A0A3Q0KJ74_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJ74, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 685 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
1M41.7Very low76.6Confident224 Ų22493.4 Ų93.4100%1.10350%0.498SS*.  0116.30-69.6174.6173.700106.3T3M1-T3 PolarHBondContact O-N 2.98Å
2T49.5Very low78.2Confident131 Ų13185.8 Ų85.880%0.80446%0.458SS*.  trans-63.6113.6175.341.90000107.5E4T2-E4 VanDerWaalsContact C-N 3.32Å; T2-E4 PolarHBondContact O-N 3.33Å
3T59.2Low79.5Confident129 Ų12979.4 Ų79.479%0.79142%0.424SS*.  trans-6498.8169.146.10000106.7M1M1-T3 PolarHBondContact O-N 2.98Å
4E73Confident80.6Confident120 Ų12078.1 Ų78.156%0.56141%0.41SS*.  trans-57.8142.7172.2-68.1-179.1172.200109T2 L9T2-E4 VanDerWaalsContact C-N 3.32Å; T2-E4 PolarHBondContact O-N 3.33Å; E4-L9 HydrophobicContact CB-CD1 3.71Å; E4-L9 HydrophobicContact CB-CG 3.97Å; E4-L9 WeakPolarHBondContact OE2-CD2 3.41Å; E4-L9 WeakPolarHBondContact OE2-CG 3.11Å
5D83.1Confident81.6Confident85 Ų8574.2 Ų74.246%0.45539%0.389SS..  trans-58.2125.2-178.3-179.4-5.6000109.3K7 V8 L9D5-K7 PolarHBondContact O-N 2.83Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.28Å; D5-K7 PolarHBondContact OD1-N 2.8Å; D5-V8 HydrophobicContact CB-CB 4.46Å; D5-V8 HydrophobicContact CB-CG2 4Å; D5-V8 WeakPolarHBondContact O-CB 3.43Å; D5-V8 PolarHBondContact O-N 3.24Å; D5-L9 PolarHBondContact O-N 3.26Å
6P83.7Confident82.4Confident18 Ų1869.6 Ų69.612%0.11737%0.365CS..Hα-helixtrans-54.8-29.717822.9-36.1000113.1V8 L9 Y10 Y14 F383P6-V8 PolarHBondContact O-N 2.92Å; P6-L9 PolarHBondContact O-N 3.1Å; P6-Y10 CarbonylContact O-C 3.13Å; P6-Y10 WeakPolarHBondContact O-CA 3.39Å; P6-Y10 PolarHBondContact O-N 3.34Å; P6-Y14 HydrophobicContact CB-CD2 4.39Å; P6-Y14 HydrophobicContact CG-CD2 4.28Å; P6-Y14 HydrophobicContact CG-CE2 4.39Å; P6-F383 HydrophobicContact CB-CB 3.5Å; P6-F383 HydrophobicContact CB-CD2 3.53Å; P6-F383 HydrophobicContact CB-CE2 4.48Å; P6-F383 HydrophobicContact CB-CG 3.66Å; P6-F383 HydrophobicContact CG-CD2 4.35Å
7K87.2Confident83Confident94 Ų9467.2 Ų67.241%0.40935%0.35SS..Hα-helixtrans-64.4-29175.1-171.2174.5-177.2175.60112.9D5 P11 Y14D5-K7 PolarHBondContact O-N 2.83Å; D5-K7 VanDerWaalsContact O-N 3.09Å; D5-K7 WeakPolarHBondContact OD1-CB 3.28Å; D5-K7 PolarHBondContact OD1-N 2.8Å; K7-P11 VanDerWaalsContact O-CA 3.24Å; K7-P11 WeakPolarHBondContact O-CA 3.32Å; K7-P11 VanDerWaalsContact O-CB 3.27Å; K7-P11 WeakPolarHBondContact O-CB 3.33Å; K7-Y14 HydrophobicContact CB-CD1 3.95Å; K7-Y14 HydrophobicContact CB-CD2 3.96Å; K7-Y14 HydrophobicContact CB-CE1 4.17Å; K7-Y14 HydrophobicContact CB-CE2 4.17Å; K7-Y14 HydrophobicContact CB-CG 3.84Å; K7-Y14 HydrophobicContact CD-CD1 3.96Å; K7-Y14 HydrophobicContact CD-CE1 3.74Å; K7-Y14 HydrophobicContact CG-CD1 3.69Å; K7-Y14 HydrophobicContact CG-CE1 3.98Å; K7-Y14 HydrophobicContact CG-CG 4.04Å
8V88.4Confident83.5Confident110 Ų11067.9 Ų67.967%0.66736%0.355SS*.Hα-helixtrans-82.6-42.3178.5177.20000110.8D5 P6D5-V8 HydrophobicContact CB-CB 4.46Å; D5-V8 HydrophobicContact CB-CG2 4Å; D5-V8 WeakPolarHBondContact O-CB 3.43Å; D5-V8 PolarHBondContact O-N 3.24Å; P6-V8 PolarHBondContact O-N 2.92Å
9L89.8Confident84Confident57 Ų5767.7 Ų67.730%0.29835%0.354SS..Hα-helixtrans-74.2-43.2-178.1-80.8176000113.2E4 D5 P6 P11 K37E4-L9 HydrophobicContact CB-CD1 3.71Å; E4-L9 HydrophobicContact CB-CG 3.97Å; E4-L9 WeakPolarHBondContact OE2-CD2 3.41Å; E4-L9 WeakPolarHBondContact OE2-CG 3.11Å; D5-L9 PolarHBondContact O-N 3.26Å; P6-L9 PolarHBondContact O-N 3.1Å; L9-P11 VanDerWaalsContact C-CD 3.5Å; L9-K37 PolarHBondContact O-NZ 2.69Å
10Y93Very high84.6Confident41 Ų4167.6 Ų67.616%0.16135%0.354CS..SBendtrans-130.663.1-174-53.9-75.6000110.4P6 L12 H13 Y14 L38 D39 P40 F383P6-Y10 CarbonylContact O-C 3.13Å; P6-Y10 WeakPolarHBondContact O-CA 3.39Å; P6-Y10 PolarHBondContact O-N 3.34Å; Y10-L12 PolarHBondContact O-N 3.4Å; Y10-H13 PolarHBondContact O-N 3.45Å; Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 2.74Å; Y10-L38 WeakPolarHBondContact CE1-O 3.39Å; Y10-D39 HydrophobicContact CD1-CB 4.48Å; Y10-P40 HydrophobicContact CD2-CG 4.48Å; Y10-P40 HydrophobicContact CE2-CG 3.65Å; Y10-F383 AromaticContact CD2-CD1 3.81Å; Y10-F383 HydrophobicContact CD2-CD1 3.81Å; Y10-F383 HydrophobicContact CD2-CE1 4.46Å; Y10-F383 HydrophobicContact CD2-CG 4.45Å; Y10-F383 HydrophobicContact CG-CD1 4.19Å; Y10-F383 HydrophobicContact CG-CE1 4.41Å
11P93.9Very high85.1Confident18 Ų1868.4 Ų68.412%0.11735%0.353CS..Hα-helixtrans-61.8-41.4-17125-35.2000112.6K7 L9 Y14 H15 L27K7-P11 VanDerWaalsContact O-CA 3.24Å; K7-P11 WeakPolarHBondContact O-CA 3.32Å; K7-P11 VanDerWaalsContact O-CB 3.27Å; K7-P11 WeakPolarHBondContact O-CB 3.33Å; L9-P11 VanDerWaalsContact C-CD 3.5Å; P11-Y14 PolarHBondContact O-N 3.05Å; P11-H15 PolarHBondContact O-CD2 2.8Å; P11-H15 PolarHBondContact O-N 3.27Å; P11-H15 VanDerWaalsContact O-N 3.16Å; P11-L27 HydrophobicContact CB-CD2 3.81Å
12L96.2Very high87.8Confident3 Ų363.2 Ų63.22%0.01633%0.327CS..Hα-helixtrans-63.9-50177.2-60.8-179.4000111.3Y10 Y14 H15 V16 L24 L27 L28 H33 D34 P45Y10-L12 PolarHBondContact O-N 3.4Å; L12-Y14 VanDerWaalsContact C-N 3.28Å; L12-Y14 PolarHBondContact O-N 2.92Å; L12-H15 PolarHBondContact O-N 3.17Å; L12-V16 WeakPolarHBondContact O-CG2 3.23Å; L12-V16 PolarHBondContact O-N 3.25Å; L12-L24 HydrophobicContact CB-CD1 4.24Å; L12-L24 HydrophobicContact CD2-CD1 3.79Å; L12-L27 HydrophobicContact CD2-CD2 3.75Å; L12-L27 HydrophobicContact CD2-CG 4.18Å; L12-L28 HydrophobicContact CD1-CD2 3.98Å; L12-L28 HydrophobicContact CD2-CD2 3.67Å; L12-L28 HydrophobicContact CD2-CG 3.97Å; L12-H33 HydrophobicContact CD1-CB 4.01Å; L12-H33 HydrophobicContact CD2-CB 4.32Å; L12-H33 HydrophobicContact CG-CB 4.08Å; L12-D34 WeakPolarHBondContact CD1-O 3.21Å; L12-P45 HydrophobicContact CB-CB 4.18Å; L12-P45 HydrophobicContact CB-CG 3.85Å; L12-P45 HydrophobicContact CD1-CG 4.19Å
13H95.3Very high90Very high2 Ų258 Ų581%0.00930%0.297CS..Hα-helixtrans-62.5-34.7177.9-5579.9000112.7Y10 V16 W17 K37 R43 P45 L48 F383Y10-H13 PolarHBondContact O-N 3.45Å; H13-V16 PolarHBondContact O-N 2.9Å; H13-W17 VanDerWaalsContact O-CB 3.31Å; H13-W17 WeakPolarHBondContact O-CB 3.49Å; H13-W17 PolarHBondContact O-N 2.8Å; H13-K37 PolarHBondContact CE1-O 3.04Å; H13-K37 PolarHBondContact NE2-O 2.94Å; H13-R43 PolarHBondContact NE2-O 3.09Å; H13-P45 WeakPolarHBondContact NE2-CD 3.25Å; H13-L48 HydrophobicContact CB-CD2 3.81Å; H13-F383 HydrophobicContact CB-CE1 3.56Å; H13-F383 HydrophobicContact CB-CZ 3.61Å
14Y94.5Very high91.7Very high61 Ų6151.8 Ų51.824%0.23926%0.259CS..Hα-helixtrans-64.3-43.4177.2-177.8-88.4000111.8P6 K7 Y10 P11 L12 W17 N18P6-Y14 HydrophobicContact CB-CD2 4.39Å; P6-Y14 HydrophobicContact CG-CD2 4.28Å; P6-Y14 HydrophobicContact CG-CE2 4.39Å; K7-Y14 HydrophobicContact CB-CD1 3.95Å; K7-Y14 HydrophobicContact CB-CD2 3.96Å; K7-Y14 HydrophobicContact CB-CE1 4.17Å; K7-Y14 HydrophobicContact CB-CE2 4.17Å; K7-Y14 HydrophobicContact CB-CG 3.84Å; K7-Y14 HydrophobicContact CD-CD1 3.96Å; K7-Y14 HydrophobicContact CD-CE1 3.74Å; K7-Y14 HydrophobicContact CG-CD1 3.69Å; K7-Y14 HydrophobicContact CG-CE1 3.98Å; K7-Y14 HydrophobicContact CG-CG 4.04Å; Y10-Y14 WeakPolarHBondContact O-CB 3.36Å; Y10-Y14 PolarHBondContact O-N 2.74Å; P11-Y14 PolarHBondContact O-N 3.05Å; L12-Y14 VanDerWaalsContact C-N 3.28Å; L12-Y14 PolarHBondContact O-N 2.92Å; Y14-W17 PolarHBondContact O-N 2.8Å; Y14-N18 WeakPolarHBondContact CE1-ND2 3.04Å; Y14-N18 PolarHBondContact O-N 2.87Å; Y14-N18 PolarHBondContact O-ND2 3.14Å
15H95.2Very high92.8Very high20 Ų2048.6 Ų48.69%0.09325%0.246CC..Hα-helixtrans-68.1-39.1174.8-75.6-70.3000111.8P11 L12 W17 N18 N19 D20 A23 L24P11-H15 PolarHBondContact O-CD2 2.8Å; P11-H15 PolarHBondContact O-N 3.27Å; P11-H15 VanDerWaalsContact O-N 3.16Å; L12-H15 PolarHBondContact O-N 3.17Å; H15-W17 PolarHBondContact O-N 3.23Å; H15-N18 PolarHBondContact O-N 2.96Å; H15-N19 PolarHBondContact O-N 3.05Å; H15-D20 IonicContact CE1-OD2 3.77Å; H15-D20 IonicContact ND1-OD2 3.1Å; H15-D20 PolarHBondContact ND1-OD2 3.22Å; H15-D20 PolarHBondContact O-N 3.06Å; H15-A23 VanDerWaalsContact CE1-CB 3.45Å; H15-A23 WeakPolarHBondContact CE1-CB 3.48Å; H15-A23 WeakPolarHBondContact ND1-CB 3.3Å; H15-L24 HydrophobicContact CB-CB 4.07Å; H15-L24 HydrophobicContact CB-CD1 4.26Å
16V94.9Very high93.3Very high0 Ų051.1 Ų51.10%026%0.255CS..Hα-helixtrans-59.4-46.5172.7169.50000111.4L12 H13 N18 N19 L24 P45 L48 C49 H54 L61L12-V16 WeakPolarHBondContact O-CG2 3.23Å; L12-V16 PolarHBondContact O-N 3.25Å; H13-V16 PolarHBondContact O-N 2.9Å; V16-N18 PolarHBondContact O-N 3.43Å; V16-N19 PolarHBondContact O-N 3.42Å; V16-L24 HydrophobicContact CG2-CD1 4.27Å; V16-L24 HydrophobicContact CG2-CD2 3.73Å; V16-P45 HydrophobicContact CG2-CB 4.27Å; V16-L48 HydrophobicContact CB-CD2 4.42Å; V16-L48 HydrophobicContact CG1-CB 4.08Å; V16-L48 HydrophobicContact CG1-CD2 4.07Å; V16-L48 HydrophobicContact CG1-CG 3.82Å; V16-C49 HydrophobicContact CG1-CB 3.55Å; V16-H54 PolarHBondContact O-CE1 3.4Å; V16-H54 VanDerWaalsContact O-CE1 3.28Å; V16-H54 PolarHBondContact O-ND1 2.73Å; V16-L61 HydrophobicContact CG2-CD1 3.91Å
17W92.4Very high93.8Very high29 Ų2951.3 Ų51.311%0.1126%0.255CS..Hα-helixtrans-57.5-38.7-180178.6-81.6000112.2H13 Y14 H15 N19 L48 L52 I377 A379 Y382 F383 I396H13-W17 VanDerWaalsContact O-CB 3.31Å; H13-W17 WeakPolarHBondContact O-CB 3.49Å; H13-W17 PolarHBondContact O-N 2.8Å; Y14-W17 PolarHBondContact O-N 2.8Å; H15-W17 PolarHBondContact O-N 3.23Å; W17-N19 VanDerWaalsContact C-N 3.3Å; W17-L48 HydrophobicContact CE3-CD1 4.45Å; W17-L52 HydrophobicContact CE3-CD1 4.09Å; W17-I377 HydrophobicContact CH2-CB 4.44Å; W17-I377 HydrophobicContact CH2-CG2 4.16Å; W17-I377 VanDerWaalsContact CZ2-O 3.32Å; W17-I377 WeakPolarHBondContact CZ2-O 3.41Å; W17-A379 HydrophobicContact CD2-CB 4.45Å; W17-A379 HydrophobicContact CG-CB 4.17Å; W17-Y382 AromaticContact CE3-CD1 3.82Å; W17-Y382 HydrophobicContact CE3-CD1 3.82Å; W17-Y382 HydrophobicContact CE3-CD2 4.35Å; W17-Y382 HydrophobicContact CE3-CE1 4.19Å; W17-Y382 AromaticContact CE3-CG 3.88Å; W17-Y382 HydrophobicContact CE3-CG 3.88Å; W17-Y382 HydrophobicContact CH2-CD2 4.11Å; W17-Y382 HydrophobicContact CH2-CG 4Å; W17-Y382 AromaticContact CZ3-CD1 3.84Å; W17-Y382 HydrophobicContact CZ3-CD1 3.84Å; W17-Y382 AromaticContact CZ3-CD2 3.54Å; W17-Y382 HydrophobicContact CZ3-CD2 3.54Å; W17-Y382 HydrophobicContact CZ3-CE1 4.27Å; W17-Y382 AromaticContact CZ3-CE2 3.99Å; W17-Y382 HydrophobicContact CZ3-CE2 3.99Å; W17-Y382 AromaticContact CZ3-CG 3.42Å; W17-Y382 HydrophobicContact CZ3-CG 3.42Å; W17-Y382 VanDerWaalsContact CZ3-CG 3.42Å; W17-F383 HydrophobicContact CB-CE2 4.29Å; W17-F383 HydrophobicContact CB-CZ 4.44Å; W17-F383 HydrophobicContact CG-CE2 4.44Å; W17-I396 HydrophobicContact CZ3-CD1 4.33Å
18N92.5Very high94.2Very high81 Ų8147.4 Ų47.443%0.43324%0.238SC..THydrogen-bonded Turntrans-87.44.1179.1-63.7-55000113.6Y14 H15 V16 D20Y14-N18 WeakPolarHBondContact CE1-ND2 3.04Å; Y14-N18 PolarHBondContact O-N 2.87Å; Y14-N18 PolarHBondContact O-ND2 3.14Å; H15-N18 PolarHBondContact O-N 2.96Å; V16-N18 PolarHBondContact O-N 3.43Å; N18-D20 PolarHBondContact O-N 3.02Å
19N93.3Very high94.4Very high64 Ų6447.4 Ų47.434%0.34223%0.231SC..THydrogen-bonded Turntrans51.733.1-171.8-159.117.9000113.9H15 V16 W17 Y21 S57H15-N19 PolarHBondContact O-N 3.05Å; V16-N19 PolarHBondContact O-N 3.42Å; W17-N19 VanDerWaalsContact C-N 3.3Å; N19-Y21 VanDerWaalsContact C-N 3.3Å; N19-Y21 WeakPolarHBondContact O-CD1 3.2Å; N19-Y21 PolarHBondContact O-N 3.45Å; N19-Y21 VanDerWaalsContact O-N 3.14Å; N19-S57 PolarHBondContact OD1-OG 3.02Å; N19-S57 VanDerWaalsContact OD1-OG 3.07Å
20D95.3Very high94.5Very high65 Ų6549.3 Ų49.335%0.34824%0.238SC..  trans-89.269.4179.5-174.95.9000110.1H15 N18 M22 A23 L24H15-D20 IonicContact CE1-OD2 3.77Å; H15-D20 IonicContact ND1-OD2 3.1Å; H15-D20 PolarHBondContact ND1-OD2 3.22Å; H15-D20 PolarHBondContact O-N 3.06Å; N18-D20 PolarHBondContact O-N 3.02Å; D20-M22 PolarHBondContact O-N 2.78Å; D20-A23 VanDerWaalsContact CG-CB 3.44Å; D20-A23 PolarHBondContact O-N 2.87Å; D20-A23 WeakPolarHBondContact OD1-CB 3.37Å; D20-A23 PolarHBondContact OD1-N 2.82Å; D20-A23 WeakPolarHBondContact OD2-CB 3.2Å; D20-L24 WeakPolarHBondContact O-CB 3.23Å; D20-L24 PolarHBondContact O-N 3.15Å
21Y95.8Very high94.2Very high85 Ų8554.9 Ų54.933%0.33326%0.263SS..Hα-helixtrans-66.2-23.9-17561.3-91.7000113.2N19 D25 E56N19-Y21 VanDerWaalsContact C-N 3.3Å; N19-Y21 WeakPolarHBondContact O-CD1 3.2Å; N19-Y21 PolarHBondContact O-N 3.45Å; N19-Y21 VanDerWaalsContact O-N 3.14Å; Y21-D25 WeakPolarHBondContact O-CB 3.47Å; Y21-D25 PolarHBondContact O-N 2.95Å; Y21-E56 HydrophobicContact CD1-CB 3.87Å; Y21-E56 HydrophobicContact CD2-CB 4.22Å; Y21-E56 HydrophobicContact CE1-CB 4.26Å; Y21-E56 HydrophobicContact CG-CB 3.86Å
22M97.1Very high93.9Very high114 Ų11461.3 Ų61.356%0.56229%0.289SS*.Hα-helixtrans-71.3-51176.3-65.8-63.3-166.400111.2D20 L24 D25 E26D20-M22 PolarHBondContact O-N 2.78Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 3.42Å; M22-D25 WeakPolarHBondContact O-CB 3.24Å; M22-D25 PolarHBondContact O-N 2.8Å; M22-E26 PolarHBondContact O-N 2.94Å
23A95.1Very high93.6Very high21 Ų2164.6 Ų64.617%0.17431%0.305CS..Hα-helixtrans-67.3-32.1176.300000111.8H15 D20 D25 E26 L27H15-A23 VanDerWaalsContact CE1-CB 3.45Å; H15-A23 WeakPolarHBondContact CE1-CB 3.48Å; H15-A23 WeakPolarHBondContact ND1-CB 3.3Å; D20-A23 VanDerWaalsContact CG-CB 3.44Å; D20-A23 PolarHBondContact O-N 2.87Å; D20-A23 WeakPolarHBondContact OD1-CB 3.37Å; D20-A23 PolarHBondContact OD1-N 2.82Å; D20-A23 WeakPolarHBondContact OD2-CB 3.2Å; A23-D25 VanDerWaalsContact C-N 3.34Å; A23-E26 PolarHBondContact O-N 3.45Å; A23-L27 VanDerWaalsContact O-CB 3.23Å; A23-L27 WeakPolarHBondContact O-CB 3.48Å; A23-L27 PolarHBondContact O-N 2.8Å
24L96.1Very high93.5Very high0 Ų069.4 Ų69.40%033%0.33CS..Hα-helixtrans-58.6-46.4171.3-177.362.3000111.2L12 H15 V16 D20 M22 L27 L28 V60 L61L12-L24 HydrophobicContact CB-CD1 4.24Å; L12-L24 HydrophobicContact CD2-CD1 3.79Å; H15-L24 HydrophobicContact CB-CB 4.07Å; H15-L24 HydrophobicContact CB-CD1 4.26Å; V16-L24 HydrophobicContact CG2-CD1 4.27Å; V16-L24 HydrophobicContact CG2-CD2 3.73Å; D20-L24 WeakPolarHBondContact O-CB 3.23Å; D20-L24 PolarHBondContact O-N 3.15Å; M22-L24 VanDerWaalsContact C-N 3.27Å; M22-L24 PolarHBondContact O-N 3.42Å; L24-L27 PolarHBondContact O-N 3.43Å; L24-L28 HydrophobicContact CD1-CD1 4.2Å; L24-L28 HydrophobicContact CD1-CG 4.48Å; L24-L28 HydrophobicContact CG-CD1 4.02Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 2.86Å; L24-V60 HydrophobicContact CD2-CG1 4.34Å; L24-V60 HydrophobicContact CG-CG1 4.2Å; L24-L61 HydrophobicContact CD1-CD2 4.47Å; L24-L61 HydrophobicContact CD2-CD1 4.27Å; L24-L61 HydrophobicContact CD2-CD2 4.43Å; L24-L61 HydrophobicContact CD2-CG 3.99Å
25D95.9Very high93.5Very high53 Ų5368 Ų6828%0.28333%0.327SS..Hα-helixtrans-62.8-48.2178.2-167.735.2000111.4Y21 M22 A23 L27 L28 H29 V60 H64Y21-D25 WeakPolarHBondContact O-CB 3.47Å; Y21-D25 PolarHBondContact O-N 2.95Å; M22-D25 WeakPolarHBondContact O-CB 3.24Å; M22-D25 PolarHBondContact O-N 2.8Å; A23-D25 VanDerWaalsContact C-N 3.34Å; D25-L27 VanDerWaalsContact C-N 3.26Å; D25-L27 PolarHBondContact O-N 3.42Å; D25-L28 PolarHBondContact O-N 3.4Å; D25-H29 PolarHBondContact O-N 3.28Å; D25-H29 PolarHBondContact O-ND1 3.32Å; D25-H29 IonicContact OD1-CE1 2.67Å; D25-H29 PolarHBondContact OD1-CE1 2.95Å; D25-H29 IonicContact OD1-ND1 2.65Å; D25-H29 PolarHBondContact OD1-ND1 3.19Å; D25-H29 IonicContact OD2-CE1 2.83Å; D25-H29 PolarHBondContact OD2-CE1 3.4Å; D25-H29 IonicContact OD2-ND1 3.06Å; D25-V60 HydrophobicContact CB-CG1 3.71Å; D25-V60 HydrophobicContact CB-CG2 4.31Å; D25-H64 IonicContact OD1-CD2 3.92Å; D25-H64 IonicContact OD1-CE1 3.96Å; D25-H64 IonicContact OD1-NE2 2.69Å; D25-H64 PolarHBondContact OD1-NE2 2.98Å
26E94.7Very high93.6Very high137 Ų13769.5 Ų69.564%0.6433%0.334SS*.Hα-helixtrans-57.2-39.9175.9-71.7-177.9-176.800112.5M22 A23M22-E26 PolarHBondContact O-N 2.94Å; A23-E26 PolarHBondContact O-N 3.45Å
27L93.7Very high93.6Very high23 Ų2373.8 Ų73.812%0.1235%0.352CS..Hα-helixtrans-70.9-39.9-179.2-171.264.4000112.1P11 L12 A23 L24 D25 Q30 H33P11-L27 HydrophobicContact CB-CD2 3.81Å; L12-L27 HydrophobicContact CD2-CD2 3.75Å; L12-L27 HydrophobicContact CD2-CG 4.18Å; A23-L27 VanDerWaalsContact O-CB 3.23Å; A23-L27 WeakPolarHBondContact O-CB 3.48Å; A23-L27 PolarHBondContact O-N 2.8Å; L24-L27 PolarHBondContact O-N 3.43Å; D25-L27 VanDerWaalsContact C-N 3.26Å; D25-L27 PolarHBondContact O-N 3.42Å; L27-Q30 WeakPolarHBondContact O-CB 3.19Å; L27-Q30 PolarHBondContact O-N 3.29Å; L27-H33 VanDerWaalsContact CD1-NE2 3.34Å; L27-H33 WeakPolarHBondContact CD1-NE2 3.49Å
28L94.1Very high93.6Very high12 Ų1277.1 Ų77.16%0.06337%0.372CS..Hα-helixtrans-67.5-35.3177.1-72.9167.3000112.2L12 L24 D25 Q30 K31 I35 V60 L61 H64L12-L28 HydrophobicContact CD1-CD2 3.98Å; L12-L28 HydrophobicContact CD2-CD2 3.67Å; L12-L28 HydrophobicContact CD2-CG 3.97Å; L24-L28 HydrophobicContact CD1-CD1 4.2Å; L24-L28 HydrophobicContact CD1-CG 4.48Å; L24-L28 HydrophobicContact CG-CD1 4.02Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.44Å; L24-L28 PolarHBondContact O-N 2.86Å; D25-L28 PolarHBondContact O-N 3.4Å; L28-Q30 PolarHBondContact O-N 3.37Å; L28-Q30 VanDerWaalsContact O-N 3.15Å; L28-K31 PolarHBondContact O-N 3.23Å; L28-I35 HydrophobicContact CD2-CB 4.46Å; L28-I35 HydrophobicContact CD2-CD1 4.02Å; L28-I35 HydrophobicContact CD2-CG1 4.09Å; L28-V60 HydrophobicContact CD1-CG1 3.91Å; L28-L61 HydrophobicContact CD1-CD2 3.88Å; L28-H64 HydrophobicContact CB-CB 4.44Å; L28-H64 HydrophobicContact CD1-CB 4.18Å
29H93.3Very high93.5Very high109 Ų10973.6 Ų73.651%0.50535%0.353SS..Hα-helixtrans-58.2-27.3173.5-80.593.3000113.4D25 K31 H64D25-H29 PolarHBondContact O-N 3.28Å; D25-H29 PolarHBondContact O-ND1 3.32Å; D25-H29 IonicContact OD1-CE1 2.67Å; D25-H29 PolarHBondContact OD1-CE1 2.95Å; D25-H29 IonicContact OD1-ND1 2.65Å; D25-H29 PolarHBondContact OD1-ND1 3.19Å; D25-H29 IonicContact OD2-CE1 2.83Å; D25-H29 PolarHBondContact OD2-CE1 3.4Å; D25-H29 IonicContact OD2-ND1 3.06Å; H29-K31 PolarHBondContact O-N 2.97Å; H29-H64 AromaticContact CE1-CE1 3.69Å; H29-H64 AromaticContact CE1-NE2 3.76Å; H29-H64 AromaticContact ND1-CE1 3.69Å; H29-H64 AromaticContact ND1-NE2 3.83Å; H29-H64 AromaticContact NE2-CE1 3.97Å
30Q91.4Very high93.2Very high97 Ų9773 Ų7345%0.45335%0.352SS..THydrogen-bonded Turntrans-71.6-18177.1-57.7-179.834.600113.1L27 L28 K32L27-Q30 WeakPolarHBondContact O-CB 3.19Å; L27-Q30 PolarHBondContact O-N 3.29Å; L28-Q30 PolarHBondContact O-N 3.37Å; L28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-K32 HydrophobicContact CB-CD 4.24Å; Q30-K32 HydrophobicContact CB-CG 4.18Å; Q30-K32 PolarHBondContact O-N 3.25Å; Q30-K32 VanDerWaalsContact O-N 3.08Å; Q30-K32 VanDerWaalsContact OE1-NZ 3.15Å
31K86.5Confident92.7Very high158 Ų15872 Ų7269%0.68735%0.345SS*.THydrogen-bonded Turntrans52.426.8-178.2-59.3-175.3177.1-174.70114.8L28 H29L28-K31 PolarHBondContact O-N 3.23Å; H29-K31 PolarHBondContact O-N 2.97Å
32K88.6Confident92.4Very high154 Ų15469.5 Ų69.567%0.6735%0.346SS*.  trans-90.6-17.5179.4-69.3176.8-172.8161.20113.4Q30Q30-K32 HydrophobicContact CB-CD 4.24Å; Q30-K32 HydrophobicContact CB-CG 4.18Å; Q30-K32 PolarHBondContact O-N 3.25Å; Q30-K32 VanDerWaalsContact O-N 3.08Å; Q30-K32 VanDerWaalsContact OE1-NZ 3.15Å
33H89.9Confident92.1Very high72 Ų7264.8 Ų64.833%0.33332%0.322SS..SBendtrans-114.1137.4-172.9-56.9-64.9000109.7L12 L27 I35L12-H33 HydrophobicContact CD1-CB 4.01Å; L12-H33 HydrophobicContact CD2-CB 4.32Å; L12-H33 HydrophobicContact CG-CB 4.08Å; L27-H33 VanDerWaalsContact CD1-NE2 3.34Å; L27-H33 WeakPolarHBondContact CD1-NE2 3.49Å; H33-I35 PolarHBondContact O-N 3.41Å
34D93.1Very high92.1Very high103 Ų10364.2 Ų64.255%0.55132%0.316SS*.  trans-70118171.8177.911.5000109.5L12 E36 K37L12-D34 WeakPolarHBondContact CD1-O 3.21Å; D34-E36 PolarHBondContact O-N 3.27Å; D34-E36 PolarHBondContact OD1-N 3.47Å; D34-K37 HydrophobicContact CB-CB 4.22Å; D34-K37 WeakPolarHBondContact O-CB 3.47Å; D34-K37 PolarHBondContact O-N 2.97Å
35I95.6Very high92.1Very high31 Ų3164.2 Ų64.216%0.15932%0.316CS..THydrogen-bonded Turntrans-68.8-21.3-178.7-164.4168000112.4L28 H33 P45 L61 H64 A66L28-I35 HydrophobicContact CD2-CB 4.46Å; L28-I35 HydrophobicContact CD2-CD1 4.02Å; L28-I35 HydrophobicContact CD2-CG1 4.09Å; H33-I35 PolarHBondContact O-N 3.41Å; I35-P45 WeakPolarHBondContact O-CD 3.49Å; I35-P45 WeakPolarHBondContact O-CG 3.32Å; I35-L61 HydrophobicContact CD1-CD2 4.1Å; I35-L61 HydrophobicContact CG1-CD2 3.89Å; I35-H64 HydrophobicContact CD1-CB 3.87Å; I35-A66 HydrophobicContact CD1-CB 3.73Å; I35-A66 HydrophobicContact CG1-CB 4.03Å
36E95.3Very high92.2Very high52 Ų5261.8 Ų61.824%0.24330%0.303CS..THydrogen-bonded Turntrans-102.39.1179.9-59.2-54.3139.200112.7D34 L38 A66 N67D34-E36 PolarHBondContact O-N 3.27Å; D34-E36 PolarHBondContact OD1-N 3.47Å; E36-L38 PolarHBondContact O-N 2.96Å; E36-A66 VanDerWaalsContact OE1-CA 3.32Å; E36-A66 WeakPolarHBondContact OE1-CA 3.4Å; E36-N67 PolarHBondContact OE1-N 3.49Å
37K94.8Very high92.2Very high89 Ų8955.4 Ų55.439%0.38727%0.273SS..  trans-55.5134.5177.7-173.2174.6-177.5-1770110L9 H13 D34 P45L9-K37 PolarHBondContact O-NZ 2.69Å; H13-K37 PolarHBondContact CE1-O 3.04Å; H13-K37 PolarHBondContact NE2-O 2.94Å; D34-K37 HydrophobicContact CB-CB 4.22Å; D34-K37 WeakPolarHBondContact O-CB 3.47Å; D34-K37 PolarHBondContact O-N 2.97Å; K37-P45 WeakPolarHBondContact O-CD 3.34Å
38L93.5Very high92.2Very high99 Ų9954.3 Ų54.352%0.51827%0.268SS..  trans-85.9139.5177.1-56.9-178.9000111Y10 E36 R43 T44Y10-L38 WeakPolarHBondContact CE1-O 3.39Å; E36-L38 PolarHBondContact O-N 2.96Å; L38-R43 WeakPolarHBondContact CA-O 3.42Å; L38-T44 HydrophobicContact CD2-CG2 3.69Å
39D90.2Very high92.2Very high7 Ų753.7 Ų53.74%0.03727%0.265CS..  trans-76.8178.7168.887.4-31.1000111.3Y10 H41 G42 R43 Y382 F383Y10-D39 HydrophobicContact CD1-CB 4.48Å; D39-H41 PolarHBondContact O-N 3.42Å; D39-H41 WeakPolarHBondContact OD1-CA 3.31Å; D39-H41 WeakPolarHBondContact OD1-CB 3.47Å; D39-H41 PolarHBondContact OD1-N 3.05Å; D39-H41 IonicContact OD2-CE1 3.94Å; D39-H41 IonicContact OD2-CG 3.69Å; D39-H41 IonicContact OD2-ND1 2.87Å; D39-H41 PolarHBondContact OD2-ND1 3.33Å; D39-G42 PolarHBondContact O-N 3.21Å; D39-G42 PolarHBondContact OD1-N 2.85Å; D39-R43 PolarHBondContact N-O 2.87Å; D39-R43 WeakPolarHBondContact OD1-CA 3.3Å; D39-R43 WeakPolarHBondContact OD1-CB 3.32Å; D39-R43 PolarHBondContact OD1-N 2.97Å; D39-Y382 WeakPolarHBondContact OD2-CE1 3.09Å; D39-Y382 PolarHBondContact OD2-OH 2.82Å; D39-F383 HydrophobicContact CB-CE1 4.44Å
40P87Confident92.2Very high51 Ų5148.5 Ų48.533%0.33124%0.241SC..THydrogen-bonded Turntrans-57.6-15.9176.8-25.135.8000115.3Y10Y10-P40 HydrophobicContact CD2-CG 4.48Å; Y10-P40 HydrophobicContact CE2-CG 3.65Å
41H85.3Confident92.2Very high44 Ų4444.4 Ų44.420%0.20422%0.222CC..THydrogen-bonded Turntrans-103.36.9179.8-48.497.5000113.2D39 R43 Y382 L393D39-H41 PolarHBondContact O-N 3.42Å; D39-H41 WeakPolarHBondContact OD1-CA 3.31Å; D39-H41 WeakPolarHBondContact OD1-CB 3.47Å; D39-H41 PolarHBondContact OD1-N 3.05Å; D39-H41 IonicContact OD2-CE1 3.94Å; D39-H41 IonicContact OD2-CG 3.69Å; D39-H41 IonicContact OD2-ND1 2.87Å; D39-H41 PolarHBondContact OD2-ND1 3.33Å; H41-R43 HydrophobicContact CB-CG 4.42Å; H41-R43 VanDerWaalsContact CB-NH1 3.3Å; H41-Y382 AromaticContact CE1-CD2 3.37Å; H41-Y382 WeakPolarHBondContact CE1-CD2 3.48Å; H41-Y382 AromaticContact CE1-CE1 3.88Å; H41-Y382 AromaticContact CE1-CE2 3.2Å; H41-Y382 WeakPolarHBondContact CE1-CE2 3.46Å; H41-Y382 AromaticContact CE1-CG 3.81Å; H41-Y382 AromaticContact CE1-CZ 3.5Å; H41-Y382 PolarHBondContact CE1-O 2.65Å; H41-Y382 AromaticContact ND1-CE1 3.75Å; H41-Y382 AromaticContact ND1-CE2 3.37Å; H41-Y382 WeakPolarHBondContact ND1-CE2 3.37Å; H41-Y382 AromaticContact ND1-CZ 3.25Å; H41-Y382 PolarHBondContact ND1-OH 2.9Å; H41-L393 WeakPolarHBondContact NE2-CD1 3.32Å
42G88.3Confident92.4Very high33 Ų3337.4 Ų37.434%0.3419%0.192SC..SBendtrans74.722.8-178.200000114.2D39D39-G42 PolarHBondContact O-N 3.21Å; D39-G42 PolarHBondContact OD1-N 2.85Å
43R92Very high92.6Very high15 Ų1531.8 Ų31.86%0.05717%0.169CC..  trans-99.3135.7177-60.6-175.8-175.9103.8-7.2111H13 L38 D39 H41 M47 Y382 L393H13-R43 PolarHBondContact NE2-O 3.09Å; L38-R43 WeakPolarHBondContact CA-O 3.42Å; D39-R43 PolarHBondContact N-O 2.87Å; D39-R43 WeakPolarHBondContact OD1-CA 3.3Å; D39-R43 WeakPolarHBondContact OD1-CB 3.32Å; D39-R43 PolarHBondContact OD1-N 2.97Å; H41-R43 HydrophobicContact CB-CG 4.42Å; H41-R43 VanDerWaalsContact CB-NH1 3.3Å; R43-M47 HydrophobicContact CB-CB 4.17Å; R43-M47 HydrophobicContact CB-CG 4.14Å; R43-M47 HydrophobicContact CG-CG 4.03Å; R43-Y382 PolarHBondContact NH1-OH 3.11Å; R43-L393 PolarHBondContact NH2-O 2.97Å
44T95.5Very high92.9Very high10 Ų1030 Ų306%0.06116%0.161CC..  trans-70.8161.5164.663.60000110L38 L46 M47 L48 V70L38-T44 HydrophobicContact CD2-CG2 3.69Å; T44-L46 PolarHBondContact O-N 2.89Å; T44-M47 PolarHBondContact O-N 2.82Å; T44-M47 VanDerWaalsContact O-N 3.13Å; T44-M47 PolarHBondContact OG1-N 3.17Å; T44-M47 VanDerWaalsContact OG1-N 3.11Å; T44-L48 PolarHBondContact O-N 2.79Å; T44-V70 HydrophobicContact CG2-CG1 4.04Å
45P96.4Very high92.9Very high0 Ų026.4 Ų26.40%014%0.142CC..Hα-helixtrans-54-36.7172.7-24.734.4000112.3L12 H13 V16 I35 K37 L48 C49 L61L12-P45 HydrophobicContact CB-CB 4.18Å; L12-P45 HydrophobicContact CB-CG 3.85Å; L12-P45 HydrophobicContact CD1-CG 4.19Å; H13-P45 WeakPolarHBondContact NE2-CD 3.25Å; V16-P45 HydrophobicContact CG2-CB 4.27Å; I35-P45 WeakPolarHBondContact O-CD 3.49Å; I35-P45 WeakPolarHBondContact O-CG 3.32Å; K37-P45 WeakPolarHBondContact O-CD 3.34Å; P45-L48 PolarHBondContact O-N 3.15Å; P45-C49 PolarHBondContact O-N 2.82Å; P45-L61 HydrophobicContact CB-CD1 3.9Å; P45-L61 HydrophobicContact CB-CD2 3.95Å
46L97.3Very high93Very high1 Ų128 Ų281%0.00515%0.149CC..Hα-helixtrans-68.4-44.7176.7-175.671.8000111.8T44 L48 C49 I50 A58 L61 L62 A66 N67 A68 I94T44-L46 PolarHBondContact O-N 2.89Å; L46-L48 PolarHBondContact O-N 2.85Å; L46-C49 PolarHBondContact O-N 3.12Å; L46-C49 PolarHBondContact O-SG 2.92Å; L46-I50 HydrophobicContact CG-CD1 4.07Å; L46-I50 VanDerWaalsContact O-CG1 3.28Å; L46-I50 WeakPolarHBondContact O-CG1 3.28Å; L46-I50 PolarHBondContact O-N 3.37Å; L46-I50 VanDerWaalsContact O-N 3.08Å; L46-A58 HydrophobicContact CD1-CB 4.28Å; L46-L61 HydrophobicContact CB-CD1 4.39Å; L46-L61 HydrophobicContact CD1-CB 4.18Å; L46-L62 HydrophobicContact CD1-CD1 4.41Å; L46-L62 HydrophobicContact CD1-CD2 3.99Å; L46-L62 HydrophobicContact CD1-CG 3.83Å; L46-L62 HydrophobicContact CD2-CD2 3.81Å; L46-A66 HydrophobicContact CB-CB 4.23Å; L46-A66 HydrophobicContact CD2-CB 4.24Å; L46-N67 VanDerWaalsContact CD2-O 3.23Å; L46-N67 WeakPolarHBondContact CD2-O 3.28Å; L46-A68 HydrophobicContact CD2-CB 4.36Å; L46-I94 HydrophobicContact CD1-CD1 4.35Å
47M95.1Very high93Very high3 Ų325.5 Ų25.52%0.01514%0.137CC..Hα-helixtrans-61.2-38.4176.2-178.559.17300111.2R43 T44 I50 V51 V70 T72 A78 E81R43-M47 HydrophobicContact CB-CB 4.17Å; R43-M47 HydrophobicContact CB-CG 4.14Å; R43-M47 HydrophobicContact CG-CG 4.03Å; T44-M47 PolarHBondContact O-N 2.82Å; T44-M47 VanDerWaalsContact O-N 3.13Å; T44-M47 PolarHBondContact OG1-N 3.17Å; T44-M47 VanDerWaalsContact OG1-N 3.11Å; M47-I50 PolarHBondContact O-N 2.83Å; M47-V51 WeakPolarHBondContact O-CG2 3.33Å; M47-V51 PolarHBondContact O-N 3.04Å; M47-V51 HydrophobicContact SD-CG2 4.22Å; M47-V70 HydrophobicContact CE-CG2 4.12Å; M47-T72 HydrophobicContact CE-CG2 3.64Å; M47-T72 HydrophobicContact CG-CG2 4.05Å; M47-T72 HydrophobicContact SD-CG2 3.67Å; M47-A78 HydrophobicContact CE-CB 4.19Å; M47-E81 HydrophobicContact CE-CG 4.43Å; M47-E81 HydrophobicContact SD-CB 4.17Å; M47-E81 HydrophobicContact SD-CG 3.81Å
48L93.5Very high93.1Very high0 Ų021.3 Ų21.30%012%0.119CC..Hα-helixtrans-63.9-44.3176.4-178.356.8000112.4H13 V16 W17 T44 P45 L46 I50 V51 L52 Y382 F383 I396H13-L48 HydrophobicContact CB-CD2 3.81Å; V16-L48 HydrophobicContact CB-CD2 4.42Å; V16-L48 HydrophobicContact CG1-CB 4.08Å; V16-L48 HydrophobicContact CG1-CD2 4.07Å; V16-L48 HydrophobicContact CG1-CG 3.82Å; W17-L48 HydrophobicContact CE3-CD1 4.45Å; T44-L48 PolarHBondContact O-N 2.79Å; P45-L48 PolarHBondContact O-N 3.15Å; L46-L48 PolarHBondContact O-N 2.85Å; L48-I50 VanDerWaalsContact C-N 3.28Å; L48-I50 PolarHBondContact O-N 2.74Å; L48-V51 PolarHBondContact O-N 2.96Å; L48-L52 HydrophobicContact CD1-CD1 3.73Å; L48-L52 HydrophobicContact CD1-CG 4.07Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.9Å; L48-L52 VanDerWaalsContact O-N 3.14Å; L48-Y382 HydrophobicContact CD1-CE1 4.23Å; L48-Y382 VanDerWaalsContact CD1-OH 3.29Å; L48-Y382 WeakPolarHBondContact CD1-OH 3.36Å; L48-Y382 HydrophobicContact CD2-CE1 4.22Å; L48-F383 HydrophobicContact CD2-CZ 4.41Å; L48-I396 HydrophobicContact CD1-CD1 3.45Å; L48-I396 VanDerWaalsContact CD1-CD1 3.45Å
49C93.4Very high93.3Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-66.2-32.9178.971.90000112V16 P45 L46 D53 H54 A58V16-C49 HydrophobicContact CG1-CB 3.55Å; P45-C49 PolarHBondContact O-N 2.82Å; L46-C49 PolarHBondContact O-N 3.12Å; L46-C49 PolarHBondContact O-SG 2.92Å; C49-D53 PolarHBondContact O-N 2.78Å; C49-D53 VanDerWaalsContact O-N 3.09Å; C49-H54 HydrophobicContact CB-CB 4.13Å; C49-H54 PolarHBondContact O-N 2.66Å; C49-A58 HydrophobicContact CB-CB 4.49Å; C49-A58 WeakPolarHBondContact SG-CA 3.24Å; C49-A58 WeakPolarHBondContact SG-CB 3.45Å
50I94.2Very high93.6Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-66.8-49.6176.3-67.3165.9000110.5L46 M47 L48 L52 D53 A78 E81 A82 T85 L90 I94L46-I50 HydrophobicContact CG-CD1 4.07Å; L46-I50 VanDerWaalsContact O-CG1 3.28Å; L46-I50 WeakPolarHBondContact O-CG1 3.28Å; L46-I50 PolarHBondContact O-N 3.37Å; L46-I50 VanDerWaalsContact O-N 3.08Å; M47-I50 PolarHBondContact O-N 2.83Å; L48-I50 VanDerWaalsContact C-N 3.28Å; L48-I50 PolarHBondContact O-N 2.74Å; I50-L52 PolarHBondContact O-N 2.93Å; I50-D53 PolarHBondContact O-N 3.38Å; I50-A78 HydrophobicContact CD1-CB 3.63Å; I50-E81 HydrophobicContact CG2-CB 3.72Å; I50-A82 HydrophobicContact CG2-CB 3.99Å; I50-A82 VanDerWaalsContact CG2-N 3.32Å; I50-T85 WeakPolarHBondContact O-CG2 3.32Å; I50-L90 HydrophobicContact CG1-CD1 4.47Å; I50-L90 HydrophobicContact CG2-CD2 4.38Å; I50-I94 HydrophobicContact CD1-CD1 3.69Å; I50-I94 HydrophobicContact CD1-CG1 3.94Å; I50-I94 HydrophobicContact CG1-CD1 3.95Å; I50-I94 HydrophobicContact CG1-CG1 4.17Å
51V90.9Very high94Very high11 Ų1117.6 Ų17.67%0.0679%0.091CC..Hα-helixtrans-62.9-29.6-178.6172.90000112.2M47 L48 I396 G397M47-V51 WeakPolarHBondContact O-CG2 3.33Å; M47-V51 PolarHBondContact O-N 3.04Å; M47-V51 HydrophobicContact SD-CG2 4.22Å; L48-V51 PolarHBondContact O-N 2.96Å; V51-I396 HydrophobicContact CG1-CD1 3.96Å; V51-I396 HydrophobicContact CG1-CG1 3.85Å; V51-G397 WeakPolarHBondContact O-CA 3.29Å
52L91.4Very high94.5Very high11 Ų1115.5 Ų15.56%0.0588%0.081CC..THydrogen-bonded Turntrans-89.9-0.7176.3-64.2176.7000114.1W17 L48 I50 H54 I396W17-L52 HydrophobicContact CE3-CD1 4.09Å; L48-L52 HydrophobicContact CD1-CD1 3.73Å; L48-L52 HydrophobicContact CD1-CG 4.07Å; L48-L52 HydrophobicContact CG-CD1 3.98Å; L48-L52 WeakPolarHBondContact O-CB 3.38Å; L48-L52 WeakPolarHBondContact O-CG 3.37Å; L48-L52 PolarHBondContact O-N 2.9Å; L48-L52 VanDerWaalsContact O-N 3.14Å; I50-L52 PolarHBondContact O-N 2.93Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.97Å; L52-H54 PolarHBondContact O-N 2.86Å; L52-I396 HydrophobicContact CD2-CD1 4.19Å; L52-I396 WeakPolarHBondContact CD2-O 3.43Å; L52-I396 HydrophobicContact CG-CD1 4.46Å
53D92.8Very high94.7Very high36 Ų3621 Ų2119%0.1939%0.092CC..THydrogen-bonded Turntrans56.537.6-176.3-163.836000114.2C49 I50 L55 T85 D87 L90 Y372C49-D53 PolarHBondContact O-N 2.78Å; C49-D53 VanDerWaalsContact O-N 3.09Å; I50-D53 PolarHBondContact O-N 3.38Å; D53-L55 PolarHBondContact O-N 2.83Å; D53-T85 HydrophobicContact CB-CG2 4.3Å; D53-D87 WeakPolarHBondContact OD1-CB 3.15Å; D53-L90 WeakPolarHBondContact OD1-CD2 3.34Å; D53-Y372 HydrophobicContact CB-CD1 4.11Å; D53-Y372 HydrophobicContact CB-CD2 3.86Å; D53-Y372 HydrophobicContact CB-CE1 3.72Å; D53-Y372 HydrophobicContact CB-CE2 3.41Å; D53-Y372 VanDerWaalsContact CB-CE2 3.41Å; D53-Y372 HydrophobicContact CB-CG 4.19Å; D53-Y372 VanDerWaalsContact CG-OH 3.26Å; D53-Y372 VanDerWaalsContact OD2-CE2 3.26Å; D53-Y372 WeakPolarHBondContact OD2-CE2 3.25Å; D53-Y372 PolarHBondContact OD2-OH 2.7Å
54H94.4Very high94.8Very high33 Ų3323.4 Ų23.415%0.15310%0.104CC..  trans-90.375.2179.3-69.1177.9000111.2V16 C49 L52 E56 S57 A58V16-H54 PolarHBondContact O-CE1 3.4Å; V16-H54 VanDerWaalsContact O-CE1 3.28Å; V16-H54 PolarHBondContact O-ND1 2.73Å; C49-H54 HydrophobicContact CB-CB 4.13Å; C49-H54 PolarHBondContact O-N 2.66Å; L52-H54 VanDerWaalsContact C-N 3.29Å; L52-H54 PolarHBondContact O-CD2 2.97Å; L52-H54 PolarHBondContact O-N 2.86Å; H54-E56 PolarHBondContact O-N 3.1Å; H54-S57 PolarHBondContact O-N 3.02Å; H54-S57 VanDerWaalsContact O-N 3.17Å; H54-A58 PolarHBondContact O-N 3Å
55L95.1Very high94.6Very high28 Ų2824.6 Ų24.615%0.14712%0.118CC..Hα-helixtrans-48.7-50-175.4-179.964.1000114.3D53 A58 R59 E89 L90 L93D53-L55 PolarHBondContact O-N 2.83Å; L55-A58 WeakPolarHBondContact O-CB 3.37Å; L55-A58 PolarHBondContact O-N 3.35Å; L55-R59 PolarHBondContact O-N 2.84Å; L55-E89 HydrophobicContact CD1-CB 4.32Å; L55-E89 HydrophobicContact CD2-CB 3.98Å; L55-E89 WeakPolarHBondContact CD2-OE2 3.23Å; L55-L90 HydrophobicContact CD1-CB 4.04Å; L55-L90 HydrophobicContact CD1-CD1 4.17Å; L55-L93 HydrophobicContact CD1-CD2 3.91Å
56E96.3Very high94.5Very high65 Ų6524.6 Ų24.630%0.30412%0.118SC..Hα-helixtrans-71-34.2-176.7-68.1-52.8133.100113Y21 H54 A58 R59 V60Y21-E56 HydrophobicContact CD1-CB 3.87Å; Y21-E56 HydrophobicContact CD2-CB 4.22Å; Y21-E56 HydrophobicContact CE1-CB 4.26Å; Y21-E56 HydrophobicContact CG-CB 3.86Å; H54-E56 PolarHBondContact O-N 3.1Å; E56-A58 VanDerWaalsContact C-N 3.31Å; E56-A58 PolarHBondContact O-N 2.79Å; E56-R59 WeakPolarHBondContact O-CB 3.25Å; E56-R59 PolarHBondContact O-N 2.82Å; E56-R59 IonicContact OE1-CZ 2.91Å; E56-R59 IonicContact OE1-NE 3.88Å; E56-R59 PolarHBondContact OE1-NE 3.22Å; E56-R59 IonicContact OE1-NH2 3.11Å; E56-R59 PolarHBondContact OE1-NH2 2.92Å; E56-R59 IonicContact OE2-CZ 2.91Å; E56-R59 IonicContact OE2-NE 3.36Å; E56-R59 PolarHBondContact OE2-NE 3.11Å; E56-V60 WeakPolarHBondContact O-CG2 3.4Å; E56-V60 PolarHBondContact O-N 2.55Å
57S96.3Very high94.3Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-63.8-40171.9-65.20000111N19 H54 V60 L61N19-S57 PolarHBondContact OD1-OG 3.02Å; N19-S57 VanDerWaalsContact OD1-OG 3.07Å; H54-S57 PolarHBondContact O-N 3.02Å; H54-S57 VanDerWaalsContact O-N 3.17Å; S57-V60 PolarHBondContact O-N 3.34Å; S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 2.93Å
58A96.8Very high94.1Very high0 Ų027.5 Ų27.50%013%0.134CC..Hα-helixtrans-61.4-45.3173.700000111.4L46 C49 H54 L55 E56 V60 L61 L62 L90 L93L46-A58 HydrophobicContact CD1-CB 4.28Å; C49-A58 HydrophobicContact CB-CB 4.49Å; C49-A58 WeakPolarHBondContact SG-CA 3.24Å; C49-A58 WeakPolarHBondContact SG-CB 3.45Å; H54-A58 PolarHBondContact O-N 3Å; L55-A58 WeakPolarHBondContact O-CB 3.37Å; L55-A58 PolarHBondContact O-N 3.35Å; E56-A58 VanDerWaalsContact C-N 3.31Å; E56-A58 PolarHBondContact O-N 2.79Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 2.79Å; A58-L61 PolarHBondContact O-N 2.62Å; A58-L62 WeakPolarHBondContact O-CB 3.35Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.22Å; A58-L90 HydrophobicContact CB-CD1 3.91Å; A58-L93 HydrophobicContact CB-CD2 4.24Å
59R96.5Very high93.9Very high73 Ų7330 Ų3028%0.27515%0.151SC..Hα-helixtrans-58.7-44178.1-162.7-168.8-56.7-102.11.7111.9L55 E56 R63 L93L55-R59 PolarHBondContact O-N 2.84Å; E56-R59 WeakPolarHBondContact O-CB 3.25Å; E56-R59 PolarHBondContact O-N 2.82Å; E56-R59 IonicContact OE1-CZ 2.91Å; E56-R59 IonicContact OE1-NE 3.88Å; E56-R59 PolarHBondContact OE1-NE 3.22Å; E56-R59 IonicContact OE1-NH2 3.11Å; E56-R59 PolarHBondContact OE1-NH2 2.92Å; E56-R59 IonicContact OE2-CZ 2.91Å; E56-R59 IonicContact OE2-NE 3.36Å; E56-R59 PolarHBondContact OE2-NE 3.11Å; R59-R63 VanDerWaalsContact CD-NH2 3.32Å; R59-R63 WeakPolarHBondContact O-CB 3.3Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 2.65Å; R59-L93 HydrophobicContact CB-CD2 4.1Å
60V96.2Very high93.7Very high6 Ų630.9 Ų30.94%0.03616%0.156CC..Hα-helixtrans-62.7-51.4176.81690000110.9L24 D25 L28 E56 S57 A58 L62 R63 H64L24-V60 HydrophobicContact CD2-CG1 4.34Å; L24-V60 HydrophobicContact CG-CG1 4.2Å; D25-V60 HydrophobicContact CB-CG1 3.71Å; D25-V60 HydrophobicContact CB-CG2 4.31Å; L28-V60 HydrophobicContact CD1-CG1 3.91Å; E56-V60 WeakPolarHBondContact O-CG2 3.4Å; E56-V60 PolarHBondContact O-N 2.55Å; S57-V60 PolarHBondContact O-N 3.34Å; A58-V60 VanDerWaalsContact C-N 3.34Å; A58-V60 PolarHBondContact O-N 2.79Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.86Å; V60-R63 WeakPolarHBondContact O-CB 3.36Å; V60-R63 PolarHBondContact O-N 2.93Å; V60-H64 PolarHBondContact O-CD2 3.03Å; V60-H64 VanDerWaalsContact O-CD2 3.26Å; V60-H64 PolarHBondContact O-N 2.89Å; V60-H64 VanDerWaalsContact O-N 3.16Å
61L96.8Very high93.3Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-58.7-44.7-180-76.1164.9000112.3V16 L24 L28 I35 P45 L46 S57 A58 R63 H64 G65 A66V16-L61 HydrophobicContact CG2-CD1 3.91Å; L24-L61 HydrophobicContact CD1-CD2 4.47Å; L24-L61 HydrophobicContact CD2-CD1 4.27Å; L24-L61 HydrophobicContact CD2-CD2 4.43Å; L24-L61 HydrophobicContact CD2-CG 3.99Å; L28-L61 HydrophobicContact CD1-CD2 3.88Å; I35-L61 HydrophobicContact CD1-CD2 4.1Å; I35-L61 HydrophobicContact CG1-CD2 3.89Å; P45-L61 HydrophobicContact CB-CD1 3.9Å; P45-L61 HydrophobicContact CB-CD2 3.95Å; L46-L61 HydrophobicContact CB-CD1 4.39Å; L46-L61 HydrophobicContact CD1-CB 4.18Å; S57-L61 WeakPolarHBondContact O-CG 3.46Å; S57-L61 PolarHBondContact O-N 2.93Å; A58-L61 PolarHBondContact O-N 2.62Å; L61-R63 PolarHBondContact O-N 2.94Å; L61-H64 CarbonylContact O-C 3.56Å; L61-H64 PolarHBondContact O-N 3.06Å; L61-H64 VanDerWaalsContact O-N 3.16Å; L61-G65 PolarHBondContact O-N 3.27Å; L61-A66 HydrophobicContact CB-CB 3.86Å; L61-A66 VanDerWaalsContact O-CB 3.24Å; L61-A66 WeakPolarHBondContact O-CB 3.49Å; L61-A66 PolarHBondContact O-N 2.73Å
62L95.6Very high93.1Very high0 Ų034.7 Ų34.70%018%0.183CC..Hα-helixtrans-65.8-36.2178.8-72.5173.8000113.1L46 A58 V60 H64 G65 A68 L93 I94 H97L46-L62 HydrophobicContact CD1-CD1 4.41Å; L46-L62 HydrophobicContact CD1-CD2 3.99Å; L46-L62 HydrophobicContact CD1-CG 3.83Å; L46-L62 HydrophobicContact CD2-CD2 3.81Å; A58-L62 WeakPolarHBondContact O-CB 3.35Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.22Å; V60-L62 VanDerWaalsContact C-N 3.34Å; V60-L62 PolarHBondContact O-N 2.86Å; L62-H64 VanDerWaalsContact C-N 3.27Å; L62-H64 PolarHBondContact O-N 2.89Å; L62-G65 PolarHBondContact O-N 3.41Å; L62-A68 HydrophobicContact CD2-CB 3.94Å; L62-L93 HydrophobicContact CD1-CD1 4.14Å; L62-L93 HydrophobicContact CD1-CD2 3.99Å; L62-L93 HydrophobicContact CD1-CG 3.67Å; L62-I94 HydrophobicContact CD1-CD1 3.84Å; L62-H97 HydrophobicContact CD1-CB 4.13Å; L62-H97 HydrophobicContact CD2-CB 3.81Å; L62-H97 HydrophobicContact CG-CB 4.45Å
63R93.1Very high92.6Very high149 Ų14938.6 Ų38.656%0.56221%0.211SC*.Hα-helixtrans-62.3-34.8172.5-77.8170.2177169.5-0.1112.3R59 V60 L61 G65R59-R63 VanDerWaalsContact CD-NH2 3.32Å; R59-R63 WeakPolarHBondContact O-CB 3.3Å; R59-R63 WeakPolarHBondContact O-CG 3.5Å; R59-R63 PolarHBondContact O-N 2.65Å; V60-R63 WeakPolarHBondContact O-CB 3.36Å; V60-R63 PolarHBondContact O-N 2.93Å; L61-R63 PolarHBondContact O-N 2.94Å; R63-G65 PolarHBondContact O-N 2.72Å
64H93.7Very high92Very high65 Ų6540.3 Ų40.330%0.30122%0.216SC..THydrogen-bonded Turntrans-822.5174.4-74.5-77.1000114D25 L28 H29 I35 V60 L61 L62D25-H64 IonicContact OD1-CD2 3.92Å; D25-H64 IonicContact OD1-CE1 3.96Å; D25-H64 IonicContact OD1-NE2 2.69Å; D25-H64 PolarHBondContact OD1-NE2 2.98Å; L28-H64 HydrophobicContact CB-CB 4.44Å; L28-H64 HydrophobicContact CD1-CB 4.18Å; H29-H64 AromaticContact CE1-CE1 3.69Å; H29-H64 AromaticContact CE1-NE2 3.76Å; H29-H64 AromaticContact ND1-CE1 3.69Å; H29-H64 AromaticContact ND1-NE2 3.83Å; H29-H64 AromaticContact NE2-CE1 3.97Å; I35-H64 HydrophobicContact CD1-CB 3.87Å; V60-H64 PolarHBondContact O-CD2 3.03Å; V60-H64 VanDerWaalsContact O-CD2 3.26Å; V60-H64 PolarHBondContact O-N 2.89Å; V60-H64 VanDerWaalsContact O-N 3.16Å; L61-H64 CarbonylContact O-C 3.56Å; L61-H64 PolarHBondContact O-N 3.06Å; L61-H64 VanDerWaalsContact O-N 3.16Å; L62-H64 VanDerWaalsContact C-N 3.27Å; L62-H64 PolarHBondContact O-N 2.89Å
65G90.2Very high91.4Very high36 Ų3643.9 Ų43.937%0.37123%0.232SC..THydrogen-bonded Turntrans90.622.1173.900000115.1L61 L62 R63L61-G65 PolarHBondContact O-N 3.27Å; L62-G65 PolarHBondContact O-N 3.41Å; R63-G65 PolarHBondContact O-N 2.72Å
66A95Very high91Very high0 Ų042.7 Ų42.70%023%0.225CC..  trans-56.5140.8172.800000111.6I35 E36 L46 L61 A68 Q101I35-A66 HydrophobicContact CD1-CB 3.73Å; I35-A66 HydrophobicContact CG1-CB 4.03Å; E36-A66 VanDerWaalsContact OE1-CA 3.32Å; E36-A66 WeakPolarHBondContact OE1-CA 3.4Å; L46-A66 HydrophobicContact CB-CB 4.23Å; L46-A66 HydrophobicContact CD2-CB 4.24Å; L61-A66 HydrophobicContact CB-CB 3.86Å; L61-A66 VanDerWaalsContact O-CB 3.24Å; L61-A66 WeakPolarHBondContact O-CB 3.49Å; L61-A66 PolarHBondContact O-N 2.73Å; A66-A68 PolarHBondContact O-N 3.06Å; A66-Q101 PolarHBondContact O-NE2 3.01Å
67N92.8Very high90.6Very high63 Ų6340.9 Ų40.934%0.33722%0.219SC..  trans-74.1111.5-177.5-177.610.3000111.6E36 L46 C69 V70 Q101E36-N67 PolarHBondContact OE1-N 3.49Å; L46-N67 VanDerWaalsContact CD2-O 3.23Å; L46-N67 WeakPolarHBondContact CD2-O 3.28Å; N67-C69 VanDerWaalsContact C-N 3.31Å; N67-C69 WeakPolarHBondContact OD1-CA 3.38Å; N67-C69 VanDerWaalsContact OD1-CB 3.31Å; N67-C69 WeakPolarHBondContact OD1-CB 3.14Å; N67-C69 PolarHBondContact OD1-N 3.38Å; N67-V70 HydrophobicContact CB-CG1 3.85Å; N67-V70 VanDerWaalsContact O-CG1 3.28Å; N67-V70 WeakPolarHBondContact O-CG1 3.12Å; N67-V70 WeakPolarHBondContact O-CG2 3.46Å; N67-Q101 PolarHBondContact OD1-OE1 3.16Å
68A92Very high90.5Very high1 Ų140.9 Ų40.91%0.00822%0.219CC..THydrogen-bonded Turntrans-81-5.9175.800000113.5L46 L62 A66 V70 A78 H97 R98L46-A68 HydrophobicContact CD2-CB 4.36Å; L62-A68 HydrophobicContact CD2-CB 3.94Å; A66-A68 PolarHBondContact O-N 3.06Å; A68-V70 VanDerWaalsContact C-N 3.34Å; A68-A78 WeakPolarHBondContact O-CB 3.36Å; A68-H97 HydrophobicContact CB-CB 4.1Å; A68-R98 HydrophobicContact CB-CB 4.03Å
69C88Confident90.2Very high54 Ų5441 Ų4137%0.36522%0.22SC..THydrogen-bonded Turntrans-92.59.9175.8-57.60000113.1N67N67-C69 VanDerWaalsContact C-N 3.31Å; N67-C69 WeakPolarHBondContact OD1-CA 3.38Å; N67-C69 VanDerWaalsContact OD1-CB 3.31Å; N67-C69 WeakPolarHBondContact OD1-CB 3.14Å; N67-C69 PolarHBondContact OD1-N 3.38Å
70V88.8Confident89.9Confident18 Ų1838.5 Ų38.511%0.10921%0.211CC..  trans-67.9150.5-179.8-65.90000112.3T44 M47 N67 A68 T77 A78T44-V70 HydrophobicContact CG2-CG1 4.04Å; M47-V70 HydrophobicContact CE-CG2 4.12Å; N67-V70 HydrophobicContact CB-CG1 3.85Å; N67-V70 VanDerWaalsContact O-CG1 3.28Å; N67-V70 WeakPolarHBondContact O-CG1 3.12Å; N67-V70 WeakPolarHBondContact O-CG2 3.46Å; A68-V70 VanDerWaalsContact C-N 3.34Å; V70-T77 CarbonylContact O-C 3.58Å; V70-T77 WeakPolarHBondContact O-CA 3.4Å; V70-A78 HydrophobicContact CG2-CB 3.98Å; V70-A78 PolarHBondContact O-N 2.96Å
71S87.1Confident89.7Confident71 Ų7138.6 Ų38.650%0.49721%0.211SC..BIsolated β-bridgetrans-127149.1174.761.30000111.6W76S71-W76 CarbonylContact C-O 3.5Å; S71-W76 WeakPolarHBondContact CA-O 3.15Å
72T85.9Confident89.5Confident20 Ų2038.6 Ų38.612%0.12321%0.211CC..  trans-70.7169.617266.80000111.5M47 K74 F75 W76 E81M47-T72 HydrophobicContact CE-CG2 3.64Å; M47-T72 HydrophobicContact CG-CG2 4.05Å; M47-T72 HydrophobicContact SD-CG2 3.67Å; T72-K74 PolarHBondContact O-N 2.78Å; T72-K74 VanDerWaalsContact O-N 3.08Å; T72-K74 PolarHBondContact OG1-N 3.08Å; T72-F75 PolarHBondContact O-N 3.18Å; T72-W76 HydrophobicContact CG2-CB 4.24Å; T72-W76 PolarHBondContact N-O 3.03Å; T72-W76 WeakPolarHBondContact OG1-CB 2.92Å; T72-W76 PolarHBondContact OG1-N 2.97Å; T72-W76 PolarHBondContact OG1-O 3.18Å; T72-E81 HydrophobicContact CG2-CG 4.38Å
73S81.8Confident89.2Confident92 Ų9239.3 Ų39.364%0.64322%0.215SC*.THydrogen-bonded Turntrans-58.5-18172.656.30000114.3
74K79Confident89.1Confident72 Ų7232.4 Ų32.431%0.31319%0.19SC..THydrogen-bonded Turntrans-102.422.8175.7-60.1-172.8-174.1-178.40113.2T72 W76 D394T72-K74 PolarHBondContact O-N 2.78Å; T72-K74 VanDerWaalsContact O-N 3.08Å; T72-K74 PolarHBondContact OG1-N 3.08Å; K74-W76 PolarHBondContact O-N 3.23Å; K74-D394 WeakPolarHBondContact CE-OD2 3.22Å; K74-D394 IonicContact NZ-OD2 3.89Å; K74-D394 PolarHBondContact NZ-OD2 3.01Å
75F82Confident88.9Confident109 Ų10929.7 Ų29.748%0.47818%0.178SC..SBendtrans65.412.6177.8-49.6-78.2000115.7T72 T77 V253 Y255T72-F75 PolarHBondContact O-N 3.18Å; F75-T77 PolarHBondContact O-N 3.11Å; F75-V253 HydrophobicContact CB-CG1 4.04Å; F75-Y255 AromaticContact CD2-CD1 3.98Å; F75-Y255 HydrophobicContact CD2-CD1 3.98Å; F75-Y255 HydrophobicContact CD2-CD2 4.3Å; F75-Y255 HydrophobicContact CD2-CE1 4Å; F75-Y255 HydrophobicContact CD2-CE2 4.32Å; F75-Y255 HydrophobicContact CD2-CG 4.12Å; F75-Y255 HydrophobicContact CE2-CD1 4.45Å; F75-Y255 AromaticContact CE2-CD2 3.96Å; F75-Y255 HydrophobicContact CE2-CD2 3.96Å; F75-Y255 HydrophobicContact CE2-CE1 4.39Å; F75-Y255 AromaticContact CE2-CE2 3.9Å; F75-Y255 HydrophobicContact CE2-CE2 3.9Å; F75-Y255 HydrophobicContact CE2-CG 4.24Å
76W86.5Confident88.8Confident2 Ų229.5 Ų29.51%0.00818%0.176CC..  trans-76120.2172.1-57.2107.3000110.5S71 T72 K74 Q80 E81 I251 V253 L299 R301 M402S71-W76 CarbonylContact C-O 3.5Å; S71-W76 WeakPolarHBondContact CA-O 3.15Å; T72-W76 HydrophobicContact CG2-CB 4.24Å; T72-W76 PolarHBondContact N-O 3.03Å; T72-W76 WeakPolarHBondContact OG1-CB 2.92Å; T72-W76 PolarHBondContact OG1-N 2.97Å; T72-W76 PolarHBondContact OG1-O 3.18Å; K74-W76 PolarHBondContact O-N 3.23Å; W76-Q80 HydrophobicContact CE3-CB 4.32Å; W76-E81 HydrophobicContact CB-CG 4.02Å; W76-E81 WeakPolarHBondContact CB-OE1 3.37Å; W76-I251 HydrophobicContact CE3-CG2 4.22Å; W76-I251 HydrophobicContact CZ3-CB 4.46Å; W76-I251 HydrophobicContact CZ3-CG2 3.73Å; W76-V253 HydrophobicContact CD2-CG2 4.15Å; W76-V253 HydrophobicContact CE3-CB 4.29Å; W76-V253 HydrophobicContact CE3-CG2 3.41Å; W76-V253 VanDerWaalsContact CE3-CG2 3.41Å; W76-V253 HydrophobicContact CH2-CB 4.02Å; W76-V253 HydrophobicContact CH2-CG2 3.99Å; W76-V253 HydrophobicContact CZ3-CB 3.85Å; W76-V253 HydrophobicContact CZ3-CG2 3.32Å; W76-L299 HydrophobicContact CH2-CB 3.71Å; W76-L299 HydrophobicContact CH2-CD1 4.42Å; W76-L299 HydrophobicContact CZ2-CB 3.7Å; W76-L299 HydrophobicContact CZ2-CD1 3.71Å; W76-L299 HydrophobicContact CZ2-CG 4.36Å; W76-R301 HydrophobicContact CH2-CB 4.38Å; W76-R301 HydrophobicContact CH2-CG 3.58Å; W76-R301 HydrophobicContact CZ2-CG 3.77Å; W76-R301 HydrophobicContact CZ3-CG 4.2Å; W76-M402 HydrophobicContact CZ2-SD 3.87Å
77T89.3Confident88.7Confident27 Ų2730.9 Ų30.917%0.16618%0.184CC..BIsolated β-bridgetrans-72.2156.7175.164.20000111.3V70 F75 A79 Q80 E81V70-T77 CarbonylContact O-C 3.58Å; V70-T77 WeakPolarHBondContact O-CA 3.4Å; F75-T77 PolarHBondContact O-N 3.11Å; T77-A79 PolarHBondContact O-N 2.79Å; T77-Q80 PolarHBondContact O-N 3Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.4Å; T77-Q80 VanDerWaalsContact OG1-CG 3.26Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.31Å; T77-Q80 PolarHBondContact OG1-N 2.99Å; T77-Q80 PolarHBondContact OG1-OE1 3.15Å; T77-E81 PolarHBondContact O-N 2.97Å
78A92.5Very high88.6Confident0 Ų031 Ų310%019%0.188CC..Hα-helixtrans-52.4-39.2172.600000112.6M47 I50 A68 V70 E81 A82 I94M47-A78 HydrophobicContact CE-CB 4.19Å; I50-A78 HydrophobicContact CD1-CB 3.63Å; A68-A78 WeakPolarHBondContact O-CB 3.36Å; V70-A78 HydrophobicContact CG2-CB 3.98Å; V70-A78 PolarHBondContact O-N 2.96Å; A78-E81 PolarHBondContact O-N 2.83Å; A78-A82 WeakPolarHBondContact O-CB 3.2Å; A78-A82 PolarHBondContact O-N 3.49Å; A78-I94 HydrophobicContact CB-CG2 4.23Å
79A91.2Very high88.7Confident4 Ų436.8 Ų36.83%0.03321%0.214CC..Hα-helixtrans-66.1-40176.900000112.6T77 A82 I83 I94 L95T77-A79 PolarHBondContact O-N 2.79Å; A79-A82 PolarHBondContact O-N 3Å; A79-I83 VanDerWaalsContact O-CG1 3.3Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 2.7Å; A79-I94 HydrophobicContact CB-CG2 4.2Å; A79-L95 HydrophobicContact CB-CD2 3.98Å
80Q90.3Very high89Confident19 Ų1934.2 Ų34.29%0.08920%0.197CC..Hα-helixtrans-68.2-40.6176.1-73.8169.5-32.600111.9W76 T77 A82 I83 A84 I251 F252W76-Q80 HydrophobicContact CE3-CB 4.32Å; T77-Q80 PolarHBondContact O-N 3Å; T77-Q80 WeakPolarHBondContact OG1-CB 3.4Å; T77-Q80 VanDerWaalsContact OG1-CG 3.26Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.31Å; T77-Q80 PolarHBondContact OG1-N 2.99Å; T77-Q80 PolarHBondContact OG1-OE1 3.15Å; Q80-A82 VanDerWaalsContact C-N 3.31Å; Q80-I83 PolarHBondContact O-N 2.97Å; Q80-A84 PolarHBondContact O-N 3.32Å; Q80-I251 HydrophobicContact CB-CG2 3.86Å; Q80-I251 HydrophobicContact CG-CG2 3.66Å; Q80-I251 WeakPolarHBondContact O-CD1 3.47Å; Q80-F252 PolarHBondContact NE2-O 3.07Å; Q80-F252 VanDerWaalsContact NE2-O 3.13Å
81E91.2Very high89.2Confident8 Ų833.4 Ų33.44%0.03719%0.192CC..Hα-helixtrans-64.8-37.2173.6-69-67.2178.200111.4M47 I50 T72 W76 T77 A78 A84 T85 R301M47-E81 HydrophobicContact CE-CG 4.43Å; M47-E81 HydrophobicContact SD-CB 4.17Å; M47-E81 HydrophobicContact SD-CG 3.81Å; I50-E81 HydrophobicContact CG2-CB 3.72Å; T72-E81 HydrophobicContact CG2-CG 4.38Å; W76-E81 HydrophobicContact CB-CG 4.02Å; W76-E81 WeakPolarHBondContact CB-OE1 3.37Å; T77-E81 PolarHBondContact O-N 2.97Å; A78-E81 PolarHBondContact O-N 2.83Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 2.99Å; E81-T85 WeakPolarHBondContact O-CG2 3.4Å; E81-T85 PolarHBondContact O-N 2.89Å; E81-R301 IonicContact OE1-CZ 2.68Å; E81-R301 IonicContact OE1-NH1 2.62Å; E81-R301 PolarHBondContact OE1-NH1 2.66Å; E81-R301 IonicContact OE2-CZ 2.9Å; E81-R301 IonicContact OE2-NH1 3.9Å; E81-R301 PolarHBondContact OE2-NH1 3.31Å; E81-R301 IonicContact OE2-NH2 2.75Å; E81-R301 PolarHBondContact OE2-NH2 2.98Å
82A92.6Very high89.4Confident0 Ų033.7 Ų33.70%019%0.185CC..Hα-helixtrans-62-44.1172.900000111.6I50 A78 A79 Q80 A84 T85 L90 V91 I94I50-A82 HydrophobicContact CG2-CB 3.99Å; I50-A82 VanDerWaalsContact CG2-N 3.32Å; A78-A82 WeakPolarHBondContact O-CB 3.2Å; A78-A82 PolarHBondContact O-N 3.49Å; A79-A82 PolarHBondContact O-N 3Å; Q80-A82 VanDerWaalsContact C-N 3.31Å; A82-A84 PolarHBondContact O-N 3.01Å; A82-T85 WeakPolarHBondContact O-CB 3.46Å; A82-T85 PolarHBondContact O-N 2.82Å; A82-T85 VanDerWaalsContact O-N 3.15Å; A82-T85 PolarHBondContact O-OG1 2.85Å; A82-L90 HydrophobicContact CB-CD2 4.49Å; A82-L90 HydrophobicContact CB-CG 4.2Å; A82-V91 VanDerWaalsContact C-CG2 3.47Å; A82-V91 HydrophobicContact CB-CG2 4.09Å; A82-V91 WeakPolarHBondContact O-CG2 3.43Å; A82-I94 HydrophobicContact CB-CB 4.26Å; A82-I94 HydrophobicContact CB-CG1 3.94Å
83I91.3Very high89.7Confident15 Ų1534 Ų348%0.07719%0.185CC..Hα-helixtrans-60-38.6174.9-66.4161.8000110.7A79 Q80 T85 G86 V91 K246 L247 I251A79-I83 VanDerWaalsContact O-CG1 3.3Å; A79-I83 WeakPolarHBondContact O-CG1 3.42Å; A79-I83 PolarHBondContact O-N 2.7Å; Q80-I83 PolarHBondContact O-N 2.97Å; I83-T85 PolarHBondContact O-N 2.79Å; I83-G86 PolarHBondContact O-N 2.9Å; I83-G86 VanDerWaalsContact O-N 3.1Å; I83-V91 HydrophobicContact CB-CG2 4.46Å; I83-V91 HydrophobicContact CG1-CG1 4.23Å; I83-V91 HydrophobicContact CG1-CG2 4.04Å; I83-K246 HydrophobicContact CD1-CB 4.05Å; I83-K246 HydrophobicContact CD1-CD 4.27Å; I83-K246 HydrophobicContact CG1-CB 4.38Å; I83-K246 WeakPolarHBondContact CG2-O 3.21Å; I83-L247 HydrophobicContact CG2-CD2 4.47Å; I83-I251 HydrophobicContact CB-CD1 4.06Å; I83-I251 HydrophobicContact CB-CG1 4.37Å; I83-I251 HydrophobicContact CG2-CD1 3.84Å; I83-I251 HydrophobicContact CG2-CG1 3.85Å
84A89.9Confident90.3Very high4 Ų429.6 Ų29.63%0.03316%0.155CC..Hα-helixtrans-67.7-20.6-179.900000114Q80 E81 A82 G86 I251Q80-A84 PolarHBondContact O-N 3.32Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 2.99Å; A82-A84 PolarHBondContact O-N 3.01Å; A84-G86 VanDerWaalsContact C-N 3.31Å; A84-I251 HydrophobicContact CB-CD1 3.78Å
85T89.6Confident90.7Very high9 Ų926.4 Ų26.46%0.05514%0.141CC..Hα-helixtrans-67.6-34.6171.468.50000111.7I50 D53 E81 A82 I83 D87 L90 Y372I50-T85 WeakPolarHBondContact O-CG2 3.32Å; D53-T85 HydrophobicContact CB-CG2 4.3Å; E81-T85 WeakPolarHBondContact O-CG2 3.4Å; E81-T85 PolarHBondContact O-N 2.89Å; A82-T85 WeakPolarHBondContact O-CB 3.46Å; A82-T85 PolarHBondContact O-N 2.82Å; A82-T85 VanDerWaalsContact O-N 3.15Å; A82-T85 PolarHBondContact O-OG1 2.85Å; I83-T85 PolarHBondContact O-N 2.79Å; T85-D87 VanDerWaalsContact C-N 3.34Å; T85-D87 PolarHBondContact OG1-N 2.81Å; T85-D87 VanDerWaalsContact OG1-N 3.11Å; T85-L90 HydrophobicContact CG2-CD2 3.91Å; T85-Y372 PolarHBondContact O-OH 3.12Å
86G88.9Confident90.9Very high32 Ų3222 Ų2233%0.3312%0.123SC..THydrogen-bonded Turntrans86.1-2.1-171.200000114.3I83 A84 P88I83-G86 PolarHBondContact O-N 2.9Å; I83-G86 VanDerWaalsContact O-N 3.1Å; A84-G86 VanDerWaalsContact C-N 3.31Å; G86-P88 VanDerWaalsContact O-CD 3.27Å; G86-P88 WeakPolarHBondContact O-CD 2.86Å
87D91.7Very high91Very high29 Ų2922.7 Ų22.716%0.15513%0.126CC..  trans-81.3111.1178.8178.113.1000111.6D53 T85 E89 L90 V91D53-D87 WeakPolarHBondContact OD1-CB 3.15Å; T85-D87 VanDerWaalsContact C-N 3.34Å; T85-D87 PolarHBondContact OG1-N 2.81Å; T85-D87 VanDerWaalsContact OG1-N 3.11Å; D87-E89 VanDerWaalsContact C-N 3.29Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 PolarHBondContact OD1-N 3.09Å; D87-L90 HydrophobicContact CB-CB 3.91Å; D87-L90 PolarHBondContact O-N 2.88Å; D87-L90 WeakPolarHBondContact OD2-CB 3.46Å; D87-L90 PolarHBondContact OD2-N 3.22Å; D87-L90 VanDerWaalsContact OD2-N 3.13Å; D87-V91 WeakPolarHBondContact O-CB 3.37Å; D87-V91 VanDerWaalsContact O-CG2 3.24Å; D87-V91 WeakPolarHBondContact O-CG2 3.48Å; D87-V91 PolarHBondContact O-N 3.27Å
88P91.9Very high90.9Very high66 Ų6622.9 Ų22.943%0.42912%0.124SC..Hα-helixtrans-63-31.3177.326.9-35000113.6G86 K92 I243 L247G86-P88 VanDerWaalsContact O-CD 3.27Å; G86-P88 WeakPolarHBondContact O-CD 2.86Å; P88-K92 WeakPolarHBondContact O-CB 3.4Å; P88-K92 PolarHBondContact O-N 2.84Å; P88-I243 HydrophobicContact CB-CG2 3.94Å; P88-L247 HydrophobicContact CB-CD1 3.85Å
89E93.4Very high90.3Very high121 Ų12124 Ų2457%0.56513%0.13SC*.Hα-helixtrans-71.8-45.9-179.8-69-163.9-177.800111.1L55 D87 K92 L93L55-E89 HydrophobicContact CD1-CB 4.32Å; L55-E89 HydrophobicContact CD2-CB 3.98Å; L55-E89 WeakPolarHBondContact CD2-OE2 3.23Å; D87-E89 VanDerWaalsContact C-N 3.29Å; D87-E89 PolarHBondContact O-N 3.1Å; D87-E89 PolarHBondContact OD1-N 3.09Å; E89-K92 PolarHBondContact O-N 2.82Å; E89-L93 WeakPolarHBondContact O-CB 3.42Å; E89-L93 PolarHBondContact O-N 2.78Å
90L94.2Very high89.8Confident0 Ų023.8 Ų23.80%013%0.128CC..Hα-helixtrans-60.3-45.6173-177.861.8000111.3I50 D53 L55 A58 A82 T85 D87 K92 L93 I94I50-L90 HydrophobicContact CG1-CD1 4.47Å; I50-L90 HydrophobicContact CG2-CD2 4.38Å; D53-L90 WeakPolarHBondContact OD1-CD2 3.34Å; L55-L90 HydrophobicContact CD1-CB 4.04Å; L55-L90 HydrophobicContact CD1-CD1 4.17Å; A58-L90 HydrophobicContact CB-CD1 3.91Å; A82-L90 HydrophobicContact CB-CD2 4.49Å; A82-L90 HydrophobicContact CB-CG 4.2Å; T85-L90 HydrophobicContact CG2-CD2 3.91Å; D87-L90 HydrophobicContact CB-CB 3.91Å; D87-L90 PolarHBondContact O-N 2.88Å; D87-L90 WeakPolarHBondContact OD2-CB 3.46Å; D87-L90 PolarHBondContact OD2-N 3.22Å; D87-L90 VanDerWaalsContact OD2-N 3.13Å; L90-K92 PolarHBondContact O-N 3.29Å; L90-L93 PolarHBondContact O-N 2.89Å; L90-I94 HydrophobicContact CD1-CD1 4.26Å; L90-I94 HydrophobicContact CD1-CG1 4.07Å; L90-I94 HydrophobicContact CG-CG1 4.38Å; L90-I94 WeakPolarHBondContact O-CG1 3.49Å; L90-I94 PolarHBondContact O-N 3.34Å
91V92.4Very high89.4Confident1 Ų124.5 Ų24.51%0.00613%0.132CC..Hα-helixtrans-57.3-49.7176.11700000110.8A82 I83 D87 L93 I94 L95 I243 L247A82-V91 VanDerWaalsContact C-CG2 3.47Å; A82-V91 HydrophobicContact CB-CG2 4.09Å; A82-V91 WeakPolarHBondContact O-CG2 3.43Å; I83-V91 HydrophobicContact CB-CG2 4.46Å; I83-V91 HydrophobicContact CG1-CG1 4.23Å; I83-V91 HydrophobicContact CG1-CG2 4.04Å; D87-V91 WeakPolarHBondContact O-CB 3.37Å; D87-V91 VanDerWaalsContact O-CG2 3.24Å; D87-V91 WeakPolarHBondContact O-CG2 3.48Å; D87-V91 PolarHBondContact O-N 3.27Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 2.98Å; V91-I94 PolarHBondContact O-N 2.53Å; V91-L95 HydrophobicContact CG1-CD1 3.66Å; V91-L95 HydrophobicContact CG1-CG 4.23Å; V91-L95 WeakPolarHBondContact O-CB 3.35Å; V91-L95 WeakPolarHBondContact O-CG 3.45Å; V91-L95 PolarHBondContact O-N 3.29Å; V91-I243 HydrophobicContact CB-CG2 4.47Å; V91-I243 HydrophobicContact CG1-CG2 4.12Å; V91-L247 HydrophobicContact CG2-CD2 4.1Å
92K91.4Very high88.7Confident77 Ų7726.1 Ų26.134%0.33514%0.14SC..Hα-helixtrans-57.3-47.8177.8-174.6173.9-178.9-177.10111.2P88 E89 L90 L95 V96 E237 P238 I243P88-K92 WeakPolarHBondContact O-CB 3.4Å; P88-K92 PolarHBondContact O-N 2.84Å; E89-K92 PolarHBondContact O-N 2.82Å; L90-K92 PolarHBondContact O-N 3.29Å; K92-L95 PolarHBondContact O-N 3.31Å; K92-V96 HydrophobicContact CG-CG2 4.47Å; K92-V96 VanDerWaalsContact O-CG2 3.3Å; K92-V96 WeakPolarHBondContact O-CG2 3.38Å; K92-V96 PolarHBondContact O-N 2.82Å; K92-E237 WeakPolarHBondContact CE-OE2 3.43Å; K92-E237 IonicContact NZ-OE2 3.39Å; K92-E237 PolarHBondContact NZ-OE2 3.39Å; K92-P238 HydrophobicContact CG-CG 4.18Å; K92-I243 HydrophobicContact CB-CD1 3.74Å; K92-I243 HydrophobicContact CD-CD1 4.15Å; K92-I243 HydrophobicContact CG-CD1 3.97Å
93L92.9Very high87.8Confident26 Ų2627.3 Ų27.314%0.13615%0.148CC..Hα-helixtrans-59.7-49.9-178.9179.266.9000111.7L55 A58 R59 L62 E89 L90 V91 H97L55-L93 HydrophobicContact CD1-CD2 3.91Å; A58-L93 HydrophobicContact CB-CD2 4.24Å; R59-L93 HydrophobicContact CB-CD2 4.1Å; L62-L93 HydrophobicContact CD1-CD1 4.14Å; L62-L93 HydrophobicContact CD1-CD2 3.99Å; L62-L93 HydrophobicContact CD1-CG 3.67Å; E89-L93 WeakPolarHBondContact O-CB 3.42Å; E89-L93 PolarHBondContact O-N 2.78Å; L90-L93 PolarHBondContact O-N 2.89Å; V91-L93 VanDerWaalsContact C-N 3.33Å; V91-L93 PolarHBondContact O-N 2.98Å; L93-H97 PolarHBondContact O-CD2 2.71Å; L93-H97 PolarHBondContact O-N 2.79Å
94I93.5Very high87Confident0 Ų031.7 Ų31.70%016%0.163CC..Hα-helixtrans-63.9-44.5179.9-62.9-48000110.9L46 I50 L62 A78 A79 A82 L90 V91 H97 R98L46-I94 HydrophobicContact CD1-CD1 4.35Å; I50-I94 HydrophobicContact CD1-CD1 3.69Å; I50-I94 HydrophobicContact CD1-CG1 3.94Å; I50-I94 HydrophobicContact CG1-CD1 3.95Å; I50-I94 HydrophobicContact CG1-CG1 4.17Å; L62-I94 HydrophobicContact CD1-CD1 3.84Å; A78-I94 HydrophobicContact CB-CG2 4.23Å; A79-I94 HydrophobicContact CB-CG2 4.2Å; A82-I94 HydrophobicContact CB-CB 4.26Å; A82-I94 HydrophobicContact CB-CG1 3.94Å; L90-I94 HydrophobicContact CD1-CD1 4.26Å; L90-I94 HydrophobicContact CD1-CG1 4.07Å; L90-I94 HydrophobicContact CG-CG1 4.38Å; L90-I94 WeakPolarHBondContact O-CG1 3.49Å; L90-I94 PolarHBondContact O-N 3.34Å; V91-I94 PolarHBondContact O-N 2.53Å; I94-H97 PolarHBondContact O-N 2.88Å; I94-R98 WeakPolarHBondContact O-CB 3.4Å; I94-R98 PolarHBondContact O-N 3.36Å
95L88.4Confident86.3Confident5 Ų537.3 Ų37.33%0.02619%0.188CC..Hα-helixtrans-61-47.1-179.6-70.5175.9000111.9A79 V91 K92 H97 R98 D99 P238A79-L95 HydrophobicContact CB-CD2 3.98Å; V91-L95 HydrophobicContact CG1-CD1 3.66Å; V91-L95 HydrophobicContact CG1-CG 4.23Å; V91-L95 WeakPolarHBondContact O-CB 3.35Å; V91-L95 WeakPolarHBondContact O-CG 3.45Å; V91-L95 PolarHBondContact O-N 3.29Å; K92-L95 PolarHBondContact O-N 3.31Å; L95-H97 PolarHBondContact O-N 2.87Å; L95-R98 VanDerWaalsContact CD2-CZ 3.46Å; L95-R98 PolarHBondContact O-N 2.82Å; L95-D99 WeakPolarHBondContact O-CB 3.45Å; L95-D99 PolarHBondContact O-N 3.47Å; L95-P238 HydrophobicContact CB-CG 4.17Å; L95-P238 HydrophobicContact CD1-CB 4.39Å; L95-P238 HydrophobicContact CD1-CG 4.29Å
96V86.5Confident85.5Confident17 Ų1737.5 Ų37.510%0.10319%0.189CC..Hα-helixtrans-59.8-45179.3169.90000111.7K92 A100 Q232 E237 P238K92-V96 HydrophobicContact CG-CG2 4.47Å; K92-V96 VanDerWaalsContact O-CG2 3.3Å; K92-V96 WeakPolarHBondContact O-CG2 3.38Å; K92-V96 PolarHBondContact O-N 2.82Å; V96-A100 WeakPolarHBondContact O-CB 3.19Å; V96-A100 PolarHBondContact O-N 2.87Å; V96-A100 VanDerWaalsContact O-N 3.16Å; V96-Q232 HydrophobicContact CG1-CG 3.99Å; V96-E237 HydrophobicContact CG2-CG 4.31Å; V96-P238 HydrophobicContact CG2-CG 4.3Å
97H88.2Confident84.8Confident16 Ų1636.5 Ų36.57%0.07418%0.177CC..Hα-helixtrans-71.9-38.9179.5-83.2-91.8000112.9L62 A68 L93 I94 L95 A100 Q101 Q232L62-H97 HydrophobicContact CD1-CB 4.13Å; L62-H97 HydrophobicContact CD2-CB 3.81Å; L62-H97 HydrophobicContact CG-CB 4.45Å; A68-H97 HydrophobicContact CB-CB 4.1Å; L93-H97 PolarHBondContact O-CD2 2.71Å; L93-H97 PolarHBondContact O-N 2.79Å; I94-H97 PolarHBondContact O-N 2.88Å; L95-H97 PolarHBondContact O-N 2.87Å; H97-A100 PolarHBondContact O-N 2.73Å; H97-Q101 WeakPolarHBondContact O-CB 3.46Å; H97-Q101 VanDerWaalsContact O-CG 3.27Å; H97-Q101 WeakPolarHBondContact O-CG 3.48Å; H97-Q101 PolarHBondContact O-N 2.99Å; H97-Q232 PolarHBondContact CE1-NE2 2.73Å; H97-Q232 PolarHBondContact NE2-NE2 2.8Å; H97-Q232 VanDerWaalsContact NE2-NE2 3.11Å
98R86.8Confident84.3Confident32 Ų3239.1 Ų39.112%0.12119%0.194CC..Hα-helixtrans-58.5-51.6174.5-179.8-159.569.1176.41.6110.3A68 I94 L95 A100 Q101 I102A68-R98 HydrophobicContact CB-CB 4.03Å; I94-R98 WeakPolarHBondContact O-CB 3.4Å; I94-R98 PolarHBondContact O-N 3.36Å; L95-R98 VanDerWaalsContact CD2-CZ 3.46Å; L95-R98 PolarHBondContact O-N 2.82Å; R98-A100 VanDerWaalsContact C-N 3.3Å; R98-A100 PolarHBondContact O-N 2.7Å; R98-Q101 PolarHBondContact O-N 2.98Å; R98-Q101 VanDerWaalsContact O-N 3.11Å; R98-I102 HydrophobicContact CG-CD1 3.76Å; R98-I102 HydrophobicContact CG-CG1 4.32Å; R98-I102 WeakPolarHBondContact O-CG1 3.42Å; R98-I102 PolarHBondContact O-N 3.31Å
99D80.9Confident83.9Confident22 Ų2238.9 Ų38.912%0.11819%0.189CC..Hα-helixtrans-63.5-40.1-176.4-64.4-9.8000110.5L95 Q101 I102 V103 V235L95-D99 WeakPolarHBondContact O-CB 3.45Å; L95-D99 PolarHBondContact O-N 3.47Å; D99-Q101 VanDerWaalsContact C-N 3.33Å; D99-Q101 PolarHBondContact O-N 2.85Å; D99-I102 PolarHBondContact O-N 3.48Å; D99-V103 VanDerWaalsContact O-CG2 3.22Å; D99-V103 WeakPolarHBondContact O-CG2 3.38Å; D99-V103 PolarHBondContact O-N 3.45Å; D99-V103 VanDerWaalsContact O-N 3.12Å; D99-V235 HydrophobicContact CB-CG1 3.61Å; D99-V235 HydrophobicContact CB-CG2 4.22Å
100A79.3Confident83.5Confident1 Ų133.3 Ų33.31%0.00816%0.162CC..Hα-helixtrans-63.1-37.9174.800000112.9V96 H97 R98 R104 A231 Q232 V235V96-A100 WeakPolarHBondContact O-CB 3.19Å; V96-A100 PolarHBondContact O-N 2.87Å; V96-A100 VanDerWaalsContact O-N 3.16Å; H97-A100 PolarHBondContact O-N 2.73Å; R98-A100 VanDerWaalsContact C-N 3.3Å; R98-A100 PolarHBondContact O-N 2.7Å; A100-R104 PolarHBondContact O-N 2.92Å; A100-A231 HydrophobicContact CB-CB 3.97Å; A100-Q232 HydrophobicContact CB-CG 4.07Å; A100-V235 HydrophobicContact CB-CG2 4.04Å
101Q83.1Confident83Confident33 Ų3334.8 Ų34.815%0.15418%0.175CC..Hα-helixtrans-74-39.6177.8-73.5175-0.900112.8A66 N67 H97 R98 D99 V103 R104 H105A66-Q101 PolarHBondContact O-NE2 3.01Å; N67-Q101 PolarHBondContact OD1-OE1 3.16Å; H97-Q101 WeakPolarHBondContact O-CB 3.46Å; H97-Q101 VanDerWaalsContact O-CG 3.27Å; H97-Q101 WeakPolarHBondContact O-CG 3.48Å; H97-Q101 PolarHBondContact O-N 2.99Å; R98-Q101 PolarHBondContact O-N 2.98Å; R98-Q101 VanDerWaalsContact O-N 3.11Å; D99-Q101 VanDerWaalsContact C-N 3.33Å; D99-Q101 PolarHBondContact O-N 2.85Å; Q101-V103 VanDerWaalsContact C-N 3.35Å; Q101-V103 PolarHBondContact O-N 2.78Å; Q101-R104 PolarHBondContact O-N 3.38Å; Q101-H105 VanDerWaalsContact O-CB 3.31Å; Q101-H105 WeakPolarHBondContact O-CB 3.48Å; Q101-H105 PolarHBondContact O-N 3.12Å
102I76.8Confident82.8Confident42 Ų4238.5 Ų38.522%0.21520%0.195CC..Hα-helixtrans-56.5-51.6174.9-72.6171.7000109.5R98 D99 R104 H105 Q106R98-I102 HydrophobicContact CG-CD1 3.76Å; R98-I102 HydrophobicContact CG-CG1 4.32Å; R98-I102 WeakPolarHBondContact O-CG1 3.42Å; R98-I102 PolarHBondContact O-N 3.31Å; D99-I102 PolarHBondContact O-N 3.48Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.42Å; I102-H105 PolarHBondContact O-N 3.02Å; I102-Q106 WeakPolarHBondContact O-CB 3.37Å; I102-Q106 PolarHBondContact O-N 3.38Å
103V72.3Confident82.8Confident26 Ų2635.2 Ų35.216%0.15818%0.181CC..Hα-helixtrans-54.4-48.5178.2167.70000111.6D99 Q101 A107 P567 Y570D99-V103 VanDerWaalsContact O-CG2 3.22Å; D99-V103 WeakPolarHBondContact O-CG2 3.38Å; D99-V103 PolarHBondContact O-N 3.45Å; D99-V103 VanDerWaalsContact O-N 3.12Å; Q101-V103 VanDerWaalsContact C-N 3.35Å; Q101-V103 PolarHBondContact O-N 2.78Å; V103-A107 PolarHBondContact O-N 3.23Å; V103-P567 HydrophobicContact CB-CB 4.49Å; V103-P567 HydrophobicContact CB-CG 3.96Å; V103-P567 HydrophobicContact CG1-CB 3.84Å; V103-P567 HydrophobicContact CG1-CG 3.45Å; V103-P567 VanDerWaalsContact CG1-CG 3.45Å; V103-P567 HydrophobicContact CG2-CB 3.93Å; V103-P567 HydrophobicContact CG2-CG 3.2Å; V103-Y570 HydrophobicContact CG2-CD2 3.92Å; V103-Y570 HydrophobicContact CG2-CE2 3.79Å
104R74.6Confident82.7Confident107 Ų10734.1 Ų34.140%0.40418%0.175SC..Hα-helixtrans-65.2-45.8-179.5179178.717176.64.8111.7A100 Q101 I102 A107 L207A100-R104 PolarHBondContact O-N 2.92Å; Q101-R104 PolarHBondContact O-N 3.38Å; I102-R104 VanDerWaalsContact C-N 3.31Å; I102-R104 PolarHBondContact O-N 3.42Å; R104-A107 PolarHBondContact O-N 3.11Å; R104-L207 PolarHBondContact NH1-O 3.2Å
105H75.8Confident82.5Confident121 Ų12138 Ų3856%0.5619%0.193SC*.Hα-helixtrans-68.3-40.5-177.3-172.755.9000111.3Q101 I102 A107 V108 I109Q101-H105 VanDerWaalsContact O-CB 3.31Å; Q101-H105 WeakPolarHBondContact O-CB 3.48Å; Q101-H105 PolarHBondContact O-N 3.12Å; I102-H105 PolarHBondContact O-N 3.02Å; H105-A107 VanDerWaalsContact C-N 3.25Å; H105-A107 PolarHBondContact O-N 2.97Å; H105-V108 WeakPolarHBondContact O-CB 3.47Å; H105-V108 PolarHBondContact O-N 3Å; H105-V108 VanDerWaalsContact O-N 3.12Å; H105-I109 WeakPolarHBondContact CD2-CD1 3.19Å; H105-I109 VanDerWaalsContact NE2-CD1 3.34Å; H105-I109 WeakPolarHBondContact NE2-CD1 3.4Å; H105-I109 WeakPolarHBondContact O-CG1 3.25Å; H105-I109 PolarHBondContact O-N 3.48Å
106Q72.7Confident82.6Confident14 Ų1442.4 Ų42.47%0.06521%0.212CC..Hα-helixtrans-60.8-36.9176.2-168.917917.200111.3I102 V108 I109 V110 Y437 Y570I102-Q106 WeakPolarHBondContact O-CB 3.37Å; I102-Q106 PolarHBondContact O-N 3.38Å; Q106-V108 VanDerWaalsContact C-N 3.27Å; Q106-V108 PolarHBondContact O-N 3.22Å; Q106-I109 PolarHBondContact O-N 3.41Å; Q106-V110 HydrophobicContact CG-CG2 4.04Å; Q106-V110 WeakPolarHBondContact O-CB 3.23Å; Q106-V110 WeakPolarHBondContact O-CG2 3.45Å; Q106-V110 PolarHBondContact O-N 3.38Å; Q106-Y437 PolarHBondContact NE2-OH 2.87Å; Q106-Y437 VanDerWaalsContact NE2-OH 3.11Å; Q106-Y570 VanDerWaalsContact OE1-CZ 3.24Å; Q106-Y570 PolarHBondContact OE1-OH 3.11Å
107A74.3Confident82.9Confident10 Ų1041.6 Ų41.68%0.08321%0.207CC..Hα-helixtrans-62.5-35.7176.800000114V103 R104 H105 A111 V204V103-A107 PolarHBondContact O-N 3.23Å; R104-A107 PolarHBondContact O-N 3.11Å; H105-A107 VanDerWaalsContact C-N 3.25Å; H105-A107 PolarHBondContact O-N 2.97Å; A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 2.8Å; A107-V204 HydrophobicContact CB-CG1 3.47Å; A107-V204 VanDerWaalsContact CB-CG1 3.47Å
108V80.3Confident83.1Confident85 Ų8547.3 Ų47.352%0.51523%0.228SC..Hα-helixtrans-71.8-43.9173.3-179.90000110.8H105 Q106 A111 D112H105-V108 WeakPolarHBondContact O-CB 3.47Å; H105-V108 PolarHBondContact O-N 3Å; H105-V108 VanDerWaalsContact O-N 3.12Å; Q106-V108 VanDerWaalsContact C-N 3.27Å; Q106-V108 PolarHBondContact O-N 3.22Å; V108-A111 PolarHBondContact O-N 3.09Å; V108-D112 WeakPolarHBondContact O-CB 3.17Å; V108-D112 PolarHBondContact O-N 3.47Å
109I83.5Confident83.4Confident61 Ų6152.8 Ų52.831%0.31326%0.255SS..Hα-helixtrans-59.8-53.1178.7-69.6163.9000110.9H105 Q106 A111 D112 L113H105-I109 WeakPolarHBondContact CD2-CD1 3.19Å; H105-I109 VanDerWaalsContact NE2-CD1 3.34Å; H105-I109 WeakPolarHBondContact NE2-CD1 3.4Å; H105-I109 WeakPolarHBondContact O-CG1 3.25Å; H105-I109 PolarHBondContact O-N 3.48Å; Q106-I109 PolarHBondContact O-N 3.41Å; I109-A111 VanDerWaalsContact C-N 3.29Å; I109-A111 PolarHBondContact O-N 3.33Å; I109-D112 PolarHBondContact O-N 3.03Å; I109-D112 VanDerWaalsContact O-N 3.13Å; I109-L113 HydrophobicContact CG2-CD1 3.5Å; I109-L113 HydrophobicContact CG2-CG 3.93Å; I109-L113 WeakPolarHBondContact O-CB 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.26Å; I109-L113 WeakPolarHBondContact O-CG 3.12Å; I109-L113 PolarHBondContact O-N 3.33Å
110V85.6Confident84Confident3 Ų352.7 Ų52.72%0.01826%0.255CS..Hα-helixtrans-58.6-44.1-177.7171.70000110.1Q106 D112 L113 L114 F180 A187 V204 L433Q106-V110 HydrophobicContact CG-CG2 4.04Å; Q106-V110 WeakPolarHBondContact O-CB 3.23Å; Q106-V110 WeakPolarHBondContact O-CG2 3.45Å; Q106-V110 PolarHBondContact O-N 3.38Å; V110-D112 PolarHBondContact O-N 3.4Å; V110-L113 PolarHBondContact O-N 3.33Å; V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.27Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.93Å; V110-F180 HydrophobicContact CG1-CD1 4.43Å; V110-A187 HydrophobicContact CG1-CB 3.83Å; V110-V204 HydrophobicContact CB-CG1 4.15Å; V110-V204 HydrophobicContact CG1-CG1 4.4Å; V110-L433 HydrophobicContact CB-CD2 4.25Å; V110-L433 HydrophobicContact CG1-CD2 3.95Å; V110-L433 HydrophobicContact CG2-CD2 4.08Å
111A84.5Confident84.7Confident32 Ų3256.9 Ų56.926%0.26428%0.283SS..Hα-helixtrans-61.5-43.817700000112.7A107 V108 I109 Q115 L206A107-A111 WeakPolarHBondContact O-CB 3.44Å; A107-A111 PolarHBondContact O-N 2.8Å; V108-A111 PolarHBondContact O-N 3.09Å; I109-A111 VanDerWaalsContact C-N 3.29Å; I109-A111 PolarHBondContact O-N 3.33Å; A111-Q115 WeakPolarHBondContact O-CB 3.25Å; A111-Q115 PolarHBondContact O-N 2.98Å; A111-L206 HydrophobicContact CB-CD2 4Å
112D87.7Confident85.3Confident78 Ų7857.4 Ų57.442%0.41729%0.286SS..Hα-helixtrans-64.1-42.9176.3179.965.7000112.3V108 I109 V110 Q115 K116V108-D112 WeakPolarHBondContact O-CB 3.17Å; V108-D112 PolarHBondContact O-N 3.47Å; I109-D112 PolarHBondContact O-N 3.03Å; I109-D112 VanDerWaalsContact O-N 3.13Å; V110-D112 PolarHBondContact O-N 3.4Å; D112-Q115 PolarHBondContact O-N 3.5Å; D112-K116 WeakPolarHBondContact O-CG 3.07Å; D112-K116 PolarHBondContact O-N 3.07Å; D112-K116 VanDerWaalsContact OD2-CE 3.23Å; D112-K116 WeakPolarHBondContact OD2-CE 3.29Å; D112-K116 IonicContact OD2-NZ 3.77Å; D112-K116 PolarHBondContact OD2-NZ 3.06Å
113L91.2Very high86.2Confident8 Ų855.4 Ų55.44%0.04228%0.276CS..Hα-helixtrans-64.6-43.5177.6-66.5176.5000111.8I109 V110 Q115 K116 L117 P429 D432 L433I109-L113 HydrophobicContact CG2-CD1 3.5Å; I109-L113 HydrophobicContact CG2-CG 3.93Å; I109-L113 WeakPolarHBondContact O-CB 3.4Å; I109-L113 VanDerWaalsContact O-CG 3.26Å; I109-L113 WeakPolarHBondContact O-CG 3.12Å; I109-L113 PolarHBondContact O-N 3.33Å; V110-L113 PolarHBondContact O-N 3.33Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 3.14Å; L113-K116 PolarHBondContact O-N 3.04Å; L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.28Å; L113-P429 HydrophobicContact CD2-CB 3.97Å; L113-D432 HydrophobicContact CD1-CB 3.58Å; L113-D432 HydrophobicContact CD2-CB 4.24Å; L113-L433 HydrophobicContact CB-CD2 4.01Å; L113-L433 HydrophobicContact CB-CG 4.18Å; L113-L433 HydrophobicContact CD1-CD2 3.86Å; L113-L433 HydrophobicContact CD1-CG 3.91Å
114L91.2Very high87.4Confident3 Ų354.2 Ų54.22%0.01627%0.269CS..Hα-helixtrans-68.5-27.6176.9-63.7178.9000112.7V110 R118 S154 V156 F180 A182 A187 L433V110-L114 HydrophobicContact CG1-CD1 3.93Å; V110-L114 HydrophobicContact CG1-CG 4.27Å; V110-L114 WeakPolarHBondContact O-CB 3.3Å; V110-L114 VanDerWaalsContact O-CG 3.25Å; V110-L114 WeakPolarHBondContact O-CG 3.48Å; V110-L114 PolarHBondContact O-N 2.93Å; L114-R118 PolarHBondContact O-N 3.11Å; L114-R118 VanDerWaalsContact O-N 3.11Å; L114-S154 WeakPolarHBondContact CD2-O 3.11Å; L114-S154 PolarHBondContact O-OG 3.42Å; L114-V156 HydrophobicContact CD2-CG2 4.15Å; L114-F180 HydrophobicContact CD1-CB 4.42Å; L114-F180 HydrophobicContact CD2-CB 3.84Å; L114-A182 HydrophobicContact CD1-CB 4.47Å; L114-A187 HydrophobicContact CD1-CB 3.77Å; L114-L433 HydrophobicContact CD2-CD1 3.85Å; L114-L433 HydrophobicContact CD2-CD2 4.41Å
115Q89.1Confident88.4Confident83 Ų8349.2 Ų49.239%0.38825%0.25SC..Hα-helixtrans-70.5-47.6170.8178.958.140.700111.1A111 D112 L113 L117 R118 E119A111-Q115 WeakPolarHBondContact O-CB 3.25Å; A111-Q115 PolarHBondContact O-N 2.98Å; D112-Q115 PolarHBondContact O-N 3.5Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 3.14Å; Q115-L117 VanDerWaalsContact C-N 3.3Å; Q115-L117 PolarHBondContact O-N 3.19Å; Q115-R118 WeakPolarHBondContact O-CB 3.43Å; Q115-R118 PolarHBondContact O-N 3.13Å; Q115-R118 VanDerWaalsContact O-N 3.13Å; Q115-E119 PolarHBondContact NE2-OE1 3.39Å; Q115-E119 PolarHBondContact O-N 3.33Å
116K90.6Very high89.3Confident96 Ų9645.1 Ų45.142%0.41723%0.231SC..Hα-helixtrans-56.8-45173.8-75.3169.1176.5159.90111.6D112 L113 R118 E119D112-K116 WeakPolarHBondContact O-CG 3.07Å; D112-K116 PolarHBondContact O-N 3.07Å; D112-K116 VanDerWaalsContact OD2-CE 3.23Å; D112-K116 WeakPolarHBondContact OD2-CE 3.29Å; D112-K116 IonicContact OD2-NZ 3.77Å; D112-K116 PolarHBondContact OD2-NZ 3.06Å; L113-K116 PolarHBondContact O-N 3.04Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.87Å; K116-E119 PolarHBondContact O-N 3.1Å; K116-E119 VanDerWaalsContact O-N 3.14Å
117L92.7Very high90.2Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-64.3-34.1178.4-73.1173.3000112.3L113 Q115 E119 T120 K151 G153 V156 P429 I430 L433L113-L117 WeakPolarHBondContact O-CB 3.44Å; L113-L117 VanDerWaalsContact O-CG 3.31Å; L113-L117 WeakPolarHBondContact O-CG 3.42Å; L113-L117 PolarHBondContact O-N 3.28Å; Q115-L117 VanDerWaalsContact C-N 3.3Å; Q115-L117 PolarHBondContact O-N 3.19Å; L117-E119 PolarHBondContact O-N 3.23Å; L117-T120 PolarHBondContact O-N 2.91Å; L117-T120 VanDerWaalsContact O-N 3.07Å; L117-T120 PolarHBondContact O-OG1 3.42Å; L117-K151 HydrophobicContact CD2-CG 4.49Å; L117-K151 WeakPolarHBondContact O-CE 3.49Å; L117-K151 PolarHBondContact O-NZ 3.38Å; L117-G153 CarbonylContact C-O 3.55Å; L117-V156 HydrophobicContact CD1-CG2 3.62Å; L117-P429 HydrophobicContact CD1-CB 4.29Å; L117-P429 HydrophobicContact CD2-CB 3.97Å; L117-P429 HydrophobicContact CG-CB 3.99Å; L117-I430 HydrophobicContact CD1-CG1 4.09Å; L117-I430 HydrophobicContact CD2-CD1 4.49Å; L117-I430 HydrophobicContact CD2-CG1 4.16Å; L117-L433 HydrophobicContact CD1-CD1 3.8Å
118R92.6Very high90.8Very high137 Ų13748 Ų4852%0.51724%0.242SC..Hα-helixtrans-54.3-36.9173.6-169.6-179.6-70.5-150.9-2.5112.8L114 Q115 K116 T120 G153 S154L114-R118 PolarHBondContact O-N 3.11Å; L114-R118 VanDerWaalsContact O-N 3.11Å; Q115-R118 WeakPolarHBondContact O-CB 3.43Å; Q115-R118 PolarHBondContact O-N 3.13Å; Q115-R118 VanDerWaalsContact O-N 3.13Å; K116-R118 VanDerWaalsContact C-N 3.3Å; K116-R118 PolarHBondContact O-N 2.87Å; R118-T120 VanDerWaalsContact C-N 3.28Å; R118-T120 PolarHBondContact O-N 3.31Å; R118-G153 WeakPolarHBondContact CA-O 3.19Å; R118-S154 WeakPolarHBondContact CB-OG 3.31Å; R118-S154 PolarHBondContact NE-OG 2.9Å; R118-S154 PolarHBondContact NH2-OG 3.16Å; R118-S154 VanDerWaalsContact NH2-OG 3.15Å
119E92.5Very high91Very high147 Ų14745.2 Ų45.269%0.68722%0.222SC*.THydrogen-bonded Turntrans-81-8.6-175.6-64.7169.5-165.900113Q115 K116 L117Q115-E119 PolarHBondContact NE2-OE1 3.39Å; Q115-E119 PolarHBondContact O-N 3.33Å; K116-E119 PolarHBondContact O-N 3.1Å; K116-E119 VanDerWaalsContact O-N 3.14Å; L117-E119 PolarHBondContact O-N 3.23Å
120T93.4Very high90.9Very high19 Ų1944.1 Ų44.112%0.11722%0.215CC..SBendtrans-92.8157.6176.167.40000111.5L117 R118 K151 D425 Q426L117-T120 PolarHBondContact O-N 2.91Å; L117-T120 VanDerWaalsContact O-N 3.07Å; L117-T120 PolarHBondContact O-OG1 3.42Å; R118-T120 VanDerWaalsContact C-N 3.28Å; R118-T120 PolarHBondContact O-N 3.31Å; T120-K151 PolarHBondContact O-NZ 2.81Å; T120-K151 VanDerWaalsContact OG1-CE 3.23Å; T120-K151 WeakPolarHBondContact OG1-CE 3.38Å; T120-K151 PolarHBondContact OG1-NZ 3.05Å; T120-D425 HydrophobicContact CG2-CB 4.34Å; T120-D425 WeakPolarHBondContact CG2-O 3.23Å; T120-Q426 HydrophobicContact CG2-CG 3.77Å
121P94.2Very high90.3Very high90 Ų9045.8 Ų45.858%0.58422%0.222SC*.PPolyproline II helixtrans-64.8159.6172.527.2-33.8000111.4F123 K151P121-F123 WeakPolarHBondContact O-CD1 3.4Å; P121-K151 WeakPolarHBondContact O-CD 3.36Å; P121-K151 PolarHBondContact O-NZ 2.74Å
122D95.4Very high89.6Confident44 Ų4446.8 Ų46.824%0.23523%0.226CC..PPolyproline II helixtrans-74.9146.8175.7-63.7-18.5000110.3K151 C152 G153 C546D122-K151 WeakPolarHBondContact CA-O 3.47Å; D122-K151 WeakPolarHBondContact CB-O 3.21Å; D122-K151 IonicContact OD1-NZ 2.76Å; D122-K151 PolarHBondContact OD1-NZ 2.93Å; D122-C152 WeakPolarHBondContact OD1-CA 3.41Å; D122-C152 PolarHBondContact OD2-SG 3.45Å; D122-G153 PolarHBondContact OD1-N 3.11Å; D122-C546 VanDerWaalsContact O-CB 3.31Å; D122-C546 WeakPolarHBondContact O-CB 3.36Å
123F96.3Very high88.4Confident0 Ų044 Ų440%021%0.212CC..EExtended strand (participates in β ladder)trans-160.3158179.966.9-85.6000112.2P121 I125 K151 L421 Q426 I427 I430 I548P121-F123 WeakPolarHBondContact O-CD1 3.4Å; F123-I125 HydrophobicContact CD2-CB 4.25Å; F123-I125 HydrophobicContact CD2-CG2 3.95Å; F123-I125 HydrophobicContact CE2-CB 4.44Å; F123-I125 HydrophobicContact CE2-CG2 3.68Å; F123-K151 HydrophobicContact CD1-CB 4.08Å; F123-K151 HydrophobicContact CD1-CD 3.87Å; F123-K151 HydrophobicContact CD1-CG 4.36Å; F123-K151 HydrophobicContact CE1-CB 3.84Å; F123-K151 HydrophobicContact CE1-CD 3.77Å; F123-K151 HydrophobicContact CE1-CG 3.93Å; F123-K151 HydrophobicContact CZ-CB 4.14Å; F123-K151 PolarHBondContact N-O 2.88Å; F123-K151 VanDerWaalsContact N-O 3.12Å; F123-K151 PolarHBondContact O-N 2.77Å; F123-L421 HydrophobicContact CB-CD2 4.05Å; F123-L421 HydrophobicContact CD1-CD2 4.05Å; F123-L421 HydrophobicContact CD2-CD1 4.19Å; F123-L421 HydrophobicContact CD2-CD2 4Å; F123-L421 HydrophobicContact CE1-CD2 4.47Å; F123-L421 HydrophobicContact CE2-CD1 4.43Å; F123-L421 HydrophobicContact CE2-CD2 4.41Å; F123-L421 HydrophobicContact CG-CD2 3.78Å; F123-Q426 HydrophobicContact CE1-CB 3.76Å; F123-Q426 HydrophobicContact CE1-CG 4.03Å; F123-Q426 HydrophobicContact CZ-CB 3.87Å; F123-I427 HydrophobicContact CE2-CD1 4.05Å; F123-I427 HydrophobicContact CZ-CD1 4.26Å; F123-I430 HydrophobicContact CE1-CD1 4.32Å; F123-I430 HydrophobicContact CE2-CD1 3.92Å; F123-I430 HydrophobicContact CZ-CD1 3.36Å; F123-I548 VanDerWaalsContact O-CD1 3.3Å; F123-I548 WeakPolarHBondContact O-CD1 3.49Å
124Y96.8Very high86.8Confident1 Ų151.2 Ų51.20%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-117140.5166.2170.1-93.8000109E126 R148 V149 W150 N476 L477 H478 V484 V487Y124-E126 HydrophobicContact CE1-CG 3.67Å; Y124-E126 VanDerWaalsContact OH-CD 3.28Å; Y124-E126 WeakPolarHBondContact OH-CG 3.36Å; Y124-E126 PolarHBondContact OH-OE1 3.28Å; Y124-R148 HydrophobicContact CE2-CB 4.01Å; Y124-R148 WeakPolarHBondContact OH-CD 3.23Å; Y124-R148 WeakPolarHBondContact OH-CG 3.32Å; Y124-V149 CarbonylContact C-O 3.55Å; Y124-V149 VanDerWaalsContact CA-O 3.25Å; Y124-V149 WeakPolarHBondContact CA-O 3.17Å; Y124-V149 VanDerWaalsContact CD2-O 3.29Å; Y124-V149 WeakPolarHBondContact CD2-O 3.49Å; Y124-W150 AromaticContact CD2-CD1 3.58Å; Y124-W150 AromaticContact CD2-CD2 3.73Å; Y124-W150 HydrophobicContact CD2-CD2 3.73Å; Y124-W150 AromaticContact CD2-CE2 3.52Å; Y124-W150 AromaticContact CD2-CG 3.79Å; Y124-W150 HydrophobicContact CD2-CG 3.79Å; Y124-W150 HydrophobicContact CD2-CZ2 4.14Å; Y124-W150 AromaticContact CD2-NE1 3.42Å; Y124-W150 AromaticContact CE2-CD2 3.84Å; Y124-W150 HydrophobicContact CE2-CD2 3.84Å; Y124-W150 AromaticContact CE2-CE2 3.39Å; Y124-W150 HydrophobicContact CE2-CE3 4.31Å; Y124-W150 HydrophobicContact CE2-CG 4.39Å; Y124-W150 HydrophobicContact CE2-CH2 4.04Å; Y124-W150 AromaticContact CE2-CZ2 3.52Å; Y124-W150 HydrophobicContact CE2-CZ2 3.52Å; Y124-W150 HydrophobicContact CE2-CZ3 4.4Å; Y124-W150 AromaticContact CE2-NE1 3.71Å; Y124-N476 VanDerWaalsContact CD1-O 3.25Å; Y124-N476 WeakPolarHBondContact CD1-O 3.25Å; Y124-N476 HydrophobicContact CE1-CB 4.31Å; Y124-N476 WeakPolarHBondContact CE1-O 3.49Å; Y124-L477 WeakPolarHBondContact O-CD1 3.14Å; Y124-H478 PolarHBondContact O-N 2.78Å; Y124-V484 HydrophobicContact CD1-CG2 4.08Å; Y124-V484 HydrophobicContact CD2-CG1 4.13Å; Y124-V484 HydrophobicContact CE1-CB 4.29Å; Y124-V484 HydrophobicContact CE1-CG1 4.23Å; Y124-V484 HydrophobicContact CE1-CG2 3.5Å; Y124-V484 VanDerWaalsContact CE1-CG2 3.5Å; Y124-V484 HydrophobicContact CE2-CG1 3.67Å; Y124-V484 HydrophobicContact CE2-CG2 4.44Å; Y124-V487 HydrophobicContact CD2-CG2 4.17Å; Y124-V487 HydrophobicContact CG-CG2 4.02Å
125I95.9Very high85.2Confident1 Ų152.5 Ų52.51%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-149.4149.8174.5-172.2158.1000111.4F123 V149 L421 I427 F474F123-I125 HydrophobicContact CD2-CB 4.25Å; F123-I125 HydrophobicContact CD2-CG2 3.95Å; F123-I125 HydrophobicContact CE2-CB 4.44Å; F123-I125 HydrophobicContact CE2-CG2 3.68Å; I125-V149 HydrophobicContact CG2-CB 3.95Å; I125-V149 HydrophobicContact CG2-CG2 4.46Å; I125-V149 PolarHBondContact N-O 2.89Å; I125-V149 PolarHBondContact O-N 3.15Å; I125-L421 HydrophobicContact CB-CD1 4.48Å; I125-L421 HydrophobicContact CD1-CD1 3.45Å; I125-L421 VanDerWaalsContact CD1-CD1 3.45Å; I125-I427 HydrophobicContact CD1-CD1 4.37Å; I125-I427 HydrophobicContact CG2-CD1 4.33Å; I125-F474 HydrophobicContact CD1-CB 4.2Å; I125-F474 HydrophobicContact CD1-CD1 4.12Å
126E94.6Very high83.2Confident35 Ų3549 Ų4916%0.16423%0.23CC..EExtended strand (participates in β ladder)trans-105.9130.3171.2-62.8-177.2-170.600110.5Y124 V146 R148 F474 G475 N476Y124-E126 HydrophobicContact CE1-CG 3.67Å; Y124-E126 VanDerWaalsContact OH-CD 3.28Å; Y124-E126 WeakPolarHBondContact OH-CG 3.36Å; Y124-E126 PolarHBondContact OH-OE1 3.28Å; E126-V146 HydrophobicContact CB-CG1 4.13Å; E126-V146 HydrophobicContact CG-CG1 4.37Å; E126-R148 HydrophobicContact CG-CG 4.19Å; E126-F474 CarbonylContact O-C 3.54Å; E126-F474 WeakPolarHBondContact O-CA 3.27Å; E126-G475 PolarHBondContact N-O 3.18Å; E126-G475 PolarHBondContact O-N 3.36Å; E126-N476 HydrophobicContact CB-CB 4.33Å; E126-N476 HydrophobicContact CG-CB 3.89Å; E126-N476 PolarHBondContact OE1-ND2 3.21Å
127M91.1Very high81.5Confident1 Ų146.9 Ų46.91%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-110.8104.5172.6-65.7177.861.100108.3W129 C147 V149 I431 F441 L444 S473 F474M127-W129 HydrophobicContact CE-CZ2 4.09Å; M127-C147 HydrophobicContact CB-CB 4.05Å; M127-C147 PolarHBondContact N-O 2.85Å; M127-C147 WeakPolarHBondContact O-CB 3.41Å; M127-C147 PolarHBondContact O-N 2.81Å; M127-V149 HydrophobicContact SD-CG2 4.42Å; M127-I431 HydrophobicContact CE-CD1 4.49Å; M127-I431 HydrophobicContact CE-CG1 4.4Å; M127-F441 HydrophobicContact CE-CD1 4.44Å; M127-F441 HydrophobicContact CE-CE1 3.7Å; M127-F441 HydrophobicContact CE-CZ 4.26Å; M127-F441 HydrophobicContact SD-CE1 3.94Å; M127-F441 HydrophobicContact SD-CZ 4.31Å; M127-L444 HydrophobicContact CE-CD2 3.41Å; M127-L444 VanDerWaalsContact CE-CD2 3.41Å; M127-S473 CarbonylContact C-O 3.59Å; M127-S473 WeakPolarHBondContact CA-O 3.38Å; M127-F474 HydrophobicContact CE-CE1 3.73Å; M127-F474 HydrophobicContact CE-CZ 4.13Å; M127-F474 HydrophobicContact CG-CD1 3.74Å; M127-F474 HydrophobicContact CG-CE1 3.73Å; M127-F474 HydrophobicContact SD-CE1 3.95Å
128K88.6Confident79.6Confident84 Ų8447.8 Ų47.837%0.36523%0.228SC..EExtended strand (participates in β ladder)trans-92.9120.3179.5-177.1-177.2-170.2-150.60110.2E130 D145 V146 V472 S473K128-E130 VanDerWaalsContact CE-OE2 3.23Å; K128-E130 WeakPolarHBondContact CE-OE2 3.34Å; K128-E130 IonicContact NZ-OE2 2.85Å; K128-E130 PolarHBondContact NZ-OE2 3.35Å; K128-D145 WeakPolarHBondContact CA-O 3.3Å; K128-V146 HydrophobicContact CB-CG2 4.43Å; K128-V146 HydrophobicContact CG-CG2 4.09Å; K128-V472 WeakPolarHBondContact O-CA 3.4Å; K128-S473 PolarHBondContact N-O 3.45Å; K128-S473 PolarHBondContact O-N 3.46Å
129W83.4Confident77.6Confident27 Ų2742.4 Ų42.410%0.10221%0.212CC..EExtended strand (participates in β ladder)trans-98.3124.3171-60.491.3000108.5M127 S144 D145 L444 V472M127-W129 HydrophobicContact CE-CZ2 4.09Å; W129-S144 CarbonylContact O-C 3.54Å; W129-S144 WeakPolarHBondContact O-CA 3.44Å; W129-S144 WeakPolarHBondContact O-CB 3.35Å; W129-D145 HydrophobicContact CB-CB 4.45Å; W129-D145 PolarHBondContact N-O 2.83Å; W129-D145 PolarHBondContact O-N 2.88Å; W129-L444 HydrophobicContact CH2-CB 3.76Å; W129-L444 HydrophobicContact CH2-CD1 3.94Å; W129-L444 HydrophobicContact CH2-CD2 3.54Å; W129-L444 HydrophobicContact CH2-CG 3.89Å; W129-L444 HydrophobicContact CZ2-CB 4.42Å; W129-L444 HydrophobicContact CZ2-CD2 3.6Å; W129-L444 HydrophobicContact CZ2-CG 4.43Å; W129-V472 HydrophobicContact CD2-CG1 4.42Å; W129-V472 HydrophobicContact CD2-CG2 4.37Å; W129-V472 HydrophobicContact CE3-CB 4.48Å; W129-V472 HydrophobicContact CE3-CG1 4.31Å; W129-V472 HydrophobicContact CE3-CG2 3.51Å; W129-V472 HydrophobicContact CH2-CG1 4.04Å; W129-V472 HydrophobicContact CH2-CG2 3.91Å; W129-V472 HydrophobicContact CZ2-CG1 4.23Å; W129-V472 HydrophobicContact CZ3-CB 4.33Å; W129-V472 HydrophobicContact CZ3-CG1 4.13Å; W129-V472 HydrophobicContact CZ3-CG2 3.24Å
130E80.8Confident75.7Confident38 Ų3841.4 Ų41.418%0.17820%0.202CC..EExtended strand (participates in β ladder)trans-142.4137.1175.968.3-169.4-178.400110.6K128 T132 C471K128-E130 VanDerWaalsContact CE-OE2 3.23Å; K128-E130 WeakPolarHBondContact CE-OE2 3.34Å; K128-E130 IonicContact NZ-OE2 2.85Å; K128-E130 PolarHBondContact NZ-OE2 3.35Å; E130-T132 HydrophobicContact CG-CG2 4.25Å; E130-C471 HydrophobicContact CG-CB 3.54Å; E130-C471 PolarHBondContact N-O 3.25Å; E130-C471 PolarHBondContact O-N 3.12Å; E130-C471 PolarHBondContact OE1-SG 3.41Å
131F74.1Confident73.9Confident37 Ų3742 Ų4216%0.16220%0.204CC..EExtended strand (participates in β ladder)trans-101.4129.8166-67.5-107.3000107C142 P143 L464 L468 N469 A470F131-C142 HydrophobicContact CB-CB 3.77Å; F131-C142 WeakPolarHBondContact O-CB 3.43Å; F131-P143 HydrophobicContact CD2-CG 3.51Å; F131-P143 WeakPolarHBondContact CD2-O 3.5Å; F131-P143 HydrophobicContact CE2-CG 3.82Å; F131-P143 HydrophobicContact CG-CG 4.14Å; F131-P143 PolarHBondContact N-O 3.24Å; F131-P143 VanDerWaalsContact N-O 3.12Å; F131-L464 HydrophobicContact CD1-CD1 3.95Å; F131-L464 HydrophobicContact CE1-CD1 3.62Å; F131-L468 HydrophobicContact CB-CD1 4.22Å; F131-L468 HydrophobicContact CD1-CD2 4.2Å; F131-N469 CarbonylContact C-O 3.58Å; F131-N469 VanDerWaalsContact CA-O 3.27Å; F131-N469 WeakPolarHBondContact CA-O 3.34Å; F131-A470 HydrophobicContact CD1-CB 4.12Å; F131-A470 HydrophobicContact CE1-CB 3.97Å
132T68.7Low72.3Confident54 Ų5438.2 Ų38.233%0.33118%0.179SC..EExtended strand (participates in β ladder)trans-119.6139.618058.70000109.5E130 L468 N469E130-T132 HydrophobicContact CG-CG2 4.25Å; T132-L468 CarbonylContact O-C 3.55Å; T132-L468 WeakPolarHBondContact O-CA 3.46Å; T132-N469 PolarHBondContact N-O 3.31Å; T132-N469 PolarHBondContact O-N 3.48Å
133S62.7Low71Confident18 Ų1836.4 Ų36.413%0.12617%0.169CC..EExtended strand (participates in β ladder)trans-127.7140.8177.8164.40000109.7L135 V467S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact OG-N 3.47Å; S133-L135 VanDerWaalsContact OG-N 3.1Å; S133-L135 PolarHBondContact OG-O 2.94Å; S133-V467 WeakPolarHBondContact CA-O 3.48Å; S133-V467 VanDerWaalsContact CB-O 3.25Å; S133-V467 WeakPolarHBondContact CB-O 3.36Å; S133-V467 PolarHBondContact OG-O 3.17Å; S133-V467 VanDerWaalsContact OG-O 3.11Å
134W59.1Low70Confident161 Ų16138.6 Ų38.661%0.6119%0.185SC*.SBendtrans-75-24.6173.371.4-101.5000112.1P136 H466 V467W134-P136 WeakPolarHBondContact O-CD 3.32Å; W134-H466 VanDerWaalsContact CD1-O 3.32Å; W134-H466 PolarHBondContact NE1-O 3.1Å; W134-H466 VanDerWaalsContact NE1-O 3.11Å; W134-V467 HydrophobicContact CZ2-CG1 3.96Å; W134-V467 PolarHBondContact N-O 3.15Å
135L56.4Low69.3Low29 Ų2939 Ų3915%0.15219%0.187CC..SBendtrans-67.4117.6173.6-80.6157.8000109.5S133 V138 L349 V467 I629S133-L135 VanDerWaalsContact C-N 3.31Å; S133-L135 PolarHBondContact OG-N 3.47Å; S133-L135 VanDerWaalsContact OG-N 3.1Å; S133-L135 PolarHBondContact OG-O 2.94Å; L135-V138 HydrophobicContact CB-CB 4.1Å; L135-V138 HydrophobicContact CB-CG2 3.92Å; L135-V138 HydrophobicContact CD1-CG2 4.36Å; L135-V138 PolarHBondContact O-N 3.33Å; L135-L349 HydrophobicContact CD1-CD2 4.04Å; L135-V467 HydrophobicContact CD1-CB 3.93Å; L135-V467 HydrophobicContact CD1-CG1 3.59Å; L135-V467 HydrophobicContact CG-CG1 4.37Å; L135-I629 HydrophobicContact CD2-CD1 4.3Å
136P47.8Very low69Low10 Ų1040.6 Ų40.67%0.06520%0.197CC..THydrogen-bonded Turntrans-57.3151.4166.6-19.733.6000110.1W134 V138 E622 M625 Q626 I629W134-P136 WeakPolarHBondContact O-CD 3.32Å; P136-V138 PolarHBondContact O-N 3.05Å; P136-V138 VanDerWaalsContact O-N 3.16Å; P136-E622 HydrophobicContact CB-CG 4.09Å; P136-E622 HydrophobicContact CG-CG 4.47Å; P136-M625 HydrophobicContact CG-CB 3.93Å; P136-M625 HydrophobicContact CG-SD 4.47Å; P136-Q626 HydrophobicContact CB-CG 3.54Å; P136-I629 HydrophobicContact CG-CD1 4.15Å
137L54.8Low68.8Low52 Ų5239 Ų3927%0.27219%0.19SC..THydrogen-bonded Turntrans76.2-42-170.7-47.7173000115.3S139 R140 Q626L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.85Å; L137-R140 PolarHBondContact O-N 3.3Å; L137-Q626 HydrophobicContact CD2-CB 4.31Å; L137-Q626 HydrophobicContact CD2-CG 3.72Å; L137-Q626 HydrophobicContact CG-CB 4.46Å; L137-Q626 HydrophobicContact CG-CG 3.91Å
138V51.7Low69Low18 Ų1842.9 Ų42.911%0.10920%0.204CC..G310 helixtrans-67.8-32.2175.2178.60000111.6L135 P136 R140 M141 C142 L588L135-V138 HydrophobicContact CB-CB 4.1Å; L135-V138 HydrophobicContact CB-CG2 3.92Å; L135-V138 HydrophobicContact CD1-CG2 4.36Å; L135-V138 PolarHBondContact O-N 3.33Å; P136-V138 PolarHBondContact O-N 3.05Å; P136-V138 VanDerWaalsContact O-N 3.16Å; V138-R140 PolarHBondContact O-N 2.81Å; V138-R140 VanDerWaalsContact O-N 3.16Å; V138-M141 HydrophobicContact CB-CE 4.18Å; V138-M141 HydrophobicContact CG1-CE 4.08Å; V138-M141 HydrophobicContact CG2-CE 4.11Å; V138-M141 PolarHBondContact O-N 2.98Å; V138-C142 PolarHBondContact O-N 3.25Å; V138-C142 PolarHBondContact O-SG 3.32Å; V138-L588 HydrophobicContact CG1-CD2 3.42Å; V138-L588 VanDerWaalsContact CG1-CD2 3.42Å
139S50.7Low69.3Low25 Ų2538.9 Ų38.918%0.17519%0.187CC..G310 helixtrans-56.6-27.4175.362.70000113.8L137 M141 R613L137-S139 VanDerWaalsContact C-N 3.29Å; L137-S139 PolarHBondContact O-N 2.85Å; S139-M141 VanDerWaalsContact C-N 3.33Å; S139-R613 PolarHBondContact O-NH2 3.42Å
140R54.1Low70Confident126 Ų12638.1 Ų38.148%0.47518%0.184SC..G310 helixtrans-72.7-26.1176.6-69-174.6178.3165.12.1113.3L137 V138L137-R140 PolarHBondContact O-N 3.3Å; V138-R140 PolarHBondContact O-N 2.81Å; V138-R140 VanDerWaalsContact O-N 3.16Å
141M55.6Low70.7Confident32 Ų3236.3 Ų36.316%0.15818%0.176CC..THydrogen-bonded Turntrans-93.6-14.8-177.2-54.6-169.1-73.500113.6V138 S139 W171 S587 Y591V138-M141 HydrophobicContact CB-CE 4.18Å; V138-M141 HydrophobicContact CG1-CE 4.08Å; V138-M141 HydrophobicContact CG2-CE 4.11Å; V138-M141 PolarHBondContact O-N 2.98Å; S139-M141 VanDerWaalsContact C-N 3.33Å; M141-W171 PolarHBondContact O-NE1 2.68Å; M141-S587 VanDerWaalsContact CE-O 3.3Å; M141-S587 WeakPolarHBondContact CE-O 3.36Å; M141-Y591 VanDerWaalsContact CE-CB 3.49Å; M141-Y591 HydrophobicContact CE-CD1 3.85Å; M141-Y591 HydrophobicContact CE-CD2 4.01Å; M141-Y591 HydrophobicContact CE-CE1 4.42Å; M141-Y591 HydrophobicContact CE-CG 3.53Å; M141-Y591 HydrophobicContact CG-CE1 4.32Å; M141-Y591 HydrophobicContact SD-CD1 3.08Å; M141-Y591 WeakPolarHBondContact SD-CD1 3.2Å; M141-Y591 HydrophobicContact SD-CD2 3.56Å; M141-Y591 VanDerWaalsContact SD-CD2 3.56Å; M141-Y591 HydrophobicContact SD-CE1 3.1Å; M141-Y591 WeakPolarHBondContact SD-CE1 3.39Å; M141-Y591 HydrophobicContact SD-CE2 3.63Å; M141-Y591 HydrophobicContact SD-CG 3.24Å
142C60.7Low71.7Confident9 Ų936 Ų366%0.06118%0.178CC..SBendtrans-64.6122.8178.2-69.30000109F131 V138 S144F131-C142 HydrophobicContact CB-CB 3.77Å; F131-C142 WeakPolarHBondContact O-CB 3.43Å; V138-C142 PolarHBondContact O-N 3.25Å; V138-C142 PolarHBondContact O-SG 3.32Å; C142-S144 PolarHBondContact O-N 3.11Å
143P67.5Low72.8Confident6 Ų634.7 Ų34.74%0.03917%0.174CC..  trans-63.4143.1177.927.3-32.5000108.7F131 L162 W171F131-P143 HydrophobicContact CD2-CG 3.51Å; F131-P143 WeakPolarHBondContact CD2-O 3.5Å; F131-P143 HydrophobicContact CE2-CG 3.82Å; F131-P143 HydrophobicContact CG-CG 4.14Å; F131-P143 PolarHBondContact N-O 3.24Å; F131-P143 VanDerWaalsContact N-O 3.12Å; P143-L162 HydrophobicContact CB-CD1 4.5Å; P143-L162 HydrophobicContact CB-CD2 3.99Å; P143-W171 HydrophobicContact CB-CD2 3.69Å; P143-W171 VanDerWaalsContact CB-CE2 3.47Å; P143-W171 HydrophobicContact CB-CE3 4.12Å; P143-W171 HydrophobicContact CB-CG 4.16Å; P143-W171 HydrophobicContact CB-CH2 4.16Å; P143-W171 HydrophobicContact CB-CZ2 3.76Å; P143-W171 HydrophobicContact CB-CZ3 4.32Å; P143-W171 HydrophobicContact CG-CD2 4.21Å; P143-W171 HydrophobicContact CG-CH2 3.74Å; P143-W171 HydrophobicContact CG-CZ2 3.29Å; P143-W171 HydrophobicContact CG-CZ3 4.37Å
144S75.1Confident74.1Confident47 Ų4734.2 Ų34.233%0.32917%0.171SC..EExtended strand (participates in β ladder)trans-136.7144.2163.460.80000108.1W129 C142W129-S144 CarbonylContact O-C 3.54Å; W129-S144 WeakPolarHBondContact O-CA 3.44Å; W129-S144 WeakPolarHBondContact O-CB 3.35Å; C142-S144 PolarHBondContact O-N 3.11Å
145D82.2Confident75.8Confident8 Ų828.8 Ų28.84%0.04315%0.154CC..EExtended strand (participates in β ladder)trans-142.3147.8176.6-170.630.4000109.9K128 W129 C147 T160 N161 L162K128-D145 WeakPolarHBondContact CA-O 3.3Å; W129-D145 HydrophobicContact CB-CB 4.45Å; W129-D145 PolarHBondContact N-O 2.83Å; W129-D145 PolarHBondContact O-N 2.88Å; D145-C147 PolarHBondContact OD2-SG 2.93Å; D145-T160 WeakPolarHBondContact OD2-CB 3.33Å; D145-T160 PolarHBondContact OD2-OG1 3.42Å; D145-N161 WeakPolarHBondContact OD1-CB 3.5Å; D145-N161 PolarHBondContact OD1-N 3.39Å; D145-L162 HydrophobicContact CB-CB 4.01Å
146V89.2Confident77.6Confident36 Ų3627.4 Ų27.422%0.21815%0.147CC..EExtended strand (participates in β ladder)trans-117.794.1174.3-178.10000106.6E126 K128 R148E126-V146 HydrophobicContact CB-CG1 4.13Å; E126-V146 HydrophobicContact CG-CG1 4.37Å; K128-V146 HydrophobicContact CB-CG2 4.43Å; K128-V146 HydrophobicContact CG-CG2 4.09Å; V146-R148 HydrophobicContact CG1-CG 4.27Å; V146-R148 PolarHBondContact O-N 2.86Å
147C90.5Very high79.9Confident1 Ų128.3 Ų28.31%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-72.2113.6174.4-74.50000108.9M127 D145 D159 F441M127-C147 HydrophobicContact CB-CB 4.05Å; M127-C147 PolarHBondContact N-O 2.85Å; M127-C147 WeakPolarHBondContact O-CB 3.41Å; M127-C147 PolarHBondContact O-N 2.81Å; D145-C147 PolarHBondContact OD2-SG 2.93Å; C147-D159 CarbonylContact C-O 3.59Å; C147-D159 VanDerWaalsContact CA-O 3.25Å; C147-D159 WeakPolarHBondContact CA-O 3.43Å; C147-F441 HydrophobicContact CB-CZ 4.24Å
148R94.7Very high81.8Confident83 Ų8325.9 Ų25.931%0.31314%0.136SC..EExtended strand (participates in β ladder)trans-99.7130.3179-58.6-176.2177.280.62.6109.4Y124 E126 V146 W150 I158 D159Y124-R148 HydrophobicContact CE2-CB 4.01Å; Y124-R148 WeakPolarHBondContact OH-CD 3.23Å; Y124-R148 WeakPolarHBondContact OH-CG 3.32Å; E126-R148 HydrophobicContact CG-CG 4.19Å; V146-R148 HydrophobicContact CG1-CG 4.27Å; V146-R148 PolarHBondContact O-N 2.86Å; R148-W150 HydrophobicContact CB-CE3 4.31Å; R148-W150 HydrophobicContact CB-CH2 3.41Å; R148-W150 VanDerWaalsContact CB-CH2 3.41Å; R148-W150 HydrophobicContact CB-CZ2 4.3Å; R148-W150 HydrophobicContact CB-CZ3 3.41Å; R148-W150 VanDerWaalsContact CB-CZ3 3.41Å; R148-W150 HydrophobicContact CG-CH2 4.29Å; R148-W150 VanDerWaalsContact O-CZ3 3.3Å; R148-W150 WeakPolarHBondContact O-CZ3 3.38Å; R148-I158 CarbonylContact O-C 3.51Å; R148-I158 VanDerWaalsContact O-CA 3.28Å; R148-I158 WeakPolarHBondContact O-CA 3.43Å; R148-D159 HydrophobicContact CB-CB 4.33Å; R148-D159 PolarHBondContact N-O 2.94Å; R148-D159 PolarHBondContact O-N 2.78Å
149V95.8Very high83.7Confident0 Ų026.1 Ų26.10%014%0.137CC..EExtended strand (participates in β ladder)trans-123122.6-174-173.20000110.5Y124 I125 M127 V156 R157 I158 I430Y124-V149 CarbonylContact C-O 3.55Å; Y124-V149 VanDerWaalsContact CA-O 3.25Å; Y124-V149 WeakPolarHBondContact CA-O 3.17Å; Y124-V149 VanDerWaalsContact CD2-O 3.29Å; Y124-V149 WeakPolarHBondContact CD2-O 3.49Å; I125-V149 HydrophobicContact CG2-CB 3.95Å; I125-V149 HydrophobicContact CG2-CG2 4.46Å; I125-V149 PolarHBondContact N-O 2.89Å; I125-V149 PolarHBondContact O-N 3.15Å; M127-V149 HydrophobicContact SD-CG2 4.42Å; V149-V156 HydrophobicContact CG1-CG1 4.2Å; V149-R157 CarbonylContact C-O 3.48Å; V149-R157 WeakPolarHBondContact CA-O 2.88Å; V149-I158 HydrophobicContact CG1-CG1 4.03Å; V149-I158 HydrophobicContact CG2-CG1 4.18Å; V149-I158 HydrophobicContact CG2-CG2 4.3Å; V149-I430 HydrophobicContact CG1-CD1 3.86Å; V149-I430 HydrophobicContact CG1-CG2 3.99Å; V149-I430 HydrophobicContact CG2-CG2 4.43Å
150W97.2Very high85.4Confident11 Ų1125.1 Ų25.14%0.04213%0.13CC..EExtended strand (participates in β ladder)trans-109.8127.4169.5-62.1-104.8000108.6Y124 R148 V156 R157 D159 V484 I548 V552 F553Y124-W150 AromaticContact CD2-CD1 3.58Å; Y124-W150 AromaticContact CD2-CD2 3.73Å; Y124-W150 HydrophobicContact CD2-CD2 3.73Å; Y124-W150 AromaticContact CD2-CE2 3.52Å; Y124-W150 AromaticContact CD2-CG 3.79Å; Y124-W150 HydrophobicContact CD2-CG 3.79Å; Y124-W150 HydrophobicContact CD2-CZ2 4.14Å; Y124-W150 AromaticContact CD2-NE1 3.42Å; Y124-W150 AromaticContact CE2-CD2 3.84Å; Y124-W150 HydrophobicContact CE2-CD2 3.84Å; Y124-W150 AromaticContact CE2-CE2 3.39Å; Y124-W150 HydrophobicContact CE2-CE3 4.31Å; Y124-W150 HydrophobicContact CE2-CG 4.39Å; Y124-W150 HydrophobicContact CE2-CH2 4.04Å; Y124-W150 AromaticContact CE2-CZ2 3.52Å; Y124-W150 HydrophobicContact CE2-CZ2 3.52Å; Y124-W150 HydrophobicContact CE2-CZ3 4.4Å; Y124-W150 AromaticContact CE2-NE1 3.71Å; R148-W150 HydrophobicContact CB-CE3 4.31Å; R148-W150 HydrophobicContact CB-CH2 3.41Å; R148-W150 VanDerWaalsContact CB-CH2 3.41Å; R148-W150 HydrophobicContact CB-CZ2 4.3Å; R148-W150 HydrophobicContact CB-CZ3 3.41Å; R148-W150 VanDerWaalsContact CB-CZ3 3.41Å; R148-W150 HydrophobicContact CG-CH2 4.29Å; R148-W150 VanDerWaalsContact O-CZ3 3.3Å; R148-W150 WeakPolarHBondContact O-CZ3 3.38Å; W150-V156 CarbonylContact O-C 3.58Å; W150-V156 VanDerWaalsContact O-CA 3.32Å; W150-V156 WeakPolarHBondContact O-CA 3.04Å; W150-R157 HydrophobicContact CB-CB 4.34Å; W150-R157 HydrophobicContact CE3-CB 4.3Å; W150-R157 HydrophobicContact CE3-CG 3.95Å; W150-R157 HydrophobicContact CZ3-CG 4.37Å; W150-R157 PolarHBondContact N-O 3.1Å; W150-R157 PolarHBondContact O-N 3.12Å; W150-D159 HydrophobicContact CH2-CB 4.25Å; W150-D159 WeakPolarHBondContact CH2-OD2 3.3Å; W150-D159 HydrophobicContact CZ3-CB 3.83Å; W150-D159 VanDerWaalsContact CZ3-CG 3.42Å; W150-D159 WeakPolarHBondContact CZ3-OD2 3.12Å; W150-V484 HydrophobicContact CZ2-CG1 3.74Å; W150-I548 HydrophobicContact CB-CD1 4.14Å; W150-V552 HydrophobicContact CB-CG1 4.05Å; W150-V552 HydrophobicContact CD2-CG1 4Å; W150-V552 HydrophobicContact CG-CG1 3.63Å; W150-F553 HydrophobicContact CB-CZ 4.24Å
151K95.9Very high86.7Confident0 Ų021.2 Ų21.20%012%0.118CC..EExtended strand (participates in β ladder)trans-122.9121.7173.7179.3-89.1168.4-166.20109L117 T120 P121 D122 F123 G153 N155 V156 I548L117-K151 HydrophobicContact CD2-CG 4.49Å; L117-K151 WeakPolarHBondContact O-CE 3.49Å; L117-K151 PolarHBondContact O-NZ 3.38Å; T120-K151 PolarHBondContact O-NZ 2.81Å; T120-K151 VanDerWaalsContact OG1-CE 3.23Å; T120-K151 WeakPolarHBondContact OG1-CE 3.38Å; T120-K151 PolarHBondContact OG1-NZ 3.05Å; P121-K151 WeakPolarHBondContact O-CD 3.36Å; P121-K151 PolarHBondContact O-NZ 2.74Å; D122-K151 WeakPolarHBondContact CA-O 3.47Å; D122-K151 WeakPolarHBondContact CB-O 3.21Å; D122-K151 IonicContact OD1-NZ 2.76Å; D122-K151 PolarHBondContact OD1-NZ 2.93Å; F123-K151 HydrophobicContact CD1-CB 4.08Å; F123-K151 HydrophobicContact CD1-CD 3.87Å; F123-K151 HydrophobicContact CD1-CG 4.36Å; F123-K151 HydrophobicContact CE1-CB 3.84Å; F123-K151 HydrophobicContact CE1-CD 3.77Å; F123-K151 HydrophobicContact CE1-CG 3.93Å; F123-K151 HydrophobicContact CZ-CB 4.14Å; F123-K151 PolarHBondContact N-O 2.88Å; F123-K151 VanDerWaalsContact N-O 3.12Å; F123-K151 PolarHBondContact O-N 2.77Å; K151-G153 WeakPolarHBondContact CE-O 3.25Å; K151-N155 WeakPolarHBondContact CA-O 3.2Å; K151-V156 HydrophobicContact CG-CG2 4.32Å; K151-I548 WeakPolarHBondContact O-CD1 3.46Å
152C94.8Very high87.5Confident31 Ų3120.4 Ų20.421%0.20912%0.115CC..EExtended strand (participates in β ladder)trans-136.9113.3175.1-174.40000110.8D122 S154 N155 I548 F553D122-C152 WeakPolarHBondContact OD1-CA 3.41Å; D122-C152 PolarHBondContact OD2-SG 3.45Å; C152-S154 PolarHBondContact O-N 3.31Å; C152-N155 PolarHBondContact N-O 2.68Å; C152-N155 WeakPolarHBondContact O-CA 3.01Å; C152-N155 WeakPolarHBondContact O-CB 3.27Å; C152-N155 PolarHBondContact O-N 3.29Å; C152-I548 HydrophobicContact CB-CB 4.09Å; C152-I548 HydrophobicContact CB-CD1 4.38Å; C152-I548 HydrophobicContact CB-CG2 4.4Å; C152-F553 HydrophobicContact CB-CE2 3.57Å; C152-F553 HydrophobicContact CB-CZ 3.75Å
153G92.2Very high87.8Confident25 Ų2523.3 Ų23.326%0.25813%0.129SC..THydrogen-bonded Turntrans55.9-121-172.700000111.8L117 R118 D122 K151L117-G153 CarbonylContact C-O 3.55Å; R118-G153 WeakPolarHBondContact CA-O 3.19Å; D122-G153 PolarHBondContact OD1-N 3.11Å; K151-G153 WeakPolarHBondContact CE-O 3.25Å
154S90.5Very high87.6Confident9 Ų924.3 Ų24.36%0.06314%0.14CC..THydrogen-bonded Turntrans-91.62172.9-730000114L114 R118 C152L114-S154 WeakPolarHBondContact CD2-O 3.11Å; L114-S154 PolarHBondContact O-OG 3.42Å; R118-S154 WeakPolarHBondContact CB-OG 3.31Å; R118-S154 PolarHBondContact NE-OG 2.9Å; R118-S154 PolarHBondContact NH2-OG 3.16Å; R118-S154 VanDerWaalsContact NH2-OG 3.15Å; C152-S154 PolarHBondContact O-N 3.31Å
155N93.8Very high86.6Confident47 Ų4723.1 Ų23.125%0.25113%0.129SC..EExtended strand (participates in β ladder)trans-95.3131.9-178.4-59.5-32.8000109.7K151 C152 F180 F553K151-N155 WeakPolarHBondContact CA-O 3.2Å; C152-N155 PolarHBondContact N-O 2.68Å; C152-N155 WeakPolarHBondContact O-CA 3.01Å; C152-N155 WeakPolarHBondContact O-CB 3.27Å; C152-N155 PolarHBondContact O-N 3.29Å; N155-F180 WeakPolarHBondContact CA-O 3.47Å; N155-F553 HydrophobicContact CB-CD1 3.82Å; N155-F553 HydrophobicContact CB-CD2 4.49Å; N155-F553 HydrophobicContact CB-CE1 3.65Å; N155-F553 HydrophobicContact CB-CE2 4.36Å; N155-F553 HydrophobicContact CB-CG 4.23Å; N155-F553 HydrophobicContact CB-CZ 3.94Å
156V95.4Very high85Confident0 Ų025.4 Ų25.40%014%0.142CC..EExtended strand (participates in β ladder)trans-129.3130.9177.8-173.90000108.3L114 L117 V149 W150 K151 I158 M179 F180 I430 L433L114-V156 HydrophobicContact CD2-CG2 4.15Å; L117-V156 HydrophobicContact CD1-CG2 3.62Å; V149-V156 HydrophobicContact CG1-CG1 4.2Å; W150-V156 CarbonylContact O-C 3.58Å; W150-V156 VanDerWaalsContact O-CA 3.32Å; W150-V156 WeakPolarHBondContact O-CA 3.04Å; K151-V156 HydrophobicContact CG-CG2 4.32Å; V156-I158 HydrophobicContact CG1-CD1 4.03Å; V156-I158 HydrophobicContact CG1-CG1 3.94Å; V156-M179 CarbonylContact O-C 3.6Å; V156-M179 WeakPolarHBondContact O-CA 3.45Å; V156-F180 HydrophobicContact CB-CB 4.28Å; V156-F180 HydrophobicContact CB-CD2 4.39Å; V156-F180 PolarHBondContact N-O 3.36Å; V156-F180 PolarHBondContact O-N 2.84Å; V156-I430 HydrophobicContact CG1-CG1 4.44Å; V156-L433 HydrophobicContact CG2-CD1 4.27Å
157R95.5Very high83Confident29 Ų2925.9 Ų25.911%0.10915%0.154CC..EExtended strand (participates in β ladder)trans-121.8133.1172.9171.7177.1171.1164.50.7108.5V149 W150 D159 S177 Y178 M179 V552 F553V149-R157 CarbonylContact C-O 3.48Å; V149-R157 WeakPolarHBondContact CA-O 2.88Å; W150-R157 HydrophobicContact CB-CB 4.34Å; W150-R157 HydrophobicContact CE3-CB 4.3Å; W150-R157 HydrophobicContact CE3-CG 3.95Å; W150-R157 HydrophobicContact CZ3-CG 4.37Å; W150-R157 PolarHBondContact N-O 3.1Å; W150-R157 PolarHBondContact O-N 3.12Å; R157-D159 WeakPolarHBondContact CG-OD1 3.1Å; R157-D159 IonicContact CZ-OD1 3.55Å; R157-D159 IonicContact CZ-OD2 3.46Å; R157-D159 IonicContact NE-OD1 2.73Å; R157-D159 PolarHBondContact NE-OD1 3.43Å; R157-D159 IonicContact NE-OD2 3.96Å; R157-D159 PolarHBondContact NE-OD2 3.25Å; R157-D159 IonicContact NH2-OD1 3.42Å; R157-D159 PolarHBondContact NH2-OD1 3.44Å; R157-D159 IonicContact NH2-OD2 2.78Å; R157-D159 PolarHBondContact NH2-OD2 2.81Å; R157-S177 PolarHBondContact NH2-OG 3.16Å; R157-Y178 CarbonylContact C-O 3.57Å; R157-Y178 WeakPolarHBondContact CA-O 3.39Å; R157-M179 HydrophobicContact CB-CG 4.29Å; R157-M179 HydrophobicContact CG-CG 4.06Å; R157-V552 VanDerWaalsContact CD-O 3.23Å; R157-V552 WeakPolarHBondContact CD-O 3.5Å; R157-V552 PolarHBondContact NH1-O 3.13Å; R157-F553 HydrophobicContact CB-CD1 3.96Å; R157-F553 HydrophobicContact CB-CE1 3.75Å
158I94Very high80.8Confident0 Ų029.9 Ų29.90%018%0.182CC..EExtended strand (participates in β ladder)trans-131.4110.9-178.1-56.8172.5000107.9R148 V149 V156 S177 Y178 F180 I430 M434R148-I158 CarbonylContact O-C 3.51Å; R148-I158 VanDerWaalsContact O-CA 3.28Å; R148-I158 WeakPolarHBondContact O-CA 3.43Å; V149-I158 HydrophobicContact CG1-CG1 4.03Å; V149-I158 HydrophobicContact CG2-CG1 4.18Å; V149-I158 HydrophobicContact CG2-CG2 4.3Å; V156-I158 HydrophobicContact CG1-CD1 4.03Å; V156-I158 HydrophobicContact CG1-CG1 3.94Å; I158-S177 CarbonylContact O-C 3.53Å; I158-S177 WeakPolarHBondContact O-CA 3.4Å; I158-Y178 PolarHBondContact N-O 2.73Å; I158-Y178 PolarHBondContact O-N 2.77Å; I158-F180 HydrophobicContact CD1-CE2 4.3Å; I158-I430 HydrophobicContact CD1-CG2 3.81Å; I158-M434 HydrophobicContact CB-SD 4.29Å; I158-M434 HydrophobicContact CD1-CG 3.21Å; I158-M434 HydrophobicContact CD1-SD 3.56Å; I158-M434 VanDerWaalsContact CD1-SD 3.56Å; I158-M434 HydrophobicContact CG1-CG 4.47Å; I158-M434 HydrophobicContact CG1-SD 4.49Å; I158-M434 HydrophobicContact CG2-CE 4.37Å; I158-M434 HydrophobicContact CG2-CG 4.41Å; I158-M434 HydrophobicContact CG2-SD 4.3Å
159D92.6Very high78.7Confident24 Ų2426.2 Ų26.213%0.12817%0.169CC..EExtended strand (participates in β ladder)trans-97.9130.8178.7-67.36.8000109.4C147 R148 W150 R157 L176 S177C147-D159 CarbonylContact C-O 3.59Å; C147-D159 VanDerWaalsContact CA-O 3.25Å; C147-D159 WeakPolarHBondContact CA-O 3.43Å; R148-D159 HydrophobicContact CB-CB 4.33Å; R148-D159 PolarHBondContact N-O 2.94Å; R148-D159 PolarHBondContact O-N 2.78Å; W150-D159 HydrophobicContact CH2-CB 4.25Å; W150-D159 WeakPolarHBondContact CH2-OD2 3.3Å; W150-D159 HydrophobicContact CZ3-CB 3.83Å; W150-D159 VanDerWaalsContact CZ3-CG 3.42Å; W150-D159 WeakPolarHBondContact CZ3-OD2 3.12Å; R157-D159 WeakPolarHBondContact CG-OD1 3.1Å; R157-D159 IonicContact CZ-OD1 3.55Å; R157-D159 IonicContact CZ-OD2 3.46Å; R157-D159 IonicContact NE-OD1 2.73Å; R157-D159 PolarHBondContact NE-OD1 3.43Å; R157-D159 IonicContact NE-OD2 3.96Å; R157-D159 PolarHBondContact NE-OD2 3.25Å; R157-D159 IonicContact NH2-OD1 3.42Å; R157-D159 PolarHBondContact NH2-OD1 3.44Å; R157-D159 IonicContact NH2-OD2 2.78Å; R157-D159 PolarHBondContact NH2-OD2 2.81Å; D159-L176 CarbonylContact C-O 3.57Å; D159-L176 WeakPolarHBondContact CA-O 3.08Å; D159-S177 VanDerWaalsContact OD1-CB 3.25Å; D159-S177 WeakPolarHBondContact OD1-CB 3.46Å; D159-S177 PolarHBondContact OD1-OG 2.83Å
160T87Confident76.6Confident3 Ų327.5 Ų27.52%0.01818%0.178CC..EExtended strand (participates in β ladder)trans-131.9148.9176.3173.80000110.3D145 L162 L176 Y178D145-T160 WeakPolarHBondContact OD2-CB 3.33Å; D145-T160 PolarHBondContact OD2-OG1 3.42Å; T160-L162 PolarHBondContact OG1-N 3.4Å; T160-L176 HydrophobicContact CG2-CB 3.89Å; T160-L176 HydrophobicContact CG2-CD2 4.29Å; T160-L176 PolarHBondContact N-O 2.61Å; T160-L176 PolarHBondContact O-N 3.33Å; T160-Y178 HydrophobicContact CG2-CD2 4.26Å; T160-Y178 HydrophobicContact CG2-CE2 3.76Å
161N81Confident74.9Confident45 Ų4528.6 Ų28.624%0.24118%0.182CC..EExtended strand (participates in β ladder)trans-104.6-7.5178.8-69.172.6000113.6D145 R173 G174D145-N161 WeakPolarHBondContact OD1-CB 3.5Å; D145-N161 PolarHBondContact OD1-N 3.39Å; N161-R173 VanDerWaalsContact O-CA 3.22Å; N161-R173 WeakPolarHBondContact O-CA 3.02Å; N161-G174 CarbonylContact C-O 3.56Å; N161-G174 WeakPolarHBondContact CA-O 3.31Å; N161-G174 PolarHBondContact O-N 3.38Å
162L71.7Confident73.4Confident15 Ų1531.5 Ų31.58%0.07920%0.2CC..EExtended strand (participates in β ladder)trans-105.5104.8-175.4-168.666.4000110P143 D145 T160 W171 Y440P143-L162 HydrophobicContact CB-CD1 4.5Å; P143-L162 HydrophobicContact CB-CD2 3.99Å; D145-L162 HydrophobicContact CB-CB 4.01Å; T160-L162 PolarHBondContact OG1-N 3.4Å; L162-W171 HydrophobicContact CD1-CB 3.82Å; L162-W171 HydrophobicContact CD1-CD2 4.14Å; L162-W171 HydrophobicContact CD1-CE3 3.76Å; L162-W171 HydrophobicContact CD1-CG 4.17Å; L162-W171 HydrophobicContact CD2-CE3 4.21Å; L162-W171 HydrophobicContact CD2-CZ3 4.39Å; L162-W171 HydrophobicContact CG-CE3 4.3Å; L162-Y440 HydrophobicContact CD2-CE2 3.8Å
163L66.7Low72.4Confident69 Ų6936.4 Ų36.436%0.36121%0.214SC..EExtended strand (participates in β ladder)trans-86-30.4-176.6-62.5-178.9000113.1V172 L176L163-V172 HydrophobicContact CB-CB 4.38Å; L163-V172 HydrophobicContact CB-CG1 4.1Å; L163-V172 WeakPolarHBondContact CB-O 3.49Å; L163-V172 HydrophobicContact CD1-CG1 4.17Å; L163-V172 PolarHBondContact N-O 3.49Å; L163-L176 HydrophobicContact CD2-CB 3.67Å; L163-L176 HydrophobicContact CD2-CD1 4.25Å; L163-L176 HydrophobicContact CD2-CD2 3.86Å; L163-L176 HydrophobicContact CD2-CG 4.17Å
164G63.1Low71.7Confident27 Ų2735.5 Ų35.528%0.27821%0.205SC..EExtended strand (participates in β ladder)trans163.3-161-178.200000113.2V172G164-V172 PolarHBondContact N-O 3.29Å; G164-V172 PolarHBondContact O-N 2.99Å
165F55Low71.5Confident22 Ų2240.2 Ų40.210%0.09623%0.225CC..EExtended strand (participates in β ladder)trans-126.7128.7-178.7-179.3-101.2000109.8A169 W171 A583F165-A169 HydrophobicContact CZ-CB 4.18Å; F165-W171 HydrophobicContact CB-CE3 4.23Å; F165-W171 HydrophobicContact CB-CZ3 4.15Å; F165-W171 HydrophobicContact CD2-CD2 4.15Å; F165-W171 HydrophobicContact CD2-CE3 4.18Å; F165-W171 HydrophobicContact CD2-CH2 4.39Å; F165-W171 HydrophobicContact CD2-CZ2 4.33Å; F165-W171 HydrophobicContact CD2-CZ3 4.32Å; F165-A583 HydrophobicContact CB-CB 4.23Å; F165-A583 HydrophobicContact CD1-CB 3.24Å; F165-A583 HydrophobicContact CD2-CB 3.57Å; F165-A583 HydrophobicContact CE1-CB 3.15Å; F165-A583 HydrophobicContact CE2-CB 3.48Å; F165-A583 VanDerWaalsContact CE2-CB 3.48Å; F165-A583 HydrophobicContact CG-CB 3.41Å; F165-A583 VanDerWaalsContact CG-CB 3.41Å; F165-A583 VanDerWaalsContact CZ-CA 3.43Å; F165-A583 HydrophobicContact CZ-CB 3.24Å
166N49.3Very low71.2Confident56 Ų5638.2 Ų38.230%0.29922%0.215SC..EExtended strand (participates in β ladder)trans-79.8133.3165.466.129000108.3S168 A169 S170 V172N166-S168 PolarHBondContact O-N 3.23Å; N166-S168 PolarHBondContact OD1-OG 3.43Å; N166-S168 VanDerWaalsContact OD1-OG 3.12Å; N166-A169 PolarHBondContact O-N 2.96Å; N166-S170 VanDerWaalsContact CG-O 3.24Å; N166-S170 PolarHBondContact N-O 2.99Å; N166-S170 PolarHBondContact ND2-OG 3.23Å; N166-S170 WeakPolarHBondContact OD1-CA 3.28Å; N166-S170 PolarHBondContact OD1-N 3.14Å; N166-S170 PolarHBondContact OD1-O 3.44Å; N166-S170 PolarHBondContact OD1-OG 2.9Å; N166-V172 HydrophobicContact CB-CG2 4.24Å
167G46.4Very low71Confident46 Ų4638.3 Ų38.347%0.47422%0.216SC..THydrogen-bonded Turntrans-55.2-7-174.700000116.1
168S45.4Very low70.8Confident85 Ų8537.9 Ų37.959%0.59421%0.214SC*.THydrogen-bonded Turntrans-98.924176.562.90000114.5N166N166-S168 PolarHBondContact O-N 3.23Å; N166-S168 PolarHBondContact OD1-OG 3.43Å; N166-S168 VanDerWaalsContact OD1-OG 3.12Å
169A49.3Very low70.7Confident6 Ų637.9 Ų37.95%0.0521%0.214CC..THydrogen-bonded Turntrans79.228.1168.700000119F165 N166 Y591F165-A169 HydrophobicContact CZ-CB 4.18Å; N166-A169 PolarHBondContact O-N 2.96Å; A169-Y591 HydrophobicContact CB-CE2 3.48Å; A169-Y591 VanDerWaalsContact CB-CE2 3.48Å; A169-Y591 WeakPolarHBondContact CB-OH 3.4Å; A169-Y591 PolarHBondContact O-OH 3.17Å
170S52Low70.7Confident27 Ų2736.8 Ų36.819%0.18921%0.208CC..EExtended strand (participates in β ladder)trans-130141.916755.80000112.2N166N166-S170 VanDerWaalsContact CG-O 3.24Å; N166-S170 PolarHBondContact N-O 2.99Å; N166-S170 PolarHBondContact ND2-OG 3.23Å; N166-S170 WeakPolarHBondContact OD1-CA 3.28Å; N166-S170 PolarHBondContact OD1-N 3.14Å; N166-S170 PolarHBondContact OD1-O 3.44Å; N166-S170 PolarHBondContact OD1-OG 2.9Å
171W62.3Low70.7Confident35 Ų3539 Ų3913%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-75.4126.5178.4-64.4100000110M141 P143 L162 F165 R173 Y440 V580 V584M141-W171 PolarHBondContact O-NE1 2.68Å; P143-W171 HydrophobicContact CB-CD2 3.69Å; P143-W171 VanDerWaalsContact CB-CE2 3.47Å; P143-W171 HydrophobicContact CB-CE3 4.12Å; P143-W171 HydrophobicContact CB-CG 4.16Å; P143-W171 HydrophobicContact CB-CH2 4.16Å; P143-W171 HydrophobicContact CB-CZ2 3.76Å; P143-W171 HydrophobicContact CB-CZ3 4.32Å; P143-W171 HydrophobicContact CG-CD2 4.21Å; P143-W171 HydrophobicContact CG-CH2 3.74Å; P143-W171 HydrophobicContact CG-CZ2 3.29Å; P143-W171 HydrophobicContact CG-CZ3 4.37Å; L162-W171 HydrophobicContact CD1-CB 3.82Å; L162-W171 HydrophobicContact CD1-CD2 4.14Å; L162-W171 HydrophobicContact CD1-CE3 3.76Å; L162-W171 HydrophobicContact CD1-CG 4.17Å; L162-W171 HydrophobicContact CD2-CE3 4.21Å; L162-W171 HydrophobicContact CD2-CZ3 4.39Å; L162-W171 HydrophobicContact CG-CE3 4.3Å; F165-W171 HydrophobicContact CB-CE3 4.23Å; F165-W171 HydrophobicContact CB-CZ3 4.15Å; F165-W171 HydrophobicContact CD2-CD2 4.15Å; F165-W171 HydrophobicContact CD2-CE3 4.18Å; F165-W171 HydrophobicContact CD2-CH2 4.39Å; F165-W171 HydrophobicContact CD2-CZ2 4.33Å; F165-W171 HydrophobicContact CD2-CZ3 4.32Å; W171-R173 PolarHBondContact O-N 3.28Å; W171-Y440 WeakPolarHBondContact CZ3-OH 3.41Å; W171-V580 HydrophobicContact CH2-CG1 4.32Å; W171-V584 HydrophobicContact CH2-CG2 4.35Å; W171-V584 HydrophobicContact CZ2-CG2 4.2Å
172V63.3Low70.8Confident61 Ų6138.7 Ų38.737%0.3722%0.22SC..EExtended strand (participates in β ladder)trans-77.8111.1171.9-174.70000107.2L163 G164 N166L163-V172 HydrophobicContact CB-CB 4.38Å; L163-V172 HydrophobicContact CB-CG1 4.1Å; L163-V172 WeakPolarHBondContact CB-O 3.49Å; L163-V172 HydrophobicContact CD1-CG1 4.17Å; L163-V172 PolarHBondContact N-O 3.49Å; G164-V172 PolarHBondContact N-O 3.29Å; G164-V172 PolarHBondContact O-N 2.99Å; N166-V172 HydrophobicContact CB-CG2 4.24Å
173R74.8Confident70.8Confident133 Ų13339.7 Ų39.750%0.50223%0.234SC..EExtended strand (participates in β ladder)trans-98.2145.2172.9-71.6-169.7168.5116-2.7110.6N161 W171N161-R173 VanDerWaalsContact O-CA 3.22Å; N161-R173 WeakPolarHBondContact O-CA 3.02Å; W171-R173 PolarHBondContact O-N 3.28Å
174G76.5Confident70.9Confident6 Ų646.5 Ų46.56%0.06226%0.264CS..EExtended strand (participates in β ladder)trans-160.3-167.8174.500000110.6N161N161-G174 CarbonylContact C-O 3.56Å; N161-G174 WeakPolarHBondContact CA-O 3.31Å; N161-G174 PolarHBondContact O-N 3.38Å
175H87Confident71.1Confident108 Ų10850 Ų5050%0.528%0.284SS..EExtended strand (participates in β ladder)trans-121.298.2177.8-66.3-77.8000108.3H194 T195H175-H194 HydrophobicContact CB-CB 3.84Å; H175-H194 WeakPolarHBondContact O-CB 3.46Å; H175-H194 PolarHBondContact O-CD2 3.34Å; H175-H194 PolarHBondContact O-N 3.34Å; H175-T195 PolarHBondContact N-OG1 2.82Å
176L87.5Confident72Confident6 Ų649.5 Ų49.53%0.03129%0.285CS..EExtended strand (participates in β ladder)trans-113.1136.5-178.3-160.365.7000110D159 T160 L163 Y178 E191 V192 N193D159-L176 CarbonylContact C-O 3.57Å; D159-L176 WeakPolarHBondContact CA-O 3.08Å; T160-L176 HydrophobicContact CG2-CB 3.89Å; T160-L176 HydrophobicContact CG2-CD2 4.29Å; T160-L176 PolarHBondContact N-O 2.61Å; T160-L176 PolarHBondContact O-N 3.33Å; L163-L176 HydrophobicContact CD2-CB 3.67Å; L163-L176 HydrophobicContact CD2-CD1 4.25Å; L163-L176 HydrophobicContact CD2-CD2 3.86Å; L163-L176 HydrophobicContact CD2-CG 4.17Å; L176-Y178 HydrophobicContact CD2-CD2 4.46Å; L176-Y178 HydrophobicContact CD2-CE1 4.23Å; L176-Y178 HydrophobicContact CD2-CE2 3.51Å; L176-Y178 WeakPolarHBondContact CD2-OH 3.23Å; L176-Y178 HydrophobicContact CG-CE2 4.08Å; L176-E191 HydrophobicContact CD1-CG 3.57Å; L176-E191 HydrophobicContact CD2-CG 4.21Å; L176-E191 HydrophobicContact CG-CG 4.07Å; L176-V192 WeakPolarHBondContact CA-O 3.22Å; L176-N193 HydrophobicContact CD1-CB 3.97Å
177S91Very high73.5Confident2 Ų247.1 Ų47.11%0.01427%0.273CS..EExtended strand (participates in β ladder)trans-124.6122.6172.6-67.90000110.1R157 I158 D159 V192 H194R157-S177 PolarHBondContact NH2-OG 3.16Å; I158-S177 CarbonylContact O-C 3.53Å; I158-S177 WeakPolarHBondContact O-CA 3.4Å; D159-S177 VanDerWaalsContact OD1-CB 3.25Å; D159-S177 WeakPolarHBondContact OD1-CB 3.46Å; D159-S177 PolarHBondContact OD1-OG 2.83Å; S177-V192 PolarHBondContact N-O 3.33Å; S177-V192 PolarHBondContact O-N 3.37Å; S177-H194 WeakPolarHBondContact CB-NE2 3.25Å; S177-H194 PolarHBondContact OG-NE2 3.37Å
178Y91.1Very high75.2Confident20 Ų2047.7 Ų47.78%0.07826%0.261CS..EExtended strand (participates in β ladder)trans-93.2121.3169.4-62.7-85.8000108.9R157 I158 T160 L176 M189 D190 E191 M434R157-Y178 CarbonylContact C-O 3.57Å; R157-Y178 WeakPolarHBondContact CA-O 3.39Å; I158-Y178 PolarHBondContact N-O 2.73Å; I158-Y178 PolarHBondContact O-N 2.77Å; T160-Y178 HydrophobicContact CG2-CD2 4.26Å; T160-Y178 HydrophobicContact CG2-CE2 3.76Å; L176-Y178 HydrophobicContact CD2-CD2 4.46Å; L176-Y178 HydrophobicContact CD2-CE1 4.23Å; L176-Y178 HydrophobicContact CD2-CE2 3.51Å; L176-Y178 WeakPolarHBondContact CD2-OH 3.23Å; L176-Y178 HydrophobicContact CG-CE2 4.08Å; Y178-M189 HydrophobicContact CD1-CE 4.44Å; Y178-M189 HydrophobicContact CD1-SD 4.17Å; Y178-D190 WeakPolarHBondContact CA-O 3.45Å; Y178-E191 HydrophobicContact CD1-CB 4.37Å; Y178-E191 HydrophobicContact CD1-CG 4.42Å; Y178-E191 HydrophobicContact CE1-CB 4.33Å; Y178-E191 HydrophobicContact CE1-CG 4.03Å; Y178-M434 HydrophobicContact CD1-CE 4.47Å; Y178-M434 HydrophobicContact CD2-CE 3.45Å; Y178-M434 VanDerWaalsContact CD2-CE 3.45Å; Y178-M434 HydrophobicContact CD2-SD 4.11Å; Y178-M434 HydrophobicContact CE2-CE 3.65Å; Y178-M434 HydrophobicContact CG-CE 3.87Å; Y178-M434 HydrophobicContact CG-SD 3.99Å
179M91.8Very high77.2Confident0 Ų043.6 Ų43.60%023%0.233CC..EExtended strand (participates in β ladder)trans-123.4110-175.4-61.7176.563.700110.5V156 R157 M189 D190 V192 F553 V555V156-M179 CarbonylContact O-C 3.6Å; V156-M179 WeakPolarHBondContact O-CA 3.45Å; R157-M179 HydrophobicContact CB-CG 4.29Å; R157-M179 HydrophobicContact CG-CG 4.06Å; M179-M189 CarbonylContact O-C 3.58Å; M179-M189 WeakPolarHBondContact O-CA 3.5Å; M179-D190 HydrophobicContact CB-CB 4.31Å; M179-D190 PolarHBondContact N-O 2.96Å; M179-D190 PolarHBondContact O-N 3.44Å; M179-V192 HydrophobicContact SD-CG2 3.87Å; M179-F553 VanDerWaalsContact CE-C 3.4Å; M179-F553 VanDerWaalsContact CE-CA 3.44Å; M179-F553 HydrophobicContact CE-CB 4Å; M179-F553 HydrophobicContact CE-CD1 4.48Å; M179-F553 WeakPolarHBondContact CE-O 3.26Å; M179-V555 HydrophobicContact CE-CG2 4.12Å; M179-V555 HydrophobicContact SD-CG2 3.54Å; M179-V555 VanDerWaalsContact SD-CG2 3.54Å
180F91.9Very high79Confident0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-96.5129.6176.5-59-94.1000109.9V110 L114 N155 V156 I158 M189 L433 M434 Y437V110-F180 HydrophobicContact CG1-CD1 4.43Å; L114-F180 HydrophobicContact CD1-CB 4.42Å; L114-F180 HydrophobicContact CD2-CB 3.84Å; N155-F180 WeakPolarHBondContact CA-O 3.47Å; V156-F180 HydrophobicContact CB-CB 4.28Å; V156-F180 HydrophobicContact CB-CD2 4.39Å; V156-F180 PolarHBondContact N-O 3.36Å; V156-F180 PolarHBondContact O-N 2.84Å; I158-F180 HydrophobicContact CD1-CE2 4.3Å; F180-M189 HydrophobicContact CD1-CB 3.97Å; F180-M189 HydrophobicContact CD1-CG 3.82Å; F180-M189 HydrophobicContact CD1-SD 4.42Å; F180-M189 HydrophobicContact CE1-CB 3.96Å; F180-M189 HydrophobicContact CE1-CG 3.52Å; F180-M189 HydrophobicContact CE1-SD 3.53Å; F180-M189 VanDerWaalsContact CE1-SD 3.53Å; F180-M189 HydrophobicContact CE2-CG 4.33Å; F180-M189 HydrophobicContact CE2-SD 4.43Å; F180-M189 HydrophobicContact CG-CG 4.35Å; F180-M189 HydrophobicContact CZ-CG 3.8Å; F180-M189 HydrophobicContact CZ-SD 3.53Å; F180-M189 VanDerWaalsContact CZ-SD 3.53Å; F180-L433 HydrophobicContact CD1-CD2 4.03Å; F180-L433 HydrophobicContact CD2-CD1 4.48Å; F180-L433 HydrophobicContact CE1-CB 4.22Å; F180-L433 HydrophobicContact CE1-CD2 4.17Å; F180-L433 HydrophobicContact CE2-CB 4.29Å; F180-L433 HydrophobicContact CG-CD1 4.35Å; F180-L433 HydrophobicContact CZ-CB 4.05Å; F180-M434 HydrophobicContact CE2-SD 3.89Å; F180-M434 HydrophobicContact CZ-SD 4.13Å; F180-Y437 HydrophobicContact CE1-CE2 4.16Å; F180-Y437 HydrophobicContact CZ-CD2 4.31Å; F180-Y437 HydrophobicContact CZ-CE2 4.21Å
181R88.7Confident80.7Confident50 Ų5044.4 Ų44.419%0.18923%0.233CC..EExtended strand (participates in β ladder)trans-135.7142.8178.4-66.9-173.9-81.6-173.9-7110.8A187 Y188 D190R181-A187 WeakPolarHBondContact O-CA 3.33Å; R181-Y188 HydrophobicContact CB-CD1 4.49Å; R181-Y188 HydrophobicContact CB-CE1 3.91Å; R181-Y188 HydrophobicContact CB-CE2 3.97Å; R181-Y188 WeakPolarHBondContact CD-OH 3.4Å; R181-Y188 HydrophobicContact CG-CE2 4.46Å; R181-Y188 PolarHBondContact N-O 2.67Å; R181-Y188 PolarHBondContact NE-OH 2.71Å; R181-Y188 PolarHBondContact O-N 3.01Å; R181-D190 IonicContact CZ-OD2 2.74Å; R181-D190 IonicContact NH2-OD2 2.66Å; R181-D190 PolarHBondContact NH2-OD2 2.84Å
182A83Confident82Confident38 Ų3842.8 Ų42.831%0.31423%0.226SC..EExtended strand (participates in β ladder)trans-92.4113.5169.400000109.2L114L114-A182 HydrophobicContact CD1-CB 4.47Å
183G71.6Confident83.2Confident36 Ų3641 Ų4137%0.37122%0.215SC..  trans-93.7179.7171.600000112.6G186G183-G186 CarbonylContact C-O 3.58Å; G183-G186 VanDerWaalsContact CA-O 3.3Å; G183-G186 WeakPolarHBondContact CA-O 3.26Å; G183-G186 PolarHBondContact N-O 3.13Å
184E68.4Low83.9Confident213 Ų21337 Ų37100%0.99520%0.202SC*.SBendtrans-67.8-34.1178.4-63.8-179.6174.100113
185S66Low84.2Confident100 Ų10041 Ų4170%0.69923%0.226SC*.SBendtrans-100.5-1.5-175.265.10000114.7
186G74.2Confident84.1Confident12 Ų1239.7 Ų39.712%0.12422%0.222CC..EExtended strand (participates in β ladder)trans155.5-172.5-172.900000112.2G183G183-G186 CarbonylContact C-O 3.58Å; G183-G186 VanDerWaalsContact CA-O 3.3Å; G183-G186 WeakPolarHBondContact CA-O 3.26Å; G183-G186 PolarHBondContact N-O 3.13Å
187A81.9Confident84.2Confident6 Ų647 Ų475%0.0525%0.249CC..EExtended strand (participates in β ladder)trans-95.1161.6170.500000109.7V110 L114 R181 V204V110-A187 HydrophobicContact CG1-CB 3.83Å; L114-A187 HydrophobicContact CD1-CB 3.77Å; R181-A187 WeakPolarHBondContact O-CA 3.33Å; A187-V204 HydrophobicContact CB-CB 4.04Å; A187-V204 HydrophobicContact CB-CG1 4.36Å; A187-V204 PolarHBondContact N-O 3.24Å; A187-V204 CarbonylContact O-C 3.57Å; A187-V204 VanDerWaalsContact O-C 3.26Å; A187-V204 WeakPolarHBondContact O-CA 3.49Å; A187-V204 WeakPolarHBondContact O-CB 3.35Å; A187-V204 PolarHBondContact O-N 3.48Å
188Y82.2Confident84Confident57 Ų5747.7 Ų47.722%0.22425%0.253CS..EExtended strand (participates in β ladder)trans-145.1150.2166.457.8-83000109.7R181 H202R181-Y188 HydrophobicContact CB-CD1 4.49Å; R181-Y188 HydrophobicContact CB-CE1 3.91Å; R181-Y188 HydrophobicContact CB-CE2 3.97Å; R181-Y188 WeakPolarHBondContact CD-OH 3.4Å; R181-Y188 HydrophobicContact CG-CE2 4.46Å; R181-Y188 PolarHBondContact N-O 2.67Å; R181-Y188 PolarHBondContact NE-OH 2.71Å; R181-Y188 PolarHBondContact O-N 3.01Å; Y188-H202 WeakPolarHBondContact CA-O 3.34Å
189M86.1Confident83.9Confident0 Ų047.5 Ų47.50%025%0.254CS..EExtended strand (participates in β ladder)trans-117.2125.9176.2-174.8-164.275.300108.4Y178 M179 F180 H202 Y437Y178-M189 HydrophobicContact CD1-CE 4.44Å; Y178-M189 HydrophobicContact CD1-SD 4.17Å; M179-M189 CarbonylContact O-C 3.58Å; M179-M189 WeakPolarHBondContact O-CA 3.5Å; F180-M189 HydrophobicContact CD1-CB 3.97Å; F180-M189 HydrophobicContact CD1-CG 3.82Å; F180-M189 HydrophobicContact CD1-SD 4.42Å; F180-M189 HydrophobicContact CE1-CB 3.96Å; F180-M189 HydrophobicContact CE1-CG 3.52Å; F180-M189 HydrophobicContact CE1-SD 3.53Å; F180-M189 VanDerWaalsContact CE1-SD 3.53Å; F180-M189 HydrophobicContact CE2-CG 4.33Å; F180-M189 HydrophobicContact CE2-SD 4.43Å; F180-M189 HydrophobicContact CG-CG 4.35Å; F180-M189 HydrophobicContact CZ-CG 3.8Å; F180-M189 HydrophobicContact CZ-SD 3.53Å; F180-M189 VanDerWaalsContact CZ-SD 3.53Å; M189-H202 HydrophobicContact CE-CB 4.34Å; M189-H202 WeakPolarHBondContact CE-CD2 3.22Å; M189-H202 PolarHBondContact N-O 3Å; M189-H202 PolarHBondContact O-N 3.13Å; M189-Y437 HydrophobicContact CE-CD1 3.8Å; M189-Y437 HydrophobicContact CE-CE1 3.38Å; M189-Y437 HydrophobicContact CE-CE2 4.24Å; M189-Y437 HydrophobicContact CE-CG 4.38Å; M189-Y437 HydrophobicContact SD-CD1 4.07Å; M189-Y437 HydrophobicContact SD-CD2 3.78Å; M189-Y437 HydrophobicContact SD-CE1 3.73Å; M189-Y437 HydrophobicContact SD-CE2 3.41Å; M189-Y437 WeakPolarHBondContact SD-CE2 3.41Å; M189-Y437 HydrophobicContact SD-CG 4.1Å
190D88.4Confident83.5Confident0 Ų050.8 Ų50.80%027%0.266CS..EExtended strand (participates in β ladder)trans-101.6122.2169.4-68.4-22.4000109Y178 M179 R181 V192 I199 Y200 R201Y178-D190 WeakPolarHBondContact CA-O 3.45Å; M179-D190 HydrophobicContact CB-CB 4.31Å; M179-D190 PolarHBondContact N-O 2.96Å; M179-D190 PolarHBondContact O-N 3.44Å; R181-D190 IonicContact CZ-OD2 2.74Å; R181-D190 IonicContact NH2-OD2 2.66Å; R181-D190 PolarHBondContact NH2-OD2 2.84Å; D190-V192 HydrophobicContact CB-CG2 4.09Å; D190-I199 HydrophobicContact CB-CG2 3.89Å; D190-Y200 WeakPolarHBondContact CA-O 3.04Å; D190-R201 WeakPolarHBondContact OD1-CB 3.37Å; D190-R201 VanDerWaalsContact OD1-CG 3.28Å; D190-R201 WeakPolarHBondContact OD1-CG 3.03Å; D190-R201 IonicContact OD1-CZ 3.6Å; D190-R201 IonicContact OD1-NE 3.58Å; D190-R201 PolarHBondContact OD1-NE 2.93Å; D190-R201 IonicContact OD1-NH2 2.78Å; D190-R201 PolarHBondContact OD1-NH2 3.47Å; D190-R201 IonicContact OD2-CZ 2.97Å; D190-R201 IonicContact OD2-NE 3.38Å; D190-R201 IonicContact OD2-NH2 3.47Å; D190-R201 PolarHBondContact OD2-NH2 2.91Å
191E87.5Confident83.2Confident50 Ų5053.7 Ų53.723%0.23428%0.277CS..EExtended strand (participates in β ladder)trans-90.2112.4161.7178.8-175.1157.800107.9L176 Y178 I199 Y200L176-E191 HydrophobicContact CD1-CG 3.57Å; L176-E191 HydrophobicContact CD2-CG 4.21Å; L176-E191 HydrophobicContact CG-CG 4.07Å; Y178-E191 HydrophobicContact CD1-CB 4.37Å; Y178-E191 HydrophobicContact CD1-CG 4.42Å; Y178-E191 HydrophobicContact CE1-CB 4.33Å; Y178-E191 HydrophobicContact CE1-CG 4.03Å; E191-I199 CarbonylContact O-C 3.55Å; E191-I199 WeakPolarHBondContact O-CA 3.28Å; E191-Y200 PolarHBondContact N-O 2.89Å; E191-Y200 PolarHBondContact O-N 3.44Å
192V89.4Confident82.6Confident0 Ų051.8 Ų51.80%027%0.271CS..EExtended strand (participates in β ladder)trans-107.3106.7-174.8-177.20000108.7L176 S177 M179 D190 H194 I199 V555 Y559L176-V192 WeakPolarHBondContact CA-O 3.22Å; S177-V192 PolarHBondContact N-O 3.33Å; S177-V192 PolarHBondContact O-N 3.37Å; M179-V192 HydrophobicContact SD-CG2 3.87Å; D190-V192 HydrophobicContact CB-CG2 4.09Å; V192-H194 PolarHBondContact O-N 3.12Å; V192-I199 HydrophobicContact CG1-CG1 4.25Å; V192-I199 HydrophobicContact CG2-CG1 4.25Å; V192-I199 HydrophobicContact CG2-CG2 4.37Å; V192-V555 HydrophobicContact CG1-CG1 3.47Å; V192-V555 VanDerWaalsContact CG1-CG1 3.47Å; V192-V555 HydrophobicContact CG1-CG2 4.2Å; V192-V555 HydrophobicContact CG2-CG1 4.42Å; V192-V555 HydrophobicContact CG2-CG2 3.72Å; V192-Y559 HydrophobicContact CG1-CD1 4.1Å; V192-Y559 HydrophobicContact CG1-CE1 3.74Å
193N88.2Confident82.2Confident24 Ų2452.6 Ų52.613%0.12827%0.27CS..EExtended strand (participates in β ladder)trans-89.1103.2172.4-177.5-17.2000108.7L176 T195 D196 R197 T198L176-N193 HydrophobicContact CD1-CB 3.97Å; N193-T195 VanDerWaalsContact C-N 3.26Å; N193-T195 PolarHBondContact O-N 3.18Å; N193-T195 WeakPolarHBondContact OD1-CA 3.46Å; N193-T195 VanDerWaalsContact OD1-CB 3.24Å; N193-T195 WeakPolarHBondContact OD1-CB 3.26Å; N193-T195 PolarHBondContact OD1-N 3.18Å; N193-D196 WeakPolarHBondContact CB-OD1 3.21Å; N193-D196 VanDerWaalsContact ND2-CG 3.3Å; N193-D196 PolarHBondContact ND2-OD1 2.81Å; N193-D196 PolarHBondContact ND2-OD2 3Å; N193-D196 VanDerWaalsContact O-OD1 3.14Å; N193-D196 PolarHBondContact OD1-N 2.85Å; N193-D196 PolarHBondContact OD1-OD1 3.33Å; N193-R197 VanDerWaalsContact O-CA 3.23Å; N193-R197 WeakPolarHBondContact O-CA 3.08Å; N193-R197 PolarHBondContact O-N 2.92Å; N193-T198 PolarHBondContact N-O 3.44Å; N193-T198 PolarHBondContact O-N 2.78Å; N193-T198 VanDerWaalsContact O-N 3.15Å
194H89Confident82Confident48 Ų4851.4 Ų51.422%0.22226%0.255CS..THydrogen-bonded Turntrans-72.7-21.1179.9-63.1-82.9000112.7H175 S177 V192 Y559H175-H194 HydrophobicContact CB-CB 3.84Å; H175-H194 WeakPolarHBondContact O-CB 3.46Å; H175-H194 PolarHBondContact O-CD2 3.34Å; H175-H194 PolarHBondContact O-N 3.34Å; S177-H194 WeakPolarHBondContact CB-NE2 3.25Å; S177-H194 PolarHBondContact OG-NE2 3.37Å; V192-H194 PolarHBondContact O-N 3.12Å; H194-Y559 AromaticContact ND1-CE1 3.92Å; H194-Y559 AromaticContact ND1-CZ 3.6Å; H194-Y559 PolarHBondContact ND1-OH 3.37Å
195T84.3Confident81.8Confident92 Ų9245 Ų4556%0.56423%0.227SC*.THydrogen-bonded Turntrans-70.1-47.6-179.8-50.90000111.4H175 N193H175-T195 PolarHBondContact N-OG1 2.82Å; N193-T195 VanDerWaalsContact C-N 3.26Å; N193-T195 PolarHBondContact O-N 3.18Å; N193-T195 WeakPolarHBondContact OD1-CA 3.46Å; N193-T195 VanDerWaalsContact OD1-CB 3.24Å; N193-T195 WeakPolarHBondContact OD1-CB 3.26Å; N193-T195 PolarHBondContact OD1-N 3.18Å
196D84.8Confident81.1Confident79 Ų7943.8 Ų43.842%0.42221%0.213SC..THydrogen-bonded Turntrans-98-4.2178.766.510.6000113.6N193 T198N193-D196 WeakPolarHBondContact CB-OD1 3.21Å; N193-D196 VanDerWaalsContact ND2-CG 3.3Å; N193-D196 PolarHBondContact ND2-OD1 2.81Å; N193-D196 PolarHBondContact ND2-OD2 3Å; N193-D196 VanDerWaalsContact O-OD1 3.14Å; N193-D196 PolarHBondContact OD1-N 2.85Å; N193-D196 PolarHBondContact OD1-OD1 3.33Å; D196-T198 HydrophobicContact CB-CG2 4.44Å; D196-T198 VanDerWaalsContact CG-OG1 3.22Å; D196-T198 WeakPolarHBondContact OD1-CB 3.38Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.46Å; D196-T198 PolarHBondContact OD1-N 3.31Å; D196-T198 PolarHBondContact OD1-OG1 2.79Å; D196-T198 PolarHBondContact OD2-OG1 2.78Å
197R88.8Confident79.9Confident160 Ų16046 Ų4660%0.60422%0.222SC*.THydrogen-bonded Turntrans58.743.5-176.4-55.2-178.2179.9-177.3-0.7112.8N193 Y559 H560N193-R197 VanDerWaalsContact O-CA 3.23Å; N193-R197 WeakPolarHBondContact O-CA 3.08Å; N193-R197 PolarHBondContact O-N 2.92Å; R197-Y559 VanDerWaalsContact C-CD1 3.43Å; R197-Y559 HydrophobicContact CB-CD1 4.03Å; R197-Y559 HydrophobicContact CB-CE1 4.1Å; R197-Y559 HydrophobicContact CB-CG 4.36Å; R197-Y559 HydrophobicContact CG-CE1 4.43Å; R197-Y559 CarbonylContact O-C 3.58Å; R197-Y559 WeakPolarHBondContact O-CA 3.35Å; R197-H560 PolarHBondContact O-N 2.71Å
198T87.7Confident77.9Confident16 Ų1652.4 Ų52.410%0.09826%0.255CS..EExtended strand (participates in β ladder)trans-108.9151.7172.863.70000111.4N193 D196 Y200 H560 I562N193-T198 PolarHBondContact N-O 3.44Å; N193-T198 PolarHBondContact O-N 2.78Å; N193-T198 VanDerWaalsContact O-N 3.15Å; D196-T198 HydrophobicContact CB-CG2 4.44Å; D196-T198 VanDerWaalsContact CG-OG1 3.22Å; D196-T198 WeakPolarHBondContact OD1-CB 3.38Å; D196-T198 WeakPolarHBondContact OD1-CG2 3.46Å; D196-T198 PolarHBondContact OD1-N 3.31Å; D196-T198 PolarHBondContact OD1-OG1 2.79Å; D196-T198 PolarHBondContact OD2-OG1 2.78Å; T198-Y200 WeakPolarHBondContact OG1-CE2 3.18Å; T198-H560 CarbonylContact C-O 3.49Å; T198-H560 WeakPolarHBondContact CA-O 3.24Å; T198-H560 HydrophobicContact CG2-CB 4.48Å; T198-I562 HydrophobicContact CG2-CD1 4.48Å
199I88.9Confident75.5Confident17 Ų1758.3 Ų58.39%0.08728%0.277CS..EExtended strand (participates in β ladder)trans-124.7116171.8-59.7167.7000107.2D190 E191 V192 V555 Y559 H560 L561 I562D190-I199 HydrophobicContact CB-CG2 3.89Å; E191-I199 CarbonylContact O-C 3.55Å; E191-I199 WeakPolarHBondContact O-CA 3.28Å; V192-I199 HydrophobicContact CG1-CG1 4.25Å; V192-I199 HydrophobicContact CG2-CG1 4.25Å; V192-I199 HydrophobicContact CG2-CG2 4.37Å; I199-V555 HydrophobicContact CD1-CB 4.25Å; I199-V555 HydrophobicContact CD1-CG1 3.84Å; I199-V555 HydrophobicContact CD1-CG2 4.47Å; I199-V555 HydrophobicContact CG1-CG1 4.28Å; I199-Y559 HydrophobicContact CD1-CD1 4.29Å; I199-Y559 HydrophobicContact CD1-CG 4.05Å; I199-Y559 HydrophobicContact CG1-CD1 3.89Å; I199-Y559 HydrophobicContact CG1-CG 4.14Å; I199-H560 PolarHBondContact N-O 3.26Å; I199-L561 HydrophobicContact CB-CD1 3.92Å; I199-L561 HydrophobicContact CG2-CD1 3.72Å; I199-I562 PolarHBondContact O-N 3.48Å
200Y83.1Confident73.2Confident68 Ų6864.2 Ų64.227%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-91.2112.1167.4-63.8-90.9000108.2D190 E191 T198 I562D190-Y200 WeakPolarHBondContact CA-O 3.04Å; E191-Y200 PolarHBondContact N-O 2.89Å; E191-Y200 PolarHBondContact O-N 3.44Å; T198-Y200 WeakPolarHBondContact OG1-CE2 3.18Å; Y200-I562 WeakPolarHBondContact CA-O 3.48Å; Y200-I562 HydrophobicContact CD1-CB 3.97Å; Y200-I562 HydrophobicContact CD1-CD1 4.21Å; Y200-I562 HydrophobicContact CD1-CG2 3.93Å; Y200-I562 HydrophobicContact CE1-CB 4.11Å; Y200-I562 HydrophobicContact CE1-CD1 3.53Å; Y200-I562 HydrophobicContact CE1-CG1 4.42Å; Y200-I562 HydrophobicContact CE1-CG2 3.98Å; Y200-I562 HydrophobicContact CE2-CD1 4.42Å
201R84.2Confident70.3Confident62 Ų6269 Ų6923%0.23434%0.341CS..EExtended strand (participates in β ladder)trans-97.6117.7178.3176.1164.3-66.6160.16.5110.2D190 L561 I562 E564D190-R201 WeakPolarHBondContact OD1-CB 3.37Å; D190-R201 VanDerWaalsContact OD1-CG 3.28Å; D190-R201 WeakPolarHBondContact OD1-CG 3.03Å; D190-R201 IonicContact OD1-CZ 3.6Å; D190-R201 IonicContact OD1-NE 3.58Å; D190-R201 PolarHBondContact OD1-NE 2.93Å; D190-R201 IonicContact OD1-NH2 2.78Å; D190-R201 PolarHBondContact OD1-NH2 3.47Å; D190-R201 IonicContact OD2-CZ 2.97Å; D190-R201 IonicContact OD2-NE 3.38Å; D190-R201 IonicContact OD2-NH2 3.47Å; D190-R201 PolarHBondContact OD2-NH2 2.91Å; R201-L561 HydrophobicContact CB-CD1 3.86Å; R201-I562 PolarHBondContact N-O 2.81Å; R201-E564 PolarHBondContact O-N 3.33Å
202H77.1Confident67.5Low10 Ų1069.9 Ų69.95%0.04636%0.363CS..EExtended strand (participates in β ladder)trans-98.3111.2171.1-56.3-79.6000109.3Y188 M189 V204 G568Y188-H202 WeakPolarHBondContact CA-O 3.34Å; M189-H202 HydrophobicContact CE-CB 4.34Å; M189-H202 WeakPolarHBondContact CE-CD2 3.22Å; M189-H202 PolarHBondContact N-O 3Å; M189-H202 PolarHBondContact O-N 3.13Å; H202-V204 PolarHBondContact O-N 3.29Å; H202-G568 VanDerWaalsContact CE1-CA 3.5Å; H202-G568 WeakPolarHBondContact CE1-CA 3.42Å; H202-G568 PolarHBondContact ND1-N 2.94Å
203N74.5Confident64.8Low55 Ų5576.5 Ų76.529%0.29440%0.404SS..EExtended strand (participates in β ladder)trans-77.6113.8175.6-67.1-56.8000109.7N205N203-N205 PolarHBondContact O-N 3.05Å; N203-N205 VanDerWaalsContact O-N 3.1Å
204V67.9Low61.9Low10 Ų1082 Ų826%0.06143%0.433CS..EExtended strand (participates in β ladder)trans-90.367.1173.7-170.40000107.8A107 V110 A187 H202 L206A107-V204 HydrophobicContact CB-CG1 3.47Å; A107-V204 VanDerWaalsContact CB-CG1 3.47Å; V110-V204 HydrophobicContact CB-CG1 4.15Å; V110-V204 HydrophobicContact CG1-CG1 4.4Å; A187-V204 HydrophobicContact CB-CB 4.04Å; A187-V204 HydrophobicContact CB-CG1 4.36Å; A187-V204 PolarHBondContact N-O 3.24Å; A187-V204 CarbonylContact O-C 3.57Å; A187-V204 VanDerWaalsContact O-C 3.26Å; A187-V204 WeakPolarHBondContact O-CA 3.49Å; A187-V204 WeakPolarHBondContact O-CB 3.35Å; A187-V204 PolarHBondContact O-N 3.48Å; H202-V204 PolarHBondContact O-N 3.29Å; V204-L206 PolarHBondContact O-N 3.38Å
205N63Low58.9Low78 Ų7887.9 Ų87.942%0.41747%0.466SS..EExtended strand (participates in β ladder)trans-67.5124.8178.6-73.9-24.4000109.1N203 L207N203-N205 PolarHBondContact O-N 3.05Å; N203-N205 VanDerWaalsContact O-N 3.1Å; N205-L207 HydrophobicContact CB-CD1 4.12Å; N205-L207 PolarHBondContact O-N 3.13Å
206L52.3Low56Low76 Ų7688.5 Ų88.540%0.39847%0.47SS..  trans-65.791.3164.1-65.5174.7000106.9A111 V204 N208A111-L206 HydrophobicContact CB-CD2 4Å; V204-L206 PolarHBondContact O-N 3.38Å; L206-N208 PolarHBondContact O-N 3Å
207L49.3Very low53.5Low59 Ų5991.5 Ų91.531%0.30949%0.494SS..  trans-6290.8168.7-99.475.6000108R104 N205 A230R104-L207 PolarHBondContact NH1-O 3.2Å; N205-L207 HydrophobicContact CB-CD1 4.12Å; N205-L207 PolarHBondContact O-N 3.13Å; L207-A230 HydrophobicContact CD2-CB 4.28Å
208N39.4Very low50.7Low140 Ų14087.5 Ų87.575%0.74950%0.502SS*.  trans42.696.5175.5-64.8-19.4000114.9L206L206-N208 PolarHBondContact O-N 3Å
209R32.2Very low47.8Very low180 Ų18091.5 Ų91.568%0.67954%0.537SS*.  trans-48.2125.2148.8172.6173.1154.2-170.2-12107.6D211R209-D211 HydrophobicContact CG-CB 3.97Å; R209-D211 WeakPolarHBondContact CG-OD1 3.44Å; R209-D211 IonicContact CZ-OD2 2.69Å; R209-D211 IonicContact NE-OD1 3.88Å; R209-D211 PolarHBondContact NE-OD1 3.48Å; R209-D211 VanDerWaalsContact NE-OD1 3.1Å; R209-D211 IonicContact NE-OD2 3.47Å; R209-D211 PolarHBondContact NE-OD2 3.19Å; R209-D211 IonicContact NH2-OD2 2.67Å; R209-D211 PolarHBondContact NH2-OD2 3.49Å; R209-D211 PolarHBondContact O-N 3.06Å
210P37.4Very low45.1Very low124 Ų12493.2 Ų93.281%0.80556%0.559SS**  trans-74.863.3176.631.7-33000109.8
211D28.3Very low43Very low100 Ų10094.5 Ų94.554%0.53558%0.578SS.*  trans-10671.2169.9-83.846.7000108.4R209R209-D211 HydrophobicContact CG-CB 3.97Å; R209-D211 WeakPolarHBondContact CG-OD1 3.44Å; R209-D211 IonicContact CZ-OD2 2.69Å; R209-D211 IonicContact NE-OD1 3.88Å; R209-D211 PolarHBondContact NE-OD1 3.48Å; R209-D211 VanDerWaalsContact NE-OD1 3.1Å; R209-D211 IonicContact NE-OD2 3.47Å; R209-D211 PolarHBondContact NE-OD2 3.19Å; R209-D211 IonicContact NH2-OD2 2.67Å; R209-D211 PolarHBondContact NH2-OD2 3.49Å; R209-D211 PolarHBondContact O-N 3.06Å
212G27.1Very low40.6Very low69 Ų6993.4 Ų93.471%0.71159%0.586SS**  trans-118.196.6156.500000106.3D214G212-D214 VanDerWaalsContact C-N 3.27Å; G212-D214 PolarHBondContact O-N 2.95Å
213V33.9Very low38.9Very low139 Ų13996.9 Ų96.984%0.84262%0.616SS**  trans-66.286.8176.2-162.70000107.7
214D26.2Very low37.3Very low139 Ų13996.6 Ų96.674%0.74363%0.626SS**  trans-153.493.6157.2-90.8-31000107.6G212 T216G212-D214 VanDerWaalsContact C-N 3.27Å; G212-D214 PolarHBondContact O-N 2.95Å; D214-T216 PolarHBondContact O-N 2.93Å
215N26.4Very low36.2Very low173 Ų17398.4 Ų98.493%0.92564%0.642SS**  trans-65.970.2167.9-85.6-23.2000109.5
216T24.6Very low35.5Very low105 Ų10597.5 Ų97.564%0.64465%0.645SS**  trans-115.3104159.944.50000107.5D214 G218D214-T216 PolarHBondContact O-N 2.93Å; T216-G218 VanDerWaalsContact C-N 3.26Å; T216-G218 PolarHBondContact O-N 3.32Å
217P31.6Very low35.2Very low141 Ų14194.9 Ų94.992%0.91664%0.635SS**THydrogen-bonded Turntrans-71.685.6177.728.5-30.3000108.4
218G29.5Very low35.2Very low76 Ų7693.3 Ų93.378%0.78463%0.628SS**THydrogen-bonded Turntrans-169.4-7-173.800000118.4T216T216-G218 VanDerWaalsContact C-N 3.26Å; T216-G218 PolarHBondContact O-N 3.32Å
219A26.5Very low35.7Very low100 Ų10088.9 Ų88.983%0.82661%0.611SS**  trans-146.3122.8177.800000110.7
220G32.3Very low36.6Very low53 Ų5382 Ų8255%0.54659%0.592SS.*  cis-160168-3.900000107.9G222G220-G222 PolarHBondContact O-N 2.8Å
221S40.3Very low37.4Very low96 Ų9676.2 Ų76.267%0.67156%0.555SS**THydrogen-bonded Turntrans-64.52.1179.768.80000114.9
222G33.6Very low38.5Very low39 Ų3974.4 Ų74.440%0.40254%0.544SS..Hα-helixtrans-87.6-23.8-174.400000116G220 G224 A226G220-G222 PolarHBondContact O-N 2.8Å; G222-G224 PolarHBondContact O-N 2.74Å; G222-A226 WeakPolarHBondContact O-CA 3.47Å; G222-A226 WeakPolarHBondContact O-CB 3.4Å; G222-A226 PolarHBondContact O-N 3.22Å
223A39.8Very low39.7Very low82 Ų8278.4 Ų78.468%0.67855%0.548SS*.Hα-helixtrans-67.7-42.1-171.300000113.3A227A223-A227 WeakPolarHBondContact O-CB 3.48Å; A223-A227 PolarHBondContact O-N 2.88Å; A223-A227 VanDerWaalsContact O-N 3.16Å
224G42.3Very low40.7Very low49 Ų4975.7 Ų75.751%0.50553%0.525SS..Hα-helixtrans-69.7-58.5175.100000111.3G222 A226 A227 T228G222-G224 PolarHBondContact O-N 2.74Å; G224-A226 PolarHBondContact O-N 3.15Å; G224-A227 CarbonylContact O-C 3.45Å; G224-A227 WeakPolarHBondContact O-CB 3.23Å; G224-A227 PolarHBondContact O-N 3.4Å; G224-A227 VanDerWaalsContact O-N 3.1Å; G224-T228 PolarHBondContact O-N 2.78Å; G224-T228 PolarHBondContact O-OG1 3.07Å
225A44.4Very low42.5Very low49 Ų4970 Ų7041%0.40550%0.495SS..Hα-helixtrans-61.4-38.5-17800000113.8T228 A229A225-T228 PolarHBondContact O-N 3.45Å; A225-A229 VanDerWaalsContact O-CB 3.23Å; A225-A229 WeakPolarHBondContact O-CB 3.33Å; A225-A229 PolarHBondContact O-N 2.69Å
226A47.6Very low44.4Very low58 Ų5871.7 Ų71.748%0.47949%0.488SS..Hα-helixtrans-71.5-33.7174.600000112G222 G224 A230G222-A226 WeakPolarHBondContact O-CA 3.47Å; G222-A226 WeakPolarHBondContact O-CB 3.4Å; G222-A226 PolarHBondContact O-N 3.22Å; G224-A226 PolarHBondContact O-N 3.15Å; A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.2Å
227A47.4Very low46.7Very low22 Ų2272.3 Ų72.318%0.18248%0.484CS..Hα-helixtrans-67.8-40171.600000111.6A223 G224 A230 A231A223-A227 WeakPolarHBondContact O-CB 3.48Å; A223-A227 PolarHBondContact O-N 2.88Å; A223-A227 VanDerWaalsContact O-N 3.16Å; G224-A227 CarbonylContact O-C 3.45Å; G224-A227 WeakPolarHBondContact O-CB 3.23Å; G224-A227 PolarHBondContact O-N 3.4Å; G224-A227 VanDerWaalsContact O-N 3.1Å; A227-A230 PolarHBondContact O-N 2.76Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.25Å; A227-A231 PolarHBondContact O-N 2.79Å
228T48.3Very low48.8Very low25 Ų2566.5 Ų66.515%0.15345%0.446CS..Hα-helixtrans-65.3-43.5173.7-34.70000111.1G224 A225 A231 Q232G224-T228 PolarHBondContact O-N 2.78Å; G224-T228 PolarHBondContact O-OG1 3.07Å; A225-T228 PolarHBondContact O-N 3.45Å; T228-A231 PolarHBondContact O-N 2.84Å; T228-Q232 WeakPolarHBondContact O-CB 3.29Å; T228-Q232 WeakPolarHBondContact O-CG 3.3Å; T228-Q232 PolarHBondContact O-N 2.65Å
229A50.4Low51.1Low48 Ų4864.3 Ų64.340%0.39742%0.419SS..Hα-helixtrans-66.4-38.9176.200000112.2A225 Q232 L233A225-A229 VanDerWaalsContact O-CB 3.23Å; A225-A229 WeakPolarHBondContact O-CB 3.33Å; A225-A229 PolarHBondContact O-N 2.69Å; A229-Q232 PolarHBondContact O-N 2.69Å; A229-L233 PolarHBondContact O-N 3.46Å
230A50.6Low53.8Low34 Ų3467.9 Ų67.928%0.28142%0.419SS..Hα-helixtrans-65.8-40.7173.200000111.4L207 A226 A227 L233 F234L207-A230 HydrophobicContact CD2-CB 4.28Å; A226-A230 WeakPolarHBondContact O-CB 3.45Å; A226-A230 PolarHBondContact O-N 3.2Å; A227-A230 PolarHBondContact O-N 2.76Å; A230-L233 WeakPolarHBondContact O-CB 3.43Å; A230-L233 PolarHBondContact O-N 2.78Å; A230-F234 WeakPolarHBondContact O-CD2 3.43Å; A230-F234 WeakPolarHBondContact O-CE2 3.3Å
231A53.8Low56.1Low4 Ų468.9 Ų68.93%0.03342%0.417CS..Hα-helixtrans-65.2-40.1173.500000111.8A100 A227 T228 L233 F234 V235A100-A231 HydrophobicContact CB-CB 3.97Å; A227-A231 VanDerWaalsContact O-CB 3.29Å; A227-A231 WeakPolarHBondContact O-CB 3.25Å; A227-A231 PolarHBondContact O-N 2.79Å; T228-A231 PolarHBondContact O-N 2.84Å; A231-L233 VanDerWaalsContact C-N 3.28Å; A231-L233 PolarHBondContact O-N 3.33Å; A231-F234 PolarHBondContact O-N 3.46Å; A231-V235 PolarHBondContact O-N 3.11Å
232Q52.8Low58Low62 Ų6266.9 Ų66.929%0.2940%0.401SS..Hα-helixtrans-60.9-33174.2-80.4177.5-13.500112.8V96 H97 A100 T228 A229 F234 V235V96-Q232 HydrophobicContact CG1-CG 3.99Å; H97-Q232 PolarHBondContact CE1-NE2 2.73Å; H97-Q232 PolarHBondContact NE2-NE2 2.8Å; H97-Q232 VanDerWaalsContact NE2-NE2 3.11Å; A100-Q232 HydrophobicContact CB-CG 4.07Å; T228-Q232 WeakPolarHBondContact O-CB 3.29Å; T228-Q232 WeakPolarHBondContact O-CG 3.3Å; T228-Q232 PolarHBondContact O-N 2.65Å; A229-Q232 PolarHBondContact O-N 2.69Å; Q232-F234 PolarHBondContact O-N 2.72Å; Q232-V235 PolarHBondContact O-N 3.47Å; Q232-V235 VanDerWaalsContact O-N 3.13Å
233L51.8Low60.4Low153 Ų15365.5 Ų65.580%0.80139%0.385SS*.Hα-helixtrans-62.1-24.5174.1-80.5166.7000113.3A229 A230 A231A229-L233 PolarHBondContact O-N 3.46Å; A230-L233 WeakPolarHBondContact O-CB 3.43Å; A230-L233 PolarHBondContact O-N 2.78Å; A231-L233 VanDerWaalsContact C-N 3.28Å; A231-L233 PolarHBondContact O-N 3.33Å
234F54.8Low62.6Low81 Ų8163.9 Ų63.936%0.35537%0.371SS..Hα-helixtrans-91.1-13.2176.9-62.9-69.8000113.3A230 A231 Q232 N565A230-F234 WeakPolarHBondContact O-CD2 3.43Å; A230-F234 WeakPolarHBondContact O-CE2 3.3Å; A231-F234 PolarHBondContact O-N 3.46Å; Q232-F234 PolarHBondContact O-N 2.72Å; F234-N565 HydrophobicContact CD1-CB 4.2Å; F234-N565 VanDerWaalsContact CD1-O 3.22Å; F234-N565 WeakPolarHBondContact CD1-O 3.45Å; F234-N565 HydrophobicContact CE1-CB 4.2Å
235V64.2Low64.4Low20 Ų2066.5 Ų66.512%0.12137%0.373CS..SBendtrans-94.4123.1-179174.90000109.2D99 A100 A231 Q232 E237D99-V235 HydrophobicContact CB-CG1 3.61Å; D99-V235 HydrophobicContact CB-CG2 4.22Å; A100-V235 HydrophobicContact CB-CG2 4.04Å; A231-V235 PolarHBondContact O-N 3.11Å; Q232-V235 PolarHBondContact O-N 3.47Å; Q232-V235 VanDerWaalsContact O-N 3.13Å; V235-E237 PolarHBondContact O-N 2.95Å
236R66.3Low66.3Low209 Ų20966.2 Ų66.279%0.78936%0.363SS*.PPolyproline II helixtrans-67.7123.4170.3179.3-178.1157.7117.6-1.6108.7
237E72.6Confident68.2Low117 Ų11764.8 Ų64.855%0.54735%0.347SS..PPolyproline II helixtrans-56.7135.9172-70.9-167.4178.100110.6K92 V96 V235 S239K92-E237 WeakPolarHBondContact CE-OE2 3.43Å; K92-E237 IonicContact NZ-OE2 3.39Å; K92-E237 PolarHBondContact NZ-OE2 3.39Å; V96-E237 HydrophobicContact CG2-CG 4.31Å; V235-E237 PolarHBondContact O-N 2.95Å; E237-S239 PolarHBondContact O-N 2.8Å
238P76.1Confident70.1Confident19 Ų1966 Ų6612%0.12335%0.352CS..PPolyproline II helixtrans-62134.1176.925.4-32.4000109.6K92 L95 V96 I243K92-P238 HydrophobicContact CG-CG 4.18Å; L95-P238 HydrophobicContact CB-CG 4.17Å; L95-P238 HydrophobicContact CD1-CB 4.39Å; L95-P238 HydrophobicContact CD1-CG 4.29Å; V96-P238 HydrophobicContact CG2-CG 4.3Å; P238-I243 HydrophobicContact CB-CD1 4.44Å; P238-I243 HydrophobicContact CB-CG1 4.22Å; P238-I243 HydrophobicContact CG-CD1 4.26Å; P238-I243 HydrophobicContact CG-CG1 4.41Å
239S78.1Confident71.7Confident31 Ų3168.9 Ų68.922%0.21736%0.364CS..PPolyproline II helixtrans-68.1153.3179.674.20000111.2E237 S241 T242 I243E237-S239 PolarHBondContact O-N 2.8Å; S239-S241 PolarHBondContact O-N 3.46Å; S239-S241 PolarHBondContact OG-OG 3.42Å; S239-T242 WeakPolarHBondContact O-CA 3.34Å; S239-T242 WeakPolarHBondContact O-CB 3.37Å; S239-T242 PolarHBondContact O-N 2.8Å; S239-T242 PolarHBondContact OG-N 3.49Å; S239-T242 VanDerWaalsContact OG-N 3.08Å; S239-T242 PolarHBondContact OG-OG1 2.93Å; S239-I243 PolarHBondContact O-N 3.47Å
240E83.2Confident73.1Confident174 Ų17467.2 Ų67.281%0.81335%0.349SS*.Hα-helixtrans-55.4-38.6175-67.2179-178.400111.6T242 I243 A244E240-T242 PolarHBondContact O-N 2.72Å; E240-I243 PolarHBondContact O-N 3.45Å; E240-A244 WeakPolarHBondContact O-CB 3.01Å; E240-A244 PolarHBondContact O-N 2.84Å
241S80.6Confident74.7Confident75 Ų7566 Ų6652%0.52434%0.338SS..Hα-helixtrans-63.8-37.9173.8460000113.4S239 N245S239-S241 PolarHBondContact O-N 3.46Å; S239-S241 PolarHBondContact OG-OG 3.42Å; S241-N245 WeakPolarHBondContact O-CB 3.42Å; S241-N245 PolarHBondContact O-N 3.12Å; S241-N245 PolarHBondContact O-ND2 3.18Å; S241-N245 PolarHBondContact O-OD1 3.41Å
242T80.3Confident75.9Confident53 Ų5369 Ų6933%0.32535%0.35SS..Hα-helixtrans-65.8-42.5176.8-54.40000110.7S239 E240 N245 K246S239-T242 WeakPolarHBondContact O-CA 3.34Å; S239-T242 WeakPolarHBondContact O-CB 3.37Å; S239-T242 PolarHBondContact O-N 2.8Å; S239-T242 PolarHBondContact OG-N 3.49Å; S239-T242 VanDerWaalsContact OG-N 3.08Å; S239-T242 PolarHBondContact OG-OG1 2.93Å; E240-T242 PolarHBondContact O-N 2.72Å; T242-N245 PolarHBondContact O-N 3.04Å; T242-K246 WeakPolarHBondContact O-CG 3.43Å; T242-K246 PolarHBondContact O-N 2.73Å
243I84.1Confident77Confident11 Ų1166.8 Ų66.86%0.05634%0.341CS..Hα-helixtrans-65.4-48.3177.7-64.2162.6000109.9P88 V91 K92 P238 S239 E240 N245 K246 L247P88-I243 HydrophobicContact CB-CG2 3.94Å; V91-I243 HydrophobicContact CB-CG2 4.47Å; V91-I243 HydrophobicContact CG1-CG2 4.12Å; K92-I243 HydrophobicContact CB-CD1 3.74Å; K92-I243 HydrophobicContact CD-CD1 4.15Å; K92-I243 HydrophobicContact CG-CD1 3.97Å; P238-I243 HydrophobicContact CB-CD1 4.44Å; P238-I243 HydrophobicContact CB-CG1 4.22Å; P238-I243 HydrophobicContact CG-CD1 4.26Å; P238-I243 HydrophobicContact CG-CG1 4.41Å; S239-I243 PolarHBondContact O-N 3.47Å; E240-I243 PolarHBondContact O-N 3.45Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.11Å; I243-K246 PolarHBondContact O-N 2.78Å; I243-K246 VanDerWaalsContact O-N 3.08Å; I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.31Å; I243-L247 WeakPolarHBondContact O-CG 3.46Å; I243-L247 PolarHBondContact O-N 3.31Å
244A84.4Confident77.8Confident48 Ų4861.5 Ų61.540%0.39732%0.315SS..Hα-helixtrans-57.5-42.1177.200000112E240 L247 T248E240-A244 WeakPolarHBondContact O-CB 3.01Å; E240-A244 PolarHBondContact O-N 2.84Å; A244-L247 PolarHBondContact O-N 2.89Å; A244-T248 WeakPolarHBondContact O-CB 3.32Å; A244-T248 WeakPolarHBondContact O-CG2 3.39Å; A244-T248 PolarHBondContact O-N 2.79Å; A244-T248 PolarHBondContact O-OG1 3.1Å
245N81Confident78.4Confident103 Ų10360 Ų6055%0.55131%0.308SS*.Hα-helixtrans-62.2-44174.9-71.9-12.5000111.6S241 T242 I243 L247 T248 Q249S241-N245 WeakPolarHBondContact O-CB 3.42Å; S241-N245 PolarHBondContact O-N 3.12Å; S241-N245 PolarHBondContact O-ND2 3.18Å; S241-N245 PolarHBondContact O-OD1 3.41Å; T242-N245 PolarHBondContact O-N 3.04Å; I243-N245 VanDerWaalsContact C-N 3.3Å; I243-N245 PolarHBondContact O-N 3.11Å; N245-L247 VanDerWaalsContact C-N 3.34Å; N245-L247 PolarHBondContact O-N 3.1Å; N245-T248 PolarHBondContact O-N 3.19Å; N245-T248 PolarHBondContact O-OG1 2.79Å; N245-Q249 WeakPolarHBondContact O-CB 3.33Å; N245-Q249 WeakPolarHBondContact O-CG 3.15Å; N245-Q249 PolarHBondContact O-N 2.91Å
246K84.3Confident78.8Confident44 Ų4460 Ų6019%0.19131%0.306CS..Hα-helixtrans-67.1-34.5178.5-69.9-172.2-170.8-61.50112.6I83 T242 I243 T248 D575I83-K246 HydrophobicContact CD1-CB 4.05Å; I83-K246 HydrophobicContact CD1-CD 4.27Å; I83-K246 HydrophobicContact CG1-CB 4.38Å; I83-K246 WeakPolarHBondContact CG2-O 3.21Å; T242-K246 WeakPolarHBondContact O-CG 3.43Å; T242-K246 PolarHBondContact O-N 2.73Å; I243-K246 PolarHBondContact O-N 2.78Å; I243-K246 VanDerWaalsContact O-N 3.08Å; K246-T248 VanDerWaalsContact C-N 3.35Å; K246-D575 IonicContact NZ-OD1 3.56Å; K246-D575 PolarHBondContact NZ-OD1 3.36Å; K246-D575 VanDerWaalsContact NZ-OD1 3.16Å; K246-D575 IonicContact NZ-OD2 3.41Å; K246-D575 PolarHBondContact NZ-OD2 2.69Å
247L88.1Confident79.1Confident28 Ų2850.9 Ų50.915%0.14727%0.274CS..Hα-helixtrans-72.9-24.1177.1-71.1173.2000113.8I83 P88 V91 I243 A244 N245 H304 L305I83-L247 HydrophobicContact CG2-CD2 4.47Å; P88-L247 HydrophobicContact CB-CD1 3.85Å; V91-L247 HydrophobicContact CG2-CD2 4.1Å; I243-L247 HydrophobicContact CG2-CD1 3.8Å; I243-L247 HydrophobicContact CG2-CG 4.31Å; I243-L247 WeakPolarHBondContact O-CG 3.46Å; I243-L247 PolarHBondContact O-N 3.31Å; A244-L247 PolarHBondContact O-N 2.89Å; N245-L247 VanDerWaalsContact C-N 3.34Å; N245-L247 PolarHBondContact O-N 3.1Å; L247-H304 PolarHBondContact O-CD2 2.72Å; L247-L305 WeakPolarHBondContact O-CD2 3.28Å
248T85.8Confident79Confident46 Ų4647 Ų4728%0.28226%0.258SS..Hα-helixtrans-99.1-0.2-178.552.80000113.6A244 N245 K246 L305A244-T248 WeakPolarHBondContact O-CB 3.32Å; A244-T248 WeakPolarHBondContact O-CG2 3.39Å; A244-T248 PolarHBondContact O-N 2.79Å; A244-T248 PolarHBondContact O-OG1 3.1Å; N245-T248 PolarHBondContact O-N 3.19Å; N245-T248 PolarHBondContact O-OG1 2.79Å; K246-T248 VanDerWaalsContact C-N 3.35Å; T248-L305 VanDerWaalsContact C-CD2 3.41Å; T248-L305 WeakPolarHBondContact O-CD2 3.36Å
249Q82Confident79.1Confident87 Ų8753.3 Ų53.341%0.40729%0.291SS..SBendtrans-110.9148.5178.8-66.9-60.6-39.100112N245 H304N245-Q249 WeakPolarHBondContact O-CB 3.33Å; N245-Q249 WeakPolarHBondContact O-CG 3.15Å; N245-Q249 PolarHBondContact O-N 2.91Å; Q249-H304 PolarHBondContact O-CE1 3.3Å; Q249-H304 PolarHBondContact O-NE2 3.23Å
250P81.4Confident79.1Confident12 Ų1256.8 Ų56.88%0.07830%0.302CS..  trans-61.6150.5173.9-17.230.5000111.3F252 R300 T302 L305 L313P250-F252 HydrophobicContact CB-CD2 4.38Å; P250-F252 HydrophobicContact CB-CE2 3.68Å; P250-F252 HydrophobicContact CB-CZ 3.91Å; P250-F252 HydrophobicContact CG-CE2 4.15Å; P250-F252 HydrophobicContact CG-CZ 4.29Å; P250-R300 HydrophobicContact CB-CG 4.19Å; P250-T302 HydrophobicContact CB-CG2 4.14Å; P250-L305 HydrophobicContact CB-CD1 4.34Å; P250-L305 HydrophobicContact CG-CD1 3.95Å; P250-L313 HydrophobicContact CG-CD1 3.66Å; P250-L313 HydrophobicContact CG-CD2 4.47Å
251I83.8Confident79Confident10 Ų1050.1 Ų50.15%0.05127%0.271CS..EExtended strand (participates in β ladder)trans-92.3130.3173.6-53.6158.4000107.9W76 Q80 I83 A84 R300 R301W76-I251 HydrophobicContact CE3-CG2 4.22Å; W76-I251 HydrophobicContact CZ3-CB 4.46Å; W76-I251 HydrophobicContact CZ3-CG2 3.73Å; Q80-I251 HydrophobicContact CB-CG2 3.86Å; Q80-I251 HydrophobicContact CG-CG2 3.66Å; Q80-I251 WeakPolarHBondContact O-CD1 3.47Å; I83-I251 HydrophobicContact CB-CD1 4.06Å; I83-I251 HydrophobicContact CB-CG1 4.37Å; I83-I251 HydrophobicContact CG2-CD1 3.84Å; I83-I251 HydrophobicContact CG2-CG1 3.85Å; A84-I251 HydrophobicContact CB-CD1 3.78Å; I251-R300 WeakPolarHBondContact O-CA 3.47Å; I251-R301 HydrophobicContact CB-CB 4.26Å; I251-R301 PolarHBondContact N-O 2.76Å; I251-R301 VanDerWaalsContact N-O 3.08Å; I251-R301 PolarHBondContact O-N 3.47Å
252F77.8Confident79.1Confident67 Ų6751.7 Ų51.729%0.29427%0.27SS..EExtended strand (participates in β ladder)trans-115.7140.7175.6-64.3-85.3000111.3Q80 P250 T298 L299 R300Q80-F252 PolarHBondContact NE2-O 3.07Å; Q80-F252 VanDerWaalsContact NE2-O 3.13Å; P250-F252 HydrophobicContact CB-CD2 4.38Å; P250-F252 HydrophobicContact CB-CE2 3.68Å; P250-F252 HydrophobicContact CB-CZ 3.91Å; P250-F252 HydrophobicContact CG-CE2 4.15Å; P250-F252 HydrophobicContact CG-CZ 4.29Å; F252-T298 HydrophobicContact CD1-CG2 4.21Å; F252-L299 WeakPolarHBondContact CA-O 3.31Å; F252-R300 HydrophobicContact CD1-CB 3.85Å; F252-R300 HydrophobicContact CD1-CG 4.1Å; F252-R300 HydrophobicContact CE1-CB 3.67Å; F252-R300 HydrophobicContact CE1-CG 3.54Å; F252-R300 HydrophobicContact CZ-CG 3.99Å
253V75.9Confident79.4Confident14 Ų1452.3 Ų52.39%0.08527%0.269CS..EExtended strand (participates in β ladder)trans-128.7122.2163.9162.20000106.6F75 W76 Y255 T298 L299F75-V253 HydrophobicContact CB-CG1 4.04Å; W76-V253 HydrophobicContact CD2-CG2 4.15Å; W76-V253 HydrophobicContact CE3-CB 4.29Å; W76-V253 HydrophobicContact CE3-CG2 3.41Å; W76-V253 VanDerWaalsContact CE3-CG2 3.41Å; W76-V253 HydrophobicContact CH2-CB 4.02Å; W76-V253 HydrophobicContact CH2-CG2 3.99Å; W76-V253 HydrophobicContact CZ3-CB 3.85Å; W76-V253 HydrophobicContact CZ3-CG2 3.32Å; V253-Y255 HydrophobicContact CG1-CD1 3.94Å; V253-T298 CarbonylContact O-C 3.56Å; V253-T298 WeakPolarHBondContact O-CA 3.48Å; V253-L299 HydrophobicContact CB-CB 4.35Å; V253-L299 HydrophobicContact CG1-CD1 4.46Å; V253-L299 PolarHBondContact N-O 3.38Å; V253-L299 PolarHBondContact O-N 2.81Å
254T69.3Low79.6Confident43 Ų4357.3 Ų57.326%0.26429%0.292SS..EExtended strand (participates in β ladder)trans-117.5129.7173.2-61.40000108.2I296 I297 T298T254-I296 HydrophobicContact CG2-CG2 3.53Å; T254-I297 VanDerWaalsContact CA-O 3.32Å; T254-I297 WeakPolarHBondContact CA-O 3.23Å; T254-T298 PolarHBondContact OG1-OG1 3.33Å; T254-T298 VanDerWaalsContact OG1-OG1 3.13Å
255Y68.1Low79.8Confident50 Ų5058.5 Ų58.520%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-144159.5176.864.7-86.3000111.3F75 V253 D257 I297 L299F75-Y255 AromaticContact CD2-CD1 3.98Å; F75-Y255 HydrophobicContact CD2-CD1 3.98Å; F75-Y255 HydrophobicContact CD2-CD2 4.3Å; F75-Y255 HydrophobicContact CD2-CE1 4Å; F75-Y255 HydrophobicContact CD2-CE2 4.32Å; F75-Y255 HydrophobicContact CD2-CG 4.12Å; F75-Y255 HydrophobicContact CE2-CD1 4.45Å; F75-Y255 AromaticContact CE2-CD2 3.96Å; F75-Y255 HydrophobicContact CE2-CD2 3.96Å; F75-Y255 HydrophobicContact CE2-CE1 4.39Å; F75-Y255 AromaticContact CE2-CE2 3.9Å; F75-Y255 HydrophobicContact CE2-CE2 3.9Å; F75-Y255 HydrophobicContact CE2-CG 4.24Å; V253-Y255 HydrophobicContact CG1-CD1 3.94Å; Y255-D257 HydrophobicContact CE2-CB 4.31Å; Y255-I297 HydrophobicContact CD1-CB 4.36Å; Y255-I297 HydrophobicContact CD2-CB 4.49Å; Y255-I297 HydrophobicContact CE1-CB 3.87Å; Y255-I297 HydrophobicContact CE1-CG2 3.82Å; Y255-I297 HydrophobicContact CE2-CB 4.02Å; Y255-I297 HydrophobicContact CE2-CD1 3.86Å; Y255-I297 HydrophobicContact CE2-CG1 4.27Å; Y255-I297 PolarHBondContact N-O 2.85Å; Y255-I297 PolarHBondContact O-N 3.27Å; Y255-L299 HydrophobicContact CE1-CD1 4.01Å; Y255-L299 HydrophobicContact CE1-CG 4.14Å
256L70.7Confident80.1Confident18 Ų1854.7 Ų54.79%0.09427%0.269CS..EExtended strand (participates in β ladder)trans-88.7111.2173.6-165.573000110.2T258 V294 Q295 I296 F409 F447 K450L256-T258 HydrophobicContact CD2-CG2 3.93Å; L256-T258 HydrophobicContact CG-CG2 4.05Å; L256-V294 HydrophobicContact CD1-CG1 3.44Å; L256-V294 VanDerWaalsContact CD1-CG1 3.44Å; L256-V294 HydrophobicContact CD2-CG1 4.42Å; L256-V294 HydrophobicContact CG-CG1 4.19Å; L256-Q295 CarbonylContact C-O 3.5Å; L256-Q295 WeakPolarHBondContact CA-O 3.46Å; L256-I296 HydrophobicContact CD1-CG1 3.87Å; L256-F409 HydrophobicContact CD1-CZ 3.92Å; L256-F447 HydrophobicContact CD2-CD2 3.96Å; L256-K450 PolarHBondContact O-NZ 3.46Å
257D73.9Confident80.1Confident19 Ų1957.6 Ų57.610%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-74.7123.3168.2177.611.6000109.2Y255 D259 K260 Q295 I297Y255-D257 HydrophobicContact CE2-CB 4.31Å; D257-D259 PolarHBondContact OD1-N 3.12Å; D257-K260 IonicContact OD2-NZ 3.78Å; D257-K260 PolarHBondContact OD2-NZ 3.3Å; D257-Q295 HydrophobicContact CB-CB 3.95Å; D257-Q295 PolarHBondContact N-O 2.84Å; D257-Q295 PolarHBondContact OD2-OE1 3.33Å; D257-I297 HydrophobicContact CB-CD1 3.63Å; D257-I297 HydrophobicContact CB-CG1 4.11Å
258T70.2Confident79.6Confident36 Ų3658.4 Ų58.422%0.22129%0.29CS..  trans-116.3-8.8-173.350.20000114.1L256 K260 I261 K450L256-T258 HydrophobicContact CD2-CG2 3.93Å; L256-T258 HydrophobicContact CG-CG2 4.05Å; T258-K260 PolarHBondContact O-N 3.49Å; T258-K260 VanDerWaalsContact O-N 3.15Å; T258-I261 HydrophobicContact CG2-CD1 3.5Å; T258-I261 PolarHBondContact O-N 3.41Å; T258-I261 VanDerWaalsContact O-N 3.16Å; T258-K450 HydrophobicContact CG2-CB 4.29Å; T258-K450 HydrophobicContact CG2-CD 3.1Å; T258-K450 HydrophobicContact CG2-CG 4.3Å; T258-K450 WeakPolarHBondContact OG1-CD 3.47Å; T258-K450 PolarHBondContact OG1-NZ 3.16Å
259D77.2Confident78.3Confident151 Ų15158.5 Ų58.581%0.80730%0.3SS*.THydrogen-bonded Turntrans-67.8-20.6-174.7-65.4-15.5000111.6D257D257-D259 PolarHBondContact OD1-N 3.12Å
260K78.9Confident76.8Confident103 Ų10360.7 Ų60.745%0.44831%0.309SS..THydrogen-bonded Turntrans-104.80.4-179.6-56.2-176.5-163.5100.20113.8D257 T258 E262 N293D257-K260 IonicContact OD2-NZ 3.78Å; D257-K260 PolarHBondContact OD2-NZ 3.3Å; T258-K260 PolarHBondContact O-N 3.49Å; T258-K260 VanDerWaalsContact O-N 3.15Å; K260-E262 PolarHBondContact O-N 2.83Å; K260-N293 HydrophobicContact CB-CB 4.26Å; K260-N293 WeakPolarHBondContact O-CB 3.33Å; K260-N293 PolarHBondContact O-ND2 2.83Å
261I80.7Confident75.4Confident34 Ų3466 Ų6617%0.17434%0.336CS..  trans-70.3124.1-176.2-66.7176.7000109.8T258 F263 A291 S292 V294T258-I261 HydrophobicContact CG2-CD1 3.5Å; T258-I261 PolarHBondContact O-N 3.41Å; T258-I261 VanDerWaalsContact O-N 3.16Å; I261-F263 HydrophobicContact CG2-CD2 4.08Å; I261-F263 HydrophobicContact CG2-CE1 4.23Å; I261-F263 HydrophobicContact CG2-CE2 3.56Å; I261-F263 HydrophobicContact CG2-CZ 3.65Å; I261-A291 HydrophobicContact CG2-CB 4.22Å; I261-S292 WeakPolarHBondContact CA-O 3.27Å; I261-V294 HydrophobicContact CD1-CB 4.39Å; I261-V294 HydrophobicContact CD1-CG1 3.99Å; I261-V294 HydrophobicContact CD1-CG2 4.11Å; I261-V294 HydrophobicContact CG1-CB 4.44Å; I261-V294 HydrophobicContact CG1-CG2 4.13Å; I261-V294 HydrophobicContact CG2-CG2 4.43Å
262E83.2Confident74.2Confident109 Ų10968.9 Ų68.951%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-113.2125.5176.3-69.9174.8177.300109.3K260 A291 S292K260-E262 PolarHBondContact O-N 2.83Å; E262-A291 CarbonylContact O-C 3.57Å; E262-A291 WeakPolarHBondContact O-CA 2.91Å; E262-S292 PolarHBondContact N-O 2.81Å; E262-S292 VanDerWaalsContact N-O 3.15Å; E262-S292 PolarHBondContact O-N 3.23Å
263F86.9Confident73.7Confident66 Ų6676.4 Ų76.429%0.28940%0.395SS..EExtended strand (participates in β ladder)trans-98.4115.8175.8-64.9-85.5000110.4I261 Y289 A291 L413 Q451 L452 P453I261-F263 HydrophobicContact CG2-CD2 4.08Å; I261-F263 HydrophobicContact CG2-CE1 4.23Å; I261-F263 HydrophobicContact CG2-CE2 3.56Å; I261-F263 HydrophobicContact CG2-CZ 3.65Å; F263-Y289 HydrophobicContact CB-CD1 4.5Å; F263-A291 HydrophobicContact CD1-CB 3.79Å; F263-A291 HydrophobicContact CE1-CB 3.63Å; F263-A291 HydrophobicContact CZ-CB 4.47Å; F263-L413 HydrophobicContact CD1-CD1 4.48Å; F263-L413 HydrophobicContact CE1-CD1 4.08Å; F263-L413 HydrophobicContact CE1-CD2 4.21Å; F263-Q451 WeakPolarHBondContact CE2-O 3.16Å; F263-Q451 WeakPolarHBondContact CZ-O 3.47Å; F263-L452 HydrophobicContact CZ-CD2 4.35Å; F263-P453 HydrophobicContact CB-CG 3.97Å; F263-P453 HydrophobicContact CD1-CG 3.64Å; F263-P453 HydrophobicContact CD2-CG 4.26Å; F263-P453 HydrophobicContact CE1-CG 4.15Å; F263-P453 HydrophobicContact CG-CG 3.69Å
264E88.2Confident73.3Confident116 Ų11683 Ų8354%0.54242%0.418SS..EExtended strand (participates in β ladder)trans-112.9140.6173.3-64.2-173.8158.400110.1S266 Y289 C290E264-S266 PolarHBondContact O-N 2.98Å; E264-Y289 CarbonylContact O-C 3.56Å; E264-Y289 WeakPolarHBondContact O-CA 3.29Å; E264-C290 PolarHBondContact N-O 2.99Å; E264-C290 PolarHBondContact O-N 2.95Å
265K89Confident73.9Confident73 Ų7384.1 Ų84.132%0.31743%0.428SS..EExtended strand (participates in β ladder)trans-68.6124.6169.9-69.9-174.5179.7175.40109.2K267 D276 Y289K265-K267 PolarHBondContact O-N 3.19Å; K265-D276 HydrophobicContact CD-CB 4.42Å; K265-D276 VanDerWaalsContact CD-CG 3.44Å; K265-D276 WeakPolarHBondContact CD-OD2 3.38Å; K265-D276 WeakPolarHBondContact CE-OD2 3.19Å; K265-D276 IonicContact NZ-OD2 2.66Å; K265-D276 PolarHBondContact NZ-OD2 2.74Å; K265-Y289 HydrophobicContact CD-CE1 4.46Å; K265-Y289 WeakPolarHBondContact CE-OH 3.25Å; K265-Y289 HydrophobicContact CG-CD1 3.95Å; K265-Y289 HydrophobicContact CG-CE1 3.44Å; K265-Y289 VanDerWaalsContact CG-CE1 3.44Å
266S86.8Confident74.8Confident22 Ų2283.9 Ų83.915%0.15443%0.43CS..PPolyproline II helixtrans-61.6136.1172.6-66.50000109.2E264 R277 V288E264-S266 PolarHBondContact O-N 2.98Å; S266-R277 VanDerWaalsContact O-CB 3.23Å; S266-R277 WeakPolarHBondContact O-CB 3.5Å; S266-R277 PolarHBondContact O-N 3.37Å; S266-V288 VanDerWaalsContact CB-O 3.31Å; S266-V288 WeakPolarHBondContact CB-O 3.42Å; S266-V288 PolarHBondContact N-O 3.45Å
267K83.9Confident75.6Confident105 Ų10587.9 Ų87.946%0.45744%0.443SS..EExtended strand (participates in β ladder)trans-103.7137.5179.3-60.4-63.5-177.1173.70110.4K265 R274 S275 D276K265-K267 PolarHBondContact O-N 3.19Å; K267-R274 HydrophobicContact CB-CB 4.18Å; K267-R274 HydrophobicContact CG-CB 4.48Å; K267-S275 WeakPolarHBondContact CA-O 3.47Å; K267-D276 IonicContact NZ-OD1 2.98Å; K267-D276 PolarHBondContact NZ-OD1 3.46Å
268S77Confident76.3Confident45 Ų4594.1 Ų94.132%0.31547%0.47SS..EExtended strand (participates in β ladder)trans-114.8148.4169.156.60000110.1S275S268-S275 PolarHBondContact N-O 3.16Å; S268-S275 PolarHBondContact O-N 2.66Å; S268-S275 PolarHBondContact O-OG 3.19Å
269G60.1Low77.3Confident49 Ų4995 Ų9551%0.50547%0.472SS..SBendtrans120.8157.917800000113.6
270F50.5Low77.9Confident132 Ų13292.5 Ų92.558%0.57946%0.462SS*.SBendtrans-80.5162.4177.8-173.6-103.9000111.7G272 W273 L674F270-G272 PolarHBondContact O-N 3.36Å; F270-G272 VanDerWaalsContact O-N 3.11Å; F270-W273 PolarHBondContact O-N 3.38Å; F270-W273 VanDerWaalsContact O-N 3.09Å; F270-L674 HydrophobicContact CE1-CD1 4.19Å; F270-L674 HydrophobicContact CZ-CD1 3.95Å
271L50.6Low78.3Confident124 Ų12488.8 Ų88.865%0.64945%0.446SS*.THydrogen-bonded Turntrans-40.2110.4-171.9-163.472.4000112.9
272G60.2Low78.5Confident70 Ų7090.2 Ų90.272%0.72245%0.454SS*.THydrogen-bonded Turntrans106.9-29.5176.600000115.9F270F270-G272 PolarHBondContact O-N 3.36Å; F270-G272 VanDerWaalsContact O-N 3.11Å
273W66.6Low78.6Confident226 Ų22691.5 Ų91.586%0.85647%0.465SS*.  trans-109.346.3-177.8-54.1102.7000112.1F270 S275F270-W273 PolarHBondContact O-N 3.38Å; F270-W273 VanDerWaalsContact O-N 3.09Å; W273-S275 PolarHBondContact O-N 3.45Å
274R68.3Low78.7Confident152 Ų15289.6 Ų89.657%0.57446%0.457SS*.  trans-74.2108.6-177.9-69-171.8-175.6-86.11.8110.5K267K267-R274 HydrophobicContact CB-CB 4.18Å; K267-R274 HydrophobicContact CG-CB 4.48Å
275S81.8Confident78.9Confident67 Ų6788.6 Ų88.647%0.46946%0.46SS..EExtended strand (participates in β ladder)trans-95.6159.5169.661.20000110.8K267 S268 W273 R277K267-S275 WeakPolarHBondContact CA-O 3.47Å; S268-S275 PolarHBondContact N-O 3.16Å; S268-S275 PolarHBondContact O-N 2.66Å; S268-S275 PolarHBondContact O-OG 3.19Å; W273-S275 PolarHBondContact O-N 3.45Å; S275-R277 PolarHBondContact O-N 3.29Å
276D86.3Confident79.2Confident45 Ų4585.1 Ų85.124%0.24145%0.445CS..EExtended strand (participates in β ladder)trans-61.5125.4169.6-72.9-11.2000108.9K265 K267 K278K265-D276 HydrophobicContact CD-CB 4.42Å; K265-D276 VanDerWaalsContact CD-CG 3.44Å; K265-D276 WeakPolarHBondContact CD-OD2 3.38Å; K265-D276 WeakPolarHBondContact CE-OD2 3.19Å; K265-D276 IonicContact NZ-OD2 2.66Å; K265-D276 PolarHBondContact NZ-OD2 2.74Å; K267-D276 IonicContact NZ-OD1 2.98Å; K267-D276 PolarHBondContact NZ-OD1 3.46Å; D276-K278 PolarHBondContact O-N 3.37Å
277R88.4Confident79.5Confident101 Ų10185.3 Ų85.338%0.38144%0.443SS..PPolyproline II helixtrans-65.6122.2177.4-173.9174.7178.8159.8-1.3108.8S266 S275 E279 V288S266-R277 VanDerWaalsContact O-CB 3.23Å; S266-R277 WeakPolarHBondContact O-CB 3.5Å; S266-R277 PolarHBondContact O-N 3.37Å; S275-R277 PolarHBondContact O-N 3.29Å; R277-E279 IonicContact CZ-OE1 2.69Å; R277-E279 IonicContact NE-OE1 3.46Å; R277-E279 PolarHBondContact NE-OE1 3.23Å; R277-E279 IonicContact NH2-OE1 3.67Å; R277-E279 PolarHBondContact NH2-OE1 3.38Å; R277-V288 HydrophobicContact CB-CB 4.23Å; R277-V288 HydrophobicContact CB-CG2 4.42Å; R277-V288 HydrophobicContact CG-CB 4.15Å; R277-V288 HydrophobicContact CG-CG2 3.92Å; R277-V288 PolarHBondContact O-N 3.33Å; R277-V288 VanDerWaalsContact O-N 3.07Å
278K88.3Confident80Confident150 Ų15080.5 Ų80.565%0.65242%0.423SS*.EExtended strand (participates in β ladder)trans-119136.5173.8-64.9-179.5-176.2178.90108.4D276 C286D276-K278 PolarHBondContact O-N 3.37Å; K278-C286 VanDerWaalsContact CA-O 3.28Å; K278-C286 WeakPolarHBondContact CA-O 3.41Å
279E91.4Very high80.6Confident56 Ų5679.3 Ų79.326%0.26241%0.412SS..EExtended strand (participates in β ladder)trans-135.2145.5176-71.1-177.7-170.600109R277 C286 V288 W414R277-E279 IonicContact CZ-OE1 2.69Å; R277-E279 IonicContact NE-OE1 3.46Å; R277-E279 PolarHBondContact NE-OE1 3.23Å; R277-E279 IonicContact NH2-OE1 3.67Å; R277-E279 PolarHBondContact NH2-OE1 3.38Å; E279-C286 PolarHBondContact N-O 2.81Å; E279-C286 WeakPolarHBondContact O-CA 3.4Å; E279-C286 WeakPolarHBondContact O-CB 3.48Å; E279-C286 PolarHBondContact O-N 2.78Å; E279-V288 HydrophobicContact CB-CG2 4.11Å; E279-V288 HydrophobicContact CG-CG2 3.91Å; E279-W414 PolarHBondContact OE2-NE1 2.95Å
280T89.5Confident82.1Confident98 Ų9878.2 Ų78.260%0.60140%0.396SS*.EExtended strand (participates in β ladder)trans-95.5118.5177.4-51.50000108.6H284T280-H284 WeakPolarHBondContact CA-O 2.93Å
281I87.3Confident83.8Confident24 Ų2472 Ų7212%0.12337%0.369CS..EExtended strand (participates in β ladder)trans-114.9127.3174.9-65.4-175.8000107.7N283 H284 W414 L458 K459I281-N283 PolarHBondContact O-N 2.82Å; I281-H284 PolarHBondContact N-O 3.11Å; I281-H284 WeakPolarHBondContact O-CB 3.12Å; I281-H284 PolarHBondContact O-N 3.14Å; I281-W414 HydrophobicContact CD1-CB 3.51Å; I281-W414 HydrophobicContact CD1-CD2 3.96Å; I281-W414 HydrophobicContact CD1-CG 3.32Å; I281-W414 HydrophobicContact CG1-CG 4.45Å; I281-L458 HydrophobicContact CB-CD2 3.89Å; I281-L458 HydrophobicContact CG2-CD2 3.82Å; I281-L458 HydrophobicContact CG2-CG 4.09Å; I281-L458 WeakPolarHBondContact O-CD2 3.21Å; I281-K459 HydrophobicContact CD1-CB 3.58Å; I281-K459 HydrophobicContact CD1-CD 3.72Å; I281-K459 HydrophobicContact CD1-CG 4.3Å
282N83.9Confident85.4Confident65 Ų6566.6 Ų66.635%0.34834%0.342SS..THydrogen-bonded Turntrans47.446.8-177.6-58.3-27.4000112H284 F474 G475N282-H284 PolarHBondContact O-CD2 2.87Å; N282-H284 PolarHBondContact O-N 3Å; N282-H284 VanDerWaalsContact O-N 3.09Å; N282-F474 PolarHBondContact ND2-O 3.05Å; N282-G475 VanDerWaalsContact ND2-CA 3.25Å; N282-G475 WeakPolarHBondContact ND2-CA 3.36Å
283N85.4Confident86.4Confident135 Ų13566 Ų6672%0.72232%0.322SS*.THydrogen-bonded Turntrans62.78.3-176.3-56.6-40.3000116.4I281I281-N283 PolarHBondContact O-N 2.82Å
284H89.1Confident86.8Confident27 Ų2755.3 Ų55.313%0.12528%0.281CS..EExtended strand (participates in β ladder)trans-102.4129.3175.4-67.7-76.2000111.7T280 I281 N282 C286 Y419 L458T280-H284 WeakPolarHBondContact CA-O 2.93Å; I281-H284 PolarHBondContact N-O 3.11Å; I281-H284 WeakPolarHBondContact O-CB 3.12Å; I281-H284 PolarHBondContact O-N 3.14Å; N282-H284 PolarHBondContact O-CD2 2.87Å; N282-H284 PolarHBondContact O-N 3Å; N282-H284 VanDerWaalsContact O-N 3.09Å; H284-C286 PolarHBondContact O-N 2.83Å; H284-Y419 AromaticContact CD2-CE2 3.85Å; H284-Y419 AromaticContact NE2-CE2 3.76Å; H284-L458 HydrophobicContact CB-CD2 3.82Å
285P92.8Very high87.1Confident94 Ų9449.5 Ų49.561%0.6126%0.261SS*.EExtended strand (participates in β ladder)trans-71.9119.2176.428.8-33000110.4
286C94.5Very high86.6Confident1 Ų148.5 Ų48.51%0.00725%0.25CC..EExtended strand (participates in β ladder)trans-113.4143.2179.9-68.20000111.2K278 E279 H284 W414 I415K278-C286 VanDerWaalsContact CA-O 3.28Å; K278-C286 WeakPolarHBondContact CA-O 3.41Å; E279-C286 PolarHBondContact N-O 2.81Å; E279-C286 WeakPolarHBondContact O-CA 3.4Å; E279-C286 WeakPolarHBondContact O-CB 3.48Å; E279-C286 PolarHBondContact O-N 2.78Å; H284-C286 PolarHBondContact O-N 2.83Å; C286-W414 HydrophobicContact CB-CB 3.87Å; C286-I415 WeakPolarHBondContact CA-O 3.49Å
287Q94.1Very high85.9Confident25 Ų2547 Ų4712%0.11724%0.242CC..EExtended strand (participates in β ladder)trans-88.1132.1165.1-72.2-178.5-700109Y289 I415 R417Q287-Y289 HydrophobicContact CB-CD2 4.21Å; Q287-Y289 HydrophobicContact CB-CE2 3.61Å; Q287-Y289 WeakPolarHBondContact O-CD2 3.32Å; Q287-Y289 PolarHBondContact OE1-OH 3.31Å; Q287-I415 PolarHBondContact N-O 3.01Å; Q287-I415 PolarHBondContact O-N 3.18Å; Q287-R417 VanDerWaalsContact NE2-CZ 3.34Å
288V93.4Very high85.3Confident4 Ų444 Ų442%0.02423%0.234CC..EExtended strand (participates in β ladder)trans-90.5122.2-180-170.10000109.4S266 R277 E279 L413 W414S266-V288 VanDerWaalsContact CB-O 3.31Å; S266-V288 WeakPolarHBondContact CB-O 3.42Å; S266-V288 PolarHBondContact N-O 3.45Å; R277-V288 HydrophobicContact CB-CB 4.23Å; R277-V288 HydrophobicContact CB-CG2 4.42Å; R277-V288 HydrophobicContact CG-CB 4.15Å; R277-V288 HydrophobicContact CG-CG2 3.92Å; R277-V288 PolarHBondContact O-N 3.33Å; R277-V288 VanDerWaalsContact O-N 3.07Å; E279-V288 HydrophobicContact CB-CG2 4.11Å; E279-V288 HydrophobicContact CG-CG2 3.91Å; V288-L413 CarbonylContact C-O 3.48Å; V288-L413 WeakPolarHBondContact CA-O 3.49Å; V288-W414 HydrophobicContact CG1-CZ2 4.49Å; V288-W414 HydrophobicContact CG2-CG 4.44Å
289Y91.4Very high84.9Confident21 Ų2137.2 Ų37.28%0.08221%0.205CC..EExtended strand (participates in β ladder)trans-112141.2176.9-72.7-98.3000110.2F263 E264 K265 Q287 R412 L413 I415 P453F263-Y289 HydrophobicContact CB-CD1 4.5Å; E264-Y289 CarbonylContact O-C 3.56Å; E264-Y289 WeakPolarHBondContact O-CA 3.29Å; K265-Y289 HydrophobicContact CD-CE1 4.46Å; K265-Y289 WeakPolarHBondContact CE-OH 3.25Å; K265-Y289 HydrophobicContact CG-CD1 3.95Å; K265-Y289 HydrophobicContact CG-CE1 3.44Å; K265-Y289 VanDerWaalsContact CG-CE1 3.44Å; Q287-Y289 HydrophobicContact CB-CD2 4.21Å; Q287-Y289 HydrophobicContact CB-CE2 3.61Å; Q287-Y289 WeakPolarHBondContact O-CD2 3.32Å; Q287-Y289 PolarHBondContact OE1-OH 3.31Å; Y289-R412 CarbonylContact O-C 3.46Å; Y289-R412 WeakPolarHBondContact O-CA 3.31Å; Y289-L413 PolarHBondContact N-O 2.87Å; Y289-L413 PolarHBondContact O-N 3.36Å; Y289-I415 HydrophobicContact CD2-CB 4.17Å; Y289-I415 HydrophobicContact CD2-CD1 3.76Å; Y289-I415 HydrophobicContact CD2-CG1 4.05Å; Y289-I415 HydrophobicContact CE2-CB 4.16Å; Y289-I415 HydrophobicContact CE2-CD1 4.1Å; Y289-I415 HydrophobicContact CE2-CG1 4.45Å; Y289-I415 HydrophobicContact CG-CD1 4.26Å; Y289-P453 HydrophobicContact CD1-CG 4.23Å; Y289-P453 HydrophobicContact CE1-CB 4.28Å; Y289-P453 HydrophobicContact CE1-CG 4.4Å; Y289-P453 HydrophobicContact CG-CG 4.49Å
290C90.1Very high84.4Confident26 Ų2637.8 Ų37.818%0.17621%0.205CC..EExtended strand (participates in β ladder)trans-100.7119166.8-177.80000107.4E264 A411E264-C290 PolarHBondContact N-O 2.99Å; E264-C290 PolarHBondContact O-N 2.95Å; C290-A411 WeakPolarHBondContact CA-O 3.36Å
291A86.2Confident84.1Confident1 Ų133.3 Ų33.31%0.00818%0.177CC..EExtended strand (participates in β ladder)trans-92.6106.8169.700000108.1I261 E262 F263 V294 K410 A411 L413I261-A291 HydrophobicContact CG2-CB 4.22Å; E262-A291 CarbonylContact O-C 3.57Å; E262-A291 WeakPolarHBondContact O-CA 2.91Å; F263-A291 HydrophobicContact CD1-CB 3.79Å; F263-A291 HydrophobicContact CE1-CB 3.63Å; F263-A291 HydrophobicContact CZ-CB 4.47Å; A291-V294 HydrophobicContact CB-CG2 3.98Å; A291-K410 CarbonylContact O-C 3.59Å; A291-K410 VanDerWaalsContact O-CA 3.26Å; A291-K410 WeakPolarHBondContact O-CA 3.09Å; A291-A411 HydrophobicContact CB-CB 4.25Å; A291-A411 PolarHBondContact N-O 3.43Å; A291-A411 PolarHBondContact O-N 2.91Å; A291-L413 HydrophobicContact CB-CD1 3.61Å
292S84.1Confident84.1Confident11 Ų1132.8 Ų32.88%0.07718%0.175CC..EExtended strand (participates in β ladder)trans-90.4160.6177.5-64.50000110.9I261 E262 V294I261-S292 WeakPolarHBondContact CA-O 3.27Å; E262-S292 PolarHBondContact N-O 2.81Å; E262-S292 VanDerWaalsContact N-O 3.15Å; E262-S292 PolarHBondContact O-N 3.23Å; S292-V294 PolarHBondContact O-N 3.19Å
293N81.2Confident84.2Confident58 Ų5829.7 Ų29.731%0.3116%0.159SC..EExtended strand (participates in β ladder)trans59.828.8176.5-55.9-33.2000114.6K260 Q295K260-N293 HydrophobicContact CB-CB 4.26Å; K260-N293 WeakPolarHBondContact O-CB 3.33Å; K260-N293 PolarHBondContact O-ND2 2.83Å; N293-Q295 PolarHBondContact O-N 3.33Å
294V75Confident84.2Confident0 Ų024 Ų240%013%0.127CC..EExtended strand (participates in β ladder)trans-71.4115.6172.3-167.90000107.7L256 I261 A291 S292 T408 F409 A411L256-V294 HydrophobicContact CD1-CG1 3.44Å; L256-V294 VanDerWaalsContact CD1-CG1 3.44Å; L256-V294 HydrophobicContact CD2-CG1 4.42Å; L256-V294 HydrophobicContact CG-CG1 4.19Å; I261-V294 HydrophobicContact CD1-CB 4.39Å; I261-V294 HydrophobicContact CD1-CG1 3.99Å; I261-V294 HydrophobicContact CD1-CG2 4.11Å; I261-V294 HydrophobicContact CG1-CB 4.44Å; I261-V294 HydrophobicContact CG1-CG2 4.13Å; I261-V294 HydrophobicContact CG2-CG2 4.43Å; A291-V294 HydrophobicContact CB-CG2 3.98Å; S292-V294 PolarHBondContact O-N 3.19Å; V294-T408 CarbonylContact O-C 3.59Å; V294-T408 WeakPolarHBondContact O-CA 3.48Å; V294-F409 HydrophobicContact CB-CD1 4.49Å; V294-F409 HydrophobicContact CB-CD2 3.75Å; V294-F409 HydrophobicContact CB-CE1 4.21Å; V294-F409 HydrophobicContact CB-CE2 3.46Å; V294-F409 VanDerWaalsContact CB-CE2 3.46Å; V294-F409 HydrophobicContact CB-CG 4.27Å; V294-F409 HydrophobicContact CB-CZ 3.74Å; V294-F409 HydrophobicContact CG1-CD2 4.06Å; V294-F409 HydrophobicContact CG1-CE1 3.93Å; V294-F409 HydrophobicContact CG1-CE2 3.23Å; V294-F409 HydrophobicContact CG1-CZ 3.17Å; V294-F409 HydrophobicContact CG2-CD2 4.44Å; V294-F409 HydrophobicContact CG2-CE2 4.24Å; V294-F409 PolarHBondContact N-O 3.09Å; V294-F409 VanDerWaalsContact N-O 3.12Å; V294-F409 VanDerWaalsContact O-CD1 3.25Å; V294-F409 WeakPolarHBondContact O-CD1 3.17Å; V294-F409 WeakPolarHBondContact O-CE1 3.18Å; V294-F409 PolarHBondContact O-N 3.45Å; V294-A411 HydrophobicContact CG2-CB 4.36Å
295Q76Confident84.1Confident30 Ų3022.7 Ų22.714%0.1412%0.121CC..EExtended strand (participates in β ladder)trans-110.6119.4-175-77.9-178.5-2.800110L256 D257 N293 I297 V406 K407 T408L256-Q295 CarbonylContact C-O 3.5Å; L256-Q295 WeakPolarHBondContact CA-O 3.46Å; D257-Q295 HydrophobicContact CB-CB 3.95Å; D257-Q295 PolarHBondContact N-O 2.84Å; D257-Q295 PolarHBondContact OD2-OE1 3.33Å; N293-Q295 PolarHBondContact O-N 3.33Å; Q295-I297 HydrophobicContact CB-CG1 4.49Å; Q295-V406 HydrophobicContact CB-CG1 4.3Å; Q295-V406 HydrophobicContact CG-CG1 4.06Å; Q295-K407 CarbonylContact C-O 3.47Å; Q295-K407 WeakPolarHBondContact CA-O 3.17Å; Q295-T408 HydrophobicContact CG-CG2 4.03Å; Q295-T408 WeakPolarHBondContact CG-OG1 2.95Å; Q295-T408 PolarHBondContact NE2-OG1 3.28Å
296I70.2Confident83.8Confident46 Ų4621.1 Ų21.124%0.23611%0.11CC..EExtended strand (participates in β ladder)trans-90.5119.6162.1-74160.2000107.1T254 L256 K407 F409T254-I296 HydrophobicContact CG2-CG2 3.53Å; L256-I296 HydrophobicContact CD1-CG1 3.87Å; I296-K407 PolarHBondContact N-O 2.81Å; I296-K407 PolarHBondContact O-N 3.11Å; I296-F409 HydrophobicContact CB-CE1 4.14Å; I296-F409 HydrophobicContact CD1-CD1 4.39Å; I296-F409 HydrophobicContact CD1-CE1 3.38Å; I296-F409 HydrophobicContact CD1-CZ 3.68Å; I296-F409 HydrophobicContact CG1-CE1 3.51Å; I296-F409 HydrophobicContact CG1-CZ 3.9Å
297I72.4Confident83.3Confident15 Ų1526.4 Ų26.48%0.07714%0.135CC..EExtended strand (participates in β ladder)trans-105.7118.8177-57.1-175.4000107.7T254 Y255 D257 Q295 L299 T404 V406T254-I297 VanDerWaalsContact CA-O 3.32Å; T254-I297 WeakPolarHBondContact CA-O 3.23Å; Y255-I297 HydrophobicContact CD1-CB 4.36Å; Y255-I297 HydrophobicContact CD2-CB 4.49Å; Y255-I297 HydrophobicContact CE1-CB 3.87Å; Y255-I297 HydrophobicContact CE1-CG2 3.82Å; Y255-I297 HydrophobicContact CE2-CB 4.02Å; Y255-I297 HydrophobicContact CE2-CD1 3.86Å; Y255-I297 HydrophobicContact CE2-CG1 4.27Å; Y255-I297 PolarHBondContact N-O 2.85Å; Y255-I297 PolarHBondContact O-N 3.27Å; D257-I297 HydrophobicContact CB-CD1 3.63Å; D257-I297 HydrophobicContact CB-CG1 4.11Å; Q295-I297 HydrophobicContact CB-CG1 4.49Å; I297-L299 HydrophobicContact CG2-CD2 3.78Å; I297-L299 HydrophobicContact CG2-CG 4.32Å; I297-T404 HydrophobicContact CG2-CG2 3.82Å; I297-V406 HydrophobicContact CG1-CG1 4.43Å; I297-V406 HydrophobicContact CG1-CG2 4.36Å
298T74.3Confident82.8Confident36 Ų3631.5 Ų31.522%0.22116%0.159CC..EExtended strand (participates in β ladder)trans-108.2115172.2-60.40000109F252 V253 T254 K405F252-T298 HydrophobicContact CD1-CG2 4.21Å; V253-T298 CarbonylContact O-C 3.56Å; V253-T298 WeakPolarHBondContact O-CA 3.48Å; T254-T298 PolarHBondContact OG1-OG1 3.33Å; T254-T298 VanDerWaalsContact OG1-OG1 3.13Å; T298-K405 PolarHBondContact N-O 2.73Å; T298-K405 PolarHBondContact O-N 3.38Å
299L80.2Confident82.4Confident9 Ų932.7 Ų32.75%0.04717%0.165CC..EExtended strand (participates in β ladder)trans-94.2131.9171.9-52.2-177.7000108.8W76 F252 V253 Y255 I297 M402 T404W76-L299 HydrophobicContact CH2-CB 3.71Å; W76-L299 HydrophobicContact CH2-CD1 4.42Å; W76-L299 HydrophobicContact CZ2-CB 3.7Å; W76-L299 HydrophobicContact CZ2-CD1 3.71Å; W76-L299 HydrophobicContact CZ2-CG 4.36Å; F252-L299 WeakPolarHBondContact CA-O 3.31Å; V253-L299 HydrophobicContact CB-CB 4.35Å; V253-L299 HydrophobicContact CG1-CD1 4.46Å; V253-L299 PolarHBondContact N-O 3.38Å; V253-L299 PolarHBondContact O-N 2.81Å; Y255-L299 HydrophobicContact CE1-CD1 4.01Å; Y255-L299 HydrophobicContact CE1-CG 4.14Å; I297-L299 HydrophobicContact CG2-CD2 3.78Å; I297-L299 HydrophobicContact CG2-CG 4.32Å; L299-M402 HydrophobicContact CB-SD 4.23Å; L299-M402 HydrophobicContact CD1-SD 4.27Å; L299-M402 HydrophobicContact CD2-SD 4.21Å; L299-M402 HydrophobicContact CG-SD 4.48Å; L299-T404 HydrophobicContact CD2-CG2 3.77Å; L299-T404 WeakPolarHBondContact CD2-OG1 3.44Å
300R80.4Confident81.9Confident67 Ų6733.1 Ų33.125%0.25317%0.169SC..EExtended strand (participates in β ladder)trans-123.4126.4174.1173.4-172.9178.2-179.90.2109.6P250 I251 F252 T302 M402 T403P250-R300 HydrophobicContact CB-CG 4.19Å; I251-R300 WeakPolarHBondContact O-CA 3.47Å; F252-R300 HydrophobicContact CD1-CB 3.85Å; F252-R300 HydrophobicContact CD1-CG 4.1Å; F252-R300 HydrophobicContact CE1-CB 3.67Å; F252-R300 HydrophobicContact CE1-CG 3.54Å; F252-R300 HydrophobicContact CZ-CG 3.99Å; R300-T302 HydrophobicContact CG-CG2 4.23Å; R300-M402 CarbonylContact O-C 3.6Å; R300-M402 VanDerWaalsContact O-CA 3.28Å; R300-M402 WeakPolarHBondContact O-CA 3.5Å; R300-T403 WeakPolarHBondContact CB-OG1 3.46Å; R300-T403 PolarHBondContact N-O 3.47Å; R300-T403 PolarHBondContact O-N 3.13Å
301R84.8Confident81.5Confident4 Ų438.9 Ų38.92%0.01519%0.187CC..EExtended strand (participates in β ladder)trans-112141175-74.5171.169.1172.61.6111.2W76 E81 I251 E303 K400 V401 M402W76-R301 HydrophobicContact CH2-CB 4.38Å; W76-R301 HydrophobicContact CH2-CG 3.58Å; W76-R301 HydrophobicContact CZ2-CG 3.77Å; W76-R301 HydrophobicContact CZ3-CG 4.2Å; E81-R301 IonicContact OE1-CZ 2.68Å; E81-R301 IonicContact OE1-NH1 2.62Å; E81-R301 PolarHBondContact OE1-NH1 2.66Å; E81-R301 IonicContact OE2-CZ 2.9Å; E81-R301 IonicContact OE2-NH1 3.9Å; E81-R301 PolarHBondContact OE2-NH1 3.31Å; E81-R301 IonicContact OE2-NH2 2.75Å; E81-R301 PolarHBondContact OE2-NH2 2.98Å; I251-R301 HydrophobicContact CB-CB 4.26Å; I251-R301 PolarHBondContact N-O 2.76Å; I251-R301 VanDerWaalsContact N-O 3.08Å; I251-R301 PolarHBondContact O-N 3.47Å; R301-E303 WeakPolarHBondContact CB-OE2 3.42Å; R301-E303 IonicContact CZ-OE1 3.48Å; R301-E303 IonicContact NE-OE1 3.56Å; R301-E303 PolarHBondContact NE-OE1 2.86Å; R301-E303 IonicContact NE-OE2 2.73Å; R301-E303 IonicContact NH2-OE1 3.31Å; R301-E303 PolarHBondContact NH2-OE1 3.12Å; R301-K400 VanDerWaalsContact CZ-CE 3.47Å; R301-K400 VanDerWaalsContact NH2-CE 3.33Å; R301-V401 WeakPolarHBondContact CA-O 3.09Å; R301-M402 HydrophobicContact CG-CB 4.39Å; R301-M402 HydrophobicContact CG-CG 4.25Å
302T86.6Confident81Confident14 Ų1442 Ų429%0.08620%0.203CC..  trans-141.24.8-175.958.60000114.1P250 R300 H304 L305 L310 V401P250-T302 HydrophobicContact CB-CG2 4.14Å; R300-T302 HydrophobicContact CG-CG2 4.23Å; T302-H304 PolarHBondContact O-N 2.77Å; T302-L305 HydrophobicContact CG2-CD1 4.01Å; T302-L305 WeakPolarHBondContact O-CB 3.3Å; T302-L305 PolarHBondContact O-N 3.45Å; T302-L305 VanDerWaalsContact O-N 3.15Å; T302-L310 HydrophobicContact CG2-CD2 4.2Å; T302-V401 PolarHBondContact N-O 3.13Å; T302-V401 VanDerWaalsContact N-O 3.17Å
303E85.8Confident80.4Confident0 Ų042.6 Ų42.60%021%0.205CC..THydrogen-bonded Turntrans-60.5-32-176.360.9-84.1-164.100113.2R301 L305 R398 P399 V401R301-E303 WeakPolarHBondContact CB-OE2 3.42Å; R301-E303 IonicContact CZ-OE1 3.48Å; R301-E303 IonicContact NE-OE1 3.56Å; R301-E303 PolarHBondContact NE-OE1 2.86Å; R301-E303 IonicContact NE-OE2 2.73Å; R301-E303 IonicContact NH2-OE1 3.31Å; R301-E303 PolarHBondContact NH2-OE1 3.12Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.08Å; E303-R398 HydrophobicContact CB-CG 4.45Å; E303-R398 HydrophobicContact CG-CG 4.24Å; E303-R398 PolarHBondContact O-NE 3.36Å; E303-R398 VanDerWaalsContact O-NE 3.09Å; E303-R398 PolarHBondContact O-NH2 2.93Å; E303-P399 WeakPolarHBondContact CB-O 3.33Å; E303-V401 HydrophobicContact CB-CB 4.22Å; E303-V401 HydrophobicContact CB-CG2 4.14Å; E303-V401 PolarHBondContact OE2-N 2.77Å; E303-V401 VanDerWaalsContact OE2-N 3.07Å
304H86.2Confident79.9Confident14 Ų1444 Ų447%0.06521%0.213CC..THydrogen-bonded Turntrans-74.7-17.3179.763.1-63.6000114L247 Q249 T302L247-H304 PolarHBondContact O-CD2 2.72Å; Q249-H304 PolarHBondContact O-CE1 3.3Å; Q249-H304 PolarHBondContact O-NE2 3.23Å; T302-H304 PolarHBondContact O-N 2.77Å
305L87Confident79.3Confident0 Ų049.6 Ų49.60%024%0.239CC..SBendtrans-76.4141-177.7-60.3-179.3000111.1L247 T248 P250 T302 E303 N309 L310 L313 H367L247-L305 WeakPolarHBondContact O-CD2 3.28Å; T248-L305 VanDerWaalsContact C-CD2 3.41Å; T248-L305 WeakPolarHBondContact O-CD2 3.36Å; P250-L305 HydrophobicContact CB-CD1 4.34Å; P250-L305 HydrophobicContact CG-CD1 3.95Å; T302-L305 HydrophobicContact CG2-CD1 4.01Å; T302-L305 WeakPolarHBondContact O-CB 3.3Å; T302-L305 PolarHBondContact O-N 3.45Å; T302-L305 VanDerWaalsContact O-N 3.15Å; E303-L305 VanDerWaalsContact C-N 3.28Å; E303-L305 PolarHBondContact O-N 3.08Å; L305-N309 HydrophobicContact CB-CB 4.27Å; L305-N309 HydrophobicContact CD2-CB 4.35Å; L305-L310 HydrophobicContact CB-CD2 4.26Å; L305-L310 HydrophobicContact CB-CG 4.02Å; L305-L310 HydrophobicContact CD1-CD2 3.91Å; L305-L310 HydrophobicContact CD1-CG 4.49Å; L305-L313 HydrophobicContact CD1-CD1 3.61Å; L305-H367 PolarHBondContact O-ND1 2.95Å
306T85.6Confident78.3Confident61 Ų6153.3 Ų53.337%0.37426%0.256SS..  trans-71.6162.2170.267.30000110.8E308 N309 L310T306-E308 PolarHBondContact O-N 3.48Å; T306-N309 PolarHBondContact N-OD1 2.99Å; T306-N309 PolarHBondContact O-N 3.03Å; T306-N309 PolarHBondContact OG1-N 3.24Å; T306-N309 VanDerWaalsContact OG1-N 3.13Å; T306-N309 PolarHBondContact OG1-OD1 2.85Å; T306-L310 WeakPolarHBondContact O-CG 3.35Å; T306-L310 PolarHBondContact O-N 3.09Å
307E83.9Confident77.3Confident112 Ų11256.6 Ų56.652%0.52327%0.271SS..Hα-helixtrans-58.1-34.5172.3-70-167.8-172.200112.6L310 R311 H367E307-L310 PolarHBondContact O-N 2.82Å; E307-R311 WeakPolarHBondContact O-CB 3.17Å; E307-R311 WeakPolarHBondContact O-CG 3.18Å; E307-R311 PolarHBondContact O-N 2.85Å; E307-R311 IonicContact OE2-CZ 3.28Å; E307-R311 IonicContact OE2-NH2 2.84Å; E307-R311 PolarHBondContact OE2-NH2 3.5Å; E307-H367 HydrophobicContact CG-CB 4.31Å
308E84.5Confident75.7Confident133 Ų13360 Ų6062%0.62129%0.289SS*.Hα-helixtrans-63.3-51.5175.7-176173.9-161.700110.6T306 L310 R311 D312T306-E308 PolarHBondContact O-N 3.48Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 3.14Å; E308-R311 WeakPolarHBondContact O-CA 3.31Å; E308-R311 WeakPolarHBondContact O-CB 3.33Å; E308-R311 PolarHBondContact O-N 2.73Å; E308-D312 PolarHBondContact O-N 3.49Å
309N84.6Confident74Confident29 Ų2960.1 Ų60.116%0.15529%0.291CS..Hα-helixtrans-59.5-38.6177.7-57.2132.1000112.1L305 T306 D312 L313L305-N309 HydrophobicContact CB-CB 4.27Å; L305-N309 HydrophobicContact CD2-CB 4.35Å; T306-N309 PolarHBondContact N-OD1 2.99Å; T306-N309 PolarHBondContact O-N 3.03Å; T306-N309 PolarHBondContact OG1-N 3.24Å; T306-N309 VanDerWaalsContact OG1-N 3.13Å; T306-N309 PolarHBondContact OG1-OD1 2.85Å; N309-D312 PolarHBondContact O-N 3.05Å; N309-L313 WeakPolarHBondContact O-CB 3.37Å; N309-L313 WeakPolarHBondContact O-CD1 3.48Å; N309-L313 WeakPolarHBondContact O-CG 3.36Å; N309-L313 PolarHBondContact O-N 3.44Å
310L81.6Confident72Confident30 Ų3064.6 Ų64.616%0.15732%0.315CS..Hα-helixtrans-65.4-39175.5-74.8172.9000112.7T302 L305 T306 E307 E308 N314 H367T302-L310 HydrophobicContact CG2-CD2 4.2Å; L305-L310 HydrophobicContact CB-CD2 4.26Å; L305-L310 HydrophobicContact CB-CG 4.02Å; L305-L310 HydrophobicContact CD1-CD2 3.91Å; L305-L310 HydrophobicContact CD1-CG 4.49Å; T306-L310 WeakPolarHBondContact O-CG 3.35Å; T306-L310 PolarHBondContact O-N 3.09Å; E307-L310 PolarHBondContact O-N 2.82Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 3.14Å; L310-N314 WeakPolarHBondContact O-CB 3.44Å; L310-N314 PolarHBondContact O-N 3.01Å; L310-N314 PolarHBondContact O-ND2 2.87Å; L310-H367 WeakPolarHBondContact CD1-CE1 3.44Å
311R80Confident69.8Low147 Ų14764 Ų6456%0.55532%0.317SS*.Hα-helixtrans-65.8-43.6174.5-72.9170.1-163.6-174.39.2110.7E307 E308 N314 Q315E307-R311 WeakPolarHBondContact O-CB 3.17Å; E307-R311 WeakPolarHBondContact O-CG 3.18Å; E307-R311 PolarHBondContact O-N 2.85Å; E307-R311 IonicContact OE2-CZ 3.28Å; E307-R311 IonicContact OE2-NH2 2.84Å; E307-R311 PolarHBondContact OE2-NH2 3.5Å; E308-R311 WeakPolarHBondContact O-CA 3.31Å; E308-R311 WeakPolarHBondContact O-CB 3.33Å; E308-R311 PolarHBondContact O-N 2.73Å; R311-N314 PolarHBondContact O-N 2.82Å; R311-Q315 WeakPolarHBondContact O-CB 3.37Å; R311-Q315 VanDerWaalsContact O-CG 3.3Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 3.34Å
312D76.3Confident67.2Low67 Ų6768.9 Ų68.936%0.35834%0.343SS..Hα-helixtrans-64.2-42.2178.4-66-15.5000111.5E308 N309 Q315 Q316E308-D312 PolarHBondContact O-N 3.49Å; N309-D312 PolarHBondContact O-N 3.05Å; D312-Q315 CarbonylContact O-C 3.55Å; D312-Q315 PolarHBondContact O-N 3.2Å; D312-Q316 WeakPolarHBondContact O-CB 3.09Å; D312-Q316 WeakPolarHBondContact O-CG 3.41Å; D312-Q316 PolarHBondContact O-N 3.07Å
313L72.4Confident64.6Low22 Ų2275.6 Ų75.612%0.11537%0.374CS..Hα-helixtrans-65.6-40.2175.5-73.6165.7000112.3P250 L305 N309 Q315 Q316 H317P250-L313 HydrophobicContact CG-CD1 3.66Å; P250-L313 HydrophobicContact CG-CD2 4.47Å; L305-L313 HydrophobicContact CD1-CD1 3.61Å; N309-L313 WeakPolarHBondContact O-CB 3.37Å; N309-L313 WeakPolarHBondContact O-CD1 3.48Å; N309-L313 WeakPolarHBondContact O-CG 3.36Å; N309-L313 PolarHBondContact O-N 3.44Å; L313-Q315 VanDerWaalsContact C-N 3.33Å; L313-Q316 PolarHBondContact O-N 2.79Å; L313-H317 WeakPolarHBondContact O-CB 3.42Å; L313-H317 PolarHBondContact O-N 3.37Å
314N69.3Low62.1Low88 Ų8881.9 Ų81.947%0.47140%0.403SS..Hα-helixtrans-67.8-36.6174.3-74.1-18.1000111.2L310 R311 H317 N318L310-N314 WeakPolarHBondContact O-CB 3.44Å; L310-N314 PolarHBondContact O-N 3.01Å; L310-N314 PolarHBondContact O-ND2 2.87Å; R311-N314 PolarHBondContact O-N 2.82Å; N314-H317 PolarHBondContact O-N 3.33Å; N314-N318 WeakPolarHBondContact O-CB 2.81Å; N314-N318 PolarHBondContact O-N 2.88Å; N314-N318 PolarHBondContact O-ND2 2.83Å
315Q63.3Low59.1Low117 Ų11784.9 Ų84.955%0.54744%0.438SS..Hα-helixtrans-66.1-43.7173.3-78.8175.851.700111.2R311 D312 L313 H317 N318 S319R311-Q315 WeakPolarHBondContact O-CB 3.37Å; R311-Q315 VanDerWaalsContact O-CG 3.3Å; R311-Q315 WeakPolarHBondContact O-CG 3.49Å; R311-Q315 PolarHBondContact O-N 3.34Å; D312-Q315 CarbonylContact O-C 3.55Å; D312-Q315 PolarHBondContact O-N 3.2Å; L313-Q315 VanDerWaalsContact C-N 3.33Å; Q315-H317 VanDerWaalsContact C-N 3.31Å; Q315-H317 PolarHBondContact O-N 3.36Å; Q315-N318 CarbonylContact O-C 3.49Å; Q315-N318 PolarHBondContact O-N 2.68Å; Q315-S319 WeakPolarHBondContact O-CA 3.39Å; Q315-S319 WeakPolarHBondContact O-CB 3.04Å; Q315-S319 PolarHBondContact O-N 2.91Å; Q315-S319 PolarHBondContact O-OG 3.31Å
316Q54.1Low56.1Low108 Ų10888.7 Ų88.751%0.50548%0.477SS..Hα-helixtrans-62.5-37.9174.9-75.5177.71.800112.5D312 L313 S319 N320D312-Q316 WeakPolarHBondContact O-CB 3.09Å; D312-Q316 WeakPolarHBondContact O-CG 3.41Å; D312-Q316 PolarHBondContact O-N 3.07Å; L313-Q316 PolarHBondContact O-N 2.79Å; Q316-S319 WeakPolarHBondContact CA-OG 3.2Å; Q316-S319 PolarHBondContact O-OG 3.08Å; Q316-N320 PolarHBondContact O-N 3.41Å; Q316-N320 PolarHBondContact O-ND2 2.98Å; Q316-N320 VanDerWaalsContact O-ND2 3.08Å
317H49.2Very low53.1Low116 Ų11691.1 Ų91.154%0.53750%0.503SS..Hα-helixtrans-68.9-39.3175.6-155.7-64.9000111.1L313 N314 Q315L313-H317 WeakPolarHBondContact O-CB 3.42Å; L313-H317 PolarHBondContact O-N 3.37Å; N314-H317 PolarHBondContact O-N 3.33Å; Q315-H317 VanDerWaalsContact C-N 3.31Å; Q315-H317 PolarHBondContact O-N 3.36Å
318N39.2Very low50.1Low86 Ų8689.6 Ų89.646%0.4652%0.517SS..Hα-helixtrans-84-21.9179.7-70.1-16.3000113.9N314 Q315 D321 N322N314-N318 WeakPolarHBondContact O-CB 2.81Å; N314-N318 PolarHBondContact O-N 2.88Å; N314-N318 PolarHBondContact O-ND2 2.83Å; Q315-N318 CarbonylContact O-C 3.49Å; Q315-N318 PolarHBondContact O-N 2.68Å; N318-D321 CarbonylContact O-C 3.26Å; N318-D321 VanDerWaalsContact O-C 3.28Å; N318-D321 VanDerWaalsContact O-CA 3.32Å; N318-D321 WeakPolarHBondContact O-CA 3.37Å; N318-D321 WeakPolarHBondContact O-CB 3.14Å; N318-D321 PolarHBondContact O-N 3.44Å; N318-N322 VanDerWaalsContact O-CB 3.28Å; N318-N322 WeakPolarHBondContact O-CB 3.3Å; N318-N322 PolarHBondContact O-N 3.39Å
319S38.9Very low47.1Very low38 Ų3887.3 Ų87.327%0.26653%0.53SS..Hα-helixtrans-79.1-31.8179.364.10000109.9Q315 Q316 D321 N322 E323Q315-S319 WeakPolarHBondContact O-CA 3.39Å; Q315-S319 WeakPolarHBondContact O-CB 3.04Å; Q315-S319 PolarHBondContact O-N 2.91Å; Q315-S319 PolarHBondContact O-OG 3.31Å; Q316-S319 WeakPolarHBondContact CA-OG 3.2Å; Q316-S319 PolarHBondContact O-OG 3.08Å; S319-D321 PolarHBondContact O-N 2.77Å; S319-N322 PolarHBondContact O-N 3.42Å; S319-E323 PolarHBondContact O-N 3.22Å
320N38.8Very low44Very low103 Ų10389.8 Ų89.855%0.55156%0.562SS**Hα-helixtrans-62.7-15.9160.9-67.4-26.9000112.7Q316Q316-N320 PolarHBondContact O-N 3.41Å; Q316-N320 PolarHBondContact O-ND2 2.98Å; Q316-N320 VanDerWaalsContact O-ND2 3.08Å
321D34.7Very low41.1Very low54 Ų5495.1 Ų95.129%0.28960%0.596SS.*Hα-helixtrans-105.8-17.8176.5-65.3-33.2000114.2N318 S319N318-D321 CarbonylContact O-C 3.26Å; N318-D321 VanDerWaalsContact O-C 3.28Å; N318-D321 VanDerWaalsContact O-CA 3.32Å; N318-D321 WeakPolarHBondContact O-CA 3.37Å; N318-D321 WeakPolarHBondContact O-CB 3.14Å; N318-D321 PolarHBondContact O-N 3.44Å; S319-D321 PolarHBondContact O-N 2.77Å
322N30.2Very low38.2Very low108 Ų10894.1 Ų94.158%0.57861%0.61SS**Hα-helixtrans-145.74.4-166.9-77.2-49.9000117N318 S319 H324N318-N322 VanDerWaalsContact O-CB 3.28Å; N318-N322 WeakPolarHBondContact O-CB 3.3Å; N318-N322 PolarHBondContact O-N 3.39Å; S319-N322 PolarHBondContact O-N 3.42Å; N322-H324 PolarHBondContact O-N 2.73Å
323E31Very low35.6Very low155 Ų15594.6 Ų94.672%0.72463%0.631SS**SBendtrans-71.883.1162-82.4-171.9173.500108.8S319S319-E323 PolarHBondContact O-N 3.22Å
324H32.5Very low33.1Very low131 Ų131101.3 Ų101.361%0.60667%0.667SS**SBendtrans-175.663134.6-9246.1000107.6N322N322-H324 PolarHBondContact O-N 2.73Å
325G24.1Very low30.8Very low78 Ų78104.5 Ų104.580%0.80468%0.683SS**  trans-153.772.1-178.600000113
326G23.3Very low28.8Very low79 Ų79106 Ų10681%0.81469%0.694SS**  trans-156.991.7175.600000112.4
327A23Very low27.1Very low113 Ų113107.4 Ų107.493%0.93471%0.71SS**  trans-78.1130.2170.300000110.6
328G21.4Very low25.8Very low79 Ų79108.7 Ų108.781%0.81471%0.714SS**  trans157.186.5163.500000117.4
329G20.7Very low24.9Very low86 Ų86110 Ų11089%0.88773%0.727SS**  trans73.7113.313500000119.8
330G20.6Very low24.1Very low81 Ų81110.2 Ų110.284%0.83574%0.735SS**  trans163.3107.2159.600000113.5
331V19.8Very low23.6Very low142 Ų142107.6 Ų107.686%0.86173%0.732SS**  trans-60.2135.3175178.70000111.1
332C20.2Very low23.3Very low126 Ų126116.5 Ų116.585%0.85176%0.762SS**  trans128.9120.1151.9-71.70000114.5
333G20.8Very low23.4Very low77 Ų77114 Ų11479%0.79476%0.761SS**  trans108.6117.2154.500000114.8D335G333-D335 PolarHBondContact O-N 3.4Å
334D20.5Very low23.7Very low163 Ų163109 Ų10987%0.87274%0.739SS**  trans-41.6118.6174.9-73.8-46.2000113.4
335D20.4Very low23.8Very low154 Ų154109.9 Ų109.982%0.82475%0.748SS**  trans-172.4141.4139.3-93-30.6000110.2G333 V337G333-D335 PolarHBondContact O-N 3.4Å; D335-V337 PolarHBondContact O-N 2.88Å
336I20.9Very low24.5Very low149 Ų149107.7 Ų107.776%0.76472%0.717SS**PPolyproline II helixtrans-72.2117.3-167.4-63.3168.8000110.5F338I336-F338 HydrophobicContact CG2-CD2 4.2Å; I336-F338 HydrophobicContact CG2-CE2 3.67Å; I336-F338 HydrophobicContact CG2-CZ 4.19Å
337V19Very low25.3Very low138 Ų138106.9 Ų106.984%0.83670%0.697SS**PPolyproline II helixtrans-99.9126.9179.2178.20000110.6D335D335-V337 PolarHBondContact O-N 2.88Å
338F21.8Very low25.7Very low143 Ų143106.7 Ų106.763%0.62768%0.68SS**PPolyproline II helixtrans-99.7142.1178.1-77-91.5000111.9I336I336-F338 HydrophobicContact CG2-CD2 4.2Å; I336-F338 HydrophobicContact CG2-CE2 3.67Å; I336-F338 HydrophobicContact CG2-CZ 4.19Å
339P21.3Very low26.3Very low113 Ų113106.1 Ų106.173%0.73466%0.658SS**  trans-108.7137.3-177.536.2-26.1000114.5
340G22.3Very low27.2Very low43 Ų43102.9 Ų102.944%0.44362%0.62SS.*  trans115.5118.2152.100000116.9
341G27.2Very low28.2Very low47 Ų47104.5 Ų104.549%0.48561%0.606SS.*  trans-175.693.1168.600000112.9
342R27.8Very low29.1Very low242 Ų24298.8 Ų98.891%0.91357%0.572SS**  trans-99.4124.2171.2-84.1-178.6167.7-170.2-2.2109.4
343G32.2Very low30Very low54 Ų5497.1 Ų97.156%0.55757%0.567SS**  trans47.493.6155.100000117.5L345G343-L345 PolarHBondContact O-N 3.46Å
344N37.3Very low31.1Very low51 Ų5194.8 Ų94.827%0.27354%0.54SS..  trans-60.4117.8179.7-70.7-20.9000112.5L346 T347N344-L346 PolarHBondContact O-N 2.83Å; N344-T347 PolarHBondContact O-N 3.37Å; N344-T347 PolarHBondContact O-OG1 3.23Å
345L35.4Very low32.3Very low150 Ų15091 Ų9179%0.78553%0.526SS*.THydrogen-bonded Turntrans-53.5-18.2173.9-84155.1000114.6G343G343-L345 PolarHBondContact O-N 3.46Å
346L38.9Very low33.5Very low31 Ų3189 Ų8916%0.16251%0.512CS..Hα-helixtrans-77.6-23.8-174.1-63165.5000114.4N344 N348 L349 L350 L588N344-L346 PolarHBondContact O-N 2.83Å; L346-N348 PolarHBondContact O-N 3.32Å; L346-L349 HydrophobicContact CD2-CD2 3.99Å; L346-L349 PolarHBondContact O-N 2.99Å; L346-L349 VanDerWaalsContact O-N 3.07Å; L346-L350 WeakPolarHBondContact O-CB 3.39Å; L346-L350 WeakPolarHBondContact O-CD1 3.16Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.88Å; L346-L588 WeakPolarHBondContact CD1-O 3.48Å
347T39.4Very low34.9Very low62 Ų6285.4 Ų85.438%0.3850%0.497SS..Hα-helixtrans-61.2-34173.828.70000111.3N344 Q351N344-T347 PolarHBondContact O-N 3.37Å; N344-T347 PolarHBondContact O-OG1 3.23Å; T347-Q351 PolarHBondContact O-N 3.38Å
348N32.2Very low36.3Very low110 Ų11086 Ų8659%0.58849%0.488SS*.Hα-helixtrans-71.2-36172.5-67.1-33.4000112.4L346 Q351L346-N348 PolarHBondContact O-N 3.32Å; N348-Q351 WeakPolarHBondContact O-CB 3.38Å; N348-Q351 PolarHBondContact O-N 3.13Å
349L34.3Very low37.5Very low67 Ų6782.7 Ų82.735%0.35148%0.48SS..Hα-helixtrans-70.4-32178.1-16179.2000112.5L135 L346 Q351 V467L135-L349 HydrophobicContact CD1-CD2 4.04Å; L346-L349 HydrophobicContact CD2-CD2 3.99Å; L346-L349 PolarHBondContact O-N 2.99Å; L346-L349 VanDerWaalsContact O-N 3.07Å; L349-Q351 PolarHBondContact O-N 2.77Å; L349-V467 HydrophobicContact CD2-CG1 3.57Å; L349-V467 HydrophobicContact CG-CG1 3.87Å
350L39.9Very low38.5Very low18 Ų1885.8 Ų85.89%0.09448%0.482CS..THydrogen-bonded Turntrans-78.6-4.6174.1-71.3160.3000112.9L346 T352 Y465 V467 L588 V589L346-L350 WeakPolarHBondContact O-CB 3.39Å; L346-L350 WeakPolarHBondContact O-CD1 3.16Å; L346-L350 WeakPolarHBondContact O-CG 3.5Å; L346-L350 PolarHBondContact O-N 2.88Å; L350-T352 PolarHBondContact O-N 2.7Å; L350-T352 VanDerWaalsContact O-N 3.08Å; L350-Y465 HydrophobicContact CB-CD1 4.31Å; L350-Y465 HydrophobicContact CD2-CD1 3.93Å; L350-Y465 HydrophobicContact CD2-CD2 4.47Å; L350-Y465 HydrophobicContact CD2-CE1 4.21Å; L350-Y465 HydrophobicContact CD2-CG 4.05Å; L350-Y465 WeakPolarHBondContact O-CD1 3.27Å; L350-V467 HydrophobicContact CD2-CG2 4.47Å; L350-L588 HydrophobicContact CD1-CB 4.29Å; L350-L588 HydrophobicContact CD2-CB 4.17Å; L350-L588 HydrophobicContact CD2-CD1 3.67Å; L350-L588 HydrophobicContact CD2-CG 4.46Å; L350-V589 HydrophobicContact CD1-CG2 3.88Å
351Q40.5Very low39.6Very low115 Ų11585.8 Ų85.854%0.53747%0.474SS..  trans-80.593.9178.1-163.4164.36.500109.8T347 N348 L349 H466T347-Q351 PolarHBondContact O-N 3.38Å; N348-Q351 WeakPolarHBondContact O-CB 3.38Å; N348-Q351 PolarHBondContact O-N 3.13Å; L349-Q351 PolarHBondContact O-N 2.77Å; Q351-H466 PolarHBondContact O-CD2 3.39Å; Q351-H466 VanDerWaalsContact O-CD2 3.28Å; Q351-H466 PolarHBondContact O-NE2 2.65Å
352T39.7Very low40.3Very low22 Ų2292 Ų9214%0.13550%0.496CS..  trans-57.2152.615354.60000108.5L350 A354 Y465L350-T352 PolarHBondContact O-N 2.7Å; L350-T352 VanDerWaalsContact O-N 3.08Å; T352-A354 PolarHBondContact O-N 3.48Å; T352-Y465 HydrophobicContact CG2-CD1 4.46Å
353A39Very low41.4Very low91 Ų9183.7 Ų83.775%0.75247%0.469SS*.SBendtrans-55.981.7169.700000111.2
354A42.2Very low42Very low28 Ų2885.8 Ų85.823%0.23148%0.481CS..EExtended strand (participates in β ladder)trans-96.2122-178.400000107.1T352 V406 K407T352-A354 PolarHBondContact O-N 3.48Å; A354-V406 WeakPolarHBondContact CA-O 3.16Å; A354-K407 HydrophobicContact CB-CG 4.18Å
355S47.4Very low42.6Very low83 Ų8385.2 Ų85.258%0.5848%0.479SS*.EExtended strand (participates in β ladder)trans-86.4118.4168.3-63.20000107.6V406S355-V406 PolarHBondContact N-O 2.96Å; S355-V406 VanDerWaalsContact N-O 3.17Å; S355-V406 PolarHBondContact O-N 3.44Å
356E45.1Very low43.3Very low111 Ų11181.5 Ų81.552%0.51946%0.463SS..EExtended strand (participates in β ladder)trans-96118.2170.3-64.6-165170.300109.1K405E356-K405 HydrophobicContact CG-CD 4.24Å; E356-K405 HydrophobicContact CG-CG 4.11Å; E356-K405 WeakPolarHBondContact OE1-CD 3.48Å; E356-K405 WeakPolarHBondContact OE1-CE 3.46Å; E356-K405 IonicContact OE1-NZ 2.73Å; E356-K405 PolarHBondContact OE1-NZ 3.38Å
357T50.3Low44.1Very low75 Ų7582.4 Ų82.446%0.4647%0.466SS..EExtended strand (participates in β ladder)trans-110.1118.5169.648.20000108.6T404T357-T404 PolarHBondContact N-O 2.89Å; T357-T404 PolarHBondContact O-N 2.86Å
358K47Very low44.8Very low149 Ų14986.9 Ų86.965%0.64848%0.483SS*.EExtended strand (participates in β ladder)trans-89.6104.1168.9-67.7-173.3179175.80107.6K360 T403K358-K360 VanDerWaalsContact C-N 3.31Å; K358-K360 PolarHBondContact O-N 2.82Å; K358-T403 HydrophobicContact CG-CG2 4.06Å
359T48.3Very low45.7Very low74 Ų7486.6 Ų86.645%0.45450%0.495SS..EExtended strand (participates in β ladder)trans-75.290.7163.8450000107.1M402T359-M402 PolarHBondContact N-O 3.03Å; T359-M402 PolarHBondContact OG1-O 3.16Å; T359-M402 VanDerWaalsContact OG1-O 3.07Å
360K41.2Very low46.6Very low178 Ų17884.4 Ų84.477%0.77449%0.487SS*.  trans-82.7118.8162.6-79.5-173174.3-174.30107.2K358K358-K360 VanDerWaalsContact C-N 3.31Å; K358-K360 PolarHBondContact O-N 2.82Å
361T45.8Very low47.4Very low44 Ų4487.3 Ų87.327%0.2751%0.509SS..  trans-65135.316015.70000107.9L363 K400T361-L363 PolarHBondContact O-N 3.35Å; T361-K400 PolarHBondContact OG1-O 3Å
362D43.1Very low48.7Very low176 Ų17684.9 Ų84.994%0.94150%0.495SS*.SBendtrans-65.7-1.9179.2-75.4-36.9000113.5
363L50.3Low50.3Low69 Ų6985.7 Ų85.736%0.36150%0.499SS..SBendtrans-75.3135.1171.8-76.998000110.5T361 V365 P374T361-L363 PolarHBondContact O-N 3.35Å; L363-V365 VanDerWaalsContact C-N 3.35Å; L363-V365 PolarHBondContact O-N 2.84Å; L363-P374 HydrophobicContact CD2-CB 4.14Å
364A45.5Very low51.6Low97 Ų9783.1 Ų83.180%0.80248%0.475SS*.  trans-60.897.1167.400000109T366A364-T366 PolarHBondContact O-N 3.05Å
365V48.6Very low53Low39 Ų3985.1 Ų85.124%0.23648%0.481CS..  trans-73111.5174.6-173.90000107.8L363 P399 V401L363-V365 VanDerWaalsContact C-N 3.35Å; L363-V365 PolarHBondContact O-N 2.84Å; V365-P399 HydrophobicContact CG2-CB 4.13Å; V365-V401 HydrophobicContact CB-CG2 3.88Å; V365-V401 HydrophobicContact CG1-CG2 3.62Å; V365-V401 HydrophobicContact CG2-CG2 3.7Å
366T51Low54.2Low72 Ų7288.7 Ų88.744%0.44249%0.488SS..  trans-83.1129.116755.80000108.6A364 E368A364-T366 PolarHBondContact O-N 3.05Å; T366-E368 PolarHBondContact O-N 2.88Å
367H56.5Low55.9Low50 Ų5083.7 Ų83.723%0.23147%0.465CS..SBendtrans-73.7-7.2172.2-75.4-78.4000112.7L305 E307 L310 R398L305-H367 PolarHBondContact O-ND1 2.95Å; E307-H367 HydrophobicContact CG-CB 4.31Å; L310-H367 WeakPolarHBondContact CD1-CE1 3.44Å; H367-R398 VanDerWaalsContact C-NH2 3.33Å; H367-R398 PolarHBondContact O-NH2 3.38Å
368E52Low57.6Low157 Ų15783.3 Ų83.373%0.73446%0.463SS*.SBendtrans-71.5150.5166.9-60178.917100110.7T366 A370T366-E368 PolarHBondContact O-N 2.88Å; E368-A370 PolarHBondContact O-N 2.84Å
369A52.2Low59.3Low103 Ų10377 Ų7785%0.85144%0.439SS*.SBendtrans-49.597.7-179.900000110.8
370A53.1Low60.9Low22 Ų2280.9 Ų80.918%0.18245%0.451CS..  trans-91.2150.6-167.800000110.5E368 Y372E368-A370 PolarHBondContact O-N 2.84Å; A370-Y372 PolarHBondContact O-N 2.79Å
371S56.4Low63Low78 Ų7876.6 Ų76.655%0.54543%0.434SS..  trans-49123.5170.6175.90000111N373S371-N373 PolarHBondContact O-N 2.69Å; S371-N373 PolarHBondContact OG-N 2.68Å
372Y67.5Low64.9Low64 Ų6474.5 Ų74.525%0.25142%0.422SS..SBendtrans-68-12.3177-60.6-70.8000113.1D53 T85 A370 P374 I396 G397D53-Y372 HydrophobicContact CB-CD1 4.11Å; D53-Y372 HydrophobicContact CB-CD2 3.86Å; D53-Y372 HydrophobicContact CB-CE1 3.72Å; D53-Y372 HydrophobicContact CB-CE2 3.41Å; D53-Y372 VanDerWaalsContact CB-CE2 3.41Å; D53-Y372 HydrophobicContact CB-CG 4.19Å; D53-Y372 VanDerWaalsContact CG-OH 3.26Å; D53-Y372 VanDerWaalsContact OD2-CE2 3.26Å; D53-Y372 WeakPolarHBondContact OD2-CE2 3.25Å; D53-Y372 PolarHBondContact OD2-OH 2.7Å; T85-Y372 PolarHBondContact O-OH 3.12Å; A370-Y372 PolarHBondContact O-N 2.79Å; Y372-P374 VanDerWaalsContact C-CD 3.49Å; Y372-P374 WeakPolarHBondContact O-CD 3.23Å; Y372-I396 CarbonylContact O-C 3.18Å; Y372-G397 CarbonylContact O-C 3.58Å; Y372-G397 WeakPolarHBondContact O-CA 3.31Å; Y372-G397 PolarHBondContact O-N 2.92Å
373N73.5Confident66.9Low40 Ų4066.7 Ų66.721%0.21438%0.379CS..  trans-123.672.1172.9-1745.5000110.3S371 N375 H376 I377S371-N373 PolarHBondContact O-N 2.69Å; S371-N373 PolarHBondContact OG-N 2.68Å; N373-N375 PolarHBondContact O-N 2.76Å; N373-H376 PolarHBondContact O-N 2.94Å; N373-H376 PolarHBondContact OD1-N 3.37Å; N373-I377 PolarHBondContact ND2-N 3.47Å; N373-I377 PolarHBondContact ND2-O 3.16Å; N373-I377 PolarHBondContact OD1-N 2.81Å
374P67Low68.4Low37 Ų3765 Ų6524%0.2437%0.373CS..THydrogen-bonded Turntrans-65.5-29.2-172.327.3-36000112.6L363 Y372 G397 P399L363-P374 HydrophobicContact CD2-CB 4.14Å; Y372-P374 VanDerWaalsContact C-CD 3.49Å; Y372-P374 WeakPolarHBondContact O-CD 3.23Å; P374-G397 WeakPolarHBondContact CD-O 3.36Å; P374-P399 HydrophobicContact CB-CG 4.2Å; P374-P399 HydrophobicContact CG-CG 3.87Å
375N70.7Confident69.6Low70 Ų7065.4 Ų65.437%0.37437%0.367SS..THydrogen-bonded Turntrans-91.67-178.1-68.3-35.6000113.4N373 I377N373-N375 PolarHBondContact O-N 2.76Å; N375-I377 HydrophobicContact CB-CD1 3.95Å; N375-I377 HydrophobicContact CB-CG1 3.83Å; N375-I377 PolarHBondContact O-N 3.44Å; N375-I377 VanDerWaalsContact O-N 3.1Å
376H73.9Confident70.2Confident157 Ų15769.4 Ų69.473%0.72739%0.388SS*.  trans46.639.6-175.7-70.7-76.4000113.2N373 T378N373-H376 PolarHBondContact O-N 2.94Å; N373-H376 PolarHBondContact OD1-N 3.37Å; H376-T378 PolarHBondContact O-N 2.79Å
377I81Confident70.5Confident7 Ų768.1 Ų68.14%0.03638%0.378CS..  trans-63.7133.5179.4-65.1161.7000107.6W17 N373 N375 Q381 I391 L393 I396W17-I377 HydrophobicContact CH2-CB 4.44Å; W17-I377 HydrophobicContact CH2-CG2 4.16Å; W17-I377 VanDerWaalsContact CZ2-O 3.32Å; W17-I377 WeakPolarHBondContact CZ2-O 3.41Å; N373-I377 PolarHBondContact ND2-N 3.47Å; N373-I377 PolarHBondContact ND2-O 3.16Å; N373-I377 PolarHBondContact OD1-N 2.81Å; N375-I377 HydrophobicContact CB-CD1 3.95Å; N375-I377 HydrophobicContact CB-CG1 3.83Å; N375-I377 PolarHBondContact O-N 3.44Å; N375-I377 VanDerWaalsContact O-N 3.1Å; I377-Q381 HydrophobicContact CG2-CB 4.03Å; I377-I391 HydrophobicContact CD1-CG2 4.03Å; I377-L393 HydrophobicContact CD1-CD2 4.07Å; I377-I396 HydrophobicContact CD1-CG2 3.85Å
378T84Confident70.1Confident67 Ų6772.2 Ų72.241%0.41140%0.401SS..  trans-86.6156.4175.260.90000110.9H376 Q380 Q381 Y382H376-T378 PolarHBondContact O-N 2.79Å; T378-Q380 PolarHBondContact O-N 2.83Å; T378-Q381 WeakPolarHBondContact O-CB 3.31Å; T378-Q381 PolarHBondContact O-N 3.33Å; T378-Q381 VanDerWaalsContact O-N 3.07Å; T378-Q381 WeakPolarHBondContact OG1-CB 3.21Å; T378-Q381 VanDerWaalsContact OG1-CD 3.23Å; T378-Q381 VanDerWaalsContact OG1-CG 3.25Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.2Å; T378-Q381 PolarHBondContact OG1-N 2.78Å; T378-Q381 PolarHBondContact OG1-OE1 2.8Å; T378-Y382 PolarHBondContact O-N 3.01Å
379A83.3Confident70Confident16 Ų1671.5 Ų71.513%0.13241%0.408CS..Hα-helixtrans-53.9-41.5175.300000112.1W17 Q381 Y382 F383W17-A379 HydrophobicContact CD2-CB 4.45Å; W17-A379 HydrophobicContact CG-CB 4.17Å; A379-Q381 VanDerWaalsContact C-N 3.35Å; A379-Q381 PolarHBondContact O-N 3.11Å; A379-Y382 PolarHBondContact O-N 3.4Å; A379-F383 HydrophobicContact CB-CD2 4.45Å; A379-F383 HydrophobicContact CB-CE2 4.48Å; A379-F383 WeakPolarHBondContact O-CD2 3.22Å; A379-F383 PolarHBondContact O-N 3.16Å
380Q83Confident69.7Low155 Ų15575.5 Ų75.572%0.72441%0.409SS*.Hα-helixtrans-64.1-39.4179.1-69.8-177.1-9.900112.5T378 S384T378-Q380 PolarHBondContact O-N 2.83Å; Q380-S384 WeakPolarHBondContact O-CB 3.29Å; Q380-S384 PolarHBondContact O-N 3.4Å
381Q83.5Confident69.6Low89 Ų8977.7 Ų77.742%0.41642%0.417SS..Hα-helixtrans-65.8-51.4174.2-75.6164.3-2700109.9I377 T378 A379 F383 S384 I387I377-Q381 HydrophobicContact CG2-CB 4.03Å; T378-Q381 WeakPolarHBondContact O-CB 3.31Å; T378-Q381 PolarHBondContact O-N 3.33Å; T378-Q381 VanDerWaalsContact O-N 3.07Å; T378-Q381 WeakPolarHBondContact OG1-CB 3.21Å; T378-Q381 VanDerWaalsContact OG1-CD 3.23Å; T378-Q381 VanDerWaalsContact OG1-CG 3.25Å; T378-Q381 WeakPolarHBondContact OG1-CG 3.2Å; T378-Q381 PolarHBondContact OG1-N 2.78Å; T378-Q381 PolarHBondContact OG1-OE1 2.8Å; A379-Q381 VanDerWaalsContact C-N 3.35Å; A379-Q381 PolarHBondContact O-N 3.11Å; Q381-F383 PolarHBondContact O-N 3.23Å; Q381-S384 WeakPolarHBondContact O-CB 3.37Å; Q381-S384 PolarHBondContact O-N 3.4Å; Q381-S384 PolarHBondContact O-OG 2.84Å; Q381-I387 HydrophobicContact CB-CD1 4.18Å; Q381-I387 WeakPolarHBondContact O-CD1 3.26Å
382Y85.9Confident69.5Low0 Ų079.3 Ų79.30%042%0.415CS..Hα-helixtrans-51.1-54.6-179.9-177.3-104.2000112.5W17 D39 H41 R43 L48 T378 A379 S384 L393 I396W17-Y382 AromaticContact CE3-CD1 3.82Å; W17-Y382 HydrophobicContact CE3-CD1 3.82Å; W17-Y382 HydrophobicContact CE3-CD2 4.35Å; W17-Y382 HydrophobicContact CE3-CE1 4.19Å; W17-Y382 AromaticContact CE3-CG 3.88Å; W17-Y382 HydrophobicContact CE3-CG 3.88Å; W17-Y382 HydrophobicContact CH2-CD2 4.11Å; W17-Y382 HydrophobicContact CH2-CG 4Å; W17-Y382 AromaticContact CZ3-CD1 3.84Å; W17-Y382 HydrophobicContact CZ3-CD1 3.84Å; W17-Y382 AromaticContact CZ3-CD2 3.54Å; W17-Y382 HydrophobicContact CZ3-CD2 3.54Å; W17-Y382 HydrophobicContact CZ3-CE1 4.27Å; W17-Y382 AromaticContact CZ3-CE2 3.99Å; W17-Y382 HydrophobicContact CZ3-CE2 3.99Å; W17-Y382 AromaticContact CZ3-CG 3.42Å; W17-Y382 HydrophobicContact CZ3-CG 3.42Å; W17-Y382 VanDerWaalsContact CZ3-CG 3.42Å; D39-Y382 WeakPolarHBondContact OD2-CE1 3.09Å; D39-Y382 PolarHBondContact OD2-OH 2.82Å; H41-Y382 AromaticContact CE1-CD2 3.37Å; H41-Y382 WeakPolarHBondContact CE1-CD2 3.48Å; H41-Y382 AromaticContact CE1-CE1 3.88Å; H41-Y382 AromaticContact CE1-CE2 3.2Å; H41-Y382 WeakPolarHBondContact CE1-CE2 3.46Å; H41-Y382 AromaticContact CE1-CG 3.81Å; H41-Y382 AromaticContact CE1-CZ 3.5Å; H41-Y382 PolarHBondContact CE1-O 2.65Å; H41-Y382 AromaticContact ND1-CE1 3.75Å; H41-Y382 AromaticContact ND1-CE2 3.37Å; H41-Y382 WeakPolarHBondContact ND1-CE2 3.37Å; H41-Y382 AromaticContact ND1-CZ 3.25Å; H41-Y382 PolarHBondContact ND1-OH 2.9Å; R43-Y382 PolarHBondContact NH1-OH 3.11Å; L48-Y382 HydrophobicContact CD1-CE1 4.23Å; L48-Y382 VanDerWaalsContact CD1-OH 3.29Å; L48-Y382 WeakPolarHBondContact CD1-OH 3.36Å; L48-Y382 HydrophobicContact CD2-CE1 4.22Å; T378-Y382 PolarHBondContact O-N 3.01Å; A379-Y382 PolarHBondContact O-N 3.4Å; Y382-S384 PolarHBondContact O-N 2.89Å; Y382-L393 HydrophobicContact CD2-CD2 4.49Å; Y382-I396 HydrophobicContact CD2-CD1 4.45Å; Y382-I396 HydrophobicContact CD2-CG2 3.7Å; Y382-I396 HydrophobicContact CE2-CB 4.31Å; Y382-I396 HydrophobicContact CE2-CD1 3.56Å; Y382-I396 HydrophobicContact CE2-CG1 4.03Å; Y382-I396 HydrophobicContact CE2-CG2 3.68Å
383F86.9Confident69Low11 Ų1177.2 Ų77.25%0.04841%0.408CS..THydrogen-bonded Turntrans-79.31.8-176.5-66.6-66.3000114.4P6 Y10 H13 W17 D39 L48 A379 Q381P6-F383 HydrophobicContact CB-CB 3.5Å; P6-F383 HydrophobicContact CB-CD2 3.53Å; P6-F383 HydrophobicContact CB-CE2 4.48Å; P6-F383 HydrophobicContact CB-CG 3.66Å; P6-F383 HydrophobicContact CG-CD2 4.35Å; Y10-F383 AromaticContact CD2-CD1 3.81Å; Y10-F383 HydrophobicContact CD2-CD1 3.81Å; Y10-F383 HydrophobicContact CD2-CE1 4.46Å; Y10-F383 HydrophobicContact CD2-CG 4.45Å; Y10-F383 HydrophobicContact CG-CD1 4.19Å; Y10-F383 HydrophobicContact CG-CE1 4.41Å; H13-F383 HydrophobicContact CB-CE1 3.56Å; H13-F383 HydrophobicContact CB-CZ 3.61Å; W17-F383 HydrophobicContact CB-CE2 4.29Å; W17-F383 HydrophobicContact CB-CZ 4.44Å; W17-F383 HydrophobicContact CG-CE2 4.44Å; D39-F383 HydrophobicContact CB-CE1 4.44Å; L48-F383 HydrophobicContact CD2-CZ 4.41Å; A379-F383 HydrophobicContact CB-CD2 4.45Å; A379-F383 HydrophobicContact CB-CE2 4.48Å; A379-F383 WeakPolarHBondContact O-CD2 3.22Å; A379-F383 PolarHBondContact O-N 3.16Å; Q381-F383 PolarHBondContact O-N 3.23Å
384S81.8Confident68.3Low35 Ų3577.4 Ų77.425%0.24541%0.41CS..  trans-73.9131.5179.270.80000110.9Q380 Q381 Y382 N386 I387Q380-S384 WeakPolarHBondContact O-CB 3.29Å; Q380-S384 PolarHBondContact O-N 3.4Å; Q381-S384 WeakPolarHBondContact O-CB 3.37Å; Q381-S384 PolarHBondContact O-N 3.4Å; Q381-S384 PolarHBondContact O-OG 2.84Å; Y382-S384 PolarHBondContact O-N 2.89Å; S384-N386 PolarHBondContact O-N 3.33Å; S384-I387 WeakPolarHBondContact OG-CG1 3.22Å
385P68.9Low68.2Low104 Ų10476.5 Ų76.568%0.67540%0.403SS*.THydrogen-bonded Turntrans-70.6-15-178.425.7-33.3000113.7
386N62.7Low68.4Low124 Ų12473.2 Ų73.266%0.66339%0.385SS*.THydrogen-bonded Turntrans-115.336.2-168.6-67.6-24.2000113.2S384 N388S384-N386 PolarHBondContact O-N 3.33Å; N386-N388 PolarHBondContact O-N 2.84Å
387I55.6Low68.5Low45 Ų4565.9 Ų65.923%0.23135%0.352CS..  trans-70.8106.8168.1-83.6168.2000109.1Q381 S384 T389 I391 L393Q381-I387 HydrophobicContact CB-CD1 4.18Å; Q381-I387 WeakPolarHBondContact O-CD1 3.26Å; S384-I387 WeakPolarHBondContact OG-CG1 3.22Å; I387-T389 PolarHBondContact O-N 2.91Å; I387-I391 HydrophobicContact CG2-CB 4.37Å; I387-L393 HydrophobicContact CB-CD1 3.61Å; I387-L393 HydrophobicContact CD1-CD1 3.76Å; I387-L393 HydrophobicContact CD1-CD2 4.12Å; I387-L393 HydrophobicContact CD1-CG 4.44Å; I387-L393 HydrophobicContact CG1-CD1 4.27Å; I387-L393 HydrophobicContact CG2-CD1 3.31Å; I387-L393 HydrophobicContact CG2-CG 4.14Å
388N48.6Very low68.4Low135 Ų13566.7 Ų66.772%0.72236%0.355SS*.  trans-51.2128.3163-75.4-34.2000109N386 Q390N386-N388 PolarHBondContact O-N 2.84Å; N388-Q390 PolarHBondContact O-N 3.04Å
389T49.3Very low68.2Low142 Ų14264 Ų6487%0.87134%0.338SS*.THydrogen-bonded Turntrans-27.20.6172.641.80000121I387I387-T389 PolarHBondContact O-N 2.91Å
390Q46.5Very low68.2Low187 Ų18764.8 Ų64.887%0.87434%0.339SS*.THydrogen-bonded Turntrans-84.3-27.5179.5-71.7-176.1-6.400114.2N388N388-Q390 PolarHBondContact O-N 3.04Å
391I51.7Low68.3Low68 Ų6859.3 Ų59.335%0.34932%0.316SS..SBendtrans-96.1110.6171.7-56.1175.6000106.7I377 I387 L393I377-I391 HydrophobicContact CD1-CG2 4.03Å; I387-I391 HydrophobicContact CG2-CB 4.37Å; I391-L393 HydrophobicContact CB-CG 4.47Å; I391-L393 HydrophobicContact CG2-CD2 4.14Å; I391-L393 HydrophobicContact CG2-CG 4.12Å; I391-L393 PolarHBondContact O-N 3.42Å
392H54.4Low68.2Low112 Ų11256.4 Ų56.452%0.51930%0.303SS..  trans-69.280.2172.1-143.6-81.7000108.1D394 D395H392-D394 IonicContact CE1-OD2 2.94Å; H392-D394 PolarHBondContact CE1-OD2 2.98Å; H392-D394 IonicContact ND1-OD2 3.18Å; H392-D394 PolarHBondContact ND1-OD2 3.44Å; H392-D394 PolarHBondContact O-N 2.88Å; H392-D395 PolarHBondContact O-N 3.24Å
393L55.8Low67.9Low20 Ų2058 Ų5811%0.10531%0.312CS..G310 helixtrans-62-1.9-177.3-74.9158.9000114.1H41 R43 I377 Y382 I387 I391 D395 I396H41-L393 WeakPolarHBondContact NE2-CD1 3.32Å; R43-L393 PolarHBondContact NH2-O 2.97Å; I377-L393 HydrophobicContact CD1-CD2 4.07Å; Y382-L393 HydrophobicContact CD2-CD2 4.49Å; I387-L393 HydrophobicContact CB-CD1 3.61Å; I387-L393 HydrophobicContact CD1-CD1 3.76Å; I387-L393 HydrophobicContact CD1-CD2 4.12Å; I387-L393 HydrophobicContact CD1-CG 4.44Å; I387-L393 HydrophobicContact CG1-CD1 4.27Å; I387-L393 HydrophobicContact CG2-CD1 3.31Å; I387-L393 HydrophobicContact CG2-CG 4.14Å; I391-L393 HydrophobicContact CB-CG 4.47Å; I391-L393 HydrophobicContact CG2-CD2 4.14Å; I391-L393 HydrophobicContact CG2-CG 4.12Å; I391-L393 PolarHBondContact O-N 3.42Å; L393-D395 PolarHBondContact O-N 3.03Å; L393-I396 HydrophobicContact CD2-CG2 4.29Å
394D60.1Low67.6Low45 Ų4558.4 Ų58.424%0.24132%0.316CS..G310 helixtrans-60.8-19.7164.8-65.2-33000112.3K74 H392 K400K74-D394 WeakPolarHBondContact CE-OD2 3.22Å; K74-D394 IonicContact NZ-OD2 3.89Å; K74-D394 PolarHBondContact NZ-OD2 3.01Å; H392-D394 IonicContact CE1-OD2 2.94Å; H392-D394 PolarHBondContact CE1-OD2 2.98Å; H392-D394 IonicContact ND1-OD2 3.18Å; H392-D394 PolarHBondContact ND1-OD2 3.44Å; H392-D394 PolarHBondContact O-N 2.88Å; D394-K400 PolarHBondContact O-NZ 3.38Å
395D63.6Low67.3Low18 Ų1860.7 Ų60.710%0.09632%0.321CS..G310 helixtrans-113.337.4-171.5-61.6-23.6000113.6H392 L393 G397 K400H392-D395 PolarHBondContact O-N 3.24Å; L393-D395 PolarHBondContact O-N 3.03Å; D395-G397 PolarHBondContact O-N 3.18Å; D395-G397 VanDerWaalsContact O-N 3.15Å; D395-K400 IonicContact OD1-NZ 3.49Å
396I75.8Confident67.7Low0 Ų057.1 Ų57.10%030%0.297CS..SBendtrans-69.63.7168.257.3140.4000114.2W17 L48 V51 L52 Y372 I377 Y382 L393W17-I396 HydrophobicContact CZ3-CD1 4.33Å; L48-I396 HydrophobicContact CD1-CD1 3.45Å; L48-I396 VanDerWaalsContact CD1-CD1 3.45Å; V51-I396 HydrophobicContact CG1-CD1 3.96Å; V51-I396 HydrophobicContact CG1-CG1 3.85Å; L52-I396 HydrophobicContact CD2-CD1 4.19Å; L52-I396 WeakPolarHBondContact CD2-O 3.43Å; L52-I396 HydrophobicContact CG-CD1 4.46Å; Y372-I396 CarbonylContact O-C 3.18Å; I377-I396 HydrophobicContact CD1-CG2 3.85Å; Y382-I396 HydrophobicContact CD2-CD1 4.45Å; Y382-I396 HydrophobicContact CD2-CG2 3.7Å; Y382-I396 HydrophobicContact CE2-CB 4.31Å; Y382-I396 HydrophobicContact CE2-CD1 3.56Å; Y382-I396 HydrophobicContact CE2-CG1 4.03Å; Y382-I396 HydrophobicContact CE2-CG2 3.68Å; L393-I396 HydrophobicContact CD2-CG2 4.29Å
397G75.9Confident68Low3 Ų354.1 Ų54.13%0.03128%0.278CS..SBendtrans-115.9-152.9175.400000110V51 Y372 P374 D395V51-G397 WeakPolarHBondContact O-CA 3.29Å; Y372-G397 CarbonylContact O-C 3.58Å; Y372-G397 WeakPolarHBondContact O-CA 3.31Å; Y372-G397 PolarHBondContact O-N 2.92Å; P374-G397 WeakPolarHBondContact CD-O 3.36Å; D395-G397 PolarHBondContact O-N 3.18Å; D395-G397 VanDerWaalsContact O-N 3.15Å
398R79.4Confident69Low25 Ų2555.1 Ų55.19%0.09429%0.286CS..SBendtrans-55129.4167.4-170.6174.2-169.3159.83.9110E303 H367 K400E303-R398 HydrophobicContact CB-CG 4.45Å; E303-R398 HydrophobicContact CG-CG 4.24Å; E303-R398 PolarHBondContact O-NE 3.36Å; E303-R398 VanDerWaalsContact O-NE 3.09Å; E303-R398 PolarHBondContact O-NH2 2.93Å; H367-R398 VanDerWaalsContact C-NH2 3.33Å; H367-R398 PolarHBondContact O-NH2 3.38Å; R398-K400 PolarHBondContact O-N 3.28Å
399P80.3Confident70.2Confident11 Ų1149.9 Ų49.97%0.07126%0.257CS..PPolyproline II helixtrans-53.8126.8174.9-26.633.2000111.6E303 V365 P374E303-P399 WeakPolarHBondContact CB-O 3.33Å; V365-P399 HydrophobicContact CG2-CB 4.13Å; P374-P399 HydrophobicContact CB-CG 4.2Å; P374-P399 HydrophobicContact CG-CG 3.87Å
400K83.4Confident71.7Confident32 Ų3249.6 Ų49.614%0.13924%0.244CC..PPolyproline II helixtrans-76.9130.1-176.9-63-173.5177.6100.20111.1R301 T361 D394 D395 R398R301-K400 VanDerWaalsContact CZ-CE 3.47Å; R301-K400 VanDerWaalsContact NH2-CE 3.33Å; T361-K400 PolarHBondContact OG1-O 3Å; D394-K400 PolarHBondContact O-NZ 3.38Å; D395-K400 IonicContact OD1-NZ 3.49Å; R398-K400 PolarHBondContact O-N 3.28Å
401V84.1Confident73.5Confident39 Ų3940.7 Ų40.724%0.23620%0.202CC..  trans-102.796168.5178.90000106.9R301 T302 E303 V365R301-V401 WeakPolarHBondContact CA-O 3.09Å; T302-V401 PolarHBondContact N-O 3.13Å; T302-V401 VanDerWaalsContact N-O 3.17Å; E303-V401 HydrophobicContact CB-CB 4.22Å; E303-V401 HydrophobicContact CB-CG2 4.14Å; E303-V401 PolarHBondContact OE2-N 2.77Å; E303-V401 VanDerWaalsContact OE2-N 3.07Å; V365-V401 HydrophobicContact CB-CG2 3.88Å; V365-V401 HydrophobicContact CG1-CG2 3.62Å; V365-V401 HydrophobicContact CG2-CG2 3.7Å
402M82.5Confident75.3Confident29 Ų2942.6 Ų42.614%0.14321%0.205CC..EExtended strand (participates in β ladder)trans-117.6134.5-172-169.1175.967.400112.1W76 L299 R300 R301 T359W76-M402 HydrophobicContact CZ2-SD 3.87Å; L299-M402 HydrophobicContact CB-SD 4.23Å; L299-M402 HydrophobicContact CD1-SD 4.27Å; L299-M402 HydrophobicContact CD2-SD 4.21Å; L299-M402 HydrophobicContact CG-SD 4.48Å; R300-M402 CarbonylContact O-C 3.6Å; R300-M402 VanDerWaalsContact O-CA 3.28Å; R300-M402 WeakPolarHBondContact O-CA 3.5Å; R301-M402 HydrophobicContact CG-CB 4.39Å; R301-M402 HydrophobicContact CG-CG 4.25Å; T359-M402 PolarHBondContact N-O 3.03Å; T359-M402 PolarHBondContact OG1-O 3.16Å; T359-M402 VanDerWaalsContact OG1-O 3.07Å
403T79Confident77Confident34 Ų3437.2 Ų37.221%0.20918%0.18CC..EExtended strand (participates in β ladder)trans-112.3131.6166.666.60000109.4R300 K358R300-T403 WeakPolarHBondContact CB-OG1 3.46Å; R300-T403 PolarHBondContact N-O 3.47Å; R300-T403 PolarHBondContact O-N 3.13Å; K358-T403 HydrophobicContact CG-CG2 4.06Å
404T80.3Confident78.9Confident19 Ų1936.8 Ų36.812%0.11718%0.177CC..EExtended strand (participates in β ladder)trans-108.4123.9177.2-58.90000109I297 L299 T357 V406I297-T404 HydrophobicContact CG2-CG2 3.82Å; L299-T404 HydrophobicContact CD2-CG2 3.77Å; L299-T404 WeakPolarHBondContact CD2-OG1 3.44Å; T357-T404 PolarHBondContact N-O 2.89Å; T357-T404 PolarHBondContact O-N 2.86Å; T404-V406 HydrophobicContact CG2-CG2 3.93Å
405K75.7Confident80.5Confident83 Ų8334.8 Ų34.836%0.36117%0.167SC..EExtended strand (participates in β ladder)trans-108.2121.5170.1-56.1-159-175.2-157.60108.7T298 E356T298-K405 PolarHBondContact N-O 2.73Å; T298-K405 PolarHBondContact O-N 3.38Å; E356-K405 HydrophobicContact CG-CD 4.24Å; E356-K405 HydrophobicContact CG-CG 4.11Å; E356-K405 WeakPolarHBondContact OE1-CD 3.48Å; E356-K405 WeakPolarHBondContact OE1-CE 3.46Å; E356-K405 IonicContact OE1-NZ 2.73Å; E356-K405 PolarHBondContact OE1-NZ 3.38Å
406V77.1Confident81.9Confident28 Ų2834 Ų3417%0.1716%0.163CC..EExtended strand (participates in β ladder)trans-109.1121.8176.2-175.40000108.9Q295 I297 A354 S355 T404Q295-V406 HydrophobicContact CB-CG1 4.3Å; Q295-V406 HydrophobicContact CG-CG1 4.06Å; I297-V406 HydrophobicContact CG1-CG1 4.43Å; I297-V406 HydrophobicContact CG1-CG2 4.36Å; A354-V406 WeakPolarHBondContact CA-O 3.16Å; S355-V406 PolarHBondContact N-O 2.96Å; S355-V406 VanDerWaalsContact N-O 3.17Å; S355-V406 PolarHBondContact O-N 3.44Å; T404-V406 HydrophobicContact CG2-CG2 3.93Å
407K69.8Low82.6Confident62 Ų6240.4 Ų40.427%0.2719%0.187SC..EExtended strand (participates in β ladder)trans-110.4120.7171-68.7-173.8175.9-173.70109.1Q295 I296 A354Q295-K407 CarbonylContact C-O 3.47Å; Q295-K407 WeakPolarHBondContact CA-O 3.17Å; I296-K407 PolarHBondContact N-O 2.81Å; I296-K407 PolarHBondContact O-N 3.11Å; A354-K407 HydrophobicContact CB-CG 4.18Å
408T74.9Confident83.2Confident65 Ų6547.3 Ų47.340%0.39922%0.223SC..EExtended strand (participates in β ladder)trans-105.3132.2176.8-510000109.9V294 Q295V294-T408 CarbonylContact O-C 3.59Å; V294-T408 WeakPolarHBondContact O-CA 3.48Å; Q295-T408 HydrophobicContact CG-CG2 4.03Å; Q295-T408 WeakPolarHBondContact CG-OG1 2.95Å; Q295-T408 PolarHBondContact NE2-OG1 3.28Å
409F74.6Confident83.8Confident26 Ų2647 Ų4711%0.11422%0.222CC..EExtended strand (participates in β ladder)trans-137.7166.4178.354.4-84.2000111.8L256 V294 I296 I462 P463L256-F409 HydrophobicContact CD1-CZ 3.92Å; V294-F409 HydrophobicContact CB-CD1 4.49Å; V294-F409 HydrophobicContact CB-CD2 3.75Å; V294-F409 HydrophobicContact CB-CE1 4.21Å; V294-F409 HydrophobicContact CB-CE2 3.46Å; V294-F409 VanDerWaalsContact CB-CE2 3.46Å; V294-F409 HydrophobicContact CB-CG 4.27Å; V294-F409 HydrophobicContact CB-CZ 3.74Å; V294-F409 HydrophobicContact CG1-CD2 4.06Å; V294-F409 HydrophobicContact CG1-CE1 3.93Å; V294-F409 HydrophobicContact CG1-CE2 3.23Å; V294-F409 HydrophobicContact CG1-CZ 3.17Å; V294-F409 HydrophobicContact CG2-CD2 4.44Å; V294-F409 HydrophobicContact CG2-CE2 4.24Å; V294-F409 PolarHBondContact N-O 3.09Å; V294-F409 VanDerWaalsContact N-O 3.12Å; V294-F409 VanDerWaalsContact O-CD1 3.25Å; V294-F409 WeakPolarHBondContact O-CD1 3.17Å; V294-F409 WeakPolarHBondContact O-CE1 3.18Å; V294-F409 PolarHBondContact O-N 3.45Å; I296-F409 HydrophobicContact CB-CE1 4.14Å; I296-F409 HydrophobicContact CD1-CD1 4.39Å; I296-F409 HydrophobicContact CD1-CE1 3.38Å; I296-F409 HydrophobicContact CD1-CZ 3.68Å; I296-F409 HydrophobicContact CG1-CE1 3.51Å; I296-F409 HydrophobicContact CG1-CZ 3.9Å; F409-I462 HydrophobicContact CD2-CG2 3.64Å; F409-I462 HydrophobicContact CE2-CB 4.48Å; F409-I462 HydrophobicContact CE2-CG2 3.32Å; F409-I462 HydrophobicContact CZ-CG2 4.03Å; F409-P463 HydrophobicContact CB-CG 4.27Å
410K80.8Confident84.2Confident135 Ų13550.5 Ų50.559%0.58725%0.245SC*.EExtended strand (participates in β ladder)trans-110.2117172.8-65.9-174.5175-176.50108.6A291 P463A291-K410 CarbonylContact O-C 3.59Å; A291-K410 VanDerWaalsContact O-CA 3.26Å; A291-K410 WeakPolarHBondContact O-CA 3.09Å; K410-P463 WeakPolarHBondContact O-CD 3.4Å; K410-P463 WeakPolarHBondContact O-CG 3.11Å
411A84.5Confident84.5Confident0 Ų049.4 Ų49.40%024%0.24CC..EExtended strand (participates in β ladder)trans-94.4157.6175.100000110.9C290 A291 V294 L413 E461 I462C290-A411 WeakPolarHBondContact CA-O 3.36Å; A291-A411 HydrophobicContact CB-CB 4.25Å; A291-A411 PolarHBondContact N-O 3.43Å; A291-A411 PolarHBondContact O-N 2.91Å; V294-A411 HydrophobicContact CG2-CB 4.36Å; A411-L413 HydrophobicContact CB-CD1 4.47Å; A411-E461 CarbonylContact C-O 3.55Å; A411-E461 WeakPolarHBondContact CA-O 3.3Å; A411-I462 HydrophobicContact CB-CG1 3.99Å
412R88.7Confident84.9Confident108 Ų10849.3 Ų49.341%0.40824%0.241SC..EExtended strand (participates in β ladder)trans-117.2133.7174.5-69.3-176.9-83.8-160.4-2.9109.7Y289 W414 E461Y289-R412 CarbonylContact O-C 3.46Å; Y289-R412 WeakPolarHBondContact O-CA 3.31Å; R412-W414 HydrophobicContact CB-CH2 3.68Å; R412-W414 HydrophobicContact CB-CZ3 3.64Å; R412-W414 WeakPolarHBondContact O-CZ3 3.28Å; R412-E461 HydrophobicContact CB-CB 4.41Å; R412-E461 IonicContact CZ-OE1 3.47Å; R412-E461 PolarHBondContact N-O 2.88Å; R412-E461 IonicContact NE-OE1 3.93Å; R412-E461 IonicContact NE-OE2 2.73Å; R412-E461 IonicContact NH2-OE1 3.13Å; R412-E461 PolarHBondContact NH2-OE1 3.05Å; R412-E461 IonicContact NH2-OE2 3.65Å; R412-E461 PolarHBondContact O-N 3.34Å
413L91.8Very high85.2Confident0 Ų049.2 Ų49.20%024%0.241CC..EExtended strand (participates in β ladder)trans-126.1135.5-179.4-64.287.1000109.7F263 V288 Y289 A291 A411 I415 F447 L452F263-L413 HydrophobicContact CD1-CD1 4.48Å; F263-L413 HydrophobicContact CE1-CD1 4.08Å; F263-L413 HydrophobicContact CE1-CD2 4.21Å; V288-L413 CarbonylContact C-O 3.48Å; V288-L413 WeakPolarHBondContact CA-O 3.49Å; Y289-L413 PolarHBondContact N-O 2.87Å; Y289-L413 PolarHBondContact O-N 3.36Å; A291-L413 HydrophobicContact CB-CD1 3.61Å; A411-L413 HydrophobicContact CB-CD1 4.47Å; L413-I415 HydrophobicContact CB-CD1 4.4Å; L413-I415 HydrophobicContact CB-CG1 4.19Å; L413-F447 HydrophobicContact CD2-CE1 4.18Å; L413-F447 HydrophobicContact CD2-CZ 4.01Å; L413-F447 HydrophobicContact CG-CZ 4.44Å; L413-L452 HydrophobicContact CD2-CD2 3.76Å
414W94.5Very high85.7Confident10 Ų1055 Ų554%0.03826%0.263CS..EExtended strand (participates in β ladder)trans-107.7108.3172-68.9-107.5000108E279 I281 C286 V288 R412 P457 L458 K459 E461E279-W414 PolarHBondContact OE2-NE1 2.95Å; I281-W414 HydrophobicContact CD1-CB 3.51Å; I281-W414 HydrophobicContact CD1-CD2 3.96Å; I281-W414 HydrophobicContact CD1-CG 3.32Å; I281-W414 HydrophobicContact CG1-CG 4.45Å; C286-W414 HydrophobicContact CB-CB 3.87Å; V288-W414 HydrophobicContact CG1-CZ2 4.49Å; V288-W414 HydrophobicContact CG2-CG 4.44Å; R412-W414 HydrophobicContact CB-CH2 3.68Å; R412-W414 HydrophobicContact CB-CZ3 3.64Å; R412-W414 WeakPolarHBondContact O-CZ3 3.28Å; W414-P457 CarbonylContact O-C 3.59Å; W414-L458 PolarHBondContact O-N 3.48Å; W414-K459 HydrophobicContact CB-CB 4.04Å; W414-K459 HydrophobicContact CD2-CB 4.11Å; W414-K459 HydrophobicContact CD2-CD 4.1Å; W414-K459 HydrophobicContact CD2-CG 4.28Å; W414-K459 HydrophobicContact CE3-CB 3.78Å; W414-K459 HydrophobicContact CE3-CD 3.87Å; W414-K459 HydrophobicContact CE3-CG 3.69Å; W414-K459 HydrophobicContact CG-CB 4.25Å; W414-K459 HydrophobicContact CH2-CD 4.39Å; W414-K459 HydrophobicContact CZ3-CD 4.03Å; W414-K459 HydrophobicContact CZ3-CG 4.01Å; W414-K459 PolarHBondContact N-O 3.29Å; W414-K459 PolarHBondContact O-N 3.44Å; W414-E461 HydrophobicContact CH2-CB 4.05Å; W414-E461 VanDerWaalsContact CH2-OE2 3.3Å; W414-E461 WeakPolarHBondContact CH2-OE2 3.37Å; W414-E461 HydrophobicContact CZ3-CB 3.69Å
415I93.5Very high86.2Confident3 Ų358.3 Ų58.32%0.01528%0.28CS..EExtended strand (participates in β ladder)trans-107.1118.3-173.2-59.1-179.4000108.7C286 Q287 Y289 L413 P453 F456C286-I415 WeakPolarHBondContact CA-O 3.49Å; Q287-I415 PolarHBondContact N-O 3.01Å; Q287-I415 PolarHBondContact O-N 3.18Å; Y289-I415 HydrophobicContact CD2-CB 4.17Å; Y289-I415 HydrophobicContact CD2-CD1 3.76Å; Y289-I415 HydrophobicContact CD2-CG1 4.05Å; Y289-I415 HydrophobicContact CE2-CB 4.16Å; Y289-I415 HydrophobicContact CE2-CD1 4.1Å; Y289-I415 HydrophobicContact CE2-CG1 4.45Å; Y289-I415 HydrophobicContact CG-CD1 4.26Å; L413-I415 HydrophobicContact CB-CD1 4.4Å; L413-I415 HydrophobicContact CB-CG1 4.19Å; I415-P453 HydrophobicContact CD1-CB 3.54Å; I415-P453 HydrophobicContact CD1-CG 3.52Å; I415-F456 WeakPolarHBondContact CA-O 3.33Å
416C94.2Very high87Confident3 Ų354.8 Ų54.82%0.0227%0.266CS..EExtended strand (participates in β ladder)trans-91.8123.6171.4-171.60000108.7Y419 G455 F456C416-Y419 HydrophobicContact CB-CD2 4.5Å; C416-G455 WeakPolarHBondContact O-CA 3.35Å; C416-F456 PolarHBondContact N-O 3.21Å; C416-F456 PolarHBondContact O-N 3.43Å
417R90.4Very high87.8Confident133 Ų13353.5 Ų53.550%0.50226%0.258SS..THydrogen-bonded Turntrans-74.6-40.8-178.4-67.6-176.7-179.9-165.9-6.4112.4Q287Q287-R417 VanDerWaalsContact NE2-CZ 3.34Å
418D88.6Confident88.8Confident148 Ų14852 Ų5279%0.79125%0.252SS*.THydrogen-bonded Turntrans-108.549.5-172.3-53.7-47.9000110.3
419Y92.2Very high89.6Confident20 Ų2049.1 Ų49.18%0.07824%0.235CC..  trans-85.9131.3176.2-162.2-113.2000109.9H284 C416 L421 F456 L458 L477H284-Y419 AromaticContact CD2-CE2 3.85Å; H284-Y419 AromaticContact NE2-CE2 3.76Å; C416-Y419 HydrophobicContact CB-CD2 4.5Å; Y419-L421 HydrophobicContact CD1-CB 3.82Å; Y419-L421 HydrophobicContact CE1-CB 3.74Å; Y419-L421 HydrophobicContact CE1-CD1 3.92Å; Y419-L421 HydrophobicContact CE1-CG 4.13Å; Y419-L421 PolarHBondContact O-N 2.87Å; Y419-L421 VanDerWaalsContact O-N 3.16Å; Y419-F456 VanDerWaalsContact CB-CB 3.49Å; Y419-F456 HydrophobicContact CD1-CB 3.81Å; Y419-F456 AromaticContact CD1-CD1 3.43Å; Y419-F456 HydrophobicContact CD1-CD1 3.43Å; Y419-F456 VanDerWaalsContact CD1-CD1 3.43Å; Y419-F456 AromaticContact CD1-CD2 3.63Å; Y419-F456 HydrophobicContact CD1-CD2 3.63Å; Y419-F456 AromaticContact CD1-CE1 3.84Å; Y419-F456 HydrophobicContact CD1-CE1 3.84Å; Y419-F456 HydrophobicContact CD1-CE2 4.01Å; Y419-F456 AromaticContact CD1-CG 3.32Å; Y419-F456 HydrophobicContact CD1-CG 3.32Å; Y419-F456 HydrophobicContact CD1-CZ 4.11Å; Y419-F456 AromaticContact CE1-CD1 3.69Å; Y419-F456 HydrophobicContact CE1-CD1 3.69Å; Y419-F456 HydrophobicContact CE1-CD2 4.19Å; Y419-F456 AromaticContact CE1-CE1 3.61Å; Y419-F456 HydrophobicContact CE1-CE1 3.61Å; Y419-F456 HydrophobicContact CE1-CE2 4.11Å; Y419-F456 AromaticContact CE1-CG 4Å; Y419-F456 HydrophobicContact CE1-CG 4Å; Y419-F456 AromaticContact CE1-CZ 3.83Å; Y419-F456 HydrophobicContact CE1-CZ 3.83Å; Y419-F456 HydrophobicContact CG-CB 3.92Å; Y419-F456 AromaticContact CG-CD1 3.98Å; Y419-F456 HydrophobicContact CG-CD1 3.98Å; Y419-F456 AromaticContact CG-CG 3.91Å; Y419-F456 HydrophobicContact CG-CG 3.91Å; Y419-L458 HydrophobicContact CD2-CD1 4.03Å; Y419-L458 HydrophobicContact CE1-CD1 4.32Å; Y419-L458 HydrophobicContact CE2-CD1 3.46Å; Y419-L458 VanDerWaalsContact CE2-CD1 3.46Å; Y419-L477 HydrophobicContact CE1-CD2 4.37Å; Y419-L477 HydrophobicContact CE2-CD2 4.35Å
420P88.1Confident90.4Very high84 Ų8448 Ų4855%0.54523%0.23SC..SBendtrans-71.6-6.5-173.129.4-39000114.9L477P420-L477 HydrophobicContact CB-CD2 4.46Å; P420-L477 HydrophobicContact CG-CD2 3.33Å
421L89.9Confident90.8Very high8 Ų841.6 Ų41.64%0.04220%0.202CC..SBendtrans-101.6140172.5-72.8175.7000112.3F123 I125 Y419 Q426 I427 F456 L477F123-L421 HydrophobicContact CB-CD2 4.05Å; F123-L421 HydrophobicContact CD1-CD2 4.05Å; F123-L421 HydrophobicContact CD2-CD1 4.19Å; F123-L421 HydrophobicContact CD2-CD2 4Å; F123-L421 HydrophobicContact CE1-CD2 4.47Å; F123-L421 HydrophobicContact CE2-CD1 4.43Å; F123-L421 HydrophobicContact CE2-CD2 4.41Å; F123-L421 HydrophobicContact CG-CD2 3.78Å; I125-L421 HydrophobicContact CB-CD1 4.48Å; I125-L421 HydrophobicContact CD1-CD1 3.45Å; I125-L421 VanDerWaalsContact CD1-CD1 3.45Å; Y419-L421 HydrophobicContact CD1-CB 3.82Å; Y419-L421 HydrophobicContact CE1-CB 3.74Å; Y419-L421 HydrophobicContact CE1-CD1 3.92Å; Y419-L421 HydrophobicContact CE1-CG 4.13Å; Y419-L421 PolarHBondContact O-N 2.87Å; Y419-L421 VanDerWaalsContact O-N 3.16Å; L421-Q426 VanDerWaalsContact CD2-NE2 3.33Å; L421-I427 HydrophobicContact CD1-CD1 4.33Å; L421-F456 HydrophobicContact CB-CE2 4.28Å; L421-F456 WeakPolarHBondContact O-CD2 3.35Å; L421-L477 HydrophobicContact CD1-CD1 3.28Å; L421-L477 HydrophobicContact CD1-CD2 4.27Å; L421-L477 HydrophobicContact CD1-CG 4.39Å; L421-L477 HydrophobicContact CD2-CD1 4.17Å; L421-L477 HydrophobicContact CG-CD1 3.67Å; L421-L477 HydrophobicContact CG-CD2 4.09Å
422S91Very high91Very high37 Ų3743.1 Ų43.126%0.25921%0.21SC..  trans-81.7122.1170.3179.30000110.6K424 D425 Q426 I427S422-K424 VanDerWaalsContact C-N 3.31Å; S422-K424 PolarHBondContact O-N 3.35Å; S422-K424 PolarHBondContact OG-N 3.08Å; S422-D425 PolarHBondContact OG-N 3.06Å; S422-D425 VanDerWaalsContact OG-N 3.13Å; S422-D425 PolarHBondContact OG-OD2 2.93Å; S422-Q426 WeakPolarHBondContact O-CB 3.27Å; S422-Q426 PolarHBondContact O-N 3.34Å; S422-I427 PolarHBondContact O-N 3.47Å
423L89.8Confident90.9Very high27 Ų2738.1 Ų38.114%0.14119%0.191CC..Iπ-helixtrans-57.7-47.6171.2178.865.7000110.7I427 I428 L448 L452 F456 P457L423-I427 HydrophobicContact CD1-CB 4.17Å; L423-I427 HydrophobicContact CD1-CG2 4.09Å; L423-I427 PolarHBondContact O-N 2.8Å; L423-I428 HydrophobicContact CG-CD1 4.38Å; L423-I428 HydrophobicContact CG-CG1 4.35Å; L423-I428 WeakPolarHBondContact O-CG1 3.11Å; L423-I428 PolarHBondContact O-N 2.78Å; L423-L448 HydrophobicContact CD1-CD1 4.12Å; L423-L448 HydrophobicContact CD1-CD2 4.49Å; L423-L452 HydrophobicContact CD2-CD1 3.9Å; L423-F456 HydrophobicContact CB-CD2 3.98Å; L423-F456 HydrophobicContact CB-CE2 4.2Å; L423-F456 HydrophobicContact CD1-CE2 4.3Å; L423-P457 HydrophobicContact CD1-CG 4.2Å; L423-P457 HydrophobicContact CD2-CG 4.08Å
424K89.8Confident90.4Very high155 Ų15538.1 Ų38.167%0.67419%0.192SC*.Iπ-helixtrans-75.2-41.6-171.1-173.5-177.3177-174.10113.3S422 P429S422-K424 VanDerWaalsContact C-N 3.31Å; S422-K424 PolarHBondContact O-N 3.35Å; S422-K424 PolarHBondContact OG-N 3.08Å; K424-P429 WeakPolarHBondContact O-CD 3.33Å
425D91.4Very high89.6Confident89 Ų8937.7 Ų37.748%0.47619%0.19SC..Iπ-helixtrans-92.5-24.5-170.2-49.1-53.6000112.3T120 S422 P429T120-D425 HydrophobicContact CG2-CB 4.34Å; T120-D425 WeakPolarHBondContact CG2-O 3.23Å; S422-D425 PolarHBondContact OG-N 3.06Å; S422-D425 VanDerWaalsContact OG-N 3.13Å; S422-D425 PolarHBondContact OG-OD2 2.93Å; D425-P429 WeakPolarHBondContact O-CG 3.34Å
426Q92.4Very high88.5Confident10 Ų1041.2 Ų41.25%0.04721%0.206CC..Iπ-helixtrans-114.2-46.9-175.4-65.1173.8-76.800113T120 F123 L421 S422 I430T120-Q426 HydrophobicContact CG2-CG 3.77Å; F123-Q426 HydrophobicContact CE1-CB 3.76Å; F123-Q426 HydrophobicContact CE1-CG 4.03Å; F123-Q426 HydrophobicContact CZ-CB 3.87Å; L421-Q426 VanDerWaalsContact CD2-NE2 3.33Å; S422-Q426 WeakPolarHBondContact O-CB 3.27Å; S422-Q426 PolarHBondContact O-N 3.34Å; Q426-I430 VanDerWaalsContact O-CD1 3.27Å; Q426-I430 WeakPolarHBondContact O-CD1 3.16Å; Q426-I430 WeakPolarHBondContact O-CG1 3.11Å
427I92.1Very high87.2Confident1 Ų142.6 Ų42.61%0.00521%0.212CC..Iπ-helixtrans-85.4-47.5-172.7-61-55.7000112.8F123 I125 L421 S422 L423 P429 I430 I431 F456 F474F123-I427 HydrophobicContact CE2-CD1 4.05Å; F123-I427 HydrophobicContact CZ-CD1 4.26Å; I125-I427 HydrophobicContact CD1-CD1 4.37Å; I125-I427 HydrophobicContact CG2-CD1 4.33Å; L421-I427 HydrophobicContact CD1-CD1 4.33Å; S422-I427 PolarHBondContact O-N 3.47Å; L423-I427 HydrophobicContact CD1-CB 4.17Å; L423-I427 HydrophobicContact CD1-CG2 4.09Å; L423-I427 PolarHBondContact O-N 2.8Å; I427-P429 VanDerWaalsContact C-N 3.34Å; I427-I430 WeakPolarHBondContact O-CB 3.33Å; I427-I430 PolarHBondContact O-N 3.26Å; I427-I430 VanDerWaalsContact O-N 3.1Å; I427-I431 HydrophobicContact CG2-CD1 3.59Å; I427-I431 HydrophobicContact CG2-CG1 4.13Å; I427-I431 WeakPolarHBondContact O-CG1 3.45Å; I427-I431 PolarHBondContact O-N 3.22Å; I427-F456 HydrophobicContact CG1-CE2 3.73Å; I427-F456 HydrophobicContact CG1-CZ 3.95Å; I427-F474 HydrophobicContact CG2-CE1 4.01Å; I427-F474 HydrophobicContact CG2-CZ 4.48Å
428I91.6Very high86.1Confident29 Ų2936.7 Ų36.715%0.14919%0.19CC..Hα-helixtrans-55.5-44178.3-71.4178.8000111.8L423 I430 I431 D432 T449L423-I428 HydrophobicContact CG-CD1 4.38Å; L423-I428 HydrophobicContact CG-CG1 4.35Å; L423-I428 WeakPolarHBondContact O-CG1 3.11Å; L423-I428 PolarHBondContact O-N 2.78Å; I428-I430 VanDerWaalsContact C-N 3.31Å; I428-I430 PolarHBondContact O-N 2.82Å; I428-I431 CarbonylContact O-C 3.53Å; I428-I431 PolarHBondContact O-N 3.45Å; I428-I431 VanDerWaalsContact O-N 3.17Å; I428-D432 WeakPolarHBondContact O-CB 3.43Å; I428-D432 PolarHBondContact O-N 3.06Å; I428-T449 HydrophobicContact CD1-CG2 4.37Å; I428-T449 HydrophobicContact CG2-CG2 4.41Å
429P92.2Very high85Confident6 Ų630.6 Ų30.64%0.03916%0.158CC..Hα-helixtrans-61-36.1176.7-29.138.6000114.2L113 L117 K424 D425 I427 D432 L433L113-P429 HydrophobicContact CD2-CB 3.97Å; L117-P429 HydrophobicContact CD1-CB 4.29Å; L117-P429 HydrophobicContact CD2-CB 3.97Å; L117-P429 HydrophobicContact CG-CB 3.99Å; K424-P429 WeakPolarHBondContact O-CD 3.33Å; D425-P429 WeakPolarHBondContact O-CG 3.34Å; I427-P429 VanDerWaalsContact C-N 3.34Å; P429-D432 PolarHBondContact O-N 3.27Å; P429-L433 WeakPolarHBondContact O-CG 3.46Å; P429-L433 PolarHBondContact O-N 3.34Å
430I91.7Very high83.8Confident1 Ų131.2 Ų31.21%0.00516%0.161CC..Hα-helixtrans-68.7-42.9175.7-69.8170000110.4L117 F123 V149 V156 I158 Q426 I427 I428 D432 L433 M434L117-I430 HydrophobicContact CD1-CG1 4.09Å; L117-I430 HydrophobicContact CD2-CD1 4.49Å; L117-I430 HydrophobicContact CD2-CG1 4.16Å; F123-I430 HydrophobicContact CE1-CD1 4.32Å; F123-I430 HydrophobicContact CE2-CD1 3.92Å; F123-I430 HydrophobicContact CZ-CD1 3.36Å; V149-I430 HydrophobicContact CG1-CD1 3.86Å; V149-I430 HydrophobicContact CG1-CG2 3.99Å; V149-I430 HydrophobicContact CG2-CG2 4.43Å; V156-I430 HydrophobicContact CG1-CG1 4.44Å; I158-I430 HydrophobicContact CD1-CG2 3.81Å; Q426-I430 VanDerWaalsContact O-CD1 3.27Å; Q426-I430 WeakPolarHBondContact O-CD1 3.16Å; Q426-I430 WeakPolarHBondContact O-CG1 3.11Å; I427-I430 WeakPolarHBondContact O-CB 3.33Å; I427-I430 PolarHBondContact O-N 3.26Å; I427-I430 VanDerWaalsContact O-N 3.1Å; I428-I430 VanDerWaalsContact C-N 3.31Å; I428-I430 PolarHBondContact O-N 2.82Å; I430-D432 VanDerWaalsContact C-N 3.29Å; I430-D432 PolarHBondContact O-N 3.37Å; I430-L433 WeakPolarHBondContact O-CB 3.3Å; I430-L433 PolarHBondContact O-N 2.78Å; I430-M434 PolarHBondContact O-N 3.28Å; I430-M434 VanDerWaalsContact O-N 3.12Å
431I88.4Confident83Confident1 Ų127.2 Ų27.21%0.00514%0.135CC..Hα-helixtrans-62.6-40.9175.8-65.6173.4000110.2M127 I427 I428 M434 S435 F441 L444 K445 L448M127-I431 HydrophobicContact CE-CD1 4.49Å; M127-I431 HydrophobicContact CE-CG1 4.4Å; I427-I431 HydrophobicContact CG2-CD1 3.59Å; I427-I431 HydrophobicContact CG2-CG1 4.13Å; I427-I431 WeakPolarHBondContact O-CG1 3.45Å; I427-I431 PolarHBondContact O-N 3.22Å; I428-I431 CarbonylContact O-C 3.53Å; I428-I431 PolarHBondContact O-N 3.45Å; I428-I431 VanDerWaalsContact O-N 3.17Å; I431-M434 CarbonylContact O-C 3.6Å; I431-M434 PolarHBondContact O-N 3.23Å; I431-S435 WeakPolarHBondContact O-CA 3.42Å; I431-S435 VanDerWaalsContact O-CB 3.25Å; I431-S435 WeakPolarHBondContact O-CB 3.42Å; I431-S435 PolarHBondContact O-N 2.93Å; I431-F441 HydrophobicContact CB-CD1 4.2Å; I431-F441 HydrophobicContact CG1-CD1 3.96Å; I431-F441 HydrophobicContact CG1-CE1 4.24Å; I431-F441 HydrophobicContact CG2-CB 4.48Å; I431-F441 HydrophobicContact CG2-CD1 4.17Å; I431-F441 WeakPolarHBondContact CG2-O 3.25Å; I431-L444 HydrophobicContact CD1-CD2 3.49Å; I431-L444 VanDerWaalsContact CD1-CD2 3.49Å; I431-L444 HydrophobicContact CD1-CG 3.95Å; I431-L444 HydrophobicContact CG1-CD2 4.09Å; I431-L444 HydrophobicContact CG2-CB 4.33Å; I431-K445 HydrophobicContact CG2-CB 3.73Å; I431-L448 HydrophobicContact CD1-CD1 3.38Å
432D88.1Confident82Confident32 Ų3229.8 Ų29.817%0.17115%0.146CC..Hα-helixtrans-62.5-43.6176.5-77.6-31.1000111.8L113 I428 P429 I430 M434 S435 K445L113-D432 HydrophobicContact CD1-CB 3.58Å; L113-D432 HydrophobicContact CD2-CB 4.24Å; I428-D432 WeakPolarHBondContact O-CB 3.43Å; I428-D432 PolarHBondContact O-N 3.06Å; P429-D432 PolarHBondContact O-N 3.27Å; I430-D432 VanDerWaalsContact C-N 3.29Å; I430-D432 PolarHBondContact O-N 3.37Å; D432-M434 VanDerWaalsContact C-N 3.27Å; D432-M434 PolarHBondContact O-N 3.47Å; D432-S435 PolarHBondContact O-N 3.33Å; D432-S435 PolarHBondContact O-OG 3.08Å; D432-K445 WeakPolarHBondContact OD1-CD 3.47Å; D432-K445 WeakPolarHBondContact OD1-CE 3.3Å; D432-K445 IonicContact OD1-NZ 3.34Å; D432-K445 PolarHBondContact OD1-NZ 2.9Å
433L87Confident81Confident3 Ų331.7 Ų31.72%0.01615%0.15CC..Hα-helixtrans-57.1-40.7174.5-74.3172.2000112V110 L113 L114 L117 V156 F180 P429 I430 Y437V110-L433 HydrophobicContact CB-CD2 4.25Å; V110-L433 HydrophobicContact CG1-CD2 3.95Å; V110-L433 HydrophobicContact CG2-CD2 4.08Å; L113-L433 HydrophobicContact CB-CD2 4.01Å; L113-L433 HydrophobicContact CB-CG 4.18Å; L113-L433 HydrophobicContact CD1-CD2 3.86Å; L113-L433 HydrophobicContact CD1-CG 3.91Å; L114-L433 HydrophobicContact CD2-CD1 3.85Å; L114-L433 HydrophobicContact CD2-CD2 4.41Å; L117-L433 HydrophobicContact CD1-CD1 3.8Å; V156-L433 HydrophobicContact CG2-CD1 4.27Å; F180-L433 HydrophobicContact CD1-CD2 4.03Å; F180-L433 HydrophobicContact CD2-CD1 4.48Å; F180-L433 HydrophobicContact CE1-CB 4.22Å; F180-L433 HydrophobicContact CE1-CD2 4.17Å; F180-L433 HydrophobicContact CE2-CB 4.29Å; F180-L433 HydrophobicContact CG-CD1 4.35Å; F180-L433 HydrophobicContact CZ-CB 4.05Å; P429-L433 WeakPolarHBondContact O-CG 3.46Å; P429-L433 PolarHBondContact O-N 3.34Å; I430-L433 WeakPolarHBondContact O-CB 3.3Å; I430-L433 PolarHBondContact O-N 2.78Å; L433-Y437 WeakPolarHBondContact O-CD2 3.4Å
434M82.2Confident80.2Confident1 Ų130.9 Ų30.91%0.00515%0.146CC..Hα-helixtrans-86-18.7-178.9-73-56.8-63.400114.8I158 Y178 F180 I430 I431 D432 E436 Y437 N438 F441I158-M434 HydrophobicContact CB-SD 4.29Å; I158-M434 HydrophobicContact CD1-CG 3.21Å; I158-M434 HydrophobicContact CD1-SD 3.56Å; I158-M434 VanDerWaalsContact CD1-SD 3.56Å; I158-M434 HydrophobicContact CG1-CG 4.47Å; I158-M434 HydrophobicContact CG1-SD 4.49Å; I158-M434 HydrophobicContact CG2-CE 4.37Å; I158-M434 HydrophobicContact CG2-CG 4.41Å; I158-M434 HydrophobicContact CG2-SD 4.3Å; Y178-M434 HydrophobicContact CD1-CE 4.47Å; Y178-M434 HydrophobicContact CD2-CE 3.45Å; Y178-M434 VanDerWaalsContact CD2-CE 3.45Å; Y178-M434 HydrophobicContact CD2-SD 4.11Å; Y178-M434 HydrophobicContact CE2-CE 3.65Å; Y178-M434 HydrophobicContact CG-CE 3.87Å; Y178-M434 HydrophobicContact CG-SD 3.99Å; F180-M434 HydrophobicContact CE2-SD 3.89Å; F180-M434 HydrophobicContact CZ-SD 4.13Å; I430-M434 PolarHBondContact O-N 3.28Å; I430-M434 VanDerWaalsContact O-N 3.12Å; I431-M434 CarbonylContact O-C 3.6Å; I431-M434 PolarHBondContact O-N 3.23Å; D432-M434 VanDerWaalsContact C-N 3.27Å; D432-M434 PolarHBondContact O-N 3.47Å; M434-E436 PolarHBondContact O-N 2.81Å; M434-Y437 PolarHBondContact O-N 3.25Å; M434-N438 HydrophobicContact CE-CB 4.09Å; M434-N438 PolarHBondContact O-N 3.41Å; M434-F441 HydrophobicContact CB-CB 3.75Å; M434-F441 HydrophobicContact CB-CD1 3.67Å; M434-F441 HydrophobicContact CB-CD2 3.72Å; M434-F441 HydrophobicContact CB-CE1 4.11Å; M434-F441 HydrophobicContact CB-CE2 4.16Å; M434-F441 HydrophobicContact CB-CG 3.43Å; M434-F441 VanDerWaalsContact CB-CG 3.43Å; M434-F441 HydrophobicContact CB-CZ 4.33Å; M434-F441 HydrophobicContact CE-CD2 4.39Å; M434-F441 HydrophobicContact CE-CE2 4.31Å; M434-F441 HydrophobicContact CG-CD1 4.33Å; M434-F441 HydrophobicContact CG-CD2 4.32Å; M434-F441 HydrophobicContact CG-CE1 4.28Å; M434-F441 HydrophobicContact CG-CE2 4.27Å; M434-F441 HydrophobicContact CG-CG 4.33Å; M434-F441 HydrophobicContact CG-CZ 4.24Å
435S76.6Confident79.6Confident1 Ų126.6 Ų26.61%0.00713%0.127CC..THydrogen-bonded Turntrans-61.9-20.1-171.3640000114.3I431 D432 H442I431-S435 WeakPolarHBondContact O-CA 3.42Å; I431-S435 VanDerWaalsContact O-CB 3.25Å; I431-S435 WeakPolarHBondContact O-CB 3.42Å; I431-S435 PolarHBondContact O-N 2.93Å; D432-S435 PolarHBondContact O-N 3.33Å; D432-S435 PolarHBondContact O-OG 3.08Å; S435-H442 WeakPolarHBondContact O-CB 3.26Å
436E70.5Confident78.6Confident76 Ų7625.7 Ų25.736%0.35512%0.12SC..THydrogen-bonded Turntrans-93.9-14.7178-64.4-65.3174.300113.7M434 L573M434-E436 PolarHBondContact O-N 2.81Å; E436-L573 VanDerWaalsContact O-CD1 3.29Å; E436-L573 WeakPolarHBondContact O-CD1 3.33Å
437Y67.8Low77.6Confident33 Ų3326.2 Ų26.213%0.12912%0.122CC..THydrogen-bonded Turntrans-110.3-15.2-178.2-56.8-76.7000112.4Q106 F180 M189 L433 M434 Y570Q106-Y437 PolarHBondContact NE2-OH 2.87Å; Q106-Y437 VanDerWaalsContact NE2-OH 3.11Å; F180-Y437 HydrophobicContact CE1-CE2 4.16Å; F180-Y437 HydrophobicContact CZ-CD2 4.31Å; F180-Y437 HydrophobicContact CZ-CE2 4.21Å; M189-Y437 HydrophobicContact CE-CD1 3.8Å; M189-Y437 HydrophobicContact CE-CE1 3.38Å; M189-Y437 HydrophobicContact CE-CE2 4.24Å; M189-Y437 HydrophobicContact CE-CG 4.38Å; M189-Y437 HydrophobicContact SD-CD1 4.07Å; M189-Y437 HydrophobicContact SD-CD2 3.78Å; M189-Y437 HydrophobicContact SD-CE1 3.73Å; M189-Y437 HydrophobicContact SD-CE2 3.41Å; M189-Y437 WeakPolarHBondContact SD-CE2 3.41Å; M189-Y437 HydrophobicContact SD-CG 4.1Å; L433-Y437 WeakPolarHBondContact O-CD2 3.4Å; M434-Y437 PolarHBondContact O-N 3.25Å; Y437-Y570 HydrophobicContact CE1-CE1 4.29Å
438N67.2Low76.8Confident9 Ų926.5 Ų26.55%0.04812%0.124CC..  trans-140.4119.3-176.9-174.2-44.9000111.2M434 Y440 F441 H442M434-N438 HydrophobicContact CE-CB 4.09Å; M434-N438 PolarHBondContact O-N 3.41Å; N438-Y440 PolarHBondContact O-N 2.73Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.15Å; N438-Y440 VanDerWaalsContact OD1-CB 3.23Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.34Å; N438-Y440 WeakPolarHBondContact OD1-CD2 3.2Å; N438-Y440 PolarHBondContact OD1-N 2.88Å; N438-F441 HydrophobicContact CB-CB 4.41Å; N438-F441 HydrophobicContact CB-CD2 3.79Å; N438-F441 PolarHBondContact O-N 3.27Å; N438-F441 VanDerWaalsContact O-N 3.15Å; N438-H442 PolarHBondContact O-N 3.3Å
439P64.3Low75.9Confident19 Ų1928.8 Ų28.812%0.12314%0.139CC..Hα-helixtrans-63.9-25.3-177.225.7-34.3000113.4H442 K443 L573P439-H442 PolarHBondContact O-N 2.77Å; P439-K443 PolarHBondContact O-N 3.49Å; P439-L573 HydrophobicContact CB-CD2 4.29Å
440Y66.9Low74.8Confident33 Ų3332 Ų3213%0.12915%0.152CC..Hα-helixtrans-68.8-42.8176.2-51.9-63.5000111.3L162 W171 N438 H442 K443 L444 V580L162-Y440 HydrophobicContact CD2-CE2 3.8Å; W171-Y440 WeakPolarHBondContact CZ3-OH 3.41Å; N438-Y440 PolarHBondContact O-N 2.73Å; N438-Y440 WeakPolarHBondContact OD1-CA 3.15Å; N438-Y440 VanDerWaalsContact OD1-CB 3.23Å; N438-Y440 WeakPolarHBondContact OD1-CB 3.34Å; N438-Y440 WeakPolarHBondContact OD1-CD2 3.2Å; N438-Y440 PolarHBondContact OD1-N 2.88Å; Y440-H442 VanDerWaalsContact C-N 3.33Å; Y440-H442 PolarHBondContact O-N 2.62Å; Y440-K443 PolarHBondContact O-N 2.7Å; Y440-L444 WeakPolarHBondContact O-CB 3.49Å; Y440-L444 PolarHBondContact O-N 3.19Å; Y440-V580 HydrophobicContact CE1-CG1 4.08Å
441F71.7Confident73.8Confident0 Ų040.7 Ų40.70%019%0.193CC..Hα-helixtrans-66.3-35.6175.7-80.9-87.1000111.9M127 C147 I431 M434 N438 L444 K445M127-F441 HydrophobicContact CE-CD1 4.44Å; M127-F441 HydrophobicContact CE-CE1 3.7Å; M127-F441 HydrophobicContact CE-CZ 4.26Å; M127-F441 HydrophobicContact SD-CE1 3.94Å; M127-F441 HydrophobicContact SD-CZ 4.31Å; C147-F441 HydrophobicContact CB-CZ 4.24Å; I431-F441 HydrophobicContact CB-CD1 4.2Å; I431-F441 HydrophobicContact CG1-CD1 3.96Å; I431-F441 HydrophobicContact CG1-CE1 4.24Å; I431-F441 HydrophobicContact CG2-CB 4.48Å; I431-F441 HydrophobicContact CG2-CD1 4.17Å; I431-F441 WeakPolarHBondContact CG2-O 3.25Å; M434-F441 HydrophobicContact CB-CB 3.75Å; M434-F441 HydrophobicContact CB-CD1 3.67Å; M434-F441 HydrophobicContact CB-CD2 3.72Å; M434-F441 HydrophobicContact CB-CE1 4.11Å; M434-F441 HydrophobicContact CB-CE2 4.16Å; M434-F441 HydrophobicContact CB-CG 3.43Å; M434-F441 VanDerWaalsContact CB-CG 3.43Å; M434-F441 HydrophobicContact CB-CZ 4.33Å; M434-F441 HydrophobicContact CE-CD2 4.39Å; M434-F441 HydrophobicContact CE-CE2 4.31Å; M434-F441 HydrophobicContact CG-CD1 4.33Å; M434-F441 HydrophobicContact CG-CD2 4.32Å; M434-F441 HydrophobicContact CG-CE1 4.28Å; M434-F441 HydrophobicContact CG-CE2 4.27Å; M434-F441 HydrophobicContact CG-CG 4.33Å; M434-F441 HydrophobicContact CG-CZ 4.24Å; N438-F441 HydrophobicContact CB-CB 4.41Å; N438-F441 HydrophobicContact CB-CD2 3.79Å; N438-F441 PolarHBondContact O-N 3.27Å; N438-F441 VanDerWaalsContact O-N 3.15Å; F441-L444 WeakPolarHBondContact O-CB 3.33Å; F441-L444 PolarHBondContact O-N 3.3Å; F441-K445 WeakPolarHBondContact O-CB 3.32Å; F441-K445 PolarHBondContact O-N 3Å
442H70.2Confident73.4Confident63 Ų6342.5 Ų42.529%0.29220%0.203SC..Hα-helixtrans-57.8-51.4173.1-168.883.8000112.3S435 N438 P439 Y440 L444 K445 E446S435-H442 WeakPolarHBondContact O-CB 3.26Å; N438-H442 PolarHBondContact O-N 3.3Å; P439-H442 PolarHBondContact O-N 2.77Å; Y440-H442 VanDerWaalsContact C-N 3.33Å; Y440-H442 PolarHBondContact O-N 2.62Å; H442-L444 VanDerWaalsContact C-N 3.29Å; H442-L444 PolarHBondContact O-N 3.42Å; H442-K445 VanDerWaalsContact O-CB 3.3Å; H442-K445 WeakPolarHBondContact O-CB 3.39Å; H442-K445 PolarHBondContact O-N 3.39Å; H442-E446 IonicContact NE2-OE1 2.79Å; H442-E446 PolarHBondContact O-N 2.76Å
443K69Low73.1Confident77 Ų7742.1 Ų42.134%0.33520%0.202SC..Hα-helixtrans-64.7-35.5177.9-69.9-174.4179.6-173.50112.8P439 Y440 K445 E446 F447 E577P439-K443 PolarHBondContact O-N 3.49Å; Y440-K443 PolarHBondContact O-N 2.7Å; K443-K445 VanDerWaalsContact C-N 3.34Å; K443-E446 PolarHBondContact O-N 2.85Å; K443-F447 PolarHBondContact O-N 2.74Å; K443-F447 VanDerWaalsContact O-N 3.11Å; K443-E577 WeakPolarHBondContact CE-OE1 3.45Å; K443-E577 IonicContact NZ-OE1 2.79Å; K443-E577 PolarHBondContact NZ-OE1 3.34Å
444L72.6Confident73.1Confident9 Ų946.5 Ų46.55%0.04723%0.232CC..Hα-helixtrans-62.2-44.5175.6-163.354.1000112M127 W129 I431 Y440 F441 H442 E446 F447 L448 V472M127-L444 HydrophobicContact CE-CD2 3.41Å; M127-L444 VanDerWaalsContact CE-CD2 3.41Å; W129-L444 HydrophobicContact CH2-CB 3.76Å; W129-L444 HydrophobicContact CH2-CD1 3.94Å; W129-L444 HydrophobicContact CH2-CD2 3.54Å; W129-L444 HydrophobicContact CH2-CG 3.89Å; W129-L444 HydrophobicContact CZ2-CB 4.42Å; W129-L444 HydrophobicContact CZ2-CD2 3.6Å; W129-L444 HydrophobicContact CZ2-CG 4.43Å; I431-L444 HydrophobicContact CD1-CD2 3.49Å; I431-L444 VanDerWaalsContact CD1-CD2 3.49Å; I431-L444 HydrophobicContact CD1-CG 3.95Å; I431-L444 HydrophobicContact CG1-CD2 4.09Å; I431-L444 HydrophobicContact CG2-CB 4.33Å; Y440-L444 WeakPolarHBondContact O-CB 3.49Å; Y440-L444 PolarHBondContact O-N 3.19Å; F441-L444 WeakPolarHBondContact O-CB 3.33Å; F441-L444 PolarHBondContact O-N 3.3Å; H442-L444 VanDerWaalsContact C-N 3.29Å; H442-L444 PolarHBondContact O-N 3.42Å; L444-E446 VanDerWaalsContact C-N 3.31Å; L444-E446 PolarHBondContact O-N 3.36Å; L444-F447 PolarHBondContact O-N 3.02Å; L444-F447 VanDerWaalsContact O-N 3.14Å; L444-L448 HydrophobicContact CD1-CD1 3.79Å; L444-L448 HydrophobicContact CD1-CG 3.93Å; L444-L448 HydrophobicContact CD2-CD1 3.96Å; L444-L448 HydrophobicContact CG-CD1 3.56Å; L444-L448 HydrophobicContact CG-CG 4.04Å; L444-L448 WeakPolarHBondContact O-CB 3.45Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 2.87Å; L444-V472 HydrophobicContact CD1-CG1 4.3Å; L444-V472 HydrophobicContact CD1-CG2 4.48Å
445K77.4Confident73.4Confident65 Ų6548 Ų4828%0.28325%0.249SC..Hα-helixtrans-55.1-49.9176178.1-176.3172.5150.40110.3I431 D432 F441 H442 K443 F447 L448 T449I431-K445 HydrophobicContact CG2-CB 3.73Å; D432-K445 WeakPolarHBondContact OD1-CD 3.47Å; D432-K445 WeakPolarHBondContact OD1-CE 3.3Å; D432-K445 IonicContact OD1-NZ 3.34Å; D432-K445 PolarHBondContact OD1-NZ 2.9Å; F441-K445 WeakPolarHBondContact O-CB 3.32Å; F441-K445 PolarHBondContact O-N 3Å; H442-K445 VanDerWaalsContact O-CB 3.3Å; H442-K445 WeakPolarHBondContact O-CB 3.39Å; H442-K445 PolarHBondContact O-N 3.39Å; K443-K445 VanDerWaalsContact C-N 3.34Å; K445-F447 PolarHBondContact O-N 2.89Å; K445-L448 PolarHBondContact O-N 3.47Å; K445-T449 HydrophobicContact CG-CG2 4.04Å; K445-T449 VanDerWaalsContact O-CB 3.31Å; K445-T449 WeakPolarHBondContact O-CB 3.34Å; K445-T449 VanDerWaalsContact O-CG2 3.23Å; K445-T449 WeakPolarHBondContact O-CG2 3.36Å; K445-T449 PolarHBondContact O-N 2.82Å; K445-T449 PolarHBondContact O-OG1 3.22Å
446E71.3Confident74.2Confident71 Ų7148.2 Ų48.233%0.33225%0.25SC..Hα-helixtrans-58.6-37178.3-65.9-166.3145.900112.6H442 K443 L444 K450H442-E446 IonicContact NE2-OE1 2.79Å; H442-E446 PolarHBondContact O-N 2.76Å; K443-E446 PolarHBondContact O-N 2.85Å; L444-E446 VanDerWaalsContact C-N 3.31Å; L444-E446 PolarHBondContact O-N 3.36Å; E446-K450 WeakPolarHBondContact O-CG 3.34Å
447F71.2Confident75.3Confident21 Ų2144.7 Ų44.79%0.09223%0.233CC..Hα-helixtrans-74.2-47.1178.5-176.7-96.5000112.7L256 L413 K443 L444 K445 L452 V460 I462L256-F447 HydrophobicContact CD2-CD2 3.96Å; L413-F447 HydrophobicContact CD2-CE1 4.18Å; L413-F447 HydrophobicContact CD2-CZ 4.01Å; L413-F447 HydrophobicContact CG-CZ 4.44Å; K443-F447 PolarHBondContact O-N 2.74Å; K443-F447 VanDerWaalsContact O-N 3.11Å; L444-F447 PolarHBondContact O-N 3.02Å; L444-F447 VanDerWaalsContact O-N 3.14Å; K445-F447 PolarHBondContact O-N 2.89Å; F447-L452 HydrophobicContact CE1-CD2 4.17Å; F447-L452 HydrophobicContact CZ-CD2 4.45Å; F447-V460 HydrophobicContact CD1-CG1 4.33Å; F447-V460 HydrophobicContact CE1-CB 4.37Å; F447-V460 HydrophobicContact CE1-CG1 3.54Å; F447-V460 HydrophobicContact CE1-CG2 3.91Å; F447-V460 HydrophobicContact CZ-CG1 3.65Å; F447-I462 HydrophobicContact CD2-CD1 4.36Å; F447-I462 HydrophobicContact CE2-CD1 4.29Å
448L75.2Confident76.5Confident6 Ų643.2 Ų43.23%0.03123%0.227CC..Hα-helixtrans-80.3-23.6-172.4-66.8179.1000114.3L423 I431 L444 K445 K450 L452 P457 F474L423-L448 HydrophobicContact CD1-CD1 4.12Å; L423-L448 HydrophobicContact CD1-CD2 4.49Å; I431-L448 HydrophobicContact CD1-CD1 3.38Å; L444-L448 HydrophobicContact CD1-CD1 3.79Å; L444-L448 HydrophobicContact CD1-CG 3.93Å; L444-L448 HydrophobicContact CD2-CD1 3.96Å; L444-L448 HydrophobicContact CG-CD1 3.56Å; L444-L448 HydrophobicContact CG-CG 4.04Å; L444-L448 WeakPolarHBondContact O-CB 3.45Å; L444-L448 WeakPolarHBondContact O-CG 3.44Å; L444-L448 PolarHBondContact O-N 2.87Å; K445-L448 PolarHBondContact O-N 3.47Å; L448-K450 VanDerWaalsContact C-N 3.27Å; L448-L452 HydrophobicContact CD2-CD1 3.82Å; L448-P457 HydrophobicContact CD2-CG 3.76Å; L448-F474 HydrophobicContact CD1-CZ 4.45Å
449T71.4Confident77.7Confident77 Ų7745.1 Ų45.147%0.47224%0.235SC..THydrogen-bonded Turntrans-77.7-13.4177.9530000113.1I428 K445I428-T449 HydrophobicContact CD1-CG2 4.37Å; I428-T449 HydrophobicContact CG2-CG2 4.41Å; K445-T449 HydrophobicContact CG-CG2 4.04Å; K445-T449 VanDerWaalsContact O-CB 3.31Å; K445-T449 WeakPolarHBondContact O-CB 3.34Å; K445-T449 VanDerWaalsContact O-CG2 3.23Å; K445-T449 WeakPolarHBondContact O-CG2 3.36Å; K445-T449 PolarHBondContact O-N 2.82Å; K445-T449 PolarHBondContact O-OG1 3.22Å
450K70.6Confident78.9Confident74 Ų7444.4 Ų44.432%0.32223%0.231SC..SBendtrans-89.3169.2178.5-65.9-169.5175-156.90111.6L256 T258 E446 L448 L452L256-K450 PolarHBondContact O-NZ 3.46Å; T258-K450 HydrophobicContact CG2-CB 4.29Å; T258-K450 HydrophobicContact CG2-CD 3.1Å; T258-K450 HydrophobicContact CG2-CG 4.3Å; T258-K450 WeakPolarHBondContact OG1-CD 3.47Å; T258-K450 PolarHBondContact OG1-NZ 3.16Å; E446-K450 WeakPolarHBondContact O-CG 3.34Å; L448-K450 VanDerWaalsContact C-N 3.27Å; K450-L452 PolarHBondContact O-N 3.07Å
451Q69.4Low79.8Confident183 Ų18344 Ų4486%0.85523%0.23SC*.  trans-58.5103.2-171.7-68.9-175.19.100111.8F263F263-Q451 WeakPolarHBondContact CE2-O 3.16Å; F263-Q451 WeakPolarHBondContact CZ-O 3.47Å
452L80Confident80Confident40 Ų4045.6 Ų45.621%0.20924%0.238CC..PPolyproline II helixtrans-98.3151.9169.6-67.1176.8000110.3F263 L413 L423 F447 L448 K450 P457F263-L452 HydrophobicContact CZ-CD2 4.35Å; L413-L452 HydrophobicContact CD2-CD2 3.76Å; L423-L452 HydrophobicContact CD2-CD1 3.9Å; F447-L452 HydrophobicContact CE1-CD2 4.17Å; F447-L452 HydrophobicContact CZ-CD2 4.45Å; L448-L452 HydrophobicContact CD2-CD1 3.82Å; K450-L452 PolarHBondContact O-N 3.07Å; L452-P457 HydrophobicContact CD1-CG 4.08Å
453P82.9Confident79.9Confident23 Ų2344.4 Ų44.415%0.14924%0.236CC..PPolyproline II helixtrans-58153.6167.5-17.528.8000111.2F263 Y289 I415 G455F263-P453 HydrophobicContact CB-CG 3.97Å; F263-P453 HydrophobicContact CD1-CG 3.64Å; F263-P453 HydrophobicContact CD2-CG 4.26Å; F263-P453 HydrophobicContact CE1-CG 4.15Å; F263-P453 HydrophobicContact CG-CG 3.69Å; Y289-P453 HydrophobicContact CD1-CG 4.23Å; Y289-P453 HydrophobicContact CE1-CB 4.28Å; Y289-P453 HydrophobicContact CE1-CG 4.4Å; Y289-P453 HydrophobicContact CG-CG 4.49Å; I415-P453 HydrophobicContact CD1-CB 3.54Å; I415-P453 HydrophobicContact CD1-CG 3.52Å; P453-G455 PolarHBondContact O-N 3.16Å
454S86.9Confident79.6Confident95 Ų9543 Ų4366%0.66423%0.232SC*.SBendtrans-59.9125.7-178.760.90000112.4
455G89.1Confident79Confident34 Ų3444.4 Ų44.435%0.35124%0.237SC..SBendtrans131.4-177.9178.200000111.3C416 P453C416-G455 WeakPolarHBondContact O-CA 3.35Å; P453-G455 PolarHBondContact O-N 3.16Å
456F93.1Very high78Confident5 Ų547.4 Ų47.42%0.02225%0.252CS..EExtended strand (participates in β ladder)trans-94.6126.6178-170-85.9000110.8I415 C416 Y419 L421 L423 I427 L458 F474I415-F456 WeakPolarHBondContact CA-O 3.33Å; C416-F456 PolarHBondContact N-O 3.21Å; C416-F456 PolarHBondContact O-N 3.43Å; Y419-F456 VanDerWaalsContact CB-CB 3.49Å; Y419-F456 HydrophobicContact CD1-CB 3.81Å; Y419-F456 AromaticContact CD1-CD1 3.43Å; Y419-F456 HydrophobicContact CD1-CD1 3.43Å; Y419-F456 VanDerWaalsContact CD1-CD1 3.43Å; Y419-F456 AromaticContact CD1-CD2 3.63Å; Y419-F456 HydrophobicContact CD1-CD2 3.63Å; Y419-F456 AromaticContact CD1-CE1 3.84Å; Y419-F456 HydrophobicContact CD1-CE1 3.84Å; Y419-F456 HydrophobicContact CD1-CE2 4.01Å; Y419-F456 AromaticContact CD1-CG 3.32Å; Y419-F456 HydrophobicContact CD1-CG 3.32Å; Y419-F456 HydrophobicContact CD1-CZ 4.11Å; Y419-F456 AromaticContact CE1-CD1 3.69Å; Y419-F456 HydrophobicContact CE1-CD1 3.69Å; Y419-F456 HydrophobicContact CE1-CD2 4.19Å; Y419-F456 AromaticContact CE1-CE1 3.61Å; Y419-F456 HydrophobicContact CE1-CE1 3.61Å; Y419-F456 HydrophobicContact CE1-CE2 4.11Å; Y419-F456 AromaticContact CE1-CG 4Å; Y419-F456 HydrophobicContact CE1-CG 4Å; Y419-F456 AromaticContact CE1-CZ 3.83Å; Y419-F456 HydrophobicContact CE1-CZ 3.83Å; Y419-F456 HydrophobicContact CG-CB 3.92Å; Y419-F456 AromaticContact CG-CD1 3.98Å; Y419-F456 HydrophobicContact CG-CD1 3.98Å; Y419-F456 AromaticContact CG-CG 3.91Å; Y419-F456 HydrophobicContact CG-CG 3.91Å; L421-F456 HydrophobicContact CB-CE2 4.28Å; L421-F456 WeakPolarHBondContact O-CD2 3.35Å; L423-F456 HydrophobicContact CB-CD2 3.98Å; L423-F456 HydrophobicContact CB-CE2 4.2Å; L423-F456 HydrophobicContact CD1-CE2 4.3Å; I427-F456 HydrophobicContact CG1-CE2 3.73Å; I427-F456 HydrophobicContact CG1-CZ 3.95Å; F456-L458 HydrophobicContact CD1-CB 4.5Å; F456-L458 HydrophobicContact CD1-CD1 4.24Å; F456-L458 HydrophobicContact CE1-CD1 4.28Å; F456-L458 PolarHBondContact O-N 2.99Å; F456-F474 HydrophobicContact CE1-CB 3.9Å; F456-F474 HydrophobicContact CE1-CD1 4.23Å; F456-F474 HydrophobicContact CE1-CD2 4.01Å; F456-F474 AromaticContact CE1-CG 3.8Å; F456-F474 HydrophobicContact CE1-CG 3.8Å; F456-F474 HydrophobicContact CZ-CB 4.47Å; F456-F474 HydrophobicContact CZ-CD1 4.07Å; F456-F474 HydrophobicContact CZ-CE1 4.41Å; F456-F474 HydrophobicContact CZ-CG 4.12Å
457P92.3Very high77.4Confident2 Ų244.1 Ų44.11%0.01324%0.237CC..EExtended strand (participates in β ladder)trans-77.290.417831.8-33.8000110.2W414 L423 L448 L452 K459 V460 F474W414-P457 CarbonylContact O-C 3.59Å; L423-P457 HydrophobicContact CD1-CG 4.2Å; L423-P457 HydrophobicContact CD2-CG 4.08Å; L448-P457 HydrophobicContact CD2-CG 3.76Å; L452-P457 HydrophobicContact CD1-CG 4.08Å; P457-K459 VanDerWaalsContact C-N 3.33Å; P457-K459 PolarHBondContact O-N 3.05Å; P457-V460 HydrophobicContact CB-CG2 4.15Å; P457-F474 WeakPolarHBondContact O-CD2 3.28Å; P457-F474 VanDerWaalsContact O-CE2 3.26Å; P457-F474 WeakPolarHBondContact O-CE2 3.36Å
458L93.7Very high77.1Confident1 Ų143.3 Ų43.31%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-73.3-25.9-175.7-162.967.5000112.8I281 H284 W414 Y419 F456 S473 F474I281-L458 HydrophobicContact CB-CD2 3.89Å; I281-L458 HydrophobicContact CG2-CD2 3.82Å; I281-L458 HydrophobicContact CG2-CG 4.09Å; I281-L458 WeakPolarHBondContact O-CD2 3.21Å; H284-L458 HydrophobicContact CB-CD2 3.82Å; W414-L458 PolarHBondContact O-N 3.48Å; Y419-L458 HydrophobicContact CD2-CD1 4.03Å; Y419-L458 HydrophobicContact CE1-CD1 4.32Å; Y419-L458 HydrophobicContact CE2-CD1 3.46Å; Y419-L458 VanDerWaalsContact CE2-CD1 3.46Å; F456-L458 HydrophobicContact CD1-CB 4.5Å; F456-L458 HydrophobicContact CD1-CD1 4.24Å; F456-L458 HydrophobicContact CE1-CD1 4.28Å; F456-L458 PolarHBondContact O-N 2.99Å; L458-S473 WeakPolarHBondContact O-CA 3.28Å; L458-F474 HydrophobicContact CD1-CB 4.02Å; L458-F474 VanDerWaalsContact CD1-O 3.32Å; L458-F474 WeakPolarHBondContact CD1-O 3.45Å; L458-F474 PolarHBondContact O-N 3.22Å
459K92.8Very high77Confident50 Ų5045 Ų4522%0.21724%0.242CC..EExtended strand (participates in β ladder)trans-146.8141.4171.5-177.6-179.5-180-177.60110.2I281 W414 P457 C471 V472I281-K459 HydrophobicContact CD1-CB 3.58Å; I281-K459 HydrophobicContact CD1-CD 3.72Å; I281-K459 HydrophobicContact CD1-CG 4.3Å; W414-K459 HydrophobicContact CB-CB 4.04Å; W414-K459 HydrophobicContact CD2-CB 4.11Å; W414-K459 HydrophobicContact CD2-CD 4.1Å; W414-K459 HydrophobicContact CD2-CG 4.28Å; W414-K459 HydrophobicContact CE3-CB 3.78Å; W414-K459 HydrophobicContact CE3-CD 3.87Å; W414-K459 HydrophobicContact CE3-CG 3.69Å; W414-K459 HydrophobicContact CG-CB 4.25Å; W414-K459 HydrophobicContact CH2-CD 4.39Å; W414-K459 HydrophobicContact CZ3-CD 4.03Å; W414-K459 HydrophobicContact CZ3-CG 4.01Å; W414-K459 PolarHBondContact N-O 3.29Å; W414-K459 PolarHBondContact O-N 3.44Å; P457-K459 VanDerWaalsContact C-N 3.33Å; P457-K459 PolarHBondContact O-N 3.05Å; K459-C471 WeakPolarHBondContact CE-SG 3.23Å; K459-V472 CarbonylContact C-O 3.59Å; K459-V472 WeakPolarHBondContact CA-O 3.49Å
460V88.7Confident77.2Confident4 Ų442.2 Ų42.22%0.02423%0.227CC..EExtended strand (participates in β ladder)trans-131.7125.1175.5-178.50000108F447 P457 I462 C471 V472F447-V460 HydrophobicContact CD1-CG1 4.33Å; F447-V460 HydrophobicContact CE1-CB 4.37Å; F447-V460 HydrophobicContact CE1-CG1 3.54Å; F447-V460 HydrophobicContact CE1-CG2 3.91Å; F447-V460 HydrophobicContact CZ-CG1 3.65Å; P457-V460 HydrophobicContact CB-CG2 4.15Å; V460-I462 HydrophobicContact CG1-CD1 4.27Å; V460-I462 HydrophobicContact CG1-CG1 4.11Å; V460-C471 CarbonylContact O-C 3.51Å; V460-C471 VanDerWaalsContact O-CA 3.3Å; V460-C471 WeakPolarHBondContact O-CA 3.11Å; V460-V472 PolarHBondContact N-O 2.91Å; V460-V472 PolarHBondContact O-N 2.91Å
461E86.3Confident77.9Confident24 Ų2438.9 Ų38.911%0.11221%0.213CC..EExtended strand (participates in β ladder)trans-122.6122.1177.9-173-168.3137.800109.6A411 R412 W414 N469 A470A411-E461 CarbonylContact C-O 3.55Å; A411-E461 WeakPolarHBondContact CA-O 3.3Å; R412-E461 HydrophobicContact CB-CB 4.41Å; R412-E461 IonicContact CZ-OE1 3.47Å; R412-E461 PolarHBondContact N-O 2.88Å; R412-E461 IonicContact NE-OE1 3.93Å; R412-E461 IonicContact NE-OE2 2.73Å; R412-E461 IonicContact NH2-OE1 3.13Å; R412-E461 PolarHBondContact NH2-OE1 3.05Å; R412-E461 IonicContact NH2-OE2 3.65Å; R412-E461 PolarHBondContact O-N 3.34Å; W414-E461 HydrophobicContact CH2-CB 4.05Å; W414-E461 VanDerWaalsContact CH2-OE2 3.3Å; W414-E461 WeakPolarHBondContact CH2-OE2 3.37Å; W414-E461 HydrophobicContact CZ3-CB 3.69Å; E461-N469 HydrophobicContact CG-CB 4.31Å; E461-A470 CarbonylContact C-O 3.5Å; E461-A470 WeakPolarHBondContact CA-O 3.23Å
462I76.9Confident78.8Confident33 Ų3330.8 Ų30.817%0.16918%0.176CC..EExtended strand (participates in β ladder)trans-120.6114.9-177.7-61.6173.6000108.7F409 A411 F447 V460 L464 N469 A470F409-I462 HydrophobicContact CD2-CG2 3.64Å; F409-I462 HydrophobicContact CE2-CB 4.48Å; F409-I462 HydrophobicContact CE2-CG2 3.32Å; F409-I462 HydrophobicContact CZ-CG2 4.03Å; A411-I462 HydrophobicContact CB-CG1 3.99Å; F447-I462 HydrophobicContact CD2-CD1 4.36Å; F447-I462 HydrophobicContact CE2-CD1 4.29Å; V460-I462 HydrophobicContact CG1-CD1 4.27Å; V460-I462 HydrophobicContact CG1-CG1 4.11Å; I462-L464 HydrophobicContact CG2-CD2 4.03Å; I462-L464 PolarHBondContact O-N 2.74Å; I462-N469 CarbonylContact O-C 3.55Å; I462-N469 WeakPolarHBondContact O-CA 3.37Å; I462-A470 PolarHBondContact N-O 3.41Å; I462-A470 PolarHBondContact O-N 2.91Å
463P67Low79.3Confident38 Ų3829.8 Ų29.825%0.24717%0.172CC..EExtended strand (participates in β ladder)trans-70.4115.5169.627.7-29.5000109.1F409 K410 N469F409-P463 HydrophobicContact CB-CG 4.27Å; K410-P463 WeakPolarHBondContact O-CD 3.4Å; K410-P463 WeakPolarHBondContact O-CG 3.11Å; P463-N469 WeakPolarHBondContact CA-OD1 3.33Å; P463-N469 WeakPolarHBondContact CB-OD1 3.47Å
464L62.3Low79.8Confident49 Ų4928.7 Ų28.726%0.25717%0.165SC..EExtended strand (participates in β ladder)trans-85.7-37.2178-63.8-178.8000111.4F131 I462 L468 A470F131-L464 HydrophobicContact CD1-CD1 3.95Å; F131-L464 HydrophobicContact CE1-CD1 3.62Å; I462-L464 HydrophobicContact CG2-CD2 4.03Å; I462-L464 PolarHBondContact O-N 2.74Å; L464-L468 HydrophobicContact CB-CD2 4.39Å; L464-L468 HydrophobicContact CD1-CD2 4.05Å; L464-L468 PolarHBondContact N-O 3.32Å; L464-A470 HydrophobicContact CD1-CB 3.78Å; L464-A470 HydrophobicContact CD2-CB 4.37Å; L464-A470 HydrophobicContact CG-CB 3.97Å
465Y60Low80.1Confident38 Ų3824.7 Ų24.715%0.14914%0.139CC..EExtended strand (participates in β ladder)trans-144.3167.1-179.5-60.4-82.9000109.7L350 T352 V467 L468L350-Y465 HydrophobicContact CB-CD1 4.31Å; L350-Y465 HydrophobicContact CD2-CD1 3.93Å; L350-Y465 HydrophobicContact CD2-CD2 4.47Å; L350-Y465 HydrophobicContact CD2-CE1 4.21Å; L350-Y465 HydrophobicContact CD2-CG 4.05Å; L350-Y465 WeakPolarHBondContact O-CD1 3.27Å; T352-Y465 HydrophobicContact CG2-CD1 4.46Å; Y465-V467 PolarHBondContact O-N 3.16Å; Y465-L468 HydrophobicContact CD2-CB 4.07Å; Y465-L468 HydrophobicContact CD2-CD2 3.92Å; Y465-L468 HydrophobicContact CE2-CD2 4.34Å; Y465-L468 PolarHBondContact N-O 3.15Å; Y465-L468 VanDerWaalsContact N-O 3.09Å; Y465-L468 PolarHBondContact O-N 3.07Å; Y465-L468 VanDerWaalsContact O-N 3.14Å
466H56.8Low80.2Confident127 Ų12723.3 Ų23.359%0.58812%0.123SC*.THydrogen-bonded Turntrans-54.3-25173.1-74.2-66.5000113.2W134 Q351W134-H466 VanDerWaalsContact CD1-O 3.32Å; W134-H466 PolarHBondContact NE1-O 3.1Å; W134-H466 VanDerWaalsContact NE1-O 3.11Å; Q351-H466 PolarHBondContact O-CD2 3.39Å; Q351-H466 VanDerWaalsContact O-CD2 3.28Å; Q351-H466 PolarHBondContact O-NE2 2.65Å
467V58.5Low80.3Confident3 Ų323.4 Ų23.42%0.01812%0.124CC..THydrogen-bonded Turntrans-105.1-10.2-178.6-60.50000115S133 W134 L135 L349 L350 Y465S133-V467 WeakPolarHBondContact CA-O 3.48Å; S133-V467 VanDerWaalsContact CB-O 3.25Å; S133-V467 WeakPolarHBondContact CB-O 3.36Å; S133-V467 PolarHBondContact OG-O 3.17Å; S133-V467 VanDerWaalsContact OG-O 3.11Å; W134-V467 HydrophobicContact CZ2-CG1 3.96Å; W134-V467 PolarHBondContact N-O 3.15Å; L135-V467 HydrophobicContact CD1-CB 3.93Å; L135-V467 HydrophobicContact CD1-CG1 3.59Å; L135-V467 HydrophobicContact CG-CG1 4.37Å; L349-V467 HydrophobicContact CD2-CG1 3.57Å; L349-V467 HydrophobicContact CG-CG1 3.87Å; L350-V467 HydrophobicContact CD2-CG2 4.47Å; Y465-V467 PolarHBondContact O-N 3.16Å
468L66Low80.3Confident4 Ų424.4 Ų24.42%0.02113%0.129CC..EExtended strand (participates in β ladder)trans-138.2129.5-166.4-170.775.6000112.1F131 T132 L464 Y465 V584 L588F131-L468 HydrophobicContact CB-CD1 4.22Å; F131-L468 HydrophobicContact CD1-CD2 4.2Å; T132-L468 CarbonylContact O-C 3.55Å; T132-L468 WeakPolarHBondContact O-CA 3.46Å; L464-L468 HydrophobicContact CB-CD2 4.39Å; L464-L468 HydrophobicContact CD1-CD2 4.05Å; L464-L468 PolarHBondContact N-O 3.32Å; Y465-L468 HydrophobicContact CD2-CB 4.07Å; Y465-L468 HydrophobicContact CD2-CD2 3.92Å; Y465-L468 HydrophobicContact CE2-CD2 4.34Å; Y465-L468 PolarHBondContact N-O 3.15Å; Y465-L468 VanDerWaalsContact N-O 3.09Å; Y465-L468 PolarHBondContact O-N 3.07Å; Y465-L468 VanDerWaalsContact O-N 3.14Å; L468-V584 HydrophobicContact CD2-CG1 3.75Å; L468-L588 HydrophobicContact CD2-CD1 4.29Å
469N71.7Confident80.1Confident41 Ų4125.1 Ų25.122%0.21914%0.136CC..EExtended strand (participates in β ladder)trans-115137171-51.7-50.1000110F131 T132 E461 I462 P463F131-N469 CarbonylContact C-O 3.58Å; F131-N469 VanDerWaalsContact CA-O 3.27Å; F131-N469 WeakPolarHBondContact CA-O 3.34Å; T132-N469 PolarHBondContact N-O 3.31Å; T132-N469 PolarHBondContact O-N 3.48Å; E461-N469 HydrophobicContact CG-CB 4.31Å; I462-N469 CarbonylContact O-C 3.55Å; I462-N469 WeakPolarHBondContact O-CA 3.37Å; P463-N469 WeakPolarHBondContact CA-OD1 3.33Å; P463-N469 WeakPolarHBondContact CB-OD1 3.47Å
470A77.4Confident79.9Confident18 Ų1826.7 Ų26.715%0.14914%0.144CC..EExtended strand (participates in β ladder)trans-92.4135.7162.300000109.1F131 E461 I462 L464F131-A470 HydrophobicContact CD1-CB 4.12Å; F131-A470 HydrophobicContact CE1-CB 3.97Å; E461-A470 CarbonylContact C-O 3.5Å; E461-A470 WeakPolarHBondContact CA-O 3.23Å; I462-A470 PolarHBondContact N-O 3.41Å; I462-A470 PolarHBondContact O-N 2.91Å; L464-A470 HydrophobicContact CD1-CB 3.78Å; L464-A470 HydrophobicContact CD2-CB 4.37Å; L464-A470 HydrophobicContact CG-CB 3.97Å
471C84.6Confident79.9Confident4 Ų429.9 Ų29.93%0.02716%0.161CC..EExtended strand (participates in β ladder)trans-133.3132.9179.9174.10000109.7E130 K459 V460E130-C471 HydrophobicContact CG-CB 3.54Å; E130-C471 PolarHBondContact N-O 3.25Å; E130-C471 PolarHBondContact O-N 3.12Å; E130-C471 PolarHBondContact OE1-SG 3.41Å; K459-C471 WeakPolarHBondContact CE-SG 3.23Å; V460-C471 CarbonylContact O-C 3.51Å; V460-C471 VanDerWaalsContact O-CA 3.3Å; V460-C471 WeakPolarHBondContact O-CA 3.11Å
472V87.8Confident80.1Confident14 Ų1433.7 Ų33.79%0.08518%0.182CC..EExtended strand (participates in β ladder)trans-122.3127.6174.9-170.60000107.1K128 W129 L444 K459 V460 F474K128-V472 WeakPolarHBondContact O-CA 3.4Å; W129-V472 HydrophobicContact CD2-CG1 4.42Å; W129-V472 HydrophobicContact CD2-CG2 4.37Å; W129-V472 HydrophobicContact CE3-CB 4.48Å; W129-V472 HydrophobicContact CE3-CG1 4.31Å; W129-V472 HydrophobicContact CE3-CG2 3.51Å; W129-V472 HydrophobicContact CH2-CG1 4.04Å; W129-V472 HydrophobicContact CH2-CG2 3.91Å; W129-V472 HydrophobicContact CZ2-CG1 4.23Å; W129-V472 HydrophobicContact CZ3-CB 4.33Å; W129-V472 HydrophobicContact CZ3-CG1 4.13Å; W129-V472 HydrophobicContact CZ3-CG2 3.24Å; L444-V472 HydrophobicContact CD1-CG1 4.3Å; L444-V472 HydrophobicContact CD1-CG2 4.48Å; K459-V472 CarbonylContact C-O 3.59Å; K459-V472 WeakPolarHBondContact CA-O 3.49Å; V460-V472 PolarHBondContact N-O 2.91Å; V460-V472 PolarHBondContact O-N 2.91Å; V472-F474 HydrophobicContact CG1-CE2 4.39Å
473S91Very high80.8Confident19 Ų1938.1 Ų38.113%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-135.8150.5177.858.20000111.8M127 K128 L458M127-S473 CarbonylContact C-O 3.59Å; M127-S473 WeakPolarHBondContact CA-O 3.38Å; K128-S473 PolarHBondContact N-O 3.45Å; K128-S473 PolarHBondContact O-N 3.46Å; L458-S473 WeakPolarHBondContact O-CA 3.28Å
474F92.8Very high82.1Confident0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-114.4130.1-178.1-64.4-92.4000108.7I125 E126 M127 N282 I427 L448 F456 P457 L458 V472I125-F474 HydrophobicContact CD1-CB 4.2Å; I125-F474 HydrophobicContact CD1-CD1 4.12Å; E126-F474 CarbonylContact O-C 3.54Å; E126-F474 WeakPolarHBondContact O-CA 3.27Å; M127-F474 HydrophobicContact CE-CE1 3.73Å; M127-F474 HydrophobicContact CE-CZ 4.13Å; M127-F474 HydrophobicContact CG-CD1 3.74Å; M127-F474 HydrophobicContact CG-CE1 3.73Å; M127-F474 HydrophobicContact SD-CE1 3.95Å; N282-F474 PolarHBondContact ND2-O 3.05Å; I427-F474 HydrophobicContact CG2-CE1 4.01Å; I427-F474 HydrophobicContact CG2-CZ 4.48Å; L448-F474 HydrophobicContact CD1-CZ 4.45Å; F456-F474 HydrophobicContact CE1-CB 3.9Å; F456-F474 HydrophobicContact CE1-CD1 4.23Å; F456-F474 HydrophobicContact CE1-CD2 4.01Å; F456-F474 AromaticContact CE1-CG 3.8Å; F456-F474 HydrophobicContact CE1-CG 3.8Å; F456-F474 HydrophobicContact CZ-CB 4.47Å; F456-F474 HydrophobicContact CZ-CD1 4.07Å; F456-F474 HydrophobicContact CZ-CE1 4.41Å; F456-F474 HydrophobicContact CZ-CG 4.12Å; P457-F474 WeakPolarHBondContact O-CD2 3.28Å; P457-F474 VanDerWaalsContact O-CE2 3.26Å; P457-F474 WeakPolarHBondContact O-CE2 3.36Å; L458-F474 HydrophobicContact CD1-CB 4.02Å; L458-F474 VanDerWaalsContact CD1-O 3.32Å; L458-F474 WeakPolarHBondContact CD1-O 3.45Å; L458-F474 PolarHBondContact O-N 3.22Å; V472-F474 HydrophobicContact CG1-CE2 4.39Å
475G93.2Very high83.6Confident10 Ų1042 Ų4210%0.10323%0.225CC..EExtended strand (participates in β ladder)trans-159.4-178.7-173.500000114.4E126 N282 L477E126-G475 PolarHBondContact N-O 3.18Å; E126-G475 PolarHBondContact O-N 3.36Å; N282-G475 VanDerWaalsContact ND2-CA 3.25Å; N282-G475 WeakPolarHBondContact ND2-CA 3.36Å; G475-L477 PolarHBondContact O-N 3.41Å
476N92.2Very high85.2Confident5 Ų541.2 Ų41.23%0.02723%0.229CC..  trans48.543.8-179.3-162.720.1000113.8Y124 E126 H478 G479 Q480 D481 N482 V484Y124-N476 VanDerWaalsContact CD1-O 3.25Å; Y124-N476 WeakPolarHBondContact CD1-O 3.25Å; Y124-N476 HydrophobicContact CE1-CB 4.31Å; Y124-N476 WeakPolarHBondContact CE1-O 3.49Å; E126-N476 HydrophobicContact CB-CB 4.33Å; E126-N476 HydrophobicContact CG-CB 3.89Å; E126-N476 PolarHBondContact OE1-ND2 3.21Å; N476-H478 PolarHBondContact O-N 3.19Å; N476-G479 PolarHBondContact O-N 3.26Å; N476-G479 VanDerWaalsContact O-N 3.1Å; N476-G479 VanDerWaalsContact OD1-C 3.31Å; N476-G479 VanDerWaalsContact OD1-CA 3.3Å; N476-G479 WeakPolarHBondContact OD1-CA 3.22Å; N476-Q480 PolarHBondContact OD1-N 3.34Å; N476-D481 VanDerWaalsContact CA-OD2 3.24Å; N476-D481 WeakPolarHBondContact CA-OD2 3.32Å; N476-D481 HydrophobicContact CB-CB 4.33Å; N476-D481 PolarHBondContact N-OD2 3.23Å; N476-D481 VanDerWaalsContact N-OD2 3.11Å; N476-D481 PolarHBondContact OD1-N 2.94Å; N476-N482 PolarHBondContact ND2-O 3Å; N476-N482 PolarHBondContact OD1-N 2.96Å; N476-N482 PolarHBondContact OD1-O 2.88Å; N476-V484 WeakPolarHBondContact ND2-CG2 3.45Å
477L93.5Very high87Confident8 Ų836.2 Ų36.24%0.04221%0.207CC..G310 helixtrans-61.2132.4-178.7178.960.4000110.7Y124 Y419 P420 L421 G475 G479 Q480Y124-L477 WeakPolarHBondContact O-CD1 3.14Å; Y419-L477 HydrophobicContact CE1-CD2 4.37Å; Y419-L477 HydrophobicContact CE2-CD2 4.35Å; P420-L477 HydrophobicContact CB-CD2 4.46Å; P420-L477 HydrophobicContact CG-CD2 3.33Å; L421-L477 HydrophobicContact CD1-CD1 3.28Å; L421-L477 HydrophobicContact CD1-CD2 4.27Å; L421-L477 HydrophobicContact CD1-CG 4.39Å; L421-L477 HydrophobicContact CD2-CD1 4.17Å; L421-L477 HydrophobicContact CG-CD1 3.67Å; L421-L477 HydrophobicContact CG-CD2 4.09Å; G475-L477 PolarHBondContact O-N 3.41Å; L477-G479 PolarHBondContact O-N 2.9Å; L477-Q480 WeakPolarHBondContact O-CB 3.47Å; L477-Q480 PolarHBondContact O-N 2.98Å; L477-Q480 VanDerWaalsContact O-N 3.15Å
478H93.4Very high88.8Confident23 Ų2339 Ų3911%0.10623%0.226CC..G310 helixtrans56.317.1-176.9-48145.1000114.2Y124 N476 Q480 V487 T489 C546Y124-H478 PolarHBondContact O-N 2.78Å; N476-H478 PolarHBondContact O-N 3.19Å; H478-Q480 VanDerWaalsContact C-N 3.27Å; H478-Q480 HydrophobicContact CB-CG 4.22Å; H478-Q480 PolarHBondContact O-N 3.12Å; H478-V487 WeakPolarHBondContact O-CG1 3.38Å; H478-T489 HydrophobicContact CB-CG2 3.73Å; H478-C546 HydrophobicContact CB-CB 4.23Å
479G90Very high90Very high15 Ų1541.7 Ų41.716%0.15524%0.243CC..G310 helixtrans67.626-17700000113.5N476 L477 N482N476-G479 PolarHBondContact O-N 3.26Å; N476-G479 VanDerWaalsContact O-N 3.1Å; N476-G479 VanDerWaalsContact OD1-C 3.31Å; N476-G479 VanDerWaalsContact OD1-CA 3.3Å; N476-G479 WeakPolarHBondContact OD1-CA 3.22Å; L477-G479 PolarHBondContact O-N 2.9Å; G479-N482 CarbonylContact C-O 3.54Å
480Q88.4Confident91Very high84 Ų8443.2 Ų43.239%0.39325%0.254SS..  trans-78.9-30.7-176.9-71.6-174-27.300113.8N476 L477 H478 T489 V544N476-Q480 PolarHBondContact OD1-N 3.34Å; L477-Q480 WeakPolarHBondContact O-CB 3.47Å; L477-Q480 PolarHBondContact O-N 2.98Å; L477-Q480 VanDerWaalsContact O-N 3.15Å; H478-Q480 VanDerWaalsContact C-N 3.27Å; H478-Q480 HydrophobicContact CB-CG 4.22Å; H478-Q480 PolarHBondContact O-N 3.12Å; Q480-T489 HydrophobicContact CG-CG2 4.44Å; Q480-V544 VanDerWaalsContact NE2-CG2 3.28Å
481D88.6Confident91.5Very high71 Ų7145.8 Ų45.838%0.3827%0.269SS..SBendtrans-80.6-46.9-180-61.5-39.1000110.2N476N476-D481 VanDerWaalsContact CA-OD2 3.24Å; N476-D481 WeakPolarHBondContact CA-OD2 3.32Å; N476-D481 HydrophobicContact CB-CB 4.33Å; N476-D481 PolarHBondContact N-OD2 3.23Å; N476-D481 VanDerWaalsContact N-OD2 3.11Å; N476-D481 PolarHBondContact OD1-N 2.94Å
482N90.3Very high91.4Very high103 Ų10349.8 Ų49.855%0.55129%0.289SS*.SBendtrans-130.2132.1176.4-63.2-59000109.7N476 G479 V484N476-N482 PolarHBondContact ND2-O 3Å; N476-N482 PolarHBondContact OD1-N 2.96Å; N476-N482 PolarHBondContact OD1-O 2.88Å; G479-N482 CarbonylContact C-O 3.54Å; N482-V484 WeakPolarHBondContact O-CG2 3.23Å; N482-V484 PolarHBondContact O-N 3.37Å
483S91.8Very high90.7Very high126 Ų12655 Ų5588%0.88132%0.317SS*.  trans-57.9132.2177.3-177.40000111.3
484V94.4Very high88.8Confident19 Ų1959 Ų5912%0.11535%0.345CS..  trans-122.2142.2-177.2-176.10000110.9Y124 W150 N476 N482 G486 V487Y124-V484 HydrophobicContact CD1-CG2 4.08Å; Y124-V484 HydrophobicContact CD2-CG1 4.13Å; Y124-V484 HydrophobicContact CE1-CB 4.29Å; Y124-V484 HydrophobicContact CE1-CG1 4.23Å; Y124-V484 HydrophobicContact CE1-CG2 3.5Å; Y124-V484 VanDerWaalsContact CE1-CG2 3.5Å; Y124-V484 HydrophobicContact CE2-CG1 3.67Å; Y124-V484 HydrophobicContact CE2-CG2 4.44Å; W150-V484 HydrophobicContact CZ2-CG1 3.74Å; N476-V484 WeakPolarHBondContact ND2-CG2 3.45Å; N482-V484 WeakPolarHBondContact O-CG2 3.23Å; N482-V484 PolarHBondContact O-N 3.37Å; V484-G486 PolarHBondContact O-N 3.37Å; V484-V487 HydrophobicContact CB-CB 4.14Å; V484-V487 HydrophobicContact CB-CG2 4.02Å; V484-V487 HydrophobicContact CG1-CG2 3.91Å; V484-V487 PolarHBondContact O-N 2.97Å
485Y92.4Very high86.5Confident151 Ų15168.4 Ų68.459%0.59239%0.385SS*.THydrogen-bonded Turntrans-56.2129.2176.7174.1-105.3000111.7V487 S551 V552Y485-V487 PolarHBondContact O-N 3.13Å; Y485-S551 PolarHBondContact OH-OG 2.97Å; Y485-V552 HydrophobicContact CD1-CG2 4.16Å; Y485-V552 HydrophobicContact CE1-CG2 4.18Å
486G94.1Very high84.2Confident21 Ų2175.5 Ų75.522%0.21642%0.421CS..THydrogen-bonded Turntrans66.213.9177.200000115V484 I548 D549V484-G486 PolarHBondContact O-N 3.37Å; G486-I548 CarbonylContact O-C 3.51Å; G486-I548 WeakPolarHBondContact O-CA 3.45Å; G486-D549 PolarHBondContact O-N 2.78Å
487V95.8Very high81.7Confident22 Ų2279.8 Ų79.813%0.13345%0.452CS..EExtended strand (participates in β ladder)trans-112.3130.2176.2-176.90000109.3Y124 H478 V484 Y485Y124-V487 HydrophobicContact CD2-CG2 4.17Å; Y124-V487 HydrophobicContact CG-CG2 4.02Å; H478-V487 WeakPolarHBondContact O-CG1 3.38Å; V484-V487 HydrophobicContact CB-CB 4.14Å; V484-V487 HydrophobicContact CB-CG2 4.02Å; V484-V487 HydrophobicContact CG1-CG2 3.91Å; V484-V487 PolarHBondContact O-N 2.97Å; Y485-V487 PolarHBondContact O-N 3.13Å
488S94.5Very high78.7Confident61 Ų6182.6 Ų82.643%0.42748%0.482SS..EExtended strand (participates in β ladder)trans-138.8160.5173.861.60000110.5V547S488-V547 PolarHBondContact N-O 3.26Å; S488-V547 PolarHBondContact O-N 3.01Å; S488-V547 PolarHBondContact OG-O 2.77Å
489T92.6Very high75.7Confident60 Ų6089.7 Ų89.737%0.36852%0.52SS..EExtended strand (participates in β ladder)trans-123.8139.7177.954.80000110.8H478 Q480 V544 K545H478-T489 HydrophobicContact CB-CG2 3.73Å; Q480-T489 HydrophobicContact CG-CG2 4.44Å; T489-V544 HydrophobicContact CG2-CG2 4.23Å; T489-K545 WeakPolarHBondContact CA-O 3.25Å
490V91.8Very high72.6Confident74 Ų7497.1 Ų97.145%0.44855%0.55SS.*EExtended strand (participates in β ladder)trans-118.1130.2176.6-175.20000108.5I492 V544 K545 V547V490-I492 PolarHBondContact O-N 2.9Å; V490-V544 CarbonylContact O-C 3.59Å; V490-V544 WeakPolarHBondContact O-CA 3.28Å; V490-K545 PolarHBondContact N-O 2.85Å; V490-K545 PolarHBondContact O-N 2.97Å; V490-V547 HydrophobicContact CG2-CG2 3.87Å
491P88.7Confident69.7Low72 Ų72102 Ų10247%0.46857%0.573SS.*EExtended strand (participates in β ladder)trans-59.8131.7173.6-21.832.6000111.2N493P491-N493 PolarHBondContact O-N 2.86Å
492I82.6Confident67.2Low88 Ų88104 Ų10445%0.45159%0.59SS.*  trans-77.594.4173.9-61170000107.5V490 S494 P543 K545V490-I492 PolarHBondContact O-N 2.9Å; I492-S494 PolarHBondContact O-N 3.39Å; I492-P543 HydrophobicContact CB-CB 4.46Å; I492-P543 HydrophobicContact CB-CG 4.47Å; I492-P543 WeakPolarHBondContact CB-O 3.49Å; I492-P543 HydrophobicContact CD1-CB 4.16Å; I492-P543 WeakPolarHBondContact CG1-O 3.31Å; I492-P543 PolarHBondContact N-O 2.92Å; I492-K545 HydrophobicContact CD1-CB 4.23Å; I492-K545 HydrophobicContact CG1-CB 3.92Å
493N72.9Confident64.1Low124 Ų124104.2 Ų104.266%0.66360%0.599SS**  trans-66.2120.3170.6-78.3-22.4000108.8P491 K495 D496P491-N493 PolarHBondContact O-N 2.86Å; N493-K495 PolarHBondContact O-N 2.69Å; N493-D496 PolarHBondContact O-N 3.36Å
494S51.3Low61Low103 Ų103105.1 Ų105.172%0.7259%0.594SS**THydrogen-bonded Turntrans-63.714.5-176.6-35.50000115.3I492 S497I492-S494 PolarHBondContact O-N 3.39Å; S494-S497 PolarHBondContact O-OG 3.45Å
495K44.9Very low57.8Low196 Ų196108.3 Ų108.385%0.85262%0.617SS**THydrogen-bonded Turntrans-93.5-10.9176.8-74.6-171.2175.7-179.10114.3N493N493-K495 PolarHBondContact O-N 2.69Å
496D43.3Very low54.5Low160 Ų160106.9 Ų106.986%0.85662%0.624SS**SBendtrans-92.1-3.2176.2-77.8-21.1000114.2N493 G498N493-D496 PolarHBondContact O-N 3.36Å; D496-G498 PolarHBondContact O-N 2.85Å
497S40.8Very low51.4Low95 Ų95113 Ų11366%0.66465%0.652SS**SBendtrans-80.875.816150.60000109.3S494 L499S494-S497 PolarHBondContact O-OG 3.45Å; S497-L499 PolarHBondContact O-N 3.47Å
498G29.2Very low48.2Very low66 Ų66116.2 Ų116.268%0.6867%0.674SS**  trans-65.293.417800000112.4D496D496-G498 PolarHBondContact O-N 2.85Å
499L32.3Very low44.9Very low172 Ų172121.7 Ų121.790%0.90169%0.692SS**  trans-123.2101.8154.1-84.7160.5000107.3S497S497-L499 PolarHBondContact O-N 3.47Å
500H23.5Very low41.9Very low171 Ų171128.9 Ų128.979%0.79272%0.718SS**  trans-51.1131.5175.9-83-95.4000112.5
501H28.1Very low38.5Very low188 Ų188134.8 Ų134.887%0.8774%0.738SS**  trans-147.7120.4134.9-103-68.5000109.8
502P35.7Very low35.5Very low113 Ų113137.2 Ų137.273%0.73475%0.751SS**  trans-94119.6-176.734-28.4000111.5
503S26.2Very low32.7Very low107 Ų107140 Ų14075%0.74877%0.767SS**  trans-178.3134.7160.654.70000106
504D26.6Very low30.3Very low145 Ų145139 Ų13978%0.77577%0.77SS**  cis-163.2142.510.6-134.6-19.1000106.9
505S26.6Very low29.3Very low86 Ų86139.5 Ų139.560%0.60177%0.771SS**  trans38.4124.8140.672.10000122.8
506T23.7Very low28.3Very low121 Ų121135.8 Ų135.874%0.74277%0.765SS**  trans49.9124.7130.749.90000118.9
507D28.7Very low27.2Very low148 Ų148134 Ų13479%0.79176%0.76SS**  -168151.759.7-118.2-21.8000112.4
508P28.6Very low26.3Very low91 Ų91134.3 Ų134.359%0.59176%0.762SS**  trans-93.7171.2177.634.7-24.2000112.5
509H25.8Very low26.1Very low176 Ų176140.5 Ų140.582%0.81577%0.77SS**  trans95.898.1170.3-54.7-73.6000117.1
510K29Very low25.4Very low210 Ų210140 Ų14091%0.91377%0.768SS**  -165.297.5117.8-104.7166.3-176.4179.30111
511K21.1Very low25.6Very low199 Ų199137.3 Ų137.387%0.86577%0.765SS**  trans-89.4134.5149.3-80.4-179.3173.5-179.70106.7
512T24.3Very low25.3Very low123 Ų123132.7 Ų132.776%0.75575%0.754SS**  trans178.5113.1137.541.70000109.8
513D24.8Very low24.6Very low145 Ų145134.8 Ų134.878%0.77576%0.759SS**  59.9112.5128.3-54.3-20.3000122
514S21.4Very low24.7Very low104 Ų104137.8 Ų137.873%0.72777%0.767SS**  trans-31.1151.4134.952.10000114.2
515P30.8Very low24.5Very low114 Ų114139.5 Ų139.574%0.7477%0.77SS**  -157173.470.142.2-20.5000118.8
516T23.2Very low24.6Very low118 Ų118141.4 Ų141.472%0.72478%0.778SS**  trans78.4103147.1-0.90000121
517T19.8Very low24.7Very low123 Ų123142.3 Ų142.376%0.75578%0.779SS**  38.8116.3117.7-30.60000118.6
518S22.8Very low24.7Very low101 Ų101144 Ų14471%0.70678%0.782SS**  163.2141.7107.257.70000114.1
519K24.7Very low24.8Very low195 Ų195145 Ų14585%0.84879%0.788SS**  trans79.2122.1145.7-76.4174178.2-176.90121.2
520L18.9Very low24.9Very low163 Ų163143 Ų14385%0.85378%0.783SS**  trans-48.9155.3155.6-6988.6000113.3
521P26.3Very low24.9Very low114 Ų114141.7 Ų141.774%0.7479%0.785SS**  -133.3127.3108.927-10.3000111.4
522S22.1Very low25.2Very low91 Ų91139.6 Ų139.664%0.63678%0.778SS**  58.2114.295.9710000116.4
523D22.1Very low25.1Very low156 Ų156139.3 Ų139.383%0.83478%0.78SS**  trans53.5112.8145.4-60.8-22.1000120.6
524N28.4Very low25.2Very low170 Ų170137.4 Ų137.491%0.90978%0.778SS**  -150.5121.4128.9-110-15.4000111.6
525Q22.5Very low25.6Very low181 Ų181139 Ų13985%0.84678%0.783SS**  trans-70.5133.4163.8-68169.3-21.500109.4
526T27.2Very low25.6Very low127 Ų127142.2 Ų142.278%0.77979%0.789SS**  -178.8122.2129.914.20000111.5
527D26.3Very low25.9Very low140 Ų140141.5 Ų141.575%0.74979%0.789SS**  trans56.8117.2133.7-68.6-17000122.8
528Q29Very low26.6Very low182 Ų182141 Ų14185%0.8579%0.79SS**  trans102.4145.7138.1-73.6-165.825.300120.4
529P31.3Very low27.4Very low112 Ų112141.8 Ų141.873%0.72779%0.791SS**  trans-102135.5-137.436.5-30000112.4
530L27.7Very low28.3Very low136 Ų136137.6 Ų137.671%0.71279%0.786SS**  trans-13683.7169.8-119.8148.6000107.8E532L530-E532 HydrophobicContact CD2-CB 3.76Å; L530-E532 HydrophobicContact CD2-CG 3.43Å; L530-E532 VanDerWaalsContact CD2-CG 3.43Å; L530-E532 PolarHBondContact O-N 2.88Å
531L28.6Very low30.1Very low182 Ų182135 Ų13595%0.95377%0.773SS**  trans-73.572.7155.8-103.9119.4000106.7C533L531-C533 PolarHBondContact O-N 3.08Å
532E26.8Very low32Very low154 Ų154136.5 Ų136.572%0.7277%0.769SS**  trans-75.8107.9161.2-113.5168.2-165.400106.4L530 S534L530-E532 HydrophobicContact CD2-CB 3.76Å; L530-E532 HydrophobicContact CD2-CG 3.43Å; L530-E532 VanDerWaalsContact CD2-CG 3.43Å; L530-E532 PolarHBondContact O-N 2.88Å; E532-S534 PolarHBondContact O-N 2.88Å
533C22.6Very low34.7Very low117 Ų117136.2 Ų136.279%0.79177%0.765SS**  trans-37.9112.3170.5-172.20000108.9L531 T535L531-C533 PolarHBondContact O-N 3.08Å; C533-T535 PolarHBondContact O-N 3.17Å
534S27.8Very low37.9Very low106 Ų106130.5 Ų130.574%0.74174%0.736SS**  trans-53.7112.1173.1-56.70000106.8E532 E536E532-S534 PolarHBondContact O-N 2.88Å; S534-E536 PolarHBondContact O-N 2.67Å
535T28.7Very low40.9Very low136 Ų136128.6 Ų128.683%0.83472%0.72SS**  trans-52.9108.1170.326.80000106.2C533 S537C533-T535 PolarHBondContact O-N 3.17Å; T535-S537 PolarHBondContact O-N 2.62Å
536E30.7Very low44.4Very low182 Ų182120.2 Ų120.285%0.8568%0.681SS**  trans-47.4115.9172.3-69.7175.9170.900106.6S534 S538S534-E536 PolarHBondContact O-N 2.67Å; E536-S538 PolarHBondContact O-N 2.72Å
537S29.8Very low47.6Very low104 Ų104116.9 Ų116.973%0.72766%0.66SS**  trans-56.693.9170.950.20000106.8T535 T539T535-S537 PolarHBondContact O-N 2.62Å; S537-T539 PolarHBondContact O-N 3.39Å
538S34.5Very low50.9Low111 Ų111110.8 Ų110.878%0.77663%0.628SS**  trans-62.591.8163.222.50000104.5E536 S540E536-S538 PolarHBondContact O-N 2.72Å; S538-S540 PolarHBondContact O-N 3.4Å
539T38.5Very low54Low119 Ų119106.1 Ų106.173%0.7361%0.609SS**  trans-5597166.9240000105.7S537 L541S537-T539 PolarHBondContact O-N 3.39Å; T539-L541 PolarHBondContact O-N 2.89Å
540S44.4Very low56.9Low106 Ų106108.6 Ų108.674%0.74161%0.61SS**  trans-63.297168.657.90000105.6S538 Q542S538-S540 PolarHBondContact O-N 3.4Å; S540-Q542 PolarHBondContact O-N 3.45Å
541L56.3Low60Low110 Ų110104.1 Ų104.158%0.57659%0.591SS**  trans-55.7106.9174.1-75.8161.1000106T539T539-L541 PolarHBondContact O-N 2.89Å
542Q65.7Low63.1Low144 Ų14495.5 Ų95.567%0.67355%0.545SS*.  trans-58.2136.7173.9-71.3-173-8.900107.5S540 V544S540-Q542 PolarHBondContact O-N 3.45Å; Q542-V544 PolarHBondContact O-N 2.96Å; Q542-V544 VanDerWaalsContact O-N 3.09Å
543P80.6Confident66.3Low85 Ų8588.7 Ų88.755%0.55251%0.513SS*.  trans-60.4120.6-179.625.5-33.5000108.8I492I492-P543 HydrophobicContact CB-CB 4.46Å; I492-P543 HydrophobicContact CB-CG 4.47Å; I492-P543 WeakPolarHBondContact CB-O 3.49Å; I492-P543 HydrophobicContact CD1-CB 4.16Å; I492-P543 WeakPolarHBondContact CG1-O 3.31Å; I492-P543 PolarHBondContact N-O 2.92Å
544V88.8Confident69.6Low36 Ų3688.3 Ų88.322%0.21850%0.504CS..EExtended strand (participates in β ladder)trans-108.8150.6177.3-66.20000110.3Q480 T489 V490 Q542Q480-V544 VanDerWaalsContact NE2-CG2 3.28Å; T489-V544 HydrophobicContact CG2-CG2 4.23Å; V490-V544 CarbonylContact O-C 3.59Å; V490-V544 WeakPolarHBondContact O-CA 3.28Å; Q542-V544 PolarHBondContact O-N 2.96Å; Q542-V544 VanDerWaalsContact O-N 3.09Å
545K91.7Very high72.5Confident131 Ų13184.4 Ų84.457%0.5748%0.475SS*.EExtended strand (participates in β ladder)trans-100.2123.8167-177.5178.6178.2-177.30108.5T489 V490 I492T489-K545 WeakPolarHBondContact CA-O 3.25Å; V490-K545 PolarHBondContact N-O 2.85Å; V490-K545 PolarHBondContact O-N 2.97Å; I492-K545 HydrophobicContact CD1-CB 4.23Å; I492-K545 HydrophobicContact CG1-CB 3.92Å
546C94.6Very high75.2Confident4 Ų480 Ų803%0.02746%0.456CS..EExtended strand (participates in β ladder)trans-73.3136.5170.8-169.60000109.7D122 H478D122-C546 VanDerWaalsContact O-CB 3.31Å; D122-C546 WeakPolarHBondContact O-CB 3.36Å; H478-C546 HydrophobicContact CB-CB 4.23Å
547V95.2Very high77.8Confident58 Ų5881.3 Ų81.335%0.35246%0.459SS..EExtended strand (participates in β ladder)trans-125.3121.1175.2178.90000107.4S488 V490S488-V547 PolarHBondContact N-O 3.26Å; S488-V547 PolarHBondContact O-N 3.01Å; S488-V547 PolarHBondContact OG-O 2.77Å; V490-V547 HydrophobicContact CG2-CG2 3.87Å
548I95.7Very high80.6Confident12 Ų1279.4 Ų79.46%0.06246%0.456CS..EExtended strand (participates in β ladder)trans-107.4128.5179.5-54.9-174.5000108.4F123 W150 K151 C152 G486 V552 F553F123-I548 VanDerWaalsContact O-CD1 3.3Å; F123-I548 WeakPolarHBondContact O-CD1 3.49Å; W150-I548 HydrophobicContact CB-CD1 4.14Å; K151-I548 WeakPolarHBondContact O-CD1 3.46Å; C152-I548 HydrophobicContact CB-CB 4.09Å; C152-I548 HydrophobicContact CB-CD1 4.38Å; C152-I548 HydrophobicContact CB-CG2 4.4Å; G486-I548 CarbonylContact O-C 3.51Å; G486-I548 WeakPolarHBondContact O-CA 3.45Å; I548-V552 HydrophobicContact CG2-CB 4.15Å; I548-V552 HydrophobicContact CG2-CG1 4.43Å; I548-V552 HydrophobicContact CG2-CG2 4Å; I548-F553 HydrophobicContact CG2-CE2 3.96Å
549D94.7Very high83.2Confident84 Ų8476.7 Ų76.745%0.44943%0.429SS..  trans-69.5140.3175.7-164.5-81.2000110.7G486 S551 V552G486-D549 PolarHBondContact O-N 2.78Å; D549-S551 PolarHBondContact O-N 3.33Å; D549-S551 WeakPolarHBondContact OD1-CB 3.35Å; D549-S551 PolarHBondContact OD1-N 2.69Å; D549-S551 PolarHBondContact OD1-OG 3.15Å; D549-V552 WeakPolarHBondContact O-CB 3.16Å; D549-V552 WeakPolarHBondContact O-CG2 3.34Å; D549-V552 PolarHBondContact O-N 3Å
550E91.5Very high85.5Confident164 Ų16477.1 Ų77.177%0.76642%0.423SS*.G310 helixtrans-62.7-27.2179.6-169.7172.8-171.200112.2V552 F553E550-V552 PolarHBondContact O-N 3.47Å; E550-V552 VanDerWaalsContact O-N 3.14Å; E550-F553 PolarHBondContact O-N 3.32Å
551S93.1Very high87.5Confident42 Ų4275.6 Ų75.629%0.29441%0.406SS..G310 helixtrans-62.3-20.7177.881.80000113.4Y485 D549 F553 D554Y485-S551 PolarHBondContact OH-OG 2.97Å; D549-S551 PolarHBondContact O-N 3.33Å; D549-S551 WeakPolarHBondContact OD1-CB 3.35Å; D549-S551 PolarHBondContact OD1-N 2.69Å; D549-S551 PolarHBondContact OD1-OG 3.15Å; S551-F553 PolarHBondContact O-N 2.73Å; S551-D554 PolarHBondContact O-N 3.38Å; S551-D554 VanDerWaalsContact O-N 3.1Å
552V93.7Very high88.6Confident0 Ų072.8 Ų72.80%039%0.391CS..G310 helixtrans-60.8-28.1172.9175.60000111.1W150 R157 Y485 I548 D549 E550W150-V552 HydrophobicContact CB-CG1 4.05Å; W150-V552 HydrophobicContact CD2-CG1 4Å; W150-V552 HydrophobicContact CG-CG1 3.63Å; R157-V552 VanDerWaalsContact CD-O 3.23Å; R157-V552 WeakPolarHBondContact CD-O 3.5Å; R157-V552 PolarHBondContact NH1-O 3.13Å; Y485-V552 HydrophobicContact CD1-CG2 4.16Å; Y485-V552 HydrophobicContact CE1-CG2 4.18Å; I548-V552 HydrophobicContact CG2-CB 4.15Å; I548-V552 HydrophobicContact CG2-CG1 4.43Å; I548-V552 HydrophobicContact CG2-CG2 4Å; D549-V552 WeakPolarHBondContact O-CB 3.16Å; D549-V552 WeakPolarHBondContact O-CG2 3.34Å; D549-V552 PolarHBondContact O-N 3Å; E550-V552 PolarHBondContact O-N 3.47Å; E550-V552 VanDerWaalsContact O-N 3.14Å
553F93.6Very high88.8Confident12 Ų1269.4 Ų69.45%0.05338%0.38CS..G310 helixtrans-98.310.7178.9-55.1-86.2000113.1W150 C152 N155 R157 M179 I548 E550 S551W150-F553 HydrophobicContact CB-CZ 4.24Å; C152-F553 HydrophobicContact CB-CE2 3.57Å; C152-F553 HydrophobicContact CB-CZ 3.75Å; N155-F553 HydrophobicContact CB-CD1 3.82Å; N155-F553 HydrophobicContact CB-CD2 4.49Å; N155-F553 HydrophobicContact CB-CE1 3.65Å; N155-F553 HydrophobicContact CB-CE2 4.36Å; N155-F553 HydrophobicContact CB-CG 4.23Å; N155-F553 HydrophobicContact CB-CZ 3.94Å; R157-F553 HydrophobicContact CB-CD1 3.96Å; R157-F553 HydrophobicContact CB-CE1 3.75Å; M179-F553 VanDerWaalsContact CE-C 3.4Å; M179-F553 VanDerWaalsContact CE-CA 3.44Å; M179-F553 HydrophobicContact CE-CB 4Å; M179-F553 HydrophobicContact CE-CD1 4.48Å; M179-F553 WeakPolarHBondContact CE-O 3.26Å; I548-F553 HydrophobicContact CG2-CE2 3.96Å; E550-F553 PolarHBondContact O-N 3.32Å; S551-F553 PolarHBondContact O-N 2.73Å
554D91.6Very high88Confident109 Ų10968.3 Ų68.358%0.58337%0.367SS*.  trans-98.6126.9169-1706.4000110.3S551 G556S551-D554 PolarHBondContact O-N 3.38Å; S551-D554 VanDerWaalsContact O-N 3.1Å; D554-G556 VanDerWaalsContact C-N 3.32Å; D554-G556 PolarHBondContact OD1-N 2.75Å
555V88.1Confident86.2Confident24 Ų2471.7 Ų71.715%0.14538%0.384CS..  trans-82-18176.9-178.20000111M179 V192 I199 Y559M179-V555 HydrophobicContact CE-CG2 4.12Å; M179-V555 HydrophobicContact SD-CG2 3.54Å; M179-V555 VanDerWaalsContact SD-CG2 3.54Å; V192-V555 HydrophobicContact CG1-CG1 3.47Å; V192-V555 VanDerWaalsContact CG1-CG1 3.47Å; V192-V555 HydrophobicContact CG1-CG2 4.2Å; V192-V555 HydrophobicContact CG2-CG1 4.42Å; V192-V555 HydrophobicContact CG2-CG2 3.72Å; I199-V555 HydrophobicContact CD1-CB 4.25Å; I199-V555 HydrophobicContact CD1-CG1 3.84Å; I199-V555 HydrophobicContact CD1-CG2 4.47Å; I199-V555 HydrophobicContact CG1-CG1 4.28Å; V555-Y559 HydrophobicContact CG1-CD1 3.79Å; V555-Y559 HydrophobicContact CG1-CD2 3.62Å; V555-Y559 HydrophobicContact CG1-CE1 3.83Å; V555-Y559 HydrophobicContact CG1-CE2 3.66Å; V555-Y559 HydrophobicContact CG1-CG 3.72Å; V555-Y559 VanDerWaalsContact O-CE2 3.28Å; V555-Y559 WeakPolarHBondContact O-CE2 3.38Å
556G85.6Confident84.2Confident42 Ų4267.8 Ų67.843%0.43337%0.374SS..  trans81.8-171.8-176.200000113.6D554D554-G556 VanDerWaalsContact C-N 3.32Å; D554-G556 PolarHBondContact OD1-N 2.75Å
557K86.9Confident81.8Confident210 Ų21068.5 Ų68.591%0.91338%0.378SS*.SBendtrans-94.6153.7-175.7-62.8179.8-177.3176.50111.7
558G86.8Confident79.5Confident64 Ų6466.4 Ų66.466%0.6637%0.368SS*.SBendtrans94.49.9172.700000115.1
559Y90.5Very high77.1Confident54 Ų5473.9 Ų73.921%0.21240%0.402CS..  trans-86.4141.5169.8-75.5-104.4000111V192 H194 R197 I199 V555V192-Y559 HydrophobicContact CG1-CD1 4.1Å; V192-Y559 HydrophobicContact CG1-CE1 3.74Å; H194-Y559 AromaticContact ND1-CE1 3.92Å; H194-Y559 AromaticContact ND1-CZ 3.6Å; H194-Y559 PolarHBondContact ND1-OH 3.37Å; R197-Y559 VanDerWaalsContact C-CD1 3.43Å; R197-Y559 HydrophobicContact CB-CD1 4.03Å; R197-Y559 HydrophobicContact CB-CE1 4.1Å; R197-Y559 HydrophobicContact CB-CG 4.36Å; R197-Y559 HydrophobicContact CG-CE1 4.43Å; R197-Y559 CarbonylContact O-C 3.58Å; R197-Y559 WeakPolarHBondContact O-CA 3.35Å; I199-Y559 HydrophobicContact CD1-CD1 4.29Å; I199-Y559 HydrophobicContact CD1-CG 4.05Å; I199-Y559 HydrophobicContact CG1-CD1 3.89Å; I199-Y559 HydrophobicContact CG1-CG 4.14Å; V555-Y559 HydrophobicContact CG1-CD1 3.79Å; V555-Y559 HydrophobicContact CG1-CD2 3.62Å; V555-Y559 HydrophobicContact CG1-CE1 3.83Å; V555-Y559 HydrophobicContact CG1-CE2 3.66Å; V555-Y559 HydrophobicContact CG1-CG 3.72Å; V555-Y559 VanDerWaalsContact O-CE2 3.28Å; V555-Y559 WeakPolarHBondContact O-CE2 3.38Å
560H86.3Confident74.8Confident129 Ų12972 Ų7260%0.59739%0.389SS*.EExtended strand (participates in β ladder)trans-86.4114172.2-17161.8000110R197 T198 I199R197-H560 PolarHBondContact O-N 2.71Å; T198-H560 CarbonylContact C-O 3.49Å; T198-H560 WeakPolarHBondContact CA-O 3.24Å; T198-H560 HydrophobicContact CG2-CB 4.48Å; I199-H560 PolarHBondContact N-O 3.26Å
561L86.3Confident72.4Confident74 Ų7465.3 Ų65.339%0.38736%0.364SS..EExtended strand (participates in β ladder)trans-83.4118.8178.2-179.967.1000110.3I199 R201 V563I199-L561 HydrophobicContact CB-CD1 3.92Å; I199-L561 HydrophobicContact CG2-CD1 3.72Å; R201-L561 HydrophobicContact CB-CD1 3.86Å; L561-V563 HydrophobicContact CD1-CG2 4.41Å; L561-V563 HydrophobicContact CD2-CG2 3.79Å; L561-V563 HydrophobicContact CG-CG2 3.82Å
562I79.8Confident69.9Low50 Ų5063.8 Ų63.826%0.25636%0.355SS..EExtended strand (participates in β ladder)trans-105.1104.9170.5-57.8170.2000106.1T198 I199 Y200 R201 E564T198-I562 HydrophobicContact CG2-CD1 4.48Å; I199-I562 PolarHBondContact O-N 3.48Å; Y200-I562 WeakPolarHBondContact CA-O 3.48Å; Y200-I562 HydrophobicContact CD1-CB 3.97Å; Y200-I562 HydrophobicContact CD1-CD1 4.21Å; Y200-I562 HydrophobicContact CD1-CG2 3.93Å; Y200-I562 HydrophobicContact CE1-CB 4.11Å; Y200-I562 HydrophobicContact CE1-CD1 3.53Å; Y200-I562 HydrophobicContact CE1-CG1 4.42Å; Y200-I562 HydrophobicContact CE1-CG2 3.98Å; Y200-I562 HydrophobicContact CE2-CD1 4.42Å; R201-I562 PolarHBondContact N-O 2.81Å; I562-E564 HydrophobicContact CG2-CG 4.25Å; I562-E564 PolarHBondContact O-N 3.38Å
563V70Confident67.5Low74 Ų7465.3 Ų65.345%0.44836%0.363SS..EExtended strand (participates in β ladder)trans-85.2105.4174.9-176.10000107.6L561L561-V563 HydrophobicContact CD1-CG2 4.41Å; L561-V563 HydrophobicContact CD2-CG2 3.79Å; L561-V563 HydrophobicContact CG-CG2 3.82Å
564E63Low65.2Low61 Ų6170 Ų7029%0.28538%0.381SS..EExtended strand (participates in β ladder)trans-87.7118.1169.6-75.5-157.6174.800109.4R201 I562 S566R201-E564 PolarHBondContact O-N 3.33Å; I562-E564 HydrophobicContact CG2-CG 4.25Å; I562-E564 PolarHBondContact O-N 3.38Å; E564-S566 WeakPolarHBondContact CB-O 3.3Å; E564-S566 WeakPolarHBondContact CB-OG 3.45Å; E564-S566 VanDerWaalsContact CD-OG 3.31Å; E564-S566 PolarHBondContact OE2-OG 3.37Å
565N52Low63Low107 Ų10768.5 Ų68.557%0.57237%0.373SS*.SBendtrans-79.9-10.5161.8-68.3-20.6000110.9F234 P567F234-N565 HydrophobicContact CD1-CB 4.2Å; F234-N565 VanDerWaalsContact CD1-O 3.22Å; F234-N565 WeakPolarHBondContact CD1-O 3.45Å; F234-N565 HydrophobicContact CE1-CB 4.2Å; N565-P567 VanDerWaalsContact O-CD 3.3Å; N565-P567 WeakPolarHBondContact O-CD 3.32Å
566S49.3Very low61Low50 Ų5071 Ų7135%0.3538%0.383SS..SBendtrans-69.5116.416037.30000107E564 G568E564-S566 WeakPolarHBondContact CB-O 3.3Å; E564-S566 WeakPolarHBondContact CB-OG 3.45Å; E564-S566 VanDerWaalsContact CD-OG 3.31Å; E564-S566 PolarHBondContact OE2-OG 3.37Å; S566-G568 PolarHBondContact O-N 3.07Å
567P43.9Very low59.3Low19 Ų1971 Ų7112%0.12337%0.372CS..  trans-65.412816441.5-39.6000101.6V103 N565 Y570V103-P567 HydrophobicContact CB-CB 4.49Å; V103-P567 HydrophobicContact CB-CG 3.96Å; V103-P567 HydrophobicContact CG1-CB 3.84Å; V103-P567 HydrophobicContact CG1-CG 3.45Å; V103-P567 VanDerWaalsContact CG1-CG 3.45Å; V103-P567 HydrophobicContact CG2-CB 3.93Å; V103-P567 HydrophobicContact CG2-CG 3.2Å; N565-P567 VanDerWaalsContact O-CD 3.3Å; N565-P567 WeakPolarHBondContact O-CD 3.32Å; P567-Y570 VanDerWaalsContact C-CD2 3.49Å; P567-Y570 VanDerWaalsContact CA-CE2 3.45Å; P567-Y570 HydrophobicContact CB-CD2 4.35Å; P567-Y570 HydrophobicContact CB-CE2 3.32Å; P567-Y570 HydrophobicContact CG-CD2 4.29Å; P567-Y570 HydrophobicContact CG-CE2 3.68Å; P567-Y570 WeakPolarHBondContact O-CD2 3.42Å; P567-Y570 WeakPolarHBondContact O-CE2 3.32Å
568G46.8Very low57.5Low14 Ų1465.1 Ų65.114%0.14435%0.347CS..  trans-50-153.5-15100000119.8H202 S566 Y570H202-G568 VanDerWaalsContact CE1-CA 3.5Å; H202-G568 WeakPolarHBondContact CE1-CA 3.42Å; H202-G568 PolarHBondContact ND1-N 2.94Å; S566-G568 PolarHBondContact O-N 3.07Å; G568-Y570 VanDerWaalsContact N-CE2 3.27Å; G568-Y570 WeakPolarHBondContact O-CD2 3.35Å; G568-Y570 PolarHBondContact O-N 3.31Å
569H44.7Very low55.3Low168 Ų16866.5 Ų66.578%0.77834%0.338SS*.SBendtrans-7262.9-174.4-150.769.8000112.4A572H569-A572 WeakPolarHBondContact CD2-CB 3.33Å
570Y46.4Very low53.3Low44 Ų4465.3 Ų65.317%0.17334%0.336CS..THydrogen-bonded Turntrans-73.3144.4-176.2-59.3-66000112.6V103 Q106 Y437 P567 G568 A572V103-Y570 HydrophobicContact CG2-CD2 3.92Å; V103-Y570 HydrophobicContact CG2-CE2 3.79Å; Q106-Y570 VanDerWaalsContact OE1-CZ 3.24Å; Q106-Y570 PolarHBondContact OE1-OH 3.11Å; Y437-Y570 HydrophobicContact CE1-CE1 4.29Å; P567-Y570 VanDerWaalsContact C-CD2 3.49Å; P567-Y570 VanDerWaalsContact CA-CE2 3.45Å; P567-Y570 HydrophobicContact CB-CD2 4.35Å; P567-Y570 HydrophobicContact CB-CE2 3.32Å; P567-Y570 HydrophobicContact CG-CD2 4.29Å; P567-Y570 HydrophobicContact CG-CE2 3.68Å; P567-Y570 WeakPolarHBondContact O-CD2 3.42Å; P567-Y570 WeakPolarHBondContact O-CE2 3.32Å; G568-Y570 VanDerWaalsContact N-CE2 3.27Å; G568-Y570 WeakPolarHBondContact O-CD2 3.35Å; G568-Y570 PolarHBondContact O-N 3.31Å; Y570-A572 VanDerWaalsContact C-N 3.28Å
571G41.2Very low51.7Low24 Ų2462.9 Ų62.925%0.24733%0.325CS..THydrogen-bonded Turntrans86.3-8-179.100000114.4L573G571-L573 VanDerWaalsContact C-N 3.34Å
572A41.7Very low49.8Very low11 Ų1163.4 Ų63.49%0.09133%0.327CS..THydrogen-bonded Turntrans-75.1-19.917400000113.4H569 Y570 Y574 D575 E576H569-A572 WeakPolarHBondContact CD2-CB 3.33Å; Y570-A572 VanDerWaalsContact C-N 3.28Å; A572-Y574 PolarHBondContact O-N 3.01Å; A572-Y574 VanDerWaalsContact O-N 3.13Å; A572-D575 CarbonylContact O-C 3.6Å; A572-D575 WeakPolarHBondContact O-CA 3.4Å; A572-D575 PolarHBondContact O-N 3.41Å; A572-E576 WeakPolarHBondContact O-CG 3.5Å; A572-E576 PolarHBondContact O-N 3.01Å
573L42.3Very low48.1Very low31 Ų3161.1 Ų61.116%0.16232%0.315CS..Hα-helixtrans-53.8-35.9177.1-75.1-178.1000113E436 P439 G571 D575 E576 E577E436-L573 VanDerWaalsContact O-CD1 3.29Å; E436-L573 WeakPolarHBondContact O-CD1 3.33Å; P439-L573 HydrophobicContact CB-CD2 4.29Å; G571-L573 VanDerWaalsContact C-N 3.34Å; L573-D575 VanDerWaalsContact C-N 3.31Å; L573-D575 PolarHBondContact O-N 3.28Å; L573-E576 PolarHBondContact O-N 3.49Å; L573-E577 WeakPolarHBondContact O-CB 3.48Å; L573-E577 PolarHBondContact O-N 2.98Å
574Y45.1Very low47.2Very low111 Ų11158.5 Ų58.544%0.43530%0.299SS..Hα-helixtrans-65.4-35.6175.3-73.4-72.3000112.9A572 Q578A572-Y574 PolarHBondContact O-N 3.01Å; A572-Y574 VanDerWaalsContact O-N 3.13Å; Y574-Q578 WeakPolarHBondContact O-CG 3.37Å; Y574-Q578 PolarHBondContact O-NE2 3.42Å; Y574-Q578 VanDerWaalsContact O-NE2 3.12Å
575D45.9Very low46.5Very low78 Ų7859.8 Ų59.842%0.41731%0.305SS..Hα-helixtrans-80.4-35.6179.6-61.3-26.9000109.7K246 A572 L573 M579K246-D575 IonicContact NZ-OD1 3.56Å; K246-D575 PolarHBondContact NZ-OD1 3.36Å; K246-D575 VanDerWaalsContact NZ-OD1 3.16Å; K246-D575 IonicContact NZ-OD2 3.41Å; K246-D575 PolarHBondContact NZ-OD2 2.69Å; A572-D575 CarbonylContact O-C 3.6Å; A572-D575 WeakPolarHBondContact O-CA 3.4Å; A572-D575 PolarHBondContact O-N 3.41Å; L573-D575 VanDerWaalsContact C-N 3.31Å; L573-D575 PolarHBondContact O-N 3.28Å; D575-M579 WeakPolarHBondContact O-CB 3.4Å; D575-M579 PolarHBondContact O-N 2.93Å
576E47.3Very low46.1Very low75 Ų7559 Ų5935%0.3529%0.294SS..Hα-helixtrans-73.2-38.9175.7-71.1178.5-174.800113.4A572 L573 Q578 M579 V580A572-E576 WeakPolarHBondContact O-CG 3.5Å; A572-E576 PolarHBondContact O-N 3.01Å; L573-E576 PolarHBondContact O-N 3.49Å; E576-Q578 VanDerWaalsContact C-N 3.33Å; E576-Q578 PolarHBondContact O-N 3.24Å; E576-M579 CarbonylContact O-C 3.52Å; E576-M579 WeakPolarHBondContact O-CA 3.4Å; E576-M579 WeakPolarHBondContact O-CB 3.18Å; E576-M579 PolarHBondContact O-N 3.27Å; E576-M579 VanDerWaalsContact O-N 3.11Å; E576-V580 WeakPolarHBondContact O-CG2 3.49Å; E576-V580 PolarHBondContact O-N 3.08Å
577E48.7Very low45.9Very low44 Ų4456.9 Ų56.921%0.20628%0.28CS..Hα-helixtrans-62-44.4176.7-170.9-164.9169.300110.6K443 L573 M579 V580 Q581K443-E577 WeakPolarHBondContact CE-OE1 3.45Å; K443-E577 IonicContact NZ-OE1 2.79Å; K443-E577 PolarHBondContact NZ-OE1 3.34Å; L573-E577 WeakPolarHBondContact O-CB 3.48Å; L573-E577 PolarHBondContact O-N 2.98Å; E577-M579 VanDerWaalsContact C-N 3.31Å; E577-V580 PolarHBondContact O-N 3.39Å; E577-Q581 PolarHBondContact O-N 3.18Å
578Q48.3Very low46Very low86 Ų8656.8 Ų56.840%0.40228%0.278SS..Hα-helixtrans-62.8-40.1172.8-76.4178.167.300110.9Y574 E576 Q581 M582Y574-Q578 WeakPolarHBondContact O-CG 3.37Å; Y574-Q578 PolarHBondContact O-NE2 3.42Å; Y574-Q578 VanDerWaalsContact O-NE2 3.12Å; E576-Q578 VanDerWaalsContact C-N 3.33Å; E576-Q578 PolarHBondContact O-N 3.24Å; Q578-Q581 PolarHBondContact O-N 2.9Å; Q578-M582 WeakPolarHBondContact O-CB 3.01Å; Q578-M582 PolarHBondContact O-N 3.08Å
579M42.1Very low45.9Very low93 Ų9357.5 Ų57.546%0.45828%0.279SS..Hα-helixtrans-61.8-42.5175.4-164.6-174.1-52.500111.9D575 E576 E577 M582 A583D575-M579 WeakPolarHBondContact O-CB 3.4Å; D575-M579 PolarHBondContact O-N 2.93Å; E576-M579 CarbonylContact O-C 3.52Å; E576-M579 WeakPolarHBondContact O-CA 3.4Å; E576-M579 WeakPolarHBondContact O-CB 3.18Å; E576-M579 PolarHBondContact O-N 3.27Å; E576-M579 VanDerWaalsContact O-N 3.11Å; E577-M579 VanDerWaalsContact C-N 3.31Å; M579-M582 PolarHBondContact O-N 2.93Å; M579-A583 WeakPolarHBondContact O-CA 3.35Å; M579-A583 WeakPolarHBondContact O-CB 3.41Å; M579-A583 PolarHBondContact O-N 2.8Å
580V49.1Very low45.9Very low29 Ų2953 Ų5318%0.17626%0.259CS..Hα-helixtrans-68.6-41.2178.4172.50000111.6W171 Y440 E576 E577 A583 V584W171-V580 HydrophobicContact CH2-CG1 4.32Å; Y440-V580 HydrophobicContact CE1-CG1 4.08Å; E576-V580 WeakPolarHBondContact O-CG2 3.49Å; E576-V580 PolarHBondContact O-N 3.08Å; E577-V580 PolarHBondContact O-N 3.39Å; V580-A583 WeakPolarHBondContact O-CB 3.43Å; V580-A583 PolarHBondContact O-N 3Å; V580-V584 WeakPolarHBondContact O-CG2 3.32Å; V580-V584 PolarHBondContact O-N 2.79Å
581Q52Low46Very low77 Ų7752.2 Ų52.236%0.3626%0.255SS..Hα-helixtrans-64.3-45.5174-75.8-178.5-10.100111.5E577 Q578 A583 V584 Q585E577-Q581 PolarHBondContact O-N 3.18Å; Q578-Q581 PolarHBondContact O-N 2.9Å; Q581-A583 VanDerWaalsContact C-N 3.3Å; Q581-A583 PolarHBondContact O-N 2.88Å; Q581-V584 PolarHBondContact O-N 3.19Å; Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.11Å; Q581-Q585 PolarHBondContact O-N 2.73Å
582M45.3Very low46Very low86 Ų8651.9 Ų51.942%0.42425%0.252SS..Hα-helixtrans-64.2-36.7176-168.7-176.1-149.500111.4Q578 M579 Q585 R586Q578-M582 WeakPolarHBondContact O-CB 3.01Å; Q578-M582 PolarHBondContact O-N 3.08Å; M579-M582 PolarHBondContact O-N 2.93Å; M582-Q585 PolarHBondContact O-N 3.13Å; M582-R586 HydrophobicContact CG-CG 4.24Å; M582-R586 WeakPolarHBondContact O-CB 3.35Å; M582-R586 VanDerWaalsContact O-CG 3.28Å; M582-R586 WeakPolarHBondContact O-CG 3.3Å; M582-R586 PolarHBondContact O-N 3.46Å
583A45.6Very low46Very low1 Ų152.7 Ų52.71%0.00826%0.257CS..Hα-helixtrans-63.3-49.9176.400000112.2F165 M579 V580 Q581 Q585 R586 S587F165-A583 HydrophobicContact CB-CB 4.23Å; F165-A583 HydrophobicContact CD1-CB 3.24Å; F165-A583 HydrophobicContact CD2-CB 3.57Å; F165-A583 HydrophobicContact CE1-CB 3.15Å; F165-A583 HydrophobicContact CE2-CB 3.48Å; F165-A583 VanDerWaalsContact CE2-CB 3.48Å; F165-A583 HydrophobicContact CG-CB 3.41Å; F165-A583 VanDerWaalsContact CG-CB 3.41Å; F165-A583 VanDerWaalsContact CZ-CA 3.43Å; F165-A583 HydrophobicContact CZ-CB 3.24Å; M579-A583 WeakPolarHBondContact O-CA 3.35Å; M579-A583 WeakPolarHBondContact O-CB 3.41Å; M579-A583 PolarHBondContact O-N 2.8Å; V580-A583 WeakPolarHBondContact O-CB 3.43Å; V580-A583 PolarHBondContact O-N 3Å; Q581-A583 VanDerWaalsContact C-N 3.3Å; Q581-A583 PolarHBondContact O-N 2.88Å; A583-Q585 VanDerWaalsContact C-N 3.32Å; A583-R586 PolarHBondContact O-N 3.49Å; A583-S587 WeakPolarHBondContact O-CB 3.24Å; A583-S587 PolarHBondContact O-N 3.18Å; A583-S587 PolarHBondContact O-OG 3.2Å
584V50.2Low45.9Very low19 Ų1952.2 Ų52.212%0.11526%0.257CS..Hα-helixtrans-61.7-44.7175.3171.20000109.5W171 L468 V580 Q581 L588W171-V584 HydrophobicContact CH2-CG2 4.35Å; W171-V584 HydrophobicContact CZ2-CG2 4.2Å; L468-V584 HydrophobicContact CD2-CG1 3.75Å; V580-V584 WeakPolarHBondContact O-CG2 3.32Å; V580-V584 PolarHBondContact O-N 2.79Å; Q581-V584 PolarHBondContact O-N 3.19Å; V584-L588 HydrophobicContact CG1-CD1 3.85Å; V584-L588 WeakPolarHBondContact O-CB 3.21Å; V584-L588 WeakPolarHBondContact O-CD1 3.35Å; V584-L588 WeakPolarHBondContact O-CG 3.41Å; V584-L588 PolarHBondContact O-N 3.34Å
585Q48.2Very low45.8Very low89 Ų8951.3 Ų51.342%0.41626%0.256SS..Hα-helixtrans-65-46.5178.5-172.3174-17.800112.6Q581 M582 A583 L588 V589Q581-Q585 VanDerWaalsContact O-CB 3.31Å; Q581-Q585 WeakPolarHBondContact O-CB 3.11Å; Q581-Q585 PolarHBondContact O-N 2.73Å; M582-Q585 PolarHBondContact O-N 3.13Å; A583-Q585 VanDerWaalsContact C-N 3.32Å; Q585-L588 PolarHBondContact O-N 3.5Å; Q585-V589 HydrophobicContact CG-CG2 4.47Å; Q585-V589 VanDerWaalsContact O-CG2 3.27Å; Q585-V589 WeakPolarHBondContact O-CG2 3.34Å; Q585-V589 PolarHBondContact O-N 2.6Å
586R44.5Very low45.6Very low89 Ų8950.8 Ų50.834%0.33625%0.254SS..Hα-helixtrans-63.5-45176.1-79.5-177176.2177.4-1.1111.6M582 A583 L588 V589 E590M582-R586 HydrophobicContact CG-CG 4.24Å; M582-R586 WeakPolarHBondContact O-CB 3.35Å; M582-R586 VanDerWaalsContact O-CG 3.28Å; M582-R586 WeakPolarHBondContact O-CG 3.3Å; M582-R586 PolarHBondContact O-N 3.46Å; A583-R586 PolarHBondContact O-N 3.49Å; R586-L588 PolarHBondContact O-N 3.11Å; R586-V589 PolarHBondContact O-N 3.15Å; R586-V589 VanDerWaalsContact O-N 3.12Å; R586-E590 WeakPolarHBondContact O-CB 3.42Å; R586-E590 WeakPolarHBondContact O-CG 3.46Å; R586-E590 PolarHBondContact O-N 3.3Å
587S44.8Very low45.4Very low7 Ų749.5 Ų49.55%0.04925%0.249CC..Hα-helixtrans-61.6-25.9175.3-54.30000112M141 A583 Y591M141-S587 VanDerWaalsContact CE-O 3.3Å; M141-S587 WeakPolarHBondContact CE-O 3.36Å; A583-S587 WeakPolarHBondContact O-CB 3.24Å; A583-S587 PolarHBondContact O-N 3.18Å; A583-S587 PolarHBondContact O-OG 3.2Å; S587-Y591 WeakPolarHBondContact O-CB 3.28Å; S587-Y591 WeakPolarHBondContact O-CD2 3.4Å
588L45.9Very low45.2Very low17 Ų1752.3 Ų52.39%0.08926%0.264CS..Hα-helixtrans-82.9-38.1173.8-68.7164.4000112.2V138 L346 L350 L468 V584 Q585 R586V138-L588 HydrophobicContact CG1-CD2 3.42Å; V138-L588 VanDerWaalsContact CG1-CD2 3.42Å; L346-L588 WeakPolarHBondContact CD1-O 3.48Å; L350-L588 HydrophobicContact CD1-CB 4.29Å; L350-L588 HydrophobicContact CD2-CB 4.17Å; L350-L588 HydrophobicContact CD2-CD1 3.67Å; L350-L588 HydrophobicContact CD2-CG 4.46Å; L468-L588 HydrophobicContact CD2-CD1 4.29Å; V584-L588 HydrophobicContact CG1-CD1 3.85Å; V584-L588 WeakPolarHBondContact O-CB 3.21Å; V584-L588 WeakPolarHBondContact O-CD1 3.35Å; V584-L588 WeakPolarHBondContact O-CG 3.41Å; V584-L588 PolarHBondContact O-N 3.34Å; Q585-L588 PolarHBondContact O-N 3.5Å; R586-L588 PolarHBondContact O-N 3.11Å
589V45.1Very low45Very low29 Ų2954 Ų5418%0.17627%0.272CS..Hα-helixtrans-76.3-43.9-177.8172.30000112.5L350 Q585 R586 Y591L350-V589 HydrophobicContact CD1-CG2 3.88Å; Q585-V589 HydrophobicContact CG-CG2 4.47Å; Q585-V589 VanDerWaalsContact O-CG2 3.27Å; Q585-V589 WeakPolarHBondContact O-CG2 3.34Å; Q585-V589 PolarHBondContact O-N 2.6Å; R586-V589 PolarHBondContact O-N 3.15Å; R586-V589 VanDerWaalsContact O-N 3.12Å; V589-Y591 VanDerWaalsContact C-N 3.31Å; V589-Y591 PolarHBondContact O-N 3.33Å
590E43.4Very low45Very low74 Ų7452.3 Ų52.335%0.34626%0.261SS..THydrogen-bonded Turntrans-67.1-30.1-178.6-72.8173.3-171.300112.2R586 N596R586-E590 WeakPolarHBondContact O-CB 3.42Å; R586-E590 WeakPolarHBondContact O-CG 3.46Å; R586-E590 PolarHBondContact O-N 3.3Å; E590-N596 WeakPolarHBondContact O-CB 3.43Å; E590-N596 PolarHBondContact O-ND2 3.3Å
591Y49.1Very low44.8Very low26 Ų2656.8 Ų56.810%0.10228%0.283CS..THydrogen-bonded Turntrans-100.4-13.3-166.6-72.6-102.9000115.7M141 A169 S587 V589 S593 R600M141-Y591 VanDerWaalsContact CE-CB 3.49Å; M141-Y591 HydrophobicContact CE-CD1 3.85Å; M141-Y591 HydrophobicContact CE-CD2 4.01Å; M141-Y591 HydrophobicContact CE-CE1 4.42Å; M141-Y591 HydrophobicContact CE-CG 3.53Å; M141-Y591 HydrophobicContact CG-CE1 4.32Å; M141-Y591 HydrophobicContact SD-CD1 3.08Å; M141-Y591 WeakPolarHBondContact SD-CD1 3.2Å; M141-Y591 HydrophobicContact SD-CD2 3.56Å; M141-Y591 VanDerWaalsContact SD-CD2 3.56Å; M141-Y591 HydrophobicContact SD-CE1 3.1Å; M141-Y591 WeakPolarHBondContact SD-CE1 3.39Å; M141-Y591 HydrophobicContact SD-CE2 3.63Å; M141-Y591 HydrophobicContact SD-CG 3.24Å; A169-Y591 HydrophobicContact CB-CE2 3.48Å; A169-Y591 VanDerWaalsContact CB-CE2 3.48Å; A169-Y591 WeakPolarHBondContact CB-OH 3.4Å; A169-Y591 PolarHBondContact O-OH 3.17Å; S587-Y591 WeakPolarHBondContact O-CB 3.28Å; S587-Y591 WeakPolarHBondContact O-CD2 3.4Å; V589-Y591 VanDerWaalsContact C-N 3.31Å; V589-Y591 PolarHBondContact O-N 3.33Å; Y591-S593 VanDerWaalsContact C-N 3.33Å; Y591-R600 PolarHBondContact OH-NH1 3.46Å; Y591-R600 PolarHBondContact OH-NH2 3.15Å
592G41.2Very low44.6Very low17 Ų1760.2 Ų60.218%0.17529%0.294CS..SBendtrans-89.24.317400000113.9L633G592-L633 WeakPolarHBondContact O-CD2 3.4Å
593S42.9Very low44.5Very low29 Ų2958.2 Ų58.220%0.20329%0.289CS..SBendtrans-92.2133.8170-178.70000110.7Y591 E595 N596 L597Y591-S593 VanDerWaalsContact C-N 3.33Å; S593-E595 PolarHBondContact O-N 2.91Å; S593-N596 PolarHBondContact O-N 2.91Å; S593-L597 PolarHBondContact O-N 3.1Å
594S39.3Very low44.2Very low21 Ų2160 Ų6015%0.14730%0.298CS..Hα-helixtrans-59.6-42.4-179.332.40000113.9N596 L597 I598 L633S594-N596 VanDerWaalsContact C-N 3.3Å; S594-N596 PolarHBondContact O-N 2.68Å; S594-L597 PolarHBondContact O-N 3.37Å; S594-I598 PolarHBondContact O-N 3.17Å; S594-L633 VanDerWaalsContact CB-C 3.47Å; S594-L633 WeakPolarHBondContact CB-O 3.39Å; S594-L633 PolarHBondContact OG-O 3Å
595E42.2Very low44Very low91 Ų9163.4 Ų63.443%0.42532%0.322SS..Hα-helixtrans-62.6-39.2-178.9-68.5-164.815500111.9S593 L597 I598 Q599S593-E595 PolarHBondContact O-N 2.91Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.26Å; E595-I598 PolarHBondContact O-N 2.91Å; E595-Q599 WeakPolarHBondContact O-CB 3.21Å; E595-Q599 PolarHBondContact O-N 2.94Å
596N42.1Very low43.7Very low68 Ų6866.6 Ų66.636%0.36434%0.335SS..Hα-helixtrans-67.5-33179.8-70-23000112E590 S593 S594 R600E590-N596 WeakPolarHBondContact O-CB 3.43Å; E590-N596 PolarHBondContact O-ND2 3.3Å; S593-N596 PolarHBondContact O-N 2.91Å; S594-N596 VanDerWaalsContact C-N 3.3Å; S594-N596 PolarHBondContact O-N 2.68Å; N596-R600 WeakPolarHBondContact O-CB 3.4Å; N596-R600 PolarHBondContact O-N 3.01Å; N596-R600 VanDerWaalsContact O-N 3.09Å
597L43.9Very low43.5Very low47 Ų4771.5 Ų71.525%0.24635%0.353CS..Hα-helixtrans-66.4-43175.7-71.5164.9000111.7S593 S594 E595 R600 D601 L633S593-L597 PolarHBondContact O-N 3.1Å; S594-L597 PolarHBondContact O-N 3.37Å; E595-L597 VanDerWaalsContact C-N 3.33Å; E595-L597 PolarHBondContact O-N 3.26Å; L597-R600 PolarHBondContact O-N 2.99Å; L597-D601 PolarHBondContact O-N 3.13Å; L597-L633 HydrophobicContact CD1-CD1 4.45Å
598I44.7Very low43Very low104 Ų10474.1 Ų74.153%0.53338%0.381SS..Hα-helixtrans-71.3-45.9-178.3-61.4168.7000111.2S594 E595 R600 D601 Y602S594-I598 PolarHBondContact O-N 3.17Å; E595-I598 PolarHBondContact O-N 2.91Å; I598-R600 PolarHBondContact O-N 3.06Å; I598-D601 PolarHBondContact O-N 3.01Å; I598-Y602 PolarHBondContact O-N 3.47Å
599Q43.9Very low42.3Very low120 Ų12077.3 Ų77.356%0.56140%0.398SS*.Hα-helixtrans-66-28178.4-155.4176.82300111.6E595 S603E595-Q599 WeakPolarHBondContact O-CB 3.21Å; E595-Q599 PolarHBondContact O-N 2.94Å; Q599-S603 WeakPolarHBondContact O-CB 3.47Å; Q599-S603 PolarHBondContact O-N 3.25Å; Q599-S603 PolarHBondContact O-OG 3.33Å
600R41.9Very low42Very low59 Ų5983 Ų8322%0.22343%0.426CS..Hα-helixtrans-71.3-50.2173.5-173.5-169.5179.197.3-4.2112.8Y591 N596 L597 I598 Y602 S603 L604 E611Y591-R600 PolarHBondContact OH-NH1 3.46Å; Y591-R600 PolarHBondContact OH-NH2 3.15Å; N596-R600 WeakPolarHBondContact O-CB 3.4Å; N596-R600 PolarHBondContact O-N 3.01Å; N596-R600 VanDerWaalsContact O-N 3.09Å; L597-R600 PolarHBondContact O-N 2.99Å; I598-R600 PolarHBondContact O-N 3.06Å; R600-Y602 PolarHBondContact O-N 3.25Å; R600-S603 VanDerWaalsContact CA-OG 3.3Å; R600-S603 WeakPolarHBondContact CA-OG 3.45Å; R600-S603 PolarHBondContact O-N 3.29Å; R600-S603 PolarHBondContact O-OG 2.78Å; R600-S603 VanDerWaalsContact O-OG 3.11Å; R600-L604 HydrophobicContact CG-CD1 3.73Å; R600-L604 HydrophobicContact CG-CG 3.96Å; R600-L604 WeakPolarHBondContact O-CB 3.46Å; R600-L604 WeakPolarHBondContact O-CG 3.38Å; R600-L604 PolarHBondContact O-N 2.97Å; R600-E611 IonicContact CZ-OE2 3.03Å; R600-E611 IonicContact NH2-OE1 3.36Å; R600-E611 IonicContact NH2-OE2 3.16Å; R600-E611 PolarHBondContact NH2-OE2 3.18Å
601D44.5Very low41.8Very low122 Ų12285 Ų8565%0.65244%0.435SS*.Hα-helixtrans-56.3-38.9176.5-97.5-1.5000111L597 I598 S605L597-D601 PolarHBondContact O-N 3.13Å; I598-D601 PolarHBondContact O-N 3.01Å; D601-S605 WeakPolarHBondContact O-CB 3.4Å; D601-S605 PolarHBondContact O-N 3.24Å; D601-S605 VanDerWaalsContact O-N 3.08Å; D601-S605 PolarHBondContact O-OG 3.35Å
602Y47.2Very low41.2Very low149 Ų14987.1 Ų87.158%0.58446%0.458SS*.Hα-helixtrans-65.6-42.7173.3-175.9-97.2000113.3I598 R600 S605 K606I598-Y602 PolarHBondContact O-N 3.47Å; R600-Y602 PolarHBondContact O-N 3.25Å; Y602-S605 WeakPolarHBondContact CA-OG 3.27Å; Y602-S605 PolarHBondContact O-OG 3.05Å; Y602-K606 HydrophobicContact CE1-CD 4.13Å; Y602-K606 WeakPolarHBondContact O-CB 3.46Å; Y602-K606 PolarHBondContact O-N 3.27Å
603S43.5Very low41.3Very low45 Ų4591 Ų9132%0.31547%0.467SS..Hα-helixtrans-77.9-34.7-17850.80000113.8Q599 R600 R607Q599-S603 WeakPolarHBondContact O-CB 3.47Å; Q599-S603 PolarHBondContact O-N 3.25Å; Q599-S603 PolarHBondContact O-OG 3.33Å; R600-S603 VanDerWaalsContact CA-OG 3.3Å; R600-S603 WeakPolarHBondContact CA-OG 3.45Å; R600-S603 PolarHBondContact O-N 3.29Å; R600-S603 PolarHBondContact O-OG 2.78Å; R600-S603 VanDerWaalsContact O-OG 3.11Å; S603-R607 WeakPolarHBondContact O-CB 3.46Å; S603-R607 VanDerWaalsContact O-CG 3.31Å; S603-R607 WeakPolarHBondContact O-CG 3.28Å; S603-R607 PolarHBondContact O-N 3Å
604L40.2Very low40.8Very low38 Ų3893.7 Ų93.720%0.19949%0.492CS..Hα-helixtrans-66.8-45.8172.7-72.8178.3000111.3R600 K606 R607 G608 I609R600-L604 HydrophobicContact CG-CD1 3.73Å; R600-L604 HydrophobicContact CG-CG 3.96Å; R600-L604 WeakPolarHBondContact O-CB 3.46Å; R600-L604 WeakPolarHBondContact O-CG 3.38Å; R600-L604 PolarHBondContact O-N 2.97Å; L604-K606 VanDerWaalsContact C-N 3.34Å; L604-K606 PolarHBondContact O-N 2.95Å; L604-R607 PolarHBondContact O-N 3.08Å; L604-G608 PolarHBondContact O-N 3.34Å; L604-I609 HydrophobicContact CD2-CB 4.03Å; L604-I609 HydrophobicContact CD2-CG2 4.08Å; L604-I609 PolarHBondContact O-N 3.04Å
605S45.4Very low40.8Very low90 Ų90100.6 Ų100.663%0.62953%0.527SS*.Hα-helixtrans-62.1-40.8174.559.10000112D601 Y602 R607 G608D601-S605 WeakPolarHBondContact O-CB 3.4Å; D601-S605 PolarHBondContact O-N 3.24Å; D601-S605 VanDerWaalsContact O-N 3.08Å; D601-S605 PolarHBondContact O-OG 3.35Å; Y602-S605 WeakPolarHBondContact CA-OG 3.27Å; Y602-S605 PolarHBondContact O-OG 3.05Å; S605-R607 PolarHBondContact O-N 3.3Å; S605-G608 PolarHBondContact O-N 2.96Å
606K42.8Very low40.7Very low156 Ų156101.7 Ų101.768%0.67853%0.532SS*.Hα-helixtrans-67.3-32.4176.3-171.1174.6-177.9177.40113.5Y602 L604Y602-K606 HydrophobicContact CE1-CD 4.13Å; Y602-K606 WeakPolarHBondContact O-CB 3.46Å; Y602-K606 PolarHBondContact O-N 3.27Å; L604-K606 VanDerWaalsContact C-N 3.34Å; L604-K606 PolarHBondContact O-N 2.95Å
607R40.6Very low40.4Very low192 Ų192106.7 Ų106.773%0.72555%0.547SS*.Hα-helixtrans-88.5-8.6178.4-71.2-179.4-179.6-178.32.5113.8S603 L604 S605 I609S603-R607 WeakPolarHBondContact O-CB 3.46Å; S603-R607 VanDerWaalsContact O-CG 3.31Å; S603-R607 WeakPolarHBondContact O-CG 3.28Å; S603-R607 PolarHBondContact O-N 3Å; L604-R607 PolarHBondContact O-N 3.08Å; S605-R607 PolarHBondContact O-N 3.3Å; R607-I609 HydrophobicContact CB-CD1 3.86Å; R607-I609 HydrophobicContact CB-CG1 3.9Å; R607-I609 PolarHBondContact O-N 3.34Å
608G33Very low40.5Very low62 Ų62106.4 Ų106.464%0.63955%0.547SS*.THydrogen-bonded Turntrans64.121.7-175.600000113.5L604 S605 I610L604-G608 PolarHBondContact O-N 3.34Å; S605-G608 PolarHBondContact O-N 2.96Å; G608-I610 PolarHBondContact O-N 3.48Å
609I32Very low40.2Very low85 Ų85106.8 Ų106.844%0.43655%0.547SS..  trans-86.8105.4178.5-62.5171.7000107.3L604 R607 E611L604-I609 HydrophobicContact CD2-CB 4.03Å; L604-I609 HydrophobicContact CD2-CG2 4.08Å; L604-I609 PolarHBondContact O-N 3.04Å; R607-I609 HydrophobicContact CB-CD1 3.86Å; R607-I609 HydrophobicContact CB-CG1 3.9Å; R607-I609 PolarHBondContact O-N 3.34Å; I609-E611 HydrophobicContact CG2-CG 4.28Å
610I39.4Very low40.2Very low149 Ų149104.9 Ų104.976%0.76454%0.544SS*.  trans-89.5100.8168.8-53.9174.7000106.6G608 A612G608-I610 PolarHBondContact O-N 3.48Å; I610-A612 HydrophobicContact CG2-CB 3.63Å; I610-A612 PolarHBondContact O-N 2.98Å
611E37.6Very low40.4Very low115 Ų115109.1 Ų109.154%0.53757%0.567SS.*  trans-74.974.6162.8-77.2-177.1159.200108.4R600 I609R600-E611 IonicContact CZ-OE2 3.03Å; R600-E611 IonicContact NH2-OE1 3.36Å; R600-E611 IonicContact NH2-OE2 3.16Å; R600-E611 PolarHBondContact NH2-OE2 3.18Å; I609-E611 HydrophobicContact CG2-CG 4.28Å
612A36.2Very low40.4Very low70 Ų70106.1 Ų106.158%0.57955%0.549SS*.PPolyproline II helixtrans-92.5125.9172.300000109.5I610 A614I610-A612 HydrophobicContact CG2-CB 3.63Å; I610-A612 PolarHBondContact O-N 2.98Å; A612-A614 PolarHBondContact O-N 3.19Å
613R43.8Very low40.3Very low98 Ų98101 Ų10137%0.3754%0.538SS..PPolyproline II helixtrans-59.6118.8141.2-73.2176.6177.6161.8-0.7105.3S139 D615 E616S139-R613 PolarHBondContact O-NH2 3.42Å; R613-D615 PolarHBondContact O-N 3.01Å; R613-E616 HydrophobicContact CB-CB 4.33Å; R613-E616 WeakPolarHBondContact CD-OE2 3.43Å; R613-E616 IonicContact CZ-OE2 2.7Å; R613-E616 IonicContact NE-OE2 3.76Å; R613-E616 IonicContact NH1-OE1 2.72Å; R613-E616 PolarHBondContact NH1-OE1 3.23Å; R613-E616 IonicContact NH1-OE2 2.65Å; R613-E616 PolarHBondContact NH1-OE2 2.98Å
614A32.7Very low40.4Very low87 Ų87108.1 Ų108.172%0.71956%0.558SS**THydrogen-bonded Turntrans-58.9123.8168.400000107.3A612A612-A614 PolarHBondContact O-N 3.19Å
615D38.5Very low40.6Very low166 Ų166111.1 Ų111.189%0.88857%0.572SS**THydrogen-bonded Turntrans7144.1166.4-50.2-36000119.1R613R613-D615 PolarHBondContact O-N 3.01Å
616E40.6Very low40.6Very low113 Ų113108.3 Ų108.353%0.52855%0.549SS..  trans-107.5122172.9-130.8177.9-146.600114.1R613R613-E616 HydrophobicContact CB-CB 4.33Å; R613-E616 WeakPolarHBondContact CD-OE2 3.43Å; R613-E616 IonicContact CZ-OE2 2.7Å; R613-E616 IonicContact NE-OE2 3.76Å; R613-E616 IonicContact NH1-OE1 2.72Å; R613-E616 PolarHBondContact NH1-OE1 3.23Å; R613-E616 IonicContact NH1-OE2 2.65Å; R613-E616 PolarHBondContact NH1-OE2 2.98Å
617Y36.7Very low40.8Very low173 Ų173107.3 Ų107.368%0.67855%0.547SS*.PPolyproline II helixtrans-78.8130.9165.4172.6-98.8000109.2E619Y617-E619 HydrophobicContact CE1-CG 4.39Å
618V44.8Very low40.9Very low42 Ų42100.7 Ų100.726%0.25553%0.533SS..PPolyproline II helixtrans-98.3124.8173.6-1780000108E622 A623V618-E622 HydrophobicContact CG1-CB 4.01Å; V618-E622 HydrophobicContact CG1-CG 4.2Å; V618-A623 HydrophobicContact CG1-CB 4.35Å
619E38.9Very low41.4Very low112 Ų11299.8 Ų99.852%0.52351%0.513SS..PPolyproline II helixtrans-57.5138.3174.5-82.6-81161.800110.7Y617 E621 E622 A623Y617-E619 HydrophobicContact CE1-CG 4.39Å; E619-E621 PolarHBondContact O-N 3.13Å; E619-E622 HydrophobicContact CB-CB 4.37Å; E619-E622 WeakPolarHBondContact O-CB 3.48Å; E619-E622 PolarHBondContact O-N 2.95Å; E619-A623 PolarHBondContact O-N 3.44Å
620P43.7Very low41.9Very low79 Ų7997.7 Ų97.751%0.51351%0.508SS..Hα-helixtrans-56.9-33.6-178.1-26.134.4000114.4A623 W624P620-A623 PolarHBondContact O-N 3.06Å; P620-W624 PolarHBondContact O-N 2.96Å
621E45.8Very low42Very low148 Ų14893.1 Ų93.169%0.69249%0.493SS*.Hα-helixtrans-67.4-38.8176.9-64.3-178.1176.300111.8E619 W624 M625E619-E621 PolarHBondContact O-N 3.13Å; E621-W624 PolarHBondContact O-N 2.76Å; E621-M625 PolarHBondContact O-N 3.03Å
622E44.5Very low42Very low60 Ų6092.1 Ų92.128%0.2850%0.498SS..Hα-helixtrans-64.9-43.8173.7-169.1-175.1166.200110.2P136 V618 E619 W624 M625 Q626P136-E622 HydrophobicContact CB-CG 4.09Å; P136-E622 HydrophobicContact CG-CG 4.47Å; V618-E622 HydrophobicContact CG1-CB 4.01Å; V618-E622 HydrophobicContact CG1-CG 4.2Å; E619-E622 HydrophobicContact CB-CB 4.37Å; E619-E622 WeakPolarHBondContact O-CB 3.48Å; E619-E622 PolarHBondContact O-N 2.95Å; E622-W624 VanDerWaalsContact C-N 3.33Å; E622-W624 PolarHBondContact O-N 3.05Å; E622-M625 PolarHBondContact O-N 3.17Å; E622-Q626 WeakPolarHBondContact O-CG 3.49Å; E622-Q626 PolarHBondContact O-N 3.07Å; E622-Q626 PolarHBondContact OE1-NE2 3.05Å
623A45.3Very low42.3Very low42 Ų4291.8 Ų91.835%0.34749%0.486SS..Hα-helixtrans-62-37.6176.100000112.9V618 E619 P620 Q626 Q627V618-A623 HydrophobicContact CG1-CB 4.35Å; E619-A623 PolarHBondContact O-N 3.44Å; P620-A623 PolarHBondContact O-N 3.06Å; A623-Q626 WeakPolarHBondContact O-CB 3.34Å; A623-Q626 PolarHBondContact O-N 3.39Å; A623-Q627 PolarHBondContact O-N 3.37Å; A623-Q627 VanDerWaalsContact O-N 3.11Å
624W45.6Very low42.1Very low194 Ų19490 Ų9074%0.73549%0.489SS*.Hα-helixtrans-71.3-40.6178-16543.5000112.3P620 E621 E622 Q626 Q627 A628P620-W624 PolarHBondContact O-N 2.96Å; E621-W624 PolarHBondContact O-N 2.76Å; E622-W624 VanDerWaalsContact C-N 3.33Å; E622-W624 PolarHBondContact O-N 3.05Å; W624-Q626 VanDerWaalsContact C-N 3.33Å; W624-Q626 PolarHBondContact O-N 3.28Å; W624-Q627 PolarHBondContact O-N 2.84Å; W624-A628 PolarHBondContact O-N 3.23Å
625M44.1Very low42.4Very low101 Ų10192.9 Ų92.950%0.49849%0.491SS..Hα-helixtrans-61.6-40.2170.8-85.3-171.4-83.800112P136 E621 E622 Q627 A628 I629P136-M625 HydrophobicContact CG-CB 3.93Å; P136-M625 HydrophobicContact CG-SD 4.47Å; E621-M625 PolarHBondContact O-N 3.03Å; E622-M625 PolarHBondContact O-N 3.17Å; M625-Q627 VanDerWaalsContact C-N 3.28Å; M625-Q627 PolarHBondContact O-N 3.01Å; M625-A628 PolarHBondContact O-N 3.14Å; M625-I629 WeakPolarHBondContact O-CG1 3.4Å; M625-I629 PolarHBondContact O-N 3.4Å
626Q46.5Very low42.3Very low31 Ų3189.9 Ų89.915%0.14548%0.475CS..Hα-helixtrans-56.1-45.1174.4-71.6170.17.900111P136 L137 E622 A623 W624 A630P136-Q626 HydrophobicContact CB-CG 3.54Å; L137-Q626 HydrophobicContact CD2-CB 4.31Å; L137-Q626 HydrophobicContact CD2-CG 3.72Å; L137-Q626 HydrophobicContact CG-CB 4.46Å; L137-Q626 HydrophobicContact CG-CG 3.91Å; E622-Q626 WeakPolarHBondContact O-CG 3.49Å; E622-Q626 PolarHBondContact O-N 3.07Å; E622-Q626 PolarHBondContact OE1-NE2 3.05Å; A623-Q626 WeakPolarHBondContact O-CB 3.34Å; A623-Q626 PolarHBondContact O-N 3.39Å; W624-Q626 VanDerWaalsContact C-N 3.33Å; W624-Q626 PolarHBondContact O-N 3.28Å; Q626-A630 VanDerWaalsContact O-CB 3.29Å; Q626-A630 WeakPolarHBondContact O-CB 3.21Å; Q626-A630 PolarHBondContact O-N 3.22Å
627Q46.5Very low42.1Very low135 Ų13588.5 Ų88.563%0.63149%0.492SS*.Hα-helixtrans-65.6-40.9178.3-169.6175.85.300112.4A623 W624 M625 A631A623-Q627 PolarHBondContact O-N 3.37Å; A623-Q627 VanDerWaalsContact O-N 3.11Å; W624-Q627 PolarHBondContact O-N 2.84Å; M625-Q627 VanDerWaalsContact C-N 3.28Å; M625-Q627 PolarHBondContact O-N 3.01Å; Q627-A631 VanDerWaalsContact O-CB 3.25Å; Q627-A631 WeakPolarHBondContact O-CB 3.4Å; Q627-A631 PolarHBondContact O-N 3.09Å
628A43.4Very low41.7Very low52 Ų5283.6 Ų83.643%0.4349%0.487SS..Hα-helixtrans-66.9-40.4178.700000112.4W624 M625 S632W624-A628 PolarHBondContact O-N 3.23Å; M625-A628 PolarHBondContact O-N 3.14Å; A628-S632 WeakPolarHBondContact O-CB 3.3Å; A628-S632 PolarHBondContact O-N 3.48Å; A628-S632 PolarHBondContact O-OG 3.41Å
629I42.8Very low40.9Very low44 Ų4491.1 Ų91.123%0.22652%0.519CS..Hα-helixtrans-68.6-45.9177.1-67166.1000110.1L135 P136 M625 A631 S632 L633L135-I629 HydrophobicContact CD2-CD1 4.3Å; P136-I629 HydrophobicContact CG-CD1 4.15Å; M625-I629 WeakPolarHBondContact O-CG1 3.4Å; M625-I629 PolarHBondContact O-N 3.4Å; I629-A631 VanDerWaalsContact C-N 3.35Å; I629-A631 PolarHBondContact O-N 2.75Å; I629-S632 PolarHBondContact O-N 3.09Å; I629-S632 VanDerWaalsContact O-N 3.14Å; I629-L633 HydrophobicContact CG2-CD1 3.8Å; I629-L633 HydrophobicContact CG2-CG 4.43Å; I629-L633 VanDerWaalsContact O-CG 3.31Å; I629-L633 WeakPolarHBondContact O-CG 3.42Å; I629-L633 PolarHBondContact O-N 3.41Å
630A42Very low40.5Very low40 Ų4091.1 Ų91.133%0.33152%0.522SS..Hα-helixtrans-59.3-44.3176.200000112Q626 S632 L633 S634Q626-A630 VanDerWaalsContact O-CB 3.29Å; Q626-A630 WeakPolarHBondContact O-CB 3.21Å; Q626-A630 PolarHBondContact O-N 3.22Å; A630-S632 VanDerWaalsContact C-N 3.3Å; A630-S632 PolarHBondContact O-N 3.07Å; A630-L633 PolarHBondContact O-N 3.07Å; A630-S634 VanDerWaalsContact O-CB 3.28Å; A630-S634 WeakPolarHBondContact O-CB 3.48Å; A630-S634 PolarHBondContact O-N 2.62Å; A630-S634 PolarHBondContact O-OG 2.61Å
631A42.1Very low39.8Very low54 Ų5492.3 Ų92.345%0.44653%0.53SS..Hα-helixtrans-63.7-34.7175.800000112.9Q627 I629 L633 S634Q627-A631 VanDerWaalsContact O-CB 3.25Å; Q627-A631 WeakPolarHBondContact O-CB 3.4Å; Q627-A631 PolarHBondContact O-N 3.09Å; I629-A631 VanDerWaalsContact C-N 3.35Å; I629-A631 PolarHBondContact O-N 2.75Å; A631-L633 VanDerWaalsContact C-N 3.34Å; A631-S634 WeakPolarHBondContact CA-OG 3.46Å; A631-S634 PolarHBondContact O-OG 3.36Å
632S38.6Very low39.2Very low93 Ų9391.6 Ų91.665%0.6554%0.535SS*.Hα-helixtrans-72-30.3177.1-55.20000112.1A628 I629 A630A628-S632 WeakPolarHBondContact O-CB 3.3Å; A628-S632 PolarHBondContact O-N 3.48Å; A628-S632 PolarHBondContact O-OG 3.41Å; I629-S632 PolarHBondContact O-N 3.09Å; I629-S632 VanDerWaalsContact O-N 3.14Å; A630-S632 VanDerWaalsContact C-N 3.3Å; A630-S632 PolarHBondContact O-N 3.07Å
633L40.9Very low38.7Very low63 Ų6393 Ų9333%0.3355%0.548SS..Hα-helixtrans-83.7-29.4177.3-66.8168.8000112.3G592 S594 L597 I629 A630 A631 L635G592-L633 WeakPolarHBondContact O-CD2 3.4Å; S594-L633 VanDerWaalsContact CB-C 3.47Å; S594-L633 WeakPolarHBondContact CB-O 3.39Å; S594-L633 PolarHBondContact OG-O 3Å; L597-L633 HydrophobicContact CD1-CD1 4.45Å; I629-L633 HydrophobicContact CG2-CD1 3.8Å; I629-L633 HydrophobicContact CG2-CG 4.43Å; I629-L633 VanDerWaalsContact O-CG 3.31Å; I629-L633 WeakPolarHBondContact O-CG 3.42Å; I629-L633 PolarHBondContact O-N 3.41Å; A630-L633 PolarHBondContact O-N 3.07Å; A631-L633 VanDerWaalsContact C-N 3.34Å; L633-L635 VanDerWaalsContact C-N 3.33Å; L633-L635 PolarHBondContact O-N 2.99Å
634S39.7Very low38.7Very low61 Ų6195.5 Ų95.543%0.42756%0.563SS.*  trans-81.710-171.568.10000116.5A630 A631 D636A630-S634 VanDerWaalsContact O-CB 3.28Å; A630-S634 WeakPolarHBondContact O-CB 3.48Å; A630-S634 PolarHBondContact O-N 2.62Å; A630-S634 PolarHBondContact O-OG 2.61Å; A631-S634 WeakPolarHBondContact CA-OG 3.46Å; A631-S634 PolarHBondContact O-OG 3.36Å; S634-D636 VanDerWaalsContact C-N 3.3Å; S634-D636 PolarHBondContact O-N 3.48Å
635L39.2Very low38.7Very low147 Ų14789.2 Ų89.277%0.7755%0.552SS**  trans-81.879179.2-92.5147.9000110.8L633L633-L635 VanDerWaalsContact C-N 3.33Å; L633-L635 PolarHBondContact O-N 2.99Å
636D36Very low38.6Very low103 Ų10390.1 Ų90.155%0.55156%0.559SS**  trans-65.8127.3170.9-78.4-25.2000112.3S634 A638S634-D636 VanDerWaalsContact C-N 3.3Å; S634-D636 PolarHBondContact O-N 3.48Å; D636-A638 VanDerWaalsContact C-N 3.28Å; D636-A638 PolarHBondContact O-N 2.89Å
637G36.3Very low38.7Very low85 Ų8591.8 Ų91.888%0.87658%0.578SS**  63.6-1.3127.500000121.4E639G637-E639 PolarHBondContact O-N 2.76Å
638A29.1Very low39Very low70 Ų7087.9 Ų87.958%0.57957%0.569SS**  trans-80.5113.9172.400000109.4D636 I640D636-A638 VanDerWaalsContact C-N 3.28Å; D636-A638 PolarHBondContact O-N 2.89Å; A638-I640 HydrophobicContact CB-CD1 4.03Å; A638-I640 HydrophobicContact CB-CG1 3.73Å; A638-I640 PolarHBondContact O-N 2.9Å
639E28.1Very low39.3Very low199 Ų19992.7 Ų92.793%0.9358%0.577SS**  trans-58.974.9160.4-70.9-175.3163.600108.9G637 P641G637-E639 PolarHBondContact O-N 2.76Å; E639-P641 WeakPolarHBondContact O-CD 3.49Å
640I30.3Very low40Very low112 Ų11296.6 Ų96.657%0.57460%0.596SS**  trans-88.6108.3169.8-57.8178.6000104.7A638 V642A638-I640 HydrophobicContact CB-CD1 4.03Å; A638-I640 HydrophobicContact CB-CG1 3.73Å; A638-I640 PolarHBondContact O-N 2.9Å; I640-V642 PolarHBondContact O-N 3.16Å; I640-V642 VanDerWaalsContact O-N 3.12Å
641P29.6Very low41.2Very low105 Ų105100.6 Ų100.668%0.68261%0.606SS**  trans-56.3123-174.821.8-31.3000108.7E639 T643E639-P641 WeakPolarHBondContact O-CD 3.49Å; P641-T643 WeakPolarHBondContact O-CA 3.33Å; P641-T643 VanDerWaalsContact O-CB 3.28Å; P641-T643 WeakPolarHBondContact O-CB 3.41Å; P641-T643 WeakPolarHBondContact O-CG2 3.34Å; P641-T643 PolarHBondContact O-N 3.16Å; P641-T643 PolarHBondContact O-OG1 3.41Å
642V32.8Very low42.4Very low132 Ų132100.3 Ų100.380%0.860%0.604SS**SBendtrans-5.971.6177.1-166.80000113.5I640I640-V642 PolarHBondContact O-N 3.16Å; I640-V642 VanDerWaalsContact O-N 3.12Å
643T34.6Very low43.7Very low91 Ų91100.1 Ų100.156%0.55860%0.595SS**SBendtrans-151.6132.6179.353.30000109P641 A645P641-T643 WeakPolarHBondContact O-CA 3.33Å; P641-T643 VanDerWaalsContact O-CB 3.28Å; P641-T643 WeakPolarHBondContact O-CB 3.41Å; P641-T643 WeakPolarHBondContact O-CG2 3.34Å; P641-T643 PolarHBondContact O-N 3.16Å; P641-T643 PolarHBondContact O-OG1 3.41Å; T643-A645 VanDerWaalsContact C-N 3.34Å; T643-A645 PolarHBondContact O-N 3.35Å
644S45.4Very low45.2Very low94 Ų94100.9 Ų100.966%0.65760%0.597SS**SBendtrans68.5-46.6170.3-170.70000119A648S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 3Å
645A44Very low46.8Very low62 Ų62102.6 Ų102.651%0.51260%0.598SS.*Hα-helixtrans-75.7-50.7-170.200000113.3T643 A647 A648 Y649T643-A645 VanDerWaalsContact C-N 3.34Å; T643-A645 PolarHBondContact O-N 3.35Å; A645-A647 PolarHBondContact O-N 2.85Å; A645-A648 WeakPolarHBondContact O-CB 3.16Å; A645-A648 PolarHBondContact O-N 3.29Å; A645-Y649 PolarHBondContact O-N 3.32Å
646D43.1Very low48.2Very low119 Ų11998.7 Ų98.764%0.63658%0.583SS**Hα-helixtrans-62.7-34171.7-73.8-18000111.4A648 M650D646-A648 VanDerWaalsContact C-N 3.34Å; D646-M650 WeakPolarHBondContact O-CB 3.47Å; D646-M650 WeakPolarHBondContact O-CG 3.49Å; D646-M650 PolarHBondContact O-N 3.44Å
647A48.6Very low50.1Low66 Ų6699.2 Ų99.255%0.54558%0.577SS.*Hα-helixtrans-66.1-37.4173.600000111.6A645 K651A645-A647 PolarHBondContact O-N 2.85Å; A647-K651 WeakPolarHBondContact O-CB 3.47Å; A647-K651 PolarHBondContact O-N 3.28Å
648A52.1Low52.1Low53 Ų5398.5 Ų98.544%0.43855%0.553SS.*Hα-helixtrans-73.3-38.5177.100000112S644 A645 D646 K651 A652S644-A648 WeakPolarHBondContact O-CB 3.35Å; S644-A648 PolarHBondContact O-N 3Å; A645-A648 WeakPolarHBondContact O-CB 3.16Å; A645-A648 PolarHBondContact O-N 3.29Å; D646-A648 VanDerWaalsContact C-N 3.34Å; A648-K651 CarbonylContact O-C 3.28Å; A648-K651 PolarHBondContact O-N 2.97Å; A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 3.26Å
649Y49.1Very low54.5Low153 Ų153101.8 Ų101.860%0.656%0.556SS**Hα-helixtrans-70.5-45.5176.1-179.5-104.5000112A645 K651 A652 L653A645-Y649 PolarHBondContact O-N 3.32Å; Y649-K651 PolarHBondContact O-N 3.24Å; Y649-A652 PolarHBondContact O-N 3.35Å; Y649-A652 VanDerWaalsContact O-N 3.13Å; Y649-L653 HydrophobicContact CD1-CD1 4.06Å; Y649-L653 HydrophobicContact CE1-CD1 3.44Å; Y649-L653 VanDerWaalsContact CE1-CD1 3.44Å; Y649-L653 HydrophobicContact CE1-CG 4.2Å; Y649-L653 PolarHBondContact O-N 2.85Å
650M58.9Low56.7Low127 Ų12798.8 Ų98.863%0.62654%0.542SS*.Hα-helixtrans-62.6-35171.2-70.1-66.2-70.400111.1D646 E654D646-M650 WeakPolarHBondContact O-CB 3.47Å; D646-M650 WeakPolarHBondContact O-CG 3.49Å; D646-M650 PolarHBondContact O-N 3.44Å; M650-E654 WeakPolarHBondContact O-CB 3.36Å; M650-E654 PolarHBondContact O-N 2.87Å
651K66.9Low59.2Low123 Ų12396.8 Ų96.854%0.53553%0.531SS..Hα-helixtrans-68.5-35.7172.8-177.8171.5-174.6-76.70112.2A647 A648 Y649 E654 E655A647-K651 WeakPolarHBondContact O-CB 3.47Å; A647-K651 PolarHBondContact O-N 3.28Å; A648-K651 CarbonylContact O-C 3.28Å; A648-K651 PolarHBondContact O-N 2.97Å; Y649-K651 PolarHBondContact O-N 3.24Å; K651-E654 CarbonylContact O-C 3.54Å; K651-E654 PolarHBondContact O-N 3.38Å; K651-E655 WeakPolarHBondContact CE-OE1 3.24Å; K651-E655 HydrophobicContact CG-CG 4.36Å; K651-E655 WeakPolarHBondContact CG-OE1 3.27Å; K651-E655 IonicContact NZ-OE1 3.18Å; K651-E655 PolarHBondContact NZ-OE1 3.14Å; K651-E655 WeakPolarHBondContact O-CA 3.35Å; K651-E655 WeakPolarHBondContact O-CB 3.34Å; K651-E655 WeakPolarHBondContact O-CG 3.23Å; K651-E655 PolarHBondContact O-N 2.92Å
652A67.4Low61.8Low49 Ų4996.7 Ų96.741%0.40552%0.524SS..Hα-helixtrans-71.3-40.6176.300000112.1A648 Y649 E655 S656A648-A652 WeakPolarHBondContact O-CB 3.49Å; A648-A652 PolarHBondContact O-N 3.26Å; Y649-A652 PolarHBondContact O-N 3.35Å; Y649-A652 VanDerWaalsContact O-N 3.13Å; A652-E655 PolarHBondContact O-N 2.79Å; A652-S656 WeakPolarHBondContact O-CB 3.33Å; A652-S656 PolarHBondContact O-N 3.22Å
653L66.4Low64Low88 Ų8894.5 Ų94.546%0.46151%0.505SS..Hα-helixtrans-64.5-42.1171.4-76.2176.5000111.3Y649 S656 R657Y649-L653 HydrophobicContact CD1-CD1 4.06Å; Y649-L653 HydrophobicContact CE1-CD1 3.44Å; Y649-L653 VanDerWaalsContact CE1-CD1 3.44Å; Y649-L653 HydrophobicContact CE1-CG 4.2Å; Y649-L653 PolarHBondContact O-N 2.85Å; L653-S656 PolarHBondContact O-N 2.94Å; L653-R657 VanDerWaalsContact O-CB 3.27Å; L653-R657 WeakPolarHBondContact O-CB 3.15Å; L653-R657 PolarHBondContact O-N 3.19Å
654E71.6Confident66.2Low79 Ų7994.7 Ų94.737%0.36950%0.499SS..Hα-helixtrans-68.4-36.5175.3-172.660.7-163.500111.5M650 K651 R657 I658M650-E654 WeakPolarHBondContact O-CB 3.36Å; M650-E654 PolarHBondContact O-N 2.87Å; K651-E654 CarbonylContact O-C 3.54Å; K651-E654 PolarHBondContact O-N 3.38Å; E654-R657 PolarHBondContact O-N 3.5Å; E654-R657 IonicContact OE1-CZ 3.61Å; E654-R657 IonicContact OE1-NE 2.72Å; E654-R657 PolarHBondContact OE1-NE 3.28Å; E654-R657 IonicContact OE1-NH2 2.61Å; E654-R657 PolarHBondContact OE1-NH2 3.33Å; E654-R657 IonicContact OE2-CZ 2.71Å; E654-R657 IonicContact OE2-NE 3.64Å; E654-R657 PolarHBondContact OE2-NE 2.76Å; E654-R657 IonicContact OE2-NH2 3.1Å; E654-I658 HydrophobicContact CG-CD1 3.83Å; E654-I658 HydrophobicContact CG-CG1 4.38Å; E654-I658 VanDerWaalsContact O-CB 3.23Å; E654-I658 WeakPolarHBondContact O-CB 3.26Å; E654-I658 WeakPolarHBondContact O-CD1 3.34Å; E654-I658 WeakPolarHBondContact O-CG1 3.4Å; E654-I658 PolarHBondContact O-N 2.94Å
655E74Confident68Low97 Ų9795.5 Ų95.545%0.45349%0.491SS..Hα-helixtrans-65.2-43.8173.6-82.9171.1-172.200110.9K651 A652 I658 E659K651-E655 WeakPolarHBondContact CE-OE1 3.24Å; K651-E655 HydrophobicContact CG-CG 4.36Å; K651-E655 WeakPolarHBondContact CG-OE1 3.27Å; K651-E655 IonicContact NZ-OE1 3.18Å; K651-E655 PolarHBondContact NZ-OE1 3.14Å; K651-E655 WeakPolarHBondContact O-CA 3.35Å; K651-E655 WeakPolarHBondContact O-CB 3.34Å; K651-E655 WeakPolarHBondContact O-CG 3.23Å; K651-E655 PolarHBondContact O-N 2.92Å; A652-E655 PolarHBondContact O-N 2.79Å; E655-I658 CarbonylContact O-C 3.54Å; E655-I658 PolarHBondContact O-N 3Å; E655-E659 VanDerWaalsContact O-CB 3.22Å; E655-E659 WeakPolarHBondContact O-CB 3.45Å; E655-E659 PolarHBondContact O-N 3.5Å
656S67Low69.9Low66 Ų6699.4 Ų99.446%0.46249%0.492SS..Hα-helixtrans-64.9-39.7175-1750000111.8A652 L653 E659 Q660A652-S656 WeakPolarHBondContact O-CB 3.33Å; A652-S656 PolarHBondContact O-N 3.22Å; L653-S656 PolarHBondContact O-N 2.94Å; S656-E659 PolarHBondContact O-N 2.99Å; S656-Q660 PolarHBondContact O-N 3.27Å
657R77Confident71.6Confident113 Ų113100 Ų10043%0.42649%0.486SS..Hα-helixtrans-64.8-44173.7-168.5-176.583.779.710.4111.5L653 E654 E659 Q660 E661L653-R657 VanDerWaalsContact O-CB 3.27Å; L653-R657 WeakPolarHBondContact O-CB 3.15Å; L653-R657 PolarHBondContact O-N 3.19Å; E654-R657 PolarHBondContact O-N 3.5Å; E654-R657 IonicContact OE1-CZ 3.61Å; E654-R657 IonicContact OE1-NE 2.72Å; E654-R657 PolarHBondContact OE1-NE 3.28Å; E654-R657 IonicContact OE1-NH2 2.61Å; E654-R657 PolarHBondContact OE1-NH2 3.33Å; E654-R657 IonicContact OE2-CZ 2.71Å; E654-R657 IonicContact OE2-NE 3.64Å; E654-R657 PolarHBondContact OE2-NE 2.76Å; E654-R657 IonicContact OE2-NH2 3.1Å; R657-E659 VanDerWaalsContact C-N 3.35Å; R657-Q660 PolarHBondContact O-N 3.02Å; R657-E661 IonicContact CZ-OE1 3.91Å; R657-E661 IonicContact NH1-OE1 2.73Å; R657-E661 PolarHBondContact NH1-OE1 2.92Å; R657-E661 IonicContact NH2-OE1 2.88Å; R657-E661 WeakPolarHBondContact O-CB 3.49Å; R657-E661 WeakPolarHBondContact O-CG 3.36Å; R657-E661 PolarHBondContact O-N 3.28Å
658I78.8Confident73.3Confident71 Ų71102.9 Ų102.936%0.36448%0.483SS..Hα-helixtrans-65.9-38.6175.9-73.7167.4000110.5E654 E655 E661 L662E654-I658 HydrophobicContact CG-CD1 3.83Å; E654-I658 HydrophobicContact CG-CG1 4.38Å; E654-I658 VanDerWaalsContact O-CB 3.23Å; E654-I658 WeakPolarHBondContact O-CB 3.26Å; E654-I658 WeakPolarHBondContact O-CD1 3.34Å; E654-I658 WeakPolarHBondContact O-CG1 3.4Å; E654-I658 PolarHBondContact O-N 2.94Å; E655-I658 CarbonylContact O-C 3.54Å; E655-I658 PolarHBondContact O-N 3Å; I658-E661 CarbonylContact O-C 3.58Å; I658-E661 PolarHBondContact O-N 2.74Å; I658-L662 HydrophobicContact CG2-CD1 3.72Å; I658-L662 HydrophobicContact CG2-CG 4.21Å; I658-L662 VanDerWaalsContact O-CB 3.22Å; I658-L662 WeakPolarHBondContact O-CB 3.45Å; I658-L662 VanDerWaalsContact O-CG 3.32Å; I658-L662 WeakPolarHBondContact O-CG 3.31Å; I658-L662 PolarHBondContact O-N 2.92Å
659E78.8Confident74.8Confident138 Ų138102.8 Ų102.865%0.64548%0.482SS*.Hα-helixtrans-67.6-41.5177.2-171167.5-147.400110.7E655 S656 R657 L662 E663E655-E659 VanDerWaalsContact O-CB 3.22Å; E655-E659 WeakPolarHBondContact O-CB 3.45Å; E655-E659 PolarHBondContact O-N 3.5Å; S656-E659 PolarHBondContact O-N 2.99Å; R657-E659 VanDerWaalsContact C-N 3.35Å; E659-L662 PolarHBondContact O-N 3.12Å; E659-E663 VanDerWaalsContact O-CB 3.26Å; E659-E663 WeakPolarHBondContact O-CB 3.18Å; E659-E663 PolarHBondContact O-N 3.18Å
660Q75.1Confident76.3Confident136 Ų13699.2 Ų99.264%0.63647%0.471SS*.Hα-helixtrans-60.2-45.4168.7-91.6-173.1-18.300112.1S656 R657 L662 E663 E664S656-Q660 PolarHBondContact O-N 3.27Å; R657-Q660 PolarHBondContact O-N 3.02Å; Q660-L662 VanDerWaalsContact C-N 3.33Å; Q660-L662 PolarHBondContact O-N 2.94Å; Q660-E663 PolarHBondContact O-N 3.34Å; Q660-E664 WeakPolarHBondContact O-CB 3.43Å; Q660-E664 WeakPolarHBondContact O-CG 3.36Å; Q660-E664 PolarHBondContact O-N 3.15Å
661E82.4Confident77.3Confident71 Ų7196.8 Ų96.833%0.33246%0.46SS..Hα-helixtrans-66.2-34.6176.8-78.7-174.2-170.800112.5R657 I658 K665R657-E661 IonicContact CZ-OE1 3.91Å; R657-E661 IonicContact NH1-OE1 2.73Å; R657-E661 PolarHBondContact NH1-OE1 2.92Å; R657-E661 IonicContact NH2-OE1 2.88Å; R657-E661 WeakPolarHBondContact O-CB 3.49Å; R657-E661 WeakPolarHBondContact O-CG 3.36Å; R657-E661 PolarHBondContact O-N 3.28Å; I658-E661 CarbonylContact O-C 3.58Å; I658-E661 PolarHBondContact O-N 2.74Å; E661-K665 VanDerWaalsContact O-CB 3.3Å; E661-K665 WeakPolarHBondContact O-CB 3.46Å; E661-K665 VanDerWaalsContact O-CG 3.23Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.07Å
662L83.5Confident78.2Confident102 Ų10296.3 Ų96.353%0.53446%0.46SS..Hα-helixtrans-70.9-42.3175.8-86167.1000110.7I658 E659 Q660 E664 K665 R666I658-L662 HydrophobicContact CG2-CD1 3.72Å; I658-L662 HydrophobicContact CG2-CG 4.21Å; I658-L662 VanDerWaalsContact O-CB 3.22Å; I658-L662 WeakPolarHBondContact O-CB 3.45Å; I658-L662 VanDerWaalsContact O-CG 3.32Å; I658-L662 WeakPolarHBondContact O-CG 3.31Å; I658-L662 PolarHBondContact O-N 2.92Å; E659-L662 PolarHBondContact O-N 3.12Å; Q660-L662 VanDerWaalsContact C-N 3.33Å; Q660-L662 PolarHBondContact O-N 2.94Å; L662-E664 VanDerWaalsContact C-N 3.34Å; L662-K665 CarbonylContact O-C 3.54Å; L662-K665 PolarHBondContact O-N 3.22Å; L662-R666 WeakPolarHBondContact O-CB 3.2Å; L662-R666 PolarHBondContact O-N 2.85Å
663E78.8Confident78.8Confident86 Ų8699.6 Ų99.640%0.40247%0.467SS..Hα-helixtrans-65.7-40174.6-174.359-15700110.2E659 Q660 R666 R667E659-E663 VanDerWaalsContact O-CB 3.26Å; E659-E663 WeakPolarHBondContact O-CB 3.18Å; E659-E663 PolarHBondContact O-N 3.18Å; Q660-E663 PolarHBondContact O-N 3.34Å; E663-R666 PolarHBondContact O-N 3.23Å; E663-R666 IonicContact OE2-NH1 3.37Å; E663-R667 WeakPolarHBondContact O-CB 3.37Å; E663-R667 WeakPolarHBondContact O-CG 3.36Å; E663-R667 PolarHBondContact O-N 3.26Å
664E80.6Confident79.1Confident96 Ų9699 Ų9945%0.44946%0.463SS..Hα-helixtrans-63.8-40.6170.6-79.1-171.8172.100112.9Q660 L662 R668Q660-E664 WeakPolarHBondContact O-CB 3.43Å; Q660-E664 WeakPolarHBondContact O-CG 3.36Å; Q660-E664 PolarHBondContact O-N 3.15Å; L662-E664 VanDerWaalsContact C-N 3.34Å; E664-R668 WeakPolarHBondContact O-CB 3.47Å; E664-R668 PolarHBondContact O-N 2.78Å
665K84.3Confident79.5Confident111 Ų11197.9 Ų97.948%0.48347%0.468SS..Hα-helixtrans-68.4-36.3174.2-81.3170.8-176.6162.90112E661 L662 R668 A669E661-K665 VanDerWaalsContact O-CB 3.3Å; E661-K665 WeakPolarHBondContact O-CB 3.46Å; E661-K665 VanDerWaalsContact O-CG 3.23Å; E661-K665 WeakPolarHBondContact O-CG 3.12Å; E661-K665 PolarHBondContact O-N 3.07Å; L662-K665 CarbonylContact O-C 3.54Å; L662-K665 PolarHBondContact O-N 3.22Å; K665-R668 CarbonylContact O-C 3.58Å; K665-R668 PolarHBondContact O-N 3.37Å; K665-A669 VanDerWaalsContact O-CB 3.28Å; K665-A669 WeakPolarHBondContact O-CB 3.29Å; K665-A669 PolarHBondContact O-N 2.85Å
666R84.4Confident79.8Confident143 Ų143101.4 Ų101.454%0.5448%0.477SS..Hα-helixtrans-66.9-47.7177-175.9-175.6160.7-163-3.4109.2L662 E663 R668 A669 E670L662-R666 WeakPolarHBondContact O-CB 3.2Å; L662-R666 PolarHBondContact O-N 2.85Å; E663-R666 PolarHBondContact O-N 3.23Å; E663-R666 IonicContact OE2-NH1 3.37Å; R666-R668 VanDerWaalsContact C-N 3.29Å; R666-R668 PolarHBondContact O-N 2.86Å; R666-A669 PolarHBondContact O-N 3.46Å; R666-E670 HydrophobicContact CG-CG 4.44Å; R666-E670 WeakPolarHBondContact CG-OE1 3.45Å; R666-E670 IonicContact CZ-OE1 2.71Å; R666-E670 IonicContact NE-OE1 3.6Å; R666-E670 PolarHBondContact NE-OE1 3.28Å; R666-E670 IonicContact NH2-OE1 3.73Å; R666-E670 PolarHBondContact NH2-OE1 3.45Å; R666-E670 VanDerWaalsContact O-CB 3.31Å; R666-E670 WeakPolarHBondContact O-CB 3.02Å; R666-E670 VanDerWaalsContact O-CG 3.23Å; R666-E670 WeakPolarHBondContact O-CG 3.39Å; R666-E670 PolarHBondContact O-N 2.98Å
667R77.5Confident80.4Confident132 Ų132102.7 Ų102.750%0.49848%0.478SS..Hα-helixtrans-55.7-43.8169.1-73.9-162.8-54.6-155.4-0.6111.7E663 E670 D671E663-R667 WeakPolarHBondContact O-CB 3.37Å; E663-R667 WeakPolarHBondContact O-CG 3.36Å; E663-R667 PolarHBondContact O-N 3.26Å; R667-E670 PolarHBondContact O-N 3.09Å; R667-D671 VanDerWaalsContact O-CB 3.3Å; R667-D671 WeakPolarHBondContact O-CB 3.16Å; R667-D671 PolarHBondContact O-N 3.21Å
668R85.2Confident79.9Confident127 Ų127102.7 Ų102.748%0.47949%0.485SS..Hα-helixtrans-66.6-38.4177.9-167.2-177.8-61.2127.15.1113E664 K665 R666 D671 E672E664-R668 WeakPolarHBondContact O-CB 3.47Å; E664-R668 PolarHBondContact O-N 2.78Å; K665-R668 CarbonylContact O-C 3.58Å; K665-R668 PolarHBondContact O-N 3.37Å; R666-R668 VanDerWaalsContact C-N 3.29Å; R666-R668 PolarHBondContact O-N 2.86Å; R668-D671 WeakPolarHBondContact O-CB 3.4Å; R668-D671 PolarHBondContact O-N 3.34Å; R668-E672 WeakPolarHBondContact O-CB 3.25Å; R668-E672 WeakPolarHBondContact O-CG 3.43Å; R668-E672 PolarHBondContact O-N 3Å
669A83.2Confident79.9Confident51 Ų51104.2 Ų104.242%0.42149%0.491SS..Hα-helixtrans-71.5-40.7177.700000111.2K665 R666 D671 E672 E673K665-A669 VanDerWaalsContact O-CB 3.28Å; K665-A669 WeakPolarHBondContact O-CB 3.29Å; K665-A669 PolarHBondContact O-N 2.85Å; R666-A669 PolarHBondContact O-N 3.46Å; A669-D671 VanDerWaalsContact C-N 3.3Å; A669-E672 PolarHBondContact O-N 3.23Å; A669-E673 VanDerWaalsContact O-CB 3.29Å; A669-E673 WeakPolarHBondContact O-CB 3.11Å; A669-E673 PolarHBondContact O-N 3.02Å
670E80.5Confident79.9Confident78 Ų78102.8 Ų102.836%0.36449%0.487SS..Hα-helixtrans-59.6-43.4169.7-71.8172.7-177.100109.7R666 R667 E673 L674R666-E670 HydrophobicContact CG-CG 4.44Å; R666-E670 WeakPolarHBondContact CG-OE1 3.45Å; R666-E670 IonicContact CZ-OE1 2.71Å; R666-E670 IonicContact NE-OE1 3.6Å; R666-E670 PolarHBondContact NE-OE1 3.28Å; R666-E670 IonicContact NH2-OE1 3.73Å; R666-E670 PolarHBondContact NH2-OE1 3.45Å; R666-E670 VanDerWaalsContact O-CB 3.31Å; R666-E670 WeakPolarHBondContact O-CB 3.02Å; R666-E670 VanDerWaalsContact O-CG 3.23Å; R666-E670 WeakPolarHBondContact O-CG 3.39Å; R666-E670 PolarHBondContact O-N 2.98Å; R667-E670 PolarHBondContact O-N 3.09Å; E670-E673 PolarHBondContact O-N 2.9Å; E670-L674 WeakPolarHBondContact O-CB 3.37Å; E670-L674 WeakPolarHBondContact O-CD1 3.32Å; E670-L674 WeakPolarHBondContact O-CG 3.45Å; E670-L674 PolarHBondContact O-N 2.92Å
671D79.5Confident79.8Confident75 Ų7599.3 Ų99.340%0.40148%0.478SS..Hα-helixtrans-62.8-40.9174.1-70.8-24.6000112.4R667 R668 A669 A675R667-D671 VanDerWaalsContact O-CB 3.3Å; R667-D671 WeakPolarHBondContact O-CB 3.16Å; R667-D671 PolarHBondContact O-N 3.21Å; R668-D671 WeakPolarHBondContact O-CB 3.4Å; R668-D671 PolarHBondContact O-N 3.34Å; A669-D671 VanDerWaalsContact C-N 3.3Å; D671-A675 WeakPolarHBondContact O-CB 3.49Å; D671-A675 PolarHBondContact O-N 3.41Å
672E85.8Confident79.4Confident114 Ų114100.7 Ų100.753%0.53349%0.491SS..Hα-helixtrans-71.9-38.7177.6-78.7176.5-165.500113.1R668 A669 A675 R676R668-E672 WeakPolarHBondContact O-CB 3.25Å; R668-E672 WeakPolarHBondContact O-CG 3.43Å; R668-E672 PolarHBondContact O-N 3Å; A669-E672 PolarHBondContact O-N 3.23Å; E672-A675 PolarHBondContact O-N 2.79Å; E672-R676 PolarHBondContact O-N 3.29Å
673E81.3Confident78.7Confident118 Ų118102.6 Ų102.655%0.55150%0.496SS*.Hα-helixtrans-66.5-45.1174.4-175.4174-170.900110.2A669 E670 A675 R676 I677A669-E673 VanDerWaalsContact O-CB 3.29Å; A669-E673 WeakPolarHBondContact O-CB 3.11Å; A669-E673 PolarHBondContact O-N 3.02Å; E670-E673 PolarHBondContact O-N 2.9Å; E673-A675 VanDerWaalsContact C-N 3.32Å; E673-A675 PolarHBondContact O-N 3.22Å; E673-R676 PolarHBondContact O-N 3.42Å; E673-I677 HydrophobicContact CG-CD1 3.99Å; E673-I677 VanDerWaalsContact O-CG1 3.3Å; E673-I677 WeakPolarHBondContact O-CG1 3.4Å; E673-I677 PolarHBondContact O-N 3.28Å
674L72.5Confident77.9Confident74 Ų74106.8 Ų106.839%0.38752%0.515SS..Hα-helixtrans-58.2-44.1171.5-76.8166.1000111.1F270 E670 R676 I677 L678F270-L674 HydrophobicContact CE1-CD1 4.19Å; F270-L674 HydrophobicContact CZ-CD1 3.95Å; E670-L674 WeakPolarHBondContact O-CB 3.37Å; E670-L674 WeakPolarHBondContact O-CD1 3.32Å; E670-L674 WeakPolarHBondContact O-CG 3.45Å; E670-L674 PolarHBondContact O-N 2.92Å; L674-R676 PolarHBondContact O-N 3.24Å; L674-I677 PolarHBondContact O-N 3.02Å; L674-L678 WeakPolarHBondContact O-CB 3.45Å; L674-L678 WeakPolarHBondContact O-CD1 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.05Å
675A80.2Confident76.4Confident56 Ų56113.3 Ų113.346%0.46354%0.542SS..Hα-helixtrans-60.4-41.5175.700000112.4D671 E672 E673 L678 E679D671-A675 WeakPolarHBondContact O-CB 3.49Å; D671-A675 PolarHBondContact O-N 3.41Å; E672-A675 PolarHBondContact O-N 2.79Å; E673-A675 VanDerWaalsContact C-N 3.32Å; E673-A675 PolarHBondContact O-N 3.22Å; A675-L678 PolarHBondContact O-N 3.2Å; A675-E679 PolarHBondContact O-N 3.31Å
676R78.9Confident76Confident172 Ų172113.4 Ų113.465%0.64955%0.545SS*.Hα-helixtrans-67.4-43175.4-86.5-161.8-82.3-175.1-6.9113.3E672 E673 L674 L678 E679 L680E672-R676 PolarHBondContact O-N 3.29Å; E673-R676 PolarHBondContact O-N 3.42Å; L674-R676 PolarHBondContact O-N 3.24Å; R676-L678 VanDerWaalsContact C-N 3.26Å; R676-L678 PolarHBondContact O-N 2.7Å; R676-E679 PolarHBondContact O-N 3.07Å; R676-L680 WeakPolarHBondContact O-CG 2.97Å; R676-L680 PolarHBondContact O-N 3.36Å
677I80.1Confident75.5Confident93 Ų93111.8 Ų111.848%0.47755%0.545SS..Hα-helixtrans-60.4-40.9175.8-69.3167.7000110E673 L674 L680 S681E673-I677 HydrophobicContact CG-CD1 3.99Å; E673-I677 VanDerWaalsContact O-CG1 3.3Å; E673-I677 WeakPolarHBondContact O-CG1 3.4Å; E673-I677 PolarHBondContact O-N 3.28Å; L674-I677 PolarHBondContact O-N 3.02Å; I677-L680 PolarHBondContact O-N 3.31Å; I677-S681 WeakPolarHBondContact O-CB 3.47Å; I677-S681 PolarHBondContact O-N 3.4Å
678L67.6Low75.4Confident112 Ų112110.7 Ų110.759%0.58655%0.548SS*.Hα-helixtrans-66.4-42.6176.5-71.5166.7000112.1L674 A675 R676 L680 S681 T682L674-L678 WeakPolarHBondContact O-CB 3.45Å; L674-L678 WeakPolarHBondContact O-CD1 3.25Å; L674-L678 WeakPolarHBondContact O-CG 3.4Å; L674-L678 PolarHBondContact O-N 3.05Å; A675-L678 PolarHBondContact O-N 3.2Å; R676-L678 VanDerWaalsContact C-N 3.26Å; R676-L678 PolarHBondContact O-N 2.7Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L678-L680 PolarHBondContact O-N 3.23Å; L678-S681 PolarHBondContact O-N 3.34Å; L678-T682 WeakPolarHBondContact O-CG2 3.49Å; L678-T682 PolarHBondContact O-N 2.91Å; L678-T682 PolarHBondContact O-OG1 3.47Å
679E78.3Confident74.8Confident103 Ų103109.8 Ų109.848%0.48155%0.552SS.*Hα-helixtrans-62.2-40.4176.5-157-167.3153.700111.7A675 R676 T682 K683A675-E679 PolarHBondContact O-N 3.31Å; R676-E679 PolarHBondContact O-N 3.07Å; E679-T682 PolarHBondContact O-N 3.1Å; E679-T682 PolarHBondContact O-OG1 2.96Å; E679-K683 PolarHBondContact O-N 2.68Å; E679-K683 IonicContact OE1-NZ 3.9Å; E679-K683 PolarHBondContact OE1-NZ 3.21Å
680L78.1Confident74.3Confident108 Ų108113.4 Ų113.457%0.56556%0.56SS**Hα-helixtrans-63.3-45.2173.1-75.4163.1000111.8R676 I677 L678 T682 K683 E684R676-L680 WeakPolarHBondContact O-CG 2.97Å; R676-L680 PolarHBondContact O-N 3.36Å; I677-L680 PolarHBondContact O-N 3.31Å; L678-L680 VanDerWaalsContact C-N 3.33Å; L678-L680 PolarHBondContact O-N 3.23Å; L680-T682 PolarHBondContact O-N 2.92Å; L680-K683 PolarHBondContact O-N 2.93Å; L680-E684 PolarHBondContact O-N 3.02Å
681S73Confident73.9Confident64 Ų64115.8 Ų115.845%0.44857%0.573SS.*Hα-helixtrans-61.9-30.2177.2-178.50000113I677 L678I677-S681 WeakPolarHBondContact O-CB 3.47Å; I677-S681 PolarHBondContact O-N 3.4Å; L678-S681 PolarHBondContact O-N 3.34Å
682T73.9Confident73.5Confident99 Ų99118.7 Ų118.761%0.60759%0.585SS**Hα-helixtrans-79.1-21.6173.958.60000114.3L678 E679 L680L678-T682 WeakPolarHBondContact O-CG2 3.49Å; L678-T682 PolarHBondContact O-N 2.91Å; L678-T682 PolarHBondContact O-OG1 3.47Å; E679-T682 PolarHBondContact O-N 3.1Å; E679-T682 PolarHBondContact O-OG1 2.96Å; L680-T682 PolarHBondContact O-N 2.92Å
683K68.4Low72.6Confident143 Ų143119.1 Ų119.162%0.62259%0.589SS**Hα-helixtrans-89.6-22.5176.8-77171172.3162.30113.3E679 L680 K685E679-K683 PolarHBondContact O-N 2.68Å; E679-K683 IonicContact OE1-NZ 3.9Å; E679-K683 PolarHBondContact OE1-NZ 3.21Å; L680-K683 PolarHBondContact O-N 2.93Å; K683-K685 VanDerWaalsContact C-N 3.28Å
684E62.4Low71.9Confident173 Ų173119.2 Ų119.281%0.80859%0.592SS**  trans-81.9-2.3173.7-75.5-170.7155.700113.9L680L680-E684 PolarHBondContact O-N 3.02Å
685K48.9Very low71.8Confident233 Ų233123.3 Ų123.3100%1.01361%0.611SS**  trans-98.20165.3-73.5-177.2178.7177.30110K683K683-K685 VanDerWaalsContact C-N 3.28Å

Retrieved 685 of 685 residues in 126.2 ms (Link to these results)

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