A0AA82N836_SCHMA Loading...

Uncharacterized protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N836, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.2Very low55.4Low213 Ų213136.8 Ų136.8100%1.04963%0.632SS**  0119.50-62.8-160-17800108.3Y3M1-Y3 PolarHBondContact O-N 3.3Å
2T46.3Very low56.2Low131 Ų131132.1 Ų132.180%0.80461%0.614SS**  trans-80.1102.3175.645.30000108.4R4T2-R4 PolarHBondContact O-N 3.43Å
3Y43.1Very low56.8Low189 Ų189125.9 Ų125.974%0.74159%0.592SS**  trans-65.1100169.6-69.2-83000107.8M1 Y5M1-Y3 PolarHBondContact O-N 3.3Å; Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.24Å
4R54.5Low57.3Low202 Ų202127.1 Ų127.176%0.76259%0.589SS**  trans-7193.2168.4-75.8-179.1179.7154.31.8106.6T2T2-R4 PolarHBondContact O-N 3.43Å
5Y53.1Low58Low203 Ų203125.9 Ų125.980%0.79659%0.594SS**PPolyproline II helixtrans-49.6128.4168.5-76.7-89.5000108.4Y3 C7Y3-Y5 VanDerWaalsContact C-N 3.28Å; Y3-Y5 PolarHBondContact O-N 3.24Å; Y5-C7 PolarHBondContact O-N 3.33Å; Y5-C7 VanDerWaalsContact O-N 3.08Å
6P56.2Low58.7Low90 Ų90129.1 Ų129.158%0.58461%0.605SS**PPolyproline II helixtrans-57123.217422.9-30.4000106.9I10P6-I10 HydrophobicContact CB-CB 4.07Å; P6-I10 HydrophobicContact CB-CD1 3.9Å; P6-I10 HydrophobicContact CB-CG2 4.03Å
7C61.4Low59.2Low42 Ų42130.9 Ų130.928%0.28461%0.605SS.*PPolyproline II helixtrans-57.4152.4-178.2670000109.3Y5 H9 I10 C29Y5-C7 PolarHBondContact O-N 3.33Å; Y5-C7 VanDerWaalsContact O-N 3.08Å; C7-H9 PolarHBondContact O-N 3.22Å; C7-I10 PolarHBondContact O-N 2.89Å; C7-C29 PolarHBondContact SG-SG 3.49Å
8R62.9Low59.5Low195 Ų195128.8 Ų128.874%0.73661%0.605SS**Hα-helixtrans-48.1-27.7178-175.6174.8174.3-120.71.8113.1L11 L12R8-L11 PolarHBondContact O-N 3.46Å; R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 HydrophobicContact CG-CG 4.5Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3Å
9H62.8Low60.2Low93 Ų93129.1 Ų129.143%0.43162%0.616SS.*Hα-helixtrans-66.1-40.1175-56.199.5000114C7 L11 L12 T13 W32C7-H9 PolarHBondContact O-N 3.22Å; H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 PolarHBondContact O-N 3.36Å; H9-L12 PolarHBondContact O-N 3.14Å; H9-T13 WeakPolarHBondContact O-CB 3.13Å; H9-T13 PolarHBondContact O-N 3.19Å; H9-T13 PolarHBondContact O-OG1 2.88Å; H9-W32 AromaticContact CE1-CH2 3.87Å; H9-W32 AromaticContact CE1-CZ3 3.36Å; H9-W32 WeakPolarHBondContact CE1-CZ3 3.47Å; H9-W32 AromaticContact NE2-CH2 3.75Å; H9-W32 AromaticContact NE2-CZ3 3.73Å
10I63.9Low60.3Low33 Ų33125 Ų12517%0.16960%0.598CS.*Hα-helixtrans-61.5-44.9177-68.2165000109.4P6 C7 T13 Y14 I25 L26P6-I10 HydrophobicContact CB-CB 4.07Å; P6-I10 HydrophobicContact CB-CD1 3.9Å; P6-I10 HydrophobicContact CB-CG2 4.03Å; C7-I10 PolarHBondContact O-N 2.89Å; I10-T13 PolarHBondContact O-N 2.95Å; I10-Y14 WeakPolarHBondContact O-CB 3.43Å; I10-Y14 PolarHBondContact O-N 3.26Å; I10-I25 HydrophobicContact CB-CG2 4.14Å; I10-I25 HydrophobicContact CG1-CG2 3.89Å; I10-I25 HydrophobicContact CG2-CG2 4.09Å; I10-L26 HydrophobicContact CD1-CD2 3.75Å
11L66.4Low60.4Low114 Ų114123.3 Ų123.360%0.59760%0.596SS**Hα-helixtrans-59.4-49.9176.2-173.566.5000111.3R8 H9 T13 Y14 V15R8-L11 PolarHBondContact O-N 3.46Å; H9-L11 VanDerWaalsContact C-N 3.3Å; H9-L11 PolarHBondContact O-N 3.36Å; L11-T13 PolarHBondContact O-N 3.36Å; L11-Y14 PolarHBondContact O-N 2.96Å; L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.01Å; L11-V15 VanDerWaalsContact O-N 3.09Å
12L64.3Low61.4Low80 Ų80116.3 Ų116.342%0.41957%0.572SS.*Hα-helixtrans-63.7-37.3179.2-71.7170.5000113.3R8 H9 K16R8-L12 HydrophobicContact CG-CD1 4.16Å; R8-L12 HydrophobicContact CG-CG 4.5Å; R8-L12 WeakPolarHBondContact O-CG 3.34Å; R8-L12 PolarHBondContact O-N 3Å; H9-L12 PolarHBondContact O-N 3.14Å; L12-K16 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-N 3.17Å
13T63.9Low62.2Low52 Ų52116 Ų11632%0.31956%0.561SS.*Hα-helixtrans-70.9-41.3179.9-47.90000110.9H9 I10 L11 K16 R17 L20 I25H9-T13 WeakPolarHBondContact O-CB 3.13Å; H9-T13 PolarHBondContact O-N 3.19Å; H9-T13 PolarHBondContact O-OG1 2.88Å; I10-T13 PolarHBondContact O-N 2.95Å; L11-T13 PolarHBondContact O-N 3.36Å; T13-K16 PolarHBondContact O-N 3.41Å; T13-R17 PolarHBondContact O-N 3.07Å; T13-L20 HydrophobicContact CG2-CD1 4.23Å; T13-I25 HydrophobicContact CG2-CD1 4.4Å; T13-I25 HydrophobicContact CG2-CG1 4.23Å; T13-I25 HydrophobicContact CG2-CG2 4.17Å
14Y64.2Low63.1Low143 Ų143112 Ų11256%0.56155%0.549SS*.Hα-helixtrans-60.7-44.4175.4-175.3-101.1000111.7I10 L11 K16 R17I10-Y14 WeakPolarHBondContact O-CB 3.43Å; I10-Y14 PolarHBondContact O-N 3.26Å; L11-Y14 PolarHBondContact O-N 2.96Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.24Å; Y14-R17 CarbonylContact O-C 3.6Å; Y14-R17 PolarHBondContact O-N 2.88Å
15V68.2Low63.4Low108 Ų108102.8 Ų102.866%0.65552%0.515SS*.Hα-helixtrans-60.3-41175.9171.60000112L11L11-V15 VanDerWaalsContact O-CG2 3.32Å; L11-V15 WeakPolarHBondContact O-CG2 3.44Å; L11-V15 PolarHBondContact O-N 3.01Å; L11-V15 VanDerWaalsContact O-N 3.09Å
16K68.5Low63.6Low177 Ų17797.7 Ų97.777%0.7750%0.5SS*.Hα-helixtrans-78.2-26.1-178.6-72.5-169.9177.8-170.90114L12 T13 Y14L12-K16 PolarHBondContact O-N 3.43Å; L12-K16 VanDerWaalsContact O-N 3.17Å; T13-K16 PolarHBondContact O-N 3.41Å; Y14-K16 VanDerWaalsContact C-N 3.34Å; Y14-K16 PolarHBondContact O-N 3.24Å
17R66.9Low63.7Low160 Ų160101.7 Ų101.760%0.60450%0.504SS*.  trans-145.580.5-173.6-67-173.4179.4-179.20.7110.7T13 Y14 T19 L20T13-R17 PolarHBondContact O-N 3.07Å; Y14-R17 CarbonylContact O-C 3.6Å; Y14-R17 PolarHBondContact O-N 2.88Å; R17-T19 PolarHBondContact O-N 3.14Å; R17-L20 HydrophobicContact CB-CD1 3.63Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 PolarHBondContact O-N 2.92Å; R17-L20 VanDerWaalsContact O-N 3.15Å
18P64.4Low63.5Low93 Ų93103.2 Ų103.260%0.60451%0.513SS*.THydrogen-bonded Turntrans-66.4-20.4-175.723.3-32000113.9L20P18-L20 PolarHBondContact O-N 3.29Å
19T73.4Confident63.2Low134 Ų13495.9 Ų95.982%0.82249%0.491SS*.THydrogen-bonded Turntrans-75.9-8.8176.856.70000113.8R17 T21R17-T19 PolarHBondContact O-N 3.14Å; T19-T21 PolarHBondContact O-N 3.33Å
20L62.3Low62.9Low47 Ų4794.9 Ų94.925%0.24650%0.495CS..SBendtrans-80.7111.7176.8-69.8179.2000110.5T13 R17 P18 H24 I25T13-L20 HydrophobicContact CG2-CD1 4.23Å; R17-L20 HydrophobicContact CB-CD1 3.63Å; R17-L20 HydrophobicContact CB-CG 3.86Å; R17-L20 HydrophobicContact CG-CD1 4.24Å; R17-L20 PolarHBondContact O-N 2.92Å; R17-L20 VanDerWaalsContact O-N 3.15Å; P18-L20 PolarHBondContact O-N 3.29Å; L20-H24 HydrophobicContact CD2-CB 4.2Å; L20-I25 HydrophobicContact CB-CD1 4.25Å; L20-I25 HydrophobicContact CB-CG1 4.11Å
21T62.8Low62.4Low91 Ų91102.4 Ų102.456%0.55852%0.521SS*.  trans-56.8143.8170.9-13.60000110.5T19 H23 H24T19-T21 PolarHBondContact O-N 3.33Å; T21-H23 PolarHBondContact O-N 2.85Å; T21-H24 WeakPolarHBondContact O-CB 3.41Å; T21-H24 PolarHBondContact O-N 3.45Å; T21-H24 PolarHBondContact OG1-ND1 2.95Å
22A60.9Low61.5Low66 Ų66103 Ų10355%0.54552%0.515SS..Hα-helixtrans-48.2-35.1-178.600000113.5H24 I25 L26A22-H24 VanDerWaalsContact C-N 3.34Å; A22-H24 PolarHBondContact O-N 3.08Å; A22-I25 PolarHBondContact O-N 3.27Å; A22-I25 VanDerWaalsContact O-N 3.08Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.79Å
23H62.4Low60.9Low124 Ų124105.2 Ų105.257%0.57452%0.522SS*.Hα-helixtrans-56.6-41.1175-176.1-97.3000113.7T21 I25 L26 R27T21-H23 PolarHBondContact O-N 2.85Å; H23-I25 VanDerWaalsContact C-N 3.28Å; H23-I25 PolarHBondContact O-N 3.49Å; H23-L26 PolarHBondContact O-N 2.96Å; H23-R27 PolarHBondContact O-N 2.65Å
24H62.8Low60.4Low105 Ų105108.8 Ų108.849%0.48654%0.538SS..Hα-helixtrans-67.1-28.9176.5-68.5110.5000112.8L20 T21 A22 P28L20-H24 HydrophobicContact CD2-CB 4.2Å; T21-H24 WeakPolarHBondContact O-CB 3.41Å; T21-H24 PolarHBondContact O-N 3.45Å; T21-H24 PolarHBondContact OG1-ND1 2.95Å; A22-H24 VanDerWaalsContact C-N 3.34Å; A22-H24 PolarHBondContact O-N 3.08Å; H24-P28 WeakPolarHBondContact O-CD 3.45Å; H24-P28 WeakPolarHBondContact O-CG 3.39Å
25I59.3Low59.8Low9 Ų9106.7 Ų106.75%0.04654%0.537CS..Hα-helixtrans-86-32.7-179-50.8177.4000111I10 T13 L20 A22 H23 P28I10-I25 HydrophobicContact CB-CG2 4.14Å; I10-I25 HydrophobicContact CG1-CG2 3.89Å; I10-I25 HydrophobicContact CG2-CG2 4.09Å; T13-I25 HydrophobicContact CG2-CD1 4.4Å; T13-I25 HydrophobicContact CG2-CG1 4.23Å; T13-I25 HydrophobicContact CG2-CG2 4.17Å; L20-I25 HydrophobicContact CB-CD1 4.25Å; L20-I25 HydrophobicContact CB-CG1 4.11Å; A22-I25 PolarHBondContact O-N 3.27Å; A22-I25 VanDerWaalsContact O-N 3.08Å; H23-I25 VanDerWaalsContact C-N 3.28Å; H23-I25 PolarHBondContact O-N 3.49Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.37Å
26L57.3Low58.7Low95 Ų95104.8 Ų104.850%0.49752%0.523SS..Hα-helixtrans-72.6-32.5178.6-69.3173.3000113.2I10 A22 H23 C29 S30I10-L26 HydrophobicContact CD1-CD2 3.75Å; A22-L26 WeakPolarHBondContact O-CB 3.31Å; A22-L26 VanDerWaalsContact O-CG 3.25Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 2.79Å; H23-L26 PolarHBondContact O-N 2.96Å; L26-C29 WeakPolarHBondContact O-CB 3.29Å; L26-C29 PolarHBondContact O-N 3.26Å; L26-C29 VanDerWaalsContact O-N 3.09Å; L26-S30 PolarHBondContact O-N 3.18Å; L26-S30 VanDerWaalsContact O-N 3.08Å
27R59Low58Low175 Ų175100.7 Ų100.766%0.6651%0.513SS*.Hα-helixtrans-58.4-48.9176.5-110.8-178.3170.1-152.2-2.1113.7H23 C29 S30 R31H23-R27 PolarHBondContact O-N 2.65Å; R27-C29 VanDerWaalsContact C-N 3.27Å; R27-C29 PolarHBondContact O-N 3.42Å; R27-S30 PolarHBondContact O-OG 2.75Å; R27-S30 VanDerWaalsContact O-OG 3.04Å; R27-R31 PolarHBondContact O-N 3.08Å
28P56.2Low57.1Low74 Ų7498.4 Ų98.448%0.48151%0.509SS..Hα-helixtrans-59.5-40.4170.6-17.221.2000111.3H24 I25 S30 R31 W32H24-P28 WeakPolarHBondContact O-CD 3.45Å; H24-P28 WeakPolarHBondContact O-CG 3.39Å; I25-P28 VanDerWaalsContact O-CD 3.31Å; I25-P28 WeakPolarHBondContact O-CD 3.37Å; P28-S30 PolarHBondContact O-N 2.92Å; P28-R31 PolarHBondContact O-N 3.22Å; P28-W32 VanDerWaalsContact O-CB 3.31Å; P28-W32 WeakPolarHBondContact O-CB 3.29Å; P28-W32 PolarHBondContact O-N 3.07Å
29C56.4Low56.4Low40 Ų4097.4 Ų97.427%0.2750%0.499SS..Hα-helixtrans-66.1-34.5-173.8-162.40000113.5C7 L26 R27 K33C7-C29 PolarHBondContact SG-SG 3.49Å; L26-C29 WeakPolarHBondContact O-CB 3.29Å; L26-C29 PolarHBondContact O-N 3.26Å; L26-C29 VanDerWaalsContact O-N 3.09Å; R27-C29 VanDerWaalsContact C-N 3.27Å; R27-C29 PolarHBondContact O-N 3.42Å; C29-K33 WeakPolarHBondContact O-CB 3.2Å; C29-K33 PolarHBondContact O-N 3.43Å
30S57Low55.1Low73 Ų7398 Ų9851%0.5149%0.49SS..Hα-helixtrans-70.4-42.9174.255.50000112.2L26 R27 P28 W32 K33 L34L26-S30 PolarHBondContact O-N 3.18Å; L26-S30 VanDerWaalsContact O-N 3.08Å; R27-S30 PolarHBondContact O-OG 2.75Å; R27-S30 VanDerWaalsContact O-OG 3.04Å; P28-S30 PolarHBondContact O-N 2.92Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 2.91Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.46Å; S30-L34 PolarHBondContact O-N 3.11Å
31R53.8Low54.5Low191 Ų191102.1 Ų102.172%0.72151%0.508SS*.Hα-helixtrans-63.8-37.2171.9-71.9-176.773.1-179.73.1112.1R27 P28 K33 L34 N35R27-R31 PolarHBondContact O-N 3.08Å; P28-R31 PolarHBondContact O-N 3.22Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.08Å; R31-L34 PolarHBondContact O-N 3.41Å; R31-N35 PolarHBondContact O-N 3.3Å; R31-N35 VanDerWaalsContact O-N 3.09Å
32W48.4Very low53.8Low125 Ų125104.5 Ų104.547%0.47351%0.507SS..Hα-helixtrans-67.3-32.8174.7-127.664.6000111.7H9 P28 S30 L34 N35 N36H9-W32 AromaticContact CE1-CH2 3.87Å; H9-W32 AromaticContact CE1-CZ3 3.36Å; H9-W32 WeakPolarHBondContact CE1-CZ3 3.47Å; H9-W32 AromaticContact NE2-CH2 3.75Å; H9-W32 AromaticContact NE2-CZ3 3.73Å; P28-W32 VanDerWaalsContact O-CB 3.31Å; P28-W32 WeakPolarHBondContact O-CB 3.29Å; P28-W32 PolarHBondContact O-N 3.07Å; S30-W32 VanDerWaalsContact C-N 3.32Å; S30-W32 PolarHBondContact O-N 2.91Å; W32-L34 VanDerWaalsContact C-N 3.32Å; W32-L34 PolarHBondContact O-N 3.06Å; W32-N35 PolarHBondContact O-N 3.49Å; W32-N36 VanDerWaalsContact CE3-ND2 3.32Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.28Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.05Å; W32-N36 VanDerWaalsContact O-CB 3.26Å; W32-N36 WeakPolarHBondContact O-CB 3.46Å; W32-N36 PolarHBondContact O-N 3.3Å
33K51.1Low53.1Low127 Ų127106 Ų10655%0.55251%0.507SS*.Hα-helixtrans-62.8-40.6174.1-153.6178.1-174.7-173.70111.3C29 S30 R31 T37C29-K33 WeakPolarHBondContact O-CB 3.2Å; C29-K33 PolarHBondContact O-N 3.43Å; S30-K33 WeakPolarHBondContact O-CB 3.37Å; S30-K33 PolarHBondContact O-N 3.46Å; R31-K33 VanDerWaalsContact C-N 3.3Å; R31-K33 PolarHBondContact O-N 3.08Å; K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 2.97Å
34L52.2Low52.4Low128 Ų128104.5 Ų104.567%0.6751%0.506SS*.Hα-helixtrans-64.9-49.4175-76.7165.5000111.6S30 R31 W32 N36 T37 H38S30-L34 PolarHBondContact O-N 3.11Å; R31-L34 PolarHBondContact O-N 3.41Å; W32-L34 VanDerWaalsContact C-N 3.32Å; W32-L34 PolarHBondContact O-N 3.06Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.4Å; L34-T37 PolarHBondContact O-N 3.28Å; L34-T37 VanDerWaalsContact O-N 3.15Å; L34-H38 PolarHBondContact O-N 2.95Å
35N52.4Low51.9Low99 Ų99104.9 Ų104.953%0.52952%0.516SS..Hα-helixtrans-64.6-37.5178.4-73.22.1000112.3R31 W32 H38 N39R31-N35 PolarHBondContact O-N 3.3Å; R31-N35 VanDerWaalsContact O-N 3.09Å; W32-N35 PolarHBondContact O-N 3.49Å; N35-H38 PolarHBondContact O-N 3.37Å; N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.35Å; N35-N39 PolarHBondContact O-ND2 2.94Å
36N45.7Very low51.4Low68 Ų68109.2 Ų109.236%0.36454%0.543SS..Hα-helixtrans-70.2-32.6174.7-91.70.8000112.1W32 L34 H38 N39 F40W32-N36 VanDerWaalsContact CE3-ND2 3.32Å; W32-N36 VanDerWaalsContact CZ3-ND2 3.28Å; W32-N36 WeakPolarHBondContact CZ3-ND2 3.05Å; W32-N36 VanDerWaalsContact O-CB 3.26Å; W32-N36 WeakPolarHBondContact O-CB 3.46Å; W32-N36 PolarHBondContact O-N 3.3Å; L34-N36 VanDerWaalsContact C-N 3.33Å; L34-N36 PolarHBondContact O-N 3.4Å; N36-H38 VanDerWaalsContact C-N 3.32Å; N36-N39 CarbonylContact O-C 3.58Å; N36-N39 PolarHBondContact O-N 3.16Å; N36-F40 WeakPolarHBondContact O-CA 3.44Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.03Å
37T53.2Low51.3Low91 Ų91109 Ų10956%0.55855%0.55SS*.Hα-helixtrans-68.6-38.6176-45.60000110.2K33 L34 F40 H41K33-T37 PolarHBondContact O-N 3.39Å; K33-T37 PolarHBondContact O-OG1 2.97Å; L34-T37 PolarHBondContact O-N 3.28Å; L34-T37 VanDerWaalsContact O-N 3.15Å; T37-F40 PolarHBondContact O-N 2.95Å; T37-H41 WeakPolarHBondContact O-CB 3.21Å; T37-H41 PolarHBondContact O-N 3.23Å
38H49.1Very low51.3Low111 Ų111108.3 Ų108.351%0.51456%0.558SS.*Hα-helixtrans-64.1-48.9173.7-160.463.7000111.5L34 N35 N36 F40 H41 Y42L34-H38 PolarHBondContact O-N 2.95Å; N35-H38 PolarHBondContact O-N 3.37Å; N36-H38 VanDerWaalsContact C-N 3.32Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 2.91Å; H38-H41 PolarHBondContact O-N 2.93Å; H38-Y42 AromaticContact CD2-CE2 3.9Å; H38-Y42 AromaticContact CE1-CE2 3.45Å; H38-Y42 VanDerWaalsContact CE1-CE2 3.45Å; H38-Y42 WeakPolarHBondContact CE1-CE2 3.29Å; H38-Y42 AromaticContact ND1-CE2 3.81Å; H38-Y42 AromaticContact NE2-CE2 3.5Å; H38-Y42 WeakPolarHBondContact NE2-CE2 3.47Å; H38-Y42 WeakPolarHBondContact O-CD2 3.37Å; H38-Y42 PolarHBondContact O-N 2.95Å; H38-Y42 VanDerWaalsContact O-N 3.09Å
39N48.8Very low51.4Low73 Ų73110.1 Ų110.139%0.3957%0.57SS.*Hα-helixtrans-65.9-32.3174.4-68.6-30000112.2N35 N36 H41 Y42 N43N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.35Å; N35-N39 PolarHBondContact O-ND2 2.94Å; N36-N39 CarbonylContact O-C 3.58Å; N36-N39 PolarHBondContact O-N 3.16Å; N39-H41 VanDerWaalsContact C-N 3.32Å; N39-Y42 PolarHBondContact O-N 3.47Å; N39-N43 WeakPolarHBondContact O-CA 3.33Å; N39-N43 WeakPolarHBondContact O-CB 3.38Å; N39-N43 PolarHBondContact O-N 3.47Å; N39-N43 PolarHBondContact O-ND2 2.98Å; N39-N43 PolarHBondContact O-OD1 3.36Å
40F45.8Very low51.9Low146 Ų146119.7 Ų119.764%0.6460%0.6SS**Hα-helixtrans-67.4-39.1176-136.2-96.1000110.1N36 T37 H38 T44N36-F40 WeakPolarHBondContact O-CA 3.44Å; N36-F40 WeakPolarHBondContact O-CB 3.4Å; N36-F40 PolarHBondContact O-N 3.03Å; T37-F40 PolarHBondContact O-N 2.95Å; H38-F40 VanDerWaalsContact C-N 3.32Å; H38-F40 PolarHBondContact O-N 2.91Å; F40-T44 HydrophobicContact CD1-CG2 4.03Å; F40-T44 HydrophobicContact CE1-CG2 4.14Å; F40-T44 WeakPolarHBondContact O-CB 3.34Å; F40-T44 PolarHBondContact O-N 3.4Å; F40-T44 PolarHBondContact O-OG1 3.36Å
41H50.4Low52.6Low134 Ų134124 Ų12462%0.6261%0.605SS**Hα-helixtrans-65.9-39.7177.1-167.761.9000112T37 H38 N39 T44T37-H41 WeakPolarHBondContact O-CB 3.21Å; T37-H41 PolarHBondContact O-N 3.23Å; H38-H41 PolarHBondContact O-N 2.93Å; N39-H41 VanDerWaalsContact C-N 3.32Å; H41-T44 PolarHBondContact O-OG1 3.49Å
42Y48.1Very low53.8Low140 Ų140118 Ų11855%0.54959%0.592SS.*Hα-helixtrans-78.2-33.6175.4-72.6-69.4000113.8H38 N39 T45H38-Y42 AromaticContact CD2-CE2 3.9Å; H38-Y42 AromaticContact CE1-CE2 3.45Å; H38-Y42 VanDerWaalsContact CE1-CE2 3.45Å; H38-Y42 WeakPolarHBondContact CE1-CE2 3.29Å; H38-Y42 AromaticContact ND1-CE2 3.81Å; H38-Y42 AromaticContact NE2-CE2 3.5Å; H38-Y42 WeakPolarHBondContact NE2-CE2 3.47Å; H38-Y42 WeakPolarHBondContact O-CD2 3.37Å; H38-Y42 PolarHBondContact O-N 2.95Å; H38-Y42 VanDerWaalsContact O-N 3.09Å; N39-Y42 PolarHBondContact O-N 3.47Å; Y42-T45 PolarHBondContact O-OG1 3.03Å
43N46.1Very low55.5Low99 Ų99119.5 Ų119.553%0.52961%0.605SS.*Hα-helixtrans-85-14.6-178.8-58.4-12.4000112.7N39 T45 T46N39-N43 WeakPolarHBondContact O-CA 3.33Å; N39-N43 WeakPolarHBondContact O-CB 3.38Å; N39-N43 PolarHBondContact O-N 3.47Å; N39-N43 PolarHBondContact O-ND2 2.98Å; N39-N43 PolarHBondContact O-OD1 3.36Å; N43-T45 PolarHBondContact O-N 3.04Å; N43-T46 VanDerWaalsContact O-CB 3.31Å; N43-T46 WeakPolarHBondContact O-CB 3.39Å; N43-T46 PolarHBondContact O-N 3.05Å; N43-T46 VanDerWaalsContact O-N 3.1Å; N43-T46 PolarHBondContact O-OG1 3.11Å
44T48.4Very low57Low91 Ų91119.6 Ų119.656%0.55861%0.607SS**THydrogen-bonded Turntrans-69-20.1169.723.60000112F40 H41 T46F40-T44 HydrophobicContact CD1-CG2 4.03Å; F40-T44 HydrophobicContact CE1-CG2 4.14Å; F40-T44 WeakPolarHBondContact O-CB 3.34Å; F40-T44 PolarHBondContact O-N 3.4Å; F40-T44 PolarHBondContact O-OG1 3.36Å; H41-T44 PolarHBondContact O-OG1 3.49Å; T44-T46 VanDerWaalsContact C-N 3.29Å
45T50.5Low58.4Low113 Ų113118 Ų11869%0.69359%0.593SS**THydrogen-bonded Turntrans-81.6-8.2170.8-21.10000112.9Y42 N43 S47Y42-T45 PolarHBondContact O-OG1 3.03Å; N43-T45 PolarHBondContact O-N 3.04Å; T45-S47 PolarHBondContact O-N 3.39Å
46T50.2Low59.9Low101 Ų101116.5 Ų116.562%0.6258%0.584SS**SBendtrans-69.977.1157.4-36.30000106.2N43 T44 L48N43-T46 VanDerWaalsContact O-CB 3.31Å; N43-T46 WeakPolarHBondContact O-CB 3.39Å; N43-T46 PolarHBondContact O-N 3.05Å; N43-T46 VanDerWaalsContact O-N 3.1Å; N43-T46 PolarHBondContact O-OG1 3.11Å; T44-T46 VanDerWaalsContact C-N 3.29Å; T46-L48 PolarHBondContact O-N 3.08Å
47S54.5Low61.7Low91 Ų91121.2 Ų121.264%0.63660%0.597SS**  trans-43.4120.6166.249.30000105.7T45T45-S47 PolarHBondContact O-N 3.39Å
48L58.7Low63.2Low159 Ų159119.5 Ų119.583%0.83258%0.583SS**  trans-45127166.3-72.5170000105T46 R50T46-L48 PolarHBondContact O-N 3.08Å; L48-R50 PolarHBondContact O-N 3.38Å
49P59.5Low64.8Low113 Ų113118.3 Ų118.373%0.73458%0.578SS**PPolyproline II helixtrans-47.7123.1-174.617.2-30.2000106.7R51P49-R51 PolarHBondContact O-N 3.41Å
50R66.1Low66.7Low241 Ų241123.3 Ų123.391%0.90959%0.591SS**PPolyproline II helixtrans-46.9117.1-179.5174.7177.6172.5141.6-3.9106L48 S52L48-R50 PolarHBondContact O-N 3.38Å; R50-S52 PolarHBondContact O-N 3.42Å
51R71.9Confident68.6Low164 Ų164118.7 Ų118.762%0.61958%0.577SS**PPolyproline II helixtrans-50.4130.3-179.3-76.5175.1173.8169.30.9107.6P49 Y55 I56P49-R51 PolarHBondContact O-N 3.41Å; R51-Y55 HydrophobicContact CB-CD1 3.97Å; R51-Y55 HydrophobicContact CG-CD1 3.88Å; R51-Y55 HydrophobicContact CG-CE1 4.11Å; R51-I56 HydrophobicContact CB-CD1 4.24Å; R51-I56 HydrophobicContact CB-CG1 3.99Å
52S79.1Confident70.3Confident63 Ų63114.8 Ų114.844%0.44156%0.559SS.*PPolyproline II helixtrans-56.5146.6178.464.70000109.3R50 E54 Y55 I56R50-S52 PolarHBondContact O-N 3.42Å; S52-E54 PolarHBondContact O-N 2.97Å; S52-Y55 PolarHBondContact O-N 3.43Å; S52-Y55 VanDerWaalsContact OG-CB 3.29Å; S52-Y55 WeakPolarHBondContact OG-CB 3.37Å; S52-Y55 PolarHBondContact OG-N 3.37Å; S52-I56 PolarHBondContact O-N 3.33Å
53E83.8Confident72.2Confident158 Ų158115.4 Ų115.474%0.73857%0.565SS**Hα-helixtrans-58.6-31.3176.6-175.2157.4-159.100111.5I56 R57E53-I56 PolarHBondContact O-N 3.04Å; E53-R57 WeakPolarHBondContact O-CB 3.32Å; E53-R57 PolarHBondContact O-N 3.49Å
54E83.6Confident74.1Confident128 Ų128115.1 Ų115.160%0.59856%0.562SS**Hα-helixtrans-61.7-49.7170.2-174.7175.5-163.300112.8S52 I56 R57 I58S52-E54 PolarHBondContact O-N 2.97Å; E54-I56 VanDerWaalsContact C-N 3.3Å; E54-I56 PolarHBondContact O-N 3.09Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.11Å; E54-I58 HydrophobicContact CG-CD1 3.96Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.83Å
55Y81.2Confident75.8Confident96 Ų96116 Ų11638%0.37656%0.56SS.*Hα-helixtrans-59.8-41.7177.2179.1-89.9000111.6R51 S52 R57 I58 Q59R51-Y55 HydrophobicContact CB-CD1 3.97Å; R51-Y55 HydrophobicContact CG-CD1 3.88Å; R51-Y55 HydrophobicContact CG-CE1 4.11Å; S52-Y55 PolarHBondContact O-N 3.43Å; S52-Y55 VanDerWaalsContact OG-CB 3.29Å; S52-Y55 WeakPolarHBondContact OG-CB 3.37Å; S52-Y55 PolarHBondContact OG-N 3.37Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.85Å; Y55-I58 PolarHBondContact O-N 2.87Å; Y55-Q59 HydrophobicContact CD1-CG 4.05Å; Y55-Q59 HydrophobicContact CE1-CG 3.6Å; Y55-Q59 HydrophobicContact CE2-CG 4.36Å; Y55-Q59 WeakPolarHBondContact O-CB 3.33Å; Y55-Q59 WeakPolarHBondContact O-CG 3.25Å; Y55-Q59 PolarHBondContact O-N 2.96Å
56I83.2Confident77.4Confident66 Ų66115 Ų11534%0.33855%0.546SS..Hα-helixtrans-62.1-42.2176.4-64.7171.5000110.6R51 S52 E53 E54 Q59 R60R51-I56 HydrophobicContact CB-CD1 4.24Å; R51-I56 HydrophobicContact CB-CG1 3.99Å; S52-I56 PolarHBondContact O-N 3.33Å; E53-I56 PolarHBondContact O-N 3.04Å; E54-I56 VanDerWaalsContact C-N 3.3Å; E54-I56 PolarHBondContact O-N 3.09Å; I56-Q59 PolarHBondContact O-N 3.48Å; I56-R60 WeakPolarHBondContact O-CG 3.4Å; I56-R60 PolarHBondContact O-N 3.28Å
57R84.1Confident79Confident168 Ų168115.2 Ų115.263%0.63454%0.54SS*.Hα-helixtrans-63.4-45.4177.9-164.4-170-41.3-177.97.5111.9E53 E54 Y55 R60 S61E53-R57 WeakPolarHBondContact O-CB 3.32Å; E53-R57 PolarHBondContact O-N 3.49Å; E54-R57 WeakPolarHBondContact O-CB 3.4Å; E54-R57 PolarHBondContact O-N 2.69Å; E54-R57 VanDerWaalsContact O-N 3.11Å; Y55-R57 VanDerWaalsContact C-N 3.32Å; Y55-R57 PolarHBondContact O-N 2.85Å; R57-R60 PolarHBondContact O-N 3.17Å; R57-S61 PolarHBondContact O-N 3.2Å; R57-S61 PolarHBondContact O-OG 2.95Å
58I84.2Confident80.5Confident55 Ų55116 Ų11628%0.28253%0.534SS..Hα-helixtrans-61.8-45.9177.5-68.1167.3000110.7E54 Y55 R60 S61 Q62E54-I58 HydrophobicContact CG-CD1 3.96Å; E54-I58 WeakPolarHBondContact O-CG1 3.35Å; E54-I58 PolarHBondContact O-N 2.83Å; Y55-I58 PolarHBondContact O-N 2.87Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 2.9Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-OG 3.33Å; I58-Q62 HydrophobicContact CG2-CG 4.31Å; I58-Q62 VanDerWaalsContact CG2-NE2 3.28Å; I58-Q62 WeakPolarHBondContact O-CB 3.31Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.36Å
59Q83.2Confident81.5Confident86 Ų86111.2 Ų111.240%0.40251%0.508SS..Hα-helixtrans-62.4-38.5177.6-75.2-71.4-47.600112.1Y55 I56 K63Y55-Q59 HydrophobicContact CD1-CG 4.05Å; Y55-Q59 HydrophobicContact CE1-CG 3.6Å; Y55-Q59 HydrophobicContact CE2-CG 4.36Å; Y55-Q59 WeakPolarHBondContact O-CB 3.33Å; Y55-Q59 WeakPolarHBondContact O-CG 3.25Å; Y55-Q59 PolarHBondContact O-N 2.96Å; I56-Q59 PolarHBondContact O-N 3.48Å; Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 PolarHBondContact O-N 3.08Å; Q59-K63 VanDerWaalsContact O-N 3.08Å
60R87.8Confident82.6Confident177 Ų177107.7 Ų107.767%0.66849%0.485SS*.Hα-helixtrans-66.1-46.7175.8-74.9177.7-179-176.21.4112.1I56 R57 I58 K63 I64I56-R60 WeakPolarHBondContact O-CG 3.4Å; I56-R60 PolarHBondContact O-N 3.28Å; R57-R60 PolarHBondContact O-N 3.17Å; I58-R60 VanDerWaalsContact C-N 3.3Å; I58-R60 PolarHBondContact O-N 2.9Å; R60-K63 PolarHBondContact O-N 3.41Å; R60-I64 WeakPolarHBondContact O-CG1 3.49Å; R60-I64 PolarHBondContact O-N 2.83Å; R60-I64 VanDerWaalsContact O-N 3.08Å
61S86.1Confident83.4Confident49 Ų49102.9 Ų102.934%0.34347%0.472SS..Hα-helixtrans-64.8-41.8179.461.90000111.8R57 I58 K63 I64 H65R57-S61 PolarHBondContact O-N 3.2Å; R57-S61 PolarHBondContact O-OG 2.95Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-OG 3.33Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.37Å; S61-I64 PolarHBondContact O-N 3.5Å; S61-H65 PolarHBondContact O-N 3.21Å
62Q85.3Confident84.1Confident52 Ų52102.4 Ų102.424%0.24348%0.475CS..Hα-helixtrans-58.5-43.5174.4-73.7173.8-4.700111.8I58 I64 H65 K66 H88I58-Q62 HydrophobicContact CG2-CG 4.31Å; I58-Q62 VanDerWaalsContact CG2-NE2 3.28Å; I58-Q62 WeakPolarHBondContact O-CB 3.31Å; I58-Q62 WeakPolarHBondContact O-CG 3.44Å; I58-Q62 PolarHBondContact O-N 3.36Å; Q62-I64 PolarHBondContact O-N 3.44Å; Q62-H65 PolarHBondContact O-N 3Å; Q62-K66 WeakPolarHBondContact O-CB 3.37Å; Q62-K66 PolarHBondContact O-N 2.95Å; Q62-H88 VanDerWaalsContact CD-ND1 3.34Å; Q62-H88 PolarHBondContact NE2-CE1 3.45Å; Q62-H88 VanDerWaalsContact NE2-CE1 3.3Å; Q62-H88 PolarHBondContact NE2-ND1 3.09Å
63K88Confident84.5Confident154 Ų154105.3 Ų105.367%0.6748%0.477SS*.Hα-helixtrans-61-44.7176.4-174.6178.4178.5-177.60112.1Q59 R60 S61 K66 Q67Q59-K63 WeakPolarHBondContact O-CB 3.36Å; Q59-K63 PolarHBondContact O-N 3.08Å; Q59-K63 VanDerWaalsContact O-N 3.08Å; R60-K63 PolarHBondContact O-N 3.41Å; S61-K63 VanDerWaalsContact C-N 3.32Å; S61-K63 PolarHBondContact O-N 3.37Å; K63-K66 PolarHBondContact O-N 2.9Å; K63-Q67 PolarHBondContact O-N 3.19Å
64I86.6Confident84.4Confident93 Ų9399.3 Ų99.348%0.47746%0.458SS..Hα-helixtrans-64.7-47.7179.1-66.7166000110.6R60 S61 Q62 K66 Q67 Q68R60-I64 WeakPolarHBondContact O-CG1 3.49Å; R60-I64 PolarHBondContact O-N 2.83Å; R60-I64 VanDerWaalsContact O-N 3.08Å; S61-I64 PolarHBondContact O-N 3.5Å; Q62-I64 PolarHBondContact O-N 3.44Å; I64-K66 VanDerWaalsContact C-N 3.34Å; I64-K66 PolarHBondContact O-N 3.15Å; I64-Q67 PolarHBondContact O-N 3.49Å; I64-Q68 WeakPolarHBondContact O-CG 3.28Å; I64-Q68 PolarHBondContact O-N 3.08Å
65H84.5Confident84.4Confident109 Ų109100.1 Ų100.151%0.50546%0.462SS..Hα-helixtrans-61.4-42178.3-70.2175000112S61 Q62 Q67 Q68 I69S61-H65 PolarHBondContact O-N 3.21Å; Q62-H65 PolarHBondContact O-N 3Å; H65-Q67 VanDerWaalsContact C-N 3.31Å; H65-Q67 PolarHBondContact O-N 2.65Å; H65-Q68 PolarHBondContact O-N 3.09Å; H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 2.9Å; H65-I69 PolarHBondContact O-N 3.29Å
66K83.3Confident84.5Confident93 Ų93103 Ų10340%0.40448%0.478SS..Hα-helixtrans-57.8-46.2174.8-178.9177.8-177.3158.20111.1Q62 K63 I64 Q68 I69 V70 E82Q62-K66 WeakPolarHBondContact O-CB 3.37Å; Q62-K66 PolarHBondContact O-N 2.95Å; K63-K66 PolarHBondContact O-N 2.9Å; I64-K66 VanDerWaalsContact C-N 3.34Å; I64-K66 PolarHBondContact O-N 3.15Å; K66-Q68 PolarHBondContact O-N 3.04Å; K66-I69 PolarHBondContact O-N 3.27Å; K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.37Å; K66-V70 PolarHBondContact O-N 3.5Å; K66-E82 WeakPolarHBondContact CD-OE1 3.2Å; K66-E82 WeakPolarHBondContact CE-OE1 3.5Å; K66-E82 IonicContact NZ-OE1 2.65Å; K66-E82 PolarHBondContact NZ-OE1 2.76Å; K66-E82 IonicContact NZ-OE2 2.85Å; K66-E82 PolarHBondContact NZ-OE2 3.1Å
67Q85.1Confident84.3Confident105 Ų105104.3 Ų104.349%0.49148%0.481SS..Hα-helixtrans-62.3-42.9178.9-174.4169.2-5.200111.8K63 I64 H65 I69 V70 E71K63-Q67 PolarHBondContact O-N 3.19Å; I64-Q67 PolarHBondContact O-N 3.49Å; H65-Q67 VanDerWaalsContact C-N 3.31Å; H65-Q67 PolarHBondContact O-N 2.65Å; Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.26Å; Q67-V70 PolarHBondContact O-N 3.4Å; Q67-E71 WeakPolarHBondContact CG-OE1 3.17Å; Q67-E71 PolarHBondContact NE2-OE1 3.46Å; Q67-E71 WeakPolarHBondContact O-CB 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 2.93Å
68Q84.8Confident84Confident107 Ų10796.5 Ų96.550%0.545%0.453SS..Hα-helixtrans-62.2-38.8175.4-70.9175.4-24.200112.9I64 H65 K66 K72I64-Q68 WeakPolarHBondContact O-CG 3.28Å; I64-Q68 PolarHBondContact O-N 3.08Å; H65-Q68 PolarHBondContact O-N 3.09Å; K66-Q68 PolarHBondContact O-N 3.04Å; Q68-K72 VanDerWaalsContact O-CB 3.29Å; Q68-K72 WeakPolarHBondContact O-CB 3.48Å; Q68-K72 PolarHBondContact O-N 2.75Å
69I80.3Confident83.8Confident58 Ų5899.2 Ų99.230%0.29747%0.466SS..Hα-helixtrans-65.6-44.3176-67.7165.7000110.2H65 K66 Q67 K72 Y73 F77 A78H65-I69 VanDerWaalsContact O-CG1 3.29Å; H65-I69 WeakPolarHBondContact O-CG1 2.9Å; H65-I69 PolarHBondContact O-N 3.29Å; K66-I69 PolarHBondContact O-N 3.27Å; Q67-I69 VanDerWaalsContact C-N 3.34Å; Q67-I69 PolarHBondContact O-N 3.26Å; I69-K72 PolarHBondContact O-N 3.49Å; I69-Y73 HydrophobicContact CG2-CD2 4.11Å; I69-Y73 PolarHBondContact O-N 3.48Å; I69-F77 HydrophobicContact CG2-CD1 4.11Å; I69-F77 HydrophobicContact CG2-CE1 4.4Å; I69-A78 HydrophobicContact CG2-CB 3.94Å
70V82.8Confident83.6Confident40 Ų4098 Ų9824%0.24247%0.465CS..Hα-helixtrans-61.7-45.2177.2170.40000111K66 Q67 K72 G74 E75 A78K66-V70 VanDerWaalsContact O-CG2 3.31Å; K66-V70 WeakPolarHBondContact O-CG2 3.37Å; K66-V70 PolarHBondContact O-N 3.5Å; Q67-V70 PolarHBondContact O-N 3.4Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 3.29Å; V70-G74 CarbonylContact O-C 3.43Å; V70-G74 WeakPolarHBondContact O-CA 3.37Å; V70-G74 PolarHBondContact O-N 3.42Å; V70-E75 HydrophobicContact CG1-CG 3.65Å; V70-A78 HydrophobicContact CG2-CB 3.45Å; V70-A78 VanDerWaalsContact CG2-CB 3.45Å
71E83.5Confident82.9Confident140 Ų14091.5 Ų91.565%0.65444%0.444SS*.Hα-helixtrans-63.2-39.4178-75171.5-168.800112.2Q67Q67-E71 WeakPolarHBondContact CG-OE1 3.17Å; Q67-E71 PolarHBondContact NE2-OE1 3.46Å; Q67-E71 WeakPolarHBondContact O-CB 3.31Å; Q67-E71 WeakPolarHBondContact O-CG 3.26Å; Q67-E71 PolarHBondContact O-N 2.93Å
72K86.7Confident82.2Confident153 Ų15393 Ų9367%0.66545%0.446SS*.Hα-helixtrans-82.5-37.7-175.3-171.8172.6-179.7-176.10114.2Q68 I69 V70Q68-K72 VanDerWaalsContact O-CB 3.29Å; Q68-K72 WeakPolarHBondContact O-CB 3.48Å; Q68-K72 PolarHBondContact O-N 2.75Å; I69-K72 PolarHBondContact O-N 3.49Å; V70-K72 VanDerWaalsContact C-N 3.34Å; V70-K72 PolarHBondContact O-N 3.29Å
73Y85.6Confident81.5Confident124 Ų12497.8 Ų97.849%0.48647%0.466SS..Hα-helixtrans-120.7-3.8-170.6-56.9-74.1000113.9I69 F77I69-Y73 HydrophobicContact CG2-CD2 4.11Å; I69-Y73 PolarHBondContact O-N 3.48Å; Y73-F77 HydrophobicContact CD1-CD1 4.47Å; Y73-F77 HydrophobicContact CD1-CE1 4.4Å; Y73-F77 AromaticContact CD2-CD1 3.91Å; Y73-F77 HydrophobicContact CD2-CD1 3.91Å; Y73-F77 AromaticContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CE2-CE1 4.37Å; Y73-F77 AromaticContact CG-CD1 3.67Å; Y73-F77 HydrophobicContact CG-CD1 3.67Å; Y73-F77 AromaticContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CG 4.29Å; Y73-F77 WeakPolarHBondContact O-CB 3.43Å
74G82.2Confident80.4Confident33 Ų3398.5 Ų98.534%0.3447%0.469SS..  trans82.8159.5-175.300000113.7V70 H76 F77 A78V70-G74 CarbonylContact O-C 3.43Å; V70-G74 WeakPolarHBondContact O-CA 3.37Å; V70-G74 PolarHBondContact O-N 3.42Å; G74-H76 VanDerWaalsContact C-N 3.31Å; G74-H76 PolarHBondContact O-N 3.15Å; G74-F77 PolarHBondContact O-N 2.67Å; G74-A78 PolarHBondContact O-N 2.76Å
75E84.9Confident79Confident145 Ų14598.2 Ų98.268%0.67847%0.468SS*.Hα-helixtrans-59.6-38.6-176.8-66.5-177.4168.100113.1V70 F77 A78 M79V70-E75 HydrophobicContact CG1-CG 3.65Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.41Å; E75-A78 PolarHBondContact O-N 2.92Å; E75-M79 PolarHBondContact O-N 2.85Å
76H82.2Confident77.4Confident155 Ų15598.7 Ų98.772%0.71848%0.475SS*.Hα-helixtrans-62.4-42.2-178.6-175.5-95.4000111.7G74 V80G74-H76 VanDerWaalsContact C-N 3.31Å; G74-H76 PolarHBondContact O-N 3.15Å; H76-V80 WeakPolarHBondContact O-CG2 3.49Å; H76-V80 PolarHBondContact O-N 3.49Å
77F79.1Confident75.7Confident94 Ų94102.8 Ų102.841%0.41249%0.489SS..Hα-helixtrans-66.3-45.1176-177.6-95.3000111.2I69 Y73 G74 E75 M79 V80 V81I69-F77 HydrophobicContact CG2-CD1 4.11Å; I69-F77 HydrophobicContact CG2-CE1 4.4Å; Y73-F77 HydrophobicContact CD1-CD1 4.47Å; Y73-F77 HydrophobicContact CD1-CE1 4.4Å; Y73-F77 AromaticContact CD2-CD1 3.91Å; Y73-F77 HydrophobicContact CD2-CD1 3.91Å; Y73-F77 AromaticContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CD2-CE1 3.83Å; Y73-F77 HydrophobicContact CE2-CE1 4.37Å; Y73-F77 AromaticContact CG-CD1 3.67Å; Y73-F77 HydrophobicContact CG-CD1 3.67Å; Y73-F77 AromaticContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CE1 3.83Å; Y73-F77 HydrophobicContact CG-CG 4.29Å; Y73-F77 WeakPolarHBondContact O-CB 3.43Å; G74-F77 PolarHBondContact O-N 2.67Å; E75-F77 VanDerWaalsContact C-N 3.34Å; E75-F77 PolarHBondContact O-N 3.41Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 2.56Å; F77-V80 PolarHBondContact O-N 2.97Å; F77-V80 VanDerWaalsContact O-N 3.14Å; F77-V81 HydrophobicContact CD1-CG2 3.95Å; F77-V81 HydrophobicContact CE1-CG2 3.55Å; F77-V81 HydrophobicContact CE2-CG2 4.41Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CG2 3.03Å; F77-V81 PolarHBondContact O-N 3.23Å
78A78Confident73.7Confident5 Ų5103.3 Ų103.34%0.04149%0.491CS..Hα-helixtrans-57.7-43.5178.300000112.2I69 V70 G74 E75 V80 V81 E82I69-A78 HydrophobicContact CG2-CB 3.94Å; V70-A78 HydrophobicContact CG2-CB 3.45Å; V70-A78 VanDerWaalsContact CG2-CB 3.45Å; G74-A78 PolarHBondContact O-N 2.76Å; E75-A78 PolarHBondContact O-N 2.92Å; A78-V80 PolarHBondContact O-N 3.35Å; A78-V81 PolarHBondContact O-N 3.25Å; A78-E82 WeakPolarHBondContact O-CG 3.45Å; A78-E82 PolarHBondContact O-N 3.19Å
79M80.2Confident71.7Confident111 Ų111105.3 Ų105.355%0.54751%0.505SS..Hα-helixtrans-63.8-37.2176.5-77.8-168.272.600113.4E75 F77 K83E75-M79 PolarHBondContact O-N 2.85Å; F77-M79 VanDerWaalsContact C-N 3.33Å; F77-M79 PolarHBondContact O-N 2.56Å; M79-K83 WeakPolarHBondContact O-CG 3.45Å; M79-K83 PolarHBondContact O-N 3.4Å; M79-K83 VanDerWaalsContact O-N 3.07Å
80V79.7Confident69.6Low62 Ų62110.2 Ų110.238%0.37652%0.524SS..Hα-helixtrans-68.3-40.6177.6172.50000110.6H76 F77 A78 K83 K84H76-V80 WeakPolarHBondContact O-CG2 3.49Å; H76-V80 PolarHBondContact O-N 3.49Å; F77-V80 PolarHBondContact O-N 2.97Å; F77-V80 VanDerWaalsContact O-N 3.14Å; A78-V80 PolarHBondContact O-N 3.35Å; V80-K83 PolarHBondContact O-N 3.21Å; V80-K84 PolarHBondContact O-N 3.42Å; V80-K84 VanDerWaalsContact O-N 3.14Å
81V73.1Confident67.6Low40 Ų40113.9 Ų113.924%0.24254%0.541CS..Hα-helixtrans-63.6-47174.8174.90000110.4F77 A78 K83 K84 D85F77-V81 HydrophobicContact CD1-CG2 3.95Å; F77-V81 HydrophobicContact CE1-CG2 3.55Å; F77-V81 HydrophobicContact CE2-CG2 4.41Å; F77-V81 HydrophobicContact CZ-CG2 3.81Å; F77-V81 WeakPolarHBondContact O-CG2 3.03Å; F77-V81 PolarHBondContact O-N 3.23Å; A78-V81 PolarHBondContact O-N 3.25Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.75Å; V81-K84 PolarHBondContact O-N 3.09Å; V81-K84 VanDerWaalsContact O-N 3.08Å; V81-D85 WeakPolarHBondContact CG1-OD2 3.34Å; V81-D85 WeakPolarHBondContact O-CB 3.31Å; V81-D85 PolarHBondContact O-N 3.33Å
82E70.5Confident65.3Low79 Ų79114.7 Ų114.737%0.36955%0.55SS..Hα-helixtrans-59.7-36.3177-75-168.6143.600113.3K66 A78K66-E82 WeakPolarHBondContact CD-OE1 3.2Å; K66-E82 WeakPolarHBondContact CE-OE1 3.5Å; K66-E82 IonicContact NZ-OE1 2.65Å; K66-E82 PolarHBondContact NZ-OE1 2.76Å; K66-E82 IonicContact NZ-OE2 2.85Å; K66-E82 PolarHBondContact NZ-OE2 3.1Å; A78-E82 WeakPolarHBondContact O-CG 3.45Å; A78-E82 PolarHBondContact O-N 3.19Å
83K71.1Confident63Low154 Ų154118 Ų11867%0.6757%0.574SS**Hα-helixtrans-69.2-33.1176-77.4-178.5-179.2-179.10113M79 V80 V81M79-K83 WeakPolarHBondContact O-CG 3.45Å; M79-K83 PolarHBondContact O-N 3.4Å; M79-K83 VanDerWaalsContact O-N 3.07Å; V80-K83 PolarHBondContact O-N 3.21Å; V81-K83 VanDerWaalsContact C-N 3.28Å; V81-K83 PolarHBondContact O-N 2.75Å
84K64.6Low61.8Low168 Ų168117.7 Ų117.773%0.7358%0.579SS**Hα-helixtrans-79.4-45.6177.6-79.1-175.7174.8-177.90111.4V80 V81 N86V80-K84 PolarHBondContact O-N 3.42Å; V80-K84 VanDerWaalsContact O-N 3.14Å; V81-K84 PolarHBondContact O-N 3.09Å; V81-K84 VanDerWaalsContact O-N 3.08Å; K84-N86 VanDerWaalsContact C-N 3.31Å; K84-N86 PolarHBondContact O-N 3.42Å; K84-N86 VanDerWaalsContact O-N 3.11Å
85D56.9Low60.8Low87 Ų87122.2 Ų122.247%0.46559%0.591SS.*  trans-89.966.2-177.1-67.3-25.5000111V81 Y87V81-D85 WeakPolarHBondContact CG1-OD2 3.34Å; V81-D85 WeakPolarHBondContact O-CB 3.31Å; V81-D85 PolarHBondContact O-N 3.33Å; D85-Y87 PolarHBondContact O-N 2.84Å
86N51.9Low59.4Low120 Ų120120.9 Ų120.964%0.64259%0.587SS**G310 helixtrans-61.733.3162.7-93.6-39.9000113.1K84K84-N86 VanDerWaalsContact C-N 3.31Å; K84-N86 PolarHBondContact O-N 3.42Å; K84-N86 VanDerWaalsContact O-N 3.11Å
87Y45.6Very low58.1Low178 Ų178118.9 Ų118.970%0.69858%0.579SS**G310 helixtrans-76.6-19178-101.5-84.7000113.5D85 L89 K90D85-Y87 PolarHBondContact O-N 2.84Å; Y87-L89 PolarHBondContact O-N 3.04Å; Y87-L89 VanDerWaalsContact O-N 3.16Å; Y87-K90 PolarHBondContact O-N 3.17Å
88H43.9Very low56.8Low116 Ų116120.4 Ų120.454%0.53759%0.589SS.*G310 helixtrans-68.8-11.3177.6-65.1-51.8000114Q62Q62-H88 VanDerWaalsContact CD-ND1 3.34Å; Q62-H88 PolarHBondContact NE2-CE1 3.45Å; Q62-H88 VanDerWaalsContact NE2-CE1 3.3Å; Q62-H88 PolarHBondContact NE2-ND1 3.09Å
89L42.4Very low55.4Low150 Ų150128.1 Ų128.179%0.78563%0.626SS**G310 helixtrans-104.56-179.8-104.2133.2000115Y87Y87-L89 PolarHBondContact O-N 3.04Å; Y87-L89 VanDerWaalsContact O-N 3.16Å
90K37.1Very low53.6Low160 Ų160129.4 Ų129.470%0.69663%0.632SS**SBendtrans-100.40.7176.5-115.6-179.1-178.3-178.40115.5Y87 N92Y87-K90 PolarHBondContact O-N 3.17Å; K90-N92 VanDerWaalsContact C-N 3.34Å; K90-N92 PolarHBondContact O-N 3.36Å
91I40.4Very low51.6Low118 Ų118134.5 Ų134.561%0.60565%0.651SS**THydrogen-bonded Turntrans-94.275.9165.8-49174000106.4
92N35.5Very low49.8Very low157 Ų157142.4 Ų142.484%0.8469%0.685SS**THydrogen-bonded Turntrans163.236161.6-81.8-6.8000111.2K90K90-N92 VanDerWaalsContact C-N 3.34Å; K90-N92 PolarHBondContact O-N 3.36Å
93N37.4Very low47.9Very low222 Ų222148.2 Ų148.2100%1.18771%0.714SS**  trans-112.90152.9-99.7-7.8000107.6

Retrieved 93 of 93 residues in 52.1 ms (Link to these results)