G4VHL6_SCHMA Loading...

Putative eukaryotic translation initiation factor 4h

AlphaFold DB , UniProt , Accession G4VHL6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 242 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
1M34.3Very low67.7Low239 Ų239101 Ų101100%1.17752%0.516SS*.  0115.40-77.6165158.600106.6S3M1-S3 PolarHBondContact O-N 3.46Å; M1-S3 VanDerWaalsContact O-N 3.14Å
2A44.3Very low69.7Low96 Ų9692.6 Ų92.679%0.79347%0.473SS*.  trans-63.5114.5-178.700000109R4A2-R4 VanDerWaalsContact C-N 3.29Å; A2-R4 PolarHBondContact O-N 3.5Å
3S51.6Low71.5Confident111 Ų11185.5 Ų85.578%0.77644%0.436SS*.  trans-62.398.6163.4-57.90000105.9M1 D5M1-S3 PolarHBondContact O-N 3.46Å; M1-S3 VanDerWaalsContact O-N 3.14Å; S3-D5 PolarHBondContact O-N 3.27Å
4R56.9Low72.9Confident147 Ų14784.6 Ų84.656%0.55543%0.433SS*.  trans-64.3105.6169.5-71.6-179.5-179160.90.4105.7A2 N6A2-R4 VanDerWaalsContact C-N 3.29Å; A2-R4 PolarHBondContact O-N 3.5Å; R4-N6 VanDerWaalsContact C-N 3.28Å; R4-N6 PolarHBondContact O-N 2.97Å; R4-N6 PolarHBondContact O-OD1 3.16Å
5D60.9Low74Confident102 Ų10279.2 Ų79.255%0.54541%0.405SS..  trans-6198.5170.9-97.6-53.8000106.6S3 R7 L8S3-D5 PolarHBondContact O-N 3.27Å; D5-R7 HydrophobicContact CB-CB 4.49Å; D5-R7 HydrophobicContact CB-CG 4.32Å; D5-R7 PolarHBondContact O-N 3.4Å; D5-R7 IonicContact OD1-CZ 3.78Å; D5-R7 IonicContact OD1-NE 3.41Å; D5-R7 PolarHBondContact OD1-NE 3.26Å; D5-L8 PolarHBondContact O-N 3.26Å
6N65Low74.8Confident108 Ų10874.8 Ų74.858%0.57838%0.383SS*.G310 helixtrans-60.69.4174.3-67.9-15000113.1R4 L8 S9R4-N6 VanDerWaalsContact C-N 3.28Å; R4-N6 PolarHBondContact O-N 2.97Å; R4-N6 PolarHBondContact O-OD1 3.16Å; N6-L8 VanDerWaalsContact C-N 3.25Å; N6-S9 WeakPolarHBondContact CA-OG 3.35Å
7R73.1Confident75.3Confident196 Ų19673.8 Ų73.874%0.7438%0.383SS*.G310 helixtrans-68-28.6176.6-60.6-178-176.3175.52111.2D5D5-R7 HydrophobicContact CB-CB 4.49Å; D5-R7 HydrophobicContact CB-CG 4.32Å; D5-R7 PolarHBondContact O-N 3.4Å; D5-R7 IonicContact OD1-CZ 3.78Å; D5-R7 IonicContact OD1-NE 3.41Å; D5-R7 PolarHBondContact OD1-NE 3.26Å
8L86Confident75.8Confident37 Ų3777.4 Ų77.419%0.19440%0.403CS..G310 helixtrans-107.827.6-178.5-53-176.7000113.6D5 N6 F55 E58D5-L8 PolarHBondContact O-N 3.26Å; N6-L8 VanDerWaalsContact C-N 3.25Å; L8-F55 VanDerWaalsContact CB-O 3.22Å; L8-F55 WeakPolarHBondContact CB-O 3.41Å; L8-F55 WeakPolarHBondContact CD1-O 3.39Å; L8-F55 PolarHBondContact O-N 2.96Å; L8-E58 HydrophobicContact CD2-CB 4.26Å; L8-E58 HydrophobicContact CD2-CG 3.31Å
9S89.2Confident76.4Confident6 Ų673.8 Ų73.84%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-103138.3-178.5-56.30000111.3N6 V53 D54 A82N6-S9 WeakPolarHBondContact CA-OG 3.35Å; S9-V53 CarbonylContact C-O 3.58Å; S9-V53 WeakPolarHBondContact CA-O 3.4Å; S9-D54 VanDerWaalsContact CB-OD1 3.3Å; S9-D54 WeakPolarHBondContact CB-OD1 3.35Å; S9-D54 PolarHBondContact OG-OD1 2.99Å; S9-A82 VanDerWaalsContact O-CB 3.24Å; S9-A82 WeakPolarHBondContact O-CB 3.42Å; S9-A82 PolarHBondContact O-N 2.98Å
10V91.2Very high76.9Confident0 Ų075.7 Ų75.70%039%0.394CS..EExtended strand (participates in β ladder)trans-120.2137.6177.3175.80000109.7V12 Y52 V53 F55 L61 A64 V79 N80V10-V12 HydrophobicContact CG1-CG2 4.35Å; V10-Y52 WeakPolarHBondContact O-CA 3.21Å; V10-V53 PolarHBondContact N-O 3.34Å; V10-V53 PolarHBondContact O-N 2.82Å; V10-F55 HydrophobicContact CB-CD2 4.41Å; V10-F55 HydrophobicContact CB-CE2 3.79Å; V10-F55 HydrophobicContact CG2-CD2 3.87Å; V10-F55 HydrophobicContact CG2-CE2 3.54Å; V10-L61 HydrophobicContact CG2-CB 4.47Å; V10-L61 HydrophobicContact CG2-CD1 3.91Å; V10-L61 HydrophobicContact CG2-CG 3.86Å; V10-A64 HydrophobicContact CG2-CB 4.45Å; V10-V79 HydrophobicContact CG1-CG1 3.17Å; V10-N80 CarbonylContact C-O 3.55Å; V10-N80 WeakPolarHBondContact CA-O 3.41Å; V10-N80 WeakPolarHBondContact CG1-O 3.35Å
11Y92.2Very high77.3Confident69 Ų6977.1 Ų77.127%0.27140%0.399SS..EExtended strand (participates in β ladder)trans-87.5127.4170.8169.8-94.5000109.7Y50 Y52 V79 N80Y11-Y50 HydrophobicContact CD2-CD2 4.33Å; Y11-Y50 AromaticContact CE2-CD2 3.66Å; Y11-Y50 HydrophobicContact CE2-CD2 3.66Å; Y11-Y50 HydrophobicContact CE2-CE2 4.47Å; Y11-Y50 AromaticContact CE2-CG 3.79Å; Y11-Y50 HydrophobicContact CE2-CG 3.79Å; Y11-Y52 HydrophobicContact CD2-CD1 4.38Å; Y11-Y52 AromaticContact CD2-CE1 3.76Å; Y11-Y52 HydrophobicContact CD2-CE1 3.76Å; Y11-Y52 HydrophobicContact CG-CE1 4.44Å; Y11-V79 CarbonylContact O-C 3.5Å; Y11-V79 VanDerWaalsContact O-CA 3.31Å; Y11-V79 WeakPolarHBondContact O-CA 3.16Å; Y11-N80 HydrophobicContact CD1-CB 4.21Å; Y11-N80 PolarHBondContact N-O 3.37Å; Y11-N80 PolarHBondContact O-N 3.4Å
12V92Very high79.7Confident0 Ų068 Ų680%037%0.366CS..EExtended strand (participates in β ladder)trans-120.2115.2175.5-170.80000108.4V10 L15 F24 F28 Y50 A51 V53 R78 V79V10-V12 HydrophobicContact CG1-CG2 4.35Å; V12-L15 HydrophobicContact CB-CD1 4.26Å; V12-L15 HydrophobicContact CG1-CD1 3.95Å; V12-L15 HydrophobicContact CG1-CD2 3.95Å; V12-L15 HydrophobicContact CG1-CG 4.04Å; V12-F24 HydrophobicContact CB-CE1 4.32Å; V12-F24 HydrophobicContact CG1-CE1 4.41Å; V12-F24 HydrophobicContact CG2-CE1 4.45Å; V12-F28 HydrophobicContact CG2-CE2 3.89Å; V12-F28 HydrophobicContact CG2-CZ 3.64Å; V12-Y50 CarbonylContact O-C 3.52Å; V12-Y50 WeakPolarHBondContact O-CA 3.47Å; V12-Y50 WeakPolarHBondContact O-CB 3.31Å; V12-A51 PolarHBondContact N-O 3.27Å; V12-A51 PolarHBondContact O-N 3.43Å; V12-V53 HydrophobicContact CG2-CG2 4.05Å; V12-R78 CarbonylContact C-O 3.59Å; V12-R78 WeakPolarHBondContact CA-O 3.47Å; V12-V79 HydrophobicContact CG1-CG2 4.49Å
13G92.4Very high81.7Confident0 Ų066.9 Ų66.90%034%0.344CS..EExtended strand (participates in β ladder)trans-119.9173.3-178.700000113.4L15 R78G13-L15 VanDerWaalsContact C-N 3.25Å; G13-L15 PolarHBondContact O-N 3.09Å; G13-R78 PolarHBondContact N-O 3.16Å; G13-R78 PolarHBondContact O-N 2.98Å
14N91.7Very high83.5Confident73 Ų7361.6 Ų61.639%0.3931%0.307SS..SBendtrans61.831.3-175.3-159.439.8000113.7G49 S76 R78N14-G49 PolarHBondContact N-O 3.41Å; N14-G49 VanDerWaalsContact N-O 3.12Å; N14-S76 WeakPolarHBondContact CB-O 3.5Å; N14-S76 PolarHBondContact ND2-O 3.08Å; N14-R78 HydrophobicContact CB-CG 4.45Å
15L89.6Confident84.9Confident4 Ų460 Ų602%0.02131%0.309CS..  trans-77146.2178-70.7164.5000110.9V12 G13 T19 F24 I27 F47 G49 A51 L77V12-L15 HydrophobicContact CB-CD1 4.26Å; V12-L15 HydrophobicContact CG1-CD1 3.95Å; V12-L15 HydrophobicContact CG1-CD2 3.95Å; V12-L15 HydrophobicContact CG1-CG 4.04Å; G13-L15 VanDerWaalsContact C-N 3.25Å; G13-L15 PolarHBondContact O-N 3.09Å; L15-T19 HydrophobicContact CD2-CG2 4.18Å; L15-F24 HydrophobicContact CD1-CE1 4.04Å; L15-F24 HydrophobicContact CD1-CZ 3.6Å; L15-I27 HydrophobicContact CD2-CD1 4.47Å; L15-F47 HydrophobicContact CB-CE1 3.63Å; L15-F47 HydrophobicContact CB-CZ 4.1Å; L15-F47 HydrophobicContact CD1-CE1 4.25Å; L15-F47 HydrophobicContact CD1-CZ 3.85Å; L15-G49 PolarHBondContact N-O 3.3Å; L15-A51 HydrophobicContact CD1-CB 3.99Å; L15-L77 HydrophobicContact CD2-CD2 3.45Å; L15-L77 VanDerWaalsContact CD2-CD2 3.45Å; L15-L77 HydrophobicContact CG-CD2 4.24Å
16P85.8Confident86.1Confident8 Ų864.5 Ų64.55%0.05232%0.32CS..  trans-61.7150.5173.221.1-27.3000112N18 T19 F47 D73P16-N18 PolarHBondContact O-N 3.41Å; P16-N18 VanDerWaalsContact O-N 3.09Å; P16-T19 WeakPolarHBondContact CD-OG1 3.24Å; P16-T19 WeakPolarHBondContact CG-OG1 3.38Å; P16-T19 WeakPolarHBondContact O-CB 3.3Å; P16-T19 PolarHBondContact O-N 2.94Å; P16-T19 PolarHBondContact O-OG1 3.2Å; P16-F47 WeakPolarHBondContact O-CD1 3.37Å; P16-D73 HydrophobicContact CB-CB 4.38Å; P16-D73 HydrophobicContact CG-CB 4.11Å
17P83.9Confident87Confident59 Ų5960.2 Ų60.238%0.38330%0.297SS..THydrogen-bonded Turntrans-60.8-22.8-179.725.5-35.3000112.6T19 R75P17-T19 VanDerWaalsContact C-N 3.33Å; P17-R75 VanDerWaalsContact CD-NH1 3.29Å
18N85.1Confident87.6Confident139 Ų13951.1 Ų51.174%0.74326%0.263SS*.THydrogen-bonded Turntrans-87.76.1179.4-62.4-14.9000113.4P16 I20P16-N18 PolarHBondContact O-N 3.41Å; P16-N18 VanDerWaalsContact O-N 3.09Å; N18-I20 PolarHBondContact O-N 3.12Å
19T86.2Confident87.6Confident8 Ų853.9 Ų53.95%0.04929%0.285CS..  trans-69113.3179-57.80000111.6L15 P16 P17 H23 F24L15-T19 HydrophobicContact CD2-CG2 4.18Å; P16-T19 WeakPolarHBondContact CD-OG1 3.24Å; P16-T19 WeakPolarHBondContact CG-OG1 3.38Å; P16-T19 WeakPolarHBondContact O-CB 3.3Å; P16-T19 PolarHBondContact O-N 2.94Å; P16-T19 PolarHBondContact O-OG1 3.2Å; P17-T19 VanDerWaalsContact C-N 3.33Å; T19-H23 HydrophobicContact CG2-CB 4.1Å; T19-F24 HydrophobicContact CG2-CD2 4.37Å; T19-F24 HydrophobicContact CG2-CE2 3.56Å; T19-F24 HydrophobicContact CG2-CZ 3.98Å
20I86Confident87.3Confident111 Ų11156.7 Ų56.757%0.56932%0.315SS*.  trans-95.7166.9166.860167.1000112.6N18 G22 H23N18-I20 PolarHBondContact O-N 3.12Å; I20-G22 PolarHBondContact O-N 2.86Å; I20-G22 VanDerWaalsContact O-N 3.16Å; I20-H23 WeakPolarHBondContact CG1-CD2 3.49Å; I20-H23 PolarHBondContact N-CD2 3.38Å; I20-H23 PolarHBondContact O-N 3.12Å
21Q85.3Confident87.1Confident107 Ų10757.6 Ų57.650%0.532%0.321SS..THydrogen-bonded Turntrans-53.5-36.5-179.7-174.9168.80.600113.4H23 F24 V36 L38Q21-H23 PolarHBondContact O-N 3.13Å; Q21-F24 WeakPolarHBondContact O-CB 3.22Å; Q21-F24 WeakPolarHBondContact O-CD2 3.33Å; Q21-F24 PolarHBondContact O-N 2.91Å; Q21-F24 VanDerWaalsContact O-N 3.1Å; Q21-V36 HydrophobicContact CG-CB 3.99Å; Q21-V36 HydrophobicContact CG-CG1 4.35Å; Q21-V36 HydrophobicContact CG-CG2 4.23Å; Q21-L38 HydrophobicContact CB-CD1 4.39Å
22G85.7Confident87Confident47 Ų4758.3 Ų58.349%0.48533%0.33SS..Hα-helixtrans-65.5-18.7179.900000115.2I20 F24I20-G22 PolarHBondContact O-N 2.86Å; I20-G22 VanDerWaalsContact O-N 3.16Å; G22-F24 VanDerWaalsContact C-N 3.28Å; G22-F24 PolarHBondContact O-N 3.45Å
23H86.9Confident86.9Confident72 Ų7260 Ų6033%0.33334%0.339SS..Hα-helixtrans-71.5-26.4174.1-69.1-83.3000112.1T19 I20 Q21 D25 Y26 I27T19-H23 HydrophobicContact CG2-CB 4.1Å; I20-H23 WeakPolarHBondContact CG1-CD2 3.49Å; I20-H23 PolarHBondContact N-CD2 3.38Å; I20-H23 PolarHBondContact O-N 3.12Å; Q21-H23 PolarHBondContact O-N 3.13Å; H23-D25 VanDerWaalsContact C-N 3.33Å; H23-D25 PolarHBondContact O-N 3.33Å; H23-Y26 PolarHBondContact O-N 2.75Å; H23-Y26 VanDerWaalsContact O-N 3.14Å; H23-I27 HydrophobicContact CB-CD1 4.25Å; H23-I27 VanDerWaalsContact O-CG1 3.24Å; H23-I27 WeakPolarHBondContact O-CG1 3.46Å; H23-I27 PolarHBondContact O-N 2.88Å
24F87.7Confident86.8Confident0 Ų065.2 Ų65.20%036%0.363CS..Hα-helixtrans-69-33.9-179.2-68.1-92.3000111.8V12 L15 T19 Q21 G22 Y26 I27 F28 I33 V36 L38 A51 V53V12-F24 HydrophobicContact CB-CE1 4.32Å; V12-F24 HydrophobicContact CG1-CE1 4.41Å; V12-F24 HydrophobicContact CG2-CE1 4.45Å; L15-F24 HydrophobicContact CD1-CE1 4.04Å; L15-F24 HydrophobicContact CD1-CZ 3.6Å; T19-F24 HydrophobicContact CG2-CD2 4.37Å; T19-F24 HydrophobicContact CG2-CE2 3.56Å; T19-F24 HydrophobicContact CG2-CZ 3.98Å; Q21-F24 WeakPolarHBondContact O-CB 3.22Å; Q21-F24 WeakPolarHBondContact O-CD2 3.33Å; Q21-F24 PolarHBondContact O-N 2.91Å; Q21-F24 VanDerWaalsContact O-N 3.1Å; G22-F24 VanDerWaalsContact C-N 3.28Å; G22-F24 PolarHBondContact O-N 3.45Å; F24-Y26 PolarHBondContact O-N 3.37Å; F24-I27 PolarHBondContact O-N 3.24Å; F24-F28 HydrophobicContact CB-CD2 4.39Å; F24-F28 HydrophobicContact CD1-CD2 4.18Å; F24-F28 AromaticContact CD1-CE2 3.86Å; F24-F28 HydrophobicContact CD1-CE2 3.86Å; F24-F28 WeakPolarHBondContact O-CB 3.46Å; F24-F28 PolarHBondContact O-N 3.31Å; F24-I33 HydrophobicContact CB-CD1 4.33Å; F24-V36 HydrophobicContact CB-CG2 4.2Å; F24-V36 HydrophobicContact CD1-CG1 4.31Å; F24-V36 HydrophobicContact CD2-CG1 3.81Å; F24-V36 HydrophobicContact CE1-CG1 4.5Å; F24-V36 HydrophobicContact CE2-CG1 4.01Å; F24-V36 HydrophobicContact CG-CG1 3.97Å; F24-V36 HydrophobicContact CG-CG2 4.42Å; F24-V36 HydrophobicContact CZ-CG1 4.35Å; F24-L38 HydrophobicContact CE2-CD2 3.72Å; F24-L38 HydrophobicContact CZ-CD2 4.05Å; F24-A51 HydrophobicContact CE1-CB 3.77Å; F24-A51 HydrophobicContact CE2-CB 4.38Å; F24-A51 HydrophobicContact CZ-CB 3.4Å; F24-A51 VanDerWaalsContact CZ-CB 3.4Å; F24-V53 HydrophobicContact CD1-CG2 3.59Å; F24-V53 HydrophobicContact CE1-CG2 3.86Å
25D86.6Confident86.7Confident113 Ų11363.3 Ų63.360%0.60436%0.356SS*.Hα-helixtrans-59-36.7170.7-84.5-91.1000112.2H23 S29H23-D25 VanDerWaalsContact C-N 3.33Å; H23-D25 PolarHBondContact O-N 3.33Å; D25-S29 PolarHBondContact O-N 3.14Å
26Y85.6Confident86.8Confident197 Ų19764 Ų6477%0.77336%0.36SS*.Hα-helixtrans-78-45.1177.5-174.8-97.3000112.4H23 F24 F28 S29H23-Y26 PolarHBondContact O-N 2.75Å; H23-Y26 VanDerWaalsContact O-N 3.14Å; F24-Y26 PolarHBondContact O-N 3.37Å; Y26-F28 VanDerWaalsContact C-N 3.35Å; Y26-F28 PolarHBondContact O-N 2.93Å; Y26-S29 PolarHBondContact O-N 2.94Å
27I84.7Confident87Confident19 Ų1971.8 Ų71.810%0.09739%0.388CS..Hα-helixtrans-63.7-42.2-179.2-66.8163000110.8L15 H23 F24 V67 V72 L77L15-I27 HydrophobicContact CD2-CD1 4.47Å; H23-I27 HydrophobicContact CB-CD1 4.25Å; H23-I27 VanDerWaalsContact O-CG1 3.24Å; H23-I27 WeakPolarHBondContact O-CG1 3.46Å; H23-I27 PolarHBondContact O-N 2.88Å; F24-I27 PolarHBondContact O-N 3.24Å; I27-V67 HydrophobicContact CG2-CG1 4.24Å; I27-V72 HydrophobicContact CD1-CG2 4.3Å; I27-V72 HydrophobicContact CG1-CG2 4.15Å; I27-L77 HydrophobicContact CD1-CD1 4.1Å; I27-L77 HydrophobicContact CG1-CD1 4.38Å; I27-L77 HydrophobicContact CG2-CD1 3.71Å
28F86.7Confident87.3Confident4 Ų471.4 Ų71.42%0.01838%0.383CS..THydrogen-bonded Turntrans-102.942.9-179.6-61.8-69.2000111.5V12 F24 Y26 G30 C31 I33 V53 F55 A64V12-F28 HydrophobicContact CG2-CE2 3.89Å; V12-F28 HydrophobicContact CG2-CZ 3.64Å; F24-F28 HydrophobicContact CB-CD2 4.39Å; F24-F28 HydrophobicContact CD1-CD2 4.18Å; F24-F28 AromaticContact CD1-CE2 3.86Å; F24-F28 HydrophobicContact CD1-CE2 3.86Å; F24-F28 WeakPolarHBondContact O-CB 3.46Å; F24-F28 PolarHBondContact O-N 3.31Å; Y26-F28 VanDerWaalsContact C-N 3.35Å; Y26-F28 PolarHBondContact O-N 2.93Å; F28-G30 PolarHBondContact O-N 2.96Å; F28-G30 VanDerWaalsContact O-N 3.15Å; F28-C31 HydrophobicContact CB-CB 4.04Å; F28-C31 WeakPolarHBondContact O-CB 3.43Å; F28-C31 PolarHBondContact O-N 3.38Å; F28-I33 HydrophobicContact CB-CD1 4.24Å; F28-V53 HydrophobicContact CE2-CG2 4.17Å; F28-F55 HydrophobicContact CB-CE1 4.47Å; F28-F55 HydrophobicContact CD1-CZ 4.1Å; F28-F55 HydrophobicContact CD2-CZ 4.49Å; F28-F55 HydrophobicContact CE1-CZ 4.39Å; F28-F55 HydrophobicContact CG-CE1 4.45Å; F28-F55 HydrophobicContact CG-CZ 4.16Å; F28-A64 HydrophobicContact CD1-CB 3.69Å; F28-A64 HydrophobicContact CE1-CB 3.52Å
29S84.6Confident87.6Confident95 Ų9566.1 Ų66.166%0.66436%0.355SS*.THydrogen-bonded Turntrans-57.1120.2177.265.20000110.6D25 Y26D25-S29 PolarHBondContact O-N 3.14Å; Y26-S29 PolarHBondContact O-N 2.94Å
30G83.2Confident87.8Confident65 Ų6573 Ų7367%0.6738%0.38SS*.THydrogen-bonded Turntrans90.110.9-178.100000115.3F28F28-G30 PolarHBondContact O-N 2.96Å; F28-G30 VanDerWaalsContact O-N 3.15Å
31C87.6Confident88Confident19 Ų1971.1 Ų71.113%0.12837%0.371CS..SBendtrans-108.5142.4169.8-61.90000110.7F28 I33 F55F28-C31 HydrophobicContact CB-CB 4.04Å; F28-C31 WeakPolarHBondContact O-CB 3.43Å; F28-C31 PolarHBondContact O-N 3.38Å; C31-I33 PolarHBondContact O-N 2.91Å; C31-F55 HydrophobicContact CB-CD1 4.09Å; C31-F55 HydrophobicContact CB-CE1 3.66Å
32D89.1Confident88.2Confident84 Ų8475.6 Ų75.645%0.44939%0.389SS..  trans-87.195.6178.2-67.3-57.5000110.7F55 K56 N57 S60D32-F55 WeakPolarHBondContact O-CA 3.17Å; D32-K56 HydrophobicContact CB-CB 4.13Å; D32-K56 HydrophobicContact CB-CD 4.41Å; D32-K56 HydrophobicContact CB-CG 4.49Å; D32-K56 PolarHBondContact O-N 3.18Å; D32-N57 PolarHBondContact OD2-ND2 3.11Å; D32-S60 PolarHBondContact N-OG 2.57Å
33I90.5Very high88.4Confident37 Ų3782 Ų8219%0.1941%0.407CS..EExtended strand (participates in β ladder)trans-78128.6177.5-55.4170.9000109.6F24 F28 C31 V36 V53 F55F24-I33 HydrophobicContact CB-CD1 4.33Å; F28-I33 HydrophobicContact CB-CD1 4.24Å; C31-I33 PolarHBondContact O-N 2.91Å; I33-V36 HydrophobicContact CG2-CG2 3.64Å; I33-V53 HydrophobicContact CG1-CG1 4.18Å; I33-V53 HydrophobicContact CG2-CG1 3.8Å; I33-F55 HydrophobicContact CG1-CD1 4.28Å; I33-F55 HydrophobicContact CG1-CE1 3.9Å
34E90.1Very high88.4Confident109 Ų10982.8 Ų82.851%0.50942%0.417SS..EExtended strand (participates in β ladder)trans-89.3-47.9171.7-166.9-170.2149.900111.2D54 K56E34-D54 HydrophobicContact CB-CB 4.38Å; E34-D54 PolarHBondContact N-O 3.06Å; E34-K56 HydrophobicContact CB-CG 3.81Å; E34-K56 HydrophobicContact CG-CG 4.22Å
35S89.3Confident88.3Confident33 Ų3388.2 Ų88.223%0.23145%0.445CS..EExtended strand (participates in β ladder)trans-154.1144.7-178.1-155.90000111.6D54S35-D54 PolarHBondContact N-O 3.47Å; S35-D54 PolarHBondContact O-N 3.41Å
36V91.2Very high88.3Confident17 Ų1788.6 Ų88.610%0.10344%0.444CS..EExtended strand (participates in β ladder)trans-116.1124.9174.2-177.20000108.7Q21 F24 I33 L38 V53Q21-V36 HydrophobicContact CG-CB 3.99Å; Q21-V36 HydrophobicContact CG-CG1 4.35Å; Q21-V36 HydrophobicContact CG-CG2 4.23Å; F24-V36 HydrophobicContact CB-CG2 4.2Å; F24-V36 HydrophobicContact CD1-CG1 4.31Å; F24-V36 HydrophobicContact CD2-CG1 3.81Å; F24-V36 HydrophobicContact CE1-CG1 4.5Å; F24-V36 HydrophobicContact CE2-CG1 4.01Å; F24-V36 HydrophobicContact CG-CG1 3.97Å; F24-V36 HydrophobicContact CG-CG2 4.42Å; F24-V36 HydrophobicContact CZ-CG1 4.35Å; I33-V36 HydrophobicContact CG2-CG2 3.64Å; V36-L38 HydrophobicContact CG1-CG 4.5Å; V36-V53 HydrophobicContact CG1-CG2 4.47Å; V36-V53 HydrophobicContact CG2-CG1 4.44Å
37R90.1Very high88.5Confident173 Ų17380.3 Ų80.365%0.65341%0.412SS*.EExtended strand (participates in β ladder)trans-115.499.2177.1-176.9-179.1178.3-1760.5110.3A51 Y52R37-A51 CarbonylContact O-C 3.59Å; R37-A51 WeakPolarHBondContact O-CA 3.36Å; R37-Y52 PolarHBondContact N-O 2.89Å; R37-Y52 PolarHBondContact O-N 3.46Å
38L91.3Very high88.7Confident51 Ų5185.3 Ų85.327%0.26743%0.433SS..EExtended strand (participates in β ladder)trans-73.9131.8170.9-67.8156.1000110Q21 F24 V36 F47 A51Q21-L38 HydrophobicContact CB-CD1 4.39Å; F24-L38 HydrophobicContact CE2-CD2 3.72Å; F24-L38 HydrophobicContact CZ-CD2 4.05Å; V36-L38 HydrophobicContact CG1-CG 4.5Å; L38-F47 HydrophobicContact CB-CD2 4.36Å; L38-F47 HydrophobicContact CB-CE2 4Å; L38-F47 HydrophobicContact CD2-CD2 4.1Å; L38-F47 HydrophobicContact CD2-CE2 3.38Å; L38-F47 HydrophobicContact CD2-CZ 3.76Å; L38-F47 HydrophobicContact CG-CE2 4.33Å; L38-A51 HydrophobicContact CD2-CB 4.13Å
39V91.2Very high88.8Confident28 Ų2885.9 Ų85.917%0.1744%0.44CS..EExtended strand (participates in β ladder)trans-97.3119.3174.6-175.80000109.9F47 K48 Y50 Y52V39-F47 VanDerWaalsContact O-CD2 3.31Å; V39-F47 WeakPolarHBondContact O-CD2 3.45Å; V39-K48 HydrophobicContact CG1-CD 4.35Å; V39-K48 VanDerWaalsContact O-CB 3.31Å; V39-K48 WeakPolarHBondContact O-CB 3.38Å; V39-K48 PolarHBondContact O-N 2.77Å; V39-Y50 HydrophobicContact CB-CD2 3.89Å; V39-Y50 HydrophobicContact CB-CE2 3.48Å; V39-Y50 VanDerWaalsContact CB-CE2 3.48Å; V39-Y50 HydrophobicContact CG1-CE1 4.4Å; V39-Y50 HydrophobicContact CG1-CE2 3.73Å; V39-Y50 WeakPolarHBondContact CG1-OH 3.46Å; V39-Y50 HydrophobicContact CG2-CD2 3.84Å; V39-Y50 HydrophobicContact CG2-CE2 3.43Å; V39-Y50 VanDerWaalsContact CG2-CE2 3.43Å; V39-Y50 PolarHBondContact N-O 2.72Å; V39-Y50 VanDerWaalsContact N-O 3.15Å; V39-Y52 HydrophobicContact CG2-CD2 3.93Å; V39-Y52 HydrophobicContact CG2-CE2 3.86Å
40R91.2Very high89.2Confident152 Ų15283.3 Ų83.357%0.57442%0.416SS*.EExtended strand (participates in β ladder)trans-114152.6176.8-60-169.8-72.3-151.2-0.8110.4E46 F47R40-E46 CarbonylContact C-O 3.56Å; R40-E46 VanDerWaalsContact CA-O 3.25Å; R40-E46 WeakPolarHBondContact CA-O 3.34Å; R40-E46 WeakPolarHBondContact CB-O 3.32Å; R40-F47 HydrophobicContact CG-CD2 4.29Å
41D90.4Very high89.6Confident71 Ų7180.2 Ų80.238%0.3838%0.384SS..  trans-65.6139.1168.9-160.2-47.1000109.3Q43 T44 D45 E46D41-Q43 VanDerWaalsContact C-N 3.33Å; D41-Q43 PolarHBondContact OD1-N 2.85Å; D41-T44 WeakPolarHBondContact CB-OG1 3.44Å; D41-D45 VanDerWaalsContact O-CA 3.25Å; D41-D45 WeakPolarHBondContact O-CA 3.31Å; D41-D45 PolarHBondContact O-N 2.9Å; D41-D45 VanDerWaalsContact O-N 3.16Å; D41-E46 PolarHBondContact N-O 3.37Å
42K89.2Confident89.8Confident202 Ų20283 Ų8388%0.87839%0.392SS*.THydrogen-bonded Turntrans-80-17.5-179.3-61.9-175.7-179.6-173.80112.8
43Q88.6Confident89.9Confident181 Ų18179 Ų7985%0.84637%0.371SS*.THydrogen-bonded Turntrans-93.7-44-178-65.2-169.1-18.100112D41D41-Q43 VanDerWaalsContact C-N 3.33Å; D41-Q43 PolarHBondContact OD1-N 2.85Å
44T88.6Confident89.9Confident89 Ų8978.1 Ų78.155%0.54637%0.366SS..THydrogen-bonded Turntrans-100.3-8.1-176.959.30000113.7D41 E46D41-T44 WeakPolarHBondContact CB-OG1 3.44Å; T44-E46 PolarHBondContact O-N 3.26Å; T44-E46 WeakPolarHBondContact OG1-CB 3.47Å; T44-E46 PolarHBondContact OG1-N 3.15Å
45D85.4Confident89.9Confident113 Ų11373 Ų7360%0.60434%0.342SS*.  trans54.713.6-168.4-91.7-62.4000114.1D41D41-D45 VanDerWaalsContact O-CA 3.25Å; D41-D45 WeakPolarHBondContact O-CA 3.31Å; D41-D45 PolarHBondContact O-N 2.9Å; D41-D45 VanDerWaalsContact O-N 3.16Å
46E86.3Confident89.9Confident122 Ų12277.5 Ų77.557%0.5736%0.358SS*.  trans-76.7144.7179.6-166.7179.5166.200110.7R40 D41 T44 K48R40-E46 CarbonylContact C-O 3.56Å; R40-E46 VanDerWaalsContact CA-O 3.25Å; R40-E46 WeakPolarHBondContact CA-O 3.34Å; R40-E46 WeakPolarHBondContact CB-O 3.32Å; D41-E46 PolarHBondContact N-O 3.37Å; T44-E46 PolarHBondContact O-N 3.26Å; T44-E46 WeakPolarHBondContact OG1-CB 3.47Å; T44-E46 PolarHBondContact OG1-N 3.15Å; E46-K48 PolarHBondContact O-N 2.85Å
47F88.9Confident89.8Confident22 Ų2280.2 Ų80.210%0.09637%0.372CS..EExtended strand (participates in β ladder)trans-69.3125.3176-178.3-120.6000111.3L15 P16 L38 V39 R40 G49 Y50L15-F47 HydrophobicContact CB-CE1 3.63Å; L15-F47 HydrophobicContact CB-CZ 4.1Å; L15-F47 HydrophobicContact CD1-CE1 4.25Å; L15-F47 HydrophobicContact CD1-CZ 3.85Å; P16-F47 WeakPolarHBondContact O-CD1 3.37Å; L38-F47 HydrophobicContact CB-CD2 4.36Å; L38-F47 HydrophobicContact CB-CE2 4Å; L38-F47 HydrophobicContact CD2-CD2 4.1Å; L38-F47 HydrophobicContact CD2-CE2 3.38Å; L38-F47 HydrophobicContact CD2-CZ 3.76Å; L38-F47 HydrophobicContact CG-CE2 4.33Å; V39-F47 VanDerWaalsContact O-CD2 3.31Å; V39-F47 WeakPolarHBondContact O-CD2 3.45Å; R40-F47 HydrophobicContact CG-CD2 4.29Å; F47-G49 VanDerWaalsContact CE1-CA 3.43Å; F47-G49 PolarHBondContact O-N 3.13Å; F47-G49 VanDerWaalsContact O-N 3.13Å; F47-Y50 WeakPolarHBondContact CE2-O 3.36Å; F47-Y50 WeakPolarHBondContact CZ-O 3.34Å
48K89Confident89.7Confident124 Ų12478.4 Ų78.454%0.53937%0.371SS..EExtended strand (participates in β ladder)trans-74.6-3.3-174.7-160.2170.3166.8-159.20113.4V39 E46 Y50V39-K48 HydrophobicContact CG1-CD 4.35Å; V39-K48 VanDerWaalsContact O-CB 3.31Å; V39-K48 WeakPolarHBondContact O-CB 3.38Å; V39-K48 PolarHBondContact O-N 2.77Å; E46-K48 PolarHBondContact O-N 2.85Å; K48-Y50 HydrophobicContact CB-CD1 4.09Å; K48-Y50 HydrophobicContact CB-CE1 3.84Å; K48-Y50 HydrophobicContact CD-CD1 4.32Å; K48-Y50 HydrophobicContact CD-CE1 3.31Å; K48-Y50 HydrophobicContact CG-CD1 4.02Å; K48-Y50 HydrophobicContact CG-CE1 3.47Å; K48-Y50 VanDerWaalsContact CG-CE1 3.47Å; K48-Y50 PolarHBondContact NZ-OH 3.12Å
49G89.6Confident89.6Confident16 Ų1682.8 Ų82.817%0.16539%0.39CS..EExtended strand (participates in β ladder)trans8515.1179.900000114.4N14 L15 F47N14-G49 PolarHBondContact N-O 3.41Å; N14-G49 VanDerWaalsContact N-O 3.12Å; L15-G49 PolarHBondContact N-O 3.3Å; F47-G49 VanDerWaalsContact CE1-CA 3.43Å; F47-G49 PolarHBondContact O-N 3.13Å; F47-G49 VanDerWaalsContact O-N 3.13Å
50Y92.3Very high89.6Confident42 Ų4281.6 Ų81.617%0.16538%0.383CS..EExtended strand (participates in β ladder)trans-146.8155.1172.767.4-91.5000113.8Y11 V12 V39 F47 K48 Y52Y11-Y50 HydrophobicContact CD2-CD2 4.33Å; Y11-Y50 AromaticContact CE2-CD2 3.66Å; Y11-Y50 HydrophobicContact CE2-CD2 3.66Å; Y11-Y50 HydrophobicContact CE2-CE2 4.47Å; Y11-Y50 AromaticContact CE2-CG 3.79Å; Y11-Y50 HydrophobicContact CE2-CG 3.79Å; V12-Y50 CarbonylContact O-C 3.52Å; V12-Y50 WeakPolarHBondContact O-CA 3.47Å; V12-Y50 WeakPolarHBondContact O-CB 3.31Å; V39-Y50 HydrophobicContact CB-CD2 3.89Å; V39-Y50 HydrophobicContact CB-CE2 3.48Å; V39-Y50 VanDerWaalsContact CB-CE2 3.48Å; V39-Y50 HydrophobicContact CG1-CE1 4.4Å; V39-Y50 HydrophobicContact CG1-CE2 3.73Å; V39-Y50 WeakPolarHBondContact CG1-OH 3.46Å; V39-Y50 HydrophobicContact CG2-CD2 3.84Å; V39-Y50 HydrophobicContact CG2-CE2 3.43Å; V39-Y50 VanDerWaalsContact CG2-CE2 3.43Å; V39-Y50 PolarHBondContact N-O 2.72Å; V39-Y50 VanDerWaalsContact N-O 3.15Å; F47-Y50 WeakPolarHBondContact CE2-O 3.36Å; F47-Y50 WeakPolarHBondContact CZ-O 3.34Å; K48-Y50 HydrophobicContact CB-CD1 4.09Å; K48-Y50 HydrophobicContact CB-CE1 3.84Å; K48-Y50 HydrophobicContact CD-CD1 4.32Å; K48-Y50 HydrophobicContact CD-CE1 3.31Å; K48-Y50 HydrophobicContact CG-CD1 4.02Å; K48-Y50 HydrophobicContact CG-CE1 3.47Å; K48-Y50 VanDerWaalsContact CG-CE1 3.47Å; K48-Y50 PolarHBondContact NZ-OH 3.12Å; Y50-Y52 HydrophobicContact CD2-CE2 4.14Å; Y50-Y52 AromaticContact CE2-CE2 3.91Å; Y50-Y52 HydrophobicContact CE2-CE2 3.91Å
51A91.9Very high89.4Confident0 Ų075.2 Ų75.20%036%0.36CS..EExtended strand (participates in β ladder)trans-139.9159-179.600000111.2V12 L15 F24 R37 L38V12-A51 PolarHBondContact N-O 3.27Å; V12-A51 PolarHBondContact O-N 3.43Å; L15-A51 HydrophobicContact CD1-CB 3.99Å; F24-A51 HydrophobicContact CE1-CB 3.77Å; F24-A51 HydrophobicContact CE2-CB 4.38Å; F24-A51 HydrophobicContact CZ-CB 3.4Å; F24-A51 VanDerWaalsContact CZ-CB 3.4Å; R37-A51 CarbonylContact O-C 3.59Å; R37-A51 WeakPolarHBondContact O-CA 3.36Å; L38-A51 HydrophobicContact CD2-CB 4.13Å
52Y91.8Very high89.4Confident77 Ų7777.9 Ų77.930%0.30237%0.37SS..EExtended strand (participates in β ladder)trans-111.5132.4167.8-62.7-82.2000108.8V10 Y11 R37 V39 Y50 A82V10-Y52 WeakPolarHBondContact O-CA 3.21Å; Y11-Y52 HydrophobicContact CD2-CD1 4.38Å; Y11-Y52 AromaticContact CD2-CE1 3.76Å; Y11-Y52 HydrophobicContact CD2-CE1 3.76Å; Y11-Y52 HydrophobicContact CG-CE1 4.44Å; R37-Y52 PolarHBondContact N-O 2.89Å; R37-Y52 PolarHBondContact O-N 3.46Å; V39-Y52 HydrophobicContact CG2-CD2 3.93Å; V39-Y52 HydrophobicContact CG2-CE2 3.86Å; Y50-Y52 HydrophobicContact CD2-CE2 4.14Å; Y50-Y52 AromaticContact CE2-CE2 3.91Å; Y50-Y52 HydrophobicContact CE2-CE2 3.91Å; Y52-A82 HydrophobicContact CD1-CB 3.76Å; Y52-A82 HydrophobicContact CE1-CB 4.07Å
53V91.4Very high89.4Confident0 Ų073.6 Ų73.60%035%0.352CS..EExtended strand (participates in β ladder)trans-118.3119.7178.9-1750000107.8S9 V10 V12 F24 F28 I33 V36 F55S9-V53 CarbonylContact C-O 3.58Å; S9-V53 WeakPolarHBondContact CA-O 3.4Å; V10-V53 PolarHBondContact N-O 3.34Å; V10-V53 PolarHBondContact O-N 2.82Å; V12-V53 HydrophobicContact CG2-CG2 4.05Å; F24-V53 HydrophobicContact CD1-CG2 3.59Å; F24-V53 HydrophobicContact CE1-CG2 3.86Å; F28-V53 HydrophobicContact CE2-CG2 4.17Å; I33-V53 HydrophobicContact CG1-CG1 4.18Å; I33-V53 HydrophobicContact CG2-CG1 3.8Å; V36-V53 HydrophobicContact CG1-CG2 4.47Å; V36-V53 HydrophobicContact CG2-CG1 4.44Å; V53-F55 HydrophobicContact CB-CE2 4.14Å; V53-F55 HydrophobicContact CB-CZ 4.19Å; V53-F55 HydrophobicContact CG1-CD1 4.47Å; V53-F55 HydrophobicContact CG1-CD2 4.45Å; V53-F55 HydrophobicContact CG1-CE1 3.91Å; V53-F55 HydrophobicContact CG1-CE2 3.89Å; V53-F55 HydrophobicContact CG1-CZ 3.59Å
54D90.5Very high89.4Confident18 Ų1865 Ų6510%0.09631%0.311CS..EExtended strand (participates in β ladder)trans-92.2127.7175.1-62.1-23.9000108.1S9 E34 S35S9-D54 VanDerWaalsContact CB-OD1 3.3Å; S9-D54 WeakPolarHBondContact CB-OD1 3.35Å; S9-D54 PolarHBondContact OG-OD1 2.99Å; E34-D54 HydrophobicContact CB-CB 4.38Å; E34-D54 PolarHBondContact N-O 3.06Å; S35-D54 PolarHBondContact N-O 3.47Å; S35-D54 PolarHBondContact O-N 3.41Å
55F90.7Very high89.4Confident1 Ų163.2 Ų63.20%0.00430%0.298CS..EExtended strand (participates in β ladder)trans-106.4148.7179-66.6-77.6000111.4L8 V10 F28 C31 D32 I33 V53 L61 A64L8-F55 VanDerWaalsContact CB-O 3.22Å; L8-F55 WeakPolarHBondContact CB-O 3.41Å; L8-F55 WeakPolarHBondContact CD1-O 3.39Å; L8-F55 PolarHBondContact O-N 2.96Å; V10-F55 HydrophobicContact CB-CD2 4.41Å; V10-F55 HydrophobicContact CB-CE2 3.79Å; V10-F55 HydrophobicContact CG2-CD2 3.87Å; V10-F55 HydrophobicContact CG2-CE2 3.54Å; F28-F55 HydrophobicContact CB-CE1 4.47Å; F28-F55 HydrophobicContact CD1-CZ 4.1Å; F28-F55 HydrophobicContact CD2-CZ 4.49Å; F28-F55 HydrophobicContact CE1-CZ 4.39Å; F28-F55 HydrophobicContact CG-CE1 4.45Å; F28-F55 HydrophobicContact CG-CZ 4.16Å; C31-F55 HydrophobicContact CB-CD1 4.09Å; C31-F55 HydrophobicContact CB-CE1 3.66Å; D32-F55 WeakPolarHBondContact O-CA 3.17Å; I33-F55 HydrophobicContact CG1-CD1 4.28Å; I33-F55 HydrophobicContact CG1-CE1 3.9Å; V53-F55 HydrophobicContact CB-CE2 4.14Å; V53-F55 HydrophobicContact CB-CZ 4.19Å; V53-F55 HydrophobicContact CG1-CD1 4.47Å; V53-F55 HydrophobicContact CG1-CD2 4.45Å; V53-F55 HydrophobicContact CG1-CE1 3.91Å; V53-F55 HydrophobicContact CG1-CE2 3.89Å; V53-F55 HydrophobicContact CG1-CZ 3.59Å; F55-L61 HydrophobicContact CD2-CB 4.24Å; F55-A64 HydrophobicContact CE1-CB 4.39Å; F55-A64 HydrophobicContact CE2-CB 3.69Å; F55-A64 HydrophobicContact CZ-CB 3.53Å
56K88.9Confident89.6Confident129 Ų12963.5 Ų63.556%0.56130%0.304SS*.SBendtrans-74.8-31.4175-64.5-176.2-177.7173.50112.9D32 E34D32-K56 HydrophobicContact CB-CB 4.13Å; D32-K56 HydrophobicContact CB-CD 4.41Å; D32-K56 HydrophobicContact CB-CG 4.49Å; D32-K56 PolarHBondContact O-N 3.18Å; E34-K56 HydrophobicContact CB-CG 3.81Å; E34-K56 HydrophobicContact CG-CG 4.22Å
57N89.1Confident89.5Confident73 Ų7359.7 Ų59.739%0.3929%0.289SS..  trans-123140.2-169.8-68.8-33.7000111.3D32 Q59 S60 L61D32-N57 PolarHBondContact OD2-ND2 3.11Å; N57-Q59 VanDerWaalsContact C-N 3.27Å; N57-Q59 PolarHBondContact O-N 3.38Å; N57-S60 WeakPolarHBondContact O-CB 3.42Å; N57-S60 PolarHBondContact O-N 3.41Å; N57-S60 VanDerWaalsContact O-N 3.15Å; N57-L61 PolarHBondContact O-N 2.89Å
58E88.2Confident89.5Confident136 Ų13663.7 Ų63.764%0.63631%0.312SS*.Hα-helixtrans-60.3-36.3172.4-75179.8-177.900112.4L8 S60 L61 Q62L8-E58 HydrophobicContact CD2-CB 4.26Å; L8-E58 HydrophobicContact CD2-CG 3.31Å; E58-S60 VanDerWaalsContact C-N 3.28Å; E58-S60 PolarHBondContact O-N 3.21Å; E58-L61 WeakPolarHBondContact O-CB 3.48Å; E58-L61 PolarHBondContact O-N 3.31Å; E58-Q62 PolarHBondContact O-N 3.11Å
59Q89.6Confident89.4Confident142 Ų14259.6 Ų59.666%0.66431%0.305SS*.Hα-helixtrans-61.9-37.2176.3-65.2-175.1-4.300112.1N57 Q62 K63N57-Q59 VanDerWaalsContact C-N 3.27Å; N57-Q59 PolarHBondContact O-N 3.38Å; Q59-Q62 PolarHBondContact O-N 3.37Å; Q59-K63 WeakPolarHBondContact O-CG 3.37Å; Q59-K63 PolarHBondContact O-N 2.89Å
60S89.4Confident89.2Confident4 Ų460.4 Ų60.43%0.02831%0.31CS..Hα-helixtrans-67.9-38176.2-61.60000111.5D32 N57 E58 K63 A64D32-S60 PolarHBondContact N-OG 2.57Å; N57-S60 WeakPolarHBondContact O-CB 3.42Å; N57-S60 PolarHBondContact O-N 3.41Å; N57-S60 VanDerWaalsContact O-N 3.15Å; E58-S60 VanDerWaalsContact C-N 3.28Å; E58-S60 PolarHBondContact O-N 3.21Å; S60-K63 PolarHBondContact O-N 3.03Å; S60-A64 WeakPolarHBondContact O-CB 3.33Å; S60-A64 PolarHBondContact O-N 3.43Å
61L88.8Confident88.9Confident18 Ų1864.8 Ų64.89%0.09434%0.335CS..Hα-helixtrans-63.7-43.6174.5170.3145.3000112.2V10 F55 N57 E58 A64 L65 L81V10-L61 HydrophobicContact CG2-CB 4.47Å; V10-L61 HydrophobicContact CG2-CD1 3.91Å; V10-L61 HydrophobicContact CG2-CG 3.86Å; F55-L61 HydrophobicContact CD2-CB 4.24Å; N57-L61 PolarHBondContact O-N 2.89Å; E58-L61 WeakPolarHBondContact O-CB 3.48Å; E58-L61 PolarHBondContact O-N 3.31Å; L61-A64 WeakPolarHBondContact O-CB 3.49Å; L61-A64 PolarHBondContact O-N 3.41Å; L61-L65 HydrophobicContact CD2-CD1 4.47Å; L61-L65 PolarHBondContact O-N 3.27Å; L61-L65 VanDerWaalsContact O-N 3.13Å; L61-L81 HydrophobicContact CD1-CD2 3.84Å; L61-L81 HydrophobicContact CD2-CD2 3.66Å; L61-L81 HydrophobicContact CG-CD2 3.91Å
62Q88.5Confident88.5Confident126 Ų12666.1 Ų66.159%0.58934%0.343SS*.Hα-helixtrans-63.3-42.9175.9-70.5-179.8-0.600111.9E58 Q59 A64 L65 T66E58-Q62 PolarHBondContact O-N 3.11Å; Q59-Q62 PolarHBondContact O-N 3.37Å; Q62-A64 VanDerWaalsContact C-N 3.32Å; Q62-A64 PolarHBondContact O-N 2.93Å; Q62-L65 PolarHBondContact O-N 2.77Å; Q62-T66 PolarHBondContact O-N 2.94Å; Q62-T66 PolarHBondContact O-OG1 3.05Å
63K89.8Confident88.1Confident113 Ų11368.3 Ų68.349%0.49136%0.36SS..Hα-helixtrans-61.5-41174.6-73.2176.4-176.9-178.60112Q59 S60 L65 T66Q59-K63 WeakPolarHBondContact O-CG 3.37Å; Q59-K63 PolarHBondContact O-N 2.89Å; S60-K63 PolarHBondContact O-N 3.03Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.84Å; K63-T66 WeakPolarHBondContact O-CB 3.25Å; K63-T66 PolarHBondContact O-N 3.12Å; K63-T66 VanDerWaalsContact O-N 3.11Å
64A88.5Confident87.7Confident0 Ų071.6 Ų71.60%039%0.394CS..Hα-helixtrans-61.1-38.3178.400000112V10 F28 F55 S60 L61 Q62 T66 V67 V79V10-A64 HydrophobicContact CG2-CB 4.45Å; F28-A64 HydrophobicContact CD1-CB 3.69Å; F28-A64 HydrophobicContact CE1-CB 3.52Å; F55-A64 HydrophobicContact CE1-CB 4.39Å; F55-A64 HydrophobicContact CE2-CB 3.69Å; F55-A64 HydrophobicContact CZ-CB 3.53Å; S60-A64 WeakPolarHBondContact O-CB 3.33Å; S60-A64 PolarHBondContact O-N 3.43Å; L61-A64 WeakPolarHBondContact O-CB 3.49Å; L61-A64 PolarHBondContact O-N 3.41Å; Q62-A64 VanDerWaalsContact C-N 3.32Å; Q62-A64 PolarHBondContact O-N 2.93Å; A64-T66 VanDerWaalsContact C-N 3.29Å; A64-T66 PolarHBondContact O-N 2.77Å; A64-V67 WeakPolarHBondContact O-CB 3.29Å; A64-V67 PolarHBondContact O-N 2.86Å; A64-V67 VanDerWaalsContact O-N 3.12Å; A64-V79 WeakPolarHBondContact O-CG1 3.24Å
65L89.2Confident87.5Confident52 Ų5276 Ų7627%0.27241%0.409SS..Hα-helixtrans-63.2-33.6174.4-69.4173.2000112.8L61 Q62 K63 V67 D68 V79 L81L61-L65 HydrophobicContact CD2-CD1 4.47Å; L61-L65 PolarHBondContact O-N 3.27Å; L61-L65 VanDerWaalsContact O-N 3.13Å; Q62-L65 PolarHBondContact O-N 2.77Å; K63-L65 VanDerWaalsContact C-N 3.29Å; K63-L65 PolarHBondContact O-N 2.84Å; L65-V67 PolarHBondContact O-N 2.84Å; L65-D68 WeakPolarHBondContact O-CB 3.45Å; L65-D68 PolarHBondContact O-N 3.05Å; L65-D68 VanDerWaalsContact O-N 3.11Å; L65-V79 HydrophobicContact CD2-CG1 4.42Å; L65-L81 HydrophobicContact CD1-CD1 4.44Å; L65-L81 HydrophobicContact CD1-CD2 3.81Å; L65-L81 HydrophobicContact CD1-CG 4.05Å; L65-L81 HydrophobicContact CD2-CD2 4.14Å; L65-L81 HydrophobicContact CD2-CG 4.1Å; L65-L81 HydrophobicContact CG-CD2 4.29Å
66T88.9Confident87.5Confident118 Ų11878.8 Ų78.872%0.72443%0.429SS*.Hα-helixtrans-66.4-17175.5-47.10000113Q62 K63 A64Q62-T66 PolarHBondContact O-N 2.94Å; Q62-T66 PolarHBondContact O-OG1 3.05Å; K63-T66 WeakPolarHBondContact O-CB 3.25Å; K63-T66 PolarHBondContact O-N 3.12Å; K63-T66 VanDerWaalsContact O-N 3.11Å; A64-T66 VanDerWaalsContact C-N 3.29Å; A64-T66 PolarHBondContact O-N 2.77Å
67V85.2Confident87.6Confident43 Ų4372.7 Ų72.726%0.26140%0.402SS..THydrogen-bonded Turntrans-85.53.9176.8-1700000111.5I27 A64 L65 G69 A70I27-V67 HydrophobicContact CG2-CG1 4.24Å; A64-V67 WeakPolarHBondContact O-CB 3.29Å; A64-V67 PolarHBondContact O-N 2.86Å; A64-V67 VanDerWaalsContact O-N 3.12Å; L65-V67 PolarHBondContact O-N 2.84Å; V67-G69 PolarHBondContact O-N 3.46Å; V67-A70 HydrophobicContact CG1-CB 3.68Å; V67-A70 VanDerWaalsContact O-CB 3.29Å; V67-A70 WeakPolarHBondContact O-CB 3.33Å; V67-A70 PolarHBondContact O-N 2.87Å
68D88.8Confident87.7Confident106 Ų10677.3 Ų77.357%0.56741%0.414SS*.THydrogen-bonded Turntrans-58.3135.5172.9102.9-95.5000111.3L65 A70 V79L65-D68 WeakPolarHBondContact O-CB 3.45Å; L65-D68 PolarHBondContact O-N 3.05Å; L65-D68 VanDerWaalsContact O-N 3.11Å; D68-A70 VanDerWaalsContact C-N 3.32Å; D68-A70 PolarHBondContact O-N 2.87Å; D68-V79 HydrophobicContact CB-CB 3.95Å; D68-V79 HydrophobicContact CB-CG2 4.43Å
69G86.2Confident87.9Confident38 Ų3871.1 Ų71.139%0.39239%0.386SS..THydrogen-bonded Turntrans83.3-3-176.900000115.5V67 I71 L77V67-G69 PolarHBondContact O-N 3.46Å; G69-I71 PolarHBondContact O-N 2.75Å; G69-L77 WeakPolarHBondContact CA-O 3.44Å; G69-L77 PolarHBondContact N-O 2.93Å
70A85.6Confident87.9Confident33 Ų3368.4 Ų68.427%0.27338%0.376SS..  trans-56139.4175.200000111.8V67 D68 S76 L77V67-A70 HydrophobicContact CG1-CB 3.68Å; V67-A70 VanDerWaalsContact O-CB 3.29Å; V67-A70 WeakPolarHBondContact O-CB 3.33Å; V67-A70 PolarHBondContact O-N 2.87Å; D68-A70 VanDerWaalsContact C-N 3.32Å; D68-A70 PolarHBondContact O-N 2.87Å; A70-S76 CarbonylContact O-C 3.51Å; A70-S76 WeakPolarHBondContact O-CA 3.25Å; A70-L77 HydrophobicContact CB-CD1 4.43Å; A70-L77 WeakPolarHBondContact O-CB 3.31Å; A70-L77 WeakPolarHBondContact O-CG 3.44Å; A70-L77 PolarHBondContact O-N 2.9Å
71I86.2Confident87.9Confident134 Ų13470.9 Ų70.969%0.68739%0.388SS*.EExtended strand (participates in β ladder)trans-93.7115.6-176.9-58.7173.2000109.4G69 R75G69-I71 PolarHBondContact O-N 2.75Å; I71-R75 CarbonylContact C-O 3.53Å; I71-R75 WeakPolarHBondContact CA-O 3.47Å
72V83.3Confident87.5Confident28 Ų2871.6 Ų71.617%0.1740%0.397CS..EExtended strand (participates in β ladder)trans-120.8125.1174.8179.20000108.7I27 G74 R75 L77I27-V72 HydrophobicContact CD1-CG2 4.3Å; I27-V72 HydrophobicContact CG1-CG2 4.15Å; V72-G74 PolarHBondContact O-N 2.77Å; V72-G74 VanDerWaalsContact O-N 3.15Å; V72-R75 PolarHBondContact N-O 3.12Å; V72-R75 PolarHBondContact O-N 3.17Å; V72-L77 HydrophobicContact CB-CD1 4.41Å; V72-L77 HydrophobicContact CB-CD2 4.13Å; V72-L77 HydrophobicContact CB-CG 4.25Å; V72-L77 HydrophobicContact CG2-CD1 3.6Å; V72-L77 HydrophobicContact CG2-CD2 4.21Å; V72-L77 HydrophobicContact CG2-CG 3.87Å
73D82.5Confident86.4Confident122 Ų12268 Ų6865%0.65239%0.394SS*.THydrogen-bonded Turntrans51.136.4-176.5-67.9-69.5000113.8P16 R75P16-D73 HydrophobicContact CB-CB 4.38Å; P16-D73 HydrophobicContact CG-CB 4.11Å; D73-R75 VanDerWaalsContact C-N 3.29Å; D73-R75 PolarHBondContact O-N 3.49Å
74G83.5Confident84.7Confident70 Ų7069.4 Ų69.472%0.72240%0.402SS*.THydrogen-bonded Turntrans75.213.1-178.600000114.7V72V72-G74 PolarHBondContact O-N 2.77Å; V72-G74 VanDerWaalsContact O-N 3.15Å
75R86.8Confident82.8Confident110 Ų11079.6 Ų79.642%0.41544%0.441SS..EExtended strand (participates in β ladder)trans-118.9137.1176-61.1-179.2-178.8-179.70.7110.4P17 I71 V72 D73P17-R75 VanDerWaalsContact CD-NH1 3.29Å; I71-R75 CarbonylContact C-O 3.53Å; I71-R75 WeakPolarHBondContact CA-O 3.47Å; V72-R75 PolarHBondContact N-O 3.12Å; V72-R75 PolarHBondContact O-N 3.17Å; D73-R75 VanDerWaalsContact C-N 3.29Å; D73-R75 PolarHBondContact O-N 3.49Å
76S90.2Very high80.7Confident60 Ų6083 Ų8342%0.4247%0.466SS..EExtended strand (participates in β ladder)trans-78.3121.7175.347.40000111N14 A70N14-S76 WeakPolarHBondContact CB-O 3.5Å; N14-S76 PolarHBondContact ND2-O 3.08Å; A70-S76 CarbonylContact O-C 3.51Å; A70-S76 WeakPolarHBondContact O-CA 3.25Å
77L91.2Very high78.4Confident1 Ų180.9 Ų80.91%0.00547%0.467CS..  trans-68143.2176.1-62.9-172.4000110.7L15 I27 G69 A70 V72L15-L77 HydrophobicContact CD2-CD2 3.45Å; L15-L77 VanDerWaalsContact CD2-CD2 3.45Å; L15-L77 HydrophobicContact CG-CD2 4.24Å; I27-L77 HydrophobicContact CD1-CD1 4.1Å; I27-L77 HydrophobicContact CG1-CD1 4.38Å; I27-L77 HydrophobicContact CG2-CD1 3.71Å; G69-L77 WeakPolarHBondContact CA-O 3.44Å; G69-L77 PolarHBondContact N-O 2.93Å; A70-L77 HydrophobicContact CB-CD1 4.43Å; A70-L77 WeakPolarHBondContact O-CB 3.31Å; A70-L77 WeakPolarHBondContact O-CG 3.44Å; A70-L77 PolarHBondContact O-N 2.9Å; V72-L77 HydrophobicContact CB-CD1 4.41Å; V72-L77 HydrophobicContact CB-CD2 4.13Å; V72-L77 HydrophobicContact CB-CG 4.25Å; V72-L77 HydrophobicContact CG2-CD1 3.6Å; V72-L77 HydrophobicContact CG2-CD2 4.21Å; V72-L77 HydrophobicContact CG2-CG 3.87Å
78R90.9Very high76.6Confident169 Ų16990.6 Ų90.664%0.63850%0.499SS*.EExtended strand (participates in β ladder)trans-111.1112.4171.4-70.3-168.8175.3-141.4-0.1109.6V12 G13 N14V12-R78 CarbonylContact C-O 3.59Å; V12-R78 WeakPolarHBondContact CA-O 3.47Å; G13-R78 PolarHBondContact N-O 3.16Å; G13-R78 PolarHBondContact O-N 2.98Å; N14-R78 HydrophobicContact CB-CG 4.45Å
79V92.2Very high74.5Confident7 Ų788.1 Ų88.14%0.04250%0.498CS..EExtended strand (participates in β ladder)trans-110.5125.4-179.1-170.20000109V10 Y11 V12 A64 L65 D68V10-V79 HydrophobicContact CG1-CG1 3.17Å; Y11-V79 CarbonylContact O-C 3.5Å; Y11-V79 VanDerWaalsContact O-CA 3.31Å; Y11-V79 WeakPolarHBondContact O-CA 3.16Å; V12-V79 HydrophobicContact CG1-CG2 4.49Å; A64-V79 WeakPolarHBondContact O-CG1 3.24Å; L65-V79 HydrophobicContact CD2-CG1 4.42Å; D68-V79 HydrophobicContact CB-CB 3.95Å; D68-V79 HydrophobicContact CB-CG2 4.43Å
80N90.5Very high72.3Confident84 Ų8490.8 Ų90.845%0.44953%0.526SS..EExtended strand (participates in β ladder)trans-139.9159.1179.5-67.2-80.4000110.7V10 Y11 A82V10-N80 CarbonylContact C-O 3.55Å; V10-N80 WeakPolarHBondContact CA-O 3.41Å; V10-N80 WeakPolarHBondContact CG1-O 3.35Å; Y11-N80 HydrophobicContact CD1-CB 4.21Å; Y11-N80 PolarHBondContact N-O 3.37Å; Y11-N80 PolarHBondContact O-N 3.4Å; N80-A82 PolarHBondContact O-N 2.83Å
81L88.5Confident70.4Confident56 Ų5692.2 Ų92.229%0.29354%0.544SS..EExtended strand (participates in β ladder)trans-66.9126.5172.9-68.1174.2000110.7L61 L65 G83 E84L61-L81 HydrophobicContact CD1-CD2 3.84Å; L61-L81 HydrophobicContact CD2-CD2 3.66Å; L61-L81 HydrophobicContact CG-CD2 3.91Å; L65-L81 HydrophobicContact CD1-CD1 4.44Å; L65-L81 HydrophobicContact CD1-CD2 3.81Å; L65-L81 HydrophobicContact CD1-CG 4.05Å; L65-L81 HydrophobicContact CD2-CD2 4.14Å; L65-L81 HydrophobicContact CD2-CG 4.1Å; L65-L81 HydrophobicContact CG-CD2 4.29Å; L81-G83 PolarHBondContact O-N 3.15Å; L81-E84 HydrophobicContact CB-CG 4.02Å; L81-E84 HydrophobicContact CD1-CG 4.29Å
82A80Confident68.2Low33 Ų3395.5 Ų95.527%0.27356%0.556SS.*THydrogen-bonded Turntrans-74.8-13.1179.600000112.8S9 Y52 N80S9-A82 VanDerWaalsContact O-CB 3.24Å; S9-A82 WeakPolarHBondContact O-CB 3.42Å; S9-A82 PolarHBondContact O-N 2.98Å; Y52-A82 HydrophobicContact CD1-CB 3.76Å; Y52-A82 HydrophobicContact CE1-CB 4.07Å; N80-A82 PolarHBondContact O-N 2.83Å
83G66.4Low66.5Low51 Ų5196.6 Ų96.653%0.52657%0.573SS.*THydrogen-bonded Turntrans-87.1-12.8-178.400000115.5L81 R85L81-G83 PolarHBondContact O-N 3.15Å; G83-R85 PolarHBondContact O-N 3.13Å
84E54.5Low65Low143 Ų14399 Ų9967%0.66858%0.581SS**  trans-84.461.3-179.5-64.2-175.9110.300111.3L81 P86L81-E84 HydrophobicContact CB-CG 4.02Å; L81-E84 HydrophobicContact CD1-CG 4.29Å; E84-P86 WeakPolarHBondContact O-CD 3.22Å
85R47.7Very low62.9Low214 Ų214107.7 Ų107.781%0.80859%0.592SS**  trans-71.8117.3147.8-76.4-176179.5177.80.5105.3G83 G87G83-R85 PolarHBondContact O-N 3.13Å; R85-G87 PolarHBondContact O-N 3.27Å
86P45.6Very low61.1Low123 Ų123105.9 Ų105.980%0.79961%0.607SS**  trans-51.9120.9172.723-32.5000106.3E84 R88E84-P86 WeakPolarHBondContact O-CD 3.22Å; P86-R88 PolarHBondContact O-N 2.89Å
87G40.6Very low59.3Low73 Ų73112 Ų11275%0.75363%0.631SS**  trans-41.5101.2-15900000112.8R85 G89R85-G87 PolarHBondContact O-N 3.27Å; G87-G89 PolarHBondContact O-N 3.49Å; G87-G89 VanDerWaalsContact O-N 3.09Å
88R48.2Very low57.4Low248 Ų248118.4 Ų118.494%0.93667%0.665SS**  trans-81.944.9155.1-140.7-174.9-163.6-153.95.8108P86P86-R88 PolarHBondContact O-N 2.89Å
89G43.9Very low55.3Low53 Ų53117.1 Ų117.155%0.54667%0.671SS.*SBendtrans-78.4134.5155.500000106.3G87 G91G87-G89 PolarHBondContact O-N 3.49Å; G87-G89 VanDerWaalsContact O-N 3.09Å; G89-G91 PolarHBondContact O-N 3.44Å
90G40.9Very low53.1Low94 Ų94120.3 Ų120.397%0.96971%0.705SS**SBendtrans-50.8111.8175.400000110.2
91G44Very low51.2Low64 Ų64125.6 Ų125.666%0.6672%0.72SS**  trans-166.498.2-176.300000108.4G89 G93G89-G91 PolarHBondContact O-N 3.44Å; G91-G93 PolarHBondContact O-N 2.88Å
92H41.7Very low49.2Very low203 Ų203126 Ų12694%0.9474%0.737SS**  trans-65.9113.7171.7-6563000107.4
93G46.9Very low47.7Very low51 Ų51130.7 Ų130.753%0.52677%0.768SS.*  trans171.785.6-179.100000115.6G91 W95G91-G93 PolarHBondContact O-N 2.88Å; G93-W95 PolarHBondContact O-N 3.38Å
94Q51.1Low47Very low173 Ų173136.4 Ų136.481%0.80878%0.782SS**  46.664.7117.9-153.496.471.400120.1
95W39.7Very low46.4Very low252 Ų252133.1 Ų133.196%0.95579%0.786SS**  trans-153.4130.6157.2-46.485.8000108.6G93G93-W95 PolarHBondContact O-N 3.38Å
96G49.1Very low46.5Very low71 Ų71135.2 Ų135.273%0.73279%0.794SS**  cis-146.8114.33.500000110.5N98G96-N98 VanDerWaalsContact C-N 3.28Å; G96-N98 PolarHBondContact O-N 3.02Å
97M51.7Low46.4Very low188 Ų188132.1 Ų132.193%0.92678%0.784SS**  trans-73.789147-75153.4143.100106.3
98N52Low46.5Very low136 Ų136132.4 Ų132.473%0.72779%0.787SS**  trans-149.992.6164.6-157.8-67.7000109.1G96G96-N98 VanDerWaalsContact C-N 3.28Å; G96-N98 PolarHBondContact O-N 3.02Å
99N46.3Very low46.4Very low143 Ų143130 Ų13077%0.76578%0.784SS**  trans-133.182.5136.8-130.545.1000105.9Y101N99-Y101 PolarHBondContact O-N 3.15Å; N99-Y101 VanDerWaalsContact O-N 3.16Å
100G46.6Very low46.6Very low73 Ų73130.4 Ų130.475%0.75379%0.788SS**  trans-66.5104.9170.600000109.4
101Y48.7Very low47Very low196 Ų196133.9 Ų133.977%0.76979%0.785SS**  trans-135.1117.6148.861.4-85.5000107.4N99N99-Y101 PolarHBondContact O-N 3.15Å; N99-Y101 VanDerWaalsContact O-N 3.16Å
102G46.7Very low47.4Very low63 Ų63139.4 Ų139.465%0.64979%0.793SS**  trans65.579156.600000116.6Q104G102-Q104 PolarHBondContact O-N 3.47Å
103S50.3Low47.4Very low132 Ų132133.3 Ų133.392%0.92379%0.786SS**  trans-5894.4135.5-178.80000107.5
104Q50Low47.4Very low172 Ų172142.8 Ų142.880%0.80481%0.805SS**  trans-134.9106.9168.9-144.394.921.400107.2G102 R106G102-Q104 PolarHBondContact O-N 3.47Å; Q104-R106 PolarHBondContact O-N 3.43Å
105G43.4Very low47.1Very low74 Ų74138 Ų13876%0.76380%0.803SS**  trans-54.5138.9173.900000111.9
106R48.9Very low47.2Very low258 Ų258129 Ų12997%0.97479%0.788SS**  trans-166.7128.1153.6-110.3-172.3-172.6-150.23.4109.1Q104Q104-R106 PolarHBondContact O-N 3.43Å
107G42.9Very low47Very low57 Ų57135.9 Ų135.959%0.58880%0.798SS**  trans11758.4157.900000115.9
108G42.7Very low46.8Very low80 Ų80130.3 Ų130.383%0.82579%0.788SS**  trans-66.7123.8148.300000108.9
109F46.5Very low46.5Very low197 Ų197131.3 Ų131.386%0.86479%0.794SS**  trans-109.9111.9164.7-75.8-85.2000107.8
110G47.7Very low46.6Very low62 Ų62133.3 Ų133.364%0.63980%0.799SS**  trans-64.3135.9-171.600000112.8Q112G110-Q112 PolarHBondContact O-N 3.42Å
111N51.1Low46.3Very low167 Ų167132.9 Ų132.989%0.89379%0.794SS**  trans-65.4100.9147-166.9-27.3000107.2
112Q51.1Low46.2Very low180 Ų180135.5 Ų135.584%0.84180%0.802SS**  trans-149.9120.7171.5-101.3145.93500108.8G110G110-Q112 PolarHBondContact O-N 3.42Å
113G42Very low46.1Very low75 Ų75136 Ų13677%0.77381%0.808SS**  trans-62.7155.7-171.400000115.1
114R47Very low45.7Very low250 Ų250141.4 Ų141.494%0.94381%0.808SS**  trans-154.2107150.8-115.2-174.8178.4-165.50.4107.2
115G44.4Very low45.7Very low73 Ų73139 Ų13975%0.75381%0.808SS**  92.5116.1120.500000110.3
116G43.1Very low45.6Very low62 Ų62140.8 Ų140.864%0.63981%0.808SS**  66.6116.495.700000108.9
117F44.3Very low45.4Very low216 Ų216137.5 Ų137.595%0.94781%0.807SS**  -174.8151.561.3-77.4-88.8000109.1
118G46.6Very low45.4Very low70 Ų70138.6 Ų138.672%0.72282%0.818SS**  trans94.573.5137.500000117.9Q120G118-Q120 PolarHBondContact O-N 2.92Å
119N45.6Very low45.4Very low157 Ų157139 Ų13984%0.8482%0.821SS**  trans-65.6116.6145.2-174.7-13.2000108.4
120Q48.7Very low45.3Very low186 Ų186132.7 Ų132.787%0.86981%0.812SS**  trans-162.996.1162.8-106.9158.764.700110.3G118G118-Q120 PolarHBondContact O-N 2.92Å
121G40.4Very low45.1Very low64 Ų64140.5 Ų140.566%0.6682%0.822SS**  trans47.1116.3136.600000120.4
122R46.3Very low44.8Very low250 Ų250139.7 Ų139.794%0.94382%0.815SS**  170.7104.7127.1-92.2173.6-165.8-154.57.2106
123G44.4Very low44.3Very low75 Ų75138.1 Ų138.177%0.77381%0.808SS**  64.912494.700000110.9
124R43.8Very low44.2Very low244 Ų244140 Ų14092%0.92181%0.809SS**  cis-160.3157.920.2-71.8163.390.5170.75.5108.1
125P48.8Very low43.9Very low122 Ų122137.8 Ų137.879%0.79280%0.802SS**  trans-97.1169-177.537.9-33.8000114.6
126S42.2Very low43.9Very low111 Ų111137.7 Ų137.778%0.77680%0.801SS**  trans63.6108.6145.3-162.40000119.9
127M44.9Very low44Very low190 Ų190146.1 Ų146.194%0.93681%0.813SS**  trans-168.5124.2130.8-73.8-142170.100105
128G42.9Very low44.5Very low80 Ų80142 Ų14283%0.82581%0.808SS**  102.1107.159.300000108.8
129G42.3Very low44.4Very low87 Ų87146.1 Ų146.190%0.89781%0.814SS**  trans95.9135.2146.300000119.4
130G44.7Very low44.4Very low65 Ų65150.3 Ų150.367%0.6782%0.818SS**  trans113.798.4152.500000114
131R42.9Very low43.9Very low227 Ų227144.6 Ų144.686%0.85781%0.809SS**  70.2133.992.1-73.9-177.9-175.8-169.56112
132M44Very low43.9Very low149 Ų149145.4 Ų145.473%0.73482%0.817SS**  cis-172.9156.28.9-104.5157.3167.200106.6
133E40.6Very low43.7Very low148 Ų148143.1 Ų143.169%0.69282%0.819SS**  trans-18.6127.3157.5-104.958.457.100116.5Y135E133-Y135 HydrophobicContact CB-CE2 4.4Å; E133-Y135 HydrophobicContact CG-CE1 4.09Å; E133-Y135 HydrophobicContact CG-CE2 4.19Å; E133-Y135 WeakPolarHBondContact CG-OH 3.33Å
134S40.9Very low43.7Very low114 Ų114142.3 Ų142.380%0.79781%0.811SS**  trans-149.2113140.8-172.20000110.2G136S134-G136 PolarHBondContact O-N 2.85Å
135Y39.8Very low43.6Very low204 Ų204134.5 Ų134.580%0.881%0.807SS**  trans-56.3120.1168.5-37-85.4000109.3E133E133-Y135 HydrophobicContact CB-CE2 4.4Å; E133-Y135 HydrophobicContact CG-CE1 4.09Å; E133-Y135 HydrophobicContact CG-CE2 4.19Å; E133-Y135 WeakPolarHBondContact CG-OH 3.33Å
136G45.1Very low43.5Very low70 Ų70138.8 Ų138.872%0.72281%0.813SS**  trans-169.797.3-17900000110.7S134S134-G136 PolarHBondContact O-N 2.85Å
137R45.9Very low43.5Very low239 Ų239137.4 Ų137.490%0.90282%0.816SS**  trans-50.4136.4178.1-66.8178.3168.5-136-1.7111.4N139R137-N139 PolarHBondContact O-N 3.15Å; R137-N139 VanDerWaalsContact O-N 3.08Å
138P52.9Low43.7Very low131 Ų131131.2 Ų131.285%0.85180%0.801SS**  trans-67.7112164.125.7-29.1000108.6R140P138-R140 PolarHBondContact O-N 3.02Å
139N44.7Very low44Very low155 Ų155135.4 Ų135.483%0.82980%0.8SS**  trans-65.3113.2174.3-153.8-25.1000108.5R137 G141R137-N139 PolarHBondContact O-N 3.15Å; R137-N139 VanDerWaalsContact O-N 3.08Å; N139-G141 PolarHBondContact O-N 3.09Å; N139-G141 VanDerWaalsContact O-N 3.12Å
140R45.4Very low44.1Very low246 Ų246142.8 Ų142.893%0.92880%0.8SS**SBendtrans-66.497166.2171.9-178.7-98.3-177.3-8107.1P138P138-R140 PolarHBondContact O-N 3.02Å
141G39.4Very low44.4Very low66 Ų66147.7 Ų147.768%0.6881%0.806SS**  trans179.143.7-178.600000113N139 M143N139-G141 PolarHBondContact O-N 3.09Å; N139-G141 VanDerWaalsContact O-N 3.12Å; G141-M143 PolarHBondContact O-N 3.17Å
142G40.8Very low44.6Very low80 Ų80141.1 Ų141.183%0.82580%0.795SS**  trans-86.295.3173.700000110.6G144G142-G144 PolarHBondContact O-N 3.38Å
143M42.4Very low45.1Very low202 Ų202145.2 Ų145.2100%0.99580%0.803SS**  trans-61.588.5156.4-81.5157.388.800108G141G141-M143 PolarHBondContact O-N 3.17Å
144G43.7Very low46Very low59 Ų59145.7 Ų145.761%0.60881%0.805SS**  trans-90.3112.3167.800000109.1G142 F146G142-G144 PolarHBondContact O-N 3.38Å; G144-F146 PolarHBondContact O-N 3.21Å; G144-F146 VanDerWaalsContact O-N 3.13Å
145G42.3Very low47.1Very low80 Ų80145.3 Ų145.383%0.82580%0.8SS**  trans-60.7110.3173.800000111.4G147G145-G147 PolarHBondContact O-N 3.03Å; G145-G147 VanDerWaalsContact O-N 3.12Å
146F46.2Very low48.1Very low211 Ų211142 Ų14293%0.92580%0.804SS**  trans-79.977.4158.2-86.5-92.1000108.8G144G144-F146 PolarHBondContact O-N 3.21Å; G144-F146 VanDerWaalsContact O-N 3.13Å
147G42.1Very low48.7Very low82 Ų82142.2 Ų142.285%0.84581%0.806SS**  trans-89.598.9152.900000107.4G145G145-G147 PolarHBondContact O-N 3.03Å; G145-G147 VanDerWaalsContact O-N 3.12Å
148G49.6Very low49.1Very low60 Ų60138.8 Ų138.862%0.61980%0.804SS**SBendtrans-17988.4-174.800000112.1
149Q49.4Very low49.1Very low169 Ų169137 Ų13779%0.7980%0.795SS**  trans60.775.5157.3-48.7-148.2-4.100116.9Q151Q149-Q151 PolarHBondContact O-N 3.06Å
150R44.5Very low49.6Very low242 Ų242141.1 Ų141.191%0.91380%0.799SS**  trans-73.5104.7149.6-60.1-175.7-169-113.40.9106.7S152R150-S152 PolarHBondContact O-N 3.16Å
151Q49.6Very low50Low168 Ų168138.2 Ų138.279%0.78580%0.796SS**  trans-67.987.6166.8-69.6169.526.400107.5Q149 Y153Q149-Q151 PolarHBondContact O-N 3.06Å; Q151-Y153 PolarHBondContact O-N 3.1Å
152S48.3Very low50.8Low89 Ų89143.7 Ų143.762%0.62280%0.804SS**  trans-70.7112.7165.5-59.80000107.4R150 H154R150-S152 PolarHBondContact O-N 3.16Å; S152-H154 PolarHBondContact O-N 2.97Å; S152-H154 PolarHBondContact O-ND1 3.49Å
153Y54.3Low51.3Low234 Ų234147.5 Ų147.592%0.91880%0.804SS**  trans-53.8110165.1-97.4-96.8000108.5Q151Q151-Y153 PolarHBondContact O-N 3.1Å
154H58.6Low52Low158 Ų158144.9 Ų144.973%0.73180%0.795SS**PPolyproline II helixtrans-102.4121.8167.937.1-83.8000107.1S152S152-H154 PolarHBondContact O-N 2.97Å; S152-H154 PolarHBondContact O-ND1 3.49Å
155P65.1Low52.5Low107 Ų107150.7 Ų150.770%0.69581%0.806SS**PPolyproline II helixtrans-64134.9170.926.8-31.7000108.8G157P155-G157 PolarHBondContact O-N 3.14Å
156P60.5Low53.3Low135 Ų135151.8 Ų151.888%0.87780%0.799SS**SBendtrans-71.6124.1173.428.7-30.3000108.6
157G56.2Low53.6Low73 Ų73149.8 Ų149.875%0.75380%0.796SS**  trans150.2-0.3169.400000118.8P155P155-G157 PolarHBondContact O-N 3.14Å
158L56.2Low54.1Low167 Ų167151.9 Ų151.987%0.87479%0.792SS**  trans-113.2113.6178.7-69169.3000111.2
159S51.6Low54.3Low95 Ų95158.6 Ų158.666%0.66480%0.804SS**  trans-61.5142.1174.342.40000111.2E161S159-E161 PolarHBondContact O-N 3.49Å; S159-E161 VanDerWaalsContact O-N 3.12Å
160R55.7Low54.1Low240 Ų240157.5 Ų157.591%0.90680%0.804SS**THydrogen-bonded Turntrans-74.57.1-169.2-172.8170.9177.5-173.6-1114.7
161E54.6Low54.1Low185 Ų185151 Ų15186%0.86479%0.793SS**THydrogen-bonded Turntrans-101.78.4-166.7-73.1-178.9113.400115.6S159S159-E161 PolarHBondContact O-N 3.49Å; S159-E161 VanDerWaalsContact O-N 3.12Å
162Q54.8Low54Low182 Ų182151.1 Ų151.185%0.8579%0.794SS**SBendtrans-114.316.4-174.1-135.1168.78800115.3
163L52.5Low54.2Low159 Ų159152.1 Ų152.183%0.83280%0.801SS**  trans-102.912.4-175-71.4175.4000115.6
164N56.3Low54.1Low148 Ų148148.2 Ų148.279%0.79180%0.796SS**  trans-12479.8176.7-82.9-0.6000110.8
165E54Low53.5Low180 Ų180145.8 Ų145.884%0.84180%0.796SS**  trans-137.5125.7158.5-75.5-68.4114.100109.4
166P58.6Low53Low104 Ų104147 Ų14768%0.67580%0.802SS**  trans-77.8127.4-176.730.1-32.6000111.7T168P166-T168 PolarHBondContact O-N 3.23Å
167I52.3Low51.9Low169 Ų169147.4 Ų147.487%0.86780%0.797SS**  trans-65.2101.7171.6-63.7171000108.9
168T54.4Low51Low126 Ų126149.3 Ų149.377%0.77380%0.799SS**PPolyproline II helixtrans-90.1144.2169.451.40000110.9P166P166-T168 PolarHBondContact O-N 3.23Å
169K52.1Low50.3Low200 Ų200147.3 Ų147.387%0.8779%0.794SS**PPolyproline II helixtrans-75.5138.8-167.4-65.4168.9178.5174.60112.2
170N45.4Very low50.1Low146 Ų146148.1 Ų148.178%0.78180%0.799SS**PPolyproline II helixtrans-64.9140.1165.3-159.10.7000110.1Q172N170-Q172 PolarHBondContact OD1-N 3.2Å
171P46Very low49.3Very low105 Ų105143 Ų14368%0.68280%0.8SS**  -148.114210236-19.1000114
172Q47.3Very low48.9Very low172 Ų172137.3 Ų137.380%0.80479%0.791SS**  trans152.1140.5131.7-81.1174.1-81.100112N170N170-Q172 PolarHBondContact OD1-N 3.2Å
173S52.2Low48.5Very low110 Ų110135.4 Ų135.477%0.76980%0.798SS**  trans77.798.3162.2630000120.5
174N51.6Low48.4Very low152 Ų152130.6 Ų130.681%0.81379%0.787SS**  47.2114.6122.7-59.2-7000120.9
175S46.9Very low48.2Very low106 Ų106127.2 Ų127.274%0.74179%0.787SS**  trans39.9113.3137.262.80000116.7
176T53.2Low48.6Very low132 Ų132126.3 Ų126.381%0.8179%0.788SS**  cis-164.5150.44942.50000109.6
177D38.7Very low48.9Very low145 Ų145132.3 Ų132.378%0.77580%0.797SS**  trans-36.1126.4-176.3-153.93.2000116.7
178S35.7Very low49.8Very low113 Ų113130.1 Ų130.179%0.7979%0.794SS**  trans-156.668.8174.9-67.60000110.1
179T41.7Very low50.5Low125 Ų125133.1 Ų133.177%0.76780%0.796SS**  trans-151.5139.8163.759.60000106.7
180S47.4Very low51.5Low112 Ų112130.7 Ų130.778%0.78379%0.792SS**  cis-162.3149.725.445.30000108.4G182S180-G182 PolarHBondContact O-N 3Å
181S39.1Very low53Low131 Ų131130.7 Ų130.792%0.91679%0.792SS**  trans-63.3105.8174.8490000111.5
182G47.1Very low54.3Low66 Ų66132.7 Ų132.768%0.6880%0.796SS**  trans-139.8117.717200000109.6S180 G184S180-G182 PolarHBondContact O-N 3Å; G182-G184 PolarHBondContact O-N 3.01Å
183S46.3Very low56Low143 Ų143134 Ų134100%180%0.799SS**  trans-39.9114.7176.9-168.60000113.1
184G49.5Very low57.2Low58 Ų58136.2 Ų136.260%0.59880%0.801SS**  trans-172.736.9-175.900000114.5G182 D186G182-G184 PolarHBondContact O-N 3.01Å; G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.35Å
185G52.4Low58.3Low77 Ų77138 Ų13879%0.79480%0.796SS**THydrogen-bonded Turntrans-63.70.2-163.300000119.7
186D61.8Low59.7Low161 Ų161142.3 Ų142.386%0.86181%0.805SS**THydrogen-bonded Turntrans-130.422.2-170-70.4-64.5000115.6G184 P188G184-D186 VanDerWaalsContact C-N 3.27Å; G184-D186 PolarHBondContact O-N 3.35Å; D186-P188 WeakPolarHBondContact O-CD 3.4Å
187R65.5Low60.6Low229 Ų229139.5 Ų139.586%0.86480%0.795SS**  trans-93.9111.3171-74.3-176.6173.2175.7-1.5110.7K189R187-K189 PolarHBondContact O-N 3.03Å
188P71.7Confident62.2Low123 Ų123138.4 Ų138.480%0.79980%0.795SS**  trans-61.9126.6177.425.3-32.6000109.8D186 L190D186-P188 WeakPolarHBondContact O-CD 3.4Å; P188-L190 PolarHBondContact O-N 3.26Å
189K69.6Low63.8Low190 Ų190136.6 Ų136.683%0.82678%0.779SS**  trans-66.7123.6175-71.6178.3177.9177.90108.9R187 N191R187-K189 PolarHBondContact O-N 3.03Å; K189-N191 PolarHBondContact O-N 3.02Å; K189-N191 VanDerWaalsContact O-N 3.1Å
190L72.2Confident64.9Low148 Ų148135.2 Ų135.278%0.77577%0.767SS**  trans-71.4104.6178.5-144.883.3000109.2P188 L192P188-L190 PolarHBondContact O-N 3.26Å; L190-L192 HydrophobicContact CB-CD1 4.29Å; L190-L192 HydrophobicContact CD2-CD1 3.69Å; L190-L192 HydrophobicContact CD2-CG 4.28Å; L190-L192 HydrophobicContact CG-CD1 4.26Å; L190-L192 PolarHBondContact O-N 3.19Å
191N76.9Confident65.7Low147 Ų147134.7 Ų134.779%0.78676%0.759SS**  trans-84.785173.6-74.7-21000109.4K189 K193K189-N191 PolarHBondContact O-N 3.02Å; K189-N191 VanDerWaalsContact O-N 3.1Å; N191-K193 PolarHBondContact O-N 3.07Å
192L73.7Confident66.8Low146 Ų146132.7 Ų132.776%0.76474%0.739SS**  trans-69115.7171.1-74.298.2000109.5L190L190-L192 HydrophobicContact CB-CD1 4.29Å; L190-L192 HydrophobicContact CD2-CD1 3.69Å; L190-L192 HydrophobicContact CD2-CG 4.28Å; L190-L192 HydrophobicContact CG-CD1 4.26Å; L190-L192 PolarHBondContact O-N 3.19Å
193K82.1Confident67.4Low200 Ų200134 Ų13487%0.8773%0.73SS**PPolyproline II helixtrans-71143.5167.3-65.5-178.9179.9-178.70109.3N191 R195N191-K193 PolarHBondContact O-N 3.07Å; K193-R195 PolarHBondContact O-N 3.12Å
194I79.2Confident68Low156 Ų156131.5 Ų131.580%0.871%0.705SS**PPolyproline II helixtrans-60.2133.4170.6-58.6172.3000107.5E196I194-E196 PolarHBondContact O-N 3.32Å
195R72.8Confident68.4Low191 Ų191137 Ų13772%0.72171%0.708SS**PPolyproline II helixtrans-66.9125.4175.154.9-175.8177.5-1751.3110.1K193 V199K193-R195 PolarHBondContact O-N 3.12Å; R195-V199 VanDerWaalsContact CZ-CG2 3.5Å
196E77.2Confident68.7Low196 Ų196139.7 Ų139.792%0.91670%0.7SS**  trans-90.9-18.5177.8-64.2179.6-179.600112.6I194I194-E196 PolarHBondContact O-N 3.32Å
197A72.7Confident68.5Low73 Ų73137.2 Ų137.260%0.60369%0.686SS**SBendtrans-92.3138.9177.400000111.6
198P71.7Confident68.5Low121 Ų121129 Ų12979%0.78666%0.664SS**PPolyproline II helixtrans-62.5144.4174.327.5-33.5000110.4N200P198-N200 PolarHBondContact O-N 3.21Å
199V69.2Low68.2Low76 Ų76128.6 Ų128.646%0.46165%0.651SS.*PPolyproline II helixtrans-58120.2175.9171.80000108.9R195 T201R195-V199 VanDerWaalsContact CZ-CG2 3.5Å; V199-T201 PolarHBondContact O-N 3.1Å; V199-T201 VanDerWaalsContact O-N 3.13Å
200N64.2Low67.9Low96 Ų96128.5 Ų128.551%0.51365%0.646SS.*  trans-77.3100.3178.9-146.9-15.3000108P198 N202 D203P198-N200 PolarHBondContact O-N 3.21Å; N200-N202 PolarHBondContact O-N 3Å; N200-N202 PolarHBondContact OD1-ND2 3.15Å; N200-D203 PolarHBondContact O-N 3.21Å
201T64.6Low67.5Low100 Ų100123.7 Ų123.761%0.61363%0.627SS**Hα-helixtrans-60-9.2-17752.80000114V199 D203 R205V199-T201 PolarHBondContact O-N 3.1Å; V199-T201 VanDerWaalsContact O-N 3.13Å; T201-D203 VanDerWaalsContact C-N 3.33Å; T201-R205 PolarHBondContact O-N 3.31Å
202N61.8Low66.9Low90 Ų90124 Ų12448%0.48162%0.618SS.*Hα-helixtrans-71.1-28.2175-62.8-51.8000112.4N200 R205 Q206N200-N202 PolarHBondContact O-N 3Å; N200-N202 PolarHBondContact OD1-ND2 3.15Å; N202-R205 WeakPolarHBondContact O-CB 3.36Å; N202-R205 PolarHBondContact O-N 3Å; N202-Q206 PolarHBondContact O-N 2.9Å
203D59.3Low66.7Low93 Ų93121 Ų12150%0.49761%0.614SS.*Hα-helixtrans-70.5-35.9178-63.5-39.5000111N200 T201 R205 Q206 L207N200-D203 PolarHBondContact O-N 3.21Å; T201-D203 VanDerWaalsContact C-N 3.33Å; D203-R205 VanDerWaalsContact C-N 3.3Å; D203-R205 PolarHBondContact O-N 2.94Å; D203-Q206 PolarHBondContact O-N 3.41Å; D203-L207 WeakPolarHBondContact O-CD1 3.32Å; D203-L207 WeakPolarHBondContact O-CG 3.3Å; D203-L207 PolarHBondContact O-N 3.31Å
204D59.1Low65.9Low91 Ų91117.2 Ų117.249%0.48760%0.602SS.*Hα-helixtrans-65.3-32.7172.8-69.1-51.9000112.3L207 S208D204-L207 PolarHBondContact O-N 3.48Å; D204-S208 VanDerWaalsContact O-CB 3.23Å; D204-S208 WeakPolarHBondContact O-CB 3.42Å; D204-S208 PolarHBondContact O-N 2.97Å
205R58.3Low65Low173 Ų173118.3 Ų118.365%0.65360%0.601SS**Hα-helixtrans-67.4-41.2177.6-164.4176.9-177.2164.32.1111.4T201 N202 D203 S208 E209T201-R205 PolarHBondContact O-N 3.31Å; N202-R205 WeakPolarHBondContact O-CB 3.36Å; N202-R205 PolarHBondContact O-N 3Å; D203-R205 VanDerWaalsContact C-N 3.3Å; D203-R205 PolarHBondContact O-N 2.94Å; R205-S208 PolarHBondContact O-N 3.33Å; R205-E209 PolarHBondContact O-N 2.84Å
206Q58.2Low64.5Low133 Ų133111.4 Ų111.462%0.62159%0.59SS**Hα-helixtrans-69.4-38.7175.8-65.3-172.618.400111.9N202 D203 S208 E209 R210N202-Q206 PolarHBondContact O-N 2.9Å; D203-Q206 PolarHBondContact O-N 3.41Å; Q206-S208 VanDerWaalsContact C-N 3.31Å; Q206-S208 PolarHBondContact O-N 3.43Å; Q206-E209 PolarHBondContact O-N 2.96Å; Q206-R210 VanDerWaalsContact O-CB 3.28Å; Q206-R210 WeakPolarHBondContact O-CB 3.5Å; Q206-R210 PolarHBondContact O-N 3.45Å
207L59.1Low63.9Low110 Ų110107.3 Ų107.358%0.57658%0.578SS**Hα-helixtrans-63.6-36.9172.9-74.3160.6000111.7D203 D204 A211D203-L207 WeakPolarHBondContact O-CD1 3.32Å; D203-L207 WeakPolarHBondContact O-CG 3.3Å; D203-L207 PolarHBondContact O-N 3.31Å; D204-L207 PolarHBondContact O-N 3.48Å; L207-A211 WeakPolarHBondContact O-CB 3.19Å; L207-A211 PolarHBondContact O-N 3.04Å
208S64.7Low63.4Low57 Ų57107.4 Ų107.440%0.39959%0.586SS.*Hα-helixtrans-69.8-40.9176.9-174.40000113D204 R205 Q206 A211 R212D204-S208 VanDerWaalsContact O-CB 3.23Å; D204-S208 WeakPolarHBondContact O-CB 3.42Å; D204-S208 PolarHBondContact O-N 2.97Å; R205-S208 PolarHBondContact O-N 3.33Å; Q206-S208 VanDerWaalsContact C-N 3.31Å; Q206-S208 PolarHBondContact O-N 3.43Å; S208-A211 PolarHBondContact O-N 3.34Å; S208-R212 WeakPolarHBondContact O-CB 3.28Å; S208-R212 VanDerWaalsContact O-CG 3.32Å; S208-R212 WeakPolarHBondContact O-CG 3.39Å; S208-R212 PolarHBondContact O-N 2.86Å
209E65Low62.9Low114 Ų114112.8 Ų112.853%0.53359%0.591SS.*Hα-helixtrans-67.3-40.3173.5-77.7178.5165.900112R205 Q206 R212 A213R205-E209 PolarHBondContact O-N 2.84Å; Q206-E209 PolarHBondContact O-N 2.96Å; E209-R212 WeakPolarHBondContact O-CB 3.47Å; E209-R212 PolarHBondContact O-N 3.49Å; E209-A213 PolarHBondContact O-N 3.35Å
210R64.6Low62.9Low187 Ų187114.9 Ų114.971%0.70661%0.606SS**Hα-helixtrans-66.6-37.6174.9-159173.2-171.9167.21.6111.7Q206 A213 I214Q206-R210 VanDerWaalsContact O-CB 3.28Å; Q206-R210 WeakPolarHBondContact O-CB 3.5Å; Q206-R210 PolarHBondContact O-N 3.45Å; R210-A213 PolarHBondContact O-N 2.99Å; R210-I214 VanDerWaalsContact O-CG1 3.3Å; R210-I214 WeakPolarHBondContact O-CG1 3.23Å; R210-I214 PolarHBondContact O-N 3.48Å; R210-I214 VanDerWaalsContact O-N 3.12Å
211A64.2Low62.8Low47 Ų47122 Ų12239%0.38863%0.625SS.*Hα-helixtrans-66.5-39173.400000112.3L207 S208 A213 I214 F215L207-A211 WeakPolarHBondContact O-CB 3.19Å; L207-A211 PolarHBondContact O-N 3.04Å; S208-A211 PolarHBondContact O-N 3.34Å; A211-A213 VanDerWaalsContact C-N 3.32Å; A211-A213 PolarHBondContact O-N 3.24Å; A211-I214 PolarHBondContact O-N 3.43Å; A211-F215 PolarHBondContact O-N 3.49Å
212R63.8Low63Low154 Ų154125.9 Ų125.958%0.58164%0.637SS**Hα-helixtrans-63.8-34.5172.8-80.3171.2156169.6-4.3112.8S208 E209 G216 V217S208-R212 WeakPolarHBondContact O-CB 3.28Å; S208-R212 VanDerWaalsContact O-CG 3.32Å; S208-R212 WeakPolarHBondContact O-CG 3.39Å; S208-R212 PolarHBondContact O-N 2.86Å; E209-R212 WeakPolarHBondContact O-CB 3.47Å; E209-R212 PolarHBondContact O-N 3.49Å; R212-G216 WeakPolarHBondContact O-CA 3.45Å; R212-G216 PolarHBondContact O-N 3.27Å; R212-V217 HydrophobicContact CG-CG1 4.26Å
213A69.1Low63.2Low84 Ų84126.2 Ų126.269%0.69465%0.652SS**Hα-helixtrans-72-32.517600000112.9E209 R210 A211E209-A213 PolarHBondContact O-N 3.35Å; R210-A213 PolarHBondContact O-N 2.99Å; A211-A213 VanDerWaalsContact C-N 3.32Å; A211-A213 PolarHBondContact O-N 3.24Å
214I65.2Low63.1Low120 Ų120126.8 Ų126.862%0.61566%0.663SS**Hα-helixtrans-76.7-44.8178.8-66.6164.5000111.4R210 A211R210-I214 VanDerWaalsContact O-CG1 3.3Å; R210-I214 WeakPolarHBondContact O-CG1 3.23Å; R210-I214 PolarHBondContact O-N 3.48Å; R210-I214 VanDerWaalsContact O-N 3.12Å; A211-I214 PolarHBondContact O-N 3.43Å
215F60.7Low63.3Low178 Ų178128.4 Ų128.478%0.78168%0.679SS**Hα-helixtrans-96.5-10.4-173.5-72.2-75.3000114.9A211A211-F215 PolarHBondContact O-N 3.49Å
216G61.3Low63.5Low47 Ų47127.4 Ų127.449%0.48569%0.685SS.*  trans64.8133.2-174.600000111.7R212 G218R212-G216 WeakPolarHBondContact O-CA 3.45Å; R212-G216 PolarHBondContact O-N 3.27Å; G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 3.37Å
217V66.4Low63.1Low109 Ų109130.5 Ų130.566%0.66169%0.691SS**  trans-71.296.3166.1-79.20000107.8R212 R219R212-V217 HydrophobicContact CG-CG1 4.26Å; V217-R219 PolarHBondContact O-N 3.29Å
218G60.1Low63.1Low75 Ų75133.8 Ų133.877%0.77370%0.703SS**  trans-51.2111.7-179.400000110.8G216G216-G218 VanDerWaalsContact C-N 3.34Å; G216-G218 PolarHBondContact O-N 3.37Å
219R62.9Low62.8Low234 Ų234138.1 Ų138.188%0.88372%0.715SS**PPolyproline II helixtrans-67.8134.1172.1-67.3-176.1-174179.81.9108V217 R221V217-R219 PolarHBondContact O-N 3.29Å; R219-R221 PolarHBondContact O-N 3.04Å
220P68Low62.1Low121 Ų121141.9 Ų141.979%0.78673%0.729SS**PPolyproline II helixtrans-57.8132172.123.4-30.6000109.1E222P220-E222 PolarHBondContact O-N 3.4Å
221R63.3Low61.5Low244 Ų244141.7 Ų141.792%0.92174%0.742SS**PPolyproline II helixtrans-60.6129.5175.463.5-173.6-178.9-146.2-1.9109.4R219R219-R221 PolarHBondContact O-N 3.04Å
222E68Low60.7Low182 Ų182144.3 Ų144.385%0.8576%0.757SS**PPolyproline II helixtrans-68.2138168.8-65.5-168.1171.900109.3P220 S224P220-E222 PolarHBondContact O-N 3.4Å; E222-S224 PolarHBondContact O-N 3.42Å
223A65.3Low60.3Low97 Ų97141.5 Ų141.580%0.80276%0.761SS**PPolyproline II helixtrans-65.1118.4177.100000109.2
224S57.3Low59.6Low105 Ų105146.4 Ų146.473%0.73477%0.769SS**PPolyproline II helixtrans-63.9134.6174.8-49.50000109.7E222 I226E222-S224 PolarHBondContact O-N 3.42Å; S224-I226 PolarHBondContact O-N 2.91Å; S224-I226 VanDerWaalsContact O-N 3.15Å
225P63.2Low59.1Low125 Ų125149.1 Ų149.181%0.81278%0.78SS**PPolyproline II helixtrans-63.7119.5178.523.3-30.7000109.8R227P225-R227 PolarHBondContact O-N 3.13Å
226I62.3Low58.6Low152 Ų152148.9 Ų148.978%0.77979%0.787SS**PPolyproline II helixtrans-56.6120.1171.1-72.8165.9000107.5S224 E228S224-I226 PolarHBondContact O-N 2.91Å; S224-I226 VanDerWaalsContact O-N 3.15Å; I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 HydrophobicContact CG2-CG 4Å; I226-E228 PolarHBondContact O-N 3.06Å
227R51.6Low58.5Low198 Ų198151.3 Ų151.375%0.74780%0.802SS**  trans-7882.7176.7-168.6177.9-1631694.9108.9P225 K229P225-R227 PolarHBondContact O-N 3.13Å; R227-K229 HydrophobicContact CG-CD 4.5Å; R227-K229 HydrophobicContact CG-CG 4.22Å; R227-K229 PolarHBondContact O-N 3.17Å
228E58.3Low58.1Low180 Ų180153 Ų15384%0.84181%0.813SS**  trans-69.497.4166-68.7-170.2158.600108.9I226I226-E228 VanDerWaalsContact C-N 3.31Å; I226-E228 HydrophobicContact CG2-CG 4Å; I226-E228 PolarHBondContact O-N 3.06Å
229K57.7Low57.8Low148 Ų148153.1 Ų153.164%0.64381%0.814SS**  trans-105.796165.8-88.5-174.1169.3-172.20109R227R227-K229 HydrophobicContact CG-CD 4.5Å; R227-K229 HydrophobicContact CG-CG 4.22Å; R227-K229 PolarHBondContact O-N 3.17Å
230K50.1Low57.5Low192 Ų192147.7 Ų147.784%0.83581%0.811SS**  51.680.8127.3-146.8178.6-170.7-171.40116
231L51.7Low57Low184 Ų184147.7 Ų147.796%0.96381%0.814SS**  trans-118.479.4154.9-82.3155.8000106.8
232S49.3Very low56.6Low101 Ų101149.1 Ų149.171%0.70683%0.832SS**  trans-150.272.917252.90000109.6
233S54.3Low56.1Low96 Ų96147.5 Ų147.567%0.67183%0.831SS**  trans-166.7135.2161.748.60000107.2
234E54.8Low55.6Low186 Ų186150.2 Ų150.287%0.86983%0.832SS**  trans78.7115179.3-50163130.300111.2
235E55.2Low55.5Low178 Ų178152.7 Ų152.783%0.83284%0.838SS**  cis-146.7139.533.7-76.2163.882.400108.6
236N50.5Low55Low173 Ų173154.3 Ų154.393%0.92584%0.839SS**  trans166.775.4146.2-87.3-35.4000109.1
237A57.9Low54.6Low97 Ų97154.4 Ų154.480%0.80284%0.843SS**  trans-175.874.1159.400000112.2
238T58Low54.8Low146 Ų146151.5 Ų151.590%0.89685%0.849SS**  trans-150.3116147.854.40000104.5
239G53.9Low54.5Low77 Ų77149.5 Ų149.579%0.79485%0.85SS**  cis111.8102.144.600000106.3
240S56.3Low54.3Low119 Ų119149.6 Ų149.683%0.83287%0.866SS**  trans-23.8137.3177.9-56.50000118.2
241S59Low54.6Low121 Ų121146.1 Ų146.185%0.84687%0.868SS**  trans-171.798.7137.7-84.40000110.5
242Q54.3Low54.9Low275 Ų275142.6 Ų142.6100%1.28586%0.86SS**  trans-1670131.2-85-143.4-50.200108.6

Retrieved 242 of 242 residues in 56.3 ms (Link to these results)

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