G4V7G3_SCHMA Loading...

Proteasome assembly chaperone 2

Chaperone protein which promotes assembly of the 20S proteasome as part of a heterodimer with PSMG1.

AlphaFold DB , UniProt , Accession G4V7G3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 266 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
1M37.4Very low48.5Very low246 Ų246107.8 Ų107.8100%1.21264%0.644SS**  0113.40-78.2168.3156.800106.7S3M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.16Å
2S35.8Very low50Low94 Ų94101.9 Ų101.966%0.65761%0.609SS**  trans-61.6113.9175.3176.10000107.8H4S2-H4 PolarHBondContact O-N 3.01Å
3S36Very low51.7Low115 Ų115102.3 Ų102.380%0.80461%0.606SS**  trans-69.885.3163.956.80000106.6M1 S5M1-S3 PolarHBondContact O-N 3.11Å; M1-S3 VanDerWaalsContact O-N 3.16Å; S3-S5 PolarHBondContact O-N 3.19Å
4H40.1Very low52.9Low144 Ų14499.3 Ų99.367%0.66759%0.592SS**  trans-55.2114.5152.7-73.4-74.6000104.5S2 D6S2-H4 PolarHBondContact O-N 3.01Å; H4-D6 PolarHBondContact O-N 3.32Å
5S43.9Very low54.8Low110 Ų11097.9 Ų97.977%0.76958%0.58SS**  trans-64.689.8164.260.90000104.7S3 S7S3-S5 PolarHBondContact O-N 3.19Å; S5-S7 PolarHBondContact O-N 3.16Å
6D46.7Very low56.9Low140 Ų14097.1 Ų97.175%0.74957%0.565SS**  trans-63.277.9167.8-70.5-28.5000105.8H4 L8H4-D6 PolarHBondContact O-N 3.32Å; D6-L8 PolarHBondContact O-N 3.22Å
7S53.1Low59Low79 Ų7991.4 Ų91.455%0.55253%0.532SS*.  trans-65.4108.8169.560.50000105.2S5 F9S5-S7 PolarHBondContact O-N 3.16Å; S7-F9 WeakPolarHBondContact CB-O 3.28Å; S7-F9 PolarHBondContact O-N 3.4Å; S7-F9 PolarHBondContact OG-O 2.86Å
8L53.9Low61Low76 Ų7689.8 Ų89.840%0.39853%0.526SS..SBendtrans-51-19.9168.9-87.8100.4000111.9D6 E109D6-L8 PolarHBondContact O-N 3.22Å; L8-E109 HydrophobicContact CD2-CG 4.23Å; L8-E109 WeakPolarHBondContact CD2-OE1 3.45Å
9F61.2Low62.7Low49 Ų4987.3 Ų87.322%0.21551%0.514CS..SBendtrans-107.2146.8-174.6-49.8-41.9000110.9S7 T112 F113 M117S7-F9 WeakPolarHBondContact CB-O 3.28Å; S7-F9 PolarHBondContact O-N 3.4Å; S7-F9 PolarHBondContact OG-O 2.86Å; F9-T112 HydrophobicContact CE2-CG2 4.19Å; F9-T112 HydrophobicContact CZ-CG2 4Å; F9-F113 HydrophobicContact CD1-CB 4Å; F9-F113 AromaticContact CD1-CD2 3.29Å; F9-F113 HydrophobicContact CD1-CD2 3.29Å; F9-F113 HydrophobicContact CD1-CE2 4.16Å; F9-F113 HydrophobicContact CD1-CG 4.06Å; F9-F113 VanDerWaalsContact CE1-CA 3.46Å; F9-F113 HydrophobicContact CE1-CB 3.38Å; F9-F113 AromaticContact CE1-CD2 3.65Å; F9-F113 HydrophobicContact CE1-CD2 3.65Å; F9-F113 AromaticContact CE1-CG 3.95Å; F9-F113 HydrophobicContact CE1-CG 3.95Å; F9-F113 HydrophobicContact CG-CD2 4.06Å; F9-F113 HydrophobicContact CZ-CB 3.97Å; F9-M117 HydrophobicContact CB-CE 3.89Å; F9-M117 HydrophobicContact CG-CE 4.42Å
10P60.8Low64.4Low23 Ų2383.4 Ų83.415%0.14949%0.49CS..  trans-62.615218030.4-37.9000110.7V12 S50 L52P10-V12 HydrophobicContact CB-CG2 3.86Å; P10-V12 HydrophobicContact CG-CB 4.43Å; P10-V12 HydrophobicContact CG-CG2 3.94Å; P10-V12 PolarHBondContact O-N 2.91Å; P10-S50 VanDerWaalsContact CB-CB 3.47Å; P10-S50 VanDerWaalsContact CB-OG 3.25Å; P10-S50 WeakPolarHBondContact CB-OG 3.22Å; P10-S50 WeakPolarHBondContact CG-OG 3.11Å; P10-L52 HydrophobicContact CG-CD2 4.44Å
11A64.7Low65.9Low110 Ų11080.3 Ų80.391%0.90947%0.472SS*.SBendtrans-72.554.1172.800000111.2
12V65.8Low68.8Low37 Ų3768.6 Ų68.622%0.22441%0.414CS..SBendtrans-100.5143.2174.2-179.20000107P10 C14 Y16 F17 I49P10-V12 HydrophobicContact CB-CG2 3.86Å; P10-V12 HydrophobicContact CG-CB 4.43Å; P10-V12 HydrophobicContact CG-CG2 3.94Å; P10-V12 PolarHBondContact O-N 2.91Å; V12-C14 PolarHBondContact O-N 2.96Å; V12-Y16 HydrophobicContact CG1-CD1 3.83Å; V12-Y16 HydrophobicContact CG1-CD2 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.59Å; V12-F17 HydrophobicContact CG1-CE2 4.2Å; V12-I49 HydrophobicContact CG2-CG2 3.99Å
13D73.1Confident71.8Confident107 Ų10764.1 Ų64.157%0.57238%0.383SS*.  trans-51.5130.7170.5-178.3-13.2000109.4N15 Y16D13-N15 PolarHBondContact O-N 3.29Å; D13-N15 PolarHBondContact OD1-N 3.07Å; D13-Y16 VanDerWaalsContact O-CB 3.28Å; D13-Y16 WeakPolarHBondContact O-CB 3.46Å; D13-Y16 PolarHBondContact O-N 3.47Å
14C67.5Low74.8Confident60 Ų6058.8 Ų58.841%0.40535%0.345SS..THydrogen-bonded Turntrans-59-14.8-177.862.20000113.8V12V12-C14 PolarHBondContact O-N 2.96Å
15N81.3Confident77.6Confident78 Ų7851.9 Ų51.942%0.41731%0.313SS..THydrogen-bonded Turntrans-104.2-0.6176.3-55.9-55.4000114.4D13 F17 S18 K118D13-N15 PolarHBondContact O-N 3.29Å; D13-N15 PolarHBondContact OD1-N 3.07Å; N15-F17 PolarHBondContact O-N 2.76Å; N15-F17 VanDerWaalsContact O-N 3.16Å; N15-S18 WeakPolarHBondContact O-CB 3.35Å; N15-S18 PolarHBondContact O-N 2.95Å; N15-S18 VanDerWaalsContact O-N 3.07Å; N15-S18 PolarHBondContact O-OG 2.78Å; N15-K118 PolarHBondContact OD1-NZ 3.42Å
16Y88.4Confident80.2Confident85 Ų8546.8 Ų46.833%0.33328%0.277SS..THydrogen-bonded Turntrans-53.4-40.3-177.5179.6-96000112.3V12 D13 Y20V12-Y16 HydrophobicContact CG1-CD1 3.83Å; V12-Y16 HydrophobicContact CG1-CD2 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.59Å; D13-Y16 VanDerWaalsContact O-CB 3.28Å; D13-Y16 WeakPolarHBondContact O-CB 3.46Å; D13-Y16 PolarHBondContact O-N 3.47Å; Y16-Y20 WeakPolarHBondContact O-CE2 3.37Å
17F93.8Very high82.7Confident1 Ų141 Ų410%0.00425%0.247CC..THydrogen-bonded Turntrans-93.76.3-176.8-66.5-64.8000114.9V12 N15 S19 Y20 I49 I81 A83 A90 M117 F119V12-F17 HydrophobicContact CG1-CE2 4.2Å; N15-F17 PolarHBondContact O-N 2.76Å; N15-F17 VanDerWaalsContact O-N 3.16Å; F17-S19 PolarHBondContact O-N 2.74Å; F17-Y20 AromaticContact CD1-CD1 3.92Å; F17-Y20 HydrophobicContact CD1-CD1 3.92Å; F17-Y20 HydrophobicContact CD1-CD2 4.31Å; F17-Y20 HydrophobicContact CD1-CE1 4.38Å; F17-Y20 AromaticContact CD1-CG 3.9Å; F17-Y20 HydrophobicContact CD1-CG 3.9Å; F17-Y20 HydrophobicContact CE1-CD1 4.37Å; F17-Y20 WeakPolarHBondContact O-CB 3.44Å; F17-Y20 PolarHBondContact O-N 3.03Å; F17-I49 HydrophobicContact CZ-CG2 4.33Å; F17-I81 HydrophobicContact CE1-CD1 4.16Å; F17-I81 HydrophobicContact CE2-CD1 3.92Å; F17-I81 HydrophobicContact CZ-CD1 3.66Å; F17-I81 HydrophobicContact CZ-CG1 4.41Å; F17-A83 HydrophobicContact CE1-CB 4.14Å; F17-A90 HydrophobicContact CD1-CB 4.13Å; F17-A90 HydrophobicContact CE1-CB 4.05Å; F17-M117 HydrophobicContact CD2-CB 4.47Å; F17-M117 HydrophobicContact CD2-SD 3.94Å; F17-M117 HydrophobicContact CE2-SD 4.22Å; F17-F119 HydrophobicContact CB-CD1 3.52Å; F17-F119 HydrophobicContact CB-CE1 3.33Å; F17-F119 HydrophobicContact CB-CG 4.26Å; F17-F119 HydrophobicContact CB-CZ 3.91Å; F17-F119 HydrophobicContact CD1-CD1 4.35Å; F17-F119 AromaticContact CD1-CE1 3.54Å; F17-F119 HydrophobicContact CD1-CE1 3.54Å; F17-F119 HydrophobicContact CD1-CZ 4.21Å; F17-F119 AromaticContact CD2-CE1 3.93Å; F17-F119 HydrophobicContact CD2-CE1 3.93Å; F17-F119 AromaticContact CD2-CZ 3.82Å; F17-F119 HydrophobicContact CD2-CZ 3.82Å; F17-F119 HydrophobicContact CE1-CE1 4.28Å; F17-F119 HydrophobicContact CE2-CZ 4.38Å; F17-F119 HydrophobicContact CG-CD1 4.06Å; F17-F119 AromaticContact CG-CE1 3.33Å; F17-F119 HydrophobicContact CG-CE1 3.33Å; F17-F119 AromaticContact CG-CZ 3.73Å; F17-F119 HydrophobicContact CG-CZ 3.73Å
18S94Very high84.7Confident62 Ų6237.8 Ų37.843%0.43423%0.227SC..THydrogen-bonded Turntrans-60.1-24.2-174.556.30000115.2N15 K118N15-S18 WeakPolarHBondContact O-CB 3.35Å; N15-S18 PolarHBondContact O-N 2.95Å; N15-S18 VanDerWaalsContact O-N 3.07Å; N15-S18 PolarHBondContact O-OG 2.78Å; S18-K118 WeakPolarHBondContact CA-O 3.45Å
19S94.2Very high86.8Confident42 Ų4234.5 Ų34.529%0.29421%0.21SC..THydrogen-bonded Turntrans-96.3-4174.952.40000113.9F17 Q88F17-S19 PolarHBondContact O-N 2.74Å; S19-Q88 VanDerWaalsContact CB-NE2 3.31Å; S19-Q88 PolarHBondContact OG-NE2 3.3Å; S19-Q88 VanDerWaalsContact OG-NE2 3.1Å
20Y96.1Very high88.5Confident10 Ų1032.3 Ų32.34%0.03920%0.201CC..PPolyproline II helixtrans-93.1141-168.6-73-124.4000112.1Y16 F17 A83 R85 Q88 A90 K120Y16-Y20 WeakPolarHBondContact O-CE2 3.37Å; F17-Y20 AromaticContact CD1-CD1 3.92Å; F17-Y20 HydrophobicContact CD1-CD1 3.92Å; F17-Y20 HydrophobicContact CD1-CD2 4.31Å; F17-Y20 HydrophobicContact CD1-CE1 4.38Å; F17-Y20 AromaticContact CD1-CG 3.9Å; F17-Y20 HydrophobicContact CD1-CG 3.9Å; F17-Y20 HydrophobicContact CE1-CD1 4.37Å; F17-Y20 WeakPolarHBondContact O-CB 3.44Å; F17-Y20 PolarHBondContact O-N 3.03Å; Y20-A83 HydrophobicContact CE1-CB 4.22Å; Y20-R85 WeakPolarHBondContact OH-CA 3.49Å; Y20-Q88 CarbonylContact C-O 3.56Å; Y20-Q88 WeakPolarHBondContact CA-O 3.45Å; Y20-Q88 WeakPolarHBondContact CB-O 3.41Å; Y20-Q88 HydrophobicContact CD1-CB 4.49Å; Y20-Q88 HydrophobicContact CD2-CB 4.21Å; Y20-Q88 HydrophobicContact CE2-CB 4.46Å; Y20-Q88 HydrophobicContact CG-CB 4.23Å; Y20-A90 HydrophobicContact CD1-CB 4.32Å; Y20-K120 WeakPolarHBondContact O-CB 3.42Å; Y20-K120 PolarHBondContact O-N 2.92Å
21N96.8Very high90.2Very high19 Ų1934.9 Ų34.910%0.10221%0.214CC..EExtended strand (participates in β ladder)trans-82.3130.2161.4-53.5-66.6000108.2Q88 A90 T121N21-Q88 PolarHBondContact N-O 2.65Å; N21-A90 PolarHBondContact O-N 2.99Å; N21-T121 WeakPolarHBondContact CB-OG1 3.47Å; N21-T121 PolarHBondContact OD1-OG1 3.49Å
22L98.1Very high91.8Very high0 Ų029.8 Ų29.80%017%0.171CC..EExtended strand (participates in β ladder)trans-100.1130.5174.3179.468000110.4V24 I81 A90 L92 L114 F119 T121 V122 V123L22-V24 HydrophobicContact CD2-CG2 3.53Å; L22-V24 HydrophobicContact CG-CG2 3.75Å; L22-I81 HydrophobicContact CD1-CD1 4.41Å; L22-A90 CarbonylContact C-O 3.53Å; L22-A90 WeakPolarHBondContact CA-O 3.31Å; L22-A90 HydrophobicContact CD1-CB 3.69Å; L22-L92 HydrophobicContact CD1-CB 3.98Å; L22-L114 HydrophobicContact CD2-CD2 3.24Å; L22-F119 HydrophobicContact CB-CB 4.17Å; L22-F119 HydrophobicContact CB-CD1 3.59Å; L22-F119 HydrophobicContact CB-CD2 4.13Å; L22-F119 HydrophobicContact CB-CE1 3.94Å; L22-F119 HydrophobicContact CB-CE2 4.45Å; L22-F119 HydrophobicContact CB-CG 3.7Å; L22-F119 HydrophobicContact CB-CZ 4.37Å; L22-F119 HydrophobicContact CD1-CD1 4.47Å; L22-F119 HydrophobicContact CD1-CE1 3.93Å; L22-F119 HydrophobicContact CD1-CE2 4.42Å; L22-F119 HydrophobicContact CD1-CZ 3.93Å; L22-F119 HydrophobicContact CD2-CD2 3.76Å; L22-F119 HydrophobicContact CD2-CE1 4.41Å; L22-F119 HydrophobicContact CD2-CE2 3.64Å; L22-F119 HydrophobicContact CD2-CG 4.22Å; L22-F119 HydrophobicContact CD2-CZ 4.01Å; L22-F119 HydrophobicContact CG-CD1 4.41Å; L22-F119 HydrophobicContact CG-CD2 4.48Å; L22-F119 HydrophobicContact CG-CE1 4.31Å; L22-F119 HydrophobicContact CG-CE2 4.39Å; L22-F119 HydrophobicContact CG-CG 4.49Å; L22-F119 HydrophobicContact CG-CZ 4.33Å; L22-T121 PolarHBondContact N-O 3.16Å; L22-V122 HydrophobicContact CB-CG2 4.45Å; L22-V122 HydrophobicContact CD2-CG1 4.34Å; L22-V122 HydrophobicContact CD2-CG2 4.4Å; L22-V123 PolarHBondContact O-N 2.99Å
23I98.7Very high93.4Very high0 Ų028.1 Ų28.10%016%0.161CC..EExtended strand (participates in β ladder)trans-103.7124.7166.8-50.2-56.2000108.5L40 L89 A90 V91 L92 V123 L125 L228 L232I23-L40 HydrophobicContact CG1-CD1 4.34Å; I23-L40 HydrophobicContact CG2-CD1 4.12Å; I23-L89 HydrophobicContact CD1-CD1 4.38Å; I23-L89 HydrophobicContact CG1-CD1 3.77Å; I23-A90 PolarHBondContact N-O 3.22Å; I23-V91 HydrophobicContact CB-CG2 4.45Å; I23-V91 CarbonylContact O-C 3.54Å; I23-V91 WeakPolarHBondContact O-CA 3.45Å; I23-L92 PolarHBondContact O-N 3.17Å; I23-V123 WeakPolarHBondContact CA-O 3.41Å; I23-V123 HydrophobicContact CD1-CB 3.68Å; I23-V123 HydrophobicContact CD1-CG1 4.32Å; I23-V123 HydrophobicContact CD1-CG2 3.83Å; I23-L125 HydrophobicContact CG2-CD1 3.33Å; I23-L125 HydrophobicContact CG2-CD2 4.21Å; I23-L125 HydrophobicContact CG2-CG 3.5Å; I23-L228 HydrophobicContact CD1-CD2 4.34Å; I23-L232 HydrophobicContact CD1-CD1 3.94Å
24V98.8Very high94.6Very high2 Ų223.5 Ų23.51%0.01214%0.136CC..EExtended strand (participates in β ladder)trans-112.2121.9-179.5-174.90000109.7L22 C26 L92 I94 V122 V123 L124 L125L22-V24 HydrophobicContact CD2-CG2 3.53Å; L22-V24 HydrophobicContact CG-CG2 3.75Å; V24-C26 PolarHBondContact O-N 3.37Å; V24-L92 HydrophobicContact CG1-CB 4.48Å; V24-L92 HydrophobicContact CG1-CD2 4.1Å; V24-L92 HydrophobicContact CG1-CG 4.34Å; V24-L92 HydrophobicContact CG2-CB 4.34Å; V24-L92 HydrophobicContact CG2-CD2 4.46Å; V24-I94 HydrophobicContact CG1-CD1 4.37Å; V24-V122 HydrophobicContact CG2-CG1 4.03Å; V24-V123 PolarHBondContact N-O 3.34Å; V24-L124 HydrophobicContact CB-CD2 3.94Å; V24-L124 HydrophobicContact CG1-CD2 4.4Å; V24-L124 HydrophobicContact CG2-CD2 4.06Å; V24-L125 PolarHBondContact O-N 3.09Å
25A98.7Very high96.1Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-76.599.6172.100000110.6V27 A33 Q34 C37 L92A25-V27 PolarHBondContact O-N 3.24Å; A25-A33 HydrophobicContact CB-CB 4.35Å; A25-Q34 HydrophobicContact CB-CG 4.27Å; A25-C37 HydrophobicContact CB-CB 4.21Å; A25-L92 PolarHBondContact N-O 3.37Å
26C98.5Very high96.9Very high2 Ų217.3 Ų17.31%0.01410%0.099CC..  trans-83.4109.8171.4-62.10000109.4V24 G28 A33 L125 A190V24-C26 PolarHBondContact O-N 3.37Å; C26-G28 PolarHBondContact O-N 3.26Å; C26-A33 WeakPolarHBondContact O-CB 3.33Å; C26-L125 WeakPolarHBondContact CA-O 3.33Å; C26-L125 WeakPolarHBondContact CB-O 3.38Å; C26-L125 PolarHBondContact N-O 2.98Å; C26-A190 HydrophobicContact CB-CB 3.83Å
27V98.1Very high97.4Very high18 Ų1813.2 Ų13.211%0.1098%0.083CC..  trans-56.6119.6179.8179.90000111.1A25 Q34 I94 P97 G188A25-V27 PolarHBondContact O-N 3.24Å; V27-Q34 HydrophobicContact CG2-CG 4.25Å; V27-I94 HydrophobicContact CG2-CB 4.42Å; V27-I94 HydrophobicContact CG2-CG2 4.13Å; V27-I94 VanDerWaalsContact CG2-O 3.22Å; V27-I94 WeakPolarHBondContact CG2-O 3.37Å; V27-P97 HydrophobicContact CB-CB 4.25Å; V27-P97 HydrophobicContact CG1-CB 3.88Å; V27-P97 HydrophobicContact CG1-CG 4.19Å; V27-G188 WeakPolarHBondContact O-CA 3.31Å
28G97Very high97.6Very high13 Ų1313.4 Ų13.413%0.1348%0.084CC..  trans-150.9-169.7-177.900000112.6C26 N31 G186C26-G28 PolarHBondContact O-N 3.26Å; G28-N31 PolarHBondContact O-N 3.39Å; G28-G186 CarbonylContact C-O 3.45Å; G28-G186 WeakPolarHBondContact CA-O 3.41Å
29V97.3Very high97.7Very high6 Ų610.6 Ų10.64%0.0366%0.064CC..G310 helixtrans-51.9137.2179.560.70000112N31 S127 S128 F129 G186 T212 E214V29-N31 PolarHBondContact O-N 3.35Å; V29-S127 WeakPolarHBondContact O-CB 3.29Å; V29-S127 PolarHBondContact O-OG 2.98Å; V29-S128 VanDerWaalsContact CG1-C 3.49Å; V29-F129 HydrophobicContact CB-CD1 4.36Å; V29-F129 HydrophobicContact CB-CE1 4.02Å; V29-F129 HydrophobicContact CB-CZ 4.1Å; V29-F129 HydrophobicContact CG2-CD1 3.57Å; V29-F129 HydrophobicContact CG2-CE1 3.21Å; V29-F129 HydrophobicContact CG2-CG 4.36Å; V29-F129 HydrophobicContact CG2-CZ 3.75Å; V29-G186 PolarHBondContact N-O 2.74Å; V29-T212 HydrophobicContact CG1-CG2 4.28Å; V29-E214 HydrophobicContact CG2-CG 3.84Å; V29-E214 VanDerWaalsContact CG2-OE1 3.32Å; V29-E214 WeakPolarHBondContact CG2-OE1 3.16Å
30G96.5Very high97.9Very high3 Ų38.6 Ų8.63%0.0315%0.05CC..G310 helixtrans67.1-0.4178.200000115.3V32 E214 N217G30-V32 PolarHBondContact O-N 3.4Å; G30-E214 WeakPolarHBondContact CA-OE2 3.32Å; G30-E214 PolarHBondContact N-OE1 2.98Å; G30-E214 PolarHBondContact N-OE2 3.5Å; G30-N217 VanDerWaalsContact CA-ND2 3.35Å; G30-N217 WeakPolarHBondContact CA-ND2 3.3Å; G30-N217 VanDerWaalsContact O-CB 3.29Å; G30-N217 WeakPolarHBondContact O-CB 3.37Å
31N97.1Very high97.9Very high78 Ų788.3 Ų8.342%0.4175%0.049SC..G310 helixtrans53.721.8-178.5-57.2-57.6000115G28 V29 A33 Q34 L35G28-N31 PolarHBondContact O-N 3.39Å; V29-N31 PolarHBondContact O-N 3.35Å; N31-A33 PolarHBondContact O-N 3.42Å; N31-Q34 VanDerWaalsContact CA-OE1 3.32Å; N31-Q34 PolarHBondContact O-N 3.41Å; N31-Q34 PolarHBondContact O-OE1 3.03Å; N31-Q34 PolarHBondContact OD1-NE2 3.2Å; N31-L35 WeakPolarHBondContact O-CG 3.29Å; N31-L35 PolarHBondContact O-N 3.1Å
32V98.4Very high97.9Very high2 Ų211.3 Ų11.31%0.0126%0.06CC..Hα-helixtrans-53.6-43.1-174.5178.90000111.4G30 Q34 L35 A36 L210 T212 N217 D220 V224G30-V32 PolarHBondContact O-N 3.4Å; V32-Q34 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 3.1Å; V32-A36 VanDerWaalsContact O-CB 3.29Å; V32-A36 WeakPolarHBondContact O-CB 3.35Å; V32-A36 PolarHBondContact O-N 3.29Å; V32-L210 HydrophobicContact CG1-CB 4.44Å; V32-L210 HydrophobicContact CG1-CD2 3.71Å; V32-L210 HydrophobicContact CG2-CD2 4.11Å; V32-T212 HydrophobicContact CG2-CG2 3.78Å; V32-N217 HydrophobicContact CG2-CB 4Å; V32-D220 HydrophobicContact CG1-CB 4.31Å; V32-D220 HydrophobicContact CG2-CB 4.2Å; V32-V224 HydrophobicContact CG1-CG2 3.95Å
33A98.6Very high97.7Very high2 Ų212.3 Ų12.32%0.0177%0.065CC..Hα-helixtrans-61.6-44-179.800000112.1A25 C26 N31 C37 L125A25-A33 HydrophobicContact CB-CB 4.35Å; C26-A33 WeakPolarHBondContact O-CB 3.33Å; N31-A33 PolarHBondContact O-N 3.42Å; A33-C37 WeakPolarHBondContact O-CB 3.16Å; A33-C37 PolarHBondContact O-N 2.98Å; A33-C37 VanDerWaalsContact O-N 3.07Å; A33-C37 PolarHBondContact O-SG 3.33Å; A33-C37 VanDerWaalsContact O-SG 3.42Å; A33-L125 HydrophobicContact CB-CB 3.85Å; A33-L125 VanDerWaalsContact CB-O 3.23Å; A33-L125 WeakPolarHBondContact CB-O 3.31Å
34Q98.2Very high97.5Very high10 Ų1012.3 Ų12.35%0.0477%0.065CC..Hα-helixtrans-66.9-42.2176.9-58.3100-69.100111.4A25 V27 N31 V32 C37 D38 Q93 I94A25-Q34 HydrophobicContact CB-CG 4.27Å; V27-Q34 HydrophobicContact CG2-CG 4.25Å; N31-Q34 VanDerWaalsContact CA-OE1 3.32Å; N31-Q34 PolarHBondContact O-N 3.41Å; N31-Q34 PolarHBondContact O-OE1 3.03Å; N31-Q34 PolarHBondContact OD1-NE2 3.2Å; V32-Q34 PolarHBondContact O-N 2.83Å; Q34-C37 PolarHBondContact O-N 2.87Å; Q34-D38 PolarHBondContact O-N 3.16Å; Q34-Q93 PolarHBondContact O-NE2 3.07Å; Q34-I94 VanDerWaalsContact CG-O 3.24Å; Q34-I94 WeakPolarHBondContact CG-O 3.15Å
35L98.4Very high97.2Very high8 Ų814.5 Ų14.54%0.0429%0.088CC..Hα-helixtrans-65.5-42.4178.9-64.8175.5000111.8N31 V32 C37 D38 L39 N217 A221 W253 L256 F257N31-L35 WeakPolarHBondContact O-CG 3.29Å; N31-L35 PolarHBondContact O-N 3.1Å; V32-L35 PolarHBondContact O-N 3.1Å; L35-C37 VanDerWaalsContact C-N 3.32Å; L35-C37 PolarHBondContact O-N 3.07Å; L35-D38 WeakPolarHBondContact O-CB 3.32Å; L35-D38 PolarHBondContact O-N 2.87Å; L35-D38 VanDerWaalsContact O-N 3.15Å; L35-L39 PolarHBondContact O-N 2.94Å; L35-L39 VanDerWaalsContact O-N 3.08Å; L35-N217 HydrophobicContact CD1-CB 4.04Å; L35-A221 HydrophobicContact CB-CB 3.44Å; L35-A221 VanDerWaalsContact CB-CB 3.44Å; L35-W253 HydrophobicContact CB-CH2 3.91Å; L35-W253 HydrophobicContact CB-CZ2 3.61Å; L35-W253 HydrophobicContact CD2-CH2 4.26Å; L35-W253 HydrophobicContact CD2-CZ2 3.53Å; L35-W253 HydrophobicContact CG-CZ2 4.13Å; L35-W253 VanDerWaalsContact O-CZ2 3.32Å; L35-W253 WeakPolarHBondContact O-CZ2 3.31Å; L35-L256 HydrophobicContact CD2-CD2 3.44Å; L35-L256 VanDerWaalsContact CD2-CD2 3.44Å; L35-F257 HydrophobicContact CD1-CE2 4.38Å; L35-F257 HydrophobicContact CD1-CZ 4.04Å
36A98.5Very high97Very high0 Ų015 Ų150%09%0.092CC..Hα-helixtrans-60.8-43.417500000111.1V32 D38 L39 L40 L125 A221 V224 V225V32-A36 VanDerWaalsContact O-CB 3.29Å; V32-A36 WeakPolarHBondContact O-CB 3.35Å; V32-A36 PolarHBondContact O-N 3.29Å; A36-D38 VanDerWaalsContact C-N 3.33Å; A36-D38 PolarHBondContact O-N 2.72Å; A36-L39 PolarHBondContact O-N 3.2Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 2.76Å; A36-L125 HydrophobicContact CB-CD1 4.07Å; A36-A221 HydrophobicContact CB-CB 4.4Å; A36-V224 HydrophobicContact CB-CB 4.29Å; A36-V224 HydrophobicContact CB-CG1 4.03Å; A36-V225 HydrophobicContact CB-CG2 3.8Å; A36-V225 WeakPolarHBondContact O-CG2 3.07Å
37C98.7Very high96.8Very high0 Ų020.7 Ų20.70%012%0.122CC..Hα-helixtrans-64.2-35174.9-76.30000112.9A25 A33 Q34 L35 L40 I41 V91A25-C37 HydrophobicContact CB-CB 4.21Å; A33-C37 WeakPolarHBondContact O-CB 3.16Å; A33-C37 PolarHBondContact O-N 2.98Å; A33-C37 VanDerWaalsContact O-N 3.07Å; A33-C37 PolarHBondContact O-SG 3.33Å; A33-C37 VanDerWaalsContact O-SG 3.42Å; Q34-C37 PolarHBondContact O-N 2.87Å; L35-C37 VanDerWaalsContact C-N 3.32Å; L35-C37 PolarHBondContact O-N 3.07Å; C37-L40 PolarHBondContact O-N 2.85Å; C37-I41 WeakPolarHBondContact O-CB 3.4Å; C37-I41 WeakPolarHBondContact O-CD1 3.33Å; C37-I41 WeakPolarHBondContact O-CG1 3.38Å; C37-I41 PolarHBondContact O-N 3.44Å; C37-V91 HydrophobicContact CB-CG1 3.68Å; C37-V91 VanDerWaalsContact SG-CG1 3.51Å
38D98Very high96.5Very high5 Ų522.4 Ų22.43%0.02713%0.132CC..Hα-helixtrans-62-45.2174.4-76.9-12.3000111.8Q34 L35 A36 I41 Y42 Y66 Q93 R95 P250 W253Q34-D38 PolarHBondContact O-N 3.16Å; L35-D38 WeakPolarHBondContact O-CB 3.32Å; L35-D38 PolarHBondContact O-N 2.87Å; L35-D38 VanDerWaalsContact O-N 3.15Å; A36-D38 VanDerWaalsContact C-N 3.33Å; A36-D38 PolarHBondContact O-N 2.72Å; D38-I41 PolarHBondContact O-N 2.85Å; D38-Y42 VanDerWaalsContact O-CB 3.29Å; D38-Y42 WeakPolarHBondContact O-CB 3.41Å; D38-Y42 PolarHBondContact O-N 3.43Å; D38-Y66 HydrophobicContact CB-CE1 4.04Å; D38-Y66 PolarHBondContact OD1-OH 2.89Å; D38-Q93 PolarHBondContact OD1-NE2 3.07Å; D38-R95 VanDerWaalsContact CG-NH1 3.28Å; D38-R95 IonicContact OD1-CZ 3.77Å; D38-R95 IonicContact OD1-NH1 3.09Å; D38-R95 PolarHBondContact OD1-NH1 3.38Å; D38-R95 IonicContact OD1-NH2 2.98Å; D38-R95 PolarHBondContact OD1-NH2 3.15Å; D38-R95 IonicContact OD2-CZ 2.66Å; D38-R95 IonicContact OD2-NH1 3.79Å; D38-R95 PolarHBondContact OD2-NH1 3.44Å; D38-R95 IonicContact OD2-NH2 3.26Å; D38-P250 HydrophobicContact CB-CG 4.17Å; D38-W253 HydrophobicContact CB-CZ2 4.07Å; D38-W253 PolarHBondContact OD2-NE1 3.45Å
39L97.6Very high96.3Very high3 Ų324.6 Ų24.62%0.01614%0.14CC..Hα-helixtrans-61.3-45.3175.3-72.7170.8000111.4L35 A36 N43 A221 L222 V225 W247 W253L35-L39 PolarHBondContact O-N 2.94Å; L35-L39 VanDerWaalsContact O-N 3.08Å; A36-L39 PolarHBondContact O-N 3.2Å; L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.37Å; L39-N43 PolarHBondContact O-N 2.98Å; L39-N43 PolarHBondContact O-ND2 3.34Å; L39-A221 HydrophobicContact CD1-CB 4.04Å; L39-L222 HydrophobicContact CD1-CB 4.27Å; L39-V225 HydrophobicContact CB-CG2 4Å; L39-V225 HydrophobicContact CD1-CG2 4.17Å; L39-W247 HydrophobicContact CB-CE3 4.47Å; L39-W253 HydrophobicContact CD1-CH2 3.79Å; L39-W253 HydrophobicContact CD1-CZ3 4.45Å; L39-W253 HydrophobicContact CD2-CH2 3.99Å; L39-W253 HydrophobicContact CD2-CZ3 4.24Å; L39-W253 HydrophobicContact CG-CH2 3.64Å; L39-W253 HydrophobicContact CG-CZ2 4.05Å; L39-W253 HydrophobicContact CG-CZ3 4.35Å
40L97.6Very high96.1Very high0 Ų025.2 Ų25.20%015%0.145CC..Hα-helixtrans-60.2-51.4176.9-69.6172.1000111.4I23 A36 C37 Y42 L44 V91 V225 L228 F234 W247I23-L40 HydrophobicContact CG1-CD1 4.34Å; I23-L40 HydrophobicContact CG2-CD1 4.12Å; A36-L40 WeakPolarHBondContact O-CG 3.49Å; A36-L40 PolarHBondContact O-N 2.76Å; C37-L40 PolarHBondContact O-N 2.85Å; L40-Y42 PolarHBondContact O-N 2.96Å; L40-L44 HydrophobicContact CB-CD1 4.39Å; L40-L44 HydrophobicContact CD2-CD1 3.88Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 VanDerWaalsContact O-CG 3.22Å; L40-L44 WeakPolarHBondContact O-CG 3.24Å; L40-L44 PolarHBondContact O-N 2.94Å; L40-V91 HydrophobicContact CB-CG2 4.42Å; L40-V225 HydrophobicContact CD2-CG1 3.92Å; L40-V225 HydrophobicContact CD2-CG2 4.28Å; L40-V225 HydrophobicContact CG-CG1 4.48Å; L40-V225 HydrophobicContact CG-CG2 4.03Å; L40-L228 HydrophobicContact CD1-CD1 4.02Å; L40-F234 HydrophobicContact CD2-CD2 4.1Å; L40-F234 HydrophobicContact CD2-CE2 3.64Å; L40-F234 HydrophobicContact CD2-CZ 4.46Å; L40-W247 HydrophobicContact CD2-CH2 3.89Å; L40-W247 HydrophobicContact CD2-CZ3 4.07Å
41I97.2Very high95.9Very high3 Ų328 Ų282%0.01516%0.164CC..Hα-helixtrans-61.6-47.7-176.2-69.8161.6000110.8C37 D38 G45 C46 Y66 Y82 V91 Q93C37-I41 WeakPolarHBondContact O-CB 3.4Å; C37-I41 WeakPolarHBondContact O-CD1 3.33Å; C37-I41 WeakPolarHBondContact O-CG1 3.38Å; C37-I41 PolarHBondContact O-N 3.44Å; D38-I41 PolarHBondContact O-N 2.85Å; I41-G45 PolarHBondContact O-N 2.97Å; I41-C46 HydrophobicContact CB-CB 4.49Å; I41-C46 HydrophobicContact CG1-CB 4.49Å; I41-C46 HydrophobicContact CG2-CB 4.21Å; I41-C46 PolarHBondContact O-N 2.72Å; I41-Y66 HydrophobicContact CB-CE1 4.18Å; I41-Y66 HydrophobicContact CB-CE2 4.11Å; I41-Y66 HydrophobicContact CD1-CE2 4.35Å; I41-Y66 WeakPolarHBondContact CD1-OH 3.25Å; I41-Y66 HydrophobicContact CG2-CD1 4.34Å; I41-Y66 HydrophobicContact CG2-CD2 3.61Å; I41-Y66 HydrophobicContact CG2-CE1 4.08Å; I41-Y66 HydrophobicContact CG2-CE2 3.28Å; I41-Y66 HydrophobicContact CG2-CG 4.12Å; I41-Y82 HydrophobicContact CD1-CD1 4.37Å; I41-Y82 HydrophobicContact CD1-CD2 3.4Å; I41-Y82 HydrophobicContact CD1-CE2 3.83Å; I41-Y82 HydrophobicContact CD1-CG 3.72Å; I41-Y82 HydrophobicContact CG1-CD1 4.44Å; I41-Y82 HydrophobicContact CG1-CD2 4.11Å; I41-Y82 HydrophobicContact CG1-CG 3.91Å; I41-Y82 HydrophobicContact CG2-CD1 3.56Å; I41-Y82 HydrophobicContact CG2-CE1 3.96Å; I41-Y82 HydrophobicContact CG2-CG 3.91Å; I41-V91 HydrophobicContact CD1-CB 4.12Å; I41-V91 HydrophobicContact CD1-CG1 3.74Å; I41-V91 HydrophobicContact CG1-CB 3.88Å; I41-V91 HydrophobicContact CG1-CG1 3.88Å; I41-V91 HydrophobicContact CG1-CG2 4.19Å; I41-Q93 HydrophobicContact CD1-CB 3.97Å; I41-Q93 HydrophobicContact CD1-CG 4.47Å
42Y95.8Very high95.7Very high82 Ų8224.6 Ų24.632%0.32215%0.146SC..Hα-helixtrans-66.1-51.3-177.7-178.1-123.1000112.2D38 L40 G45 Y66 S248 P250D38-Y42 VanDerWaalsContact O-CB 3.29Å; D38-Y42 WeakPolarHBondContact O-CB 3.41Å; D38-Y42 PolarHBondContact O-N 3.43Å; L40-Y42 PolarHBondContact O-N 2.96Å; Y42-G45 PolarHBondContact O-N 2.83Å; Y42-Y66 WeakPolarHBondContact CE2-O 3.41Å; Y42-S248 WeakPolarHBondContact CD1-O 2.88Å; Y42-P250 HydrophobicContact CD1-CB 4.17Å; Y42-P250 HydrophobicContact CD1-CG 4Å; Y42-P250 HydrophobicContact CG-CB 4.11Å; Y42-P250 HydrophobicContact CG-CG 4.08Å
43N94.2Very high95.4Very high21 Ų2130.4 Ų30.411%0.11218%0.177CC..Hα-helixtrans-77.8-29.4-172.8-71.3-81000113.3L39 G45 R238 L245 W247 S248L39-N43 VanDerWaalsContact O-CB 3.24Å; L39-N43 WeakPolarHBondContact O-CB 3.37Å; L39-N43 PolarHBondContact O-N 2.98Å; L39-N43 PolarHBondContact O-ND2 3.34Å; N43-G45 VanDerWaalsContact C-N 3.28Å; N43-R238 PolarHBondContact O-NH1 2.82Å; N43-L245 HydrophobicContact CB-CD2 4.14Å; N43-W247 HydrophobicContact CB-CE3 3.56Å; N43-W247 HydrophobicContact CB-CZ3 3.7Å; N43-S248 PolarHBondContact ND2-N 3.26Å; N43-S248 PolarHBondContact ND2-O 2.92Å; N43-S248 WeakPolarHBondContact OD1-CB 3.38Å; N43-S248 PolarHBondContact OD1-N 2.8Å
44L94.5Very high95.2Very high0 Ų030.8 Ų30.80%018%0.178CC..THydrogen-bonded Turntrans-87.8-0.1176.3-53.3179.2000112.1L40 C46 L87 L89 F234 R238 W247L40-L44 HydrophobicContact CB-CD1 4.39Å; L40-L44 HydrophobicContact CD2-CD1 3.88Å; L40-L44 WeakPolarHBondContact O-CB 3.38Å; L40-L44 VanDerWaalsContact O-CG 3.22Å; L40-L44 WeakPolarHBondContact O-CG 3.24Å; L40-L44 PolarHBondContact O-N 2.94Å; L44-C46 VanDerWaalsContact C-N 3.29Å; L44-C46 PolarHBondContact O-N 3.46Å; L44-L87 HydrophobicContact CB-CD1 3.95Å; L44-L87 HydrophobicContact CD1-CD1 3.95Å; L44-L87 HydrophobicContact CD2-CD1 3.96Å; L44-L87 HydrophobicContact CG-CD1 4.17Å; L44-L89 HydrophobicContact CD1-CD2 3.38Å; L44-F234 HydrophobicContact CD1-CB 4.17Å; L44-F234 HydrophobicContact CD1-CD1 4.44Å; L44-F234 HydrophobicContact CD1-CD2 3.95Å; L44-F234 HydrophobicContact CD1-CE2 4.4Å; L44-F234 HydrophobicContact CD1-CG 3.95Å; L44-F234 HydrophobicContact CD2-CB 3.99Å; L44-R238 PolarHBondContact O-NH2 3.03Å; L44-W247 HydrophobicContact CD2-CH2 4.06Å; L44-W247 HydrophobicContact CD2-CZ3 4.32Å; L44-W247 HydrophobicContact CG-CH2 4.32Å; L44-W247 HydrophobicContact CG-CZ3 4.29Å
45G92.2Very high95.1Very high49 Ų4936.1 Ų36.151%0.50520%0.203SC..THydrogen-bonded Turntrans58.741.8177.600000111.9I41 Y42 N43I41-G45 PolarHBondContact O-N 2.97Å; Y42-G45 PolarHBondContact O-N 2.83Å; N43-G45 VanDerWaalsContact C-N 3.28Å
46C95Very high95Very high11 Ų1137.4 Ų37.47%0.07421%0.208CC..PPolyproline II helixtrans-72.8129.1-178.6-62.50000110.2I41 L44 A83I41-C46 HydrophobicContact CB-CB 4.49Å; I41-C46 HydrophobicContact CG1-CB 4.49Å; I41-C46 HydrophobicContact CG2-CB 4.21Å; I41-C46 PolarHBondContact O-N 2.72Å; L44-C46 VanDerWaalsContact C-N 3.29Å; L44-C46 PolarHBondContact O-N 3.46Å; C46-A83 WeakPolarHBondContact CA-O 3.42Å
47D93.3Very high94.9Very high120 Ų12037.9 Ų37.964%0.64221%0.211SC*.EExtended strand (participates in β ladder)trans-79142.4175.9-67.8-49.5000110.6I49 Y82 A83D47-I49 PolarHBondContact O-N 3.37Å; D47-Y82 CarbonylContact O-C 3.53Å; D47-Y82 WeakPolarHBondContact O-CA 3.48Å; D47-A83 PolarHBondContact N-O 2.91Å; D47-A83 PolarHBondContact O-N 2.96Å
48V93.2Very high94.8Very high55 Ų5539.8 Ų39.833%0.33322%0.224SC..EExtended strand (participates in β ladder)trans-68.3122169.362.60000109.1Q80 Y82V48-Q80 HydrophobicContact CG2-CB 4.45Å; V48-Y82 HydrophobicContact CB-CD1 3.95Å; V48-Y82 HydrophobicContact CB-CE1 3.75Å; V48-Y82 HydrophobicContact CG2-CE1 4.17Å
49I92.4Very high94.7Very high58 Ų5845.3 Ų45.330%0.29726%0.263SS..EExtended strand (participates in β ladder)trans-92.5-45.9178.3-57.4-57.5000110.1V12 F17 D47 I81 A83V12-I49 HydrophobicContact CG2-CG2 3.99Å; F17-I49 HydrophobicContact CZ-CG2 4.33Å; D47-I49 PolarHBondContact O-N 3.37Å; I49-I81 HydrophobicContact CB-CG2 3.99Å; I49-I81 HydrophobicContact CG2-CG2 4.4Å; I49-I81 PolarHBondContact N-O 2.86Å; I49-A83 HydrophobicContact CD1-CB 4.03Å; I49-A83 HydrophobicContact CG1-CB 3.65Å
50S91.8Very high94.6Very high20 Ų2047.7 Ų47.714%0.1428%0.277CS..EExtended strand (participates in β ladder)trans-166.5155.517964.10000113.1P10 Q80 I81P10-S50 VanDerWaalsContact CB-CB 3.47Å; P10-S50 VanDerWaalsContact CB-OG 3.25Å; P10-S50 WeakPolarHBondContact CB-OG 3.22Å; P10-S50 WeakPolarHBondContact CG-OG 3.11Å; S50-Q80 WeakPolarHBondContact O-CA 3.29Å; S50-I81 PolarHBondContact N-O 2.91Å; S50-I81 PolarHBondContact O-N 2.85Å; S50-I81 WeakPolarHBondContact OG-CG2 3.29Å
51S92.4Very high94.4Very high60 Ų6052.6 Ų52.642%0.4231%0.307SS..EExtended strand (participates in β ladder)trans-81.3136.9160.4-59.20000110.3T77 S79 Q80S51-T77 WeakPolarHBondContact CB-OG1 3.39Å; S51-T77 WeakPolarHBondContact OG-CG2 3.49Å; S51-T77 PolarHBondContact OG-OG1 3.15Å; S51-S79 CarbonylContact C-O 3.54Å; S51-S79 WeakPolarHBondContact CA-O 3.24Å; S51-Q80 PolarHBondContact OG-NE2 2.94Å
52L92.9Very high94.1Very high7 Ų753.6 Ų53.64%0.03732%0.318CS..  trans-95133.9167.6-58.9-174.5000108.6P10 L54 S79 L92 F113P10-L52 HydrophobicContact CG-CD2 4.44Å; L52-L54 HydrophobicContact CB-CD2 4.43Å; L52-L54 HydrophobicContact CB-CG 4.25Å; L52-L54 PolarHBondContact O-N 3.42Å; L52-S79 PolarHBondContact N-O 2.89Å; L52-S79 PolarHBondContact O-OG 3.2Å; L52-L92 HydrophobicContact CD1-CD1 3.57Å; L52-L92 HydrophobicContact CD1-CD2 4.2Å; L52-L92 HydrophobicContact CG-CD1 4.37Å; L52-F113 HydrophobicContact CD1-CD1 4.04Å; L52-F113 HydrophobicContact CD1-CD2 4.33Å; L52-F113 HydrophobicContact CD1-CE1 3.7Å; L52-F113 HydrophobicContact CD1-CE2 3.96Å; L52-F113 HydrophobicContact CD1-CG 4.33Å; L52-F113 HydrophobicContact CD1-CZ 3.63Å; L52-F113 HydrophobicContact CD2-CD2 4.44Å; L52-F113 HydrophobicContact CD2-CE2 3.85Å; L52-F113 HydrophobicContact CD2-CZ 4.14Å
53N92.1Very high93.8Very high124 Ų12453.9 Ų53.966%0.66333%0.328SS*.  trans-93.384.6173.3-173.724.5000109.2E55N53-E55 PolarHBondContact O-N 3.15Å
54L94.8Very high93.7Very high10 Ų1053.8 Ų53.85%0.05233%0.328CS..  trans-81.1109.8178.1-60.6173.2000109.5L52 Y56 C57 S79 I94 E109 L110L52-L54 HydrophobicContact CB-CD2 4.43Å; L52-L54 HydrophobicContact CB-CG 4.25Å; L52-L54 PolarHBondContact O-N 3.42Å; L54-Y56 PolarHBondContact O-N 2.86Å; L54-C57 HydrophobicContact CB-CB 4.47Å; L54-C57 PolarHBondContact O-N 3.25Å; L54-C57 VanDerWaalsContact O-N 3.17Å; L54-S79 VanDerWaalsContact CD1-CB 3.47Å; L54-S79 WeakPolarHBondContact CD1-OG 3.42Å; L54-S79 WeakPolarHBondContact CG-OG 3.33Å; L54-I94 HydrophobicContact CD1-CD1 4.06Å; L54-I94 HydrophobicContact CD1-CG1 4.32Å; L54-E109 WeakPolarHBondContact CA-OE1 3.12Å; L54-E109 HydrophobicContact CD2-CG 4.09Å; L54-L110 HydrophobicContact CD1-CD2 4.05Å; L54-L110 HydrophobicContact CD2-CD2 3.91Å
55E95.8Very high93.6Very high123 Ų12354.3 Ų54.358%0.57533%0.331SS*.THydrogen-bonded Turntrans-53.6-33.9-171.5-170.5-165.7157.600112.5N53 E109N53-E55 PolarHBondContact O-N 3.15Å; E55-E109 WeakPolarHBondContact CB-OE1 3.26Å; E55-E109 PolarHBondContact N-OE1 2.93Å
56Y97.5Very high93.7Very high34 Ų3453 Ų5313%0.13331%0.311CS..THydrogen-bonded Turntrans-96.64-171.2-56.1-60.3000114.6L54 P98 F99 R105 H106 E109L54-Y56 PolarHBondContact O-N 2.86Å; Y56-P98 CarbonylContact O-C 3.48Å; Y56-P98 WeakPolarHBondContact O-CA 3.41Å; Y56-P98 WeakPolarHBondContact O-CB 3.46Å; Y56-F99 WeakPolarHBondContact O-CD2 3.49Å; Y56-F99 PolarHBondContact O-N 2.69Å; Y56-R105 HydrophobicContact CD1-CB 4.32Å; Y56-R105 HydrophobicContact CD2-CB 3.95Å; Y56-R105 HydrophobicContact CE1-CB 4.02Å; Y56-R105 HydrophobicContact CE2-CB 3.55Å; Y56-R105 HydrophobicContact CG-CB 4.29Å; Y56-H106 HydrophobicContact CD2-CB 4.03Å; Y56-H106 HydrophobicContact CG-CB 4.28Å; Y56-E109 HydrophobicContact CD2-CB 4.39Å; Y56-E109 WeakPolarHBondContact CD2-OE2 3.41Å; Y56-E109 HydrophobicContact CE2-CB 4.3Å
57C96.8Very high93.2Very high10 Ų1056.5 Ų56.57%0.06833%0.326CS..SBendtrans-105149.8174.9-70.50000111.2L54 T78 H106L54-C57 HydrophobicContact CB-CB 4.47Å; L54-C57 PolarHBondContact O-N 3.25Å; L54-C57 VanDerWaalsContact O-N 3.17Å; C57-T78 HydrophobicContact CB-CG2 3.78Å; C57-H106 PolarHBondContact SG-CE1 2.88Å
58P96.9Very high92.3Very high41 Ų4158 Ų5827%0.26633%0.333SS..  trans-66.4145.8173.629.5-34.8000110.9V60 T78 A96 P97 F99P58-V60 PolarHBondContact O-N 3.12Å; P58-T78 VanDerWaalsContact O-CG2 3.22Å; P58-T78 WeakPolarHBondContact O-CG2 3.41Å; P58-T78 PolarHBondContact O-OG1 3.26Å; P58-A96 HydrophobicContact CG-CB 3.54Å; P58-P97 WeakPolarHBondContact CD-O 3.32Å; P58-F99 HydrophobicContact CB-CE1 3.9Å; P58-F99 HydrophobicContact CB-CZ 4.02Å
59S95Very high91.3Very high121 Ų12158.9 Ų58.985%0.84634%0.342SS*.  trans-70.7121.4173.7-56.30000110.8
60V94.5Very high90.1Very high53 Ų5367.1 Ų67.132%0.32137%0.37SS..  trans-122.3134.5175.3-179.90000106.4P58 M76 T77 T78 A96P58-V60 PolarHBondContact O-N 3.12Å; V60-M76 HydrophobicContact CG1-SD 4.29Å; V60-T77 CarbonylContact O-C 3.58Å; V60-T77 WeakPolarHBondContact O-CA 3.28Å; V60-T78 WeakPolarHBondContact CB-OG1 3.36Å; V60-T78 PolarHBondContact N-OG1 3.15Å; V60-T78 PolarHBondContact O-N 2.79Å; V60-T78 VanDerWaalsContact O-N 3.08Å; V60-A96 HydrophobicContact CG2-CB 4.14Å
61V93.5Very high89Confident103 Ų10370.1 Ų70.162%0.62438%0.384SS*.EExtended strand (participates in β ladder)trans-138.4140.9172.464.90000109.2L75 M76V61-L75 HydrophobicContact CG2-CB 4.18Å; V61-L75 HydrophobicContact CG2-CD1 3.97Å; V61-M76 CarbonylContact C-O 3.45Å; V61-M76 VanDerWaalsContact CA-O 3.29Å; V61-M76 WeakPolarHBondContact CA-O 3.36Å
62G91.4Very high87.8Confident23 Ų2370.9 Ų70.924%0.23739%0.394CS..EExtended strand (participates in β ladder)trans-159.9179.6178.500000112L75 M76G62-L75 CarbonylContact O-C 3.39Å; G62-L75 WeakPolarHBondContact O-CA 3.2Å; G62-L75 WeakPolarHBondContact O-CD2 3.41Å; G62-M76 PolarHBondContact N-O 3.23Å; G62-M76 PolarHBondContact O-N 2.74Å
63T90.2Very high86.9Confident89 Ų8978.8 Ų78.855%0.54643%0.43SS..EExtended strand (participates in β ladder)trans-66.5155.7171.152.10000110.8P65T63-P65 WeakPolarHBondContact O-CD 3.42Å; T63-P65 VanDerWaalsContact O-N 3.15Å
64N91.9Very high86.6Confident19 Ų1974.6 Ų74.610%0.10241%0.408CS..  trans-54.8119.2171.4-175.7-19.7000110.6Y66 Q67 N74N64-Y66 PolarHBondContact O-N 2.89Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.33Å; N64-Y66 VanDerWaalsContact OD1-CD2 3.31Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.37Å; N64-Y66 PolarHBondContact OD1-N 3.2Å; N64-Q67 HydrophobicContact CB-CB 4.45Å; N64-Q67 VanDerWaalsContact ND2-CD 3.33Å; N64-Q67 PolarHBondContact ND2-OE1 2.83Å; N64-N74 HydrophobicContact CB-CB 4.39Å; N64-N74 VanDerWaalsContact CB-O 3.31Å; N64-N74 WeakPolarHBondContact CB-O 3.47Å; N64-N74 PolarHBondContact N-O 2.72Å; N64-N74 PolarHBondContact ND2-ND2 2.85Å
65P92.5Very high86.4Confident11 Ų1178.2 Ų78.27%0.07143%0.427CS..THydrogen-bonded Turntrans-72.6-12.5-17728.1-34.5000114T63 M76 S252T63-P65 WeakPolarHBondContact O-CD 3.42Å; T63-P65 VanDerWaalsContact O-N 3.15Å; P65-M76 HydrophobicContact CG-CG 4.46Å; P65-S252 VanDerWaalsContact CB-CB 3.49Å; P65-S252 WeakPolarHBondContact CB-OG 3.25Å; P65-S252 WeakPolarHBondContact O-CB 3.48Å; P65-S252 PolarHBondContact O-N 3.47Å; P65-S252 PolarHBondContact O-OG 3.3Å
66Y93.4Very high86.3Confident20 Ų2073.8 Ų73.88%0.07841%0.406CS..THydrogen-bonded Turntrans-105-1.6-171.6-47.2-56.5000113.4D38 I41 Y42 N64 Y82 R95 P250D38-Y66 HydrophobicContact CB-CE1 4.04Å; D38-Y66 PolarHBondContact OD1-OH 2.89Å; I41-Y66 HydrophobicContact CB-CE1 4.18Å; I41-Y66 HydrophobicContact CB-CE2 4.11Å; I41-Y66 HydrophobicContact CD1-CE2 4.35Å; I41-Y66 WeakPolarHBondContact CD1-OH 3.25Å; I41-Y66 HydrophobicContact CG2-CD1 4.34Å; I41-Y66 HydrophobicContact CG2-CD2 3.61Å; I41-Y66 HydrophobicContact CG2-CE1 4.08Å; I41-Y66 HydrophobicContact CG2-CE2 3.28Å; I41-Y66 HydrophobicContact CG2-CG 4.12Å; Y42-Y66 WeakPolarHBondContact CE2-O 3.41Å; N64-Y66 PolarHBondContact O-N 2.89Å; N64-Y66 WeakPolarHBondContact OD1-CB 3.33Å; N64-Y66 VanDerWaalsContact OD1-CD2 3.31Å; N64-Y66 WeakPolarHBondContact OD1-CD2 3.37Å; N64-Y66 PolarHBondContact OD1-N 3.2Å; Y66-Y82 HydrophobicContact CD2-CE1 4.1Å; Y66-Y82 HydrophobicContact CE2-CD1 4.38Å; Y66-Y82 AromaticContact CE2-CE1 3.61Å; Y66-Y82 HydrophobicContact CE2-CE1 3.61Å; Y66-Y82 HydrophobicContact CE2-CE2 4.42Å; Y66-Y82 AromaticContact CE2-CZ 3.66Å; Y66-R95 PolarHBondContact OH-NH2 3.27Å; Y66-P250 HydrophobicContact CD1-CB 4.25Å
67Q85.9Confident86.2Confident85 Ų8573.9 Ų73.940%0.39741%0.411SS..  trans-123.4140.5-178.4-68.7-179.7-14.900110.5N64N64-Q67 HydrophobicContact CB-CB 4.45Å; N64-Q67 VanDerWaalsContact ND2-CD 3.33Å; N64-Q67 PolarHBondContact ND2-OE1 2.83Å
68L73.8Confident86.2Confident151 Ų15174 Ų7479%0.79141%0.412SS*.SBendtrans-78.5-30.5171.8-69.7170.8000111.8R70 P251L68-R70 PolarHBondContact O-N 2.93Å; L68-P251 HydrophobicContact CD2-CB 3.66Å; L68-P251 HydrophobicContact CD2-CG 3.88Å; L68-P251 HydrophobicContact CG-CB 4.3Å; L68-P251 HydrophobicContact CG-CG 3.99Å
69S72.9Confident86.2Confident75 Ų7572.2 Ų72.252%0.52440%0.4SS..SBendtrans-66.9122.6176.7520000109.7D71S69-D71 PolarHBondContact O-N 3.46Å
70R65.3Low86.3Confident231 Ų23166.7 Ų66.787%0.87236%0.361SS*.  trans-76.451.9172.7-62.7-177.6-177.2-111.61111.2L68 A72L68-R70 PolarHBondContact O-N 2.93Å; R70-A72 PolarHBondContact O-N 3.01Å
71D69.2Low86.4Confident83 Ų8364.2 Ų64.244%0.44435%0.345SS..  trans-67.3115.9172.6-170.7-13.3000108.5S69 H73 N74S69-D71 PolarHBondContact O-N 3.46Å; D71-H73 PolarHBondContact O-N 2.98Å; D71-H73 WeakPolarHBondContact OD1-CB 3.18Å; D71-H73 IonicContact OD1-CD2 3.85Å; D71-H73 PolarHBondContact OD1-CD2 3.46Å; D71-H73 IonicContact OD1-CG 3.02Å; D71-H73 PolarHBondContact OD1-N 2.89Å; D71-N74 PolarHBondContact O-N 2.99Å
72A66.9Low86.5Confident76 Ų7659.5 Ų59.563%0.62832%0.316SS*.THydrogen-bonded Turntrans-67.1-13.7-177.800000112.9R70R70-A72 PolarHBondContact O-N 3.01Å
73H75.5Confident86.7Confident172 Ų17258.6 Ų58.680%0.79631%0.306SS*.THydrogen-bonded Turntrans-84.6-13-176.3-59.8-59.5000114D71D71-H73 PolarHBondContact O-N 2.98Å; D71-H73 WeakPolarHBondContact OD1-CB 3.18Å; D71-H73 IonicContact OD1-CD2 3.85Å; D71-H73 PolarHBondContact OD1-CD2 3.46Å; D71-H73 IonicContact OD1-CG 3.02Å; D71-H73 PolarHBondContact OD1-N 2.89Å
74N84.4Confident87Confident37 Ų3754.7 Ų54.720%0.19828%0.283CS..  trans-115.883.9-178.2-162.5-4.7000110.6N64 D71N64-N74 HydrophobicContact CB-CB 4.39Å; N64-N74 VanDerWaalsContact CB-O 3.31Å; N64-N74 WeakPolarHBondContact CB-O 3.47Å; N64-N74 PolarHBondContact N-O 2.72Å; N64-N74 PolarHBondContact ND2-ND2 2.85Å; D71-N74 PolarHBondContact O-N 2.99Å
75L91.2Very high87Confident85 Ų8563.2 Ų63.245%0.44531%0.314SS..EExtended strand (participates in β ladder)trans-90.7140.7179.4-61.1177.9000111V61 G62 Q80V61-L75 HydrophobicContact CG2-CB 4.18Å; V61-L75 HydrophobicContact CG2-CD1 3.97Å; G62-L75 CarbonylContact O-C 3.39Å; G62-L75 WeakPolarHBondContact O-CA 3.2Å; G62-L75 WeakPolarHBondContact O-CD2 3.41Å; L75-Q80 PolarHBondContact O-NE2 2.8Å
76M93.9Very high87Confident30 Ų3068.2 Ų68.215%0.14834%0.336CS..EExtended strand (participates in β ladder)trans-79.6141.3164.4172.2-91.4-71.200109.4V60 V61 G62 P65 R95V60-M76 HydrophobicContact CG1-SD 4.29Å; V61-M76 CarbonylContact C-O 3.45Å; V61-M76 VanDerWaalsContact CA-O 3.29Å; V61-M76 WeakPolarHBondContact CA-O 3.36Å; G62-M76 PolarHBondContact N-O 3.23Å; G62-M76 PolarHBondContact O-N 2.74Å; P65-M76 HydrophobicContact CG-CG 4.46Å; M76-R95 HydrophobicContact SD-CG 4.03Å
77T95.4Very high87.1Confident37 Ų3767.4 Ų67.423%0.22733%0.333CS..EExtended strand (participates in β ladder)trans-124.5175174.268.30000110.9S51 V60 S79 Q80S51-T77 WeakPolarHBondContact CB-OG1 3.39Å; S51-T77 WeakPolarHBondContact OG-CG2 3.49Å; S51-T77 PolarHBondContact OG-OG1 3.15Å; V60-T77 CarbonylContact O-C 3.58Å; V60-T77 WeakPolarHBondContact O-CA 3.28Å; T77-S79 VanDerWaalsContact C-N 3.26Å; T77-S79 PolarHBondContact O-N 3.07Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.21Å
78T97.2Very high87.6Confident13 Ų1367.8 Ų67.88%0.0834%0.335CS..SBendtrans-50.8-43.8-179.3-52.90000113.5C57 P58 V60 I94 R95 A96C57-T78 HydrophobicContact CB-CG2 3.78Å; P58-T78 VanDerWaalsContact O-CG2 3.22Å; P58-T78 WeakPolarHBondContact O-CG2 3.41Å; P58-T78 PolarHBondContact O-OG1 3.26Å; V60-T78 WeakPolarHBondContact CB-OG1 3.36Å; V60-T78 PolarHBondContact N-OG1 3.15Å; V60-T78 PolarHBondContact O-N 2.79Å; V60-T78 VanDerWaalsContact O-N 3.08Å; T78-I94 CarbonylContact O-C 3.58Å; T78-I94 WeakPolarHBondContact O-CA 3.42Å; T78-R95 WeakPolarHBondContact O-CB 3.42Å; T78-R95 PolarHBondContact O-N 2.68Å; T78-A96 HydrophobicContact CG2-CB 4.03Å
79S97.1Very high88.7Confident2 Ų260.6 Ų60.61%0.01430%0.297CS..EExtended strand (participates in β ladder)trans-139.4119.6-176.4370000110.3S51 L52 L54 T77 Q93S51-S79 CarbonylContact C-O 3.54Å; S51-S79 WeakPolarHBondContact CA-O 3.24Å; L52-S79 PolarHBondContact N-O 2.89Å; L52-S79 PolarHBondContact O-OG 3.2Å; L54-S79 VanDerWaalsContact CD1-CB 3.47Å; L54-S79 WeakPolarHBondContact CD1-OG 3.42Å; L54-S79 WeakPolarHBondContact CG-OG 3.33Å; T77-S79 VanDerWaalsContact C-N 3.26Å; T77-S79 PolarHBondContact O-N 3.07Å; S79-Q93 VanDerWaalsContact CA-O 3.29Å; S79-Q93 WeakPolarHBondContact CA-O 3.47Å
80Q96Very high89.9Confident6 Ų657 Ų573%0.02827%0.272CS..EExtended strand (participates in β ladder)trans-136.1140.7-179.2-71.5177.1-54.600110.3V48 S50 S51 L75 T77 Y82 Q93V48-Q80 HydrophobicContact CG2-CB 4.45Å; S50-Q80 WeakPolarHBondContact O-CA 3.29Å; S51-Q80 PolarHBondContact OG-NE2 2.94Å; L75-Q80 PolarHBondContact O-NE2 2.8Å; T77-Q80 WeakPolarHBondContact OG1-CG 3.21Å; Q80-Y82 HydrophobicContact CB-CD2 4.2Å; Q80-Y82 HydrophobicContact CB-CE2 3.45Å; Q80-Y82 VanDerWaalsContact CB-CE2 3.45Å; Q80-Y82 PolarHBondContact OE1-OH 2.65Å; Q80-Q93 PolarHBondContact N-O 2.7Å; Q80-Q93 PolarHBondContact O-N 2.76Å
81I96.3Very high91.4Very high0 Ų046 Ų460%023%0.231CC..EExtended strand (participates in β ladder)trans-97.5125.4169.9-169.8169.7000109.5F17 L22 I49 S50 A90 V91 F113 F119F17-I81 HydrophobicContact CE1-CD1 4.16Å; F17-I81 HydrophobicContact CE2-CD1 3.92Å; F17-I81 HydrophobicContact CZ-CD1 3.66Å; F17-I81 HydrophobicContact CZ-CG1 4.41Å; L22-I81 HydrophobicContact CD1-CD1 4.41Å; I49-I81 HydrophobicContact CB-CG2 3.99Å; I49-I81 HydrophobicContact CG2-CG2 4.4Å; I49-I81 PolarHBondContact N-O 2.86Å; S50-I81 PolarHBondContact N-O 2.91Å; S50-I81 PolarHBondContact O-N 2.85Å; S50-I81 WeakPolarHBondContact OG-CG2 3.29Å; I81-A90 HydrophobicContact CD1-CB 4.26Å; I81-A90 HydrophobicContact CG1-CB 4.41Å; I81-V91 WeakPolarHBondContact CA-O 3.07Å; I81-F113 HydrophobicContact CD1-CZ 4.3Å; I81-F119 HydrophobicContact CD1-CE1 4.31Å; I81-F119 HydrophobicContact CD1-CZ 3.72Å
82Y96.5Very high92.8Very high5 Ų542 Ų422%0.0221%0.21CC..EExtended strand (participates in β ladder)trans-108.9151.1174-61.6-100.3000108.6I41 D47 V48 Y66 Q80 A90 V91 Q93I41-Y82 HydrophobicContact CD1-CD1 4.37Å; I41-Y82 HydrophobicContact CD1-CD2 3.4Å; I41-Y82 HydrophobicContact CD1-CE2 3.83Å; I41-Y82 HydrophobicContact CD1-CG 3.72Å; I41-Y82 HydrophobicContact CG1-CD1 4.44Å; I41-Y82 HydrophobicContact CG1-CD2 4.11Å; I41-Y82 HydrophobicContact CG1-CG 3.91Å; I41-Y82 HydrophobicContact CG2-CD1 3.56Å; I41-Y82 HydrophobicContact CG2-CE1 3.96Å; I41-Y82 HydrophobicContact CG2-CG 3.91Å; D47-Y82 CarbonylContact O-C 3.53Å; D47-Y82 WeakPolarHBondContact O-CA 3.48Å; V48-Y82 HydrophobicContact CB-CD1 3.95Å; V48-Y82 HydrophobicContact CB-CE1 3.75Å; V48-Y82 HydrophobicContact CG2-CE1 4.17Å; Y66-Y82 HydrophobicContact CD2-CE1 4.1Å; Y66-Y82 HydrophobicContact CE2-CD1 4.38Å; Y66-Y82 AromaticContact CE2-CE1 3.61Å; Y66-Y82 HydrophobicContact CE2-CE1 3.61Å; Y66-Y82 HydrophobicContact CE2-CE2 4.42Å; Y66-Y82 AromaticContact CE2-CZ 3.66Å; Q80-Y82 HydrophobicContact CB-CD2 4.2Å; Q80-Y82 HydrophobicContact CB-CE2 3.45Å; Q80-Y82 VanDerWaalsContact CB-CE2 3.45Å; Q80-Y82 PolarHBondContact OE1-OH 2.65Å; Y82-A90 CarbonylContact O-C 3.55Å; Y82-A90 VanDerWaalsContact O-CA 3.28Å; Y82-A90 WeakPolarHBondContact O-CA 3.36Å; Y82-V91 PolarHBondContact N-O 3.3Å; Y82-V91 PolarHBondContact O-N 3.08Å; Y82-Q93 HydrophobicContact CD2-CB 4.3Å; Y82-Q93 HydrophobicContact CE2-CB 4.05Å
83A96.3Very high94.3Very high3 Ų338.5 Ų38.53%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-144.8145.5176.800000113.1F17 Y20 C46 D47 I49 L89F17-A83 HydrophobicContact CE1-CB 4.14Å; Y20-A83 HydrophobicContact CE1-CB 4.22Å; C46-A83 WeakPolarHBondContact CA-O 3.42Å; D47-A83 PolarHBondContact N-O 2.91Å; D47-A83 PolarHBondContact O-N 2.96Å; I49-A83 HydrophobicContact CD1-CB 4.03Å; I49-A83 HydrophobicContact CG1-CB 3.65Å; A83-L89 CarbonylContact C-O 3.59Å; A83-L89 VanDerWaalsContact CA-O 3.24Å; A83-L89 WeakPolarHBondContact CA-O 3.32Å
84S95.1Very high95.4Very high8 Ų830.6 Ų30.66%0.05614%0.144CC..EExtended strand (participates in β ladder)trans-110111163.6173.40000108.3E86 L87 Q88 L89S84-E86 VanDerWaalsContact C-N 3.31Å; S84-L87 PolarHBondContact O-N 3.25Å; S84-L87 WeakPolarHBondContact OG-CG 3.38Å; S84-L87 PolarHBondContact OG-N 3.39Å; S84-Q88 PolarHBondContact O-N 3.23Å; S84-Q88 VanDerWaalsContact O-N 3.07Å; S84-L89 PolarHBondContact N-O 2.93Å; S84-L89 PolarHBondContact O-N 2.92Å; S84-L89 VanDerWaalsContact O-N 3.1Å
85R92.9Very high96Very high197 Ų19731.5 Ų31.574%0.74314%0.144SC*.THydrogen-bonded Turntrans-65.8-36.7178.7-179.3175.6-179.4-1791.6112.3Y20 L87 Q88Y20-R85 WeakPolarHBondContact OH-CA 3.49Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.19Å; R85-Q88 PolarHBondContact O-N 3.03Å
86E93Very high96.3Very high117 Ų11727.9 Ų27.955%0.54713%0.126SC..THydrogen-bonded Turntrans-58.4-45.2176.5-178-170.9-166.200111.2S84 R238S84-E86 VanDerWaalsContact C-N 3.31Å; E86-R238 IonicContact OE2-CZ 3.11Å; E86-R238 IonicContact OE2-NE 3.59Å; E86-R238 PolarHBondContact OE2-NE 3.27Å; E86-R238 IonicContact OE2-NH2 3.55Å; E86-R238 PolarHBondContact OE2-NH2 3.04Å
87L94.8Very high96.4Very high3 Ų329.8 Ų29.82%0.01614%0.141CC..THydrogen-bonded Turntrans-89.9-4.2-175.5-61.6175.7000113.8L44 S84 R85 L89 F234 Q237 R238L44-L87 HydrophobicContact CB-CD1 3.95Å; L44-L87 HydrophobicContact CD1-CD1 3.95Å; L44-L87 HydrophobicContact CD2-CD1 3.96Å; L44-L87 HydrophobicContact CG-CD1 4.17Å; S84-L87 PolarHBondContact O-N 3.25Å; S84-L87 WeakPolarHBondContact OG-CG 3.38Å; S84-L87 PolarHBondContact OG-N 3.39Å; R85-L87 VanDerWaalsContact C-N 3.32Å; R85-L87 PolarHBondContact O-N 3.19Å; L87-L89 HydrophobicContact CB-CB 3.91Å; L87-L89 PolarHBondContact O-N 3.45Å; L87-F234 HydrophobicContact CD1-CB 4.29Å; L87-F234 WeakPolarHBondContact CD2-O 3.38Å; L87-Q237 HydrophobicContact CD2-CB 3.75Å; L87-R238 HydrophobicContact CD2-CG 4.13Å
88Q95.6Very high96.6Very high92 Ų9228.9 Ų28.943%0.4314%0.136SC..THydrogen-bonded Turntrans45.847.7-167.6-57.7-179.5-54.500110.7S19 Y20 N21 S84 R85S19-Q88 VanDerWaalsContact CB-NE2 3.31Å; S19-Q88 PolarHBondContact OG-NE2 3.3Å; S19-Q88 VanDerWaalsContact OG-NE2 3.1Å; Y20-Q88 CarbonylContact C-O 3.56Å; Y20-Q88 WeakPolarHBondContact CA-O 3.45Å; Y20-Q88 WeakPolarHBondContact CB-O 3.41Å; Y20-Q88 HydrophobicContact CD1-CB 4.49Å; Y20-Q88 HydrophobicContact CD2-CB 4.21Å; Y20-Q88 HydrophobicContact CE2-CB 4.46Å; Y20-Q88 HydrophobicContact CG-CB 4.23Å; N21-Q88 PolarHBondContact N-O 2.65Å; S84-Q88 PolarHBondContact O-N 3.23Å; S84-Q88 VanDerWaalsContact O-N 3.07Å; R85-Q88 PolarHBondContact O-N 3.03Å
89L97.2Very high96.6Very high0 Ų033.3 Ų33.30%015%0.154CC..EExtended strand (participates in β ladder)trans-117.8131.6-177.4179.867.3000109I23 L44 A83 S84 L87 V91 F234I23-L89 HydrophobicContact CD1-CD1 4.38Å; I23-L89 HydrophobicContact CG1-CD1 3.77Å; L44-L89 HydrophobicContact CD1-CD2 3.38Å; A83-L89 CarbonylContact C-O 3.59Å; A83-L89 VanDerWaalsContact CA-O 3.24Å; A83-L89 WeakPolarHBondContact CA-O 3.32Å; S84-L89 PolarHBondContact N-O 2.93Å; S84-L89 PolarHBondContact O-N 2.92Å; S84-L89 VanDerWaalsContact O-N 3.1Å; L87-L89 HydrophobicContact CB-CB 3.91Å; L87-L89 PolarHBondContact O-N 3.45Å; L89-V91 HydrophobicContact CD2-CG2 4.4Å; L89-V91 HydrophobicContact CG-CG2 4.34Å; L89-F234 HydrophobicContact CD1-CE1 3.74Å; L89-F234 HydrophobicContact CD1-CZ 4Å; L89-F234 HydrophobicContact CD2-CD1 4.13Å; L89-F234 HydrophobicContact CD2-CE1 3.76Å; L89-F234 HydrophobicContact CD2-CZ 4.01Å; L89-F234 HydrophobicContact CG-CE1 4.26Å
90A97.5Very high96.5Very high0 Ų040.2 Ų40.20%020%0.197CC..EExtended strand (participates in β ladder)trans-117.1146.1167.900000109.5F17 Y20 N21 L22 I23 I81 Y82 F119F17-A90 HydrophobicContact CD1-CB 4.13Å; F17-A90 HydrophobicContact CE1-CB 4.05Å; Y20-A90 HydrophobicContact CD1-CB 4.32Å; N21-A90 PolarHBondContact O-N 2.99Å; L22-A90 CarbonylContact C-O 3.53Å; L22-A90 WeakPolarHBondContact CA-O 3.31Å; L22-A90 HydrophobicContact CD1-CB 3.69Å; I23-A90 PolarHBondContact N-O 3.22Å; I81-A90 HydrophobicContact CD1-CB 4.26Å; I81-A90 HydrophobicContact CG1-CB 4.41Å; Y82-A90 CarbonylContact O-C 3.55Å; Y82-A90 VanDerWaalsContact O-CA 3.28Å; Y82-A90 WeakPolarHBondContact O-CA 3.36Å; A90-F119 HydrophobicContact CB-CD1 4.39Å; A90-F119 HydrophobicContact CB-CE1 3.64Å; A90-F119 HydrophobicContact CB-CZ 4.47Å
91V98.5Very high96.5Very high0 Ų043.4 Ų43.40%023%0.231CC..EExtended strand (participates in β ladder)trans-128.6113.9176-1740000108.3I23 C37 L40 I41 I81 Y82 L89I23-V91 HydrophobicContact CB-CG2 4.45Å; I23-V91 CarbonylContact O-C 3.54Å; I23-V91 WeakPolarHBondContact O-CA 3.45Å; C37-V91 HydrophobicContact CB-CG1 3.68Å; C37-V91 VanDerWaalsContact SG-CG1 3.51Å; L40-V91 HydrophobicContact CB-CG2 4.42Å; I41-V91 HydrophobicContact CD1-CB 4.12Å; I41-V91 HydrophobicContact CD1-CG1 3.74Å; I41-V91 HydrophobicContact CG1-CB 3.88Å; I41-V91 HydrophobicContact CG1-CG1 3.88Å; I41-V91 HydrophobicContact CG1-CG2 4.19Å; I81-V91 WeakPolarHBondContact CA-O 3.07Å; Y82-V91 PolarHBondContact N-O 3.3Å; Y82-V91 PolarHBondContact O-N 3.08Å; L89-V91 HydrophobicContact CD2-CG2 4.4Å; L89-V91 HydrophobicContact CG-CG2 4.34Å
92L98.2Very high96.6Very high0 Ų043.8 Ų43.80%023%0.233CC..EExtended strand (participates in β ladder)trans-90100.5169.3174.155.9000108.5L22 I23 V24 A25 L52 I94 L110 F113L22-L92 HydrophobicContact CD1-CB 3.98Å; I23-L92 PolarHBondContact O-N 3.17Å; V24-L92 HydrophobicContact CG1-CB 4.48Å; V24-L92 HydrophobicContact CG1-CD2 4.1Å; V24-L92 HydrophobicContact CG1-CG 4.34Å; V24-L92 HydrophobicContact CG2-CB 4.34Å; V24-L92 HydrophobicContact CG2-CD2 4.46Å; A25-L92 PolarHBondContact N-O 3.37Å; L52-L92 HydrophobicContact CD1-CD1 3.57Å; L52-L92 HydrophobicContact CD1-CD2 4.2Å; L52-L92 HydrophobicContact CG-CD1 4.37Å; L92-I94 HydrophobicContact CD1-CG1 4.27Å; L92-I94 HydrophobicContact CD2-CD1 4.28Å; L92-I94 HydrophobicContact CG-CD1 4.29Å; L92-I94 HydrophobicContact CG-CG1 4.05Å; L92-L110 HydrophobicContact CD2-CD2 4.24Å; L92-F113 HydrophobicContact CD2-CD1 4.34Å; L92-F113 HydrophobicContact CD2-CE1 4.02Å
93Q98.3Very high96.6Very high2 Ų247.8 Ų47.81%0.00925%0.251CS..EExtended strand (participates in β ladder)trans-88.2118.8176.7-17962.6-69.100109.2Q34 D38 I41 S79 Q80 Y82 R95Q34-Q93 PolarHBondContact O-NE2 3.07Å; D38-Q93 PolarHBondContact OD1-NE2 3.07Å; I41-Q93 HydrophobicContact CD1-CB 3.97Å; I41-Q93 HydrophobicContact CD1-CG 4.47Å; S79-Q93 VanDerWaalsContact CA-O 3.29Å; S79-Q93 WeakPolarHBondContact CA-O 3.47Å; Q80-Q93 PolarHBondContact N-O 2.7Å; Q80-Q93 PolarHBondContact O-N 2.76Å; Y82-Q93 HydrophobicContact CD2-CB 4.3Å; Y82-Q93 HydrophobicContact CE2-CB 4.05Å; Q93-R95 HydrophobicContact CG-CG 4.47Å
94I98.2Very high96.5Very high6 Ų654.9 Ų54.93%0.03128%0.277CS..EExtended strand (participates in β ladder)trans-115.1117.5175.4-55.7176.5000107.6V24 V27 Q34 L54 T78 L92 A96 L110V24-I94 HydrophobicContact CG1-CD1 4.37Å; V27-I94 HydrophobicContact CG2-CB 4.42Å; V27-I94 HydrophobicContact CG2-CG2 4.13Å; V27-I94 VanDerWaalsContact CG2-O 3.22Å; V27-I94 WeakPolarHBondContact CG2-O 3.37Å; Q34-I94 VanDerWaalsContact CG-O 3.24Å; Q34-I94 WeakPolarHBondContact CG-O 3.15Å; L54-I94 HydrophobicContact CD1-CD1 4.06Å; L54-I94 HydrophobicContact CD1-CG1 4.32Å; T78-I94 CarbonylContact O-C 3.58Å; T78-I94 WeakPolarHBondContact O-CA 3.42Å; L92-I94 HydrophobicContact CD1-CG1 4.27Å; L92-I94 HydrophobicContact CD2-CD1 4.28Å; L92-I94 HydrophobicContact CG-CD1 4.29Å; L92-I94 HydrophobicContact CG-CG1 4.05Å; I94-A96 WeakPolarHBondContact CG2-O 3.46Å; I94-L110 HydrophobicContact CD1-CD1 4.35Å; I94-L110 HydrophobicContact CD1-CD2 4.23Å
95R97.3Very high96.7Very high55 Ų5560.2 Ų60.221%0.20830%0.296CS..  trans-89.5-19-171.1-63.4-65.8-170174.6-6.7114.2D38 Y66 M76 T78 Q93D38-R95 VanDerWaalsContact CG-NH1 3.28Å; D38-R95 IonicContact OD1-CZ 3.77Å; D38-R95 IonicContact OD1-NH1 3.09Å; D38-R95 PolarHBondContact OD1-NH1 3.38Å; D38-R95 IonicContact OD1-NH2 2.98Å; D38-R95 PolarHBondContact OD1-NH2 3.15Å; D38-R95 IonicContact OD2-CZ 2.66Å; D38-R95 IonicContact OD2-NH1 3.79Å; D38-R95 PolarHBondContact OD2-NH1 3.44Å; D38-R95 IonicContact OD2-NH2 3.26Å; Y66-R95 PolarHBondContact OH-NH2 3.27Å; M76-R95 HydrophobicContact SD-CG 4.03Å; T78-R95 WeakPolarHBondContact O-CB 3.42Å; T78-R95 PolarHBondContact O-N 2.68Å; Q93-R95 HydrophobicContact CG-CG 4.47Å
96A96.9Very high96.9Very high9 Ų951 Ų517%0.07426%0.261CS..SBendtrans-137.8143.5-176.500000111.6P58 V60 T78 I94P58-A96 HydrophobicContact CG-CB 3.54Å; V60-A96 HydrophobicContact CG2-CB 4.14Å; T78-A96 HydrophobicContact CG2-CB 4.03Å; I94-A96 WeakPolarHBondContact CG2-O 3.46Å
97P97.2Very high97.1Very high70 Ų7045.6 Ų45.646%0.45524%0.237SC..PPolyproline II helixtrans-70.6159.6176.632.4-33000110.1V27 P58V27-P97 HydrophobicContact CB-CB 4.25Å; V27-P97 HydrophobicContact CG1-CB 3.88Å; V27-P97 HydrophobicContact CG1-CG 4.19Å; P58-P97 WeakPolarHBondContact CD-O 3.32Å
98P97.8Very high97.2Very high19 Ų1951.8 Ų51.812%0.12326%0.263CS..PPolyproline II helixtrans-66.8155.9173.729.8-36.7000111.6Y56 K103 H106 I189Y56-P98 CarbonylContact O-C 3.48Å; Y56-P98 WeakPolarHBondContact O-CA 3.41Å; Y56-P98 WeakPolarHBondContact O-CB 3.46Å; P98-K103 HydrophobicContact CG-CG 4.31Å; P98-H106 HydrophobicContact CB-CB 3.81Å; P98-H106 HydrophobicContact CG-CB 4.2Å; P98-I189 HydrophobicContact CG-CG2 3.76Å
99F98.1Very high97.3Very high106 Ų10648.1 Ų48.147%0.46525%0.246SC..PPolyproline II helixtrans-53.4145.2175.1-61.8-67.2000111.9Y56 P58 G101 S102Y56-F99 WeakPolarHBondContact O-CD2 3.49Å; Y56-F99 PolarHBondContact O-N 2.69Å; P58-F99 HydrophobicContact CB-CE1 3.9Å; P58-F99 HydrophobicContact CB-CZ 4.02Å; F99-G101 PolarHBondContact O-N 2.66Å; F99-S102 VanDerWaalsContact O-CB 3.25Å; F99-S102 WeakPolarHBondContact O-CB 3.39Å; F99-S102 PolarHBondContact O-N 3.05Å
100T95.8Very high97.3Very high147 Ų14748.2 Ų48.290%0.90225%0.246SC*.THydrogen-bonded Turntrans-50133.8174.9-56.80000110.9S102T100-S102 PolarHBondContact O-N 3.36Å
101G96Very high97.3Very high72 Ų7248.6 Ų48.674%0.74225%0.249SC*.THydrogen-bonded Turntrans78.2-3.4-176.700000115.3F99F99-G101 PolarHBondContact O-N 2.66Å
102S97.4Very high97.1Very high8 Ų852.4 Ų52.46%0.05627%0.272CS..  trans-103.7-2.6-178.1-52.90000114.3F99 T100 R104 R105 H106F99-S102 VanDerWaalsContact O-CB 3.25Å; F99-S102 WeakPolarHBondContact O-CB 3.39Å; F99-S102 PolarHBondContact O-N 3.05Å; T100-S102 PolarHBondContact O-N 3.36Å; S102-R104 PolarHBondContact O-N 2.77Å; S102-R105 PolarHBondContact O-N 3.36Å; S102-R105 PolarHBondContact OG-NH2 3.46Å; S102-H106 PolarHBondContact O-N 3Å
103K95.9Very high96.9Very high90 Ų9052.4 Ų52.439%0.39127%0.272SS..Hα-helixtrans-46.2-50.9-176.6-66.5-169.4177.1-165.60113.9P98 R105 H106 V107 G188 I189 Y192P98-K103 HydrophobicContact CG-CG 4.31Å; K103-R105 PolarHBondContact O-N 3.37Å; K103-H106 PolarHBondContact O-N 2.8Å; K103-V107 VanDerWaalsContact O-CG2 3.3Å; K103-V107 WeakPolarHBondContact O-CG2 3.49Å; K103-V107 PolarHBondContact O-N 3.5Å; K103-G188 PolarHBondContact NZ-O 2.91Å; K103-I189 HydrophobicContact CB-CG2 4.09Å; K103-I189 HydrophobicContact CD-CG2 4.34Å; K103-I189 HydrophobicContact CG-CG2 4.03Å; K103-Y192 HydrophobicContact CD-CE2 4.18Å
104R95.7Very high96.7Very high151 Ų15152.6 Ų52.657%0.5727%0.273SS*.Hα-helixtrans-67.9-32.6-178.7-67.2-171.1-177.3-832.6113.3S102 K108S102-R104 PolarHBondContact O-N 2.77Å; R104-K108 WeakPolarHBondContact O-CG 3.39Å; R104-K108 PolarHBondContact O-N 3.33Å
105R97.7Very high96.5Very high121 Ų12156.5 Ų56.546%0.45729%0.29SS..Hα-helixtrans-71.8-43.3176.1-71-175.6-77.9145.4-1.5110.5Y56 S102 K103 V107 K108 E109Y56-R105 HydrophobicContact CD1-CB 4.32Å; Y56-R105 HydrophobicContact CD2-CB 3.95Å; Y56-R105 HydrophobicContact CE1-CB 4.02Å; Y56-R105 HydrophobicContact CE2-CB 3.55Å; Y56-R105 HydrophobicContact CG-CB 4.29Å; S102-R105 PolarHBondContact O-N 3.36Å; S102-R105 PolarHBondContact OG-NH2 3.46Å; K103-R105 PolarHBondContact O-N 3.37Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3Å; R105-K108 WeakPolarHBondContact O-CB 3.22Å; R105-K108 PolarHBondContact O-N 3.08Å; R105-K108 VanDerWaalsContact O-N 3.14Å; R105-E109 PolarHBondContact O-N 3.15Å
106H97.8Very high96.1Very high2 Ų255.7 Ų55.71%0.00929%0.293CS..Hα-helixtrans-60.2-40.6173.5-17254.9000113.4Y56 C57 P98 S102 K103 K108 E109 L110Y56-H106 HydrophobicContact CD2-CB 4.03Å; Y56-H106 HydrophobicContact CG-CB 4.28Å; C57-H106 PolarHBondContact SG-CE1 2.88Å; P98-H106 HydrophobicContact CB-CB 3.81Å; P98-H106 HydrophobicContact CG-CB 4.2Å; S102-H106 PolarHBondContact O-N 3Å; K103-H106 PolarHBondContact O-N 2.8Å; H106-K108 VanDerWaalsContact C-N 3.35Å; H106-K108 PolarHBondContact O-N 2.69Å; H106-E109 IonicContact CE1-OE2 2.87Å; H106-E109 IonicContact ND1-OE2 2.8Å; H106-E109 PolarHBondContact ND1-OE2 3.32Å; H106-E109 VanDerWaalsContact ND1-OE2 3.09Å; H106-E109 WeakPolarHBondContact O-CB 3.22Å; H106-E109 PolarHBondContact O-N 3.43Å; H106-L110 PolarHBondContact O-N 3.07Å
107V97.9Very high95.9Very high5 Ų555.6 Ų55.63%0.0329%0.291CS..Hα-helixtrans-58.9-46.1172.9165.10000111.2K103 R105 E109 L110 V111 I189 L193 E196K103-V107 VanDerWaalsContact O-CG2 3.3Å; K103-V107 WeakPolarHBondContact O-CG2 3.49Å; K103-V107 PolarHBondContact O-N 3.5Å; R105-V107 VanDerWaalsContact C-N 3.34Å; R105-V107 PolarHBondContact O-N 3Å; V107-E109 VanDerWaalsContact C-N 3.33Å; V107-E109 PolarHBondContact O-N 3.45Å; V107-L110 PolarHBondContact O-N 2.8Å; V107-V111 HydrophobicContact CG1-CG2 4.36Å; V107-V111 VanDerWaalsContact O-CG2 3.28Å; V107-V111 WeakPolarHBondContact O-CG2 3.34Å; V107-V111 PolarHBondContact O-N 2.79Å; V107-I189 HydrophobicContact CG2-CB 4.17Å; V107-I189 HydrophobicContact CG2-CD1 4.3Å; V107-L193 HydrophobicContact CG1-CD1 4.22Å; V107-L193 HydrophobicContact CG2-CB 4.23Å; V107-E196 HydrophobicContact CG1-CB 3.69Å; V107-E196 HydrophobicContact CG1-CG 4.06Å
108K97.5Very high95.7Very high132 Ų13257.7 Ų57.757%0.57429%0.293SS*.Hα-helixtrans-63-39.5177.8-71.5178.5177.5-172.40112.6R104 R105 H106 V111 T112R104-K108 WeakPolarHBondContact O-CG 3.39Å; R104-K108 PolarHBondContact O-N 3.33Å; R105-K108 WeakPolarHBondContact O-CB 3.22Å; R105-K108 PolarHBondContact O-N 3.08Å; R105-K108 VanDerWaalsContact O-N 3.14Å; H106-K108 VanDerWaalsContact C-N 3.35Å; H106-K108 PolarHBondContact O-N 2.69Å; K108-V111 PolarHBondContact O-N 2.83Å; K108-T112 WeakPolarHBondContact O-CB 3.46Å; K108-T112 PolarHBondContact O-N 2.86Å; K108-T112 PolarHBondContact O-OG1 3.32Å
109E96.7Very high95.5Very high16 Ų1657.4 Ų57.48%0.07529%0.29CS..Hα-helixtrans-59.8-50.6174.6173.7-178.3-129.700111.2L8 L54 E55 Y56 R105 H106 V107 V111 T112 F113L8-E109 HydrophobicContact CD2-CG 4.23Å; L8-E109 WeakPolarHBondContact CD2-OE1 3.45Å; L54-E109 WeakPolarHBondContact CA-OE1 3.12Å; L54-E109 HydrophobicContact CD2-CG 4.09Å; E55-E109 WeakPolarHBondContact CB-OE1 3.26Å; E55-E109 PolarHBondContact N-OE1 2.93Å; Y56-E109 HydrophobicContact CD2-CB 4.39Å; Y56-E109 WeakPolarHBondContact CD2-OE2 3.41Å; Y56-E109 HydrophobicContact CE2-CB 4.3Å; R105-E109 PolarHBondContact O-N 3.15Å; H106-E109 IonicContact CE1-OE2 2.87Å; H106-E109 IonicContact ND1-OE2 2.8Å; H106-E109 PolarHBondContact ND1-OE2 3.32Å; H106-E109 VanDerWaalsContact ND1-OE2 3.09Å; H106-E109 WeakPolarHBondContact O-CB 3.22Å; H106-E109 PolarHBondContact O-N 3.43Å; V107-E109 VanDerWaalsContact C-N 3.33Å; V107-E109 PolarHBondContact O-N 3.45Å; E109-V111 PolarHBondContact O-N 2.76Å; E109-T112 WeakPolarHBondContact O-CB 3.47Å; E109-T112 PolarHBondContact O-N 2.83Å; E109-F113 PolarHBondContact O-N 3.46Å
110L97Very high95.4Very high1 Ų157.8 Ų57.81%0.00529%0.291CS..Hα-helixtrans-63.1-41.6177-75.1174.8000112.7L54 L92 I94 H106 V107 T112 F113 L114 I189 L193L54-L110 HydrophobicContact CD1-CD2 4.05Å; L54-L110 HydrophobicContact CD2-CD2 3.91Å; L92-L110 HydrophobicContact CD2-CD2 4.24Å; I94-L110 HydrophobicContact CD1-CD1 4.35Å; I94-L110 HydrophobicContact CD1-CD2 4.23Å; H106-L110 PolarHBondContact O-N 3.07Å; V107-L110 PolarHBondContact O-N 2.8Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.42Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 3.21Å; L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 2.77Å; L110-I189 HydrophobicContact CD1-CD1 3.57Å; L110-L193 HydrophobicContact CB-CD1 4.12Å; L110-L193 HydrophobicContact CD1-CD2 4.07Å
111V96.8Very high95.4Very high8 Ų851.1 Ų51.15%0.04825%0.25CS..Hα-helixtrans-61.4-41.5175.7170.30000110.7V107 K108 E109 F113 L114 K115 L193 E196 L197V107-V111 HydrophobicContact CG1-CG2 4.36Å; V107-V111 VanDerWaalsContact O-CG2 3.28Å; V107-V111 WeakPolarHBondContact O-CG2 3.34Å; V107-V111 PolarHBondContact O-N 2.79Å; K108-V111 PolarHBondContact O-N 2.83Å; E109-V111 PolarHBondContact O-N 2.76Å; V111-F113 VanDerWaalsContact C-N 3.34Å; V111-F113 PolarHBondContact O-N 3.23Å; V111-L114 PolarHBondContact O-N 2.97Å; V111-K115 HydrophobicContact CG1-CD 3.95Å; V111-K115 HydrophobicContact CG1-CG 4.31Å; V111-K115 WeakPolarHBondContact O-CB 3.47Å; V111-K115 VanDerWaalsContact O-CG 3.26Å; V111-K115 WeakPolarHBondContact O-CG 3.4Å; V111-K115 PolarHBondContact O-N 2.88Å; V111-L193 HydrophobicContact CG2-CD1 3.76Å; V111-E196 HydrophobicContact CG2-CB 4.05Å; V111-E196 HydrophobicContact CG2-CG 3.79Å; V111-L197 HydrophobicContact CG1-CD2 4.41Å; V111-L197 HydrophobicContact CG2-CD2 3.92Å; V111-L197 HydrophobicContact CG2-CG 4.09Å
112T94.9Very high95.5Very high80 Ų8047.8 Ų47.849%0.49122%0.215SC..Hα-helixtrans-60.2-44.7176.1-56.40000111.1F9 K108 E109 L110 S116F9-T112 HydrophobicContact CE2-CG2 4.19Å; F9-T112 HydrophobicContact CZ-CG2 4Å; K108-T112 WeakPolarHBondContact O-CB 3.46Å; K108-T112 PolarHBondContact O-N 2.86Å; K108-T112 PolarHBondContact O-OG1 3.32Å; E109-T112 WeakPolarHBondContact O-CB 3.47Å; E109-T112 PolarHBondContact O-N 2.83Å; L110-T112 VanDerWaalsContact C-N 3.29Å; L110-T112 PolarHBondContact O-N 3.42Å; T112-S116 PolarHBondContact O-N 3.02Å
113F93.6Very high95.5Very high1 Ų147.4 Ų47.40%0.00421%0.213CC..Hα-helixtrans-57.4-55.9173.1172.9-117.9000112.2F9 L52 I81 L92 E109 L110 V111 K115 S116 M117 F119F9-F113 HydrophobicContact CD1-CB 4Å; F9-F113 AromaticContact CD1-CD2 3.29Å; F9-F113 HydrophobicContact CD1-CD2 3.29Å; F9-F113 HydrophobicContact CD1-CE2 4.16Å; F9-F113 HydrophobicContact CD1-CG 4.06Å; F9-F113 VanDerWaalsContact CE1-CA 3.46Å; F9-F113 HydrophobicContact CE1-CB 3.38Å; F9-F113 AromaticContact CE1-CD2 3.65Å; F9-F113 HydrophobicContact CE1-CD2 3.65Å; F9-F113 AromaticContact CE1-CG 3.95Å; F9-F113 HydrophobicContact CE1-CG 3.95Å; F9-F113 HydrophobicContact CG-CD2 4.06Å; F9-F113 HydrophobicContact CZ-CB 3.97Å; L52-F113 HydrophobicContact CD1-CD1 4.04Å; L52-F113 HydrophobicContact CD1-CD2 4.33Å; L52-F113 HydrophobicContact CD1-CE1 3.7Å; L52-F113 HydrophobicContact CD1-CE2 3.96Å; L52-F113 HydrophobicContact CD1-CG 4.33Å; L52-F113 HydrophobicContact CD1-CZ 3.63Å; L52-F113 HydrophobicContact CD2-CD2 4.44Å; L52-F113 HydrophobicContact CD2-CE2 3.85Å; L52-F113 HydrophobicContact CD2-CZ 4.14Å; I81-F113 HydrophobicContact CD1-CZ 4.3Å; L92-F113 HydrophobicContact CD2-CD1 4.34Å; L92-F113 HydrophobicContact CD2-CE1 4.02Å; E109-F113 PolarHBondContact O-N 3.46Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 3.21Å; V111-F113 VanDerWaalsContact C-N 3.34Å; V111-F113 PolarHBondContact O-N 3.23Å; F113-K115 VanDerWaalsContact C-N 3.29Å; F113-K115 PolarHBondContact O-N 2.87Å; F113-S116 WeakPolarHBondContact O-CB 3.41Å; F113-S116 PolarHBondContact O-N 2.9Å; F113-S116 PolarHBondContact O-OG 3.45Å; F113-M117 HydrophobicContact CD2-CE 4.25Å; F113-M117 HydrophobicContact CD2-CG 3.86Å; F113-M117 HydrophobicContact CE1-CG 4.41Å; F113-M117 HydrophobicContact CE2-CE 3.92Å; F113-M117 HydrophobicContact CE2-CG 3.4Å; F113-M117 HydrophobicContact CE2-SD 3.97Å; F113-M117 HydrophobicContact CZ-CG 3.71Å; F113-M117 HydrophobicContact CZ-SD 4.49Å; F113-M117 PolarHBondContact O-N 2.88Å; F113-F119 HydrophobicContact CE1-CE2 4.37Å; F113-F119 HydrophobicContact CZ-CE2 4.49Å
114L94.7Very high95.7Very high5 Ų543.1 Ų43.13%0.02619%0.194CC..Hα-helixtrans-59.9-40-174.3-68.4171.6000111.8L22 L110 V111 S116 M117 K118 F119 V122 L197 I203L22-L114 HydrophobicContact CD2-CD2 3.24Å; L110-L114 WeakPolarHBondContact O-CB 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.42Å; L110-L114 PolarHBondContact O-N 2.77Å; V111-L114 PolarHBondContact O-N 2.97Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.77Å; L114-M117 PolarHBondContact O-N 3.49Å; L114-K118 PolarHBondContact O-N 3.49Å; L114-F119 HydrophobicContact CD2-CD2 4.31Å; L114-F119 HydrophobicContact CD2-CE2 4.37Å; L114-V122 HydrophobicContact CD1-CG1 4.3Å; L114-V122 HydrophobicContact CD2-CG1 4.33Å; L114-V122 HydrophobicContact CD2-CG2 4.24Å; L114-L197 HydrophobicContact CD1-CD1 3.89Å; L114-L197 HydrophobicContact CD1-CD2 3.99Å; L114-I203 HydrophobicContact CB-CD1 4.5Å
115K93.1Very high95.8Very high89 Ų8936 Ų3639%0.38717%0.167SC..Hα-helixtrans-61.9-38.6174.2-73.4-178.270.5163.30112.9V111 F113 H200 E202 I203V111-K115 HydrophobicContact CG1-CD 3.95Å; V111-K115 HydrophobicContact CG1-CG 4.31Å; V111-K115 WeakPolarHBondContact O-CB 3.47Å; V111-K115 VanDerWaalsContact O-CG 3.26Å; V111-K115 WeakPolarHBondContact O-CG 3.4Å; V111-K115 PolarHBondContact O-N 2.88Å; F113-K115 VanDerWaalsContact C-N 3.29Å; F113-K115 PolarHBondContact O-N 2.87Å; K115-H200 PolarHBondContact NZ-CE1 3.23Å; K115-H200 PolarHBondContact NZ-ND1 3.34Å; K115-E202 WeakPolarHBondContact CE-OE1 3.37Å; K115-E202 IonicContact NZ-OE1 2.68Å; K115-I203 HydrophobicContact CG-CD1 3.74Å
116S90.9Very high95.8Very high38 Ų3830.4 Ų30.427%0.26615%0.147SC..Hα-helixtrans-70.3-30.5-179.274.10000113.6T112 F113 L114T112-S116 PolarHBondContact O-N 3.02Å; F113-S116 WeakPolarHBondContact O-CB 3.41Å; F113-S116 PolarHBondContact O-N 2.9Å; F113-S116 PolarHBondContact O-OG 3.45Å; L114-S116 VanDerWaalsContact C-N 3.33Å; L114-S116 PolarHBondContact O-N 2.77Å
117M91.6Very high95.9Very high7 Ų730.3 Ų30.33%0.03415%0.147CC..Hα-helixtrans-89.5-19.7-175.7-65.2-64.7130.100114F9 F17 F113 L114 F119F9-M117 HydrophobicContact CB-CE 3.89Å; F9-M117 HydrophobicContact CG-CE 4.42Å; F17-M117 HydrophobicContact CD2-CB 4.47Å; F17-M117 HydrophobicContact CD2-SD 3.94Å; F17-M117 HydrophobicContact CE2-SD 4.22Å; F113-M117 HydrophobicContact CD2-CE 4.25Å; F113-M117 HydrophobicContact CD2-CG 3.86Å; F113-M117 HydrophobicContact CE1-CG 4.41Å; F113-M117 HydrophobicContact CE2-CE 3.92Å; F113-M117 HydrophobicContact CE2-CG 3.4Å; F113-M117 HydrophobicContact CE2-SD 3.97Å; F113-M117 HydrophobicContact CZ-CG 3.71Å; F113-M117 HydrophobicContact CZ-SD 4.49Å; F113-M117 PolarHBondContact O-N 2.88Å; L114-M117 PolarHBondContact O-N 3.49Å; M117-F119 HydrophobicContact CB-CD2 3.67Å; M117-F119 HydrophobicContact CB-CE2 3.22Å; M117-F119 HydrophobicContact CB-CZ 3.89Å; M117-F119 HydrophobicContact CG-CE2 3.82Å; M117-F119 HydrophobicContact CG-CZ 4.3Å; M117-F119 PolarHBondContact O-N 2.98Å
118K92.2Very high95.8Very high114 Ų11430.1 Ų30.150%0.49615%0.145SC..THydrogen-bonded Turntrans54.242.5174.5-54.7177.6-175.7170.20114.6N15 S18 L114N15-K118 PolarHBondContact OD1-NZ 3.42Å; S18-K118 WeakPolarHBondContact CA-O 3.45Å; L114-K118 PolarHBondContact O-N 3.49Å
119F95.1Very high95.7Very high12 Ų1227.4 Ų27.45%0.05313%0.134CC..  trans-53.1145.9174.9-66.4-83.8000111.9F17 L22 I81 A90 F113 L114 M117 T121 V122F17-F119 HydrophobicContact CB-CD1 3.52Å; F17-F119 HydrophobicContact CB-CE1 3.33Å; F17-F119 HydrophobicContact CB-CG 4.26Å; F17-F119 HydrophobicContact CB-CZ 3.91Å; F17-F119 HydrophobicContact CD1-CD1 4.35Å; F17-F119 AromaticContact CD1-CE1 3.54Å; F17-F119 HydrophobicContact CD1-CE1 3.54Å; F17-F119 HydrophobicContact CD1-CZ 4.21Å; F17-F119 AromaticContact CD2-CE1 3.93Å; F17-F119 HydrophobicContact CD2-CE1 3.93Å; F17-F119 AromaticContact CD2-CZ 3.82Å; F17-F119 HydrophobicContact CD2-CZ 3.82Å; F17-F119 HydrophobicContact CE1-CE1 4.28Å; F17-F119 HydrophobicContact CE2-CZ 4.38Å; F17-F119 HydrophobicContact CG-CD1 4.06Å; F17-F119 AromaticContact CG-CE1 3.33Å; F17-F119 HydrophobicContact CG-CE1 3.33Å; F17-F119 AromaticContact CG-CZ 3.73Å; F17-F119 HydrophobicContact CG-CZ 3.73Å; L22-F119 HydrophobicContact CB-CB 4.17Å; L22-F119 HydrophobicContact CB-CD1 3.59Å; L22-F119 HydrophobicContact CB-CD2 4.13Å; L22-F119 HydrophobicContact CB-CE1 3.94Å; L22-F119 HydrophobicContact CB-CE2 4.45Å; L22-F119 HydrophobicContact CB-CG 3.7Å; L22-F119 HydrophobicContact CB-CZ 4.37Å; L22-F119 HydrophobicContact CD1-CD1 4.47Å; L22-F119 HydrophobicContact CD1-CE1 3.93Å; L22-F119 HydrophobicContact CD1-CE2 4.42Å; L22-F119 HydrophobicContact CD1-CZ 3.93Å; L22-F119 HydrophobicContact CD2-CD2 3.76Å; L22-F119 HydrophobicContact CD2-CE1 4.41Å; L22-F119 HydrophobicContact CD2-CE2 3.64Å; L22-F119 HydrophobicContact CD2-CG 4.22Å; L22-F119 HydrophobicContact CD2-CZ 4.01Å; L22-F119 HydrophobicContact CG-CD1 4.41Å; L22-F119 HydrophobicContact CG-CD2 4.48Å; L22-F119 HydrophobicContact CG-CE1 4.31Å; L22-F119 HydrophobicContact CG-CE2 4.39Å; L22-F119 HydrophobicContact CG-CG 4.49Å; L22-F119 HydrophobicContact CG-CZ 4.33Å; I81-F119 HydrophobicContact CD1-CE1 4.31Å; I81-F119 HydrophobicContact CD1-CZ 3.72Å; A90-F119 HydrophobicContact CB-CD1 4.39Å; A90-F119 HydrophobicContact CB-CE1 3.64Å; A90-F119 HydrophobicContact CB-CZ 4.47Å; F113-F119 HydrophobicContact CE1-CE2 4.37Å; F113-F119 HydrophobicContact CZ-CE2 4.49Å; L114-F119 HydrophobicContact CD2-CD2 4.31Å; L114-F119 HydrophobicContact CD2-CE2 4.37Å; M117-F119 HydrophobicContact CB-CD2 3.67Å; M117-F119 HydrophobicContact CB-CE2 3.22Å; M117-F119 HydrophobicContact CB-CZ 3.89Å; M117-F119 HydrophobicContact CG-CE2 3.82Å; M117-F119 HydrophobicContact CG-CZ 4.3Å; M117-F119 PolarHBondContact O-N 2.98Å; F119-T121 VanDerWaalsContact C-N 3.34Å; F119-T121 PolarHBondContact O-N 3.43Å; F119-V122 HydrophobicContact CB-CG2 4.1Å
120K94.7Very high95.6Very high115 Ų11528 Ų2850%0.514%0.141SC..SBendtrans-57.8-48.8176.5-178.4-165.9170.8-171.90110.8Y20Y20-K120 WeakPolarHBondContact O-CB 3.42Å; Y20-K120 PolarHBondContact O-N 2.92Å
121T95.8Very high95.3Very high6 Ų633.7 Ų33.74%0.03718%0.176CC..EExtended strand (participates in β ladder)trans-141.2152.3174.469.20000109.7N21 L22 F119 F151 S204N21-T121 WeakPolarHBondContact CB-OG1 3.47Å; N21-T121 PolarHBondContact OD1-OG1 3.49Å; L22-T121 PolarHBondContact N-O 3.16Å; F119-T121 VanDerWaalsContact C-N 3.34Å; F119-T121 PolarHBondContact O-N 3.43Å; T121-F151 HydrophobicContact CG2-CE1 4.19Å; T121-F151 HydrophobicContact CG2-CZ 4.25Å; T121-S204 CarbonylContact C-O 3.5Å; T121-S204 WeakPolarHBondContact CA-O 3.5Å
122V98Very high94.9Very high2 Ų235.1 Ų35.11%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-122.1118.5174.8178.20000108.5L22 V24 L114 F119 L124 I203 S204 V205 C206L22-V122 HydrophobicContact CB-CG2 4.45Å; L22-V122 HydrophobicContact CD2-CG1 4.34Å; L22-V122 HydrophobicContact CD2-CG2 4.4Å; V24-V122 HydrophobicContact CG2-CG1 4.03Å; L114-V122 HydrophobicContact CD1-CG1 4.3Å; L114-V122 HydrophobicContact CD2-CG1 4.33Å; L114-V122 HydrophobicContact CD2-CG2 4.24Å; F119-V122 HydrophobicContact CB-CG2 4.1Å; V122-L124 HydrophobicContact CG1-CD2 3.84Å; V122-I203 HydrophobicContact CB-CG2 4.35Å; V122-I203 HydrophobicContact CG2-CG2 3.94Å; V122-S204 PolarHBondContact N-O 3.42Å; V122-V205 CarbonylContact O-C 3.46Å; V122-V205 VanDerWaalsContact O-CA 3.28Å; V122-V205 WeakPolarHBondContact O-CA 3.44Å; V122-C206 PolarHBondContact O-N 2.91Å
123V98.5Very high94.5Very high0 Ų032.5 Ų32.50%017%0.166CC..EExtended strand (participates in β ladder)trans-106.2111.9175-172.10000108.3L22 I23 V24 L125 C206 L208 L228 W231L22-V123 PolarHBondContact O-N 2.99Å; I23-V123 WeakPolarHBondContact CA-O 3.41Å; I23-V123 HydrophobicContact CD1-CB 3.68Å; I23-V123 HydrophobicContact CD1-CG1 4.32Å; I23-V123 HydrophobicContact CD1-CG2 3.83Å; V24-V123 PolarHBondContact N-O 3.34Å; V123-L125 HydrophobicContact CG1-CD2 3.89Å; V123-L125 PolarHBondContact O-N 3.22Å; V123-C206 CarbonylContact C-O 3.5Å; V123-C206 WeakPolarHBondContact CA-O 3.14Å; V123-C206 HydrophobicContact CG1-CB 4.42Å; V123-C206 HydrophobicContact CG2-CB 4.39Å; V123-L208 HydrophobicContact CG1-CB 4.12Å; V123-L208 HydrophobicContact CG1-CD2 4.5Å; V123-L228 HydrophobicContact CG1-CD2 4.33Å; V123-W231 HydrophobicContact CG1-CZ3 4.25Å; V123-W231 HydrophobicContact CG2-CH2 4.05Å; V123-W231 HydrophobicContact CG2-CZ3 3.83Å
124L98.8Very high94Very high0 Ų036.4 Ų36.40%018%0.183CC..EExtended strand (participates in β ladder)trans-84109.4172.4-52.7-178.3000108.1V24 V122 L193 F194 L197 V205 C206 L207 L208V24-L124 HydrophobicContact CB-CD2 3.94Å; V24-L124 HydrophobicContact CG1-CD2 4.4Å; V24-L124 HydrophobicContact CG2-CD2 4.06Å; V122-L124 HydrophobicContact CG1-CD2 3.84Å; L124-L193 HydrophobicContact CD1-CB 4.16Å; L124-L193 HydrophobicContact CD1-CD2 4.05Å; L124-L193 HydrophobicContact CD1-CG 3.84Å; L124-L193 HydrophobicContact CD2-CD2 3.62Å; L124-L193 HydrophobicContact CD2-CG 4.18Å; L124-L193 HydrophobicContact CG-CD2 4.47Å; L124-F194 HydrophobicContact CD1-CB 3.95Å; L124-F194 HydrophobicContact CD1-CD2 4.31Å; L124-L197 HydrophobicContact CD1-CD1 4.19Å; L124-L197 HydrophobicContact CD2-CD1 4.35Å; L124-V205 HydrophobicContact CD1-CG2 4.07Å; L124-V205 HydrophobicContact CG-CG2 4.02Å; L124-C206 PolarHBondContact N-O 2.91Å; L124-L207 HydrophobicContact CB-CD1 4.1Å; L124-L208 PolarHBondContact O-N 2.87Å
125L98.8Very high93.5Very high2 Ų242.3 Ų42.31%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-83.1127.4170.5-59-170.4000109.1I23 V24 C26 A33 A36 V123 L208 V224 L228I23-L125 HydrophobicContact CG2-CD1 3.33Å; I23-L125 HydrophobicContact CG2-CD2 4.21Å; I23-L125 HydrophobicContact CG2-CG 3.5Å; V24-L125 PolarHBondContact O-N 3.09Å; C26-L125 WeakPolarHBondContact CA-O 3.33Å; C26-L125 WeakPolarHBondContact CB-O 3.38Å; C26-L125 PolarHBondContact N-O 2.98Å; A33-L125 HydrophobicContact CB-CB 3.85Å; A33-L125 VanDerWaalsContact CB-O 3.23Å; A33-L125 WeakPolarHBondContact CB-O 3.31Å; A36-L125 HydrophobicContact CB-CD1 4.07Å; V123-L125 HydrophobicContact CG1-CD2 3.89Å; V123-L125 PolarHBondContact O-N 3.22Å; L125-L208 HydrophobicContact CD2-CB 4.03Å; L125-L208 HydrophobicContact CD2-CD2 3.74Å; L125-L208 HydrophobicContact CD2-CG 4.24Å; L125-V224 HydrophobicContact CD1-CG1 4.34Å; L125-V224 HydrophobicContact CD2-CG1 4.37Å; L125-L228 HydrophobicContact CD1-CD1 3.82Å; L125-L228 HydrophobicContact CD2-CD1 3.9Å; L125-L228 HydrophobicContact CD2-CD2 4.21Å; L125-L228 HydrophobicContact CG-CD1 4.49Å
126S98.4Very high93Very high4 Ų445 Ų453%0.02823%0.229CC..EExtended strand (participates in β ladder)trans-141.1170.5175.8710000111.8L207 L208 N209 L210S126-L207 WeakPolarHBondContact OG-CD1 3.5Å; S126-L208 PolarHBondContact N-O 2.84Å; S126-N209 WeakPolarHBondContact O-CA 3.16Å; S126-N209 WeakPolarHBondContact OG-CB 3.27Å; S126-N209 PolarHBondContact OG-OD1 2.93Å; S126-L210 PolarHBondContact O-N 3.33Å
127S98.3Very high92.6Very high0 Ų043.4 Ų43.40%022%0.217CC..EExtended strand (participates in β ladder)trans-138.2150.5172.645.60000110.3V29 G186 C187 L210V29-S127 WeakPolarHBondContact O-CB 3.29Å; V29-S127 PolarHBondContact O-OG 2.98Å; S127-G186 CarbonylContact O-C 3.58Å; S127-C187 WeakPolarHBondContact O-CA 3.34Å; S127-C187 PolarHBondContact O-N 3.44Å; S127-L210 CarbonylContact C-O 3.57Å; S127-L210 WeakPolarHBondContact CA-O 3.4Å
128S96.9Very high92.1Very high0 Ų048.2 Ų48.20%024%0.242CC..EExtended strand (participates in β ladder)trans-138.9160.4178.8-61.60000110.7V29 A130 L184 P185 N209 L210 F211 T212V29-S128 VanDerWaalsContact CG1-C 3.49Å; S128-A130 PolarHBondContact O-N 3.17Å; S128-L184 WeakPolarHBondContact OG-CB 3.39Å; S128-P185 VanDerWaalsContact CA-O 3.32Å; S128-P185 WeakPolarHBondContact CA-O 3.45Å; S128-P185 VanDerWaalsContact CB-O 3.31Å; S128-P185 WeakPolarHBondContact CB-O 3.31Å; S128-N209 PolarHBondContact N-OD1 3.29Å; S128-N209 PolarHBondContact OG-ND2 3.43Å; S128-N209 PolarHBondContact OG-OD1 2.91Å; S128-L210 PolarHBondContact N-O 3.32Å; S128-F211 CarbonylContact O-C 3.54Å; S128-F211 WeakPolarHBondContact O-CA 3.36Å; S128-T212 PolarHBondContact O-N 3.17Å
129F96Very high91.7Very high76 Ų7650 Ų5033%0.33326%0.257SS..EExtended strand (participates in β ladder)trans-65123.3-179-66.6-73.1000111V29 T131 I132 P185 T212 E214V29-F129 HydrophobicContact CB-CD1 4.36Å; V29-F129 HydrophobicContact CB-CE1 4.02Å; V29-F129 HydrophobicContact CB-CZ 4.1Å; V29-F129 HydrophobicContact CG2-CD1 3.57Å; V29-F129 HydrophobicContact CG2-CE1 3.21Å; V29-F129 HydrophobicContact CG2-CG 4.36Å; V29-F129 HydrophobicContact CG2-CZ 3.75Å; F129-T131 PolarHBondContact O-N 2.82Å; F129-I132 WeakPolarHBondContact O-CG1 3.18Å; F129-I132 PolarHBondContact O-N 2.79Å; F129-P185 HydrophobicContact CD2-CB 4.29Å; F129-P185 WeakPolarHBondContact CD2-O 3.39Å; F129-P185 PolarHBondContact N-O 3.02Å; F129-T212 CarbonylContact C-O 3.54Å; F129-T212 WeakPolarHBondContact CA-O 3.13Å; F129-E214 HydrophobicContact CE1-CG 4.36Å
130A94Very high91.3Very high28 Ų2851.3 Ų51.323%0.23127%0.267CS..G310 helixtrans-63.3-21.4175.600000112.9S128 I132 L133 F211 T212S128-A130 PolarHBondContact O-N 3.17Å; A130-I132 PolarHBondContact O-N 2.75Å; A130-L133 WeakPolarHBondContact O-CB 3.2Å; A130-L133 WeakPolarHBondContact O-CG 3.47Å; A130-L133 PolarHBondContact O-N 2.91Å; A130-F211 HydrophobicContact CB-CB 4.16Å; A130-T212 PolarHBondContact N-O 3.07Å
131T90.6Very high91.2Very high120 Ų12047.9 Ų47.974%0.73626%0.257SS*.G310 helixtrans-63.4-9.6179.154.70000114.5F129F129-T131 PolarHBondContact O-N 2.82Å
132I87.4Confident91.1Very high38 Ų3849.9 Ų49.920%0.19527%0.27CS..G310 helixtrans-87.7-17.3175.478.2179.2000113.8F129 A130 K134 Y183 P185 F211F129-I132 WeakPolarHBondContact O-CG1 3.18Å; F129-I132 PolarHBondContact O-N 2.79Å; A130-I132 PolarHBondContact O-N 2.75Å; I132-K134 PolarHBondContact O-N 3.08Å; I132-Y183 HydrophobicContact CD1-CD1 4.32Å; I132-Y183 WeakPolarHBondContact CD1-O 3.47Å; I132-Y183 HydrophobicContact CG2-CE1 4.4Å; I132-P185 HydrophobicContact CD1-CG 3.97Å; I132-P185 HydrophobicContact CG2-CG 3.41Å; I132-P185 VanDerWaalsContact CG2-CG 3.41Å; I132-F211 HydrophobicContact CD1-CD1 4.34Å; I132-F211 HydrophobicContact CD1-CE1 3.63Å; I132-F211 HydrophobicContact CG1-CD1 4.34Å; I132-F211 HydrophobicContact CG1-CE1 4Å
133L86.5Confident91Very high26 Ų2650.1 Ų50.114%0.13627%0.271CS..  trans-64.8130.4-178.2-66.7179.3000108.5A130 E137 F211A130-L133 WeakPolarHBondContact O-CB 3.2Å; A130-L133 WeakPolarHBondContact O-CG 3.47Å; A130-L133 PolarHBondContact O-N 2.91Å; L133-E137 HydrophobicContact CB-CB 4.08Å; L133-E137 HydrophobicContact CD2-CB 4.15Å; L133-F211 HydrophobicContact CD1-CB 3.75Å; L133-F211 HydrophobicContact CD1-CD1 4.46Å; L133-F211 HydrophobicContact CD1-CD2 4.26Å; L133-F211 HydrophobicContact CD1-CG 3.9Å; L133-F211 HydrophobicContact CD2-CD1 3.96Å; L133-F211 HydrophobicContact CD2-CD2 3.88Å; L133-F211 HydrophobicContact CD2-CE1 4.04Å; L133-F211 HydrophobicContact CD2-CE2 3.95Å; L133-F211 HydrophobicContact CD2-CG 3.87Å; L133-F211 HydrophobicContact CD2-CZ 4.02Å; L133-F211 HydrophobicContact CG-CB 4.32Å; L133-F211 HydrophobicContact CG-CD1 4.11Å; L133-F211 HydrophobicContact CG-CD2 4.46Å; L133-F211 HydrophobicContact CG-CG 4.03Å
134K84.7Confident90.9Very high83 Ų8350.4 Ų50.436%0.36127%0.273SS..  trans-73.4164.7175.7-62.1178.4175.1177.10110.4I132 E136 E137 L138 D172I132-K134 PolarHBondContact O-N 3.08Å; K134-E136 WeakPolarHBondContact CB-OE2 3.4Å; K134-E136 PolarHBondContact O-N 3.48Å; K134-E136 VanDerWaalsContact O-N 3.12Å; K134-E137 HydrophobicContact CB-CG 4.41Å; K134-E137 PolarHBondContact N-OE2 3.38Å; K134-E137 WeakPolarHBondContact O-CA 3.29Å; K134-E137 WeakPolarHBondContact O-CB 3.38Å; K134-E137 PolarHBondContact O-N 2.99Å; K134-L138 PolarHBondContact O-N 3.23Å; K134-D172 PolarHBondContact NZ-O 3.14Å
135D84.1Confident90.8Very high129 Ų12951.4 Ų51.469%0.6928%0.277SS*.G310 helixtrans-54-35.3-179.7-71.4-1.8000112.8E137 L138D135-E137 PolarHBondContact O-N 2.94Å; D135-L138 HydrophobicContact CB-CD1 4.46Å; D135-L138 PolarHBondContact O-N 3.03Å
136E81.6Confident90.6Very high146 Ų14651.6 Ų51.668%0.68228%0.278SS*.G310 helixtrans-68.2-18.3177-52.784.5-176.400113.2K134K134-E136 WeakPolarHBondContact CB-OE2 3.4Å; K134-E136 PolarHBondContact O-N 3.48Å; K134-E136 VanDerWaalsContact O-N 3.12Å
137E83.5Confident90.5Very high3 Ų352.7 Ų52.71%0.01428%0.284CS..G310 helixtrans-101.4-12.2-176.4-53.3-175.4108.300112.9L133 K134 D135 N139 S140 K168 H173L133-E137 HydrophobicContact CB-CB 4.08Å; L133-E137 HydrophobicContact CD2-CB 4.15Å; K134-E137 HydrophobicContact CB-CG 4.41Å; K134-E137 PolarHBondContact N-OE2 3.38Å; K134-E137 WeakPolarHBondContact O-CA 3.29Å; K134-E137 WeakPolarHBondContact O-CB 3.38Å; K134-E137 PolarHBondContact O-N 2.99Å; D135-E137 PolarHBondContact O-N 2.94Å; E137-N139 PolarHBondContact O-N 3.01Å; E137-N139 VanDerWaalsContact O-N 3.12Å; E137-S140 VanDerWaalsContact O-CB 3.28Å; E137-S140 WeakPolarHBondContact O-CB 3.28Å; E137-S140 PolarHBondContact O-N 3.31Å; E137-K168 VanDerWaalsContact CD-NZ 3.27Å; E137-K168 VanDerWaalsContact OE1-CD 3.25Å; E137-K168 WeakPolarHBondContact OE1-CD 3.07Å; E137-K168 VanDerWaalsContact OE1-CE 3.27Å; E137-K168 WeakPolarHBondContact OE1-CE 3.33Å; E137-K168 IonicContact OE1-NZ 3.88Å; E137-K168 PolarHBondContact OE1-NZ 3.4Å; E137-H173 IonicContact OE1-CE1 3.09Å; E137-H173 IonicContact OE2-CE1 3.77Å; E137-H173 PolarHBondContact OE2-CE1 3.47Å
138L80.6Confident90.3Very high108 Ų10852.9 Ų52.957%0.56529%0.285SS*.THydrogen-bonded Turntrans-60.1-24.3180-67.4177.1000112.9K134 D135K134-L138 PolarHBondContact O-N 3.23Å; D135-L138 HydrophobicContact CB-CD1 4.46Å; D135-L138 PolarHBondContact O-N 3.03Å
139N83.8Confident90.1Very high153 Ų15357.4 Ų57.482%0.81832%0.317SS*.THydrogen-bonded Turntrans-95.4-5.2176.4-61.8-58.4000113.4E137E137-N139 PolarHBondContact O-N 3.01Å; E137-N139 VanDerWaalsContact O-N 3.12Å
140S86.4Confident90Very high38 Ų3855.7 Ų55.727%0.26631%0.314SS..SBendtrans-75150.4176.5-62.40000110.2E137E137-S140 VanDerWaalsContact O-CB 3.28Å; E137-S140 WeakPolarHBondContact O-CB 3.28Å; E137-S140 PolarHBondContact O-N 3.31Å
141P92Very high89.9Confident43 Ų4354.8 Ų54.828%0.27931%0.305SS..  trans-55.5136.7171-28.238.4000111.5L143 H165P141-L143 PolarHBondContact O-N 3.3Å; P141-H165 VanDerWaalsContact CD-CE1 3.45Å; P141-H165 WeakPolarHBondContact CD-CE1 3.48Å; P141-H165 VanDerWaalsContact CG-CE1 3.48Å; P141-H165 WeakPolarHBondContact CG-CE1 3.31Å; P141-H165 WeakPolarHBondContact CG-ND1 3.38Å
142P94.1Very high89.8Confident48 Ų4851.9 Ų51.931%0.31229%0.289SS..SBendtrans-70.3-19.6-175.127.7-35.7000112.9L210 F211 Y223P142-L210 HydrophobicContact CB-CD1 3.98Å; P142-L210 HydrophobicContact CG-CD1 4.09Å; P142-L210 WeakPolarHBondContact O-CA 3.24Å; P142-F211 WeakPolarHBondContact O-CD2 3.23Å; P142-F211 PolarHBondContact O-N 2.9Å; P142-Y223 HydrophobicContact CG-CE1 4.13Å
143L96.6Very high90Very high7 Ų754 Ų544%0.03731%0.312CS..EExtended strand (participates in β ladder)trans-94.9117177.8-172.666.2000109.9P141 L208 L210 Y223 V224 H227P141-L143 PolarHBondContact O-N 3.3Å; L143-L208 HydrophobicContact CD1-CD1 3.62Å; L143-L208 HydrophobicContact CD1-CD2 4.36Å; L143-L208 HydrophobicContact CD1-CG 3.7Å; L143-L208 HydrophobicContact CD2-CD1 4Å; L143-L208 HydrophobicContact CD2-CD2 4.39Å; L143-L208 HydrophobicContact CD2-CG 4.43Å; L143-L208 HydrophobicContact CG-CD1 3.61Å; L143-L208 HydrophobicContact CG-CG 4.19Å; L143-L210 HydrophobicContact CB-CD1 3.94Å; L143-L210 HydrophobicContact CD1-CB 4.11Å; L143-L210 HydrophobicContact CD1-CD1 4.13Å; L143-Y223 HydrophobicContact CB-CE1 3.8Å; L143-Y223 HydrophobicContact CD2-CE1 4.4Å; L143-V224 HydrophobicContact CD1-CG2 4.02Å; L143-H227 HydrophobicContact CD2-CB 3.5Å
144Q95.8Very high90.2Very high7 Ų756.4 Ų56.43%0.03333%0.331CS..EExtended strand (participates in β ladder)trans-129.6156.2-177-62.1-179.913.600110.7H165 L167 N209 F211Q144-H165 CarbonylContact C-O 3.44Å; Q144-H165 WeakPolarHBondContact CA-O 3.06Å; Q144-H165 WeakPolarHBondContact CB-O 3.48Å; Q144-H165 HydrophobicContact CG-CB 4.26Å; Q144-L167 HydrophobicContact CB-CD2 3.62Å; Q144-L167 HydrophobicContact CB-CG 3.86Å; Q144-N209 PolarHBondContact N-O 3.33Å; Q144-N209 PolarHBondContact O-N 2.92Å; Q144-F211 HydrophobicContact CB-CE2 4.34Å; Q144-F211 HydrophobicContact CG-CD2 4.47Å; Q144-F211 HydrophobicContact CG-CE2 4.17Å
145Y96.5Very high90.5Very high21 Ų2154.5 Ų54.58%0.08233%0.325CS..EExtended strand (participates in β ladder)trans-134.6157.7-173.877.5-79.9000114.9L147 L159 W164 H165 P166 L167 L207Y145-L147 HydrophobicContact CD2-CD1 4.25Å; Y145-L147 HydrophobicContact CD2-CD2 3.9Å; Y145-L147 HydrophobicContact CD2-CG 3.69Å; Y145-L147 HydrophobicContact CE2-CD1 3.74Å; Y145-L147 HydrophobicContact CE2-CD2 4.24Å; Y145-L147 HydrophobicContact CE2-CG 3.65Å; Y145-L159 HydrophobicContact CD2-CD1 4.11Å; Y145-L159 HydrophobicContact CE2-CD1 3.72Å; Y145-W164 HydrophobicContact CD1-CB 3.68Å; Y145-W164 HydrophobicContact CD1-CE3 4.04Å; Y145-W164 HydrophobicContact CE1-CB 3.51Å; Y145-W164 HydrophobicContact CG-CE3 4.24Å; Y145-H165 VanDerWaalsContact CD1-O 3.25Å; Y145-H165 WeakPolarHBondContact CD1-O 3.25Å; Y145-H165 PolarHBondContact N-O 3.18Å; Y145-P166 CarbonylContact O-C 3.53Å; Y145-P166 VanDerWaalsContact O-CA 3.27Å; Y145-P166 WeakPolarHBondContact O-CA 3.08Å; Y145-L167 PolarHBondContact O-N 3.02Å; Y145-L207 CarbonylContact C-O 3.38Å; Y145-L207 WeakPolarHBondContact CA-O 3.47Å
146A95.8Very high90.9Very high5 Ų552.4 Ų52.44%0.04131%0.307CS..EExtended strand (participates in β ladder)trans-133.7143.6166.600000110L167 Y182 F194 C206 L207A146-L167 HydrophobicContact CB-CB 4.43Å; A146-L167 HydrophobicContact CB-CD1 3.98Å; A146-Y182 HydrophobicContact CB-CE1 4.07Å; A146-Y182 HydrophobicContact CB-CE2 3.84Å; A146-Y182 VanDerWaalsContact CB-CZ 3.47Å; A146-Y182 VanDerWaalsContact CB-OH 3.3Å; A146-Y182 WeakPolarHBondContact CB-OH 3.43Å; A146-F194 HydrophobicContact CB-CE1 3.79Å; A146-F194 HydrophobicContact CB-CZ 3.76Å; A146-C206 CarbonylContact O-C 3.59Å; A146-C206 WeakPolarHBondContact O-CA 3.19Å; A146-L207 HydrophobicContact CB-CB 4.38Å; A146-L207 PolarHBondContact N-O 2.86Å; A146-L207 PolarHBondContact O-N 2.96Å
147L95.5Very high91.4Very high27 Ų2751.4 Ų51.414%0.14130%0.301CS..EExtended strand (participates in β ladder)trans-119.6145.9-178.8-58.9177.5000111.6Y145 F151 R156 L159 C206Y145-L147 HydrophobicContact CD2-CD1 4.25Å; Y145-L147 HydrophobicContact CD2-CD2 3.9Å; Y145-L147 HydrophobicContact CD2-CG 3.69Å; Y145-L147 HydrophobicContact CE2-CD1 3.74Å; Y145-L147 HydrophobicContact CE2-CD2 4.24Å; Y145-L147 HydrophobicContact CE2-CG 3.65Å; L147-F151 HydrophobicContact CB-CD2 4.1Å; L147-F151 HydrophobicContact CB-CG 4.4Å; L147-F151 HydrophobicContact CD1-CB 4.23Å; L147-F151 HydrophobicContact CD1-CG 4.23Å; L147-F151 HydrophobicContact CD2-CD1 4.29Å; L147-F151 HydrophobicContact CD2-CD2 3.98Å; L147-F151 HydrophobicContact CD2-CE1 4.29Å; L147-F151 HydrophobicContact CD2-CE2 3.99Å; L147-F151 HydrophobicContact CD2-CG 4.13Å; L147-F151 HydrophobicContact CD2-CZ 4.14Å; L147-F151 HydrophobicContact CG-CD2 4.46Å; L147-F151 HydrophobicContact CG-CG 4.49Å; L147-R156 HydrophobicContact CD1-CG 3.95Å; L147-L159 HydrophobicContact CD1-CD1 3.75Å; L147-L159 HydrophobicContact CD2-CD1 4.15Å; L147-L159 HydrophobicContact CG-CD1 4.4Å; L147-C206 HydrophobicContact CD2-CB 3.6Å; L147-C206 VanDerWaalsContact CD2-SG 3.6Å
148S95Very high91.8Very high4 Ų455 Ų553%0.02831%0.314CS..  trans-63.4159.3159.162.20000111.2S150 R156 V205S148-S150 WeakPolarHBondContact CB-OG 3.2Å; S148-S150 PolarHBondContact O-N 3.43Å; S148-S150 PolarHBondContact OG-OG 3.18Å; S148-R156 PolarHBondContact O-NH2 3.43Å; S148-V205 PolarHBondContact N-O 3.17Å; S148-V205 PolarHBondContact OG-N 2.94Å; S148-V205 PolarHBondContact OG-O 3.41Å
149S92.8Very high92.5Very high96 Ų9649.9 Ų49.967%0.67129%0.287SS*.THydrogen-bonded Turntrans-62-28.5174.949.70000112.8F151 R156S149-F151 PolarHBondContact O-N 3.05Å; S149-R156 PolarHBondContact O-NH2 3.21Å
150S92.8Very high92.9Very high40 Ų4047.6 Ų47.628%0.2828%0.275SS..THydrogen-bonded Turntrans-65.7-14.6-177.445.20000115.7S148 C152 E201 I203 S204S148-S150 WeakPolarHBondContact CB-OG 3.2Å; S148-S150 PolarHBondContact O-N 3.43Å; S148-S150 PolarHBondContact OG-OG 3.18Å; S150-C152 PolarHBondContact O-N 3.21Å; S150-E201 VanDerWaalsContact CB-O 3.31Å; S150-E201 WeakPolarHBondContact CB-O 3.3Å; S150-I203 PolarHBondContact OG-O 2.99Å; S150-S204 PolarHBondContact O-OG 3.24Å; S150-S204 WeakPolarHBondContact OG-CA 3.25Å
151F92.3Very high93.3Very high8 Ų851.2 Ų51.24%0.03529%0.288CS..SBendtrans-62.5131.6172.6-91.6-94.7000112.4T121 L147 S149 D155 R156 S204 V205 C206 W231T121-F151 HydrophobicContact CG2-CE1 4.19Å; T121-F151 HydrophobicContact CG2-CZ 4.25Å; L147-F151 HydrophobicContact CB-CD2 4.1Å; L147-F151 HydrophobicContact CB-CG 4.4Å; L147-F151 HydrophobicContact CD1-CB 4.23Å; L147-F151 HydrophobicContact CD1-CG 4.23Å; L147-F151 HydrophobicContact CD2-CD1 4.29Å; L147-F151 HydrophobicContact CD2-CD2 3.98Å; L147-F151 HydrophobicContact CD2-CE1 4.29Å; L147-F151 HydrophobicContact CD2-CE2 3.99Å; L147-F151 HydrophobicContact CD2-CG 4.13Å; L147-F151 HydrophobicContact CD2-CZ 4.14Å; L147-F151 HydrophobicContact CG-CD2 4.46Å; L147-F151 HydrophobicContact CG-CG 4.49Å; S149-F151 PolarHBondContact O-N 3.05Å; F151-D155 HydrophobicContact CD1-CB 3.79Å; F151-D155 HydrophobicContact CE1-CB 4.47Å; F151-R156 PolarHBondContact O-NE 3.36Å; F151-R156 VanDerWaalsContact O-NE 3.16Å; F151-R156 PolarHBondContact O-NH2 3.46Å; F151-S204 VanDerWaalsContact CE2-C 3.45Å; F151-V205 VanDerWaalsContact CE2-O 3.31Å; F151-V205 WeakPolarHBondContact CE2-O 3.49Å; F151-C206 HydrophobicContact CE2-CB 4.11Å; F151-C206 HydrophobicContact CZ-CB 3.83Å; F151-W231 HydrophobicContact CE1-CH2 4.18Å; F151-W231 AromaticContact CE1-CZ2 3.91Å; F151-W231 HydrophobicContact CE1-CZ2 3.91Å; F151-W231 HydrophobicContact CZ-CH2 4.42Å
152C89.1Confident93.4Very high59 Ų5951.5 Ų51.540%0.39929%0.287SS..  trans-71.2159.3-178.876.70000112.4S150 S154 D155 R156S150-C152 PolarHBondContact O-N 3.21Å; C152-S154 VanDerWaalsContact C-N 3.28Å; C152-S154 PolarHBondContact O-N 3.27Å; C152-S154 PolarHBondContact SG-OG 3.3Å; C152-D155 PolarHBondContact O-N 3.49Å; C152-D155 PolarHBondContact SG-OD2 3.42Å; C152-R156 PolarHBondContact O-N 3.28Å
153A91.6Very high93.3Very high82 Ų8251.2 Ų51.268%0.67829%0.293SS*.Hα-helixtrans-62-32.3-175.800000113.5R156 K157A153-R156 PolarHBondContact O-N 3.02Å; A153-K157 WeakPolarHBondContact O-CB 3.27Å; A153-K157 PolarHBondContact O-N 3.35Å
154S90.4Very high93.1Very high78 Ų7851.8 Ų51.855%0.54530%0.295SS..Hα-helixtrans-68.7-37.3177.549.10000112.7C152 K157 R158C152-S154 VanDerWaalsContact C-N 3.28Å; C152-S154 PolarHBondContact O-N 3.27Å; C152-S154 PolarHBondContact SG-OG 3.3Å; S154-K157 PolarHBondContact O-N 2.61Å; S154-R158 WeakPolarHBondContact O-CB 3.48Å; S154-R158 PolarHBondContact O-N 3.06Å
155D89.7Confident93Very high42 Ų4255.1 Ų55.123%0.22531%0.31CS..Hα-helixtrans-66.4-42.1176.7-66.6-31.8000110.8F151 C152 R158 L159F151-D155 HydrophobicContact CD1-CB 3.79Å; F151-D155 HydrophobicContact CE1-CB 4.47Å; C152-D155 PolarHBondContact O-N 3.49Å; C152-D155 PolarHBondContact SG-OD2 3.42Å; D155-R158 PolarHBondContact O-N 2.99Å; D155-L159 WeakPolarHBondContact O-CG 3.31Å; D155-L159 PolarHBondContact O-N 2.81Å; D155-L159 VanDerWaalsContact O-N 3.14Å
156R92.4Very high92.8Very high85 Ų8558.2 Ų58.232%0.32133%0.333SS..Hα-helixtrans-61.5-49175.3-64.7178.4-170.9-81.9-2.6111.6L147 S148 S149 F151 C152 A153 R158 L159 D160L147-R156 HydrophobicContact CD1-CG 3.95Å; S148-R156 PolarHBondContact O-NH2 3.43Å; S149-R156 PolarHBondContact O-NH2 3.21Å; F151-R156 PolarHBondContact O-NE 3.36Å; F151-R156 VanDerWaalsContact O-NE 3.16Å; F151-R156 PolarHBondContact O-NH2 3.46Å; C152-R156 PolarHBondContact O-N 3.28Å; A153-R156 PolarHBondContact O-N 3.02Å; R156-R158 PolarHBondContact O-N 3.3Å; R156-L159 WeakPolarHBondContact O-CB 3.4Å; R156-L159 PolarHBondContact O-N 3.18Å; R156-L159 VanDerWaalsContact O-N 3.07Å; R156-D160 PolarHBondContact O-N 3.48Å
157K93.6Very high92.6Very high125 Ų12558.6 Ų58.654%0.54333%0.334SS..Hα-helixtrans-57-39.8177-171.4-170.9-179.8-142.20111.7A153 S154 D160 E161A153-K157 WeakPolarHBondContact O-CB 3.27Å; A153-K157 PolarHBondContact O-N 3.35Å; S154-K157 PolarHBondContact O-N 2.61Å; K157-D160 PolarHBondContact O-N 2.78Å; K157-E161 WeakPolarHBondContact CE-OE1 3.2Å; K157-E161 IonicContact NZ-OE1 3.47Å; K157-E161 PolarHBondContact NZ-OE1 3.03Å; K157-E161 WeakPolarHBondContact O-CB 3.49Å; K157-E161 WeakPolarHBondContact O-CG 3.28Å; K157-E161 PolarHBondContact O-N 2.83Å
158R92.3Very high92.2Very high79 Ų7961.3 Ų61.330%0.29834%0.344SS..Hα-helixtrans-64.1-40.4177.9-178.558.5177.71686.1112.1S154 D155 R156 E161 L162 S230S154-R158 WeakPolarHBondContact O-CB 3.48Å; S154-R158 PolarHBondContact O-N 3.06Å; D155-R158 PolarHBondContact O-N 2.99Å; R156-R158 PolarHBondContact O-N 3.3Å; R158-E161 IonicContact NH1-OE2 2.9Å; R158-E161 PolarHBondContact O-N 3.33Å; R158-L162 HydrophobicContact CG-CD1 4.16Å; R158-L162 VanDerWaalsContact O-CG 3.22Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 2.93Å; R158-S230 PolarHBondContact NH2-O 2.85Å
159L93.6Very high91.5Very high0 Ų063.5 Ų63.50%036%0.358CS..Hα-helixtrans-65.6-39.6176-67.4168.2000111.7Y145 L147 D155 R156 L162 G163 W164 W231Y145-L159 HydrophobicContact CD2-CD1 4.11Å; Y145-L159 HydrophobicContact CE2-CD1 3.72Å; L147-L159 HydrophobicContact CD1-CD1 3.75Å; L147-L159 HydrophobicContact CD2-CD1 4.15Å; L147-L159 HydrophobicContact CG-CD1 4.4Å; D155-L159 WeakPolarHBondContact O-CG 3.31Å; D155-L159 PolarHBondContact O-N 2.81Å; D155-L159 VanDerWaalsContact O-N 3.14Å; R156-L159 WeakPolarHBondContact O-CB 3.4Å; R156-L159 PolarHBondContact O-N 3.18Å; R156-L159 VanDerWaalsContact O-N 3.07Å; L159-L162 PolarHBondContact O-N 3.3Å; L159-G163 PolarHBondContact O-N 3.47Å; L159-W164 HydrophobicContact CD2-CD2 3.66Å; L159-W164 HydrophobicContact CD2-CE3 3.34Å; L159-W164 HydrophobicContact CD2-CG 4.22Å; L159-W164 HydrophobicContact CD2-CH2 4.26Å; L159-W164 HydrophobicContact CD2-CZ3 3.66Å; L159-W164 PolarHBondContact O-N 2.89Å; L159-W164 VanDerWaalsContact O-N 3.16Å; L159-W231 HydrophobicContact CD1-CZ2 4.21Å; L159-W231 HydrophobicContact CD2-CD2 3.81Å; L159-W231 HydrophobicContact CD2-CE3 4.35Å; L159-W231 HydrophobicContact CD2-CG 3.97Å; L159-W231 HydrophobicContact CD2-CZ2 4.29Å
160D92.6Very high90.3Very high106 Ų10660.1 Ų60.157%0.56733%0.33SS*.Hα-helixtrans-62.9-45.2174-60.8-28.8000111.4R156 K157 L162 G163R156-D160 PolarHBondContact O-N 3.48Å; K157-D160 PolarHBondContact O-N 2.78Å; D160-L162 PolarHBondContact O-N 2.73Å; D160-G163 PolarHBondContact O-N 3.04Å
161E94.7Very high88.9Confident113 Ų11363.9 Ų63.953%0.52835%0.352SS..Hα-helixtrans-62.2-29176-74.9172.4-175.700112.7K157 R158 G163K157-E161 WeakPolarHBondContact CE-OE1 3.2Å; K157-E161 IonicContact NZ-OE1 3.47Å; K157-E161 PolarHBondContact NZ-OE1 3.03Å; K157-E161 WeakPolarHBondContact O-CB 3.49Å; K157-E161 WeakPolarHBondContact O-CG 3.28Å; K157-E161 PolarHBondContact O-N 2.83Å; R158-E161 IonicContact NH1-OE2 2.9Å; R158-E161 PolarHBondContact O-N 3.33Å; E161-G163 VanDerWaalsContact C-N 3.3Å
162L94.2Very high87.3Confident49 Ų4967.2 Ų67.226%0.25737%0.37SS..THydrogen-bonded Turntrans-83-5175.1-69.6169.3000113.2R158 L159 D160 W164 W231R158-L162 HydrophobicContact CG-CD1 4.16Å; R158-L162 VanDerWaalsContact O-CG 3.22Å; R158-L162 WeakPolarHBondContact O-CG 3.36Å; R158-L162 PolarHBondContact O-N 2.93Å; L159-L162 PolarHBondContact O-N 3.3Å; D160-L162 PolarHBondContact O-N 2.73Å; L162-W164 VanDerWaalsContact C-N 3.29Å; L162-W164 HydrophobicContact CB-CG 4.4Å; L162-W164 PolarHBondContact O-N 3.3Å; L162-W231 HydrophobicContact CD1-CB 3.86Å; L162-W231 HydrophobicContact CD1-CG 4.45Å
163G92Very high85.6Confident43 Ų4366.2 Ų66.244%0.44336%0.36SS..THydrogen-bonded Turntrans67.526.8-179.200000113.7L159 D160 E161 H165L159-G163 PolarHBondContact O-N 3.47Å; D160-G163 PolarHBondContact O-N 3.04Å; E161-G163 VanDerWaalsContact C-N 3.3Å; G163-H165 PolarHBondContact O-CE1 3.17Å; G163-H165 VanDerWaalsContact O-CE1 3.31Å; G163-H165 PolarHBondContact O-ND1 2.92Å
164W93.6Very high83.8Confident19 Ų1966.5 Ų66.57%0.07235%0.349CS..PPolyproline II helixtrans-70.9142.6177.2-75.127.2000110.5Y145 L159 L162 L208 H227 W231Y145-W164 HydrophobicContact CD1-CB 3.68Å; Y145-W164 HydrophobicContact CD1-CE3 4.04Å; Y145-W164 HydrophobicContact CE1-CB 3.51Å; Y145-W164 HydrophobicContact CG-CE3 4.24Å; L159-W164 HydrophobicContact CD2-CD2 3.66Å; L159-W164 HydrophobicContact CD2-CE3 3.34Å; L159-W164 HydrophobicContact CD2-CG 4.22Å; L159-W164 HydrophobicContact CD2-CH2 4.26Å; L159-W164 HydrophobicContact CD2-CZ3 3.66Å; L159-W164 PolarHBondContact O-N 2.89Å; L159-W164 VanDerWaalsContact O-N 3.16Å; L162-W164 VanDerWaalsContact C-N 3.29Å; L162-W164 HydrophobicContact CB-CG 4.4Å; L162-W164 PolarHBondContact O-N 3.3Å; W164-L208 HydrophobicContact CE3-CD1 3.91Å; W164-L208 HydrophobicContact CH2-CD1 4.15Å; W164-L208 HydrophobicContact CH2-CD2 3.9Å; W164-L208 HydrophobicContact CZ3-CD1 3.46Å; W164-L208 VanDerWaalsContact CZ3-CD1 3.46Å; W164-L208 HydrophobicContact CZ3-CD2 3.92Å; W164-L208 HydrophobicContact CZ3-CG 4.33Å; W164-H227 HydrophobicContact CH2-CB 4.44Å; W164-H227 HydrophobicContact CZ2-CB 3.68Å; W164-H227 WeakPolarHBondContact CZ2-O 3.45Å; W164-H227 AromaticContact NE1-CD2 3.65Å; W164-W231 HydrophobicContact CH2-CB 4.06Å; W164-W231 HydrophobicContact CH2-CD2 4.18Å; W164-W231 AromaticContact CH2-CE3 3.62Å; W164-W231 HydrophobicContact CH2-CE3 3.62Å; W164-W231 HydrophobicContact CH2-CG 4.4Å; W164-W231 HydrophobicContact CH2-CZ3 4.39Å; W164-W231 HydrophobicContact CZ2-CB 3.94Å; W164-W231 HydrophobicContact CZ3-CD2 4.44Å; W164-W231 AromaticContact CZ3-CE3 3.85Å; W164-W231 HydrophobicContact CZ3-CE3 3.85Å; W164-W231 HydrophobicContact CZ3-CZ3 4.24Å
165H92.1Very high82.2Confident77 Ų7771.4 Ų71.436%0.35637%0.37SS..EExtended strand (participates in β ladder)trans-100130.6-176.1-70.960.8000110.6P141 Q144 Y145 G163P141-H165 VanDerWaalsContact CD-CE1 3.45Å; P141-H165 WeakPolarHBondContact CD-CE1 3.48Å; P141-H165 VanDerWaalsContact CG-CE1 3.48Å; P141-H165 WeakPolarHBondContact CG-CE1 3.31Å; P141-H165 WeakPolarHBondContact CG-ND1 3.38Å; Q144-H165 CarbonylContact C-O 3.44Å; Q144-H165 WeakPolarHBondContact CA-O 3.06Å; Q144-H165 WeakPolarHBondContact CB-O 3.48Å; Q144-H165 HydrophobicContact CG-CB 4.26Å; Y145-H165 VanDerWaalsContact CD1-O 3.25Å; Y145-H165 WeakPolarHBondContact CD1-O 3.25Å; Y145-H165 PolarHBondContact N-O 3.18Å; G163-H165 PolarHBondContact O-CE1 3.17Å; G163-H165 VanDerWaalsContact O-CE1 3.31Å; G163-H165 PolarHBondContact O-ND1 2.92Å
166P92.8Very high80.3Confident86 Ų8673.7 Ų73.756%0.55839%0.388SS*.EExtended strand (participates in β ladder)trans-69.3145.6175.529.1-34000110.8Y145Y145-P166 CarbonylContact O-C 3.53Å; Y145-P166 VanDerWaalsContact O-CA 3.27Å; Y145-P166 WeakPolarHBondContact O-CA 3.08Å
167L92.5Very high78.2Confident13 Ų1379.9 Ų79.97%0.06842%0.417CS..PPolyproline II helixtrans-62.7135.1169.8-77.6167.2000110Q144 Y145 A146 Y182 L184 L207 N209 F211Q144-L167 HydrophobicContact CB-CD2 3.62Å; Q144-L167 HydrophobicContact CB-CG 3.86Å; Y145-L167 PolarHBondContact O-N 3.02Å; A146-L167 HydrophobicContact CB-CB 4.43Å; A146-L167 HydrophobicContact CB-CD1 3.98Å; L167-Y182 HydrophobicContact CB-CD1 3.62Å; L167-Y182 HydrophobicContact CB-CE1 3.55Å; L167-Y182 HydrophobicContact CD1-CD1 4.32Å; L167-L184 HydrophobicContact CD1-CD1 4.19Å; L167-L184 HydrophobicContact CD2-CD2 4.07Å; L167-L207 HydrophobicContact CD1-CD2 3.91Å; L167-L207 HydrophobicContact CD1-CG 4.13Å; L167-N209 HydrophobicContact CD1-CB 4.36Å; L167-N209 HydrophobicContact CD2-CB 4.37Å; L167-F211 HydrophobicContact CD2-CE2 4.04Å; L167-F211 HydrophobicContact CD2-CZ 4.09Å
168K86.3Confident76.3Confident83 Ų8377.9 Ų77.936%0.36141%0.412SS..PPolyproline II helixtrans-74.3143.8171.4-70.5-171.9-167.8157.20111.5E137 D172 H173 Y182E137-K168 VanDerWaalsContact CD-NZ 3.27Å; E137-K168 VanDerWaalsContact OE1-CD 3.25Å; E137-K168 WeakPolarHBondContact OE1-CD 3.07Å; E137-K168 VanDerWaalsContact OE1-CE 3.27Å; E137-K168 WeakPolarHBondContact OE1-CE 3.33Å; E137-K168 IonicContact OE1-NZ 3.88Å; E137-K168 PolarHBondContact OE1-NZ 3.4Å; K168-D172 HydrophobicContact CB-CB 4.22Å; K168-D172 HydrophobicContact CD-CB 4.32Å; K168-H173 WeakPolarHBondContact CB-NE2 3.5Å; K168-Y182 VanDerWaalsContact O-CD1 3.31Å; K168-Y182 WeakPolarHBondContact O-CD1 3.43Å
169T81.4Confident74.8Confident50 Ų5078.1 Ų78.131%0.30743%0.426SS..PPolyproline II helixtrans-83.6160.7-179.157.70000110.8T171 D172 H173 V181 Y182T169-T171 PolarHBondContact O-N 2.92Å; T169-T171 VanDerWaalsContact O-N 3.07Å; T169-T171 PolarHBondContact OG1-OG1 2.96Å; T169-T171 VanDerWaalsContact OG1-OG1 3.07Å; T169-D172 PolarHBondContact N-OD2 3.12Å; T169-D172 VanDerWaalsContact O-CB 3.28Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.43Å; T169-D172 PolarHBondContact OG1-OD2 3.25Å; T169-H173 PolarHBondContact O-CD2 2.78Å; T169-V181 HydrophobicContact CG2-CG1 4.29Å; T169-Y182 HydrophobicContact CG2-CE1 4.07Å
170Y66.8Low73.3Confident25 Ų2579.3 Ų79.310%0.09843%0.433CS..G310 helixtrans-51.2-34.4-179.2178.2-91.1000114.5D172 H173 L174 C176 L178 V181Y170-D172 PolarHBondContact O-N 3.46Å; Y170-H173 PolarHBondContact O-N 2.99Å; Y170-L174 VanDerWaalsContact CE1-O 3.28Å; Y170-L174 WeakPolarHBondContact CE1-O 3.22Å; Y170-L174 HydrophobicContact CE2-CB 4Å; Y170-L174 HydrophobicContact CE2-CD1 4.34Å; Y170-L174 VanDerWaalsContact OH-CB 3.31Å; Y170-L174 WeakPolarHBondContact OH-CB 3.38Å; Y170-L174 PolarHBondContact OH-O 3.12Å; Y170-C176 WeakPolarHBondContact CE1-O 3.49Å; Y170-C176 VanDerWaalsContact OH-CA 3.27Å; Y170-C176 WeakPolarHBondContact OH-CA 3.32Å; Y170-C176 VanDerWaalsContact OH-CB 3.26Å; Y170-C176 WeakPolarHBondContact OH-CB 3.43Å; Y170-C176 PolarHBondContact OH-N 2.88Å; Y170-C176 VanDerWaalsContact OH-N 3.09Å; Y170-C176 PolarHBondContact OH-O 3.34Å; Y170-L178 HydrophobicContact CD2-CB 4.15Å; Y170-L178 HydrophobicContact CD2-CD1 3.92Å; Y170-L178 HydrophobicContact CD2-CG 4.32Å; Y170-L178 HydrophobicContact CE2-CB 3.88Å; Y170-L178 HydrophobicContact CE2-CD1 3.39Å; Y170-L178 HydrophobicContact CE2-CG 3.64Å; Y170-V181 WeakPolarHBondContact CB-O 3.49Å; Y170-V181 PolarHBondContact N-O 3.17Å
171T63.4Low72.7Confident120 Ų12077.2 Ų77.274%0.73642%0.424SS*.G310 helixtrans-58.3-14177.347.10000113.5T169T169-T171 PolarHBondContact O-N 2.92Å; T169-T171 VanDerWaalsContact O-N 3.07Å; T169-T171 PolarHBondContact OG1-OG1 2.96Å; T169-T171 VanDerWaalsContact OG1-OG1 3.07Å
172D59.4Low72.4Confident78 Ų7873.3 Ų73.342%0.41740%0.404SS..G310 helixtrans-92.6-11.3179.7-51.3-39.9000113K134 K168 T169 Y170K134-D172 PolarHBondContact NZ-O 3.14Å; K168-D172 HydrophobicContact CB-CB 4.22Å; K168-D172 HydrophobicContact CD-CB 4.32Å; T169-D172 PolarHBondContact N-OD2 3.12Å; T169-D172 VanDerWaalsContact O-CB 3.28Å; T169-D172 WeakPolarHBondContact O-CB 3.44Å; T169-D172 PolarHBondContact O-N 3.43Å; T169-D172 PolarHBondContact OG1-OD2 3.25Å; Y170-D172 PolarHBondContact O-N 3.46Å
173H52.8Low72.1Confident37 Ų3775.1 Ų75.117%0.17141%0.409CS..THydrogen-bonded Turntrans-114.2-41.4-167.5-66-80.4000116.1E137 K168 T169 Y170E137-H173 IonicContact OE1-CE1 3.09Å; E137-H173 IonicContact OE2-CE1 3.77Å; E137-H173 PolarHBondContact OE2-CE1 3.47Å; K168-H173 WeakPolarHBondContact CB-NE2 3.5Å; T169-H173 PolarHBondContact O-CD2 2.78Å; Y170-H173 PolarHBondContact O-N 2.99Å
174L53.7Low72.2Confident89 Ų8973.7 Ų73.747%0.46639%0.391SS..  trans-153.2147.3-170.6-75.4157.6000113.6Y170 C176Y170-L174 VanDerWaalsContact CE1-O 3.28Å; Y170-L174 WeakPolarHBondContact CE1-O 3.22Å; Y170-L174 HydrophobicContact CE2-CB 4Å; Y170-L174 HydrophobicContact CE2-CD1 4.34Å; Y170-L174 VanDerWaalsContact OH-CB 3.31Å; Y170-L174 WeakPolarHBondContact OH-CB 3.38Å; Y170-L174 PolarHBondContact OH-O 3.12Å; L174-C176 VanDerWaalsContact C-N 3.27Å; L174-C176 PolarHBondContact O-N 2.92Å
175D55.6Low72.2Confident181 Ų18174.5 Ų74.597%0.96840%0.398SS*.SBendtrans-78.717.6178.2-83.1-28.1000115.6
176C50Low72.3Confident90 Ų9072.1 Ų72.161%0.60840%0.395SS*.SBendtrans-103.4165.5-178-72.70000112.1Y170 L174Y170-C176 WeakPolarHBondContact CE1-O 3.49Å; Y170-C176 VanDerWaalsContact OH-CA 3.27Å; Y170-C176 WeakPolarHBondContact OH-CA 3.32Å; Y170-C176 VanDerWaalsContact OH-CB 3.26Å; Y170-C176 WeakPolarHBondContact OH-CB 3.43Å; Y170-C176 PolarHBondContact OH-N 2.88Å; Y170-C176 VanDerWaalsContact OH-N 3.09Å; Y170-C176 PolarHBondContact OH-O 3.34Å; L174-C176 VanDerWaalsContact C-N 3.27Å; L174-C176 PolarHBondContact O-N 2.92Å
177K50Low72.5Confident215 Ų21568.5 Ų68.594%0.93537%0.371SS*.  trans-9692.8172-73.7-176.7179.2179.60109.8
178L52.6Low72.7Confident82 Ų8268.9 Ų68.943%0.42938%0.378SS..  trans-84.1153.2167.4-71-176.2000111.2Y170 V180 Y183Y170-L178 HydrophobicContact CD2-CB 4.15Å; Y170-L178 HydrophobicContact CD2-CD1 3.92Å; Y170-L178 HydrophobicContact CD2-CG 4.32Å; Y170-L178 HydrophobicContact CE2-CB 3.88Å; Y170-L178 HydrophobicContact CE2-CD1 3.39Å; Y170-L178 HydrophobicContact CE2-CG 3.64Å; L178-V180 HydrophobicContact CB-CG2 4.16Å; L178-V180 PolarHBondContact O-N 2.97Å; L178-Y183 HydrophobicContact CD1-CD2 3.62Å; L178-Y183 HydrophobicContact CD1-CE2 4.03Å
179S60Low73.2Confident85 Ų8565.2 Ų65.259%0.59436%0.363SS*.SBendtrans-8214.6178.3760000113.7
180V64Low74Confident24 Ų2462.9 Ų62.915%0.14535%0.348CS..  trans-131.1144.5-173-66.70000111.4L178 Y192 E195L178-V180 HydrophobicContact CB-CG2 4.16Å; L178-V180 PolarHBondContact O-N 2.97Å; V180-Y192 HydrophobicContact CG1-CD1 4.05Å; V180-Y192 HydrophobicContact CG1-CE1 3.67Å; V180-E195 VanDerWaalsContact C-OE1 3.31Å; V180-E195 WeakPolarHBondContact CA-OE1 3.5Å; V180-E195 WeakPolarHBondContact CB-OE1 3.34Å; V180-E195 WeakPolarHBondContact CG1-OE1 3.35Å
181V79.4Confident75.3Confident63 Ų6362 Ų6238%0.38235%0.346SS..SBendtrans-72.9-35.2-178.7-178.70000111.1T169 Y170 E195T169-V181 HydrophobicContact CG2-CG1 4.29Å; Y170-V181 WeakPolarHBondContact CB-O 3.49Å; Y170-V181 PolarHBondContact N-O 3.17Å; V181-E195 HydrophobicContact CG2-CG 4.18Å; V181-E195 PolarHBondContact N-OE1 3.01Å
182Y87.2Confident76.8Confident30 Ų3059.8 Ų59.812%0.11832%0.324CS..SBendtrans-121.2129.9-179-58.4-82000110.7A146 L167 K168 T169 L184 F194A146-Y182 HydrophobicContact CB-CE1 4.07Å; A146-Y182 HydrophobicContact CB-CE2 3.84Å; A146-Y182 VanDerWaalsContact CB-CZ 3.47Å; A146-Y182 VanDerWaalsContact CB-OH 3.3Å; A146-Y182 WeakPolarHBondContact CB-OH 3.43Å; L167-Y182 HydrophobicContact CB-CD1 3.62Å; L167-Y182 HydrophobicContact CB-CE1 3.55Å; L167-Y182 HydrophobicContact CD1-CD1 4.32Å; K168-Y182 VanDerWaalsContact O-CD1 3.31Å; K168-Y182 WeakPolarHBondContact O-CD1 3.43Å; T169-Y182 HydrophobicContact CG2-CE1 4.07Å; Y182-L184 PolarHBondContact O-N 2.92Å; Y182-F194 HydrophobicContact CD2-CD1 4.33Å; Y182-F194 HydrophobicContact CD2-CE1 4.43Å; Y182-F194 HydrophobicContact CE2-CD1 4.06Å; Y182-F194 AromaticContact CE2-CE1 3.72Å; Y182-F194 HydrophobicContact CE2-CE1 3.72Å
183Y89Confident78.6Confident88 Ų8856.1 Ų56.135%0.34530%0.304SS..  trans-87.395.2174.6-176.5-110.9000110.4I132 L178 P185I132-Y183 HydrophobicContact CD1-CD1 4.32Å; I132-Y183 WeakPolarHBondContact CD1-O 3.47Å; I132-Y183 HydrophobicContact CG2-CE1 4.4Å; L178-Y183 HydrophobicContact CD1-CD2 3.62Å; L178-Y183 HydrophobicContact CD1-CE2 4.03Å; Y183-P185 HydrophobicContact CD1-CG 4.49Å; Y183-P185 HydrophobicContact CE1-CG 3.91Å
184L93.8Very high80.7Confident13 Ų1354.4 Ų54.47%0.06830%0.297CS..  trans-126.971.6-173.9-67.5-179.3000111.2S128 L167 Y182 G186 C187 L207 N209 F211S128-L184 WeakPolarHBondContact OG-CB 3.39Å; L167-L184 HydrophobicContact CD1-CD1 4.19Å; L167-L184 HydrophobicContact CD2-CD2 4.07Å; Y182-L184 PolarHBondContact O-N 2.92Å; L184-G186 PolarHBondContact O-N 3.24Å; L184-C187 HydrophobicContact CB-CB 4Å; L184-C187 WeakPolarHBondContact O-CB 3.35Å; L184-C187 PolarHBondContact O-N 3.31Å; L184-C187 PolarHBondContact O-SG 3.23Å; L184-L207 HydrophobicContact CD1-CD2 3.85Å; L184-N209 HydrophobicContact CD1-CB 4.3Å; L184-F211 HydrophobicContact CD2-CE1 3.82Å; L184-F211 HydrophobicContact CD2-CZ 3.6Å
185P93.1Very high82.6Confident36 Ų3651.7 Ų51.723%0.23428%0.281CS..THydrogen-bonded Turntrans-62.5136.2175.625.8-33.1000111.1S128 F129 I132 Y183S128-P185 VanDerWaalsContact CA-O 3.32Å; S128-P185 WeakPolarHBondContact CA-O 3.45Å; S128-P185 VanDerWaalsContact CB-O 3.31Å; S128-P185 WeakPolarHBondContact CB-O 3.31Å; F129-P185 HydrophobicContact CD2-CB 4.29Å; F129-P185 WeakPolarHBondContact CD2-O 3.39Å; F129-P185 PolarHBondContact N-O 3.02Å; I132-P185 HydrophobicContact CD1-CG 3.97Å; I132-P185 HydrophobicContact CG2-CG 3.41Å; I132-P185 VanDerWaalsContact CG2-CG 3.41Å; Y183-P185 HydrophobicContact CD1-CG 4.49Å; Y183-P185 HydrophobicContact CE1-CG 3.91Å
186G95.5Very high84.5Confident27 Ų2745.5 Ų45.528%0.27825%0.247SC..THydrogen-bonded Turntrans94.5-15-175.700000114.6G28 V29 S127 L184 G188G28-G186 CarbonylContact C-O 3.45Å; G28-G186 WeakPolarHBondContact CA-O 3.41Å; V29-G186 PolarHBondContact N-O 2.74Å; S127-G186 CarbonylContact O-C 3.58Å; L184-G186 PolarHBondContact O-N 3.24Å; G186-G188 PolarHBondContact O-N 3.42Å
187C96.4Very high86.8Confident9 Ų941.2 Ų41.26%0.06122%0.218CC..  trans-71.78.1-176.879.20000116.4S127 L184 I189 A190 S191S127-C187 WeakPolarHBondContact O-CA 3.34Å; S127-C187 PolarHBondContact O-N 3.44Å; L184-C187 HydrophobicContact CB-CB 4Å; L184-C187 WeakPolarHBondContact O-CB 3.35Å; L184-C187 PolarHBondContact O-N 3.31Å; L184-C187 PolarHBondContact O-SG 3.23Å; C187-I189 PolarHBondContact O-N 3.33Å; C187-A190 HydrophobicContact CB-CB 4.08Å; C187-A190 WeakPolarHBondContact O-CB 3.29Å; C187-A190 PolarHBondContact O-N 3.05Å; C187-S191 PolarHBondContact SG-OG 3.16Å
188G96Very high88.9Confident21 Ų2134 Ų3422%0.21619%0.189CC..THydrogen-bonded Turntrans64.5-103.2-179.900000113.3V27 K103 G186V27-G188 WeakPolarHBondContact O-CA 3.31Å; K103-G188 PolarHBondContact NZ-O 2.91Å; G186-G188 PolarHBondContact O-N 3.42Å
189I96.9Very high90.9Very high7 Ų736.7 Ų36.74%0.03620%0.197CC..THydrogen-bonded Turntrans-110.8-4.317762.1140.9000113.6P98 K103 V107 L110 C187 S191 Y192 L193P98-I189 HydrophobicContact CG-CG2 3.76Å; K103-I189 HydrophobicContact CB-CG2 4.09Å; K103-I189 HydrophobicContact CD-CG2 4.34Å; K103-I189 HydrophobicContact CG-CG2 4.03Å; V107-I189 HydrophobicContact CG2-CB 4.17Å; V107-I189 HydrophobicContact CG2-CD1 4.3Å; L110-I189 HydrophobicContact CD1-CD1 3.57Å; C187-I189 PolarHBondContact O-N 3.33Å; I189-S191 PolarHBondContact O-N 2.97Å; I189-Y192 PolarHBondContact O-N 3.34Å; I189-Y192 VanDerWaalsContact O-N 3.1Å; I189-L193 HydrophobicContact CD1-CB 4.23Å; I189-L193 HydrophobicContact CD1-CD2 4Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 3.01Å
190A97.6Very high92.6Very high0 Ų034.3 Ų34.30%018%0.177CC..Hα-helixtrans-58-46.8-16600000112.9C26 C187 Y192 L193 F194 L207C26-A190 HydrophobicContact CB-CB 3.83Å; C187-A190 HydrophobicContact CB-CB 4.08Å; C187-A190 WeakPolarHBondContact O-CB 3.29Å; C187-A190 PolarHBondContact O-N 3.05Å; A190-Y192 PolarHBondContact O-N 2.79Å; A190-L193 PolarHBondContact O-N 3.27Å; A190-F194 WeakPolarHBondContact O-CB 3.33Å; A190-F194 PolarHBondContact O-N 3.3Å; A190-L207 HydrophobicContact CB-CD1 3.87Å
191S94.9Very high93.9Very high7 Ų740.6 Ų40.65%0.04921%0.205CC..Hα-helixtrans-61-43.8176.9-590000112.6C187 I189 F194 E195C187-S191 PolarHBondContact SG-OG 3.16Å; I189-S191 PolarHBondContact O-N 2.97Å; S191-F194 PolarHBondContact O-N 3.35Å; S191-E195 WeakPolarHBondContact O-CB 3.46Å; S191-E195 VanDerWaalsContact O-CG 3.31Å; S191-E195 WeakPolarHBondContact O-CG 3.4Å; S191-E195 PolarHBondContact O-N 2.97Å
192Y94.9Very high94.5Very high74 Ų7443.5 Ų43.529%0.2921%0.214SC..Hα-helixtrans-66.4-38.7178.5-61.3-53.6000112.1K103 V180 I189 A190 E196K103-Y192 HydrophobicContact CD-CE2 4.18Å; V180-Y192 HydrophobicContact CG1-CD1 4.05Å; V180-Y192 HydrophobicContact CG1-CE1 3.67Å; I189-Y192 PolarHBondContact O-N 3.34Å; I189-Y192 VanDerWaalsContact O-N 3.1Å; A190-Y192 PolarHBondContact O-N 2.79Å; Y192-E196 WeakPolarHBondContact O-CB 3.33Å; Y192-E196 PolarHBondContact O-N 3.01Å
193L97.4Very high94.8Very high0 Ų042.6 Ų42.60%021%0.211CC..Hα-helixtrans-67.5-44.6177.2-179.856.7000111V107 L110 V111 L124 I189 A190 E196 L197V107-L193 HydrophobicContact CG1-CD1 4.22Å; V107-L193 HydrophobicContact CG2-CB 4.23Å; L110-L193 HydrophobicContact CB-CD1 4.12Å; L110-L193 HydrophobicContact CD1-CD2 4.07Å; V111-L193 HydrophobicContact CG2-CD1 3.76Å; L124-L193 HydrophobicContact CD1-CB 4.16Å; L124-L193 HydrophobicContact CD1-CD2 4.05Å; L124-L193 HydrophobicContact CD1-CG 3.84Å; L124-L193 HydrophobicContact CD2-CD2 3.62Å; L124-L193 HydrophobicContact CD2-CG 4.18Å; L124-L193 HydrophobicContact CG-CD2 4.47Å; I189-L193 HydrophobicContact CD1-CB 4.23Å; I189-L193 HydrophobicContact CD1-CD2 4Å; I189-L193 WeakPolarHBondContact O-CB 3.34Å; I189-L193 PolarHBondContact O-N 3.01Å; A190-L193 PolarHBondContact O-N 3.27Å; L193-E196 PolarHBondContact O-N 2.9Å; L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.15Å; L193-L197 HydrophobicContact CG-CD1 3.92Å; L193-L197 WeakPolarHBondContact O-CB 3.32Å; L193-L197 VanDerWaalsContact O-CG 3.27Å; L193-L197 WeakPolarHBondContact O-CG 3.39Å; L193-L197 PolarHBondContact O-N 3.43Å
194F96.9Very high95.2Very high1 Ų139.5 Ų39.50%0.00420%0.202CC..Hα-helixtrans-58.8-51176.1-173.1-113.4000111.1L124 A146 Y182 A190 S191 E196 L197 L198 V205 L207L124-F194 HydrophobicContact CD1-CB 3.95Å; L124-F194 HydrophobicContact CD1-CD2 4.31Å; A146-F194 HydrophobicContact CB-CE1 3.79Å; A146-F194 HydrophobicContact CB-CZ 3.76Å; Y182-F194 HydrophobicContact CD2-CD1 4.33Å; Y182-F194 HydrophobicContact CD2-CE1 4.43Å; Y182-F194 HydrophobicContact CE2-CD1 4.06Å; Y182-F194 AromaticContact CE2-CE1 3.72Å; Y182-F194 HydrophobicContact CE2-CE1 3.72Å; A190-F194 WeakPolarHBondContact O-CB 3.33Å; A190-F194 PolarHBondContact O-N 3.3Å; S191-F194 PolarHBondContact O-N 3.35Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.07Å; F194-L197 CarbonylContact O-C 3.57Å; F194-L197 PolarHBondContact O-N 3.14Å; F194-L197 VanDerWaalsContact O-N 3.13Å; F194-L198 HydrophobicContact CD1-CD1 3.98Å; F194-L198 HydrophobicContact CD1-CG 4.21Å; F194-L198 HydrophobicContact CE1-CD1 3.71Å; F194-L198 HydrophobicContact CE1-CD2 4.02Å; F194-L198 HydrophobicContact CE1-CG 3.99Å; F194-L198 HydrophobicContact CE2-CD2 4.27Å; F194-L198 HydrophobicContact CZ-CD1 4.36Å; F194-L198 HydrophobicContact CZ-CD2 3.81Å; F194-L198 HydrophobicContact CZ-CG 4.24Å; F194-L198 WeakPolarHBondContact O-CG 3.32Å; F194-L198 PolarHBondContact O-N 3.5Å; F194-V205 HydrophobicContact CD2-CB 4.46Å; F194-V205 HydrophobicContact CD2-CG1 3.99Å; F194-V205 HydrophobicContact CD2-CG2 3.72Å; F194-V205 HydrophobicContact CE2-CB 4.37Å; F194-V205 HydrophobicContact CE2-CG1 3.77Å; F194-V205 HydrophobicContact CE2-CG2 4Å; F194-L207 HydrophobicContact CB-CB 4.3Å; F194-L207 HydrophobicContact CB-CD2 4.21Å; F194-L207 HydrophobicContact CD1-CB 4.21Å; F194-L207 HydrophobicContact CD1-CD2 4.18Å; F194-L207 HydrophobicContact CD2-CB 3.55Å; F194-L207 HydrophobicContact CE1-CB 4.43Å; F194-L207 HydrophobicContact CE2-CB 3.8Å; F194-L207 HydrophobicContact CG-CB 3.76Å; F194-L207 HydrophobicContact CG-CD2 4.14Å; F194-L207 HydrophobicContact CZ-CB 4.25Å
195E94.1Very high95.4Very high32 Ų3238.9 Ų38.915%0.1520%0.199CC..Hα-helixtrans-61.1-37.3178.7-76.1169.5-16400113.9V180 V181 S191V180-E195 VanDerWaalsContact C-OE1 3.31Å; V180-E195 WeakPolarHBondContact CA-OE1 3.5Å; V180-E195 WeakPolarHBondContact CB-OE1 3.34Å; V180-E195 WeakPolarHBondContact CG1-OE1 3.35Å; V181-E195 HydrophobicContact CG2-CG 4.18Å; V181-E195 PolarHBondContact N-OE1 3.01Å; S191-E195 WeakPolarHBondContact O-CB 3.46Å; S191-E195 VanDerWaalsContact O-CG 3.31Å; S191-E195 WeakPolarHBondContact O-CG 3.4Å; S191-E195 PolarHBondContact O-N 2.97Å
196E95.7Very high95.6Very high51 Ų5137.1 Ų37.124%0.23819%0.188CC..Hα-helixtrans-69.5-40.2175.2-164.765.9-159.500110.9V107 V111 Y192 L193 F194 L198 K199 H200V107-E196 HydrophobicContact CG1-CB 3.69Å; V107-E196 HydrophobicContact CG1-CG 4.06Å; V111-E196 HydrophobicContact CG2-CB 4.05Å; V111-E196 HydrophobicContact CG2-CG 3.79Å; Y192-E196 WeakPolarHBondContact O-CB 3.33Å; Y192-E196 PolarHBondContact O-N 3.01Å; L193-E196 PolarHBondContact O-N 2.9Å; F194-E196 VanDerWaalsContact C-N 3.33Å; F194-E196 PolarHBondContact O-N 3.07Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.35Å; E196-K199 WeakPolarHBondContact O-CB 3.11Å; E196-K199 PolarHBondContact O-N 2.73Å; E196-K199 IonicContact OE1-NZ 3.74Å; E196-K199 IonicContact OE2-NZ 3.67Å; E196-K199 PolarHBondContact OE2-NZ 3.45Å; E196-H200 PolarHBondContact O-CD2 3.06Å
197L96.8Very high95.7Very high0 Ų035.9 Ų35.90%018%0.175CC..Hα-helixtrans-67.4-30.3175.8-71.9170.1000113V111 L114 L124 L193 F194 K199 H200 I203 V205V111-L197 HydrophobicContact CG1-CD2 4.41Å; V111-L197 HydrophobicContact CG2-CD2 3.92Å; V111-L197 HydrophobicContact CG2-CG 4.09Å; L114-L197 HydrophobicContact CD1-CD1 3.89Å; L114-L197 HydrophobicContact CD1-CD2 3.99Å; L124-L197 HydrophobicContact CD1-CD1 4.19Å; L124-L197 HydrophobicContact CD2-CD1 4.35Å; L193-L197 HydrophobicContact CD1-CD1 3.94Å; L193-L197 HydrophobicContact CD1-CG 4.15Å; L193-L197 HydrophobicContact CG-CD1 3.92Å; L193-L197 WeakPolarHBondContact O-CB 3.32Å; L193-L197 VanDerWaalsContact O-CG 3.27Å; L193-L197 WeakPolarHBondContact O-CG 3.39Å; L193-L197 PolarHBondContact O-N 3.43Å; F194-L197 CarbonylContact O-C 3.57Å; F194-L197 PolarHBondContact O-N 3.14Å; F194-L197 VanDerWaalsContact O-N 3.13Å; L197-K199 PolarHBondContact O-N 3.28Å; L197-K199 VanDerWaalsContact O-N 3.12Å; L197-H200 WeakPolarHBondContact O-CB 3.44Å; L197-H200 PolarHBondContact O-N 2.96Å; L197-I203 HydrophobicContact CD2-CD1 3.71Å; L197-I203 HydrophobicContact CD2-CG2 4.43Å; L197-V205 HydrophobicContact CB-CB 4.21Å; L197-V205 HydrophobicContact CB-CG1 3.85Å; L197-V205 HydrophobicContact CB-CG2 4.24Å; L197-V205 HydrophobicContact CD1-CB 4.32Å; L197-V205 HydrophobicContact CD1-CG2 3.7Å
198L94.9Very high95.8Very high65 Ų6535.5 Ų35.534%0.3417%0.172SC..THydrogen-bonded Turntrans-60.4-19.9174.1-73.2-178.4000113.3F194 E196 H200 V205F194-L198 HydrophobicContact CD1-CD1 3.98Å; F194-L198 HydrophobicContact CD1-CG 4.21Å; F194-L198 HydrophobicContact CE1-CD1 3.71Å; F194-L198 HydrophobicContact CE1-CD2 4.02Å; F194-L198 HydrophobicContact CE1-CG 3.99Å; F194-L198 HydrophobicContact CE2-CD2 4.27Å; F194-L198 HydrophobicContact CZ-CD1 4.36Å; F194-L198 HydrophobicContact CZ-CD2 3.81Å; F194-L198 HydrophobicContact CZ-CG 4.24Å; F194-L198 WeakPolarHBondContact O-CG 3.32Å; F194-L198 PolarHBondContact O-N 3.5Å; E196-L198 VanDerWaalsContact C-N 3.34Å; E196-L198 PolarHBondContact O-N 3.35Å; L198-H200 PolarHBondContact O-N 2.98Å; L198-V205 HydrophobicContact CD2-CG1 4.29Å
199K95.2Very high95.9Very high137 Ų13734.5 Ų34.560%0.59616%0.162SC*.THydrogen-bonded Turntrans-78.7-4175.4-56.8170.8-173.4170.30113E196 L197E196-K199 WeakPolarHBondContact O-CB 3.11Å; E196-K199 PolarHBondContact O-N 2.73Å; E196-K199 IonicContact OE1-NZ 3.74Å; E196-K199 IonicContact OE2-NZ 3.67Å; E196-K199 PolarHBondContact OE2-NZ 3.45Å; L197-K199 PolarHBondContact O-N 3.28Å; L197-K199 VanDerWaalsContact O-N 3.12Å
200H94.6Very high95.9Very high36 Ų3634.2 Ų34.217%0.16716%0.16CC..  trans-121.287.8-174.6-64.4-57.9000109.6K115 E196 L197 L198 E202 I203K115-H200 PolarHBondContact NZ-CE1 3.23Å; K115-H200 PolarHBondContact NZ-ND1 3.34Å; E196-H200 PolarHBondContact O-CD2 3.06Å; L197-H200 WeakPolarHBondContact O-CB 3.44Å; L197-H200 PolarHBondContact O-N 2.96Å; L198-H200 PolarHBondContact O-N 2.98Å; H200-E202 VanDerWaalsContact C-OE2 3.23Å; H200-E202 VanDerWaalsContact CA-OE2 3.31Å; H200-E202 WeakPolarHBondContact CA-OE2 3.48Å; H200-E202 IonicContact ND1-OE1 3.61Å; H200-E202 PolarHBondContact O-N 2.92Å; H200-E202 VanDerWaalsContact O-N 3.12Å; H200-I203 HydrophobicContact CB-CD1 4.32Å; H200-I203 HydrophobicContact CB-CG1 4.36Å; H200-I203 PolarHBondContact O-N 3.16Å
201E91.9Very high95.9Very high155 Ų15534.9 Ų34.972%0.72416%0.163SC*.THydrogen-bonded Turntrans-60.4-22.6-177.3-63.1-176169.500113.1S150 I203S150-E201 VanDerWaalsContact CB-O 3.31Å; S150-E201 WeakPolarHBondContact CB-O 3.3Å; E201-I203 PolarHBondContact O-N 3.16Å
202E92Very high96Very high125 Ų12535 Ų3558%0.58416%0.164SC*.THydrogen-bonded Turntrans-68.4-15.5175.573.9-84-158.400113.6K115 H200K115-E202 WeakPolarHBondContact CE-OE1 3.37Å; K115-E202 IonicContact NZ-OE1 2.68Å; H200-E202 VanDerWaalsContact C-OE2 3.23Å; H200-E202 VanDerWaalsContact CA-OE2 3.31Å; H200-E202 WeakPolarHBondContact CA-OE2 3.48Å; H200-E202 IonicContact ND1-OE1 3.61Å; H200-E202 PolarHBondContact O-N 2.92Å; H200-E202 VanDerWaalsContact O-N 3.12Å
203I93.9Very high96Very high11 Ų1134.9 Ų34.96%0.05617%0.174CC..SBendtrans-105.5120.2178.6-55.1-178000109.3L114 K115 V122 S150 L197 H200 E201 V205L114-I203 HydrophobicContact CB-CD1 4.5Å; K115-I203 HydrophobicContact CG-CD1 3.74Å; V122-I203 HydrophobicContact CB-CG2 4.35Å; V122-I203 HydrophobicContact CG2-CG2 3.94Å; S150-I203 PolarHBondContact OG-O 2.99Å; L197-I203 HydrophobicContact CD2-CD1 3.71Å; L197-I203 HydrophobicContact CD2-CG2 4.43Å; H200-I203 HydrophobicContact CB-CD1 4.32Å; H200-I203 HydrophobicContact CB-CG1 4.36Å; H200-I203 PolarHBondContact O-N 3.16Å; E201-I203 PolarHBondContact O-N 3.16Å; I203-V205 HydrophobicContact CG2-CB 4.4Å; I203-V205 PolarHBondContact O-N 3.33Å
204S96.3Very high95.7Very high22 Ų2240.7 Ų40.715%0.15420%0.201CC..  trans-80.3104166.3-65.10000109.1T121 V122 S150 F151T121-S204 CarbonylContact C-O 3.5Å; T121-S204 WeakPolarHBondContact CA-O 3.5Å; V122-S204 PolarHBondContact N-O 3.42Å; S150-S204 PolarHBondContact O-OG 3.24Å; S150-S204 WeakPolarHBondContact OG-CA 3.25Å; F151-S204 VanDerWaalsContact CE2-C 3.45Å
205V97.6Very high95.5Very high0 Ų042.8 Ų42.80%022%0.222CC..EExtended strand (participates in β ladder)trans-112.7131.4-178.962.70000113.3V122 L124 S148 F151 F194 L197 L198 I203V122-V205 CarbonylContact O-C 3.46Å; V122-V205 VanDerWaalsContact O-CA 3.28Å; V122-V205 WeakPolarHBondContact O-CA 3.44Å; L124-V205 HydrophobicContact CD1-CG2 4.07Å; L124-V205 HydrophobicContact CG-CG2 4.02Å; S148-V205 PolarHBondContact N-O 3.17Å; S148-V205 PolarHBondContact OG-N 2.94Å; S148-V205 PolarHBondContact OG-O 3.41Å; F151-V205 VanDerWaalsContact CE2-O 3.31Å; F151-V205 WeakPolarHBondContact CE2-O 3.49Å; F194-V205 HydrophobicContact CD2-CB 4.46Å; F194-V205 HydrophobicContact CD2-CG1 3.99Å; F194-V205 HydrophobicContact CD2-CG2 3.72Å; F194-V205 HydrophobicContact CE2-CB 4.37Å; F194-V205 HydrophobicContact CE2-CG1 3.77Å; F194-V205 HydrophobicContact CE2-CG2 4Å; L197-V205 HydrophobicContact CB-CB 4.21Å; L197-V205 HydrophobicContact CB-CG1 3.85Å; L197-V205 HydrophobicContact CB-CG2 4.24Å; L197-V205 HydrophobicContact CD1-CB 4.32Å; L197-V205 HydrophobicContact CD1-CG2 3.7Å; L198-V205 HydrophobicContact CD2-CG1 4.29Å; I203-V205 HydrophobicContact CG2-CB 4.4Å; I203-V205 PolarHBondContact O-N 3.33Å
206C97.6Very high95.5Very high0 Ų046 Ų460%024%0.241CC..EExtended strand (participates in β ladder)trans-114.4125.6172.5175.80000108.6V122 V123 L124 A146 L147 F151 W231V122-C206 PolarHBondContact O-N 2.91Å; V123-C206 CarbonylContact C-O 3.5Å; V123-C206 WeakPolarHBondContact CA-O 3.14Å; V123-C206 HydrophobicContact CG1-CB 4.42Å; V123-C206 HydrophobicContact CG2-CB 4.39Å; L124-C206 PolarHBondContact N-O 2.91Å; A146-C206 CarbonylContact O-C 3.59Å; A146-C206 WeakPolarHBondContact O-CA 3.19Å; L147-C206 HydrophobicContact CD2-CB 3.6Å; L147-C206 VanDerWaalsContact CD2-SG 3.6Å; F151-C206 HydrophobicContact CE2-CB 4.11Å; F151-C206 HydrophobicContact CZ-CB 3.83Å; C206-W231 HydrophobicContact CB-CH2 3.99Å
207L97.9Very high95.6Very high0 Ų043.7 Ų43.70%023%0.23CC..EExtended strand (participates in β ladder)trans-91.7119.7164.5174.562000107.9L124 S126 Y145 A146 L167 L184 A190 F194L124-L207 HydrophobicContact CB-CD1 4.1Å; S126-L207 WeakPolarHBondContact OG-CD1 3.5Å; Y145-L207 CarbonylContact C-O 3.38Å; Y145-L207 WeakPolarHBondContact CA-O 3.47Å; A146-L207 HydrophobicContact CB-CB 4.38Å; A146-L207 PolarHBondContact N-O 2.86Å; A146-L207 PolarHBondContact O-N 2.96Å; L167-L207 HydrophobicContact CD1-CD2 3.91Å; L167-L207 HydrophobicContact CD1-CG 4.13Å; L184-L207 HydrophobicContact CD1-CD2 3.85Å; A190-L207 HydrophobicContact CB-CD1 3.87Å; F194-L207 HydrophobicContact CB-CB 4.3Å; F194-L207 HydrophobicContact CB-CD2 4.21Å; F194-L207 HydrophobicContact CD1-CB 4.21Å; F194-L207 HydrophobicContact CD1-CD2 4.18Å; F194-L207 HydrophobicContact CD2-CB 3.55Å; F194-L207 HydrophobicContact CE1-CB 4.43Å; F194-L207 HydrophobicContact CE2-CB 3.8Å; F194-L207 HydrophobicContact CG-CB 3.76Å; F194-L207 HydrophobicContact CG-CD2 4.14Å; F194-L207 HydrophobicContact CZ-CB 4.25Å
208L97.9Very high95.5Very high2 Ų245.5 Ų45.51%0.0124%0.243CC..EExtended strand (participates in β ladder)trans-116.5107.5177.3-176.560.7000108.6V123 L124 L125 S126 L143 W164 L228V123-L208 HydrophobicContact CG1-CB 4.12Å; V123-L208 HydrophobicContact CG1-CD2 4.5Å; L124-L208 PolarHBondContact O-N 2.87Å; L125-L208 HydrophobicContact CD2-CB 4.03Å; L125-L208 HydrophobicContact CD2-CD2 3.74Å; L125-L208 HydrophobicContact CD2-CG 4.24Å; S126-L208 PolarHBondContact N-O 2.84Å; L143-L208 HydrophobicContact CD1-CD1 3.62Å; L143-L208 HydrophobicContact CD1-CD2 4.36Å; L143-L208 HydrophobicContact CD1-CG 3.7Å; L143-L208 HydrophobicContact CD2-CD1 4Å; L143-L208 HydrophobicContact CD2-CD2 4.39Å; L143-L208 HydrophobicContact CD2-CG 4.43Å; L143-L208 HydrophobicContact CG-CD1 3.61Å; L143-L208 HydrophobicContact CG-CG 4.19Å; W164-L208 HydrophobicContact CE3-CD1 3.91Å; W164-L208 HydrophobicContact CH2-CD1 4.15Å; W164-L208 HydrophobicContact CH2-CD2 3.9Å; W164-L208 HydrophobicContact CZ3-CD1 3.46Å; W164-L208 VanDerWaalsContact CZ3-CD1 3.46Å; W164-L208 HydrophobicContact CZ3-CD2 3.92Å; W164-L208 HydrophobicContact CZ3-CG 4.33Å; L208-L228 HydrophobicContact CD2-CD2 3.66Å; L208-L228 HydrophobicContact CD2-CG 4.09Å
209N98.1Very high95.5Very high0 Ų044.6 Ų44.60%025%0.249CC..EExtended strand (participates in β ladder)trans-115.5126.1-171.8-177.883.7000111.6S126 S128 Q144 L167 L184S126-N209 WeakPolarHBondContact O-CA 3.16Å; S126-N209 WeakPolarHBondContact OG-CB 3.27Å; S126-N209 PolarHBondContact OG-OD1 2.93Å; S128-N209 PolarHBondContact N-OD1 3.29Å; S128-N209 PolarHBondContact OG-ND2 3.43Å; S128-N209 PolarHBondContact OG-OD1 2.91Å; Q144-N209 PolarHBondContact N-O 3.33Å; Q144-N209 PolarHBondContact O-N 2.92Å; L167-N209 HydrophobicContact CD1-CB 4.36Å; L167-N209 HydrophobicContact CD2-CB 4.37Å; L184-N209 HydrophobicContact CD1-CB 4.3Å
210L98Very high95.6Very high0 Ų040.4 Ų40.40%023%0.233CC..EExtended strand (participates in β ladder)trans-93.4129.7169.4-170.678.8000111V32 S126 S127 S128 P142 L143 D220 Y223 V224V32-L210 HydrophobicContact CG1-CB 4.44Å; V32-L210 HydrophobicContact CG1-CD2 3.71Å; V32-L210 HydrophobicContact CG2-CD2 4.11Å; S126-L210 PolarHBondContact O-N 3.33Å; S127-L210 CarbonylContact C-O 3.57Å; S127-L210 WeakPolarHBondContact CA-O 3.4Å; S128-L210 PolarHBondContact N-O 3.32Å; P142-L210 HydrophobicContact CB-CD1 3.98Å; P142-L210 HydrophobicContact CG-CD1 4.09Å; P142-L210 WeakPolarHBondContact O-CA 3.24Å; L143-L210 HydrophobicContact CB-CD1 3.94Å; L143-L210 HydrophobicContact CD1-CB 4.11Å; L143-L210 HydrophobicContact CD1-CD1 4.13Å; L210-D220 HydrophobicContact CD2-CB 3.48Å; L210-D220 VanDerWaalsContact CD2-CB 3.48Å; L210-Y223 HydrophobicContact CD1-CD1 4.02Å; L210-Y223 HydrophobicContact CD1-CE1 4.25Å; L210-V224 HydrophobicContact CB-CG2 4.17Å; L210-V224 HydrophobicContact CD1-CG2 4.21Å; L210-V224 HydrophobicContact CD2-CG2 4.17Å; L210-V224 HydrophobicContact CG-CG2 4.42Å
211F96.7Very high95.7Very high14 Ų1438.7 Ų38.76%0.06123%0.225CC..EExtended strand (participates in β ladder)trans-83.6117.5166.8-69.5-75000110.4S128 A130 I132 L133 P142 Q144 L167 L184S128-F211 CarbonylContact O-C 3.54Å; S128-F211 WeakPolarHBondContact O-CA 3.36Å; A130-F211 HydrophobicContact CB-CB 4.16Å; I132-F211 HydrophobicContact CD1-CD1 4.34Å; I132-F211 HydrophobicContact CD1-CE1 3.63Å; I132-F211 HydrophobicContact CG1-CD1 4.34Å; I132-F211 HydrophobicContact CG1-CE1 4Å; L133-F211 HydrophobicContact CD1-CB 3.75Å; L133-F211 HydrophobicContact CD1-CD1 4.46Å; L133-F211 HydrophobicContact CD1-CD2 4.26Å; L133-F211 HydrophobicContact CD1-CG 3.9Å; L133-F211 HydrophobicContact CD2-CD1 3.96Å; L133-F211 HydrophobicContact CD2-CD2 3.88Å; L133-F211 HydrophobicContact CD2-CE1 4.04Å; L133-F211 HydrophobicContact CD2-CE2 3.95Å; L133-F211 HydrophobicContact CD2-CG 3.87Å; L133-F211 HydrophobicContact CD2-CZ 4.02Å; L133-F211 HydrophobicContact CG-CB 4.32Å; L133-F211 HydrophobicContact CG-CD1 4.11Å; L133-F211 HydrophobicContact CG-CD2 4.46Å; L133-F211 HydrophobicContact CG-CG 4.03Å; P142-F211 WeakPolarHBondContact O-CD2 3.23Å; P142-F211 PolarHBondContact O-N 2.9Å; Q144-F211 HydrophobicContact CB-CE2 4.34Å; Q144-F211 HydrophobicContact CG-CD2 4.47Å; Q144-F211 HydrophobicContact CG-CE2 4.17Å; L167-F211 HydrophobicContact CD2-CE2 4.04Å; L167-F211 HydrophobicContact CD2-CZ 4.09Å; L184-F211 HydrophobicContact CD2-CE1 3.82Å; L184-F211 HydrophobicContact CD2-CZ 3.6Å
212T96.6Very high96Very high11 Ų1134 Ų347%0.06720%0.204CC..EExtended strand (participates in β ladder)trans-144.2175.2-176-170.50000112.8V29 V32 S128 F129 A130 N217 D220V29-T212 HydrophobicContact CG1-CG2 4.28Å; V32-T212 HydrophobicContact CG2-CG2 3.78Å; S128-T212 PolarHBondContact O-N 3.17Å; F129-T212 CarbonylContact C-O 3.54Å; F129-T212 WeakPolarHBondContact CA-O 3.13Å; A130-T212 PolarHBondContact N-O 3.07Å; T212-N217 PolarHBondContact OG1-OD1 2.59Å; T212-D220 WeakPolarHBondContact CB-OD2 3.32Å; T212-D220 PolarHBondContact OG1-OD2 2.97Å
213S95.3Very high96.2Very high71 Ų7131.4 Ų31.450%0.49719%0.19SC..  trans-109.2161.1168.6-60.90000110.9N217S213-N217 PolarHBondContact O-ND2 3.01Å; S213-N217 VanDerWaalsContact O-ND2 3.17Å; S213-N217 PolarHBondContact O-OD1 2.86Å
214E92.6Very high96.4Very high122 Ų12231.1 Ų31.157%0.5719%0.189SC*.SBendtrans-64.1148.7169.1-69.8-72179.400110.7V29 G30 F129V29-E214 HydrophobicContact CG2-CG 3.84Å; V29-E214 VanDerWaalsContact CG2-OE1 3.32Å; V29-E214 WeakPolarHBondContact CG2-OE1 3.16Å; G30-E214 WeakPolarHBondContact CA-OE2 3.32Å; G30-E214 PolarHBondContact N-OE1 2.98Å; G30-E214 PolarHBondContact N-OE2 3.5Å; F129-E214 HydrophobicContact CE1-CG 4.36Å
215G92.4Very high96.4Very high44 Ų4430.1 Ų30.145%0.45418%0.182SC..SBendtrans142.9-156.5-178.500000112.6N217 F257G215-N217 PolarHBondContact N-ND2 3.2Å; G215-N217 PolarHBondContact O-N 2.99Å; G215-N217 VanDerWaalsContact O-N 3.16Å; G215-N217 PolarHBondContact O-ND2 3.41Å; G215-F257 VanDerWaalsContact O-CE1 3.32Å; G215-F257 WeakPolarHBondContact O-CE1 2.86Å
216D94Very high96.3Very high100 Ų10034 Ų3454%0.53520%0.2SC..  trans-72.7104.1169.3-174.4-14.7000109.7S218 F257D216-S218 WeakPolarHBondContact OD1-CB 3.32Å; D216-S218 PolarHBondContact OD1-N 3.13Å; D216-S218 PolarHBondContact OD1-OG 3.48Å; D216-F257 HydrophobicContact CB-CB 4.4Å; D216-F257 HydrophobicContact CB-CD1 4.31Å; D216-F257 HydrophobicContact CB-CD2 4.05Å; D216-F257 HydrophobicContact CB-CE2 4.39Å; D216-F257 HydrophobicContact CB-CG 4Å; D216-F257 WeakPolarHBondContact OD1-CD2 3.27Å; D216-F257 WeakPolarHBondContact OD1-CE2 3.28Å
217N96.2Very high96.2Very high2 Ų236.2 Ų36.21%0.01121%0.21CC..  trans-10217.2-177.6-79.1-87.6000112.2G30 V32 L35 T212 S213 G215 G219 D220 A221G30-N217 VanDerWaalsContact CA-ND2 3.35Å; G30-N217 WeakPolarHBondContact CA-ND2 3.3Å; G30-N217 VanDerWaalsContact O-CB 3.29Å; G30-N217 WeakPolarHBondContact O-CB 3.37Å; V32-N217 HydrophobicContact CG2-CB 4Å; L35-N217 HydrophobicContact CD1-CB 4.04Å; T212-N217 PolarHBondContact OG1-OD1 2.59Å; S213-N217 PolarHBondContact O-ND2 3.01Å; S213-N217 VanDerWaalsContact O-ND2 3.17Å; S213-N217 PolarHBondContact O-OD1 2.86Å; G215-N217 PolarHBondContact N-ND2 3.2Å; G215-N217 PolarHBondContact O-N 2.99Å; G215-N217 VanDerWaalsContact O-N 3.16Å; G215-N217 PolarHBondContact O-ND2 3.41Å; N217-G219 VanDerWaalsContact C-N 3.35Å; N217-D220 HydrophobicContact CB-CB 4.4Å; N217-D220 PolarHBondContact O-N 3.42Å; N217-D220 PolarHBondContact OD1-OD2 3.36Å; N217-A221 WeakPolarHBondContact O-CB 3.1Å; N217-A221 PolarHBondContact O-N 2.99Å
218S94.8Very high96.1Very high39 Ų3936.2 Ų36.227%0.27321%0.21SC..Hα-helixtrans-62-41.3177.460.10000112.3D216 A221 L222D216-S218 WeakPolarHBondContact OD1-CB 3.32Å; D216-S218 PolarHBondContact OD1-N 3.13Å; D216-S218 PolarHBondContact OD1-OG 3.48Å; S218-A221 PolarHBondContact O-N 2.85Å; S218-L222 PolarHBondContact O-N 2.95Å
219G95Very high95.9Very high45 Ų4536.5 Ų36.546%0.46421%0.211SC..Hα-helixtrans-64.8-39.9175.100000112.9N217 L222 Y223N217-G219 VanDerWaalsContact C-N 3.35Å; G219-L222 WeakPolarHBondContact O-CB 3.42Å; G219-L222 PolarHBondContact O-N 3Å; G219-Y223 WeakPolarHBondContact O-CB 3.36Å; G219-Y223 PolarHBondContact O-N 2.83Å
220D97.5Very high95.7Very high49 Ų4938.7 Ų38.726%0.26223%0.227SC..Hα-helixtrans-65-41.7176-81.1-15.5000112.3V32 L210 T212 N217 L222 Y223 V224V32-D220 HydrophobicContact CG1-CB 4.31Å; V32-D220 HydrophobicContact CG2-CB 4.2Å; L210-D220 HydrophobicContact CD2-CB 3.48Å; L210-D220 VanDerWaalsContact CD2-CB 3.48Å; T212-D220 WeakPolarHBondContact CB-OD2 3.32Å; T212-D220 PolarHBondContact OG1-OD2 2.97Å; N217-D220 HydrophobicContact CB-CB 4.4Å; N217-D220 PolarHBondContact O-N 3.42Å; N217-D220 PolarHBondContact OD1-OD2 3.36Å; D220-L222 VanDerWaalsContact C-N 3.34Å; D220-L222 PolarHBondContact O-N 3.44Å; D220-Y223 WeakPolarHBondContact O-CB 3.31Å; D220-Y223 PolarHBondContact O-N 3.29Å; D220-V224 WeakPolarHBondContact O-CG2 3.45Å; D220-V224 PolarHBondContact O-N 3.37Å
221A97.9Very high95.5Very high0 Ų039.4 Ų39.40%023%0.23CC..Hα-helixtrans-60.5-44.5173.600000111.7L35 A36 L39 N217 S218 V224 V225 W253L35-A221 HydrophobicContact CB-CB 3.44Å; L35-A221 VanDerWaalsContact CB-CB 3.44Å; A36-A221 HydrophobicContact CB-CB 4.4Å; L39-A221 HydrophobicContact CD1-CB 4.04Å; N217-A221 WeakPolarHBondContact O-CB 3.1Å; N217-A221 PolarHBondContact O-N 2.99Å; S218-A221 PolarHBondContact O-N 2.85Å; A221-V224 PolarHBondContact O-N 3.05Å; A221-V225 VanDerWaalsContact O-CG2 3.29Å; A221-V225 WeakPolarHBondContact O-CG2 2.98Å; A221-V225 PolarHBondContact O-N 3.06Å; A221-W253 HydrophobicContact CB-CH2 4.12Å
222L96.6Very high95.3Very high56 Ų5639.7 Ų39.729%0.29323%0.232SC..Hα-helixtrans-61.6-43.5175.4178.360000111.6L39 S218 G219 D220 V224 V225 Q226 W247L39-L222 HydrophobicContact CD1-CB 4.27Å; S218-L222 PolarHBondContact O-N 2.95Å; G219-L222 WeakPolarHBondContact O-CB 3.42Å; G219-L222 PolarHBondContact O-N 3Å; D220-L222 VanDerWaalsContact C-N 3.34Å; D220-L222 PolarHBondContact O-N 3.44Å; L222-V224 PolarHBondContact O-N 3.1Å; L222-V225 PolarHBondContact O-N 3.32Å; L222-Q226 HydrophobicContact CD1-CG 4.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.31Å; L222-Q226 PolarHBondContact O-N 2.97Å; L222-W247 HydrophobicContact CD1-CB 3.43Å; L222-W247 VanDerWaalsContact CD1-CB 3.43Å; L222-W247 HydrophobicContact CD1-CG 3.65Å
223Y96.7Very high95Very high71 Ų7143.7 Ų43.728%0.27825%0.25SC..Hα-helixtrans-57.3-48.3176.2-179-92.7000111.6P142 L143 L210 G219 D220 V225 Q226 H227P142-Y223 HydrophobicContact CG-CE1 4.13Å; L143-Y223 HydrophobicContact CB-CE1 3.8Å; L143-Y223 HydrophobicContact CD2-CE1 4.4Å; L210-Y223 HydrophobicContact CD1-CD1 4.02Å; L210-Y223 HydrophobicContact CD1-CE1 4.25Å; G219-Y223 WeakPolarHBondContact O-CB 3.36Å; G219-Y223 PolarHBondContact O-N 2.83Å; D220-Y223 WeakPolarHBondContact O-CB 3.31Å; D220-Y223 PolarHBondContact O-N 3.29Å; Y223-V225 VanDerWaalsContact C-N 3.34Å; Y223-V225 PolarHBondContact O-N 2.87Å; Y223-Q226 PolarHBondContact O-N 3.44Å; Y223-H227 AromaticContact CD1-CE1 3.95Å; Y223-H227 AromaticContact CD1-ND1 3.88Å; Y223-H227 AromaticContact CD2-CE1 3.83Å; Y223-H227 AromaticContact CE1-CE1 3.43Å; Y223-H227 VanDerWaalsContact CE1-CE1 3.43Å; Y223-H227 WeakPolarHBondContact CE1-CE1 3.48Å; Y223-H227 AromaticContact CE1-ND1 3.72Å; Y223-H227 AromaticContact CE1-NE2 3.96Å; Y223-H227 AromaticContact CE2-CE1 3.32Å; Y223-H227 WeakPolarHBondContact CE2-CE1 3.48Å; Y223-H227 AromaticContact CZ-CE1 3.08Å; Y223-H227 AromaticContact CZ-ND1 3.84Å; Y223-H227 AromaticContact CZ-NE2 3.59Å; Y223-H227 PolarHBondContact O-N 2.94Å; Y223-H227 PolarHBondContact O-ND1 2.68Å; Y223-H227 PolarHBondContact OH-CE1 2.91Å; Y223-H227 PolarHBondContact OH-NE2 3.33Å
224V98Very high94.6Very high6 Ų640.4 Ų40.44%0.03623%0.227CC..Hα-helixtrans-59.3-44.4176.41710000111.4V32 A36 L125 L143 L210 D220 A221 L222 H227 L228V32-V224 HydrophobicContact CG1-CG2 3.95Å; A36-V224 HydrophobicContact CB-CB 4.29Å; A36-V224 HydrophobicContact CB-CG1 4.03Å; L125-V224 HydrophobicContact CD1-CG1 4.34Å; L125-V224 HydrophobicContact CD2-CG1 4.37Å; L143-V224 HydrophobicContact CD1-CG2 4.02Å; L210-V224 HydrophobicContact CB-CG2 4.17Å; L210-V224 HydrophobicContact CD1-CG2 4.21Å; L210-V224 HydrophobicContact CD2-CG2 4.17Å; L210-V224 HydrophobicContact CG-CG2 4.42Å; D220-V224 WeakPolarHBondContact O-CG2 3.45Å; D220-V224 PolarHBondContact O-N 3.37Å; A221-V224 PolarHBondContact O-N 3.05Å; L222-V224 PolarHBondContact O-N 3.1Å; V224-H227 WeakPolarHBondContact O-CB 3.43Å; V224-H227 PolarHBondContact O-N 3.25Å; V224-L228 HydrophobicContact CG1-CD1 3.97Å; V224-L228 HydrophobicContact CG1-CG 4.42Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.36Å
225V97Very high94Very high0 Ų037.8 Ų37.80%021%0.211CC..Hα-helixtrans-66.1-39.3-178.5168.30000112.4A36 L39 L40 A221 L222 Y223 H227 L228 D229 W247A36-V225 HydrophobicContact CB-CG2 3.8Å; A36-V225 WeakPolarHBondContact O-CG2 3.07Å; L39-V225 HydrophobicContact CB-CG2 4Å; L39-V225 HydrophobicContact CD1-CG2 4.17Å; L40-V225 HydrophobicContact CD2-CG1 3.92Å; L40-V225 HydrophobicContact CD2-CG2 4.28Å; L40-V225 HydrophobicContact CG-CG1 4.48Å; L40-V225 HydrophobicContact CG-CG2 4.03Å; A221-V225 VanDerWaalsContact O-CG2 3.29Å; A221-V225 WeakPolarHBondContact O-CG2 2.98Å; A221-V225 PolarHBondContact O-N 3.06Å; L222-V225 PolarHBondContact O-N 3.32Å; Y223-V225 VanDerWaalsContact C-N 3.34Å; Y223-V225 PolarHBondContact O-N 2.87Å; V225-H227 VanDerWaalsContact C-N 3.29Å; V225-H227 PolarHBondContact O-N 3.39Å; V225-L228 PolarHBondContact O-N 3Å; V225-D229 WeakPolarHBondContact O-CB 3.31Å; V225-D229 PolarHBondContact O-N 3.31Å; V225-W247 HydrophobicContact CG1-CD2 3.41Å; V225-W247 VanDerWaalsContact CG1-CD2 3.41Å; V225-W247 HydrophobicContact CG1-CE3 3.42Å; V225-W247 VanDerWaalsContact CG1-CE3 3.42Å; V225-W247 HydrophobicContact CG1-CG 4.25Å; V225-W247 HydrophobicContact CG1-CH2 3.32Å; V225-W247 HydrophobicContact CG1-CZ2 3.3Å; V225-W247 HydrophobicContact CG1-CZ3 3.37Å
226Q95Very high93.4Very high83 Ų8338.9 Ų38.939%0.38822%0.216SC..Hα-helixtrans-62.7-37.1174.4-72.1173.5-1200112.2L222 Y223 S230L222-Q226 HydrophobicContact CD1-CG 4.26Å; L222-Q226 WeakPolarHBondContact O-CG 3.31Å; L222-Q226 PolarHBondContact O-N 2.97Å; Y223-Q226 PolarHBondContact O-N 3.44Å; Q226-S230 WeakPolarHBondContact O-CB 3.44Å; Q226-S230 PolarHBondContact O-N 2.86Å; Q226-S230 PolarHBondContact O-OG 2.78Å
227H95.6Very high92.6Very high45 Ų4538.4 Ų38.421%0.20821%0.211CC..Hα-helixtrans-67.8-48.7174.6-76.271000110.8L143 W164 Y223 V224 V225 D229 S230 W231L143-H227 HydrophobicContact CD2-CB 3.5Å; W164-H227 HydrophobicContact CH2-CB 4.44Å; W164-H227 HydrophobicContact CZ2-CB 3.68Å; W164-H227 WeakPolarHBondContact CZ2-O 3.45Å; W164-H227 AromaticContact NE1-CD2 3.65Å; Y223-H227 AromaticContact CD1-CE1 3.95Å; Y223-H227 AromaticContact CD1-ND1 3.88Å; Y223-H227 AromaticContact CD2-CE1 3.83Å; Y223-H227 AromaticContact CE1-CE1 3.43Å; Y223-H227 VanDerWaalsContact CE1-CE1 3.43Å; Y223-H227 WeakPolarHBondContact CE1-CE1 3.48Å; Y223-H227 AromaticContact CE1-ND1 3.72Å; Y223-H227 AromaticContact CE1-NE2 3.96Å; Y223-H227 AromaticContact CE2-CE1 3.32Å; Y223-H227 WeakPolarHBondContact CE2-CE1 3.48Å; Y223-H227 AromaticContact CZ-CE1 3.08Å; Y223-H227 AromaticContact CZ-ND1 3.84Å; Y223-H227 AromaticContact CZ-NE2 3.59Å; Y223-H227 PolarHBondContact O-N 2.94Å; Y223-H227 PolarHBondContact O-ND1 2.68Å; Y223-H227 PolarHBondContact OH-CE1 2.91Å; Y223-H227 PolarHBondContact OH-NE2 3.33Å; V224-H227 WeakPolarHBondContact O-CB 3.43Å; V224-H227 PolarHBondContact O-N 3.25Å; V225-H227 VanDerWaalsContact C-N 3.29Å; V225-H227 PolarHBondContact O-N 3.39Å; H227-D229 VanDerWaalsContact C-N 3.28Å; H227-D229 PolarHBondContact O-N 2.96Å; H227-S230 WeakPolarHBondContact O-CB 3.47Å; H227-S230 PolarHBondContact O-N 3.01Å; H227-W231 PolarHBondContact O-N 3.46Å
228L96.1Very high91.6Very high0 Ų041.7 Ų41.70%022%0.223CC..Hα-helixtrans-56.1-42.4176.1-74.9169.6000112.2I23 L40 V123 L125 L208 V224 V225 W231 L232 F234I23-L228 HydrophobicContact CD1-CD2 4.34Å; L40-L228 HydrophobicContact CD1-CD1 4.02Å; V123-L228 HydrophobicContact CG1-CD2 4.33Å; L125-L228 HydrophobicContact CD1-CD1 3.82Å; L125-L228 HydrophobicContact CD2-CD1 3.9Å; L125-L228 HydrophobicContact CD2-CD2 4.21Å; L125-L228 HydrophobicContact CG-CD1 4.49Å; L208-L228 HydrophobicContact CD2-CD2 3.66Å; L208-L228 HydrophobicContact CD2-CG 4.09Å; V224-L228 HydrophobicContact CG1-CD1 3.97Å; V224-L228 HydrophobicContact CG1-CG 4.42Å; V224-L228 WeakPolarHBondContact O-CG 3.28Å; V224-L228 PolarHBondContact O-N 3.36Å; V225-L228 PolarHBondContact O-N 3Å; L228-W231 HydrophobicContact CD2-CE3 4.39Å; L228-W231 PolarHBondContact O-N 3.43Å; L228-L232 HydrophobicContact CD2-CD1 4.5Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 2.58Å; L228-F234 HydrophobicContact CB-CE2 4.02Å
229D94.2Very high90.1Very high8 Ų842.7 Ų42.74%0.04324%0.24CC..Hα-helixtrans-67.5-35.5175.6178.374.3000112.7V225 H227 W231 Q233 F234 R235 W247V225-D229 WeakPolarHBondContact O-CB 3.31Å; V225-D229 PolarHBondContact O-N 3.31Å; H227-D229 VanDerWaalsContact C-N 3.28Å; H227-D229 PolarHBondContact O-N 2.96Å; D229-W231 PolarHBondContact O-N 3.42Å; D229-Q233 WeakPolarHBondContact O-CA 3.37Å; D229-Q233 PolarHBondContact O-N 2.94Å; D229-F234 HydrophobicContact CB-CD2 3.92Å; D229-F234 WeakPolarHBondContact OD1-CA 3.36Å; D229-F234 VanDerWaalsContact OD1-CB 3.31Å; D229-F234 WeakPolarHBondContact OD1-CB 3.39Å; D229-F234 PolarHBondContact OD1-N 3.27Å; D229-R235 PolarHBondContact OD1-N 2.84Å; D229-R235 IonicContact OD1-NE 2.69Å; D229-R235 IonicContact OD2-CZ 3.8Å; D229-R235 IonicContact OD2-NE 3.08Å; D229-R235 PolarHBondContact OD2-NE 3.27Å; D229-R235 IonicContact OD2-NH2 2.65Å; D229-R235 PolarHBondContact OD2-NH2 2.84Å; D229-W247 HydrophobicContact CB-CZ2 3.95Å
230S93Very high88.3Confident47 Ų4743.4 Ų43.433%0.32924%0.235SC..Hα-helixtrans-64.7-31.9174.9-59.90000112.5R158 Q226 H227R158-S230 PolarHBondContact NH2-O 2.85Å; Q226-S230 WeakPolarHBondContact O-CB 3.44Å; Q226-S230 PolarHBondContact O-N 2.86Å; Q226-S230 PolarHBondContact O-OG 2.78Å; H227-S230 WeakPolarHBondContact O-CB 3.47Å; H227-S230 PolarHBondContact O-N 3.01Å
231W93.6Very high86.2Confident15 Ų1551 Ų516%0.05727%0.266CS..Hα-helixtrans-81.3-56.8176.7-179.826.9000112.9V123 F151 L159 L162 W164 C206 H227 L228 D229V123-W231 HydrophobicContact CG1-CZ3 4.25Å; V123-W231 HydrophobicContact CG2-CH2 4.05Å; V123-W231 HydrophobicContact CG2-CZ3 3.83Å; F151-W231 HydrophobicContact CE1-CH2 4.18Å; F151-W231 AromaticContact CE1-CZ2 3.91Å; F151-W231 HydrophobicContact CE1-CZ2 3.91Å; F151-W231 HydrophobicContact CZ-CH2 4.42Å; L159-W231 HydrophobicContact CD1-CZ2 4.21Å; L159-W231 HydrophobicContact CD2-CD2 3.81Å; L159-W231 HydrophobicContact CD2-CE3 4.35Å; L159-W231 HydrophobicContact CD2-CG 3.97Å; L159-W231 HydrophobicContact CD2-CZ2 4.29Å; L162-W231 HydrophobicContact CD1-CB 3.86Å; L162-W231 HydrophobicContact CD1-CG 4.45Å; W164-W231 HydrophobicContact CH2-CB 4.06Å; W164-W231 HydrophobicContact CH2-CD2 4.18Å; W164-W231 AromaticContact CH2-CE3 3.62Å; W164-W231 HydrophobicContact CH2-CE3 3.62Å; W164-W231 HydrophobicContact CH2-CG 4.4Å; W164-W231 HydrophobicContact CH2-CZ3 4.39Å; W164-W231 HydrophobicContact CZ2-CB 3.94Å; W164-W231 HydrophobicContact CZ3-CD2 4.44Å; W164-W231 AromaticContact CZ3-CE3 3.85Å; W164-W231 HydrophobicContact CZ3-CE3 3.85Å; W164-W231 HydrophobicContact CZ3-CZ3 4.24Å; C206-W231 HydrophobicContact CB-CH2 3.99Å; H227-W231 PolarHBondContact O-N 3.46Å; L228-W231 HydrophobicContact CD2-CE3 4.39Å; L228-W231 PolarHBondContact O-N 3.43Å; D229-W231 PolarHBondContact O-N 3.42Å
232L92.9Very high83.8Confident20 Ų2056.1 Ų56.111%0.10529%0.293CS..Hα-helixtrans-91.2-5.6-172.4-61.9174000113.5I23 L228 F234 Q237I23-L232 HydrophobicContact CD1-CD1 3.94Å; L228-L232 HydrophobicContact CD2-CD1 4.5Å; L228-L232 WeakPolarHBondContact O-CB 3.34Å; L228-L232 PolarHBondContact O-N 2.58Å; L232-F234 HydrophobicContact CB-CD1 3.96Å; L232-F234 HydrophobicContact CB-CE1 3.36Å; L232-F234 HydrophobicContact CB-CE2 4.39Å; L232-F234 HydrophobicContact CB-CZ 3.64Å; L232-F234 HydrophobicContact CD1-CE1 3.75Å; L232-F234 HydrophobicContact CD1-CZ 3.49Å; L232-F234 VanDerWaalsContact CD1-CZ 3.49Å; L232-F234 HydrophobicContact CG-CE1 4.2Å; L232-F234 HydrophobicContact CG-CZ 4.18Å; L232-F234 PolarHBondContact O-N 2.88Å; L232-Q237 PolarHBondContact O-NE2 3.3Å
233Q90.4Very high81.6Confident95 Ų9559 Ų5944%0.44431%0.313SS..  trans59.438.2169.9-56.1-172-46.900114.7D229 R235 A236 Q237D229-Q233 WeakPolarHBondContact O-CA 3.37Å; D229-Q233 PolarHBondContact O-N 2.94Å; Q233-R235 VanDerWaalsContact C-N 3.3Å; Q233-R235 PolarHBondContact O-N 3.47Å; Q233-A236 HydrophobicContact CB-CB 4.1Å; Q233-A236 PolarHBondContact O-N 3.47Å; Q233-A236 VanDerWaalsContact O-N 3.15Å; Q233-Q237 WeakPolarHBondContact O-CG 3.27Å; Q233-Q237 PolarHBondContact O-N 3.32Å; Q233-Q237 VanDerWaalsContact O-N 3.12Å
234F87.4Confident79.3Confident2 Ų260.9 Ų60.91%0.00933%0.328CS..Hα-helixtrans-54.5-43.6-176.7-49.1-49.7000112.6L40 L44 L87 L89 L228 D229 L232 W247L40-F234 HydrophobicContact CD2-CD2 4.1Å; L40-F234 HydrophobicContact CD2-CE2 3.64Å; L40-F234 HydrophobicContact CD2-CZ 4.46Å; L44-F234 HydrophobicContact CD1-CB 4.17Å; L44-F234 HydrophobicContact CD1-CD1 4.44Å; L44-F234 HydrophobicContact CD1-CD2 3.95Å; L44-F234 HydrophobicContact CD1-CE2 4.4Å; L44-F234 HydrophobicContact CD1-CG 3.95Å; L44-F234 HydrophobicContact CD2-CB 3.99Å; L87-F234 HydrophobicContact CD1-CB 4.29Å; L87-F234 WeakPolarHBondContact CD2-O 3.38Å; L89-F234 HydrophobicContact CD1-CE1 3.74Å; L89-F234 HydrophobicContact CD1-CZ 4Å; L89-F234 HydrophobicContact CD2-CD1 4.13Å; L89-F234 HydrophobicContact CD2-CE1 3.76Å; L89-F234 HydrophobicContact CD2-CZ 4.01Å; L89-F234 HydrophobicContact CG-CE1 4.26Å; L228-F234 HydrophobicContact CB-CE2 4.02Å; D229-F234 HydrophobicContact CB-CD2 3.92Å; D229-F234 WeakPolarHBondContact OD1-CA 3.36Å; D229-F234 VanDerWaalsContact OD1-CB 3.31Å; D229-F234 WeakPolarHBondContact OD1-CB 3.39Å; D229-F234 PolarHBondContact OD1-N 3.27Å; L232-F234 HydrophobicContact CB-CD1 3.96Å; L232-F234 HydrophobicContact CB-CE1 3.36Å; L232-F234 HydrophobicContact CB-CE2 4.39Å; L232-F234 HydrophobicContact CB-CZ 3.64Å; L232-F234 HydrophobicContact CD1-CE1 3.75Å; L232-F234 HydrophobicContact CD1-CZ 3.49Å; L232-F234 VanDerWaalsContact CD1-CZ 3.49Å; L232-F234 HydrophobicContact CG-CE1 4.2Å; L232-F234 HydrophobicContact CG-CZ 4.18Å; L232-F234 PolarHBondContact O-N 2.88Å; F234-W247 HydrophobicContact CD2-CH2 4.45Å
235R80.6Confident77.4Confident66 Ų6662 Ų6225%0.24933%0.333CS..Hα-helixtrans-68.2-41178.1-71.4-177.5-65.8-177.1-3.3113.3D229 Q233 Q237 R238 L245D229-R235 PolarHBondContact OD1-N 2.84Å; D229-R235 IonicContact OD1-NE 2.69Å; D229-R235 IonicContact OD2-CZ 3.8Å; D229-R235 IonicContact OD2-NE 3.08Å; D229-R235 PolarHBondContact OD2-NE 3.27Å; D229-R235 IonicContact OD2-NH2 2.65Å; D229-R235 PolarHBondContact OD2-NH2 2.84Å; Q233-R235 VanDerWaalsContact C-N 3.3Å; Q233-R235 PolarHBondContact O-N 3.47Å; R235-Q237 VanDerWaalsContact C-N 3.28Å; R235-Q237 PolarHBondContact O-N 3.48Å; R235-R238 PolarHBondContact O-N 2.75Å; R235-L245 HydrophobicContact CG-CB 3.77Å; R235-L245 HydrophobicContact CG-CD1 3.93Å; R235-L245 HydrophobicContact CG-CG 4.39Å
236A79.5Confident76.6Confident68 Ų6867.6 Ų67.656%0.56236%0.364SS*.Hα-helixtrans-65.7-35.2-178.600000111.6Q233 R238 G239Q233-A236 HydrophobicContact CB-CB 4.1Å; Q233-A236 PolarHBondContact O-N 3.47Å; Q233-A236 VanDerWaalsContact O-N 3.15Å; A236-R238 VanDerWaalsContact C-N 3.28Å; A236-R238 PolarHBondContact O-N 3.05Å; A236-G239 PolarHBondContact O-N 3.22Å; A236-G239 VanDerWaalsContact O-N 3.17Å
237Q77.2Confident76.3Confident89 Ų8965 Ų6542%0.41635%0.35SS..Hα-helixtrans-63.9-30177.2-69.3-179.447.900113L87 L232 Q233 R235 G239L87-Q237 HydrophobicContact CD2-CB 3.75Å; L232-Q237 PolarHBondContact O-NE2 3.3Å; Q233-Q237 WeakPolarHBondContact O-CG 3.27Å; Q233-Q237 PolarHBondContact O-N 3.32Å; Q233-Q237 VanDerWaalsContact O-N 3.12Å; R235-Q237 VanDerWaalsContact C-N 3.28Å; R235-Q237 PolarHBondContact O-N 3.48Å; Q237-G239 PolarHBondContact O-N 3.38Å
238R73.8Confident76.1Confident71 Ų7165.7 Ų65.727%0.26836%0.36SS..THydrogen-bonded Turntrans-78.40.7176-69.9-167.7152.6162.61.2114.7N43 L44 E86 L87 R235 A236 V240N43-R238 PolarHBondContact O-NH1 2.82Å; L44-R238 PolarHBondContact O-NH2 3.03Å; E86-R238 IonicContact OE2-CZ 3.11Å; E86-R238 IonicContact OE2-NE 3.59Å; E86-R238 PolarHBondContact OE2-NE 3.27Å; E86-R238 IonicContact OE2-NH2 3.55Å; E86-R238 PolarHBondContact OE2-NH2 3.04Å; L87-R238 HydrophobicContact CD2-CG 4.13Å; R235-R238 PolarHBondContact O-N 2.75Å; A236-R238 VanDerWaalsContact C-N 3.28Å; A236-R238 PolarHBondContact O-N 3.05Å; R238-V240 HydrophobicContact CB-CG2 3.82Å; R238-V240 PolarHBondContact O-N 2.87Å; R238-V240 VanDerWaalsContact O-N 3.16Å
239G65Low75.9Confident61 Ų6171.1 Ų71.163%0.62939%0.388SS*.THydrogen-bonded Turntrans66.415-177.400000114A236 Q237 K241A236-G239 PolarHBondContact O-N 3.22Å; A236-G239 VanDerWaalsContact O-N 3.17Å; Q237-G239 PolarHBondContact O-N 3.38Å; G239-K241 PolarHBondContact O-N 3.32Å
240V57.3Low75.9Confident60 Ų6070.8 Ų70.836%0.36439%0.386SS..  trans-75.892.4-178.5171.90000108.2R238 N242R238-V240 HydrophobicContact CB-CG2 3.82Å; R238-V240 PolarHBondContact O-N 2.87Å; R238-V240 VanDerWaalsContact O-N 3.16Å; V240-N242 WeakPolarHBondContact CG1-O 3.48Å; V240-N242 PolarHBondContact O-N 3.28Å
241K52.9Low75.8Confident207 Ų20769.7 Ų69.790%0.938%0.378SS*.  trans-66.7-25.1174.7-69.3-174179.8-1790112.9G239G239-K241 PolarHBondContact O-N 3.32Å
242N46Very low75.7Confident109 Ų10971.4 Ų71.458%0.58339%0.393SS*.SBendtrans-87.9128.3176.2-81.7-13000108.9V240 N244V240-N242 WeakPolarHBondContact CG1-O 3.48Å; V240-N242 PolarHBondContact O-N 3.28Å; N242-N244 HydrophobicContact CB-CB 4.3Å; N242-N244 PolarHBondContact O-N 2.91Å
243T51.1Low75.7Confident115 Ų11571.6 Ų71.671%0.70639%0.392SS*.SBendtrans-55.15173.1470000115.9L245T243-L245 VanDerWaalsContact C-N 3.27Å; T243-L245 PolarHBondContact O-N 3.12Å; T243-L245 VanDerWaalsContact O-N 3.15Å
244N47.7Very low75.6Confident112 Ų11271 Ų7160%0.59940%0.398SS*.  trans-77.213.8-171-63.49.4000115.6N242 D246N242-N244 HydrophobicContact CB-CB 4.3Å; N242-N244 PolarHBondContact O-N 2.91Å; N244-D246 PolarHBondContact O-N 3.23Å
245L59.5Low75.4Confident28 Ų2879.8 Ų79.815%0.14743%0.432CS..  trans-7671.4156.5-121.8152.4000106N43 R235 T243 W247N43-L245 HydrophobicContact CB-CD2 4.14Å; R235-L245 HydrophobicContact CG-CB 3.77Å; R235-L245 HydrophobicContact CG-CD1 3.93Å; R235-L245 HydrophobicContact CG-CG 4.39Å; T243-L245 VanDerWaalsContact C-N 3.27Å; T243-L245 PolarHBondContact O-N 3.12Å; T243-L245 VanDerWaalsContact O-N 3.15Å; L245-W247 PolarHBondContact O-N 3.42Å
246D79.6Confident75.6Confident119 Ų11980.2 Ų80.264%0.63644%0.439SS*.  trans-66.6115.7167.2-74-25.4000105.4N244 S248N244-D246 PolarHBondContact O-N 3.23Å; D246-S248 VanDerWaalsContact C-N 3.3Å; D246-S248 PolarHBondContact O-N 2.8Å; D246-S248 PolarHBondContact O-OG 2.8Å
247W89Confident75.8Confident28 Ų2881.6 Ų81.611%0.10643%0.433CS..  trans-5998175.8-66.2101.6000108.5L39 L40 N43 L44 L222 V225 D229 F234 L245L39-W247 HydrophobicContact CB-CE3 4.47Å; L40-W247 HydrophobicContact CD2-CH2 3.89Å; L40-W247 HydrophobicContact CD2-CZ3 4.07Å; N43-W247 HydrophobicContact CB-CE3 3.56Å; N43-W247 HydrophobicContact CB-CZ3 3.7Å; L44-W247 HydrophobicContact CD2-CH2 4.06Å; L44-W247 HydrophobicContact CD2-CZ3 4.32Å; L44-W247 HydrophobicContact CG-CH2 4.32Å; L44-W247 HydrophobicContact CG-CZ3 4.29Å; L222-W247 HydrophobicContact CD1-CB 3.43Å; L222-W247 VanDerWaalsContact CD1-CB 3.43Å; L222-W247 HydrophobicContact CD1-CG 3.65Å; V225-W247 HydrophobicContact CG1-CD2 3.41Å; V225-W247 VanDerWaalsContact CG1-CD2 3.41Å; V225-W247 HydrophobicContact CG1-CE3 3.42Å; V225-W247 VanDerWaalsContact CG1-CE3 3.42Å; V225-W247 HydrophobicContact CG1-CG 4.25Å; V225-W247 HydrophobicContact CG1-CH2 3.32Å; V225-W247 HydrophobicContact CG1-CZ2 3.3Å; V225-W247 HydrophobicContact CG1-CZ3 3.37Å; D229-W247 HydrophobicContact CB-CZ2 3.95Å; F234-W247 HydrophobicContact CD2-CH2 4.45Å; L245-W247 PolarHBondContact O-N 3.42Å
248S91.7Very high76Confident59 Ų5979.6 Ų79.641%0.41344%0.436SS..PPolyproline II helixtrans-78.1141.2-177.9-62.70000109.2Y42 N43 D246Y42-S248 WeakPolarHBondContact CD1-O 2.88Å; N43-S248 PolarHBondContact ND2-N 3.26Å; N43-S248 PolarHBondContact ND2-O 2.92Å; N43-S248 WeakPolarHBondContact OD1-CB 3.38Å; N43-S248 PolarHBondContact OD1-N 2.8Å; D246-S248 VanDerWaalsContact C-N 3.3Å; D246-S248 PolarHBondContact O-N 2.8Å; D246-S248 PolarHBondContact O-OG 2.8Å
249I92.1Very high75.8Confident114 Ų11481.9 Ų81.959%0.58546%0.458SS*.PPolyproline II helixtrans-72.5126.7178.7-65173.3000108.6W253I249-W253 HydrophobicContact CG2-CB 3.42Å; I249-W253 VanDerWaalsContact CG2-CB 3.42Å; I249-W253 HydrophobicContact CG2-CD2 4.08Å; I249-W253 HydrophobicContact CG2-CE3 3.78Å; I249-W253 HydrophobicContact CG2-CG 4Å
250P93.5Very high76Confident1 Ų186 Ų861%0.00647%0.465CS..PPolyproline II helixtrans-60.6146.3175.6-22.933.5000111.6D38 Y42 Y66 S252 W253D38-P250 HydrophobicContact CB-CG 4.17Å; Y42-P250 HydrophobicContact CD1-CB 4.17Å; Y42-P250 HydrophobicContact CD1-CG 4Å; Y42-P250 HydrophobicContact CG-CB 4.11Å; Y42-P250 HydrophobicContact CG-CG 4.08Å; Y66-P250 HydrophobicContact CD1-CB 4.25Å; P250-S252 PolarHBondContact O-N 3.4Å; P250-W253 WeakPolarHBondContact O-CB 3.37Å; P250-W253 PolarHBondContact O-N 3.06Å
251P91.6Very high76.5Confident25 Ų2587.3 Ų87.316%0.16248%0.475CS..G310 helixtrans-53.7-33.3179.6-29.435.8000114.7L68 W253 S254L68-P251 HydrophobicContact CD2-CB 3.66Å; L68-P251 HydrophobicContact CD2-CG 3.88Å; L68-P251 HydrophobicContact CG-CB 4.3Å; L68-P251 HydrophobicContact CG-CG 3.99Å; P251-W253 PolarHBondContact O-N 3.03Å; P251-W253 VanDerWaalsContact O-N 3.15Å; P251-S254 WeakPolarHBondContact O-CB 3.26Å; P251-S254 PolarHBondContact O-N 3.05Å; P251-S254 PolarHBondContact O-OG 2.93Å
252S91.2Very high77.6Confident51 Ų5180.9 Ų80.936%0.35745%0.453SS..G310 helixtrans-60.4-20.2177.358.50000114.3P65 P250 S254P65-S252 VanDerWaalsContact CB-CB 3.49Å; P65-S252 WeakPolarHBondContact CB-OG 3.25Å; P65-S252 WeakPolarHBondContact O-CB 3.48Å; P65-S252 PolarHBondContact O-N 3.47Å; P65-S252 PolarHBondContact O-OG 3.3Å; P250-S252 PolarHBondContact O-N 3.4Å; S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 2.97Å
253W92.9Very high79Confident24 Ų2482.5 Ų82.59%0.09146%0.462CS..G310 helixtrans-81.5-8.9-178.4-71.822.4000113.7L35 D38 L39 A221 I249 P250 P251 Y255 L256L35-W253 HydrophobicContact CB-CH2 3.91Å; L35-W253 HydrophobicContact CB-CZ2 3.61Å; L35-W253 HydrophobicContact CD2-CH2 4.26Å; L35-W253 HydrophobicContact CD2-CZ2 3.53Å; L35-W253 HydrophobicContact CG-CZ2 4.13Å; L35-W253 VanDerWaalsContact O-CZ2 3.32Å; L35-W253 WeakPolarHBondContact O-CZ2 3.31Å; D38-W253 HydrophobicContact CB-CZ2 4.07Å; D38-W253 PolarHBondContact OD2-NE1 3.45Å; L39-W253 HydrophobicContact CD1-CH2 3.79Å; L39-W253 HydrophobicContact CD1-CZ3 4.45Å; L39-W253 HydrophobicContact CD2-CH2 3.99Å; L39-W253 HydrophobicContact CD2-CZ3 4.24Å; L39-W253 HydrophobicContact CG-CH2 3.64Å; L39-W253 HydrophobicContact CG-CZ2 4.05Å; L39-W253 HydrophobicContact CG-CZ3 4.35Å; A221-W253 HydrophobicContact CB-CH2 4.12Å; I249-W253 HydrophobicContact CG2-CB 3.42Å; I249-W253 VanDerWaalsContact CG2-CB 3.42Å; I249-W253 HydrophobicContact CG2-CD2 4.08Å; I249-W253 HydrophobicContact CG2-CE3 3.78Å; I249-W253 HydrophobicContact CG2-CG 4Å; P250-W253 WeakPolarHBondContact O-CB 3.37Å; P250-W253 PolarHBondContact O-N 3.06Å; P251-W253 PolarHBondContact O-N 3.03Å; P251-W253 VanDerWaalsContact O-N 3.15Å; W253-Y255 PolarHBondContact O-N 3.07Å; W253-L256 HydrophobicContact CB-CB 4.4Å; W253-L256 HydrophobicContact CB-CD2 4.42Å; W253-L256 HydrophobicContact CD2-CD2 4.04Å; W253-L256 HydrophobicContact CG-CD2 3.92Å; W253-L256 WeakPolarHBondContact O-CB 3.28Å; W253-L256 PolarHBondContact O-N 3.07Å
254S88.1Confident80.5Confident81 Ų8185.4 Ų85.457%0.56647%0.467SS*.G310 helixtrans-53.5-20.8-174.7-54.80000115.3P251 S252P251-S254 WeakPolarHBondContact O-CB 3.26Å; P251-S254 PolarHBondContact O-N 3.05Å; P251-S254 PolarHBondContact O-OG 2.93Å; S252-S254 VanDerWaalsContact C-N 3.31Å; S252-S254 PolarHBondContact O-N 2.97Å
255Y83.7Confident81.8Confident188 Ų18886.8 Ų86.874%0.73747%0.474SS*.G310 helixtrans-13311.3177.6-59.8-77000113.2W253 F257 G258W253-Y255 PolarHBondContact O-N 3.07Å; Y255-F257 VanDerWaalsContact C-N 3.28Å; Y255-F257 PolarHBondContact O-N 2.98Å; Y255-G258 PolarHBondContact O-N 2.77Å
256L85Confident82.5Confident75 Ų7597.1 Ų97.139%0.39351%0.513SS..THydrogen-bonded Turntrans-58.9-38.6-167.3177.465.6000113.1L35 W253L35-L256 HydrophobicContact CD2-CD2 3.44Å; L35-L256 VanDerWaalsContact CD2-CD2 3.44Å; W253-L256 HydrophobicContact CB-CB 4.4Å; W253-L256 HydrophobicContact CB-CD2 4.42Å; W253-L256 HydrophobicContact CD2-CD2 4.04Å; W253-L256 HydrophobicContact CG-CD2 3.92Å; W253-L256 WeakPolarHBondContact O-CB 3.28Å; W253-L256 PolarHBondContact O-N 3.07Å
257F82.9Confident82.7Confident97 Ų9796 Ų9643%0.42551%0.506SS..THydrogen-bonded Turntrans-116.819.4179.6-62-67.3000112.7L35 G215 D216 Y255L35-F257 HydrophobicContact CD1-CE2 4.38Å; L35-F257 HydrophobicContact CD1-CZ 4.04Å; G215-F257 VanDerWaalsContact O-CE1 3.32Å; G215-F257 WeakPolarHBondContact O-CE1 2.86Å; D216-F257 HydrophobicContact CB-CB 4.4Å; D216-F257 HydrophobicContact CB-CD1 4.31Å; D216-F257 HydrophobicContact CB-CD2 4.05Å; D216-F257 HydrophobicContact CB-CE2 4.39Å; D216-F257 HydrophobicContact CB-CG 4Å; D216-F257 WeakPolarHBondContact OD1-CD2 3.27Å; D216-F257 WeakPolarHBondContact OD1-CE2 3.28Å; Y255-F257 VanDerWaalsContact C-N 3.28Å; Y255-F257 PolarHBondContact O-N 2.98Å
258G80.7Confident82.3Confident47 Ų4799.6 Ų99.649%0.48553%0.528SS..  trans89.9-160.9-17400000113Y255Y255-G258 PolarHBondContact O-N 2.77Å
259T69.8Low81.8Confident118 Ų118101.8 Ų101.872%0.72453%0.534SS*.SBendtrans-94158.1173.854.20000110.3
260D69.9Low81.2Confident148 Ų148101.1 Ų101.179%0.79153%0.531SS*.PPolyproline II helixtrans-48143.3169.9-68.7-36.5000110.7V262D260-V262 PolarHBondContact O-N 3.09Å
261P68.4Low80.4Confident87 Ų87107.4 Ų107.457%0.56556%0.564SS**PPolyproline II helixtrans-54.1136.7173.221.1-30000109.5N263 Y266P261-N263 PolarHBondContact O-N 3.12Å; P261-Y266 HydrophobicContact CB-CE2 4.4Å
262V74.5Confident79.7Confident72 Ų72112.9 Ų112.944%0.43659%0.59SS.*  trans-65.5110.8177-1710000107.2D260 E264 L265D260-V262 PolarHBondContact O-N 3.09Å; V262-E264 HydrophobicContact CG1-CB 3.94Å; V262-E264 HydrophobicContact CG1-CG 4.24Å; V262-E264 WeakPolarHBondContact CG1-OE2 3.19Å; V262-E264 PolarHBondContact O-N 2.84Å; V262-L265 HydrophobicContact CB-CD1 4.06Å; V262-L265 HydrophobicContact CB-CG 4.24Å; V262-L265 HydrophobicContact CG2-CD1 4.45Å; V262-L265 PolarHBondContact O-N 3.27Å
263N76.2Confident78.9Confident144 Ų144117.3 Ų117.377%0.7761%0.607SS**G310 helixtrans-55.8-20.8-179-76.2-34.2000113P261 L265P261-N263 PolarHBondContact O-N 3.12Å; N263-L265 VanDerWaalsContact C-N 3.27Å; N263-L265 PolarHBondContact O-N 3.21Å
264E81.8Confident77.8Confident175 Ų175124.5 Ų124.582%0.81865%0.647SS**G310 helixtrans-75.6-9.4179.5-58.8150.2-176.600113.9V262 Y266V262-E264 HydrophobicContact CG1-CB 3.94Å; V262-E264 HydrophobicContact CG1-CG 4.24Å; V262-E264 WeakPolarHBondContact CG1-OE2 3.19Å; V262-E264 PolarHBondContact O-N 2.84Å; E264-Y266 VanDerWaalsContact C-N 3.35Å
265L76.8Confident76.9Confident141 Ų141128.1 Ų128.174%0.73865%0.654SS**G310 helixtrans-86.4-3.2177.8-72.2171000113.8V262 N263V262-L265 HydrophobicContact CB-CD1 4.06Å; V262-L265 HydrophobicContact CB-CG 4.24Å; V262-L265 HydrophobicContact CG2-CD1 4.45Å; V262-L265 PolarHBondContact O-N 3.27Å; N263-L265 VanDerWaalsContact C-N 3.27Å; N263-L265 PolarHBondContact O-N 3.21Å
266Y73.4Confident76.3Confident245 Ų245122.6 Ų122.696%0.96165%0.646SS**  trans-125.40179.8-60.3-80.3000111P261 E264P261-Y266 HydrophobicContact CB-CE2 4.4Å; E264-Y266 VanDerWaalsContact C-N 3.35Å

Retrieved 266 of 266 residues in 744.1 ms (Link to these results)

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