A0A087YH76_POEFO Loading...

Zinc finger CCCH-type, RNA binding motif and serine/arginine rich 2

AlphaFold DB , UniProt , Accession A0A087YH76, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 449 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.8Very low46.6Very low248 Ų248136.8 Ų136.8100%1.22280%0.803SS**  0135.90-71.2157.4170.600107.5
2N41.4Very low47.3Very low150 Ų150140.4 Ų140.480%0.80281%0.806SS**PPolyproline II helixtrans-103.6125.7175.6-168.239.4000107.3E4N2-E4 PolarHBondContact O-N 3.39Å
3P51.8Low47.9Very low112 Ų112133.2 Ų133.273%0.72776%0.763SS**PPolyproline II helixtrans-69.2126.4-179.527.8-33.4000110.3
4E49.3Very low48.3Very low192 Ų192132.1 Ų132.190%0.89775%0.746SS**PPolyproline II helixtrans-69.6134.4174.6-67.7-176.8110.400110.4N2N2-E4 PolarHBondContact O-N 3.39Å
5A38.6Very low48.9Very low90 Ų90124 Ų12474%0.74470%0.704SS**PPolyproline II helixtrans-72.8142.6175.100000110.3A7A5-A7 PolarHBondContact O-N 3.37Å
6P49.3Very low49.5Very low116 Ų116119.6 Ų119.675%0.75368%0.68SS**PPolyproline II helixtrans-63.6131.6-176.625.9-34.5000111.4M8P6-M8 VanDerWaalsContact C-N 3.31Å; P6-M8 PolarHBondContact O-N 3.36Å
7A48.8Very low50.1Low97 Ų97119.8 Ų119.880%0.80267%0.674SS**  trans-70.982.8177.500000111.1A5 T9A5-A7 PolarHBondContact O-N 3.37Å; A7-T9 PolarHBondContact O-N 2.96Å; A7-T9 VanDerWaalsContact O-N 3.11Å
8M43.7Very low50.2Low158 Ų158124.5 Ų124.578%0.77868%0.679SS**  trans-63.2112.8172.1-67.7-160.1-62.100109.8P6 N10P6-M8 VanDerWaalsContact C-N 3.31Å; P6-M8 PolarHBondContact O-N 3.36Å; M8-N10 PolarHBondContact O-N 2.85Å
9T51.4Low50.9Low135 Ų135118.8 Ų118.883%0.82865%0.648SS**  trans-73.986.3177.8510000110A7 S11A7-T9 PolarHBondContact O-N 2.96Å; A7-T9 VanDerWaalsContact O-N 3.11Å; T9-S11 PolarHBondContact O-N 3.48Å
10N46.6Very low51.5Low100 Ų100119.1 Ų119.154%0.53565%0.654SS.*  trans-66.676.4177.9-84.122.1000112.4M8 E12 N13M8-N10 PolarHBondContact O-N 2.85Å; N10-E12 PolarHBondContact O-N 3.11Å; N10-E12 VanDerWaalsContact O-N 3.09Å; N10-N13 PolarHBondContact ND2-OD1 3.12Å; N10-N13 PolarHBondContact O-N 2.81Å
11S53.6Low52.7Low107 Ų107116.5 Ų116.575%0.74865%0.648SS**G310 helixtrans-58-21174.8-168.50000112.9T9 N13T9-S11 PolarHBondContact O-N 3.48Å; S11-N13 VanDerWaalsContact C-N 3.28Å; S11-N13 PolarHBondContact O-N 3.38Å
12E55.4Low54.9Low180 Ų180105.2 Ų105.284%0.84159%0.593SS**G310 helixtrans-71.9-14-179.1-55.1-168.4131.800114.4N10N10-E12 PolarHBondContact O-N 3.11Å; N10-E12 VanDerWaalsContact O-N 3.09Å
13N54.9Low57Low46 Ų4698.3 Ų98.325%0.24656%0.556CS.*G310 helixtrans-102.6-8.8-175.1-68.4122.8000115.1N10 S11 G15 T16N10-N13 PolarHBondContact ND2-OD1 3.12Å; N10-N13 PolarHBondContact O-N 2.81Å; S11-N13 VanDerWaalsContact C-N 3.28Å; S11-N13 PolarHBondContact O-N 3.38Å; N13-G15 PolarHBondContact O-N 3.11Å; N13-T16 WeakPolarHBondContact O-CB 3.44Å; N13-T16 WeakPolarHBondContact O-CG2 3.3Å; N13-T16 PolarHBondContact O-N 3.14Å; N13-T16 PolarHBondContact O-OG1 3.08Å
14F53.6Low58.6Low118 Ų11893.2 Ų93.252%0.51852%0.523SS..THydrogen-bonded Turntrans-53.8122.4-171.3-168.5-95000112.7T16 D19 N22 L27 M43F14-T16 VanDerWaalsContact C-N 3.27Å; F14-T16 PolarHBondContact O-N 3.5Å; F14-D19 WeakPolarHBondContact CA-OD2 3.45Å; F14-N22 WeakPolarHBondContact CE2-ND2 3.12Å; F14-L27 HydrophobicContact CD1-CD2 3.91Å; F14-L27 HydrophobicContact CE1-CD1 4.15Å; F14-L27 HydrophobicContact CE1-CD2 3.69Å; F14-M43 HydrophobicContact CE2-SD 4.34Å; F14-M43 HydrophobicContact CZ-SD 4.24Å
15G56.7Low60.4Low11 Ų1187.1 Ų87.111%0.11349%0.494CS..THydrogen-bonded Turntrans77.20.1179.100000116.5N13 D19 L27N13-G15 PolarHBondContact O-N 3.11Å; G15-D19 PolarHBondContact N-OD2 2.97Å; G15-L27 VanDerWaalsContact CA-CD2 3.41Å
16T58.7Low62.7Low54 Ų5483.1 Ų83.133%0.33146%0.459SS..SBendtrans-79.6166.516971.10000110.6N13 F14 R18 D19N13-T16 WeakPolarHBondContact O-CB 3.44Å; N13-T16 WeakPolarHBondContact O-CG2 3.3Å; N13-T16 PolarHBondContact O-N 3.14Å; N13-T16 PolarHBondContact O-OG1 3.08Å; F14-T16 VanDerWaalsContact C-N 3.27Å; F14-T16 PolarHBondContact O-N 3.5Å; T16-R18 PolarHBondContact O-N 3.36Å; T16-R18 PolarHBondContact OG1-N 2.6Å; T16-D19 WeakPolarHBondContact O-CB 3.32Å; T16-D19 PolarHBondContact O-N 3.38Å
17E60Low64.5Low123 Ų12379.6 Ų79.658%0.57543%0.434SS*.THydrogen-bonded Turntrans-66.9-16175.9-78.5151.9-137.600113.6D19 P24 K28 R40E17-D19 VanDerWaalsContact C-N 3.32Å; E17-P24 HydrophobicContact CG-CB 4.13Å; E17-P24 HydrophobicContact CG-CG 4.1Å; E17-K28 IonicContact OE1-NZ 3.51Å; E17-K28 PolarHBondContact OE1-NZ 3.48Å; E17-R40 PolarHBondContact O-NH1 3.37Å
18R52.5Low66.2Low204 Ų20476.9 Ų76.977%0.7740%0.404SS*.THydrogen-bonded Turntrans-80.3-9.4171.7-57.8-178.5-179.2-177.8-0.1113.2T16 V20T16-R18 PolarHBondContact O-N 3.36Å; T16-R18 PolarHBondContact OG1-N 2.6Å; R18-V20 PolarHBondContact O-N 3.12Å; R18-V20 VanDerWaalsContact O-N 3.11Å
19D62.5Low68.2Low16 Ų1669.3 Ų69.39%0.08637%0.367CS..  trans-69103.4168.2-165.9-27.8000108.7F14 G15 T16 E17 A21 N22 R40F14-D19 WeakPolarHBondContact CA-OD2 3.45Å; G15-D19 PolarHBondContact N-OD2 2.97Å; T16-D19 WeakPolarHBondContact O-CB 3.32Å; T16-D19 PolarHBondContact O-N 3.38Å; E17-D19 VanDerWaalsContact C-N 3.32Å; D19-A21 VanDerWaalsContact C-N 3.35Å; D19-A21 PolarHBondContact OD1-N 2.93Å; D19-A21 VanDerWaalsContact OD1-N 3.13Å; D19-N22 PolarHBondContact OD1-N 2.81Å; D19-N22 WeakPolarHBondContact OD2-CB 3.45Å; D19-R40 PolarHBondContact O-NH1 2.81Å
20V64.3Low69.9Low125 Ų12563 Ų6376%0.75833%0.329SS*.SBendtrans-76.4-28.2-179.3-175.10000110.8R18R18-V20 PolarHBondContact O-N 3.12Å; R18-V20 VanDerWaalsContact O-N 3.11Å
21A75.5Confident71.9Confident64 Ų6458.6 Ų58.653%0.52931%0.306SS..SBendtrans-80.3-47.2-176.100000112D19 K41D19-A21 VanDerWaalsContact C-N 3.35Å; D19-A21 PolarHBondContact OD1-N 2.93Å; D19-A21 VanDerWaalsContact OD1-N 3.13Å; A21-K41 VanDerWaalsContact O-CB 3.32Å; A21-K41 WeakPolarHBondContact O-CB 3.38Å; A21-K41 PolarHBondContact O-N 3.37Å
22N83.6Confident73.6Confident12 Ų1254 Ų546%0.06427%0.274CS..BIsolated β-bridgetrans-100.1152.5-173.7-66.2-7.4000113F14 D19 P24 R40F14-N22 WeakPolarHBondContact CE2-ND2 3.12Å; D19-N22 PolarHBondContact OD1-N 2.81Å; D19-N22 WeakPolarHBondContact OD2-CB 3.45Å; N22-P24 VanDerWaalsContact O-CD 3.25Å; N22-P24 WeakPolarHBondContact O-CD 3.4Å; N22-R40 WeakPolarHBondContact O-CD 3.46Å
23C87.4Confident75.1Confident4 Ų451.8 Ų51.83%0.02726%0.258CS..  trans-77.9112177.3-178.90000110.9F25 F26 L27 R40 K41 H42C23-F25 VanDerWaalsContact C-N 3.25Å; C23-F25 PolarHBondContact O-N 2.83Å; C23-F26 HydrophobicContact CB-CB 3.82Å; C23-F26 PolarHBondContact O-N 2.93Å; C23-F26 PolarHBondContact SG-N 3.21Å; C23-F26 VanDerWaalsContact SG-N 3.44Å; C23-L27 PolarHBondContact O-N 2.99Å; C23-L27 VanDerWaalsContact O-N 3.09Å; C23-R40 HydrophobicContact CB-CB 3.96Å; C23-K41 PolarHBondContact N-O 2.76Å; C23-H42 WeakPolarHBondContact CB-CD2 3.01Å; C23-H42 PolarHBondContact SG-NE2 2.97Å
24P84.9Confident76.6Confident6 Ų655.2 Ų55.24%0.03927%0.27CS..Hα-helixtrans-69.9-23-177.429.4-36.4000112.4E17 N22 K28E17-P24 HydrophobicContact CG-CB 4.13Å; E17-P24 HydrophobicContact CG-CG 4.1Å; N22-P24 VanDerWaalsContact O-CD 3.25Å; N22-P24 WeakPolarHBondContact O-CD 3.4Å; P24-K28 VanDerWaalsContact O-CB 3.28Å; P24-K28 WeakPolarHBondContact O-CB 3.23Å; P24-K28 VanDerWaalsContact O-CD 3.24Å; P24-K28 WeakPolarHBondContact O-CD 3.42Å; P24-K28 WeakPolarHBondContact O-CG 3.35Å; P24-K28 PolarHBondContact O-N 3.46Å
25F86Confident78.1Confident64 Ų6450.6 Ų50.628%0.28126%0.256SS..Hα-helixtrans-71.3-52.8172.3-66.5-74.6000110.5C23 L27 K28 T29 A31 N178C23-F25 VanDerWaalsContact C-N 3.25Å; C23-F25 PolarHBondContact O-N 2.83Å; F25-L27 VanDerWaalsContact C-N 3.32Å; F25-L27 PolarHBondContact O-N 2.9Å; F25-K28 PolarHBondContact O-N 3.26Å; F25-T29 PolarHBondContact O-N 2.94Å; F25-T29 PolarHBondContact O-OG1 3.49Å; F25-A31 CarbonylContact C-O 3.58Å; F25-N178 HydrophobicContact CD1-CB 3.77Å; F25-N178 HydrophobicContact CE1-CB 3.72Å
26F87.3Confident79.4Confident5 Ų557.1 Ų57.12%0.02229%0.289CS..Hα-helixtrans-57-42.7-180-176.3-90.8000112.5C23 K28 G30 C32 H42 Y44 P154C23-F26 HydrophobicContact CB-CB 3.82Å; C23-F26 PolarHBondContact O-N 2.93Å; C23-F26 PolarHBondContact SG-N 3.21Å; C23-F26 VanDerWaalsContact SG-N 3.44Å; F26-K28 PolarHBondContact O-N 2.97Å; F26-G30 VanDerWaalsContact CE2-O 3.24Å; F26-G30 WeakPolarHBondContact CE2-O 3.49Å; F26-G30 WeakPolarHBondContact O-CA 3.37Å; F26-G30 PolarHBondContact O-N 3.32Å; F26-C32 HydrophobicContact CB-CB 4.41Å; F26-H42 HydrophobicContact CD1-CB 3.93Å; F26-H42 HydrophobicContact CD2-CB 4.13Å; F26-H42 AromaticContact CD2-CG 3.76Å; F26-H42 AromaticContact CD2-ND1 3.77Å; F26-H42 HydrophobicContact CE1-CB 4.11Å; F26-H42 HydrophobicContact CE2-CB 4.3Å; F26-H42 HydrophobicContact CG-CB 3.95Å; F26-H42 AromaticContact CG-CD2 3.74Å; F26-H42 AromaticContact CG-CG 3.69Å; F26-H42 HydrophobicContact CZ-CB 4.3Å; F26-Y44 HydrophobicContact CE2-CD1 4.2Å; F26-Y44 AromaticContact CE2-CE1 3.56Å; F26-Y44 HydrophobicContact CE2-CE1 3.56Å; F26-Y44 HydrophobicContact CE2-CE2 4.18Å; F26-Y44 AromaticContact CE2-CZ 3.52Å; F26-Y44 AromaticContact CZ-CD1 3.62Å; F26-Y44 HydrophobicContact CZ-CD1 3.62Å; F26-Y44 HydrophobicContact CZ-CD2 4.14Å; F26-Y44 AromaticContact CZ-CE1 3.46Å; F26-Y44 HydrophobicContact CZ-CE1 3.46Å; F26-Y44 VanDerWaalsContact CZ-CE1 3.46Å; F26-Y44 AromaticContact CZ-CE2 3.99Å; F26-Y44 HydrophobicContact CZ-CE2 3.99Å; F26-Y44 AromaticContact CZ-CG 3.95Å; F26-Y44 HydrophobicContact CZ-CG 3.95Å; F26-Y44 AromaticContact CZ-CZ 3.63Å; F26-P154 HydrophobicContact CD1-CG 4.45Å; F26-P154 HydrophobicContact CE1-CG 3.95Å
27L86.6Confident80.7Confident42 Ų4265.3 Ų65.322%0.2231%0.314CS..Hα-helixtrans-70.4-30.1178.2-157.581.3000113.1F14 G15 C23 F25 P154F14-L27 HydrophobicContact CD1-CD2 3.91Å; F14-L27 HydrophobicContact CE1-CD1 4.15Å; F14-L27 HydrophobicContact CE1-CD2 3.69Å; G15-L27 VanDerWaalsContact CA-CD2 3.41Å; C23-L27 PolarHBondContact O-N 2.99Å; C23-L27 VanDerWaalsContact O-N 3.09Å; F25-L27 VanDerWaalsContact C-N 3.32Å; F25-L27 PolarHBondContact O-N 2.9Å; L27-P154 HydrophobicContact CD1-CB 4.31Å
28K85.3Confident82Confident40 Ų4060.8 Ų60.817%0.17430%0.295CS..Hα-helixtrans-82.6-33.4179.4-71.2173-166.8179.20113.6E17 P24 F25 F26 V155 A161 F179E17-K28 IonicContact OE1-NZ 3.51Å; E17-K28 PolarHBondContact OE1-NZ 3.48Å; P24-K28 VanDerWaalsContact O-CB 3.28Å; P24-K28 WeakPolarHBondContact O-CB 3.23Å; P24-K28 VanDerWaalsContact O-CD 3.24Å; P24-K28 WeakPolarHBondContact O-CD 3.42Å; P24-K28 WeakPolarHBondContact O-CG 3.35Å; P24-K28 PolarHBondContact O-N 3.46Å; F25-K28 PolarHBondContact O-N 3.26Å; F26-K28 PolarHBondContact O-N 2.97Å; K28-V155 WeakPolarHBondContact O-CG2 3.4Å; K28-A161 WeakPolarHBondContact O-CA 3.34Å; K28-A161 WeakPolarHBondContact O-CB 3.44Å; K28-F179 HydrophobicContact CD-CE1 4.46Å
29T85.6Confident83.7Confident0 Ų056.9 Ų56.90%030%0.299CS..Hα-helixtrans-126.2-0.5-171.763.50000114.5F25 A31 Y122 V155 A161 L180F25-T29 PolarHBondContact O-N 2.94Å; F25-T29 PolarHBondContact O-OG1 3.49Å; T29-A31 PolarHBondContact O-N 2.92Å; T29-A31 PolarHBondContact OG1-O 2.93Å; T29-A31 VanDerWaalsContact OG1-O 3.07Å; T29-Y122 VanDerWaalsContact O-CE1 3.22Å; T29-Y122 WeakPolarHBondContact O-CE1 3.43Å; T29-Y122 PolarHBondContact O-OH 3.29Å; T29-V155 VanDerWaalsContact C-CG2 3.43Å; T29-A161 HydrophobicContact CG2-CB 4.43Å; T29-L180 HydrophobicContact CG2-CD2 4.22Å; T29-L180 HydrophobicContact CG2-CG 4.26Å
30G86.1Confident84.9Confident3 Ų360.2 Ų60.23%0.03131%0.31CS..SBendtrans70.91.9-17500000114.6F26F26-G30 VanDerWaalsContact CE2-O 3.24Å; F26-G30 WeakPolarHBondContact CE2-O 3.49Å; F26-G30 WeakPolarHBondContact O-CA 3.37Å; F26-G30 PolarHBondContact O-N 3.32Å
31A88.6Confident86Confident6 Ų660.4 Ų60.45%0.0530%0.301CS..  trans-145.4153.4-17300000111.8F25 T29 H116 L117F25-A31 CarbonylContact C-O 3.58Å; T29-A31 PolarHBondContact O-N 2.92Å; T29-A31 PolarHBondContact OG1-O 2.93Å; T29-A31 VanDerWaalsContact OG1-O 3.07Å; A31-H116 WeakPolarHBondContact CB-O 3.01Å; A31-L117 HydrophobicContact CB-CD2 3.68Å
32C90.1Very high86.6Confident11 Ų1158.7 Ų58.77%0.07428%0.282CS..  trans-141.1139.3178.8-175.30000110.8F26 F34 G35 H42F26-C32 HydrophobicContact CB-CB 4.41Å; C32-F34 PolarHBondContact O-N 3.24Å; C32-F34 VanDerWaalsContact O-N 3.09Å; C32-G35 PolarHBondContact O-N 3.09Å; C32-H42 VanDerWaalsContact CB-CE1 3.45Å; C32-H42 WeakPolarHBondContact CB-CE1 3.13Å; C32-H42 WeakPolarHBondContact CB-NE2 3.28Å
33R87.3Confident86.7Confident133 Ų13362 Ų6250%0.50230%0.298SS..THydrogen-bonded Turntrans-52.5-30.8177.2-165.4-178.4-166.7-151.74.1114E114 H116R33-E114 IonicContact CZ-OE1 3.35Å; R33-E114 VanDerWaalsContact CZ-OE1 3.29Å; R33-E114 IonicContact NE-OE1 2.67Å; R33-E114 PolarHBondContact NE-OE1 3.33Å; R33-E114 IonicContact NE-OE2 3.54Å; R33-E114 IonicContact NH2-OE1 3.22Å; R33-E114 PolarHBondContact NH2-OE1 3.45Å; R33-E114 IonicContact NH2-OE2 2.73Å; R33-H116 PolarHBondContact N-CD2 3.41Å; R33-H116 VanDerWaalsContact N-CD2 3.27Å; R33-H116 PolarHBondContact N-NE2 3.06Å
34F85.3Confident86.6Confident118 Ų11866.7 Ų66.752%0.51832%0.316SS..THydrogen-bonded Turntrans-88.6-13.7-177.2-56-65.9000113.8C32 D36 R37 C38C32-F34 PolarHBondContact O-N 3.24Å; C32-F34 VanDerWaalsContact O-N 3.09Å; F34-D36 PolarHBondContact O-N 2.88Å; F34-R37 WeakPolarHBondContact O-CB 3.33Å; F34-R37 PolarHBondContact O-N 3.13Å; F34-R37 VanDerWaalsContact O-N 3.14Å; F34-C38 HydrophobicContact CB-CB 3.93Å
35G85.5Confident86.6Confident21 Ų2168.2 Ų68.222%0.21633%0.326CS..G310 helixtrans52.4-137.2-171.300000111.4C32 R37 C38 H42C32-G35 PolarHBondContact O-N 3.09Å; G35-R37 PolarHBondContact O-N 3.11Å; G35-R37 VanDerWaalsContact O-N 3.11Å; G35-C38 WeakPolarHBondContact O-CB 3.27Å; G35-C38 PolarHBondContact O-N 2.72Å; G35-C38 VanDerWaalsContact O-N 3.12Å; G35-H42 PolarHBondContact O-CE1 3.41Å
36D83.8Confident86.5Confident149 Ų14971.5 Ų71.580%0.79735%0.351SS*.G310 helixtrans-68.1-9-179.5-41.2-74.4000113.5F34 C38F34-D36 PolarHBondContact O-N 2.88Å; D36-C38 VanDerWaalsContact C-N 3.29Å
37R86.6Confident86.4Confident226 Ų22673.4 Ų73.485%0.85337%0.365SS*.G310 helixtrans-9115.5173.5-54.8-177.8-64.2177.80.1112.8F34 G35F34-R37 WeakPolarHBondContact O-CB 3.33Å; F34-R37 PolarHBondContact O-N 3.13Å; F34-R37 VanDerWaalsContact O-N 3.14Å; G35-R37 PolarHBondContact O-N 3.11Å; G35-R37 VanDerWaalsContact O-N 3.11Å
38C87.9Confident86.6Confident27 Ų2771.6 Ų71.618%0.18236%0.356CS..  trans-72137.4176.4-161.90000110.9F34 G35 D36 R40 H42F34-C38 HydrophobicContact CB-CB 3.93Å; G35-C38 WeakPolarHBondContact O-CB 3.27Å; G35-C38 PolarHBondContact O-N 2.72Å; G35-C38 VanDerWaalsContact O-N 3.12Å; D36-C38 VanDerWaalsContact C-N 3.29Å; C38-R40 PolarHBondContact O-N 3.24Å; C38-H42 WeakPolarHBondContact CB-NE2 3.41Å
39S87.3Confident86.9Confident122 Ų12270.7 Ų70.785%0.85335%0.354SS*.SBendtrans-77.1-4.8175.7550000114.1
40R87.8Confident87.2Confident87 Ų8770.7 Ų70.733%0.32835%0.354SS..SBendtrans-118146.5174.5-56.7-166.9-164.7-167.63.9110.1E17 D19 N22 C23 C38 H42E17-R40 PolarHBondContact O-NH1 3.37Å; D19-R40 PolarHBondContact O-NH1 2.81Å; N22-R40 WeakPolarHBondContact O-CD 3.46Å; C23-R40 HydrophobicContact CB-CB 3.96Å; C38-R40 PolarHBondContact O-N 3.24Å; R40-H42 PolarHBondContact O-N 3.09Å
41K87.1Confident87.5Confident128 Ų12870.5 Ų70.556%0.55735%0.352SS*.BIsolated β-bridgetrans-59.9133.1-175.8-171.1178.5-176.6-1780112A21 C23 M43A21-K41 VanDerWaalsContact O-CB 3.32Å; A21-K41 WeakPolarHBondContact O-CB 3.38Å; A21-K41 PolarHBondContact O-N 3.37Å; C23-K41 PolarHBondContact N-O 2.76Å; K41-M43 HydrophobicContact CD-CG 4.12Å; K41-M43 HydrophobicContact CG-CG 4.22Å
42H88.7Confident87.7Confident29 Ų2970.3 Ų70.313%0.13435%0.351CS..  trans-95.1134.1163.4-65.6175.3000108.6C23 F26 C32 G35 C38 R40 Y44C23-H42 WeakPolarHBondContact CB-CD2 3.01Å; C23-H42 PolarHBondContact SG-NE2 2.97Å; F26-H42 HydrophobicContact CD1-CB 3.93Å; F26-H42 HydrophobicContact CD2-CB 4.13Å; F26-H42 AromaticContact CD2-CG 3.76Å; F26-H42 AromaticContact CD2-ND1 3.77Å; F26-H42 HydrophobicContact CE1-CB 4.11Å; F26-H42 HydrophobicContact CE2-CB 4.3Å; F26-H42 HydrophobicContact CG-CB 3.95Å; F26-H42 AromaticContact CG-CD2 3.74Å; F26-H42 AromaticContact CG-CG 3.69Å; F26-H42 HydrophobicContact CZ-CB 4.3Å; C32-H42 VanDerWaalsContact CB-CE1 3.45Å; C32-H42 WeakPolarHBondContact CB-CE1 3.13Å; C32-H42 WeakPolarHBondContact CB-NE2 3.28Å; G35-H42 PolarHBondContact O-CE1 3.41Å; C38-H42 WeakPolarHBondContact CB-NE2 3.41Å; R40-H42 PolarHBondContact O-N 3.09Å; H42-Y44 HydrophobicContact CB-CD2 4.19Å; H42-Y44 HydrophobicContact CB-CE2 3.58Å
43M85.3Confident87.9Confident81 Ų8169.8 Ų69.840%0.39935%0.347SS..  trans-116.786.9178.6-78.2-169.463.500109.4F14 K41 P45F14-M43 HydrophobicContact CE2-SD 4.34Å; F14-M43 HydrophobicContact CZ-SD 4.24Å; K41-M43 HydrophobicContact CD-CG 4.12Å; K41-M43 HydrophobicContact CG-CG 4.22Å; M43-P45 WeakPolarHBondContact O-CD 3.45Å
44Y85.8Confident88Confident103 Ų10367.5 Ų67.540%0.40434%0.338SS..  trans-67.4118171.2-63.8-92.2000108.7F26 H42F26-Y44 HydrophobicContact CE2-CD1 4.2Å; F26-Y44 AromaticContact CE2-CE1 3.56Å; F26-Y44 HydrophobicContact CE2-CE1 3.56Å; F26-Y44 HydrophobicContact CE2-CE2 4.18Å; F26-Y44 AromaticContact CE2-CZ 3.52Å; F26-Y44 AromaticContact CZ-CD1 3.62Å; F26-Y44 HydrophobicContact CZ-CD1 3.62Å; F26-Y44 HydrophobicContact CZ-CD2 4.14Å; F26-Y44 AromaticContact CZ-CE1 3.46Å; F26-Y44 HydrophobicContact CZ-CE1 3.46Å; F26-Y44 VanDerWaalsContact CZ-CE1 3.46Å; F26-Y44 AromaticContact CZ-CE2 3.99Å; F26-Y44 HydrophobicContact CZ-CE2 3.99Å; F26-Y44 AromaticContact CZ-CG 3.95Å; F26-Y44 HydrophobicContact CZ-CG 3.95Å; F26-Y44 AromaticContact CZ-CZ 3.63Å; H42-Y44 HydrophobicContact CB-CD2 4.19Å; H42-Y44 HydrophobicContact CB-CE2 3.58Å
45P84.1Confident88.1Confident38 Ų3862.7 Ų62.725%0.24732%0.322CS..  trans-83.3139.7-177.835.1-36000110.9M43 S47 I152 P154M43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-S47 WeakPolarHBondContact CB-O 3.18Å; P45-S47 PolarHBondContact O-N 3.49Å; P45-I152 HydrophobicContact CG-CG2 4.25Å; P45-P154 HydrophobicContact CG-CB 4.03Å
46T84.1Confident88.2Confident133 Ų13362.2 Ų62.282%0.81632%0.315SS*.SBendtrans-70.3-19.2176.9-370000112.5
47S86.2Confident88.3Confident45 Ų4555.3 Ų55.332%0.31528%0.277SS..  trans-148.2148171.370.40000111.1P45 E128P45-S47 WeakPolarHBondContact CB-O 3.18Å; P45-S47 PolarHBondContact O-N 3.49Å; S47-E128 WeakPolarHBondContact CB-OE2 3.47Å; S47-E128 PolarHBondContact OG-OE2 2.82Å
48S90.4Very high87.9Confident4 Ų448 Ų483%0.02825%0.252CS..  trans-167.7153.2178.4175.70000107.3T50 C131 C153S48-T50 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact OG-N 3.09Å; S48-T50 VanDerWaalsContact OG-N 3.16Å; S48-C131 VanDerWaalsContact O-CB 3.27Å; S48-C131 WeakPolarHBondContact O-CB 3.15Å; S48-C131 PolarHBondContact O-SG 3.4Å; S48-C153 VanDerWaalsContact CB-O 3.28Å; S48-C153 WeakPolarHBondContact CB-O 3.24Å; S48-C153 PolarHBondContact OG-O 2.83Å
49P90.8Very high86.9Confident20 Ų2047.6 Ų47.613%0.1325%0.249CC..SBendtrans-71.3-12.6169.130.4-36.7000113.1Q124 F125 E128P49-Q124 HydrophobicContact CB-CG 4.16Å; P49-Q124 CarbonylContact O-C 3.53Å; P49-Q124 WeakPolarHBondContact O-CA 3.28Å; P49-F125 WeakPolarHBondContact CB-O 3.36Å; P49-F125 PolarHBondContact O-N 3.44Å; P49-E128 WeakPolarHBondContact CD-OE1 3.49Å
50T92Very high85.6Confident0 Ų050.9 Ų50.90%025%0.248CC..EExtended strand (participates in β ladder)trans-106.4120.7-173.2-52.60000112.5S48 C131 C153 V155 W158S48-T50 PolarHBondContact O-N 2.9Å; S48-T50 PolarHBondContact OG-N 3.09Å; S48-T50 VanDerWaalsContact OG-N 3.16Å; T50-C131 VanDerWaalsContact C-SG 3.6Å; T50-C153 HydrophobicContact CG2-CB 4.1Å; T50-C153 VanDerWaalsContact O-CB 3.32Å; T50-C153 WeakPolarHBondContact O-CB 2.87Å; T50-C153 PolarHBondContact O-N 3.29Å; T50-V155 WeakPolarHBondContact CB-O 3.27Å; T50-V155 PolarHBondContact OG1-O 3.47Å; T50-W158 HydrophobicContact CG2-CH2 3.86Å; T50-W158 HydrophobicContact CG2-CZ2 3.88Å
51L93.3Very high84Confident0 Ų048.5 Ų48.50%025%0.25CS..EExtended strand (participates in β ladder)trans-93.5140.4170.2-17164.7000110.2V53 F98 Y122 V123 F125 A134 F135 C150L51-V53 HydrophobicContact CD2-CG2 4.45Å; L51-V53 HydrophobicContact CG-CG2 4.5Å; L51-F98 HydrophobicContact CD2-CE1 3.96Å; L51-Y122 WeakPolarHBondContact O-CA 3.22Å; L51-V123 HydrophobicContact CB-CB 4.47Å; L51-V123 PolarHBondContact N-O 3.31Å; L51-V123 PolarHBondContact O-N 3.23Å; L51-F125 HydrophobicContact CB-CE2 4.4Å; L51-F125 HydrophobicContact CD2-CE2 4.46Å; L51-A134 HydrophobicContact CD2-CB 4.04Å; L51-F135 HydrophobicContact CD1-CB 3.84Å; L51-F135 HydrophobicContact CD1-CD2 3.94Å; L51-F135 HydrophobicContact CD1-CG 4.4Å; L51-C150 HydrophobicContact CD1-CB 4.23Å
52L93.3Very high82.7Confident2 Ų242.9 Ų42.91%0.0123%0.226CC..EExtended strand (participates in β ladder)trans-114.9130.1168.916558.8000109.1R54 N120 V121 Y122 C150 E151 C153L52-R54 HydrophobicContact CD1-CG 4.29Å; L52-R54 HydrophobicContact CD2-CG 4.13Å; L52-R54 HydrophobicContact CG-CG 3.93Å; L52-N120 HydrophobicContact CD1-CB 3.74Å; L52-V121 CarbonylContact C-O 3.49Å; L52-V121 WeakPolarHBondContact CA-O 3.21Å; L52-Y122 HydrophobicContact CB-CD1 4.33Å; L52-Y122 HydrophobicContact CB-CE1 4.4Å; L52-Y122 HydrophobicContact CD1-CD1 4.1Å; L52-Y122 HydrophobicContact CD1-CD2 4.24Å; L52-Y122 HydrophobicContact CD1-CE1 3.81Å; L52-Y122 HydrophobicContact CD1-CE2 3.93Å; L52-Y122 HydrophobicContact CD1-CG 4.3Å; L52-Y122 HydrophobicContact CD2-CE1 4.22Å; L52-Y122 HydrophobicContact CG-CE1 4.37Å; L52-C150 CarbonylContact O-C 3.53Å; L52-C150 WeakPolarHBondContact O-CA 3.16Å; L52-E151 PolarHBondContact N-O 3.17Å; L52-E151 PolarHBondContact O-N 3.22Å; L52-C153 HydrophobicContact CB-CB 3.84Å
53V93Very high81.1Confident0 Ų045.7 Ų45.70%024%0.24CC..EExtended strand (participates in β ladder)trans-113.9116.7168.1-1610000109.1L51 M56 F98 N120 V121 L148 Q149L51-V53 HydrophobicContact CD2-CG2 4.45Å; L51-V53 HydrophobicContact CG-CG2 4.5Å; V53-M56 HydrophobicContact CB-CB 4.2Å; V53-M56 HydrophobicContact CB-SD 4.08Å; V53-M56 HydrophobicContact CG1-CB 3.92Å; V53-M56 HydrophobicContact CG1-CG 4.29Å; V53-M56 HydrophobicContact CG1-SD 3.9Å; V53-M56 HydrophobicContact CG2-SD 4.42Å; V53-F98 HydrophobicContact CG2-CZ 4.05Å; V53-N120 WeakPolarHBondContact O-CA 3.34Å; V53-V121 HydrophobicContact CB-CB 4.48Å; V53-V121 PolarHBondContact N-O 3.31Å; V53-V121 PolarHBondContact O-N 2.83Å; V53-L148 HydrophobicContact CG1-CB 4.08Å; V53-L148 HydrophobicContact CG1-CD2 4.01Å; V53-L148 HydrophobicContact CG1-CG 4.47Å; V53-Q149 WeakPolarHBondContact CA-O 3.48Å
54R90.8Very high79.6Confident84 Ų8446 Ų4632%0.31724%0.24SC..EExtended strand (participates in β ladder)trans-84.1128-167.4-64.4174.863.8154.2-6.9111.3L52 M56 N120 Q149 E151L52-R54 HydrophobicContact CD1-CG 4.29Å; L52-R54 HydrophobicContact CD2-CG 4.13Å; L52-R54 HydrophobicContact CG-CG 3.93Å; R54-M56 PolarHBondContact O-N 2.92Å; R54-M56 VanDerWaalsContact O-N 3.17Å; R54-N120 WeakPolarHBondContact CA-OD1 3.08Å; R54-Q149 HydrophobicContact CB-CB 4.29Å; R54-Q149 PolarHBondContact N-O 3.35Å; R54-E151 WeakPolarHBondContact CD-OE1 3.49Å; R54-E151 WeakPolarHBondContact CD-OE2 3.12Å; R54-E151 IonicContact CZ-OE1 2.6Å; R54-E151 IonicContact CZ-OE2 3.18Å; R54-E151 IonicContact NE-OE1 3.84Å; R54-E151 IonicContact NE-OE2 3.25Å; R54-E151 IonicContact NH1-OE1 4Å; R54-E151 PolarHBondContact NH1-OE1 3.03Å; R54-E151 IonicContact NH1-OE2 3.76Å; R54-E151 PolarHBondContact NH1-OE2 3.09Å
55G85.9Confident77.8Confident18 Ų1845.7 Ų45.719%0.18625%0.253CS..THydrogen-bonded Turntrans5433.2178.100000114.8G119 N120 R146G55-G119 CarbonylContact C-O 3.6Å; G55-N120 PolarHBondContact N-OD1 2.83Å; G55-N120 VanDerWaalsContact N-OD1 3.15Å; G55-R146 PolarHBondContact O-NH2 2.79Å
56M87.8Confident76.1Confident10 Ų1054.7 Ų54.75%0.04928%0.282CS..  trans-72.2-51.8-179.3-177.3177.1-17600110.9V53 R54 F90 V94 G119 V121 Y143 R146 L148V53-M56 HydrophobicContact CB-CB 4.2Å; V53-M56 HydrophobicContact CB-SD 4.08Å; V53-M56 HydrophobicContact CG1-CB 3.92Å; V53-M56 HydrophobicContact CG1-CG 4.29Å; V53-M56 HydrophobicContact CG1-SD 3.9Å; V53-M56 HydrophobicContact CG2-SD 4.42Å; R54-M56 PolarHBondContact O-N 2.92Å; R54-M56 VanDerWaalsContact O-N 3.17Å; M56-F90 HydrophobicContact CB-CZ 4.48Å; M56-F90 HydrophobicContact CE-CE2 4.31Å; M56-F90 HydrophobicContact CE-CZ 4.22Å; M56-F90 HydrophobicContact CG-CE2 3.97Å; M56-F90 HydrophobicContact CG-CZ 3.81Å; M56-F90 HydrophobicContact SD-CZ 4.04Å; M56-V94 HydrophobicContact CE-CB 4.32Å; M56-V94 HydrophobicContact CE-CG1 3.58Å; M56-V94 HydrophobicContact CE-CG2 3.7Å; M56-V94 HydrophobicContact SD-CG1 4.25Å; M56-G119 PolarHBondContact N-O 2.75Å; M56-V121 HydrophobicContact CB-CB 4.49Å; M56-V121 HydrophobicContact CB-CG2 3.89Å; M56-V121 HydrophobicContact CG-CG2 4.38Å; M56-V121 HydrophobicContact SD-CG2 4.33Å; M56-Y143 HydrophobicContact CE-CD1 4.31Å; M56-Y143 HydrophobicContact CE-CD2 4.25Å; M56-Y143 HydrophobicContact CE-CG 4.14Å; M56-Y143 HydrophobicContact CG-CD1 4.4Å; M56-R146 PolarHBondContact O-NH2 2.97Å; M56-L148 HydrophobicContact CB-CD2 4.26Å; M56-L148 HydrophobicContact CE-CD1 4.1Å; M56-L148 HydrophobicContact CE-CD2 4.01Å; M56-L148 HydrophobicContact CG-CD2 3.63Å; M56-L148 HydrophobicContact SD-CD2 3.97Å
57F85.6Confident74.5Confident4 Ų457.2 Ų57.22%0.01828%0.276CS..  trans-75.7128.4171.8-176.9-108.7000109.9T59 M62 F87 F90 V109 G119 V121 F183F57-T59 HydrophobicContact CE1-CG2 3.98Å; F57-T59 HydrophobicContact CE2-CG2 4.21Å; F57-T59 HydrophobicContact CZ-CG2 3.53Å; F57-M62 HydrophobicContact CD1-CE 4.3Å; F57-M62 HydrophobicContact CD1-SD 4.18Å; F57-M62 HydrophobicContact CE1-CE 3.93Å; F57-M62 HydrophobicContact CE1-SD 4.19Å; F57-F87 HydrophobicContact CE2-CB 4.16Å; F57-F87 HydrophobicContact CZ-CB 3.89Å; F57-F90 HydrophobicContact CB-CD1 4.46Å; F57-F90 HydrophobicContact CB-CE1 4.11Å; F57-F90 HydrophobicContact CB-CE2 4.27Å; F57-F90 HydrophobicContact CB-CZ 4.02Å; F57-F90 HydrophobicContact CD2-CB 3.86Å; F57-F90 AromaticContact CD2-CD1 3.72Å; F57-F90 HydrophobicContact CD2-CD1 3.72Å; F57-F90 AromaticContact CD2-CD2 3.81Å; F57-F90 HydrophobicContact CD2-CD2 3.81Å; F57-F90 HydrophobicContact CD2-CE1 4.22Å; F57-F90 HydrophobicContact CD2-CE2 4.27Å; F57-F90 AromaticContact CD2-CG 3.51Å; F57-F90 HydrophobicContact CD2-CG 3.51Å; F57-F90 HydrophobicContact CD2-CZ 4.48Å; F57-F90 HydrophobicContact CE2-CB 3.9Å; F57-F90 HydrophobicContact CE2-CD1 4.43Å; F57-F90 HydrophobicContact CE2-CG 4.08Å; F57-F90 HydrophobicContact CG-CD1 4.45Å; F57-V109 HydrophobicContact CB-CG1 3.61Å; F57-V109 HydrophobicContact CD1-CG1 3.95Å; F57-V109 HydrophobicContact CD2-CG1 4.46Å; F57-V109 HydrophobicContact CG-CG1 3.75Å; F57-G119 PolarHBondContact N-O 2.95Å; F57-G119 VanDerWaalsContact N-O 3.11Å; F57-G119 WeakPolarHBondContact O-CA 3.31Å; F57-V121 HydrophobicContact CB-CG2 4.4Å; F57-F183 AromaticContact CD1-CE2 3.89Å; F57-F183 HydrophobicContact CD1-CE2 3.89Å; F57-F183 AromaticContact CE1-CE2 3.45Å; F57-F183 HydrophobicContact CE1-CE2 3.45Å; F57-F183 VanDerWaalsContact CE1-CE2 3.45Å; F57-F183 AromaticContact CE1-CZ 3.7Å; F57-F183 HydrophobicContact CE1-CZ 3.7Å; F57-F183 HydrophobicContact CZ-CE2 4.15Å; F57-F183 HydrophobicContact CZ-CZ 4.24Å
58K78.2Confident72.7Confident74 Ų7461.3 Ų61.332%0.32230%0.295SS..  trans-148.1132.5166.8-72.6-162.9-167-169.10109.8E63K58-E63 VanDerWaalsContact CD-OE2 3.24Å; K58-E63 WeakPolarHBondContact CD-OE2 3.34Å; K58-E63 IonicContact NZ-OE1 2.67Å; K58-E63 PolarHBondContact NZ-OE1 3.4Å; K58-E63 IonicContact NZ-OE2 3.17Å; K58-E63 PolarHBondContact NZ-OE2 3.17Å
59T68.1Low70.8Confident18 Ų1868.4 Ų68.411%0.1133%0.332CS..  trans-106.4163.8162.758.50000109.5F57 G61 M62 L83F57-T59 HydrophobicContact CE1-CG2 3.98Å; F57-T59 HydrophobicContact CE2-CG2 4.21Å; F57-T59 HydrophobicContact CZ-CG2 3.53Å; T59-G61 VanDerWaalsContact C-N 3.34Å; T59-G61 PolarHBondContact O-N 2.66Å; T59-M62 PolarHBondContact O-N 2.86Å; T59-L83 HydrophobicContact CG2-CD1 3.85Å; T59-L83 WeakPolarHBondContact OG1-CD1 3.32Å
60F59Low69Low190 Ų19077.9 Ų77.983%0.83337%0.367SS*.G310 helixtrans-59.6-42.1-179.6-69.7-81.5000112.3M62 E63F60-M62 PolarHBondContact O-N 2.63Å; F60-M62 VanDerWaalsContact O-N 3.12Å; F60-E63 PolarHBondContact O-N 3.16Å
61G55.4Low67.4Low37 Ų3780.9 Ų80.938%0.38138%0.383SS..G310 helixtrans-63.7-11173.200000115.6T59T59-G61 VanDerWaalsContact C-N 3.34Å; T59-G61 PolarHBondContact O-N 2.66Å
62M59.3Low65.5Low10 Ų1087.5 Ų87.55%0.04942%0.415CS..G310 helixtrans-91.7-10.4169.4-72.2-170.1-176.700113.6F57 T59 F60 E64 L83 C111 R118 F183F57-M62 HydrophobicContact CD1-CE 4.3Å; F57-M62 HydrophobicContact CD1-SD 4.18Å; F57-M62 HydrophobicContact CE1-CE 3.93Å; F57-M62 HydrophobicContact CE1-SD 4.19Å; T59-M62 PolarHBondContact O-N 2.86Å; F60-M62 PolarHBondContact O-N 2.63Å; F60-M62 VanDerWaalsContact O-N 3.12Å; M62-E64 VanDerWaalsContact C-N 3.33Å; M62-L83 HydrophobicContact CE-CD1 4.24Å; M62-C111 HydrophobicContact CE-CB 3.65Å; M62-R118 HydrophobicContact CB-CG 4.44Å; M62-R118 VanDerWaalsContact O-CD 3.24Å; M62-R118 WeakPolarHBondContact O-CD 3.36Å; M62-R118 PolarHBondContact O-NE 2.89Å; M62-R118 PolarHBondContact O-NH1 2.77Å; M62-F183 HydrophobicContact CE-CE2 4.24Å; M62-F183 HydrophobicContact CE-CZ 3.96Å
63E53.9Low63.5Low89 Ų8992.5 Ų92.542%0.41644%0.442SS..  trans-95.419.5-179.5-154.586.7-89.400112.7K58 F60 S65K58-E63 VanDerWaalsContact CD-OE2 3.24Å; K58-E63 WeakPolarHBondContact CD-OE2 3.34Å; K58-E63 IonicContact NZ-OE1 2.67Å; K58-E63 PolarHBondContact NZ-OE1 3.4Å; K58-E63 IonicContact NZ-OE2 3.17Å; K58-E63 PolarHBondContact NZ-OE2 3.17Å; F60-E63 PolarHBondContact O-N 3.16Å; E63-S65 PolarHBondContact O-N 2.91Å
64E53.8Low61.5Low88 Ų8894 Ų9441%0.41146%0.455SS..  trans-59.716.6-176-154.9-174.1-122.700116M62 H113 K175M62-E64 VanDerWaalsContact C-N 3.33Å; E64-H113 IonicContact OE2-CE1 2.8Å; E64-H113 PolarHBondContact OE2-CE1 2.68Å; E64-H113 IonicContact OE2-NE2 3.62Å; E64-H113 PolarHBondContact OE2-NE2 2.58Å; E64-K175 IonicContact OE1-NZ 2.65Å; E64-K175 IonicContact OE2-NZ 3.88Å; E64-K175 PolarHBondContact OE2-NZ 3.04Å
65S48.1Very low59.5Low95 Ų9594.2 Ų94.266%0.66447%0.468SS*.SBendtrans-98.99.5-177.5-169.90000113.8E63E63-S65 PolarHBondContact O-N 2.91Å
66R48.4Very low57.7Low228 Ų228100.1 Ų100.186%0.8650%0.495SS*.SBendtrans-150.110.2-166.4-90.1-166.9169.4-168.4-5.4116.3
67R50.9Low55.8Low186 Ų186106.5 Ų106.570%0.70252%0.524SS*.  trans-103.3128.2170-73.5-180172.7-90.1-6.1108.1D71R67-D71 WeakPolarHBondContact CD-OD2 3.36Å; R67-D71 IonicContact CZ-OD2 3.52Å; R67-D71 IonicContact NE-OD2 3.29Å; R67-D71 IonicContact NH1-OD2 2.7Å; R67-D71 PolarHBondContact NH1-OD2 2.8Å
68D48.5Very low54.2Low131 Ų131111.1 Ų111.170%0.70155%0.546SS*.  trans-71163.3179.8-53.3-62.6000110.8Y70D68-Y70 PolarHBondContact O-N 3.3Å
69D50.5Low53.1Low153 Ų153109.8 Ų109.882%0.81855%0.546SS*.THydrogen-bonded Turntrans-58.85.2-163-34.1-25.3000117.4
70Y53.5Low53Low218 Ų218115.3 Ų115.386%0.85557%0.571SS**THydrogen-bonded Turntrans-99-9.5-172-70.6-88.2000114.4D68 M72D68-Y70 PolarHBondContact O-N 3.3Å; Y70-M72 PolarHBondContact O-N 2.8Å
71D58.3Low53.4Low64 Ų64112.7 Ų112.734%0.34256%0.561SS.*  trans-96.854.7-174.1-149.9-9.9000111.6R67 D73 A74R67-D71 WeakPolarHBondContact CD-OD2 3.36Å; R67-D71 IonicContact CZ-OD2 3.52Å; R67-D71 IonicContact NE-OD2 3.29Å; R67-D71 IonicContact NH1-OD2 2.7Å; R67-D71 PolarHBondContact NH1-OD2 2.8Å; D71-D73 VanDerWaalsContact C-N 3.29Å; D71-D73 PolarHBondContact O-N 2.85Å; D71-A74 PolarHBondContact O-N 3.42Å
72M53Low54.4Low138 Ų138115.1 Ų115.168%0.6856%0.562SS**  trans-64.6-31.7-175-174.364.559.700112.9Y70 C75Y70-M72 PolarHBondContact O-N 2.8Å; M72-C75 PolarHBondContact O-N 3.34Å
73D51.3Low55.3Low108 Ų108116.9 Ų116.958%0.57857%0.572SS**THydrogen-bonded Turntrans-77.6-23.8-175.2-60.2-38.5000112.3D71 C75 L76 E77D71-D73 VanDerWaalsContact C-N 3.29Å; D71-D73 PolarHBondContact O-N 2.85Å; D73-C75 PolarHBondContact O-N 3.06Å; D73-C75 VanDerWaalsContact O-N 3.09Å; D73-L76 WeakPolarHBondContact O-CA 3.25Å; D73-L76 WeakPolarHBondContact O-CB 3.08Å; D73-L76 PolarHBondContact O-N 2.71Å; D73-E77 PolarHBondContact O-N 2.86Å
74A52Low56.5Low32 Ų32116.6 Ų116.626%0.26457%0.573SS.*Hα-helixtrans-61.6-17.9173.800000113.8D71 L76D71-A74 PolarHBondContact O-N 3.42Å; A74-L76 VanDerWaalsContact C-N 3.33Å
75C47.3Very low57.9Low87 Ų87118.8 Ų118.859%0.58858%0.583SS**Hα-helixtrans-82.7-6171-68.70000114M72 D73M72-C75 PolarHBondContact O-N 3.34Å; D73-C75 PolarHBondContact O-N 3.06Å; D73-C75 VanDerWaalsContact O-N 3.09Å
76L49.4Very low59.6Low142 Ų142116.5 Ų116.574%0.74357%0.567SS**Hα-helixtrans-111.6-23.1-178.9-64.8174.4000113.4D73 A74D73-L76 WeakPolarHBondContact O-CA 3.25Å; D73-L76 WeakPolarHBondContact O-CB 3.08Å; D73-L76 PolarHBondContact O-N 2.71Å; A74-L76 VanDerWaalsContact C-N 3.33Å
77E47.1Very low61.4Low145 Ų145105.6 Ų105.668%0.67853%0.526SS*.Hα-helixtrans-81.4-25.2-175.7-66.4-169.9146.500114.5D73D73-E77 PolarHBondContact O-N 2.86Å
78H51.4Low63.1Low100 Ų10099.5 Ų99.546%0.46351%0.507SS..  trans-101.4111.8-174.6-66.4-55.1000113.2E82H78-E82 IonicContact CE1-OE2 3.56Å; H78-E82 IonicContact CG-OE2 3.96Å; H78-E82 IonicContact ND1-OE2 3.68Å; H78-E82 PolarHBondContact ND1-OE2 3.43Å
79S56.7Low65Low47 Ų47100.5 Ų100.533%0.32951%0.507SS..  trans-83.2165.9175.678.80000113.1E81S79-E81 WeakPolarHBondContact CB-OE2 3.45Å; S79-E81 PolarHBondContact O-N 3.39Å; S79-E81 VanDerWaalsContact O-N 3.15Å; S79-E81 WeakPolarHBondContact OG-CB 3.48Å; S79-E81 PolarHBondContact OG-N 2.62Å; S79-E81 PolarHBondContact OG-OE2 3.18Å
80E64.9Low66.8Low134 Ų13493.8 Ų93.863%0.62647%0.471SS*.Hα-helixtrans-63.3-14.8171.9-167171.9-170.200111.7L84 Q169E80-L84 PolarHBondContact O-N 3.44Å; E80-Q169 PolarHBondContact OE1-NE2 2.67Å; E80-Q169 PolarHBondContact OE2-NE2 3.1Å; E80-Q169 VanDerWaalsContact OE2-NE2 3.11Å
81E68.4Low68.4Low134 Ų13483.6 Ų83.663%0.62643%0.431SS*.Hα-helixtrans-79.8-47.8-178.3-55.8137.3155.300111.7S79 L83 L84 E85S79-E81 WeakPolarHBondContact CB-OE2 3.45Å; S79-E81 PolarHBondContact O-N 3.39Å; S79-E81 VanDerWaalsContact O-N 3.15Å; S79-E81 WeakPolarHBondContact OG-CB 3.48Å; S79-E81 PolarHBondContact OG-N 2.62Å; S79-E81 PolarHBondContact OG-OE2 3.18Å; E81-L83 PolarHBondContact O-N 2.98Å; E81-L84 CarbonylContact O-C 3.59Å; E81-L84 WeakPolarHBondContact O-CA 3.41Å; E81-L84 WeakPolarHBondContact O-CB 3.42Å; E81-L84 PolarHBondContact O-N 3.24Å; E81-E85 PolarHBondContact O-N 3.41Å
82E76.5Confident69.8Low88 Ų8886.8 Ų86.841%0.41144%0.443SS..Hα-helixtrans-58.4-35.9174.8-63-169.8143.700112H78 L84 S86H78-E82 IonicContact CE1-OE2 3.56Å; H78-E82 IonicContact CG-OE2 3.96Å; H78-E82 IonicContact ND1-OE2 3.68Å; H78-E82 PolarHBondContact ND1-OE2 3.43Å; E82-L84 VanDerWaalsContact C-N 3.32Å; E82-S86 WeakPolarHBondContact O-CB 3.24Å; E82-S86 PolarHBondContact O-N 2.7Å; E82-S86 PolarHBondContact O-OG 3.22Å
83L76.8Confident71.6Confident48 Ų4884.1 Ų84.125%0.25143%0.432SS..Hα-helixtrans-64.9-37.8175.4-166.778.7000111.7T59 M62 E81 F87 F183T59-L83 HydrophobicContact CG2-CD1 3.85Å; T59-L83 WeakPolarHBondContact OG1-CD1 3.32Å; M62-L83 HydrophobicContact CE-CD1 4.24Å; E81-L83 PolarHBondContact O-N 2.98Å; L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 3.18Å; L83-F87 VanDerWaalsContact O-N 3.14Å; L83-F183 HydrophobicContact CD2-CE1 4Å; L83-F183 HydrophobicContact CD2-CZ 4.07Å; L83-F183 HydrophobicContact CG-CE1 4.26Å; L83-F183 HydrophobicContact CG-CZ 4.16Å
84L79.6Confident73.5Confident83 Ų8379.2 Ų79.244%0.43541%0.406SS..Hα-helixtrans-72.3-44177-174.367.9000111E80 E81 E82 F87 L88E80-L84 PolarHBondContact O-N 3.44Å; E81-L84 CarbonylContact O-C 3.59Å; E81-L84 WeakPolarHBondContact O-CA 3.41Å; E81-L84 WeakPolarHBondContact O-CB 3.42Å; E81-L84 PolarHBondContact O-N 3.24Å; E82-L84 VanDerWaalsContact C-N 3.32Å; L84-F87 HydrophobicContact CD1-CD1 4.11Å; L84-F87 CarbonylContact O-C 3.55Å; L84-F87 WeakPolarHBondContact O-CA 3.44Å; L84-F87 WeakPolarHBondContact O-CB 3.48Å; L84-F87 PolarHBondContact O-N 2.71Å; L84-F87 VanDerWaalsContact O-N 3.09Å; L84-L88 WeakPolarHBondContact O-CG 3.28Å; L84-L88 PolarHBondContact O-N 3.26Å
85E82.9Confident75.2Confident133 Ų13378.1 Ų78.162%0.62140%0.395SS*.Hα-helixtrans-60.1-46.4175.7-69.7-175.817100111.5E81 F87 L88 E89E81-E85 PolarHBondContact O-N 3.41Å; E85-F87 PolarHBondContact O-N 3.02Å; E85-L88 PolarHBondContact O-N 3.32Å; E85-E89 PolarHBondContact O-N 2.96Å
86S85Confident77.2Confident47 Ų4777.4 Ų77.433%0.32939%0.389SS..Hα-helixtrans-57.3-36.3172.7-57.80000112.5E82 F90E82-S86 WeakPolarHBondContact O-CB 3.24Å; E82-S86 PolarHBondContact O-N 2.7Å; E82-S86 PolarHBondContact O-OG 3.22Å; S86-F90 VanDerWaalsContact O-CB 3.31Å; S86-F90 WeakPolarHBondContact O-CB 3.49Å; S86-F90 PolarHBondContact O-N 3.27Å
87F85.7Confident79.2Confident0 Ų073.6 Ų73.60%037%0.368CS..Hα-helixtrans-73.3-34.6175.2164.3-104.6000112.6F57 L83 L84 E85 Y91 V109 F183 R184F57-F87 HydrophobicContact CE2-CB 4.16Å; F57-F87 HydrophobicContact CZ-CB 3.89Å; L83-F87 WeakPolarHBondContact O-CB 3.41Å; L83-F87 PolarHBondContact O-N 3.18Å; L83-F87 VanDerWaalsContact O-N 3.14Å; L84-F87 HydrophobicContact CD1-CD1 4.11Å; L84-F87 CarbonylContact O-C 3.55Å; L84-F87 WeakPolarHBondContact O-CA 3.44Å; L84-F87 WeakPolarHBondContact O-CB 3.48Å; L84-F87 PolarHBondContact O-N 2.71Å; L84-F87 VanDerWaalsContact O-N 3.09Å; E85-F87 PolarHBondContact O-N 3.02Å; F87-Y91 HydrophobicContact CE2-CD2 4.49Å; F87-Y91 HydrophobicContact CZ-CD2 4.16Å; F87-Y91 VanDerWaalsContact O-CB 3.27Å; F87-Y91 WeakPolarHBondContact O-CB 3.4Å; F87-Y91 PolarHBondContact O-N 3.49Å; F87-V109 HydrophobicContact CD2-CB 4.19Å; F87-V109 HydrophobicContact CD2-CG1 4.28Å; F87-V109 HydrophobicContact CD2-CG2 4.36Å; F87-V109 HydrophobicContact CE2-CB 3.75Å; F87-V109 HydrophobicContact CE2-CG1 4.34Å; F87-V109 HydrophobicContact CE2-CG2 3.73Å; F87-F183 HydrophobicContact CB-CD1 4.49Å; F87-F183 HydrophobicContact CB-CE1 4.41Å; F87-F183 HydrophobicContact CB-CE2 4.47Å; F87-F183 HydrophobicContact CB-CZ 4.39Å; F87-F183 HydrophobicContact CD1-CB 4.05Å; F87-F183 HydrophobicContact CD1-CD1 4.31Å; F87-F183 HydrophobicContact CD1-CG 4.15Å; F87-F183 HydrophobicContact CD2-CB 4.03Å; F87-F183 AromaticContact CD2-CD2 3.66Å; F87-F183 HydrophobicContact CD2-CD2 3.66Å; F87-F183 HydrophobicContact CD2-CE2 4.2Å; F87-F183 AromaticContact CD2-CG 3.87Å; F87-F183 HydrophobicContact CD2-CG 3.87Å; F87-F183 HydrophobicContact CE1-CB 3.73Å; F87-F183 HydrophobicContact CE1-CG 4.33Å; F87-F183 HydrophobicContact CE2-CB 3.73Å; F87-F183 HydrophobicContact CE2-CD2 4.03Å; F87-F183 HydrophobicContact CE2-CG 4.08Å; F87-F183 HydrophobicContact CG-CB 4.18Å; F87-F183 HydrophobicContact CG-CD1 4.18Å; F87-F183 HydrophobicContact CG-CD2 4.05Å; F87-F183 HydrophobicContact CG-CE2 4.43Å; F87-F183 AromaticContact CG-CG 3.9Å; F87-F183 HydrophobicContact CG-CG 3.9Å; F87-F183 HydrophobicContact CZ-CB 3.56Å; F87-F183 HydrophobicContact CZ-CG 4.3Å; F87-R184 WeakPolarHBondContact CE1-O 3.27Å
88L86.1Confident81.3Confident58 Ų5866.7 Ų66.730%0.30434%0.336SS..Hα-helixtrans-68-45.9176.4-69173.9000111.5L84 E85 F90 Y91 H92 P186L84-L88 WeakPolarHBondContact O-CG 3.28Å; L84-L88 PolarHBondContact O-N 3.26Å; E85-L88 PolarHBondContact O-N 3.32Å; L88-F90 PolarHBondContact O-N 3.07Å; L88-Y91 WeakPolarHBondContact O-CB 3.44Å; L88-Y91 PolarHBondContact O-N 3.04Å; L88-H92 PolarHBondContact O-CD2 2.72Å; L88-H92 PolarHBondContact O-N 2.83Å; L88-P186 HydrophobicContact CD2-CB 3.6Å; L88-P186 HydrophobicContact CD2-CG 3.7Å
89E88.1Confident83.1Confident152 Ų15266.5 Ų66.571%0.7133%0.333SS*.Hα-helixtrans-56.9-50.8173.5-175.6178.7-152.900110.5E85 Y91 H92 D93E85-E89 PolarHBondContact O-N 2.96Å; E89-Y91 VanDerWaalsContact C-N 3.32Å; E89-Y91 PolarHBondContact O-N 3.29Å; E89-H92 PolarHBondContact O-N 2.87Å; E89-H92 VanDerWaalsContact O-N 3.17Å; E89-D93 WeakPolarHBondContact O-CB 3.41Å; E89-D93 PolarHBondContact O-N 3.49Å
90F89.2Confident84.7Confident11 Ų1167.6 Ų67.65%0.04834%0.341CS..Hα-helixtrans-57.3-41.2175.4179.7-94.1000113.1M56 F57 S86 L88 V94 F107 V109 V121 Y143M56-F90 HydrophobicContact CB-CZ 4.48Å; M56-F90 HydrophobicContact CE-CE2 4.31Å; M56-F90 HydrophobicContact CE-CZ 4.22Å; M56-F90 HydrophobicContact CG-CE2 3.97Å; M56-F90 HydrophobicContact CG-CZ 3.81Å; M56-F90 HydrophobicContact SD-CZ 4.04Å; F57-F90 HydrophobicContact CB-CD1 4.46Å; F57-F90 HydrophobicContact CB-CE1 4.11Å; F57-F90 HydrophobicContact CB-CE2 4.27Å; F57-F90 HydrophobicContact CB-CZ 4.02Å; F57-F90 HydrophobicContact CD2-CB 3.86Å; F57-F90 AromaticContact CD2-CD1 3.72Å; F57-F90 HydrophobicContact CD2-CD1 3.72Å; F57-F90 AromaticContact CD2-CD2 3.81Å; F57-F90 HydrophobicContact CD2-CD2 3.81Å; F57-F90 HydrophobicContact CD2-CE1 4.22Å; F57-F90 HydrophobicContact CD2-CE2 4.27Å; F57-F90 AromaticContact CD2-CG 3.51Å; F57-F90 HydrophobicContact CD2-CG 3.51Å; F57-F90 HydrophobicContact CD2-CZ 4.48Å; F57-F90 HydrophobicContact CE2-CB 3.9Å; F57-F90 HydrophobicContact CE2-CD1 4.43Å; F57-F90 HydrophobicContact CE2-CG 4.08Å; F57-F90 HydrophobicContact CG-CD1 4.45Å; S86-F90 VanDerWaalsContact O-CB 3.31Å; S86-F90 WeakPolarHBondContact O-CB 3.49Å; S86-F90 PolarHBondContact O-N 3.27Å; L88-F90 PolarHBondContact O-N 3.07Å; F90-V94 HydrophobicContact CD2-CG2 3.87Å; F90-V94 HydrophobicContact CE1-CB 4.33Å; F90-V94 HydrophobicContact CE1-CG1 4.4Å; F90-V94 HydrophobicContact CE1-CG2 4.29Å; F90-V94 HydrophobicContact CE2-CG2 3.62Å; F90-V94 HydrophobicContact CG-CG2 4.32Å; F90-V94 HydrophobicContact CZ-CB 4.25Å; F90-V94 HydrophobicContact CZ-CG1 4.18Å; F90-V94 HydrophobicContact CZ-CG2 3.82Å; F90-V94 VanDerWaalsContact O-CB 3.22Å; F90-V94 WeakPolarHBondContact O-CB 3.4Å; F90-V94 WeakPolarHBondContact O-CG2 3.47Å; F90-V94 PolarHBondContact O-N 2.99Å; F90-F107 HydrophobicContact CE1-CZ 4.29Å; F90-V109 HydrophobicContact CD1-CG2 4.36Å; F90-V109 HydrophobicContact CE1-CG1 4.39Å; F90-V109 HydrophobicContact CE1-CG2 3.94Å; F90-V121 HydrophobicContact CE1-CG2 3.9Å; F90-V121 HydrophobicContact CZ-CG2 3.8Å; F90-Y143 AromaticContact CD2-CE1 3.91Å; F90-Y143 HydrophobicContact CD2-CE1 3.91Å; F90-Y143 WeakPolarHBondContact CD2-OH 3.37Å; F90-Y143 HydrophobicContact CE2-CD1 4.49Å; F90-Y143 AromaticContact CE2-CE1 3.66Å; F90-Y143 HydrophobicContact CE2-CE1 3.66Å; F90-Y143 AromaticContact CE2-CZ 4Å
91Y87.8Confident85.8Confident5 Ų562.7 Ų62.72%0.0232%0.319CS..Hα-helixtrans-62.8-44.5177.1-174.2-90.5000111.3F87 L88 E89 L95 F107 N185 P186 E189 F190F87-Y91 HydrophobicContact CE2-CD2 4.49Å; F87-Y91 HydrophobicContact CZ-CD2 4.16Å; F87-Y91 VanDerWaalsContact O-CB 3.27Å; F87-Y91 WeakPolarHBondContact O-CB 3.4Å; F87-Y91 PolarHBondContact O-N 3.49Å; L88-Y91 WeakPolarHBondContact O-CB 3.44Å; L88-Y91 PolarHBondContact O-N 3.04Å; E89-Y91 VanDerWaalsContact C-N 3.32Å; E89-Y91 PolarHBondContact O-N 3.29Å; Y91-L95 HydrophobicContact CD1-CD2 4.32Å; Y91-L95 HydrophobicContact CE1-CD2 3.56Å; Y91-L95 HydrophobicContact CE1-CG 4.48Å; Y91-L95 HydrophobicContact CE2-CD1 4.04Å; Y91-L95 HydrophobicContact CE2-CD2 4.41Å; Y91-L95 WeakPolarHBondContact O-CB 3.15Å; Y91-L95 PolarHBondContact O-N 3.06Å; Y91-F107 AromaticContact CD2-CD1 3.81Å; Y91-F107 HydrophobicContact CD2-CD1 3.81Å; Y91-F107 AromaticContact CD2-CE1 3.75Å; Y91-F107 HydrophobicContact CD2-CE1 3.75Å; Y91-F107 AromaticContact CE2-CD1 3.69Å; Y91-F107 HydrophobicContact CE2-CD1 3.69Å; Y91-F107 HydrophobicContact CE2-CE1 4.12Å; Y91-N185 HydrophobicContact CE2-CB 3.82Å; Y91-P186 HydrophobicContact CD1-CG 3.39Å; Y91-P186 HydrophobicContact CD2-CG 4.28Å; Y91-P186 HydrophobicContact CE1-CG 3.51Å; Y91-P186 HydrophobicContact CE2-CG 4.39Å; Y91-P186 HydrophobicContact CG-CG 3.81Å; Y91-E189 PolarHBondContact OH-OE2 3.28Å; Y91-F190 WeakPolarHBondContact OH-CE2 3.33Å
92H87.4Confident86.8Confident130 Ų13057 Ų5760%0.60230%0.296SS*.Hα-helixtrans-71.4-30.4-179.3-76.8-64.3000113.9L88 E89 P96L88-H92 PolarHBondContact O-CD2 2.72Å; L88-H92 PolarHBondContact O-N 2.83Å; E89-H92 PolarHBondContact O-N 2.87Å; E89-H92 VanDerWaalsContact O-N 3.17Å; H92-P96 WeakPolarHBondContact O-CD 3.16Å; H92-P96 WeakPolarHBondContact O-CG 3.48Å
93D90.3Very high87.4Confident83 Ų8359.2 Ų59.244%0.44430%0.304SS..Hα-helixtrans-77-45.7175.4178.137.5000112.3E89 Y143E89-D93 WeakPolarHBondContact O-CB 3.41Å; E89-D93 PolarHBondContact O-N 3.49Å; D93-Y143 WeakPolarHBondContact OD2-CE2 3.19Å; D93-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D93-Y143 PolarHBondContact OD2-OH 3.48Å
94V90.4Very high88Confident5 Ų557.6 Ų57.63%0.0330%0.297CS..Hα-helixtrans-90.1-31.3-168.4174.20000113.8M56 F90 E97 F98 F107 Y143M56-V94 HydrophobicContact CE-CB 4.32Å; M56-V94 HydrophobicContact CE-CG1 3.58Å; M56-V94 HydrophobicContact CE-CG2 3.7Å; M56-V94 HydrophobicContact SD-CG1 4.25Å; F90-V94 HydrophobicContact CD2-CG2 3.87Å; F90-V94 HydrophobicContact CE1-CB 4.33Å; F90-V94 HydrophobicContact CE1-CG1 4.4Å; F90-V94 HydrophobicContact CE1-CG2 4.29Å; F90-V94 HydrophobicContact CE2-CG2 3.62Å; F90-V94 HydrophobicContact CG-CG2 4.32Å; F90-V94 HydrophobicContact CZ-CB 4.25Å; F90-V94 HydrophobicContact CZ-CG1 4.18Å; F90-V94 HydrophobicContact CZ-CG2 3.82Å; F90-V94 VanDerWaalsContact O-CB 3.22Å; F90-V94 WeakPolarHBondContact O-CB 3.4Å; F90-V94 WeakPolarHBondContact O-CG2 3.47Å; F90-V94 PolarHBondContact O-N 2.99Å; V94-E97 PolarHBondContact O-N 3.05Å; V94-F98 HydrophobicContact CG1-CD2 3.7Å; V94-F98 HydrophobicContact CG1-CE2 3.38Å; V94-F98 VanDerWaalsContact O-CD2 3.31Å; V94-F98 WeakPolarHBondContact O-CD2 3.46Å; V94-F98 PolarHBondContact O-N 3.1Å; V94-F107 HydrophobicContact CG1-CE2 4.19Å; V94-F107 HydrophobicContact CG1-CZ 4.05Å; V94-Y143 HydrophobicContact CG2-CE2 3.87Å
95L88.6Confident88.4Confident8 Ų855.7 Ų55.74%0.04229%0.288CS..Hα-helixtrans-64.9-41.4-179.2-16988.1000113.5Y91 E97 F98 K99 F107 E189 F190Y91-L95 HydrophobicContact CD1-CD2 4.32Å; Y91-L95 HydrophobicContact CE1-CD2 3.56Å; Y91-L95 HydrophobicContact CE1-CG 4.48Å; Y91-L95 HydrophobicContact CE2-CD1 4.04Å; Y91-L95 HydrophobicContact CE2-CD2 4.41Å; Y91-L95 WeakPolarHBondContact O-CB 3.15Å; Y91-L95 PolarHBondContact O-N 3.06Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.98Å; L95-F98 PolarHBondContact O-N 3.15Å; L95-K99 HydrophobicContact CD2-CD 4.08Å; L95-K99 VanDerWaalsContact CD2-CE 3.4Å; L95-K99 HydrophobicContact CG-CD 4.1Å; L95-K99 HydrophobicContact CG-CG 4.44Å; L95-K99 WeakPolarHBondContact O-CB 3.24Å; L95-K99 WeakPolarHBondContact O-CG 3.07Å; L95-K99 PolarHBondContact O-N 3.2Å; L95-F107 HydrophobicContact CD1-CB 3.8Å; L95-F107 HydrophobicContact CD1-CD1 3.98Å; L95-F107 HydrophobicContact CD1-CD2 3.92Å; L95-F107 HydrophobicContact CD1-CE1 4.5Å; L95-F107 HydrophobicContact CD1-CE2 4.47Å; L95-F107 HydrophobicContact CD1-CG 3.64Å; L95-E189 WeakPolarHBondContact CD2-OE2 3.28Å; L95-F190 HydrophobicContact CD1-CE2 4.08Å; L95-F190 HydrophobicContact CD1-CZ 4.07Å
96P89.6Confident88.5Confident72 Ų7250 Ų5047%0.46826%0.262SS..Hα-helixtrans-63.5-37.4176.4-22.635.4000112.9H92 F98 K99 S100H92-P96 WeakPolarHBondContact O-CD 3.16Å; H92-P96 WeakPolarHBondContact O-CG 3.48Å; P96-F98 PolarHBondContact O-N 3.33Å; P96-K99 CarbonylContact O-C 3.44Å; P96-K99 PolarHBondContact O-N 2.65Å; P96-S100 WeakPolarHBondContact O-CB 3.49Å; P96-S100 PolarHBondContact O-N 3.11Å
97E91.1Very high88.8Confident62 Ų6247.8 Ų47.829%0.2925%0.246SC..Hα-helixtrans-59.1-44175.7-85.5-78.6179.400111.7V94 L95 S100 F138 R141V94-E97 PolarHBondContact O-N 3.05Å; L95-E97 VanDerWaalsContact C-N 3.34Å; L95-E97 PolarHBondContact O-N 2.98Å; E97-S100 WeakPolarHBondContact O-CB 3.29Å; E97-S100 PolarHBondContact O-N 2.72Å; E97-S100 PolarHBondContact O-OG 3.13Å; E97-F138 HydrophobicContact CB-CE1 4.21Å; E97-F138 HydrophobicContact CB-CZ 4.11Å; E97-R141 VanDerWaalsContact CD-NH1 3.33Å; E97-R141 VanDerWaalsContact CD-NH2 3.34Å; E97-R141 IonicContact OE1-CZ 2.66Å; E97-R141 IonicContact OE1-NH1 3.61Å; E97-R141 PolarHBondContact OE1-NH1 3.29Å; E97-R141 IonicContact OE1-NH2 3.43Å; E97-R141 PolarHBondContact OE1-NH2 3.32Å; E97-R141 IonicContact OE2-CZ 2.79Å; E97-R141 IonicContact OE2-NH1 3.39Å; E97-R141 PolarHBondContact OE2-NH1 3.08Å; E97-R141 IonicContact OE2-NH2 2.71Å
98F90.2Very high88.9Confident1 Ų148 Ų480%0.00425%0.247CC..Hα-helixtrans-70.4-42173.3-72.2-66000112.9L51 V53 V94 L95 P96 S100 I101 V104 F107 V123 F125 F138L51-F98 HydrophobicContact CD2-CE1 3.96Å; V53-F98 HydrophobicContact CG2-CZ 4.05Å; V94-F98 HydrophobicContact CG1-CD2 3.7Å; V94-F98 HydrophobicContact CG1-CE2 3.38Å; V94-F98 VanDerWaalsContact O-CD2 3.31Å; V94-F98 WeakPolarHBondContact O-CD2 3.46Å; V94-F98 PolarHBondContact O-N 3.1Å; L95-F98 PolarHBondContact O-N 3.15Å; P96-F98 PolarHBondContact O-N 3.33Å; F98-S100 PolarHBondContact O-N 2.73Å; F98-I101 PolarHBondContact O-N 3.47Å; F98-V104 HydrophobicContact CB-CG2 3.91Å; F98-F107 HydrophobicContact CD2-CD2 4.45Å; F98-F107 AromaticContact CD2-CE2 3.84Å; F98-F107 HydrophobicContact CD2-CE2 3.84Å; F98-F107 HydrophobicContact CE2-CE2 4.06Å; F98-V123 HydrophobicContact CB-CG1 4.22Å; F98-V123 HydrophobicContact CD1-CB 4.48Å; F98-V123 HydrophobicContact CD1-CG1 4.12Å; F98-V123 HydrophobicContact CD1-CG2 4.14Å; F98-V123 HydrophobicContact CD2-CG2 3.93Å; F98-V123 HydrophobicContact CE1-CG2 4Å; F98-V123 HydrophobicContact CE2-CG2 3.77Å; F98-V123 HydrophobicContact CG-CG1 4.07Å; F98-V123 HydrophobicContact CG-CG2 4.12Å; F98-V123 HydrophobicContact CZ-CG2 3.82Å; F98-F125 HydrophobicContact CD1-CZ 4.02Å; F98-F138 AromaticContact CD1-CD2 3.92Å; F98-F138 HydrophobicContact CD1-CD2 3.92Å; F98-F138 AromaticContact CD1-CE2 3.29Å; F98-F138 HydrophobicContact CD1-CE2 3.29Å; F98-F138 AromaticContact CD1-CZ 3.91Å; F98-F138 HydrophobicContact CD1-CZ 3.91Å; F98-F138 AromaticContact CE1-CD2 3.42Å; F98-F138 HydrophobicContact CE1-CD2 3.42Å; F98-F138 VanDerWaalsContact CE1-CD2 3.42Å; F98-F138 AromaticContact CE1-CE2 3.29Å; F98-F138 HydrophobicContact CE1-CE2 3.29Å; F98-F138 HydrophobicContact CE1-CG 4.21Å; F98-F138 AromaticContact CE1-CZ 4Å; F98-F138 HydrophobicContact CE1-CZ 4Å; F98-F138 HydrophobicContact CG-CE2 4.22Å; F98-F138 HydrophobicContact CG-CZ 4.45Å; F98-F138 HydrophobicContact CZ-CD2 4.27Å; F98-F138 HydrophobicContact CZ-CE2 4.22Å
99K90.3Very high89Confident95 Ų9545.2 Ų45.241%0.41323%0.233SC..Hα-helixtrans-60.6-21.2173.7-73.1177.2176.71760112.4L95 P96 I101 V104 E189L95-K99 HydrophobicContact CD2-CD 4.08Å; L95-K99 VanDerWaalsContact CD2-CE 3.4Å; L95-K99 HydrophobicContact CG-CD 4.1Å; L95-K99 HydrophobicContact CG-CG 4.44Å; L95-K99 WeakPolarHBondContact O-CB 3.24Å; L95-K99 WeakPolarHBondContact O-CG 3.07Å; L95-K99 PolarHBondContact O-N 3.2Å; P96-K99 CarbonylContact O-C 3.44Å; P96-K99 PolarHBondContact O-N 2.65Å; K99-I101 VanDerWaalsContact C-N 3.3Å; K99-I101 PolarHBondContact O-N 2.81Å; K99-V104 HydrophobicContact CG-CG2 4.36Å; K99-E189 IonicContact NZ-OE1 2.96Å; K99-E189 PolarHBondContact NZ-OE1 2.7Å; K99-E189 IonicContact NZ-OE2 2.72Å; K99-E189 PolarHBondContact NZ-OE2 2.97Å
100S91Very high89.1Confident71 Ų7138 Ų3850%0.49720%0.199SC..THydrogen-bonded Turntrans-71-17.1177.981.90000115.3P96 E97 F98 K137P96-S100 WeakPolarHBondContact O-CB 3.49Å; P96-S100 PolarHBondContact O-N 3.11Å; E97-S100 WeakPolarHBondContact O-CB 3.29Å; E97-S100 PolarHBondContact O-N 2.72Å; E97-S100 PolarHBondContact O-OG 3.13Å; F98-S100 PolarHBondContact O-N 2.73Å; S100-K137 PolarHBondContact OG-NZ 2.98Å; S100-K137 VanDerWaalsContact OG-NZ 3.09Å
101I87.8Confident88.9Confident30 Ų3038.5 Ų38.515%0.15420%0.204CC..THydrogen-bonded Turntrans-100.8-41-178.8-66.4142.6000110.2F98 K99 L130 E133 A134 K137 F138F98-I101 PolarHBondContact O-N 3.47Å; K99-I101 VanDerWaalsContact C-N 3.3Å; K99-I101 PolarHBondContact O-N 2.81Å; I101-L130 WeakPolarHBondContact O-CD2 3.27Å; I101-E133 HydrophobicContact CG2-CB 4.24Å; I101-A134 HydrophobicContact CD1-CB 4.14Å; I101-A134 HydrophobicContact CG2-CB 4.27Å; I101-K137 HydrophobicContact CD1-CD 3.77Å; I101-K137 HydrophobicContact CD1-CG 4.48Å; I101-K137 HydrophobicContact CG1-CD 3.81Å; I101-F138 HydrophobicContact CD1-CD2 4.09Å; I101-F138 HydrophobicContact CD1-CE2 3.15Å; I101-F138 HydrophobicContact CD1-CZ 3.55Å
102G88.1Confident88.8Confident14 Ų1438.3 Ų38.314%0.14420%0.203CC..SBendtrans-173177.2-179.700000113.3V104G102-V104 PolarHBondContact O-N 2.92Å; G102-V104 VanDerWaalsContact O-N 3.08Å
103K88.7Confident88.5Confident135 Ų13534.4 Ų34.459%0.58719%0.185SC*.  trans-67.5107179.3179.8174.9157.2-139.70110.4D126K103-D126 HydrophobicContact CB-CB 4.38Å; K103-D126 WeakPolarHBondContact CD-OD2 3.48Å; K103-D126 WeakPolarHBondContact CE-OD2 3.07Å; K103-D126 IonicContact NZ-OD1 3.74Å; K103-D126 IonicContact NZ-OD2 2.67Å; K103-D126 PolarHBondContact NZ-OD2 3.23Å; K103-D126 PolarHBondContact O-N 3.35Å; K103-D126 VanDerWaalsContact O-N 3.13Å
104V90.6Very high88.2Confident15 Ų1531.3 Ų31.39%0.09117%0.168CC..EExtended strand (participates in β ladder)trans-73.4124.2169.8179.30000108.6F98 K99 G102 Q106 F107 V123 Q124 F125 F190F98-V104 HydrophobicContact CB-CG2 3.91Å; K99-V104 HydrophobicContact CG-CG2 4.36Å; G102-V104 PolarHBondContact O-N 2.92Å; G102-V104 VanDerWaalsContact O-N 3.08Å; V104-Q106 VanDerWaalsContact CG1-O 3.29Å; V104-Q106 WeakPolarHBondContact CG1-O 3.46Å; V104-F107 HydrophobicContact CG1-CB 4.33Å; V104-V123 HydrophobicContact CG1-CG1 3.86Å; V104-V123 HydrophobicContact CG2-CG1 3.98Å; V104-Q124 CarbonylContact C-O 3.57Å; V104-Q124 WeakPolarHBondContact CA-O 3.47Å; V104-F125 HydrophobicContact CG2-CD1 4.31Å; V104-F125 HydrophobicContact CG2-CE1 3.92Å; V104-F190 HydrophobicContact CG1-CE1 4.01Å; V104-F190 HydrophobicContact CG1-CZ 3.98Å
105V87.4Confident88Confident43 Ų4335.7 Ų35.726%0.26120%0.196SC..EExtended strand (participates in β ladder)trans-93.7-33176.6177.60000111.2Q124 D126 F190V105-Q124 PolarHBondContact N-O 2.72Å; V105-D126 HydrophobicContact CG2-CB 4.02Å; V105-F190 WeakPolarHBondContact O-CD1 3.22Å
106Q85.8Confident87.9Confident14 Ų1436.2 Ų36.27%0.06520%0.199CC..EExtended strand (participates in β ladder)trans-143.3142.7170.8-57.1-160.829.600111.7V104 V123 Q124 W158 A193V104-Q106 VanDerWaalsContact CG1-O 3.29Å; V104-Q106 WeakPolarHBondContact CG1-O 3.46Å; Q106-V123 CarbonylContact O-C 3.54Å; Q106-V123 WeakPolarHBondContact O-CA 3.47Å; Q106-Q124 HydrophobicContact CB-CB 3.94Å; Q106-Q124 HydrophobicContact CG-CB 4.38Å; Q106-Q124 PolarHBondContact N-O 2.74Å; Q106-Q124 PolarHBondContact O-N 2.72Å; Q106-W158 VanDerWaalsContact NE2-NE1 3.11Å; Q106-A193 HydrophobicContact CG-CB 3.68Å
107F89.9Confident87.8Confident0 Ų032.8 Ų32.80%018%0.176CC..EExtended strand (participates in β ladder)trans-126.5127.1167.2-172.7-99.9000108.5F90 Y91 V94 L95 F98 V104 V109 V121 V123 N185 F190F90-F107 HydrophobicContact CE1-CZ 4.29Å; Y91-F107 AromaticContact CD2-CD1 3.81Å; Y91-F107 HydrophobicContact CD2-CD1 3.81Å; Y91-F107 AromaticContact CD2-CE1 3.75Å; Y91-F107 HydrophobicContact CD2-CE1 3.75Å; Y91-F107 AromaticContact CE2-CD1 3.69Å; Y91-F107 HydrophobicContact CE2-CD1 3.69Å; Y91-F107 HydrophobicContact CE2-CE1 4.12Å; V94-F107 HydrophobicContact CG1-CE2 4.19Å; V94-F107 HydrophobicContact CG1-CZ 4.05Å; L95-F107 HydrophobicContact CD1-CB 3.8Å; L95-F107 HydrophobicContact CD1-CD1 3.98Å; L95-F107 HydrophobicContact CD1-CD2 3.92Å; L95-F107 HydrophobicContact CD1-CE1 4.5Å; L95-F107 HydrophobicContact CD1-CE2 4.47Å; L95-F107 HydrophobicContact CD1-CG 3.64Å; F98-F107 HydrophobicContact CD2-CD2 4.45Å; F98-F107 AromaticContact CD2-CE2 3.84Å; F98-F107 HydrophobicContact CD2-CE2 3.84Å; F98-F107 HydrophobicContact CE2-CE2 4.06Å; V104-F107 HydrophobicContact CG1-CB 4.33Å; F107-V109 HydrophobicContact CD1-CG2 4.13Å; F107-V109 HydrophobicContact CE1-CG2 3.42Å; F107-V109 VanDerWaalsContact CE1-CG2 3.42Å; F107-V109 HydrophobicContact CZ-CG2 3.91Å; F107-V121 HydrophobicContact CD2-CG1 4.4Å; F107-V121 HydrophobicContact CE2-CG1 3.66Å; F107-V121 HydrophobicContact CZ-CG1 3.83Å; F107-V123 HydrophobicContact CD2-CG1 4.49Å; F107-V123 HydrophobicContact CD2-CG2 3.83Å; F107-V123 HydrophobicContact CE2-CG2 3.99Å; F107-N185 PolarHBondContact O-ND2 2.89Å; F107-N185 PolarHBondContact O-OD1 2.89Å; F107-F190 HydrophobicContact CB-CD2 4.37Å; F107-F190 HydrophobicContact CB-CE2 3.7Å; F107-F190 HydrophobicContact CB-CZ 4.01Å
108K88.1Confident87.7Confident4 Ų431.3 Ų31.32%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-139.9121.9-178.5-59.8-66.8153-176.10110.9V121 Y122 W158 V182 D194K108-V121 WeakPolarHBondContact O-CA 3.38Å; K108-Y122 PolarHBondContact N-O 3.15Å; K108-Y122 PolarHBondContact O-N 3Å; K108-W158 HydrophobicContact CB-CZ3 4.27Å; K108-W158 HydrophobicContact CG-CE3 4.2Å; K108-W158 HydrophobicContact CG-CZ3 3.97Å; K108-V182 HydrophobicContact CB-CG1 4.15Å; K108-D194 IonicContact NZ-OD1 2.71Å; K108-D194 PolarHBondContact NZ-OD1 2.98Å; K108-D194 IonicContact NZ-OD2 3.23Å; K108-D194 PolarHBondContact NZ-OD2 3.06Å
109V89.4Confident87.6Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-108.2130.9177.8-176.60000109.4F57 F87 F90 F107 V121 V182 F183F57-V109 HydrophobicContact CB-CG1 3.61Å; F57-V109 HydrophobicContact CD1-CG1 3.95Å; F57-V109 HydrophobicContact CD2-CG1 4.46Å; F57-V109 HydrophobicContact CG-CG1 3.75Å; F87-V109 HydrophobicContact CD2-CB 4.19Å; F87-V109 HydrophobicContact CD2-CG1 4.28Å; F87-V109 HydrophobicContact CD2-CG2 4.36Å; F87-V109 HydrophobicContact CE2-CB 3.75Å; F87-V109 HydrophobicContact CE2-CG1 4.34Å; F87-V109 HydrophobicContact CE2-CG2 3.73Å; F90-V109 HydrophobicContact CD1-CG2 4.36Å; F90-V109 HydrophobicContact CE1-CG1 4.39Å; F90-V109 HydrophobicContact CE1-CG2 3.94Å; F107-V109 HydrophobicContact CD1-CG2 4.13Å; F107-V109 HydrophobicContact CE1-CG2 3.42Å; F107-V109 VanDerWaalsContact CE1-CG2 3.42Å; F107-V109 HydrophobicContact CZ-CG2 3.91Å; V109-V121 HydrophobicContact CG1-CG2 4.17Å; V109-V121 HydrophobicContact CG2-CG1 4.33Å; V109-V121 HydrophobicContact CG2-CG2 4.1Å; V109-V182 WeakPolarHBondContact O-CA 3.49Å; V109-F183 HydrophobicContact CB-CD2 4.07Å; V109-F183 HydrophobicContact CG1-CD2 3.94Å; V109-F183 HydrophobicContact CG1-CE2 4.21Å; V109-F183 PolarHBondContact O-N 2.82Å
110C88.6Confident87.7Confident0 Ų027 Ų270%015%0.149CC..BIsolated β-bridgetrans-99.5125.2-172.9-62.20000113.4L117 G119 N120 Y122 H181C110-L117 WeakPolarHBondContact CB-O 3.5Å; C110-G119 PolarHBondContact O-N 3.36Å; C110-G119 VanDerWaalsContact O-N 3.11Å; C110-N120 HydrophobicContact CB-CB 4.39Å; C110-N120 WeakPolarHBondContact CB-O 3.45Å; C110-N120 PolarHBondContact N-O 3.09Å; C110-Y122 WeakPolarHBondContact SG-CE2 3.41Å; C110-H181 CarbonylContact C-O 3.5Å; C110-H181 VanDerWaalsContact CA-O 3.24Å; C110-H181 WeakPolarHBondContact CA-O 3.5Å
111C85.1Confident87.8Confident22 Ų2223.6 Ų23.615%0.14913%0.126CC..  trans-95.617.3175.862.40000113.8M62 F166 H181 F183M62-C111 HydrophobicContact CE-CB 3.65Å; C111-F166 WeakPolarHBondContact SG-CZ 3.38Å; C111-H181 PolarHBondContact N-O 3.24Å; C111-H181 PolarHBondContact SG-O 2.74Å; C111-F183 HydrophobicContact CB-CD2 4.13Å; C111-F183 HydrophobicContact CB-CE1 4.06Å; C111-F183 HydrophobicContact CB-CE2 3.6Å; C111-F183 HydrophobicContact CB-CZ 3.57Å
112N86.4Confident88Confident1 Ų122.1 Ų22.11%0.00512%0.118CC..  trans-56.1140.3176.1-74.182.4000112.1L117 R118 C177 F179 H181N112-L117 HydrophobicContact CB-CB 3.41Å; N112-L117 VanDerWaalsContact CB-CB 3.41Å; N112-L117 HydrophobicContact CB-CD1 4.46Å; N112-L117 WeakPolarHBondContact ND2-CD1 3.24Å; N112-R118 WeakPolarHBondContact O-CA 3.35Å; N112-R118 VanDerWaalsContact O-CB 3.27Å; N112-R118 WeakPolarHBondContact O-CB 3.48Å; N112-R118 WeakPolarHBondContact O-CG 3.43Å; N112-C177 PolarHBondContact ND2-O 3.07Å; N112-C177 VanDerWaalsContact ND2-O 3.13Å; N112-F179 PolarHBondContact ND2-O 2.84Å; N112-H181 PolarHBondContact OD1-N 2.86Å
113H81.3Confident88.2Confident47 Ų4721.5 Ų21.522%0.21811%0.111CC..SBendtrans-86.1-27.6178.8-155.287.7000112.5E64 R118 K175E64-H113 IonicContact OE2-CE1 2.8Å; E64-H113 PolarHBondContact OE2-CE1 2.68Å; E64-H113 IonicContact OE2-NE2 3.62Å; E64-H113 PolarHBondContact OE2-NE2 2.58Å; H113-R118 VanDerWaalsContact O-CZ 3.27Å; H113-R118 PolarHBondContact O-NE 3.13Å; H113-R118 PolarHBondContact O-NH2 3.08Å; H113-K175 HydrophobicContact CB-CB 3.92Å; H113-K175 HydrophobicContact CB-CG 3.98Å; H113-K175 VanDerWaalsContact CD2-CD 3.48Å; H113-K175 WeakPolarHBondContact CD2-CD 3.49Å; H113-K175 PolarHBondContact CE1-NZ 2.71Å; H113-K175 WeakPolarHBondContact NE2-CE 3.27Å; H113-K175 PolarHBondContact NE2-NZ 2.91Å
114E84.5Confident88.3Confident18 Ų1816.5 Ų16.58%0.0849%0.09CC..SBendtrans-70.4131177.1-169.580.1-148.700111.6R33 H116 L117 R118 K175 N176R33-E114 IonicContact CZ-OE1 3.35Å; R33-E114 VanDerWaalsContact CZ-OE1 3.29Å; R33-E114 IonicContact NE-OE1 2.67Å; R33-E114 PolarHBondContact NE-OE1 3.33Å; R33-E114 IonicContact NE-OE2 3.54Å; R33-E114 IonicContact NH2-OE1 3.22Å; R33-E114 PolarHBondContact NH2-OE1 3.45Å; R33-E114 IonicContact NH2-OE2 2.73Å; E114-H116 VanDerWaalsContact CG-ND1 3.29Å; E114-H116 WeakPolarHBondContact CG-ND1 3.49Å; E114-H116 PolarHBondContact O-N 3.48Å; E114-L117 PolarHBondContact O-N 3.42Å; E114-R118 PolarHBondContact O-N 3.35Å; E114-R118 VanDerWaalsContact O-N 3.09Å; E114-K175 PolarHBondContact N-O 2.95Å; E114-N176 PolarHBondContact OE2-ND2 2.89Å
115P84.7Confident88.4Confident97 Ų9715.9 Ų15.963%0.639%0.086SC*.THydrogen-bonded Turntrans-66.5-10.5-163.424.4-36.2000116.6
116H87.3Confident88.6Confident20 Ų2018 Ų189%0.09310%0.096CC..THydrogen-bonded Turntrans-83.5-13.9175.274.6-79.4000113.8A31 R33 E114 N120A31-H116 WeakPolarHBondContact CB-O 3.01Å; R33-H116 PolarHBondContact N-CD2 3.41Å; R33-H116 VanDerWaalsContact N-CD2 3.27Å; R33-H116 PolarHBondContact N-NE2 3.06Å; E114-H116 VanDerWaalsContact CG-ND1 3.29Å; E114-H116 WeakPolarHBondContact CG-ND1 3.49Å; E114-H116 PolarHBondContact O-N 3.48Å; H116-N120 PolarHBondContact O-ND2 2.93Å
117L88.7Confident88.9Confident0 Ų020.1 Ų20.10%011%0.11CC..THydrogen-bonded Turntrans-121.6-17178.1-64.7179.1000113.4A31 C110 N112 E114 G119 N120 L180A31-L117 HydrophobicContact CB-CD2 3.68Å; C110-L117 WeakPolarHBondContact CB-O 3.5Å; N112-L117 HydrophobicContact CB-CB 3.41Å; N112-L117 VanDerWaalsContact CB-CB 3.41Å; N112-L117 HydrophobicContact CB-CD1 4.46Å; N112-L117 WeakPolarHBondContact ND2-CD1 3.24Å; E114-L117 PolarHBondContact O-N 3.42Å; L117-G119 PolarHBondContact O-N 2.84Å; L117-N120 WeakPolarHBondContact O-CB 3.4Å; L117-N120 PolarHBondContact O-N 3.26Å; L117-L180 HydrophobicContact CD1-CD2 4.29Å; L117-L180 HydrophobicContact CD2-CD2 3.64Å; L117-L180 HydrophobicContact CG-CD2 4.48Å
118R88.3Confident89Confident31 Ų3123.7 Ų23.712%0.11713%0.127CC..THydrogen-bonded Turntrans-56.8117.2-177.4-175.2-169.4-67.9-170.32.3112.1M62 N112 H113 E114 N120M62-R118 HydrophobicContact CB-CG 4.44Å; M62-R118 VanDerWaalsContact O-CD 3.24Å; M62-R118 WeakPolarHBondContact O-CD 3.36Å; M62-R118 PolarHBondContact O-NE 2.89Å; M62-R118 PolarHBondContact O-NH1 2.77Å; N112-R118 WeakPolarHBondContact O-CA 3.35Å; N112-R118 VanDerWaalsContact O-CB 3.27Å; N112-R118 WeakPolarHBondContact O-CB 3.48Å; N112-R118 WeakPolarHBondContact O-CG 3.43Å; H113-R118 VanDerWaalsContact O-CZ 3.27Å; H113-R118 PolarHBondContact O-NE 3.13Å; H113-R118 PolarHBondContact O-NH2 3.08Å; E114-R118 PolarHBondContact O-N 3.35Å; E114-R118 VanDerWaalsContact O-N 3.09Å; R118-N120 PolarHBondContact O-N 2.8Å
119G87.9Confident89.2Confident0 Ų030 Ų300%016%0.156CC..THydrogen-bonded Turntrans74.68.3175.300000115.2G55 M56 F57 C110 L117 V121G55-G119 CarbonylContact C-O 3.6Å; M56-G119 PolarHBondContact N-O 2.75Å; F57-G119 PolarHBondContact N-O 2.95Å; F57-G119 VanDerWaalsContact N-O 3.11Å; F57-G119 WeakPolarHBondContact O-CA 3.31Å; C110-G119 PolarHBondContact O-N 3.36Å; C110-G119 VanDerWaalsContact O-N 3.11Å; L117-G119 PolarHBondContact O-N 2.84Å; G119-V121 PolarHBondContact O-N 3.13Å
120N92.6Very high89.4Confident4 Ų431.8 Ų31.82%0.02117%0.166CC..  trans-68.4130.4178.2-74.61000110.5L52 V53 R54 G55 C110 H116 L117 R118 Y122L52-N120 HydrophobicContact CD1-CB 3.74Å; V53-N120 WeakPolarHBondContact O-CA 3.34Å; R54-N120 WeakPolarHBondContact CA-OD1 3.08Å; G55-N120 PolarHBondContact N-OD1 2.83Å; G55-N120 VanDerWaalsContact N-OD1 3.15Å; C110-N120 HydrophobicContact CB-CB 4.39Å; C110-N120 WeakPolarHBondContact CB-O 3.45Å; C110-N120 PolarHBondContact N-O 3.09Å; H116-N120 PolarHBondContact O-ND2 2.93Å; L117-N120 WeakPolarHBondContact O-CB 3.4Å; L117-N120 PolarHBondContact O-N 3.26Å; R118-N120 PolarHBondContact O-N 2.8Å; N120-Y122 HydrophobicContact CB-CD2 4.35Å; N120-Y122 HydrophobicContact CB-CE2 3.59Å
121V92Very high89.6Confident0 Ų031.8 Ų31.80%017%0.166CC..EExtended strand (participates in β ladder)trans-109128175179.40000108.1L52 V53 M56 F57 F90 F107 K108 V109 G119 V123L52-V121 CarbonylContact C-O 3.49Å; L52-V121 WeakPolarHBondContact CA-O 3.21Å; V53-V121 HydrophobicContact CB-CB 4.48Å; V53-V121 PolarHBondContact N-O 3.31Å; V53-V121 PolarHBondContact O-N 2.83Å; M56-V121 HydrophobicContact CB-CB 4.49Å; M56-V121 HydrophobicContact CB-CG2 3.89Å; M56-V121 HydrophobicContact CG-CG2 4.38Å; M56-V121 HydrophobicContact SD-CG2 4.33Å; F57-V121 HydrophobicContact CB-CG2 4.4Å; F90-V121 HydrophobicContact CE1-CG2 3.9Å; F90-V121 HydrophobicContact CZ-CG2 3.8Å; F107-V121 HydrophobicContact CD2-CG1 4.4Å; F107-V121 HydrophobicContact CE2-CG1 3.66Å; F107-V121 HydrophobicContact CZ-CG1 3.83Å; K108-V121 WeakPolarHBondContact O-CA 3.38Å; V109-V121 HydrophobicContact CG1-CG2 4.17Å; V109-V121 HydrophobicContact CG2-CG1 4.33Å; V109-V121 HydrophobicContact CG2-CG2 4.1Å; G119-V121 PolarHBondContact O-N 3.13Å; V121-V123 HydrophobicContact CG1-CG2 4.04Å
122Y92.3Very high89.9Confident0 Ų034.8 Ų34.80%018%0.176CC..EExtended strand (participates in β ladder)trans-114.1131.1176.5-58-109.7000109T29 L51 L52 K108 C110 N120 W158 L180T29-Y122 VanDerWaalsContact O-CE1 3.22Å; T29-Y122 WeakPolarHBondContact O-CE1 3.43Å; T29-Y122 PolarHBondContact O-OH 3.29Å; L51-Y122 WeakPolarHBondContact O-CA 3.22Å; L52-Y122 HydrophobicContact CB-CD1 4.33Å; L52-Y122 HydrophobicContact CB-CE1 4.4Å; L52-Y122 HydrophobicContact CD1-CD1 4.1Å; L52-Y122 HydrophobicContact CD1-CD2 4.24Å; L52-Y122 HydrophobicContact CD1-CE1 3.81Å; L52-Y122 HydrophobicContact CD1-CE2 3.93Å; L52-Y122 HydrophobicContact CD1-CG 4.3Å; L52-Y122 HydrophobicContact CD2-CE1 4.22Å; L52-Y122 HydrophobicContact CG-CE1 4.37Å; K108-Y122 PolarHBondContact N-O 3.15Å; K108-Y122 PolarHBondContact O-N 3Å; C110-Y122 WeakPolarHBondContact SG-CE2 3.41Å; N120-Y122 HydrophobicContact CB-CD2 4.35Å; N120-Y122 HydrophobicContact CB-CE2 3.59Å; Y122-W158 HydrophobicContact CD1-CH2 4.5Å; Y122-W158 HydrophobicContact CG-CH2 4.37Å; Y122-W158 HydrophobicContact CG-CZ3 4.29Å; Y122-L180 HydrophobicContact CD2-CD1 4.35Å; Y122-L180 HydrophobicContact CE1-CD1 4.47Å; Y122-L180 HydrophobicContact CE2-CD1 4.01Å; Y122-L180 HydrophobicContact CE2-CD2 3.96Å; Y122-L180 WeakPolarHBondContact OH-CD2 3.35Å
123V92.3Very high90.2Very high0 Ų040.4 Ų40.40%020%0.203CC..EExtended strand (participates in β ladder)trans-128.5116.6-178.2-169.20000108.2L51 F98 V104 Q106 F107 V121 F125L51-V123 HydrophobicContact CB-CB 4.47Å; L51-V123 PolarHBondContact N-O 3.31Å; L51-V123 PolarHBondContact O-N 3.23Å; F98-V123 HydrophobicContact CB-CG1 4.22Å; F98-V123 HydrophobicContact CD1-CB 4.48Å; F98-V123 HydrophobicContact CD1-CG1 4.12Å; F98-V123 HydrophobicContact CD1-CG2 4.14Å; F98-V123 HydrophobicContact CD2-CG2 3.93Å; F98-V123 HydrophobicContact CE1-CG2 4Å; F98-V123 HydrophobicContact CE2-CG2 3.77Å; F98-V123 HydrophobicContact CG-CG1 4.07Å; F98-V123 HydrophobicContact CG-CG2 4.12Å; F98-V123 HydrophobicContact CZ-CG2 3.82Å; V104-V123 HydrophobicContact CG1-CG1 3.86Å; V104-V123 HydrophobicContact CG2-CG1 3.98Å; Q106-V123 CarbonylContact O-C 3.54Å; Q106-V123 WeakPolarHBondContact O-CA 3.47Å; F107-V123 HydrophobicContact CD2-CG1 4.49Å; F107-V123 HydrophobicContact CD2-CG2 3.83Å; F107-V123 HydrophobicContact CE2-CG2 3.99Å; V121-V123 HydrophobicContact CG1-CG2 4.04Å; V123-F125 HydrophobicContact CB-CE2 4.31Å; V123-F125 HydrophobicContact CG1-CD2 4.43Å; V123-F125 HydrophobicContact CG1-CE1 4.5Å; V123-F125 HydrophobicContact CG1-CE2 3.83Å; V123-F125 HydrophobicContact CG1-CZ 3.88Å
124Q91.8Very high90.7Very high30 Ų3038.2 Ų38.214%0.1419%0.192CC..EExtended strand (participates in β ladder)trans-99.1128.2173.8-168.2176.5-4.300109.6P49 V104 V105 Q106 W158P49-Q124 HydrophobicContact CB-CG 4.16Å; P49-Q124 CarbonylContact O-C 3.53Å; P49-Q124 WeakPolarHBondContact O-CA 3.28Å; V104-Q124 CarbonylContact C-O 3.57Å; V104-Q124 WeakPolarHBondContact CA-O 3.47Å; V105-Q124 PolarHBondContact N-O 2.72Å; Q106-Q124 HydrophobicContact CB-CB 3.94Å; Q106-Q124 HydrophobicContact CG-CB 4.38Å; Q106-Q124 PolarHBondContact N-O 2.74Å; Q106-Q124 PolarHBondContact O-N 2.72Å; Q124-W158 HydrophobicContact CB-CZ2 4.11Å
125F92.3Very high91.1Very high2 Ų240 Ų401%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-98.6164.8172.9-66.9-84.5000111.3P49 L51 F98 V104 V123 T127 L130 C131 A134P49-F125 WeakPolarHBondContact CB-O 3.36Å; P49-F125 PolarHBondContact O-N 3.44Å; L51-F125 HydrophobicContact CB-CE2 4.4Å; L51-F125 HydrophobicContact CD2-CE2 4.46Å; F98-F125 HydrophobicContact CD1-CZ 4.02Å; V104-F125 HydrophobicContact CG2-CD1 4.31Å; V104-F125 HydrophobicContact CG2-CE1 3.92Å; V123-F125 HydrophobicContact CB-CE2 4.31Å; V123-F125 HydrophobicContact CG1-CD2 4.43Å; V123-F125 HydrophobicContact CG1-CE1 4.5Å; V123-F125 HydrophobicContact CG1-CE2 3.83Å; V123-F125 HydrophobicContact CG1-CZ 3.88Å; F125-T127 VanDerWaalsContact C-N 3.32Å; F125-L130 HydrophobicContact CB-CB 4.14Å; F125-L130 HydrophobicContact CD1-CB 4.19Å; F125-L130 HydrophobicContact CG-CB 4.24Å; F125-C131 HydrophobicContact CD2-CB 3.89Å; F125-A134 HydrophobicContact CE2-CB 3.67Å; F125-A134 HydrophobicContact CZ-CB 3.58Å
126D90.8Very high91.5Very high88 Ų8840.8 Ų40.847%0.47120%0.203SC..SBendtrans-67.3-31.8176-136.19.4000112.3K103 V105K103-D126 HydrophobicContact CB-CB 4.38Å; K103-D126 WeakPolarHBondContact CD-OD2 3.48Å; K103-D126 WeakPolarHBondContact CE-OD2 3.07Å; K103-D126 IonicContact NZ-OD1 3.74Å; K103-D126 IonicContact NZ-OD2 2.67Å; K103-D126 PolarHBondContact NZ-OD2 3.23Å; K103-D126 PolarHBondContact O-N 3.35Å; K103-D126 VanDerWaalsContact O-N 3.13Å; V105-D126 HydrophobicContact CG2-CB 4.02Å
127T92.3Very high91.7Very high58 Ų5844.5 Ų44.536%0.35622%0.219SC..SBendtrans-130.3154.6177.676.30000112.2F125 E129 L130 C131F125-T127 VanDerWaalsContact C-N 3.32Å; T127-E129 PolarHBondContact O-N 2.78Å; T127-L130 WeakPolarHBondContact OG1-CG 3.46Å; T127-L130 PolarHBondContact OG1-N 3.12Å; T127-C131 PolarHBondContact O-N 3.22Å
128E91.9Very high91.8Very high76 Ų7644.8 Ų44.836%0.35522%0.22SC..Hα-helixtrans-71.1-18.3177.2-47-159.7154.100113.1S47 P49 K132S47-E128 WeakPolarHBondContact CB-OE2 3.47Å; S47-E128 PolarHBondContact OG-OE2 2.82Å; P49-E128 WeakPolarHBondContact CD-OE1 3.49Å; E128-K132 WeakPolarHBondContact O-CG 3.24Å; E128-K132 PolarHBondContact O-N 3.11Å; E128-K132 VanDerWaalsContact O-N 3.12Å
129E92.6Very high92Very high135 Ų13547.1 Ų47.163%0.63123%0.234SC*.Hα-helixtrans-73.8-49.3179.6-65.4172.4162.800110.3T127 C131 K132 E133T127-E129 PolarHBondContact O-N 2.78Å; E129-C131 PolarHBondContact O-N 2.95Å; E129-K132 WeakPolarHBondContact O-CA 3.48Å; E129-K132 WeakPolarHBondContact O-CB 3.37Å; E129-K132 PolarHBondContact O-N 2.88Å; E129-E133 PolarHBondContact O-N 3Å
130L93.6Very high92.1Very high39 Ų3948.9 Ų48.920%0.20425%0.253CS..Hα-helixtrans-57.5-35.3172.1-64.7169.6000111.7I101 F125 T127 A134I101-L130 WeakPolarHBondContact O-CD2 3.27Å; F125-L130 HydrophobicContact CB-CB 4.14Å; F125-L130 HydrophobicContact CD1-CB 4.19Å; F125-L130 HydrophobicContact CG-CB 4.24Å; T127-L130 WeakPolarHBondContact OG1-CG 3.46Å; T127-L130 PolarHBondContact OG1-N 3.12Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.24Å; L130-A134 PolarHBondContact O-N 3.44Å
131C92.4Very high92.1Very high0 Ų053.4 Ų53.40%027%0.27CS..Hα-helixtrans-66.1-38.5173.8-172.80000112.8S48 T50 F125 T127 E129 F135S48-C131 VanDerWaalsContact O-CB 3.27Å; S48-C131 WeakPolarHBondContact O-CB 3.15Å; S48-C131 PolarHBondContact O-SG 3.4Å; T50-C131 VanDerWaalsContact C-SG 3.6Å; F125-C131 HydrophobicContact CD2-CB 3.89Å; T127-C131 PolarHBondContact O-N 3.22Å; E129-C131 PolarHBondContact O-N 2.95Å; C131-F135 WeakPolarHBondContact O-CB 3.19Å; C131-F135 PolarHBondContact O-N 3Å
132K92.6Very high92Very high85 Ų8561.2 Ų61.237%0.3730%0.299SS..Hα-helixtrans-69.3-41.5174.9-70.1163.6-170.6167.30111.7E128 E129 F135 V136E128-K132 WeakPolarHBondContact O-CG 3.24Å; E128-K132 PolarHBondContact O-N 3.11Å; E128-K132 VanDerWaalsContact O-N 3.12Å; E129-K132 WeakPolarHBondContact O-CA 3.48Å; E129-K132 WeakPolarHBondContact O-CB 3.37Å; E129-K132 PolarHBondContact O-N 2.88Å; K132-F135 WeakPolarHBondContact O-CB 3.48Å; K132-F135 PolarHBondContact O-N 2.82Å; K132-V136 WeakPolarHBondContact O-CG2 3.42Å; K132-V136 PolarHBondContact O-N 3.49Å
133E92.8Very high91.8Very high119 Ų11963.9 Ų63.956%0.55631%0.309SS*.Hα-helixtrans-63.1-45175.5-69.5-176.5175.400111.5I101 E129 F135 V136 K137I101-E133 HydrophobicContact CG2-CB 4.24Å; E129-E133 PolarHBondContact O-N 3Å; E133-F135 PolarHBondContact O-N 3.21Å; E133-V136 PolarHBondContact O-N 3.17Å; E133-K137 WeakPolarHBondContact O-CB 3.43Å; E133-K137 PolarHBondContact O-N 3.34Å
134A92.4Very high91.5Very high0 Ų067.4 Ų67.40%034%0.339CS..Hα-helixtrans-60.6-43.1173.200000112L51 I101 F125 L130 V136 K137 F138L51-A134 HydrophobicContact CD2-CB 4.04Å; I101-A134 HydrophobicContact CD1-CB 4.14Å; I101-A134 HydrophobicContact CG2-CB 4.27Å; F125-A134 HydrophobicContact CE2-CB 3.67Å; F125-A134 HydrophobicContact CZ-CB 3.58Å; L130-A134 VanDerWaalsContact O-CB 3.28Å; L130-A134 WeakPolarHBondContact O-CB 3.24Å; L130-A134 PolarHBondContact O-N 3.44Å; A134-V136 PolarHBondContact O-N 2.97Å; A134-K137 PolarHBondContact O-N 3.21Å; A134-F138 HydrophobicContact CB-CD2 4.17Å; A134-F138 HydrophobicContact CB-CE2 4.3Å; A134-F138 WeakPolarHBondContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.29Å; A134-F138 PolarHBondContact O-N 3.18Å
135F92.9Very high91.1Very high55 Ų5569.2 Ų69.224%0.24137%0.365CS..Hα-helixtrans-55.5-49.8173.6175.3-87.2000111.5L51 C131 K132 E133 K137 N139 C150 I152L51-F135 HydrophobicContact CD1-CB 3.84Å; L51-F135 HydrophobicContact CD1-CD2 3.94Å; L51-F135 HydrophobicContact CD1-CG 4.4Å; C131-F135 WeakPolarHBondContact O-CB 3.19Å; C131-F135 PolarHBondContact O-N 3Å; K132-F135 WeakPolarHBondContact O-CB 3.48Å; K132-F135 PolarHBondContact O-N 2.82Å; E133-F135 PolarHBondContact O-N 3.21Å; F135-K137 PolarHBondContact O-N 2.83Å; F135-N139 WeakPolarHBondContact O-CB 3.33Å; F135-N139 PolarHBondContact O-N 3.25Å; F135-C150 HydrophobicContact CD2-CB 3.89Å; F135-C150 HydrophobicContact CE2-CB 4.21Å; F135-C150 VanDerWaalsContact CE2-O 3.23Å; F135-C150 WeakPolarHBondContact CE2-O 3.28Å; F135-I152 HydrophobicContact CD2-CD1 4.48Å; F135-I152 HydrophobicContact CD2-CG1 3.78Å; F135-I152 HydrophobicContact CE2-CG1 4.2Å; F135-I152 HydrophobicContact CG-CD1 4.49Å; F135-I152 HydrophobicContact CG-CG1 4.2Å
136V93Very high90.9Very high114 Ų11472.7 Ų72.769%0.69138%0.379SS*.Hα-helixtrans-66.4-37.2179.81750000112.3K132 E133 A134K132-V136 WeakPolarHBondContact O-CG2 3.42Å; K132-V136 PolarHBondContact O-N 3.49Å; E133-V136 PolarHBondContact O-N 3.17Å; A134-V136 PolarHBondContact O-N 2.97Å
137K91.2Very high90.9Very high99 Ų9974 Ų7443%0.4338%0.382SS..Hα-helixtrans-76.2-27.9-178.9179.5171.9158.2-167.70114S100 I101 E133 A134 F135S100-K137 PolarHBondContact OG-NZ 2.98Å; S100-K137 VanDerWaalsContact OG-NZ 3.09Å; I101-K137 HydrophobicContact CD1-CD 3.77Å; I101-K137 HydrophobicContact CD1-CG 4.48Å; I101-K137 HydrophobicContact CG1-CD 3.81Å; E133-K137 WeakPolarHBondContact O-CB 3.43Å; E133-K137 PolarHBondContact O-N 3.34Å; A134-K137 PolarHBondContact O-N 3.21Å; F135-K137 PolarHBondContact O-N 2.83Å
138F90.2Very high90.9Very high6 Ų671.9 Ų71.93%0.02637%0.368CS..Hα-helixtrans-103.3-27.2-178.3-68.1-64000115.1E97 F98 I101 A134 G140 R141 L148E97-F138 HydrophobicContact CB-CE1 4.21Å; E97-F138 HydrophobicContact CB-CZ 4.11Å; F98-F138 AromaticContact CD1-CD2 3.92Å; F98-F138 HydrophobicContact CD1-CD2 3.92Å; F98-F138 AromaticContact CD1-CE2 3.29Å; F98-F138 HydrophobicContact CD1-CE2 3.29Å; F98-F138 AromaticContact CD1-CZ 3.91Å; F98-F138 HydrophobicContact CD1-CZ 3.91Å; F98-F138 AromaticContact CE1-CD2 3.42Å; F98-F138 HydrophobicContact CE1-CD2 3.42Å; F98-F138 VanDerWaalsContact CE1-CD2 3.42Å; F98-F138 AromaticContact CE1-CE2 3.29Å; F98-F138 HydrophobicContact CE1-CE2 3.29Å; F98-F138 HydrophobicContact CE1-CG 4.21Å; F98-F138 AromaticContact CE1-CZ 4Å; F98-F138 HydrophobicContact CE1-CZ 4Å; F98-F138 HydrophobicContact CG-CE2 4.22Å; F98-F138 HydrophobicContact CG-CZ 4.45Å; F98-F138 HydrophobicContact CZ-CD2 4.27Å; F98-F138 HydrophobicContact CZ-CE2 4.22Å; I101-F138 HydrophobicContact CD1-CD2 4.09Å; I101-F138 HydrophobicContact CD1-CE2 3.15Å; I101-F138 HydrophobicContact CD1-CZ 3.55Å; A134-F138 HydrophobicContact CB-CD2 4.17Å; A134-F138 HydrophobicContact CB-CE2 4.3Å; A134-F138 WeakPolarHBondContact O-CB 3.31Å; A134-F138 WeakPolarHBondContact O-CD2 3.29Å; A134-F138 PolarHBondContact O-N 3.18Å; F138-G140 PolarHBondContact O-N 3Å; F138-R141 VanDerWaalsContact O-CB 3.28Å; F138-R141 WeakPolarHBondContact O-CB 3.45Å; F138-R141 PolarHBondContact O-N 3.33Å; F138-L148 HydrophobicContact CB-CD1 4.42Å; F138-L148 HydrophobicContact CD1-CD1 4.41Å
139N92.7Very high90.8Very high79 Ų7974 Ų7442%0.42238%0.378SS..THydrogen-bonded Turntrans-63.1122.7-177.2-166.825.3000111.1F135 R141 C150F135-N139 WeakPolarHBondContact O-CB 3.33Å; F135-N139 PolarHBondContact O-N 3.25Å; N139-R141 PolarHBondContact O-N 3.3Å; N139-C150 HydrophobicContact CB-CB 3.92Å; N139-C150 PolarHBondContact OD1-N 2.67Å
140G89.3Confident90.8Very high37 Ų3767.9 Ų67.938%0.38135%0.35SS..THydrogen-bonded Turntrans76.9-2.9-17500000115.8F138 L148F138-G140 PolarHBondContact O-N 3Å; G140-L148 PolarHBondContact N-O 2.78Å
141R92.1Very high90.7Very high100 Ų10068.2 Ų68.238%0.37735%0.35SS..  trans-64.2149.8167.2-173.2172.2173-172.5-4.9109.1E97 F138 N139 L148E97-R141 VanDerWaalsContact CD-NH1 3.33Å; E97-R141 VanDerWaalsContact CD-NH2 3.34Å; E97-R141 IonicContact OE1-CZ 2.66Å; E97-R141 IonicContact OE1-NH1 3.61Å; E97-R141 PolarHBondContact OE1-NH1 3.29Å; E97-R141 IonicContact OE1-NH2 3.43Å; E97-R141 PolarHBondContact OE1-NH2 3.32Å; E97-R141 IonicContact OE2-CZ 2.79Å; E97-R141 IonicContact OE2-NH1 3.39Å; E97-R141 PolarHBondContact OE2-NH1 3.08Å; E97-R141 IonicContact OE2-NH2 2.71Å; F138-R141 VanDerWaalsContact O-CB 3.28Å; F138-R141 WeakPolarHBondContact O-CB 3.45Å; F138-R141 PolarHBondContact O-N 3.33Å; N139-R141 PolarHBondContact O-N 3.3Å; R141-L148 HydrophobicContact CB-CD1 4.47Å; R141-L148 WeakPolarHBondContact O-CB 3.02Å; R141-L148 WeakPolarHBondContact O-CG 3.1Å; R141-L148 PolarHBondContact O-N 3.11Å
142W91Very high90.7Very high164 Ų16469.5 Ų69.562%0.62136%0.357SS*.EExtended strand (participates in β ladder)trans-93.4141.5-180-71.175.4000112.2R146 Q147W142-R146 CarbonylContact C-O 3.53Å; W142-R146 VanDerWaalsContact CA-O 3.27Å; W142-R146 WeakPolarHBondContact CA-O 3.48Å; W142-Q147 HydrophobicContact CD2-CG 3.77Å; W142-Q147 VanDerWaalsContact CE2-CG 3.46Å; W142-Q147 HydrophobicContact CE3-CG 4.19Å; W142-Q147 HydrophobicContact CG-CG 4.31Å; W142-Q147 HydrophobicContact CH2-CG 4.14Å; W142-Q147 HydrophobicContact CZ2-CG 3.71Å; W142-Q147 HydrophobicContact CZ3-CG 4.35Å
143Y88.7Confident90.5Very high55 Ų5565.6 Ų65.622%0.21634%0.34CS..EExtended strand (participates in β ladder)trans-147134.4176.2-171.1-96.6000110M56 F90 D93 V94 G145 R146 L148M56-Y143 HydrophobicContact CE-CD1 4.31Å; M56-Y143 HydrophobicContact CE-CD2 4.25Å; M56-Y143 HydrophobicContact CE-CG 4.14Å; M56-Y143 HydrophobicContact CG-CD1 4.4Å; F90-Y143 AromaticContact CD2-CE1 3.91Å; F90-Y143 HydrophobicContact CD2-CE1 3.91Å; F90-Y143 WeakPolarHBondContact CD2-OH 3.37Å; F90-Y143 HydrophobicContact CE2-CD1 4.49Å; F90-Y143 AromaticContact CE2-CE1 3.66Å; F90-Y143 HydrophobicContact CE2-CE1 3.66Å; F90-Y143 AromaticContact CE2-CZ 4Å; D93-Y143 WeakPolarHBondContact OD2-CE2 3.19Å; D93-Y143 VanDerWaalsContact OD2-CZ 3.23Å; D93-Y143 PolarHBondContact OD2-OH 3.48Å; V94-Y143 HydrophobicContact CG2-CE2 3.87Å; Y143-G145 PolarHBondContact O-N 2.6Å; Y143-R146 PolarHBondContact N-O 3.13Å; Y143-R146 PolarHBondContact O-N 2.86Å; Y143-R146 VanDerWaalsContact O-O 3.07Å; Y143-L148 HydrophobicContact CG-CD2 4.38Å
144A84.6Confident90.1Very high74 Ų7461 Ų6161%0.61232%0.321SS*.THydrogen-bonded Turntrans43.344.4178.500000114.5R146A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 3.19Å
145G84.6Confident89.7Confident68 Ų6861.1 Ų61.170%0.70132%0.321SS*.THydrogen-bonded Turntrans73.29.3-179.800000116.2Y143Y143-G145 PolarHBondContact O-N 2.6Å
146R86.6Confident89Confident76 Ų7662.4 Ų62.429%0.28733%0.334SS..EExtended strand (participates in β ladder)trans-123.8159.7176.5-56.3-167.3-58.7-762.7111.3G55 M56 W142 Y143 A144G55-R146 PolarHBondContact O-NH2 2.79Å; M56-R146 PolarHBondContact O-NH2 2.97Å; W142-R146 CarbonylContact C-O 3.53Å; W142-R146 VanDerWaalsContact CA-O 3.27Å; W142-R146 WeakPolarHBondContact CA-O 3.48Å; Y143-R146 PolarHBondContact N-O 3.13Å; Y143-R146 PolarHBondContact O-N 2.86Å; Y143-R146 VanDerWaalsContact O-O 3.07Å; A144-R146 VanDerWaalsContact C-N 3.3Å; A144-R146 PolarHBondContact O-N 3.19Å
147Q90.9Very high88.5Confident116 Ų11665.7 Ų65.754%0.54233%0.334SS..EExtended strand (participates in β ladder)trans-82.9138.6166.7-68173.112.200109.9W142W142-Q147 HydrophobicContact CD2-CG 3.77Å; W142-Q147 VanDerWaalsContact CE2-CG 3.46Å; W142-Q147 HydrophobicContact CE3-CG 4.19Å; W142-Q147 HydrophobicContact CG-CG 4.31Å; W142-Q147 HydrophobicContact CH2-CG 4.14Å; W142-Q147 HydrophobicContact CZ2-CG 3.71Å; W142-Q147 HydrophobicContact CZ3-CG 4.35Å
148L92Very high88.1Confident13 Ų1361.7 Ų61.77%0.06832%0.316CS..  trans-74.9125.5173.6-64.1-176.2000110.2V53 M56 F138 G140 R141 Y143V53-L148 HydrophobicContact CG1-CB 4.08Å; V53-L148 HydrophobicContact CG1-CD2 4.01Å; V53-L148 HydrophobicContact CG1-CG 4.47Å; M56-L148 HydrophobicContact CB-CD2 4.26Å; M56-L148 HydrophobicContact CE-CD1 4.1Å; M56-L148 HydrophobicContact CE-CD2 4.01Å; M56-L148 HydrophobicContact CG-CD2 3.63Å; M56-L148 HydrophobicContact SD-CD2 3.97Å; F138-L148 HydrophobicContact CB-CD1 4.42Å; F138-L148 HydrophobicContact CD1-CD1 4.41Å; G140-L148 PolarHBondContact N-O 2.78Å; R141-L148 HydrophobicContact CB-CD1 4.47Å; R141-L148 WeakPolarHBondContact O-CB 3.02Å; R141-L148 WeakPolarHBondContact O-CG 3.1Å; R141-L148 PolarHBondContact O-N 3.11Å; Y143-L148 HydrophobicContact CG-CD2 4.38Å
149Q91.3Very high87.6Confident120 Ų12066.1 Ų66.156%0.56134%0.336SS*.EExtended strand (participates in β ladder)trans-99.8101.2172.1-69.6-177.7-17.900108.7V53 R54V53-Q149 WeakPolarHBondContact CA-O 3.48Å; R54-Q149 HydrophobicContact CB-CB 4.29Å; R54-Q149 PolarHBondContact N-O 3.35Å
150C92.1Very high87Confident6 Ų666.6 Ų66.64%0.04134%0.338CS..EExtended strand (participates in β ladder)trans-93.7139.7177.2-61.40000110.5L51 L52 F135 N139L51-C150 HydrophobicContact CD1-CB 4.23Å; L52-C150 CarbonylContact O-C 3.53Å; L52-C150 WeakPolarHBondContact O-CA 3.16Å; F135-C150 HydrophobicContact CD2-CB 3.89Å; F135-C150 HydrophobicContact CE2-CB 4.21Å; F135-C150 VanDerWaalsContact CE2-O 3.23Å; F135-C150 WeakPolarHBondContact CE2-O 3.28Å; N139-C150 HydrophobicContact CB-CB 3.92Å; N139-C150 PolarHBondContact OD1-N 2.67Å
151E91.6Very high86.8Confident46 Ų4664.9 Ų64.922%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-137.1138.9175-75.2177.2-162.600109.3L52 R54L52-E151 PolarHBondContact N-O 3.17Å; L52-E151 PolarHBondContact O-N 3.22Å; R54-E151 WeakPolarHBondContact CD-OE1 3.49Å; R54-E151 WeakPolarHBondContact CD-OE2 3.12Å; R54-E151 IonicContact CZ-OE1 2.6Å; R54-E151 IonicContact CZ-OE2 3.18Å; R54-E151 IonicContact NE-OE1 3.84Å; R54-E151 IonicContact NE-OE2 3.25Å; R54-E151 IonicContact NH1-OE1 4Å; R54-E151 PolarHBondContact NH1-OE1 3.03Å; R54-E151 IonicContact NH1-OE2 3.76Å; R54-E151 PolarHBondContact NH1-OE2 3.09Å
152I91.9Very high86.5Confident28 Ų2861.2 Ų61.214%0.14431%0.308CS..EExtended strand (participates in β ladder)trans-77.3128173.4-56.5-179.7000108P45 F135P45-I152 HydrophobicContact CG-CG2 4.25Å; F135-I152 HydrophobicContact CD2-CD1 4.48Å; F135-I152 HydrophobicContact CD2-CG1 3.78Å; F135-I152 HydrophobicContact CE2-CG1 4.2Å; F135-I152 HydrophobicContact CG-CD1 4.49Å; F135-I152 HydrophobicContact CG-CG1 4.2Å
153C88.6Confident86.2Confident2 Ų254 Ų541%0.01428%0.283CS..EExtended strand (participates in β ladder)trans-112.9129.8-162.6-174.50000111.4S48 T50 L52 V155S48-C153 VanDerWaalsContact CB-O 3.28Å; S48-C153 WeakPolarHBondContact CB-O 3.24Å; S48-C153 PolarHBondContact OG-O 2.83Å; T50-C153 HydrophobicContact CG2-CB 4.1Å; T50-C153 VanDerWaalsContact O-CB 3.32Å; T50-C153 WeakPolarHBondContact O-CB 2.87Å; T50-C153 PolarHBondContact O-N 3.29Å; L52-C153 HydrophobicContact CB-CB 3.84Å; C153-V155 PolarHBondContact O-N 3.32Å; C153-V155 VanDerWaalsContact O-N 3.1Å; C153-V155 VanDerWaalsContact SG-CG2 3.53Å
154P84.7Confident85.4Confident23 Ų2354.2 Ų54.215%0.14930%0.301CS..  trans-73.72.8-17931.1-36.3000114.5F26 L27 P45 T156F26-P154 HydrophobicContact CD1-CG 4.45Å; F26-P154 HydrophobicContact CE1-CG 3.95Å; L27-P154 HydrophobicContact CD1-CB 4.31Å; P45-P154 HydrophobicContact CG-CB 4.03Å; P154-T156 PolarHBondContact O-N 3.4Å; P154-T156 VanDerWaalsContact O-N 3.13Å
155V83.4Confident84.8Confident2 Ų255 Ų551%0.01230%0.295CS..  trans-75105.1-174.7177.50000111K28 T29 T50 C153 W158 A161K28-V155 WeakPolarHBondContact O-CG2 3.4Å; T29-V155 VanDerWaalsContact C-CG2 3.43Å; T50-V155 WeakPolarHBondContact CB-O 3.27Å; T50-V155 PolarHBondContact OG1-O 3.47Å; C153-V155 PolarHBondContact O-N 3.32Å; C153-V155 VanDerWaalsContact O-N 3.1Å; C153-V155 VanDerWaalsContact SG-CG2 3.53Å; V155-W158 HydrophobicContact CG1-CD2 4.31Å; V155-W158 HydrophobicContact CG1-CE3 4.25Å; V155-W158 HydrophobicContact CG1-CH2 4.39Å; V155-W158 HydrophobicContact CG1-CZ2 4.42Å; V155-W158 HydrophobicContact CG1-CZ3 4.3Å; V155-A161 HydrophobicContact CG1-CB 4.23Å
156T79.2Confident84.1Confident83 Ų8354.7 Ų54.751%0.50927%0.274SS..  trans-110-10.1172.653.30000113.3P154P154-T156 PolarHBondContact O-N 3.4Å; P154-T156 VanDerWaalsContact O-N 3.13Å
157R81.7Confident83Confident183 Ų18355.5 Ų55.569%0.69128%0.284SS*.  trans-130.784.4-171.4-65.4-173.9-175.7176.42.4113.1K159 N160R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 PolarHBondContact O-N 2.67Å; R157-N160 PolarHBondContact O-N 2.67Å; R157-N160 VanDerWaalsContact O-N 3.15Å
158W83.3Confident81.8Confident15 Ų1556.5 Ų56.56%0.05728%0.283CS..G310 helixtrans-58.5-32.9-173.2-56.790.8000115.4T50 Q106 K108 Y122 Q124 V155 N160 A161 I162T50-W158 HydrophobicContact CG2-CH2 3.86Å; T50-W158 HydrophobicContact CG2-CZ2 3.88Å; Q106-W158 VanDerWaalsContact NE2-NE1 3.11Å; K108-W158 HydrophobicContact CB-CZ3 4.27Å; K108-W158 HydrophobicContact CG-CE3 4.2Å; K108-W158 HydrophobicContact CG-CZ3 3.97Å; Y122-W158 HydrophobicContact CD1-CH2 4.5Å; Y122-W158 HydrophobicContact CG-CH2 4.37Å; Y122-W158 HydrophobicContact CG-CZ3 4.29Å; Q124-W158 HydrophobicContact CB-CZ2 4.11Å; V155-W158 HydrophobicContact CG1-CD2 4.31Å; V155-W158 HydrophobicContact CG1-CE3 4.25Å; V155-W158 HydrophobicContact CG1-CH2 4.39Å; V155-W158 HydrophobicContact CG1-CZ2 4.42Å; V155-W158 HydrophobicContact CG1-CZ3 4.3Å; W158-N160 PolarHBondContact O-N 3.37Å; W158-N160 VanDerWaalsContact O-N 3.11Å; W158-A161 WeakPolarHBondContact O-CB 3.41Å; W158-A161 PolarHBondContact O-N 3.09Å; W158-I162 HydrophobicContact CB-CD1 4.12Å; W158-I162 HydrophobicContact CE3-CD1 4.49Å; W158-I162 PolarHBondContact O-N 2.73Å
159K78.8Confident80.5Confident99 Ų9962.3 Ų62.343%0.4331%0.31SS..G310 helixtrans-54.2-32.2176.1-45.6-170.7-164.2-138.80113.8R157 D196 L197R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 PolarHBondContact O-N 2.67Å; K159-D196 VanDerWaalsContact CD-O 3.27Å; K159-D196 WeakPolarHBondContact CD-O 3.37Å; K159-D196 WeakPolarHBondContact CE-O 3.39Å; K159-D196 VanDerWaalsContact CE-OD1 3.24Å; K159-D196 WeakPolarHBondContact CE-OD1 3.12Å; K159-D196 WeakPolarHBondContact CE-OD2 3.4Å; K159-D196 PolarHBondContact NZ-O 3.1Å; K159-D196 IonicContact NZ-OD1 2.68Å; K159-D196 PolarHBondContact NZ-OD1 3.11Å; K159-D196 IonicContact NZ-OD2 2.7Å; K159-D196 PolarHBondContact NZ-OD2 2.96Å; K159-L197 HydrophobicContact CB-CD2 4.4Å; K159-L197 HydrophobicContact CG-CD2 4.26Å
160N80.5Confident79.3Confident89 Ų8964.7 Ų64.748%0.47632%0.318SS..G310 helixtrans-94.6-11.1-176.9-64.70.1000112.4R157 W158R157-N160 PolarHBondContact O-N 2.67Å; R157-N160 VanDerWaalsContact O-N 3.15Å; W158-N160 PolarHBondContact O-N 3.37Å; W158-N160 VanDerWaalsContact O-N 3.11Å
161A85Confident78.4Confident0 Ų065.3 Ų65.30%032%0.322CS..THydrogen-bonded Turntrans-92.7-43.817900000111.5K28 T29 V155 W158 L180K28-A161 WeakPolarHBondContact O-CA 3.34Å; K28-A161 WeakPolarHBondContact O-CB 3.44Å; T29-A161 HydrophobicContact CG2-CB 4.43Å; V155-A161 HydrophobicContact CG1-CB 4.23Å; W158-A161 WeakPolarHBondContact O-CB 3.41Å; W158-A161 PolarHBondContact O-N 3.09Å; A161-L180 HydrophobicContact CB-CD1 3.91Å; A161-L180 HydrophobicContact CB-CG 4.25Å; A161-L180 PolarHBondContact O-N 3.09Å
162I85.9Confident77.4Confident23 Ų2368.4 Ų68.412%0.11835%0.346CS..BIsolated β-bridgetrans-83.4139.2-171.5-64.1169.8000111.3W158 G164 L180 V182 L197W158-I162 HydrophobicContact CB-CD1 4.12Å; W158-I162 HydrophobicContact CE3-CD1 4.49Å; W158-I162 PolarHBondContact O-N 2.73Å; I162-G164 PolarHBondContact O-N 2.76Å; I162-G164 VanDerWaalsContact O-N 3.13Å; I162-L180 WeakPolarHBondContact CA-O 3.27Å; I162-L180 HydrophobicContact CG1-CB 4.29Å; I162-V182 HydrophobicContact CD1-CG1 4.43Å; I162-V182 HydrophobicContact CD1-CG2 4.24Å; I162-V182 HydrophobicContact CG1-CG1 4.19Å; I162-V182 HydrophobicContact CG1-CG2 4.45Å; I162-V182 HydrophobicContact CG2-CG2 4.05Å; I162-L197 HydrophobicContact CD1-CD1 3.81Å; I162-L197 HydrophobicContact CD1-CD2 4.16Å
163C84Confident76.6Confident14 Ų1473 Ų7310%0.09537%0.365CS..  trans-7895.3175.4-167.40000111.2L165 F166 C171 F179 L180C163-L165 PolarHBondContact O-N 2.95Å; C163-F166 HydrophobicContact CB-CB 3.98Å; C163-F166 WeakPolarHBondContact O-CB 3.46Å; C163-F166 PolarHBondContact O-N 3.27Å; C163-C171 VanDerWaalsContact SG-SG 3.62Å; C163-F179 HydrophobicContact CB-CB 3.87Å; C163-L180 PolarHBondContact N-O 3.26Å
164G73.1Confident76Confident58 Ų5874.9 Ų74.960%0.59839%0.385SS*.THydrogen-bonded Turntrans-60.8-4.8176.800000116.2I162I162-G164 PolarHBondContact O-N 2.76Å; I162-G164 VanDerWaalsContact O-N 3.13Å
165L72.6Confident75.5Confident92 Ų9279 Ų7948%0.48240%0.401SS..THydrogen-bonded Turntrans-96-17.6171.3-61.9177.7000113.2C163 R168 K170 C171 P172C163-L165 PolarHBondContact O-N 2.95Å; L165-R168 PolarHBondContact O-N 3.14Å; L165-K170 CarbonylContact O-C 3.35Å; L165-K170 PolarHBondContact O-N 3.01Å; L165-K170 VanDerWaalsContact O-N 3.16Å; L165-C171 PolarHBondContact O-N 3.35Å; L165-P172 HydrophobicContact CD1-CG 4.15Å
166F68.8Low75.4Confident60 Ų6083.6 Ų83.626%0.26343%0.425SS..THydrogen-bonded Turntrans-70.3-38.4175.3179.3-104.8000111.7C111 C163 R168 Q169 C171 H181C111-F166 WeakPolarHBondContact SG-CZ 3.38Å; C163-F166 HydrophobicContact CB-CB 3.98Å; C163-F166 WeakPolarHBondContact O-CB 3.46Å; C163-F166 PolarHBondContact O-N 3.27Å; F166-R168 PolarHBondContact O-N 3.09Å; F166-Q169 WeakPolarHBondContact O-CA 3.5Å; F166-Q169 PolarHBondContact O-N 2.96Å; F166-C171 HydrophobicContact CB-CB 4.45Å; F166-H181 HydrophobicContact CD1-CB 3.79Å; F166-H181 HydrophobicContact CD2-CB 3.91Å; F166-H181 AromaticContact CD2-CD2 3.97Å; F166-H181 AromaticContact CD2-CE1 3.67Å; F166-H181 AromaticContact CD2-CG 3.48Å; F166-H181 VanDerWaalsContact CD2-CG 3.48Å; F166-H181 AromaticContact CD2-ND1 3.28Å; F166-H181 VanDerWaalsContact CD2-ND1 3.28Å; F166-H181 WeakPolarHBondContact CD2-ND1 3.36Å; F166-H181 HydrophobicContact CE1-CB 3.94Å; F166-H181 HydrophobicContact CE2-CB 4.06Å; F166-H181 AromaticContact CE2-CG 3.97Å; F166-H181 AromaticContact CE2-ND1 3.62Å; F166-H181 HydrophobicContact CG-CB 3.78Å; F166-H181 AromaticContact CG-CD2 3.83Å; F166-H181 AromaticContact CG-CG 3.57Å; F166-H181 AromaticContact CG-ND1 3.89Å; F166-H181 HydrophobicContact CZ-CB 4.09Å
167D63.9Low75.7Confident94 Ų9479.7 Ų79.750%0.50340%0.401SS..THydrogen-bonded Turntrans-61.1-16.4176.4-172.964.9000113.8R184D167-R184 VanDerWaalsContact CG-NH2 3.29Å; D167-R184 PolarHBondContact O-NH2 2.97Å; D167-R184 IonicContact OD1-CZ 2.91Å; D167-R184 VanDerWaalsContact OD1-CZ 3.23Å; D167-R184 IonicContact OD1-NE 3.49Å; D167-R184 PolarHBondContact OD1-NE 3.05Å; D167-R184 IonicContact OD1-NH2 3.65Å; D167-R184 PolarHBondContact OD1-NH2 2.84Å; D167-R184 IonicContact OD2-NH2 2.71Å; D167-R184 PolarHBondContact OD2-NH2 3.14Å
168R64.8Low75.9Confident137 Ų13772.9 Ų72.952%0.51738%0.379SS..THydrogen-bonded Turntrans-100.514.5172.5-57.2-173-177.9-163.10.4113.2L165 F166 K170 D202L165-R168 PolarHBondContact O-N 3.14Å; F166-R168 PolarHBondContact O-N 3.09Å; R168-K170 WeakPolarHBondContact O-CG 3.32Å; R168-K170 PolarHBondContact O-N 3.33Å; R168-D202 IonicContact NH1-OD2 3.84Å
169Q65.9Low76.1Confident135 Ų13574.8 Ų74.863%0.63139%0.387SS*.THydrogen-bonded Turntrans48.226.6-171.6-78.3-178.5-31.200114.3E80 F166E80-Q169 PolarHBondContact OE1-NE2 2.67Å; E80-Q169 PolarHBondContact OE2-NE2 3.1Å; E80-Q169 VanDerWaalsContact OE2-NE2 3.11Å; F166-Q169 WeakPolarHBondContact O-CA 3.5Å; F166-Q169 PolarHBondContact O-N 2.96Å
170K64.4Low76.5Confident170 Ų17070 Ų7074%0.73937%0.367SS*.  trans-135.345.8-171.6-72.3176-174.9177.20112.2L165 R168 P172L165-K170 CarbonylContact O-C 3.35Å; L165-K170 PolarHBondContact O-N 3.01Å; L165-K170 VanDerWaalsContact O-N 3.16Å; R168-K170 WeakPolarHBondContact O-CG 3.32Å; R168-K170 PolarHBondContact O-N 3.33Å; K170-P172 VanDerWaalsContact O-CD 3.27Å; K170-P172 WeakPolarHBondContact O-CD 3.33Å
171C75.3Confident76.8Confident19 Ų1966.4 Ų66.413%0.12835%0.347CS..  trans-71.6113.6171-179.70000110.1C163 L165 F166 K173 G174 C177 H181C163-C171 VanDerWaalsContact SG-SG 3.62Å; L165-C171 PolarHBondContact O-N 3.35Å; F166-C171 HydrophobicContact CB-CB 4.45Å; C171-K173 PolarHBondContact O-N 2.93Å; C171-G174 PolarHBondContact O-N 2.81Å; C171-G174 VanDerWaalsContact O-N 3.1Å; C171-C177 VanDerWaalsContact SG-SG 3.67Å; C171-H181 PolarHBondContact SG-NE2 2.89Å
172P70.6Confident76.8Confident111 Ų11167.4 Ų67.472%0.72135%0.353SS*.THydrogen-bonded Turntrans-71.50-176.831.7-37.3000113.6L165 K170L165-P172 HydrophobicContact CD1-CG 4.15Å; K170-P172 VanDerWaalsContact O-CD 3.27Å; K170-P172 WeakPolarHBondContact O-CD 3.33Å
173K73.4Confident76.6Confident124 Ų12467.3 Ų67.354%0.53935%0.352SS..THydrogen-bonded Turntrans-98.9-8174.6-62.2-174.7178.8-64.70113.3C171 K175 N176 C177C171-K173 PolarHBondContact O-N 2.93Å; K173-K175 PolarHBondContact O-N 3.35Å; K173-N176 PolarHBondContact O-N 3.03Å; K173-C177 HydrophobicContact CB-CB 3.95Å
174G76.3Confident76.2Confident42 Ų4274.5 Ų74.543%0.43338%0.377SS..G310 helixtrans48.4-127175.500000113.6C171 N176C171-G174 PolarHBondContact O-N 2.81Å; C171-G174 VanDerWaalsContact O-N 3.1Å; G174-N176 VanDerWaalsContact C-N 3.26Å; G174-N176 PolarHBondContact O-N 3.27Å
175K74.4Confident76.2Confident110 Ų11072.2 Ų72.248%0.47835%0.351SS..G310 helixtrans-62-25.3179.2-72.3-174166-164.80113.6E64 H113 E114 K173E64-K175 IonicContact OE1-NZ 2.65Å; E64-K175 IonicContact OE2-NZ 3.88Å; E64-K175 PolarHBondContact OE2-NZ 3.04Å; H113-K175 HydrophobicContact CB-CB 3.92Å; H113-K175 HydrophobicContact CB-CG 3.98Å; H113-K175 VanDerWaalsContact CD2-CD 3.48Å; H113-K175 WeakPolarHBondContact CD2-CD 3.49Å; H113-K175 PolarHBondContact CE1-NZ 2.71Å; H113-K175 WeakPolarHBondContact NE2-CE 3.27Å; H113-K175 PolarHBondContact NE2-NZ 2.91Å; E114-K175 PolarHBondContact N-O 2.95Å; K173-K175 PolarHBondContact O-N 3.35Å
176N81.4Confident75.9Confident97 Ų9769.4 Ų69.452%0.51934%0.338SS..G310 helixtrans-104.436.9-174.3-53.9106.4000113.9E114 K173 G174E114-N176 PolarHBondContact OE2-ND2 2.89Å; K173-N176 PolarHBondContact O-N 3.03Å; G174-N176 VanDerWaalsContact C-N 3.26Å; G174-N176 PolarHBondContact O-N 3.27Å
177C85.7Confident75.2Confident2 Ų270.4 Ų70.41%0.01437%0.365CS..  trans-81.7126.9175.4-163.60000112.1N112 C171 K173 F179 H181N112-C177 PolarHBondContact ND2-O 3.07Å; N112-C177 VanDerWaalsContact ND2-O 3.13Å; C171-C177 VanDerWaalsContact SG-SG 3.67Å; K173-C177 HydrophobicContact CB-CB 3.95Å; C177-F179 VanDerWaalsContact C-N 3.32Å; C177-H181 WeakPolarHBondContact CB-NE2 3.25Å; C177-H181 PolarHBondContact SG-NE2 3.48Å
178N86.8Confident75Confident40 Ų4070.8 Ų70.821%0.21437%0.367CS..SBendtrans-88.48.3175.6-60.6-17.5000113.6F25F25-N178 HydrophobicContact CD1-CB 3.77Å; F25-N178 HydrophobicContact CE1-CB 3.72Å
179F86.6Confident74.6Confident54 Ų5469 Ų6924%0.23737%0.365CS..SBendtrans-112152.1174.2-68-80.5000109.3K28 N112 C163 C177 H181K28-F179 HydrophobicContact CD-CE1 4.46Å; N112-F179 PolarHBondContact ND2-O 2.84Å; C163-F179 HydrophobicContact CB-CB 3.87Å; C177-F179 VanDerWaalsContact C-N 3.32Å; F179-H181 PolarHBondContact O-N 2.83Å
180L87.9Confident74.4Confident0 Ų063.5 Ų63.50%034%0.339CS..BIsolated β-bridgetrans-64.4118.7-175-50.5-175000110.4T29 L117 Y122 A161 I162 C163 V182T29-L180 HydrophobicContact CG2-CD2 4.22Å; T29-L180 HydrophobicContact CG2-CG 4.26Å; L117-L180 HydrophobicContact CD1-CD2 4.29Å; L117-L180 HydrophobicContact CD2-CD2 3.64Å; L117-L180 HydrophobicContact CG-CD2 4.48Å; Y122-L180 HydrophobicContact CD2-CD1 4.35Å; Y122-L180 HydrophobicContact CE1-CD1 4.47Å; Y122-L180 HydrophobicContact CE2-CD1 4.01Å; Y122-L180 HydrophobicContact CE2-CD2 3.96Å; Y122-L180 WeakPolarHBondContact OH-CD2 3.35Å; A161-L180 HydrophobicContact CB-CD1 3.91Å; A161-L180 HydrophobicContact CB-CG 4.25Å; A161-L180 PolarHBondContact O-N 3.09Å; I162-L180 WeakPolarHBondContact CA-O 3.27Å; I162-L180 HydrophobicContact CG1-CB 4.29Å; C163-L180 PolarHBondContact N-O 3.26Å; L180-V182 HydrophobicContact CB-CG1 3.95Å
181H86.3Confident74Confident13 Ų1361.8 Ų61.86%0.0633%0.328CS..  trans-90.5105.4161.8-68.9-170.3000105.4C110 C111 N112 F166 C171 C177 F179C110-H181 CarbonylContact C-O 3.5Å; C110-H181 VanDerWaalsContact CA-O 3.24Å; C110-H181 WeakPolarHBondContact CA-O 3.5Å; C111-H181 PolarHBondContact N-O 3.24Å; C111-H181 PolarHBondContact SG-O 2.74Å; N112-H181 PolarHBondContact OD1-N 2.86Å; F166-H181 HydrophobicContact CD1-CB 3.79Å; F166-H181 HydrophobicContact CD2-CB 3.91Å; F166-H181 AromaticContact CD2-CD2 3.97Å; F166-H181 AromaticContact CD2-CE1 3.67Å; F166-H181 AromaticContact CD2-CG 3.48Å; F166-H181 VanDerWaalsContact CD2-CG 3.48Å; F166-H181 AromaticContact CD2-ND1 3.28Å; F166-H181 VanDerWaalsContact CD2-ND1 3.28Å; F166-H181 WeakPolarHBondContact CD2-ND1 3.36Å; F166-H181 HydrophobicContact CE1-CB 3.94Å; F166-H181 HydrophobicContact CE2-CB 4.06Å; F166-H181 AromaticContact CE2-CG 3.97Å; F166-H181 AromaticContact CE2-ND1 3.62Å; F166-H181 HydrophobicContact CG-CB 3.78Å; F166-H181 AromaticContact CG-CD2 3.83Å; F166-H181 AromaticContact CG-CG 3.57Å; F166-H181 AromaticContact CG-ND1 3.89Å; F166-H181 HydrophobicContact CZ-CB 4.09Å; C171-H181 PolarHBondContact SG-NE2 2.89Å; C177-H181 WeakPolarHBondContact CB-NE2 3.25Å; C177-H181 PolarHBondContact SG-NE2 3.48Å; F179-H181 PolarHBondContact O-N 2.83Å
182V85.7Confident72.9Confident20 Ų2067.5 Ų67.512%0.12135%0.353CS..BIsolated β-bridgetrans-101.6142.8-176.5-63.20000110.6K108 V109 I162 L180K108-V182 HydrophobicContact CB-CG1 4.15Å; V109-V182 WeakPolarHBondContact O-CA 3.49Å; I162-V182 HydrophobicContact CD1-CG1 4.43Å; I162-V182 HydrophobicContact CD1-CG2 4.24Å; I162-V182 HydrophobicContact CG1-CG1 4.19Å; I162-V182 HydrophobicContact CG1-CG2 4.45Å; I162-V182 HydrophobicContact CG2-CG2 4.05Å; L180-V182 HydrophobicContact CB-CG1 3.95Å
183F80.5Confident72.1Confident21 Ų2163.4 Ų63.49%0.09233%0.328CS..PPolyproline II helixtrans-64.5150.9164-69.5-75.9000110.3F57 M62 L83 F87 V109 C111F57-F183 AromaticContact CD1-CE2 3.89Å; F57-F183 HydrophobicContact CD1-CE2 3.89Å; F57-F183 AromaticContact CE1-CE2 3.45Å; F57-F183 HydrophobicContact CE1-CE2 3.45Å; F57-F183 VanDerWaalsContact CE1-CE2 3.45Å; F57-F183 AromaticContact CE1-CZ 3.7Å; F57-F183 HydrophobicContact CE1-CZ 3.7Å; F57-F183 HydrophobicContact CZ-CE2 4.15Å; F57-F183 HydrophobicContact CZ-CZ 4.24Å; M62-F183 HydrophobicContact CE-CE2 4.24Å; M62-F183 HydrophobicContact CE-CZ 3.96Å; L83-F183 HydrophobicContact CD2-CE1 4Å; L83-F183 HydrophobicContact CD2-CZ 4.07Å; L83-F183 HydrophobicContact CG-CE1 4.26Å; L83-F183 HydrophobicContact CG-CZ 4.16Å; F87-F183 HydrophobicContact CB-CD1 4.49Å; F87-F183 HydrophobicContact CB-CE1 4.41Å; F87-F183 HydrophobicContact CB-CE2 4.47Å; F87-F183 HydrophobicContact CB-CZ 4.39Å; F87-F183 HydrophobicContact CD1-CB 4.05Å; F87-F183 HydrophobicContact CD1-CD1 4.31Å; F87-F183 HydrophobicContact CD1-CG 4.15Å; F87-F183 HydrophobicContact CD2-CB 4.03Å; F87-F183 AromaticContact CD2-CD2 3.66Å; F87-F183 HydrophobicContact CD2-CD2 3.66Å; F87-F183 HydrophobicContact CD2-CE2 4.2Å; F87-F183 AromaticContact CD2-CG 3.87Å; F87-F183 HydrophobicContact CD2-CG 3.87Å; F87-F183 HydrophobicContact CE1-CB 3.73Å; F87-F183 HydrophobicContact CE1-CG 4.33Å; F87-F183 HydrophobicContact CE2-CB 3.73Å; F87-F183 HydrophobicContact CE2-CD2 4.03Å; F87-F183 HydrophobicContact CE2-CG 4.08Å; F87-F183 HydrophobicContact CG-CB 4.18Å; F87-F183 HydrophobicContact CG-CD1 4.18Å; F87-F183 HydrophobicContact CG-CD2 4.05Å; F87-F183 HydrophobicContact CG-CE2 4.43Å; F87-F183 AromaticContact CG-CG 3.9Å; F87-F183 HydrophobicContact CG-CG 3.9Å; F87-F183 HydrophobicContact CZ-CB 3.56Å; F87-F183 HydrophobicContact CZ-CG 4.3Å; V109-F183 HydrophobicContact CB-CD2 4.07Å; V109-F183 HydrophobicContact CG1-CD2 3.94Å; V109-F183 HydrophobicContact CG1-CE2 4.21Å; V109-F183 PolarHBondContact O-N 2.82Å; C111-F183 HydrophobicContact CB-CD2 4.13Å; C111-F183 HydrophobicContact CB-CE1 4.06Å; C111-F183 HydrophobicContact CB-CE2 3.6Å; C111-F183 HydrophobicContact CB-CZ 3.57Å
184R75.3Confident71.5Confident166 Ų16659.4 Ų59.463%0.62631%0.313SS*.PPolyproline II helixtrans-81.2120.3167.9-67.2-178.9-179.6152.9-2108.1F87 D167F87-R184 WeakPolarHBondContact CE1-O 3.27Å; D167-R184 VanDerWaalsContact CG-NH2 3.29Å; D167-R184 PolarHBondContact O-NH2 2.97Å; D167-R184 IonicContact OD1-CZ 2.91Å; D167-R184 VanDerWaalsContact OD1-CZ 3.23Å; D167-R184 IonicContact OD1-NE 3.49Å; D167-R184 PolarHBondContact OD1-NE 3.05Å; D167-R184 IonicContact OD1-NH2 3.65Å; D167-R184 PolarHBondContact OD1-NH2 2.84Å; D167-R184 IonicContact OD2-NH2 2.71Å; D167-R184 PolarHBondContact OD2-NH2 3.14Å
185N72.9Confident70.4Confident9 Ų964.3 Ų64.35%0.04832%0.318CS..PPolyproline II helixtrans-65.2141.3-179.1-61.918.8000110.7Y91 F107 N188 F190Y91-N185 HydrophobicContact CE2-CB 3.82Å; F107-N185 PolarHBondContact O-ND2 2.89Å; F107-N185 PolarHBondContact O-OD1 2.89Å; N185-N188 PolarHBondContact O-N 2.75Å; N185-F190 VanDerWaalsContact ND2-CD2 3.32Å; N185-F190 WeakPolarHBondContact ND2-CD2 3.46Å
186P67.1Low69.4Low33 Ų3363.6 Ų63.621%0.21432%0.319CS..G310 helixtrans-59.3149.1175.426.3-34.8000111.5L88 Y91 N188L88-P186 HydrophobicContact CD2-CB 3.6Å; L88-P186 HydrophobicContact CD2-CG 3.7Å; Y91-P186 HydrophobicContact CD1-CG 3.39Å; Y91-P186 HydrophobicContact CD2-CG 4.28Å; Y91-P186 HydrophobicContact CE1-CG 3.51Å; Y91-P186 HydrophobicContact CE2-CG 4.39Å; Y91-P186 HydrophobicContact CG-CG 3.81Å; P186-N188 PolarHBondContact O-N 3.24Å
187G54.4Low67.9Low81 Ų8161.8 Ų61.884%0.83531%0.309SS*.G310 helixtrans66.1-2179.100000115.9E189G187-E189 PolarHBondContact O-N 2.96Å
188N58.9Low66.1Low102 Ų10269.2 Ų69.255%0.54534%0.344SS..G310 helixtrans53.634.1-172.8-82-6.5000113.1N185 P186 F190 W191N185-N188 PolarHBondContact O-N 2.75Å; P186-N188 PolarHBondContact O-N 3.24Å; N188-F190 PolarHBondContact O-N 3.15Å; N188-W191 HydrophobicContact CB-CB 4.22Å; N188-W191 VanDerWaalsContact O-CB 3.31Å; N188-W191 WeakPolarHBondContact O-CB 3.48Å; N188-W191 PolarHBondContact O-N 2.86Å
189E56.4Low63.8Low100 Ų10075.1 Ų75.147%0.46737%0.373SS..THydrogen-bonded Turntrans-51.9-30.5-174.3-71.4-165.7123.500114.2Y91 L95 K99 G187Y91-E189 PolarHBondContact OH-OE2 3.28Å; L95-E189 WeakPolarHBondContact CD2-OE2 3.28Å; K99-E189 IonicContact NZ-OE1 2.96Å; K99-E189 PolarHBondContact NZ-OE1 2.7Å; K99-E189 IonicContact NZ-OE2 2.72Å; K99-E189 PolarHBondContact NZ-OE2 2.97Å; G187-E189 PolarHBondContact O-N 2.96Å
190F62.1Low61.6Low20 Ų2075.5 Ų75.59%0.08838%0.382CS..THydrogen-bonded Turntrans-103.622-179-56.6-77.3000113.7Y91 L95 V104 V105 F107 N185 N188 E192 A193 D194Y91-F190 WeakPolarHBondContact OH-CE2 3.33Å; L95-F190 HydrophobicContact CD1-CE2 4.08Å; L95-F190 HydrophobicContact CD1-CZ 4.07Å; V104-F190 HydrophobicContact CG1-CE1 4.01Å; V104-F190 HydrophobicContact CG1-CZ 3.98Å; V105-F190 WeakPolarHBondContact O-CD1 3.22Å; F107-F190 HydrophobicContact CB-CD2 4.37Å; F107-F190 HydrophobicContact CB-CE2 3.7Å; F107-F190 HydrophobicContact CB-CZ 4.01Å; N185-F190 VanDerWaalsContact ND2-CD2 3.32Å; N185-F190 WeakPolarHBondContact ND2-CD2 3.46Å; N188-F190 PolarHBondContact O-N 3.15Å; F190-E192 PolarHBondContact O-N 3.22Å; F190-E192 VanDerWaalsContact O-N 3.09Å; F190-A193 WeakPolarHBondContact O-CB 3.36Å; F190-A193 PolarHBondContact O-N 3.28Å; F190-D194 PolarHBondContact O-N 3.29Å; F190-D194 VanDerWaalsContact O-N 3.1Å
191W56.2Low59.5Low133 Ų13381.1 Ų81.150%0.50442%0.418SS..Hα-helixtrans-53.2-35.5-174.672.8-74.2000113.7N188 A193 D194 R195N188-W191 HydrophobicContact CB-CB 4.22Å; N188-W191 VanDerWaalsContact O-CB 3.31Å; N188-W191 WeakPolarHBondContact O-CB 3.48Å; N188-W191 PolarHBondContact O-N 2.86Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.39Å; W191-D194 CarbonylContact O-C 3.58Å; W191-D194 PolarHBondContact O-N 2.91Å; W191-D194 VanDerWaalsContact O-N 3.11Å; W191-R195 HydrophobicContact CE3-CG 3.86Å; W191-R195 HydrophobicContact CZ3-CG 4.04Å; W191-R195 WeakPolarHBondContact O-CG 3.43Å; W191-R195 PolarHBondContact O-N 3.16Å
192E52.8Low57.4Low140 Ų14086.4 Ų86.465%0.65445%0.447SS*.Hα-helixtrans-61.4-36.8178.8-60-170.8175.100112.3F190F190-E192 PolarHBondContact O-N 3.22Å; F190-E192 VanDerWaalsContact O-N 3.09Å
193A54Low55.7Low25 Ų2596.4 Ų96.421%0.20748%0.483CS..Hα-helixtrans-76.6-33.2174.500000112.1Q106 F190 W191Q106-A193 HydrophobicContact CG-CB 3.68Å; F190-A193 WeakPolarHBondContact O-CB 3.36Å; F190-A193 PolarHBondContact O-N 3.28Å; W191-A193 VanDerWaalsContact C-N 3.27Å; W191-A193 PolarHBondContact O-N 3.39Å
194D60.7Low53.8Low39 Ų39100.5 Ų100.521%0.20951%0.513CS..Hα-helixtrans-77.9-18.8174.8-71.8-55.9000114.1K108 F190 W191 D196 L197K108-D194 IonicContact NZ-OD1 2.71Å; K108-D194 PolarHBondContact NZ-OD1 2.98Å; K108-D194 IonicContact NZ-OD2 3.23Å; K108-D194 PolarHBondContact NZ-OD2 3.06Å; F190-D194 PolarHBondContact O-N 3.29Å; F190-D194 VanDerWaalsContact O-N 3.1Å; W191-D194 CarbonylContact O-C 3.58Å; W191-D194 PolarHBondContact O-N 2.91Å; W191-D194 VanDerWaalsContact O-N 3.11Å; D194-D196 PolarHBondContact O-N 3.46Å; D194-L197 HydrophobicContact CB-CD1 4.4Å; D194-L197 WeakPolarHBondContact O-CA 3.31Å; D194-L197 VanDerWaalsContact O-CB 3.25Å; D194-L197 WeakPolarHBondContact O-CB 3.38Å; D194-L197 PolarHBondContact O-N 2.9Å; D194-L197 WeakPolarHBondContact OD1-CD1 3.17Å
195R53.1Low52.2Low145 Ų145100.6 Ų100.655%0.54753%0.525SS..Hα-helixtrans-52.6-32.5172.9-78.1-172.171.1177.6-2.8111.7W191 L197 Q198W191-R195 HydrophobicContact CE3-CG 3.86Å; W191-R195 HydrophobicContact CZ3-CG 4.04Å; W191-R195 WeakPolarHBondContact O-CG 3.43Å; W191-R195 PolarHBondContact O-N 3.16Å; R195-L197 PolarHBondContact O-N 3.11Å; R195-Q198 PolarHBondContact O-N 3.06Å
196D52.3Low50.5Low95 Ų95111.7 Ų111.751%0.50857%0.566SS.*Hα-helixtrans-65.8-21.5-179-136.221.9000111.9K159 D194K159-D196 VanDerWaalsContact CD-O 3.27Å; K159-D196 WeakPolarHBondContact CD-O 3.37Å; K159-D196 WeakPolarHBondContact CE-O 3.39Å; K159-D196 VanDerWaalsContact CE-OD1 3.24Å; K159-D196 WeakPolarHBondContact CE-OD1 3.12Å; K159-D196 WeakPolarHBondContact CE-OD2 3.4Å; K159-D196 PolarHBondContact NZ-O 3.1Å; K159-D196 IonicContact NZ-OD1 2.68Å; K159-D196 PolarHBondContact NZ-OD1 3.11Å; K159-D196 IonicContact NZ-OD2 2.7Å; K159-D196 PolarHBondContact NZ-OD2 2.96Å; D194-D196 PolarHBondContact O-N 3.46Å
197L50.1Low48.8Very low59 Ų59113.7 Ų113.731%0.30959%0.592SS.*Hα-helixtrans-83.8-27.1171.5-50.3174.4000113K159 I162 D194 R195 M199K159-L197 HydrophobicContact CB-CD2 4.4Å; K159-L197 HydrophobicContact CG-CD2 4.26Å; I162-L197 HydrophobicContact CD1-CD1 3.81Å; I162-L197 HydrophobicContact CD1-CD2 4.16Å; D194-L197 HydrophobicContact CB-CD1 4.4Å; D194-L197 WeakPolarHBondContact O-CA 3.31Å; D194-L197 VanDerWaalsContact O-CB 3.25Å; D194-L197 WeakPolarHBondContact O-CB 3.38Å; D194-L197 PolarHBondContact O-N 2.9Å; D194-L197 WeakPolarHBondContact OD1-CD1 3.17Å; R195-L197 PolarHBondContact O-N 3.11Å; L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 2.97Å
198Q47.5Very low48.2Very low159 Ų159115.6 Ų115.674%0.74359%0.593SS**Hα-helixtrans-75.2-17.3-168.9-157.617718.600113.8R195 S200R195-Q198 PolarHBondContact O-N 3.06Å; Q198-S200 PolarHBondContact O-N 3.49Å
199M38.3Very low47Very low164 Ų164122.7 Ų122.781%0.80861%0.612SS**  trans-77.165.2174.7-75.7-65.7-168.100112.6L197L197-M199 VanDerWaalsContact C-N 3.31Å; L197-M199 PolarHBondContact O-N 2.97Å
200S40.6Very low45.9Very low62 Ų62129.5 Ų129.543%0.43463%0.634SS.*  trans-89.2137.7161.5520000109.9Q198 D202Q198-S200 PolarHBondContact O-N 3.49Å; S200-D202 PolarHBondContact O-N 2.92Å
201P44.8Very low44.4Very low117 Ų117131.8 Ų131.876%0.7666%0.656SS**SBendtrans-71.28.6-161.7-22.135.4000117.6R203 S204P201-R203 PolarHBondContact O-N 2.87Å; P201-S204 PolarHBondContact O-OG 2.61Å
202D41.6Very low43.1Very low124 Ų124134 Ų13466%0.66367%0.672SS**THydrogen-bonded Turntrans-8337.7-165.2-155.812.4000113.5R168 S200R168-D202 IonicContact NH1-OD2 3.84Å; S200-D202 PolarHBondContact O-N 2.92Å
203R49.1Very low41.9Very low231 Ų231137 Ų13787%0.87268%0.677SS**THydrogen-bonded Turntrans-127.8-1.1177.2-79.8-72.4179.4137.2-1.1113.7P201 I205P201-R203 PolarHBondContact O-N 2.87Å; R203-I205 PolarHBondContact O-N 3.34Å
204S41.4Very low40.6Very low106 Ų106143.5 Ų143.574%0.74170%0.703SS**THydrogen-bonded Turntrans-81.8-5.6-170.9-54.10000115.7P201P201-S204 PolarHBondContact O-OG 2.61Å
205I41.7Very low39.1Very low169 Ų169146.7 Ų146.787%0.86773%0.728SS**THydrogen-bonded Turntrans-130.246.5-177.7-38.1-177.1000113.1R203R203-I205 PolarHBondContact O-N 3.34Å
206R37.5Very low38Very low242 Ų242149.1 Ų149.191%0.91375%0.746SS**SBendtrans-159.9131.3146.5-129.1-178.5-175.8-153.20.6113.3
207G32Very low36.8Very low74 Ų74155.4 Ų155.476%0.76376%0.763SS**  trans90.878.9164.200000115.4R209G207-R209 PolarHBondContact O-N 2.71Å
208S41.9Very low35.7Very low122 Ų122160 Ų16085%0.85378%0.782SS**  trans-65.4114.4154.4177.20000109.3
209R33Very low34.8Very low250 Ų250162.2 Ų162.294%0.94378%0.784SS**  trans-178.7101.9154-101.5168.2-139.1-139.52.9108.1G207G207-R209 PolarHBondContact O-N 2.71Å
210R32.6Very low34.3Very low244 Ų244162.4 Ų162.492%0.92178%0.783SS**  trans-109.6136.1175-167.4-173.7-165.6-161.44.8108.5
211A31.9Very low33.6Very low68 Ų68170.3 Ų170.356%0.56280%0.803SS**  trans61.1120.7165.900000118.6
212E27.4Very low33.5Very low178 Ų178169.4 Ų169.483%0.83280%0.797SS**  -174.382.4126.4-140.674.5-86.700105.1
213W27.8Very low32.7Very low204 Ų204174 Ų17477%0.77381%0.805SS**  60.3130.489.8-82.999.5000116.5
214H26.5Very low31.8Very low162 Ų162172.9 Ų172.975%0.7580%0.801SS**  trans77142.7162.8-84.5-68.3000123.6
215S30.2Very low31.3Very low105 Ų105175.3 Ų175.373%0.73480%0.8SS**  trans74.5101.915562.70000120.9R217S215-R217 PolarHBondContact O-N 3.42Å
216E29.4Very low30.7Very low197 Ų197177.4 Ų177.492%0.92180%0.797SS**  trans-66.5116.4148.7-59.2-179.3125.400110.2
217R28.6Very low30.2Very low226 Ų226176 Ų17685%0.85379%0.792SS**  trans-157.1107.3154.3-161.9159.3-73.7-158.6-2.8113.9S215S215-R217 PolarHBondContact O-N 3.42Å
218H26.9Very low29.9Very low155 Ų155178.6 Ų178.672%0.71880%0.797SS**  trans65.6126.1152-84.7-138.1000121.7
219R27.8Very low29.2Very low206 Ų206177.4 Ų177.478%0.77779%0.789SS**  trans63.3121.3135-64.4-172.6179.4-161.7-2.2121
220E26.9Very low28.9Very low168 Ų168177.6 Ų177.679%0.78579%0.79SS**  44.8127126.9-58.8-166.2-136.700122.6
221R26.5Very low28.9Very low229 Ų229171.6 Ų171.686%0.86479%0.785SS**  13.4154.9125.5-74.4174.9155-166.7-4.2119.4
222P42.3Very low29.3Very low97 Ų97174.4 Ų174.463%0.6380%0.798SS**  cis-147.8-176.1-33.242.8-24.9000114.8
223W26.2Very low29.2Very low220 Ų220169.9 Ų169.983%0.83379%0.791SS**  trans57.3120.4150.4-69.7122.4000122.8
224R28.9Very low29.2Very low208 Ų208171.9 Ų171.979%0.78580%0.798SS**  trans83.4145.2144.5-65.6-178.6-175.6-80.22.5121.7
225Q30.9Very low29.2Very low157 Ų157169.3 Ų169.373%0.73480%0.799SS**  trans72.1154.9164.9-70.1-173.776.500116.1
226R29.1Very low29.1Very low213 Ų213171 Ų17180%0.80480%0.795SS**  cis-143.3169.910-144.2169-166.6-135.97.7114.2
227R27.8Very low29Very low213 Ų213171.7 Ų171.780%0.80479%0.789SS**  trans-61.1149.1-177.1-52.7152179.1-104.81.9114.4
228C25.8Very low28.9Very low128 Ų128165.4 Ų165.487%0.86578%0.78SS**  -166.8151.8116.9-100.80000109.3
229S27.1Very low28.9Very low98 Ų98166 Ų16669%0.68578%0.783SS**  cis153.592.9-18.2-91.40000105.8
230R27.5Very low28.9Very low253 Ų253166.4 Ų166.496%0.95578%0.784SS**  trans-166.7110.6159.4-112.6167.3-175.4174.31111.5
231S32.1Very low28.9Very low118 Ų118167.4 Ų167.483%0.82578%0.781SS**  trans-131.8141.7163.5-51.30000106.5
232P38.8Very low28.9Very low127 Ų127166.8 Ų166.883%0.82578%0.779SS**  -148.5176.6101.834.6-16.7000113.6
233A27.2Very low28.3Very low84 Ų84168.3 Ų168.369%0.69478%0.777SS**  cis-172.5149.6-34.500000110
234R26.2Very low28.4Very low245 Ų245165.2 Ų165.293%0.92578%0.777SS**  trans64.6159.8170.2-66.1177.9172.1172.3-4115
235S27.9Very low28.5Very low108 Ų108160.1 Ų160.176%0.75577%0.766SS**  cis-134.5146.412.8490000116.2
236E27.5Very low28.4Very low141 Ų141162.4 Ų162.466%0.65977%0.768SS**  trans15.6125141-74.8-174.394.100124.6
237R26.4Very low28.4Very low211 Ų211160.8 Ų160.880%0.79677%0.769SS**  78.993.4109.1-158-178.9-153.3146.8-3.2120.7
238S26.8Very low28.3Very low95 Ų95162.5 Ų162.566%0.66478%0.775SS**  40.7119.8128.4-170.40000120.5
239H26.6Very low28.4Very low168 Ų168160.5 Ų160.578%0.77876%0.763SS**  -159.4179.9111.3-120.6-113.9000114.1
240R28.1Very low28.5Very low214 Ų214167.3 Ų167.381%0.80877%0.774SS**  trans-103.6162.8-156.4-46.7170.3-179.5170.4-2.4115.1
241R27.9Very low28.6Very low189 Ų189159.7 Ų159.771%0.71376%0.759SS**  trans83.2114.2137.1-164.5-167.6-176.1-177.13.2120E243R241-E243 IonicContact CZ-OE2 3.51Å; R241-E243 IonicContact NE-OE2 3.07Å; R241-E243 PolarHBondContact NE-OE2 3.23Å; R241-E243 IonicContact NH2-OE2 3.03Å; R241-E243 PolarHBondContact NH2-OE2 3.42Å
242W26.5Very low28.6Very low216 Ų216165 Ų16582%0.81876%0.761SS**  179.4131.1120.1-103.764.8000104.7
243E29Very low28.2Very low129 Ų129168.2 Ų168.260%0.60377%0.765SS**  75.896.657.7-73.5-179.6115.600114R241R241-E243 IonicContact CZ-OE2 3.51Å; R241-E243 IonicContact NE-OE2 3.07Å; R241-E243 PolarHBondContact NE-OE2 3.23Å; R241-E243 IonicContact NH2-OE2 3.03Å; R241-E243 PolarHBondContact NH2-OE2 3.42Å
244D28.8Very low28.2Very low155 Ų155175.1 Ų175.183%0.82977%0.773SS**  trans81.7158.5151.6-113.5-57.1000124.9
245D30.1Very low28.4Very low101 Ų101175.5 Ų175.554%0.5477%0.774SS.*  trans79.194.9156.2-96.9-35.9000125
246R29.9Very low28.4Very low205 Ų205176.8 Ų176.877%0.77478%0.778SS**  68.7144.7123.7-85.1177-169.4109.6-3124
247E28.9Very low28.3Very low178 Ų178175.8 Ų175.883%0.83279%0.787SS**  trans61.9130.6156.8-68.1-165.7-165.200122.1
248R25.4Very low28.5Very low250 Ų250173.9 Ų173.994%0.94379%0.786SS**  trans-143.3124.6157.9-166.8170.8-171.9157.13.9109.7
249S28.8Very low28.6Very low86 Ų86179 Ų17960%0.60180%0.8SS**  trans-148.1140.6-175.6-97.90000111.7
250R27.6Very low28.7Very low241 Ų241180.7 Ų180.791%0.90980%0.8SS**  trans63.6173.2167.6-57.3161.1-173161.22.9112.6
251S30.8Very low28.7Very low93 Ų93181.3 Ų181.365%0.6580%0.802SS**  cis-154.9-179.9-41.655.20000105.2
252R30.8Very low28.9Very low229 Ų229178.4 Ų178.486%0.86480%0.796SS**  cis17615631.4-138.6168.9-163.7168.93.6104.6
253E30.3Very low29.1Very low195 Ų195174.8 Ų174.891%0.91179%0.793SS**  -175.8175.3129.4-109-176-178.900113.5
254R28.4Very low29Very low229 Ų229179.3 Ų179.386%0.86481%0.805SS**  trans-130.4154.5-171.1-67.4171165.9166.7-8.3111
255R29.3Very low29Very low252 Ų252182.9 Ų182.995%0.95181%0.807SS**  trans-161.4162.1132-104.3157-158.4-144.94.3110.2
256T27.8Very low28.9Very low135 Ų135183.3 Ų183.383%0.82882%0.817SS**  trans-141.3151.2-167.245.70000111.2
257S26.8Very low28.9Very low121 Ų121177.9 Ų177.985%0.84681%0.811SS**  trans-143.1160159.7-166.10000110
258H29.7Very low28.9Very low170 Ų170180.6 Ų180.679%0.78781%0.813SS**  trans-103.6154.7-171.1-81.8-95.8000113.3
259Q29.3Very low29.1Very low202 Ų202173.2 Ų173.294%0.94480%0.8SS**  -159.3171.1123.2-106.1169.330.100111.3
260R28.3Very low29.1Very low205 Ų205179.3 Ų179.377%0.77481%0.81SS**  trans-114.9146.5-163.2-79.3-179.6165.8-124.37.6114.5E262R260-E262 IonicContact CZ-OE1 2.66Å; R260-E262 IonicContact NH1-OE1 3.93Å; R260-E262 PolarHBondContact NH1-OE1 2.66Å
261R28.7Very low29.2Very low227 Ų227175.9 Ų175.986%0.85780%0.804SS**  177.1126.1126.6-93.9168-177.7-141.4-0.4106.9
262E31.6Very low29Very low128 Ų128176.9 Ų176.960%0.59881%0.811SS**  63.6121.664.2-65.9165.2-147.500112.4R260R260-E262 IonicContact CZ-OE1 2.66Å; R260-E262 IonicContact NH1-OE1 3.93Å; R260-E262 PolarHBondContact NH1-OE1 2.66Å
263D30.6Very low29.1Very low139 Ų139172.4 Ų172.474%0.74380%0.804SS**  cis-166.6-178.9-11.6-142.9-36.6000112.2
264R28Very low29.1Very low225 Ų225174.3 Ų174.385%0.84980%0.803SS**  trans93.5123.4162.2-70.4-175.1168.7-175.6-3.1122.4
265W29Very low29.1Very low230 Ų230173.3 Ų173.387%0.87180%0.799SS**  trans-49.1170.7163.7-46.3-50000115.4
266S26.3Very low29.2Very low109 Ų109168.4 Ų168.476%0.76280%0.798SS**  cis-16814542.2179.50000109
267S31.1Very low29.4Very low92 Ų92167.9 Ų167.964%0.64379%0.79SS**  cis115.8141.321.7-66.10000112.5
268R28.1Very low29.5Very low234 Ų234172.5 Ų172.588%0.88379%0.789SS**  trans91.4129.9177.3-56168.9178.3168.4-0.4115.3
269S30Very low29.6Very low96 Ų96173.3 Ų173.367%0.67179%0.785SS**  cis86.3136.721.7920000114.4
270R29.1Very low29.5Very low214 Ų214174.2 Ų174.281%0.80878%0.779SS**  cis-169.415740.7-101.9169.5-178.6167.3-1.2113
271H28.5Very low29.6Very low169 Ų169169.9 Ų169.978%0.78278%0.781SS**  trans56.5170.4151.2-62.3-57000119.6
272S28Very low29.5Very low113 Ų113170.7 Ų170.779%0.7978%0.784SS**  cis-146.7-178.513.1670000115.9
273D33.4Very low29.4Very low136 Ų136169 Ų16973%0.72779%0.786SS**  trans-86.4160.7-168.6-44.3-114000118.2
274R28.7Very low29.3Very low234 Ų234173.2 Ų173.288%0.88379%0.791SS**  156.5114.4126.9-83.5158.6-170.4-164.62.7111.1
275R29.5Very low29.3Very low208 Ų208167.4 Ų167.479%0.78579%0.785SS**  74.6110.777-82.4-165.6179.4-855.1116.4D277R275-D277 IonicContact NH1-OD2 3.83Å
276T31.1Very low29.3Very low150 Ų150166 Ų16692%0.9279%0.785SS**  -159.4121.5126.414.50000112.6
277D32.4Very low29.5Very low123 Ų123165 Ų16566%0.65878%0.779SS**  trans-90.1163170-58.7-92.8000112.7R275R275-D277 IonicContact NH1-OD2 3.83Å
278R29Very low29.4Very low218 Ų218171.4 Ų171.482%0.82379%0.789SS**  trans147.7140148.2-81.1150.7-172.6-174.93.2109
279R31.3Very low29.5Very low188 Ų188166.5 Ų166.571%0.70978%0.78SS**  cis-163.7168.82.6-97162.9-161.3-98.95.6106.1
280R27.7Very low29.4Very low220 Ų220173.8 Ų173.883%0.8379%0.793SS**  cis-169.2148.1-20-176.9-179.8-161.7-178.57106.8
281S29.4Very low29.5Very low114 Ų114168.9 Ų168.980%0.79779%0.791SS**  trans-87.9158.6-170.648.80000116.4
282R26.4Very low29.5Very low244 Ų244172.8 Ų172.892%0.92180%0.799SS**  trans-167.9154.8163.7-100166.4-178.6162.4-2.7109.5
283S30Very low29.6Very low92 Ų92172.6 Ų172.664%0.64380%0.798SS**  -173.5153.1-56.4510000111.6
284R28.1Very low29.4Very low229 Ų229178.1 Ų178.186%0.86481%0.808SS**  trans83.190.7158.7-66.4171.1176.4159.3-2.1121.4
285S28.9Very low29.5Very low103 Ų103172.1 Ų172.172%0.7280%0.802SS**  49.9147.3107.468.10000124.1
286K29.2Very low29.6Very low199 Ų199174 Ų17487%0.86581%0.809SS**  trans89.4150.6164.6-71.4-173.2174.7-179.20117.6
287S28.8Very low29.6Very low90 Ų90173.8 Ų173.863%0.62980%0.803SS**  cis-180139.3-41.649.70000111.8
288R30Very low29.5Very low226 Ų226179.7 Ų179.785%0.85382%0.816SS**  trans66.3122.9155.3-69.1-172.5172.9150.7-1.5120.6
289D29.3Very low29.7Very low131 Ų131177.5 Ų177.570%0.70182%0.815SS**  39.6121.4125.6-40.4-57.9000120.4
290R28.3Very low29.6Very low249 Ų249177.3 Ų177.394%0.9482%0.822SS**  -173.8151.289.6-99.7174.2178.41570.2113.7
291S31.7Very low29.8Very low110 Ų110178 Ų17877%0.76982%0.824SS**  trans-87147.9169.949.60000111.9
292R28.1Very low29.8Very low252 Ų252182.4 Ų182.495%0.95182%0.824SS**  trans-166.7138.8144.5-111.6162.1-172.9166.12.1112
293S31.2Very low30.1Very low109 Ų109176.7 Ų176.776%0.76281%0.811SS**  trans-96155.5173.247.50000111.2
294R27.7Very low30.2Very low252 Ų252182.4 Ų182.495%0.95182%0.824SS**  trans-170.4146.9140.1-106.1158-173.5179.40.4112
295S32.1Very low30.4Very low108 Ų108180.9 Ų180.976%0.75583%0.827SS**  trans-80.7163.4-177.2-200000112.7
296R29.8Very low30.5Very low247 Ų247179.7 Ų179.793%0.93283%0.831SS**  trans-164.6140.4134.5-111.4166.1-172.7175.91.1112.7
297D33Very low30.7Very low146 Ų146177.8 Ų177.878%0.78183%0.825SS**  trans-81.7153.9177.8-38.9-104.1000111.6
298R30.3Very low30.8Very low247 Ų247180.9 Ų180.993%0.93283%0.834SS**  -175.1144.7120.1-104.8172.9178.8-178.4-2.3113.1
299E31.6Very low31Very low172 Ų172178 Ų17880%0.80483%0.828SS**  trans-77.6150.3162.9-51.9172.1106.200110.3
300Q29.7Very low31.2Very low184 Ų184182.1 Ų182.186%0.8684%0.836SS**  -175.1175.2100.6-97.2-168.91500112.6
301R32Very low31.4Very low233 Ų233182 Ų18288%0.87984%0.835SS**  trans-75.9175.3-171.3-48.3177.9178.2-143.4-2.3110.7
302R29.9Very low31.6Very low208 Ų208184.5 Ų184.579%0.78584%0.84SS**  cis-167.6167.633.5-144.4-173.2156.21655112.8
303D32.3Very low31.9Very low123 Ų123184 Ų18466%0.65884%0.838SS**  trans56.9116.1157.4-51.7-37.8000121.6
304K32.6Very low31.8Very low212 Ų212182.6 Ų182.692%0.92284%0.841SS**  -160.6154.5129.1-115.2175.5-175.9-178.90112.2
305E32Very low32Very low198 Ų198178.3 Ų178.393%0.92584%0.836SS**  trans-89.7161.8-170.2-61.1159.2126.300112.9
306G31.2Very low32.1Very low77 Ų77180.8 Ų180.879%0.79484%0.841SS**  trans-164.8124.6174.900000112.1
307E32.4Very low32.1Very low160 Ų160171.5 Ų171.575%0.74882%0.822SS**  trans-66.9144.3-171-54.7-179.5137.600114.3K309E307-K309 IonicContact OE1-NZ 3.9Å; E307-K309 IonicContact OE2-NZ 2.78Å; E307-K309 PolarHBondContact OE2-NZ 3.03Å
308N32.4Very low32Very low154 Ų154172.7 Ų172.782%0.82482%0.823SS**  trans-99.5123.9162.3-100.2-37.4000110.1
309K33.5Very low32.5Very low166 Ų166166.6 Ų166.672%0.72282%0.816SS**  trans-118104.4172-83.5174.5172.4125.80110.3E307E307-K309 IonicContact OE1-NZ 3.9Å; E307-K309 IonicContact OE2-NZ 2.78Å; E307-K309 PolarHBondContact OE2-NZ 3.03Å
310Y34Very low32.5Very low218 Ų218166 Ų16686%0.85581%0.813SS**  trans-69.7145165.5-80.4-92.7000110.2
311R31.7Very low32.4Very low245 Ų245168.6 Ų168.693%0.92582%0.815SS**  trans-121.7125.8165.8-81.4177.9166.2163.8-5.4107.4
312D35.4Very low32.4Very low164 Ų164164.8 Ų164.888%0.87781%0.807SS**  trans-117.7164.6162.2-143.4-44.9000109.3
313R35.1Very low32.5Very low241 Ų241161.3 Ų161.391%0.90981%0.809SS**  trans-105130.7-174.6-74.2176.7168.1168.7-5.7111.1
314G30.1Very low32.3Very low79 Ų79166.1 Ų166.181%0.81482%0.818SS**  trans-120.2133163.900000109.6
315D30.7Very low32.1Very low162 Ų162164.6 Ų164.687%0.86681%0.814SS**  trans-168.2135.3-170.1176.5106.8000106.9
316D33.7Very low32Very low160 Ų160166 Ų16686%0.85681%0.811SS**  cis-152.2-176.6-40.8-149.824.3000106.5
317G29.6Very low31.9Very low52 Ų52166.6 Ų166.654%0.53680%0.803SS.*  cis171.3126.3-0.800000109.3
318E32.4Very low31.7Very low172 Ų172170.6 Ų170.680%0.80481%0.811SS**  trans-159.1129.9-175.4-122-64.9133.400113Q320E318-Q320 PolarHBondContact OE2-N 3.07Å; E318-Q320 VanDerWaalsContact OE2-N 3.08Å
319P39.3Very low31.6Very low118 Ų118168.5 Ų168.577%0.76681%0.808SS**  trans-141.197.215435.7-17.9000114.7
320Q31.6Very low31.5Very low160 Ų160167.7 Ų167.775%0.74882%0.818SS**  trans42.3117.4135.1-173.1-173.53.300119.2E318E318-Q320 PolarHBondContact OE2-N 3.07Å; E318-Q320 VanDerWaalsContact OE2-N 3.08Å
321R29.2Very low31.3Very low238 Ų238161.3 Ų161.390%0.89881%0.805SS**  trans-151.3167.9138.5-115.7167.1-164.8-92.1-1113.3
322E31.3Very low31.3Very low153 Ų153160.1 Ų160.172%0.71580%0.801SS**  trans-96.6153.4-156.1-48.7168.711700114.4
323T31.7Very low31.1Very low135 Ų135158 Ų15883%0.82879%0.785SS**  -173.1151.511617.90000113.9
324R28.8Very low31Very low225 Ų225155.6 Ų155.685%0.84978%0.776SS**  trans13.3137.6141.2-92.4-177.6-171.1172.12.2118.7
325E29Very low31.1Very low180 Ų180159.9 Ų159.984%0.84177%0.772SS**  cis-146.7-161.338.5-78.8-146142.200115.8
326R28.4Very low31Very low228 Ų228161.9 Ų161.986%0.8677%0.768SS**  trans-134.9147.7-156.6-174.6-171.5174.7167.4-1.1112.2
327S29.7Very low30.9Very low89 Ų89161.6 Ų161.662%0.62276%0.761SS**  trans84.8117.7165.2-29.40000118.2
328R29.1Very low30.9Very low243 Ų243167.1 Ų167.192%0.91777%0.77SS**  -164.2164.292-96.6171.5-17490.8-5.4110.8
329S29.1Very low30.7Very low110 Ų110165.4 Ų165.477%0.76976%0.762SS**  trans-136.5143.8-171.250.80000112
330T31.3Very low30.2Very low149 Ų149164.6 Ų164.691%0.91476%0.76SS**  trans170.7148.2161.6340000107.7
331S30.1Very low30.1Very low85 Ų85166.6 Ų166.659%0.59476%0.76SS**  cis-166.3132.2-6.6156.30000111
332R32.4Very low30.2Very low220 Ų220162.2 Ų162.283%0.8375%0.75SS**  trans63.1129151.6-69.9171.5175.7156.4-0.3117.8
333E31.4Very low30Very low119 Ų119166.2 Ų166.256%0.55676%0.759SS**  61.6132.173.9-74.4-146.711300113.5
334R31.6Very low30Very low191 Ų191165 Ų16572%0.72176%0.756SS**  cis-145.8150.113.5-105.6157.5-164.3-172.113.2110.1
335K32.3Very low30.8Very low168 Ų168159.6 Ų159.673%0.7375%0.75SS**  49.9142.188.4-50.4-176.3-177.7160.50113.7
336R30Very low30.8Very low205 Ų205160 Ų16077%0.77475%0.749SS**  cis-168.9135.220.5-148.9169.7-178.3-165.90.8114.2
337H31.2Very low30.9Very low154 Ų154156.8 Ų156.871%0.71375%0.747SS**  trans57.4175.6146-74.6-125.2000118.3
338K29.9Very low31Very low167 Ų167157.7 Ų157.773%0.72675%0.753SS**  cis-147.9174.810.6-150.2160-174.2-73.50113
339E27.8Very low31Very low136 Ų136155.1 Ų155.164%0.63675%0.751SS**  trans-39166.1171.2-64.4149.9111.400116.3
340S29.1Very low31.1Very low102 Ų102159.1 Ų159.171%0.71376%0.755SS**  cis-163.9158.541.761.90000118.2
341R29.5Very low31Very low202 Ų202157 Ų15776%0.76275%0.747SS**  18.2144125.4-47.4176.484.3152.53.1117.6
342E29.8Very low30.9Very low145 Ų145160.7 Ų160.768%0.67876%0.758SS**  cis-168.3-167.89.4-129.7169-13400112.1
343R27Very low30.7Very low237 Ų237156 Ų15689%0.89476%0.759SS**  trans82.4104.3164.4-72.1-173.8169.7-167.6-3.8120.9
344S32.7Very low30.5Very low110 Ų110158.2 Ų158.277%0.76978%0.775SS**  trans-67.4173.3135.8-16.90000110.4
345P44.9Very low30.3Very low111 Ų111151.4 Ų151.472%0.72177%0.765SS**  cis-153.2168.843.244-23000120.5
346K30.4Very low30.1Very low190 Ų190150.4 Ų150.483%0.82677%0.773SS**  trans80.1149.1136.6-93.2177.2180-176.30122.7
347I30.4Very low30.4Very low160 Ų160149.8 Ų149.882%0.82178%0.776SS**  trans81.7132.4160.2-65.2153000117.2
348S30.7Very low30.9Very low108 Ų108147.6 Ų147.676%0.75578%0.775SS**  trans-135138.8179.754.10000108.1
349E30Very low31Very low188 Ų188147.2 Ų147.288%0.87978%0.776SS**  trans-146.3169.8164-83.9-115.997.400110.3
350K30.1Very low31.2Very low195 Ų195150.5 Ų150.585%0.84878%0.782SS**  trans-78.8172.5176.2-60.8168.2178.4170.20109.3
351S29.3Very low31.3Very low105 Ų105153.8 Ų153.873%0.73479%0.786SS**  cis-170.5157.137.639.60000114.1
352L28.9Very low31.4Very low161 Ų161150.8 Ų150.884%0.84378%0.78SS**  trans27.3152.6141.3-58.4174.5000123.6
353S27.8Very low31.5Very low121 Ų121154.4 Ų154.485%0.84679%0.794SS**  trans70.2154.3162.868.20000117
354D26.5Very low31.6Very low166 Ų166153.3 Ų153.389%0.88879%0.79SS**  cis-162.7165.2-31.5-178.629.4000107.4
355G26.8Very low31.6Very low49 Ų49153.2 Ų153.251%0.50579%0.789SS.*  trans95.9106.8156.400000119.4
356T29.9Very low31Very low147 Ų147156.9 Ų156.990%0.90279%0.794SS**  78.3134.9129.8-48.10000121.3
357K35.8Very low31Very low191 Ų191156.5 Ų156.583%0.8379%0.792SS**  trans-62.1159.2174.5-67.3167.9-178.6167.40111.8
358P41.1Very low31Very low109 Ų109153 Ų15371%0.70878%0.782SS**  -161.4178.265.145.1-22.9000121.3
359H32Very low31.1Very low159 Ų159157.2 Ų157.274%0.73679%0.787SS**  trans68.8118.2151.1-72.2-50.2000124.1
360R32.5Very low31Very low204 Ų204157.7 Ų157.777%0.7779%0.786SS**  29.6136.7127.5-69.5-179.4173.3170.2-1.8119.3
361H31.8Very low30.9Very low172 Ų172153.3 Ų153.380%0.79678%0.779SS**  -160.8165.5101.1-119.6-98.5000115.3
362H31.6Very low31Very low138 Ų138158.6 Ų158.664%0.63979%0.789SS**  trans-79.7159.1-175.2-62.5-82.2000114.8
363K31Very low31.2Very low222 Ų222159.3 Ų159.397%0.96579%0.786SS**  -125.4137.5129.2-82.1-171.9176.4174.50111.8
364R29.6Very low31.2Very low214 Ų214163.8 Ų163.881%0.80879%0.79SS**  trans-121.7132.2177.9-81.4167.7132.9-176.3-0.3109.4
365S32.7Very low31.5Very low108 Ų108162.7 Ų162.776%0.75578%0.779SS**  trans-168122.614031.80000108.3
366K32.7Very low31.8Very low187 Ų187169.6 Ų169.681%0.81380%0.795SS**  66.7133.676.9-66.3171.5-178.4175.40111
367K30.8Very low31.8Very low183 Ų183171.3 Ų171.380%0.79679%0.79SS**  cis-165.4139.320.6-139.1-171.7179.2-179.60112.4
368S30.6Very low31.6Very low87 Ų87170.9 Ų170.961%0.60879%0.788SS**  50158.2129.667.20000123.7
369K31.5Very low30.9Very low195 Ų195175.5 Ų175.585%0.84879%0.792SS**  cis-176.7137.8-14.1-102.8177.1178.4-175.50108.3
370K27.9Very low30.9Very low199 Ų199175.7 Ų175.787%0.86580%0.797SS**  trans171.1123.9136.3-99.3167.9177.6174.80107.2
371S29.3Very low30.7Very low102 Ų102171.3 Ų171.371%0.71380%0.798SS**  cis75.1100.832.288.80000115.5
372K30.9Very low30.6Very low217 Ų217168.3 Ų168.394%0.94380%0.796SS**  trans-142.7145.7148.3-99.8177.6180176.10108.5
373K31.7Very low30.6Very low176 Ų176168.7 Ų168.777%0.76580%0.798SS**  trans-147.7133.2-174.5177.7-174.2-178.8-173.80107.4H375K373-H375 VanDerWaalsContact CE-NE2 3.3Å; K373-H375 WeakPolarHBondContact CE-NE2 3.36Å
374K28.6Very low30.6Very low214 Ų214164.9 Ų164.993%0.9378%0.782SS**  trans-154.8163.9162.6-122.4174.8-178.5-178.50111.2
375H33Very low30.6Very low144 Ų144159.8 Ų159.867%0.66778%0.775SS**  trans-120.6153.6-158.1-81.5-95.8000113.5K373K373-H375 VanDerWaalsContact CE-NE2 3.3Å; K373-H375 WeakPolarHBondContact CE-NE2 3.36Å
376K33.4Very low30.5Very low193 Ų193162.7 Ų162.784%0.83978%0.776SS**  trans34.5125.9131.5-170.9-178.1-178.7178.30118
377K28.6Very low30.4Very low184 Ų184158.9 Ų158.980%0.877%0.773SS**  trans-140.3138.1147.8-141.1170.7-172.8177.70111.5
378K32.4Very low30.5Very low182 Ų182154.9 Ų154.979%0.79177%0.768SS**  trans-121.4145.1168.3-173.3-174.3-175.2-173.60105.3
379R26.7Very low30.5Very low206 Ų206156.4 Ų156.478%0.77777%0.774SS**  trans-151.1150.5176.5-119.4-170169.1-157.5-8.9112.9
380L31Very low30.5Very low163 Ų163154.7 Ų154.785%0.85377%0.769SS**  trans-153.4139.4173.3-81168.2000106.7
381S29Very low30.9Very low111 Ų111151 Ų15178%0.77677%0.768SS**  trans166.6149.515358.90000111.1
382S29.5Very low31Very low110 Ų110149.4 Ų149.477%0.76977%0.768SS**  trans-78.8-175.4179.548.90000113
383E30.9Very low31.1Very low146 Ų146144.7 Ų144.768%0.68276%0.762SS**  cis-138-156.414.2-51.1-175.989.800111.6
384K32Very low31.3Very low141 Ų141143.3 Ų143.361%0.61376%0.759SS**  cis-162.4172.82.7-141.3177.6-176.174.40110.4
385T29.5Very low31.6Very low108 Ų108140.5 Ų140.566%0.66375%0.746SS**  trans46.8124.9156.353.20000119.7
386H31.6Very low31.7Very low168 Ų168140.9 Ų140.978%0.77875%0.753SS**  -167.6155.955.4-97.5-86.2000112.4
387S29.9Very low31.7Very low107 Ų107135.8 Ų135.875%0.74874%0.742SS**  trans52.7141.5153.151.40000120.7
388S33.2Very low31.9Very low100 Ų100135.1 Ų135.170%0.69974%0.741SS**  cis-159.9157.48-99.20000111.7
389T29.8Very low31.9Very low119 Ų119134.9 Ų134.973%0.7374%0.743SS**  trans55154.4157.263.80000120
390E32.5Very low32.2Very low158 Ų158132.3 Ų132.374%0.73874%0.74SS**  cis-155.9148.4-640-130.496.500114
391S35.8Very low32.1Very low121 Ų121129.5 Ų129.585%0.84673%0.73SS**  trans65.4134.8150.261.30000124.8
392G31.1Very low32.1Very low69 Ų69128.7 Ų128.771%0.71172%0.724SS**  trans106.9110.6158.500000115.8
393S33.7Very low32.2Very low118 Ų118129.1 Ų129.183%0.82572%0.722SS**  cis79.7121.148.578.80000113.5
394E35.1Very low32.3Very low148 Ų148130.3 Ų130.369%0.69273%0.728SS**  cis-152.1166.28.2-57.2-174.179.300112.9
395K36.1Very low32.3Very low155 Ų155128.3 Ų128.367%0.67473%0.732SS**  trans50.9125.7142.9-71.4157.9-172.8158.70121.2
396D33.3Very low32.5Very low152 Ų152131.1 Ų131.181%0.81374%0.742SS**  76.1140.569.1-60.8-38.1000113.4
397S33.3Very low32.5Very low86 Ų86128.7 Ų128.760%0.60174%0.744SS**  cis-165.1166.9-2.950.20000112.7
398E33.5Very low32.4Very low169 Ų169127.3 Ų127.379%0.7975%0.746SS**  trans60.7135.9150.4-73.9146.7-162.200120.6
399E32.9Very low32.2Very low177 Ų177126 Ų12683%0.82775%0.748SS**  65.5144.775.9-74.2-166.7-172.400114.8
400E31.8Very low32.3Very low153 Ų153128.2 Ų128.272%0.71576%0.755SS**  cis-152-155.36.7-127.4-80.3151.200111.2
401T28.7Very low32.3Very low104 Ų104129.1 Ų129.164%0.63876%0.756SS**  trans-104.5166.5-155.6-39.80000116.2
402S30.5Very low32Very low93 Ų93131.6 Ų131.665%0.6576%0.755SS**  trans110.7116.5139.4-55.80000123.4
403T30.1Very low32.1Very low120 Ų120136 Ų13674%0.73676%0.757SS**  68.9128.8128.660.20000126.6
404Q33.5Very low32Very low171 Ų171138.4 Ų138.480%0.79976%0.755SS**  89.894.7128.2-79.4-178.57.200125.1
405S32.7Very low31.7Very low99 Ų99134.6 Ų134.669%0.69276%0.755SS**  73.8134.3116.259.10000126.8
406L33.9Very low31.4Very low167 Ų167133.4 Ų133.487%0.87476%0.761SS**  trans104.1107132.7-86.1166.9000124.2
407S30.1Very low31.3Very low117 Ų117133.7 Ų133.782%0.81876%0.758SS**  trans-164.7166.8144.162.60000108.5
408G28.3Very low31.3Very low78 Ų78136.8 Ų136.880%0.80476%0.763SS**  cis112.9115-9.500000114.4
409G30Very low31.4Very low72 Ų72136 Ų13674%0.74276%0.756SS**  cis177.9-169.8-7.700000111.7
410L31.4Very low31.3Very low166 Ų166133.4 Ų133.487%0.86976%0.756SS**  trans101.9126.5164-58172.5000122.1
411K31.4Very low31.4Very low176 Ų176130.6 Ų130.677%0.76576%0.76SS**  trans74.2138.3148.1-67.5178.2-179.8-170.30121.1
412E29.9Very low31.4Very low173 Ų173129.1 Ų129.181%0.80877%0.765SS**  cis80.5137.817.9-63.8174.8165.800116
413E32.8Very low31.7Very low162 Ų162133.2 Ų133.276%0.75777%0.774SS**  cis-151.5-1787.8-92.9-127.9109.400112.3
414E31.5Very low31.7Very low169 Ų169133.6 Ų133.679%0.7977%0.771SS**  trans-2.1170.4161.4-56.4-155.6137.900123.4
415G29.1Very low31.8Very low67 Ų67132.3 Ų132.369%0.69177%0.77SS**  cis-173.4-153.99.300000110.6
416T30.2Very low32Very low130 Ų130135.4 Ų135.480%0.79878%0.778SS**  cis-149.6-113.9-2.5-420000111.5
417Q31.6Very low32Very low159 Ų159134.3 Ų134.374%0.74377%0.773SS**  trans-157.9161.7-170-62.8-178.2-12.800115.2
418E32.7Very low32.2Very low151 Ų151134.5 Ų134.571%0.70677%0.774SS**  177.8128.7114.6-83.4-142.4119.500111.1
419K36.8Very low32.7Very low152 Ų152139.2 Ų139.266%0.66178%0.775SS**  65.2143.287.2-58.8-173.8-155.5141.20114.5
420C30.3Very low33.1Very low122 Ų122142.3 Ų142.382%0.82478%0.779SS**  cis-153.4177.133.6-95.20000110.6
421A33.8Very low33.3Very low95 Ų95143.2 Ų143.279%0.78578%0.776SS**  cis-172.9157.8-23.200000111.5
422G28.9Very low33.6Very low73 Ų73141.9 Ų141.975%0.75378%0.776SS**  trans85.1159.7153.600000119.6
423Q35.8Very low34Very low179 Ų179141.9 Ų141.984%0.83678%0.776SS**  cis-168.2163.8-21.8-141.4-178.4-32.500112.4
424N31.3Very low34.1Very low128 Ų128138.9 Ų138.968%0.68478%0.779SS**  trans89.9145.8157.1-57.3-14.6000120.5
425D34.3Very low34.5Very low144 Ų144136.6 Ų136.677%0.7778%0.782SS**  trans-113.1175-164.9-39.5-104.7000112.4
426L36.9Very low34.8Very low163 Ų163138 Ų13885%0.85379%0.786SS**  168.1162.6117.2-87.8175.5000113.8
427D33.8Very low35.3Very low145 Ų145140.6 Ų140.678%0.77579%0.789SS**  trans-80.8168.3-168.2-47.2-92.8000116.3
428S35.9Very low35.6Very low121 Ų121140.2 Ų140.285%0.84679%0.791SS**  -169.3139.7127.3210000113.6
429E38Very low36.1Very low176 Ų176142.5 Ų142.582%0.82280%0.799SS**  trans-84.8150.7167.5-58.9174.390.900111.6
430V37.9Very low36.4Very low137 Ų137141 Ų14183%0.8380%0.803SS**  trans-140.2136.8149.7-177.40000109.7I432V430-I432 HydrophobicContact CG1-CD1 4.48Å; V430-I432 HydrophobicContact CG1-CG1 4.43Å
431K37Very low37Very low185 Ų185143.4 Ų143.480%0.80480%0.802SS**  trans-146.698-170.6172.1-165.2171.2-171.50110
432I36.8Very low37.9Very low148 Ų148143.8 Ų143.876%0.75980%0.796SS**  trans-153138.1-179.6-56.4-179.2000107.5V430V430-I432 HydrophobicContact CG1-CD1 4.48Å; V430-I432 HydrophobicContact CG1-CG1 4.43Å
433E37.5Very low38.4Very low174 Ų174145.4 Ų145.481%0.81379%0.792SS**  cis-161169.2-34.7-133.4172.9-173.400107.8
434A36.8Very low38.5Very low98 Ų98144.4 Ų144.481%0.8179%0.787SS**  trans-113.8115.4176.300000110.9
435S38.5Very low39Very low122 Ų122145.2 Ų145.285%0.85379%0.791SS**  trans-95.8107.2179.6-51.40000111.4
436A36.5Very low39.2Very low95 Ų95142.1 Ų142.179%0.78579%0.793SS**  trans-130.689.4169.500000109.1
437E39.7Very low39.7Very low185 Ų185142 Ų14286%0.86479%0.793SS**PPolyproline II helixtrans-83.4131.1177.5-73.6-164.8137.700112.1
438I39Very low40.3Very low151 Ų151142.7 Ų142.777%0.77480%0.795SS**PPolyproline II helixtrans-89.1131.4172.2-62.1166.6000107.6T440I438-T440 HydrophobicContact CG2-CG2 4.32Å
439K43.3Very low40.9Very low199 Ų199146.2 Ų146.287%0.86582%0.82SS**PPolyproline II helixtrans-102.9122.7166.5-76.2-166.4173.6-172.70110.9
440T41.8Very low41Very low122 Ų122144.7 Ų144.775%0.74882%0.82SS**PPolyproline II helixtrans-101.9124174.648.10000110.7I438I438-T440 HydrophobicContact CG2-CG2 4.32Å
441E44Very low41.2Very low172 Ų172145.1 Ų145.180%0.80482%0.819SS**PPolyproline II helixtrans-57.3147.5145.7-72.6-72.7145.700108.4
442P51.3Low41.4Very low102 Ų102142.9 Ų142.966%0.66282%0.82SS**  -154.6164.964.142.6-22.6000119.6
443T39.4Very low41.7Very low108 Ų108142.6 Ų142.666%0.66382%0.824SS**  trans60.8117.9141.652.70000122.7
444E39.7Very low41.9Very low157 Ų157140.6 Ų140.673%0.73483%0.825SS**  93.8130.1123.2-82.8-170.4-145.900124
445N40.8Very low42.3Very low145 Ų145143.5 Ų143.578%0.77583%0.826SS**  trans70.6127.8146.3-52.7-25.4000121.2
446G38.6Very low42.6Very low79 Ų79145 Ų14581%0.81482%0.824SS**  trans154.798.7165.200000114.8
447D46.7Very low43Very low160 Ų160148.8 Ų148.886%0.85683%0.826SS**  trans-84.1-179.4177.3-78.9-69.5000114.4
448I47.8Very low43.3Very low160 Ų160145.8 Ų145.882%0.82182%0.823SS**  trans90.493.2159.5-45.8171.6000116.8
449S47.2Very low43.7Very low195 Ų195145.4 Ų145.4100%1.36483%0.828SS**  -166.70112.2-74.10000111.2

Retrieved 449 of 449 residues in 350.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).