A0AA82MMS8_SCHMA Loading...

Putative mrg-binding protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82MMS8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 174 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M45.6Very low53.1Low242 Ų242159.1 Ų159.1100%1.19282%0.819SS**  046.50-82.1-171.3-108.900111.6
2L48.2Very low53.3Low175 Ų175158.7 Ų158.792%0.91681%0.806SS**  trans-137.829.1178.2-102.7140.3000111
3L49.1Very low53Low165 Ų165160.2 Ų160.286%0.86481%0.808SS**  trans-107.785.4167.5-79.795.7000107.5
4H53.9Low52.8Low184 Ų184161.1 Ų161.185%0.85280%0.799SS**  trans-179.391.3163.9-110.6-148.3000108.8
5T57.7Low52.4Low142 Ų142156.9 Ų156.987%0.87179%0.791SS**  trans179.442.9150.646.40000111.8R7T5-R7 PolarHBondContact O-N 3Å
6F55.7Low52.4Low176 Ų176152.8 Ų152.877%0.77278%0.779SS**  trans-85.980.6155.7-93.2-84.7000107.4C8F6-C8 PolarHBondContact O-N 3.21Å
7R56.3Low51.9Low210 Ų210152.8 Ų152.879%0.79278%0.777SS**  trans-80.196172-172.1167.4177.6121.1-4.2106.6T5 F9T5-R7 PolarHBondContact O-N 3Å; R7-F9 PolarHBondContact O-N 3.25Å
8C56.4Low51.9Low128 Ų128151.6 Ų151.687%0.86578%0.779SS**  trans-55.2107.9167.1-74.70000108.8F6F6-C8 PolarHBondContact O-N 3.21Å
9F52.1Low51.4Low124 Ų124149.9 Ų149.954%0.54477%0.771SS.*  trans-107.4121.7172.5-142.1-97.2000107.9R7 E84R7-F9 PolarHBondContact O-N 3.25Å; F9-E84 WeakPolarHBondContact CD1-OE1 3.38Å; F9-E84 WeakPolarHBondContact CE1-OE1 3.46Å
10G52.9Low50.8Low56 Ų56151.6 Ų151.658%0.57778%0.775SS**  trans60.977.9160.700000117.5K12G10-K12 PolarHBondContact O-N 3.15Å; G10-K12 VanDerWaalsContact O-N 3.15Å
11I55.7Low50.2Low148 Ų148149.5 Ų149.576%0.75978%0.781SS**  trans-67.4110.7154-61.6172.8000106.2Q13I11-Q13 PolarHBondContact O-N 3.15Å; I11-Q13 VanDerWaalsContact O-N 3.15Å
12K56.2Low50.1Low154 Ų154141.2 Ų141.267%0.6776%0.758SS**  trans-58.9117.7167.1-170.1170.5-179.2-178.60106.4G10 Y14G10-K12 PolarHBondContact O-N 3.15Å; G10-K12 VanDerWaalsContact O-N 3.15Å; K12-Y14 PolarHBondContact O-N 2.96Å
13Q49.4Very low50.2Low178 Ų178141.1 Ų141.183%0.83276%0.757SS**  trans-47.5111.7-179.7-79-77.4-8.100109.6I11 S15I11-Q13 PolarHBondContact O-N 3.15Å; I11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-S15 PolarHBondContact O-N 2.95Å
14Y50Low50.8Low173 Ų173139.2 Ų139.268%0.67875%0.748SS**  trans-71.5111.3173.9-175.1-101.8000107.4K12 P16K12-Y14 PolarHBondContact O-N 2.96Å; Y14-P16 HydrophobicContact CD1-CB 4.3Å; Y14-P16 HydrophobicContact CE1-CB 3.95Å; Y14-P16 WeakPolarHBondContact O-CD 3.34Å
15S47.3Very low51.9Low98 Ų98134.5 Ų134.569%0.68573%0.732SS**  trans-87.1111.2167.6-172.60000107.4Q13 M17Q13-S15 PolarHBondContact O-N 2.95Å; S15-M17 PolarHBondContact O-N 2.87Å
16P51.8Low53.2Low91 Ų91129.1 Ų129.159%0.59170%0.696SS**  trans-75.193.4175.830.2-31.5000108.7Y14Y14-P16 HydrophobicContact CD1-CB 4.3Å; Y14-P16 HydrophobicContact CE1-CB 3.95Å; Y14-P16 WeakPolarHBondContact O-CD 3.34Å
17M44.8Very low54.7Low153 Ų153125.9 Ų125.975%0.75469%0.686SS**  trans-86104.6155.5-72.4-160.391.600107.6S15 D19S15-M17 PolarHBondContact O-N 2.87Å; M17-D19 PolarHBondContact O-N 3.26Å
18V50.4Low56.2Low132 Ų132122 Ų12280%0.868%0.68SS**  trans-81.386172.3-168.10000107
19D42.7Very low57.9Low119 Ų119121.8 Ų121.864%0.63667%0.667SS**  trans-145.593.5170.1-78.1-42000108.4M17M17-D19 PolarHBondContact O-N 3.26Å
20Q40.4Very low59.7Low183 Ų183116 Ų11686%0.85564%0.641SS**  64.5114.1106.3-85.5-179.9-110.500116.8
21A37.1Very low61.6Low109 Ų109115.5 Ų115.590%0.90162%0.624SS**  trans76.460.8141.900000119.4
22G44Very low63.3Low68 Ų68112.2 Ų112.270%0.70161%0.608SS**SBendtrans-156.391.515900000112.3D24G22-D24 PolarHBondContact O-N 2.8Å
23L50.1Low65Low173 Ų173105.9 Ų105.991%0.90658%0.58SS**  trans24.865164.8-68.2165.2000114.6V25L23-V25 PolarHBondContact O-N 3.16Å
24D62.6Low67.1Low124 Ų12497.4 Ų97.466%0.66354%0.541SS*.  trans-73.2107.4177.2-1572.2000107.4G22 W26G22-D24 PolarHBondContact O-N 2.8Å; D24-W26 PolarHBondContact O-N 3.03Å; D24-W26 VanDerWaalsContact O-N 3.11Å
25V76.3Confident69.2Low85 Ų8592.4 Ų92.452%0.51552%0.523SS..  trans-61.4-15.4176.6177.90000110.4L23 I67L23-V25 PolarHBondContact O-N 3.16Å; V25-I67 HydrophobicContact CG1-CG1 4.42Å
26W84.4Confident71.4Confident30 Ų3092.3 Ų92.311%0.11451%0.511CS..  trans-95.2112.1-176.6-63.695.2000112.4D24 L34 I67 D71 I72 K75D24-W26 PolarHBondContact O-N 3.03Å; D24-W26 VanDerWaalsContact O-N 3.11Å; W26-L34 HydrophobicContact CH2-CD2 3.96Å; W26-L34 HydrophobicContact CZ3-CB 4.3Å; W26-L34 HydrophobicContact CZ3-CD2 3.93Å; W26-I67 HydrophobicContact CE3-CD1 4.11Å; W26-I67 HydrophobicContact CH2-CD1 4.19Å; W26-I67 HydrophobicContact CH2-CG2 4.07Å; W26-I67 HydrophobicContact CZ2-CG2 4.06Å; W26-I67 HydrophobicContact CZ3-CD1 3.86Å; W26-D71 WeakPolarHBondContact CZ2-O 2.96Å; W26-I72 HydrophobicContact CH2-CB 4.46Å; W26-I72 HydrophobicContact CH2-CG1 4Å; W26-I72 HydrophobicContact CZ2-CG1 4.45Å; W26-K75 HydrophobicContact CD2-CB 4.43Å; W26-K75 HydrophobicContact CD2-CD 4.14Å; W26-K75 HydrophobicContact CD2-CG 4.03Å; W26-K75 HydrophobicContact CE3-CG 4.42Å; W26-K75 HydrophobicContact CG-CD 4.18Å; W26-K75 HydrophobicContact CH2-CB 4.07Å; W26-K75 HydrophobicContact CH2-CG 4.16Å; W26-K75 HydrophobicContact CZ2-CB 3.37Å; W26-K75 HydrophobicContact CZ2-CG 3.76Å; W26-K75 HydrophobicContact CZ3-CG 4.48Å
27N86.8Confident73.5Confident107 Ų10788 Ų8857%0.57248%0.483SS*.  trans-86.4154.7163.5-168.1-2000110E29 S30 E31N27-E29 PolarHBondContact O-N 3.04Å; N27-S30 PolarHBondContact N-OG 3.4Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.43Å; N27-S30 PolarHBondContact O-OG 3.21Å; N27-E31 PolarHBondContact O-N 3.35Å
28L89.8Confident75.8Confident128 Ų12881.8 Ų81.867%0.6745%0.453SS*.Hα-helixtrans-50.9-42.4174.6-75.4159.4000111.6S30 E31 I32L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.09Å; L28-E31 PolarHBondContact O-N 3.01Å; L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.36Å
29E90.4Very high77.8Confident125 Ų12581.5 Ų81.558%0.58445%0.446SS*.Hα-helixtrans-61.5-41.1178.2-145.369-176.600112.3N27 E31 Q33N27-E29 PolarHBondContact O-N 3.04Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E29-Q33 WeakPolarHBondContact O-CB 3.11Å; E29-Q33 PolarHBondContact O-N 3.39Å
30S90.8Very high80.1Confident1 Ų181.8 Ų81.81%0.00745%0.447CS..Hα-helixtrans-68.9-33.4178.269.80000112.5N27 L28 Q33 L34 V63N27-S30 PolarHBondContact N-OG 3.4Å; N27-S30 WeakPolarHBondContact O-CB 3.31Å; N27-S30 PolarHBondContact O-N 3.43Å; N27-S30 PolarHBondContact O-OG 3.21Å; L28-S30 VanDerWaalsContact C-N 3.33Å; L28-S30 PolarHBondContact O-N 3.09Å; S30-Q33 PolarHBondContact O-N 2.91Å; S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.11Å; S30-V63 VanDerWaalsContact CB-CG2 3.46Å
31E91.7Very high82.6Confident47 Ų4775.4 Ų75.422%0.2242%0.417CS..Hα-helixtrans-75.3-41.5178.6-179.1161-139.600111.7N27 L28 E29 Q33 L34 F35 K75N27-E31 PolarHBondContact O-N 3.35Å; L28-E31 PolarHBondContact O-N 3.01Å; E29-E31 VanDerWaalsContact C-N 3.34Å; E31-Q33 VanDerWaalsContact C-N 3.26Å; E31-Q33 PolarHBondContact O-N 3.31Å; E31-L34 WeakPolarHBondContact O-CB 3.15Å; E31-L34 PolarHBondContact O-N 2.87Å; E31-F35 HydrophobicContact CG-CD2 4.06Å; E31-F35 HydrophobicContact CG-CE2 3.37Å; E31-F35 HydrophobicContact CG-CZ 3.84Å; E31-F35 WeakPolarHBondContact O-CD2 3.34Å; E31-F35 WeakPolarHBondContact O-CG 3.46Å; E31-F35 PolarHBondContact O-N 3.02Å; E31-K75 WeakPolarHBondContact OE1-CE 3.03Å; E31-K75 IonicContact OE1-NZ 3.24Å; E31-K75 PolarHBondContact OE1-NZ 3.49Å; E31-K75 IonicContact OE2-NZ 2.8Å
32I92.4Very high85.2Confident79 Ų7974 Ų7441%0.40539%0.391SS..Hα-helixtrans-56.5-45.9170.2-67.5164.1000109.8L28 L34 F35 H36L28-I32 VanDerWaalsContact O-CG1 3.3Å; L28-I32 WeakPolarHBondContact O-CG1 3.44Å; L28-I32 PolarHBondContact O-N 3.36Å; I32-L34 VanDerWaalsContact C-N 3.35Å; I32-L34 PolarHBondContact O-N 3.14Å; I32-F35 PolarHBondContact O-N 3.45Å; I32-H36 PolarHBondContact O-N 2.79Å
33Q92.7Very high87.4Confident20 Ų2071.3 Ų71.39%0.09336%0.361CS..Hα-helixtrans-66.5-37.1179.9-170.458.517.800112.8E29 S30 E31 F35 H36 A37 L58 F62E29-Q33 WeakPolarHBondContact O-CB 3.11Å; E29-Q33 PolarHBondContact O-N 3.39Å; S30-Q33 PolarHBondContact O-N 2.91Å; E31-Q33 VanDerWaalsContact C-N 3.26Å; E31-Q33 PolarHBondContact O-N 3.31Å; Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 2.61Å; Q33-H36 PolarHBondContact O-N 2.92Å; Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.5Å; Q33-L58 VanDerWaalsContact CG-O 3.23Å; Q33-L58 WeakPolarHBondContact CG-O 3.5Å; Q33-L58 VanDerWaalsContact NE2-CD1 3.34Å; Q33-L58 VanDerWaalsContact NE2-CG 3.34Å; Q33-L58 PolarHBondContact NE2-O 3.17Å; Q33-F62 HydrophobicContact CG-CB 4.28Å; Q33-F62 HydrophobicContact CG-CD2 3.73Å; Q33-F62 HydrophobicContact CG-CG 4.3Å
34L93.5Very high89.4Confident0 Ų063.4 Ų63.40%032%0.32CS..Hα-helixtrans-58-46171.7177.363.3000110.9W26 S30 E31 I32 A37 I38 V55 V59 I72 K75 L76W26-L34 HydrophobicContact CH2-CD2 3.96Å; W26-L34 HydrophobicContact CZ3-CB 4.3Å; W26-L34 HydrophobicContact CZ3-CD2 3.93Å; S30-L34 WeakPolarHBondContact O-CB 3.39Å; S30-L34 PolarHBondContact O-N 3.11Å; E31-L34 WeakPolarHBondContact O-CB 3.15Å; E31-L34 PolarHBondContact O-N 2.87Å; I32-L34 VanDerWaalsContact C-N 3.35Å; I32-L34 PolarHBondContact O-N 3.14Å; L34-A37 PolarHBondContact O-N 3.38Å; L34-I38 HydrophobicContact CD1-CG2 4.15Å; L34-I38 WeakPolarHBondContact O-CG2 3.45Å; L34-I38 PolarHBondContact O-N 3.19Å; L34-V55 HydrophobicContact CD1-CG1 3.78Å; L34-V59 HydrophobicContact CB-CG2 4.16Å; L34-V59 HydrophobicContact CD1-CG2 4.16Å; L34-I72 HydrophobicContact CD1-CG2 3.74Å; L34-K75 HydrophobicContact CD2-CG 3.86Å; L34-L76 HydrophobicContact CD1-CD2 4.34Å; L34-L76 HydrophobicContact CD2-CD2 4.27Å; L34-L76 HydrophobicContact CG-CD2 4.46Å
35F93.6Very high90.7Very high69 Ų6957.6 Ų57.630%0.30329%0.29SS..Hα-helixtrans-64.3-40.7178.5-64.8-47.2000112.6E31 I32 Q33 A37 I38 L39 L79 Y80E31-F35 HydrophobicContact CG-CD2 4.06Å; E31-F35 HydrophobicContact CG-CE2 3.37Å; E31-F35 HydrophobicContact CG-CZ 3.84Å; E31-F35 WeakPolarHBondContact O-CD2 3.34Å; E31-F35 WeakPolarHBondContact O-CG 3.46Å; E31-F35 PolarHBondContact O-N 3.02Å; I32-F35 PolarHBondContact O-N 3.45Å; Q33-F35 VanDerWaalsContact C-N 3.32Å; Q33-F35 PolarHBondContact O-N 2.61Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 2.97Å; F35-I38 HydrophobicContact CD1-CD1 3.92Å; F35-I38 WeakPolarHBondContact O-CG1 3.11Å; F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.41Å; F35-L39 PolarHBondContact O-N 3Å; F35-L79 HydrophobicContact CE1-CD1 3.87Å; F35-L79 HydrophobicContact CZ-CD1 3.9Å; F35-Y80 HydrophobicContact CE1-CE2 4.48Å
36H93.7Very high91.2Very high96 Ų9657.2 Ų57.244%0.44430%0.296SS..Hα-helixtrans-62.6-37.2172.6-67.5165.5000112.7I32 Q33 N40I32-H36 PolarHBondContact O-N 2.79Å; Q33-H36 PolarHBondContact O-N 2.92Å; H36-N40 PolarHBondContact O-ND2 2.96Å
37A94.3Very high91.6Very high0 Ų058.8 Ų58.80%031%0.306CS..Hα-helixtrans-68.5-46.3179.900000112.3Q33 L34 F35 L39 N40 H41 V55 L58 V59Q33-A37 WeakPolarHBondContact O-CB 3.37Å; Q33-A37 PolarHBondContact O-N 3.5Å; L34-A37 PolarHBondContact O-N 3.38Å; F35-A37 VanDerWaalsContact C-N 3.29Å; F35-A37 PolarHBondContact O-N 2.97Å; A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.19Å; A37-N40 PolarHBondContact O-N 3.04Å; A37-N40 VanDerWaalsContact O-N 3.16Å; A37-H41 PolarHBondContact O-N 3.47Å; A37-V55 HydrophobicContact CB-CB 4.4Å; A37-V55 HydrophobicContact CB-CG1 4Å; A37-V55 HydrophobicContact CB-CG2 4.39Å; A37-L58 HydrophobicContact CB-CB 4.12Å; A37-L58 HydrophobicContact CB-CD2 3.64Å; A37-L58 HydrophobicContact CB-CG 3.98Å; A37-V59 HydrophobicContact CB-CG2 4.44Å
38I93.7Very high91.8Very high23 Ų2357.8 Ų57.812%0.11829%0.294CS..Hα-helixtrans-69.8-22.1-178.466.2176.5000113.7L34 F35 N40 H41 P43 V55 L76 Y80L34-I38 HydrophobicContact CD1-CG2 4.15Å; L34-I38 WeakPolarHBondContact O-CG2 3.45Å; L34-I38 PolarHBondContact O-N 3.19Å; F35-I38 HydrophobicContact CD1-CD1 3.92Å; F35-I38 WeakPolarHBondContact O-CG1 3.11Å; I38-N40 VanDerWaalsContact C-N 3.28Å; I38-H41 WeakPolarHBondContact CA-O 3.48Å; I38-P43 HydrophobicContact CG2-CG 4.1Å; I38-V55 HydrophobicContact CG2-CG1 4.37Å; I38-V55 HydrophobicContact CG2-CG2 4.45Å; I38-L76 HydrophobicContact CD1-CD2 4.45Å; I38-L76 HydrophobicContact CG2-CD2 4.01Å; I38-Y80 HydrophobicContact CD1-CE2 3.88Å
39L92.1Very high92.1Very high125 Ų12556.9 Ų56.965%0.65429%0.287SS*.Hα-helixtrans-65.8-33.7173.3-74.6171.6000111.9F35 A37F35-L39 VanDerWaalsContact O-CG 3.27Å; F35-L39 WeakPolarHBondContact O-CG 3.41Å; F35-L39 PolarHBondContact O-N 3Å; A37-L39 VanDerWaalsContact C-N 3.26Å; A37-L39 PolarHBondContact O-N 3.19Å
40N91.5Very high92.3Very high125 Ų12557.6 Ų57.667%0.66829%0.288SS*.Hα-helixtrans-95.7-35.2-179.2-64.7-63.8000112.5H36 A37 I38H36-N40 PolarHBondContact O-ND2 2.96Å; A37-N40 PolarHBondContact O-N 3.04Å; A37-N40 VanDerWaalsContact O-N 3.16Å; I38-N40 VanDerWaalsContact C-N 3.28Å
41H93.3Very high92.4Very high49 Ų4959.5 Ų59.523%0.22730%0.297CS..SBendtrans-120.5104.1-177.2-67-70.9000110.1A37 I38 P43 Q51 Y54 V55A37-H41 PolarHBondContact O-N 3.47Å; I38-H41 WeakPolarHBondContact CA-O 3.48Å; H41-P43 VanDerWaalsContact O-CD 3.25Å; H41-P43 WeakPolarHBondContact O-CD 3.31Å; H41-Q51 PolarHBondContact ND1-OE1 3.43Å; H41-Q51 VanDerWaalsContact ND1-OE1 3.08Å; H41-Y54 AromaticContact CE1-CG 3.69Å; H41-Y54 AromaticContact ND1-CG 3.85Å; H41-V55 HydrophobicContact CB-CG2 3.7Å
42K91Very high92.6Very high79 Ų7957.3 Ų57.334%0.34329%0.287SS..  trans-76.4115.4-175.4-155.8177.969.2-167.50109.9V44 Q51 E89K42-V44 HydrophobicContact CD-CG2 3.83Å; K42-V44 HydrophobicContact CG-CG2 3.63Å; K42-V44 PolarHBondContact O-N 3.39Å; K42-Q51 WeakPolarHBondContact O-CB 3.3Å; K42-Q51 WeakPolarHBondContact O-CG 3.37Å; K42-E89 WeakPolarHBondContact CE-OE1 3.4Å; K42-E89 WeakPolarHBondContact CE-OE2 3.42Å; K42-E89 IonicContact NZ-OE1 2.7Å; K42-E89 PolarHBondContact NZ-OE1 3.44Å; K42-E89 IonicContact NZ-OE2 2.73Å; K42-E89 PolarHBondContact NZ-OE2 3.34Å
43P91.1Very high92.7Very high12 Ų1258.5 Ų58.58%0.07829%0.293CS..SBendtrans-78.428.1-174.133.5-36.4000113.7I38 H41 M52 W73 L76 M82I38-P43 HydrophobicContact CG2-CG 4.1Å; H41-P43 VanDerWaalsContact O-CD 3.25Å; H41-P43 WeakPolarHBondContact O-CD 3.31Å; P43-M52 HydrophobicContact CB-CE 3.77Å; P43-W73 WeakPolarHBondContact O-CH2 3.34Å; P43-L76 HydrophobicContact CB-CD1 3.98Å; P43-L76 HydrophobicContact CG-CD1 3.89Å; P43-M82 HydrophobicContact CB-CE 4.2Å; P43-M82 HydrophobicContact CG-CE 4.1Å; P43-M82 WeakPolarHBondContact O-CE 3.45Å
44V91.3Very high92.8Very high7 Ų763.7 Ų63.74%0.04231%0.312CS..  trans-132.5175.5-178.8-70.20000110.3K42 M82 L85 E89K42-V44 HydrophobicContact CD-CG2 3.83Å; K42-V44 HydrophobicContact CG-CG2 3.63Å; K42-V44 PolarHBondContact O-N 3.39Å; V44-M82 HydrophobicContact CG1-CE 3.64Å; V44-M82 HydrophobicContact CG1-SD 4.35Å; V44-L85 HydrophobicContact CB-CB 4.39Å; V44-L85 HydrophobicContact CG1-CB 3.74Å; V44-L85 HydrophobicContact CG2-CB 4.26Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.43Å; V44-E89 VanDerWaalsContact O-OE2 3.1Å
45G89.8Confident92.8Very high3 Ų363.7 Ų63.73%0.03131%0.312CS..SBendtrans91.5-167.1-179.700000116.2D47 H86 E89G45-D47 VanDerWaalsContact C-N 3.31Å; G45-D47 PolarHBondContact O-N 3.04Å; G45-H86 PolarHBondContact N-ND1 3.37Å; G45-H86 PolarHBondContact O-CE1 3.27Å; G45-H86 VanDerWaalsContact O-CE1 3.23Å; G45-H86 PolarHBondContact O-ND1 3.11Å; G45-E89 WeakPolarHBondContact CA-OE2 3.38Å; G45-E89 PolarHBondContact N-OE2 3.5Å
46A88.3Confident92.8Very high77 Ų7761.2 Ų61.264%0.63630%0.303SS*.THydrogen-bonded Turntrans-67.6-32.3-176.800000112.2
47D91Very high92.9Very high63 Ų6362 Ų6234%0.33731%0.311SS..THydrogen-bonded Turntrans-104.118.1-177.964.9-36000113.2G45 H49 F50 Q51G45-D47 VanDerWaalsContact C-N 3.31Å; G45-D47 PolarHBondContact O-N 3.04Å; D47-H49 PolarHBondContact O-N 3.22Å; D47-F50 HydrophobicContact CB-CD2 4.21Å; D47-F50 WeakPolarHBondContact O-CA 3.35Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 2.94Å; D47-Q51 PolarHBondContact O-N 3.22Å; D47-Q51 WeakPolarHBondContact OD2-CG 3.4Å; D47-Q51 PolarHBondContact OD2-NE2 2.85Å
48R92.6Very high92.8Very high85 Ų8564.2 Ų64.232%0.32132%0.323SS..Hα-helixtrans-48.9-36.8-175.970.8-178.7178.1-84.55.7114.8M52 W73R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.25Å; R48-M52 PolarHBondContact O-N 3.01Å; R48-W73 HydrophobicContact CB-CH2 4.25Å; R48-W73 HydrophobicContact CG-CH2 4.31Å
49H95.2Very high92.8Very high109 Ų10963.1 Ų63.151%0.50532%0.317SS..Hα-helixtrans-71-36-179.8-63.2-55000112D47 I53D47-H49 PolarHBondContact O-N 3.22Å; H49-I53 WeakPolarHBondContact O-CG1 3.5Å; H49-I53 PolarHBondContact O-N 3.41Å
50F94Very high92.8Very high141 Ų14159.4 Ų59.462%0.61830%0.298SS*.Hα-helixtrans-71.8-43.3174.6-63.5-69.2000111D47 M52 I53 Y54D47-F50 HydrophobicContact CB-CD2 4.21Å; D47-F50 WeakPolarHBondContact O-CA 3.35Å; D47-F50 WeakPolarHBondContact O-CB 3.47Å; D47-F50 PolarHBondContact O-N 2.94Å; F50-M52 PolarHBondContact O-N 3.02Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 WeakPolarHBondContact O-CB 3.41Å; F50-I53 PolarHBondContact O-N 3.24Å; F50-I53 VanDerWaalsContact O-N 3.11Å; F50-Y54 WeakPolarHBondContact O-CD2 3.32Å; F50-Y54 PolarHBondContact O-N 3.22Å
51Q94.1Very high92.7Very high40 Ų4056.9 Ų56.919%0.18729%0.29CS..Hα-helixtrans-59-39.4174.5-63-61.1-17.400111.3H41 K42 D47 I53 Y54 V55H41-Q51 PolarHBondContact ND1-OE1 3.43Å; H41-Q51 VanDerWaalsContact ND1-OE1 3.08Å; K42-Q51 WeakPolarHBondContact O-CB 3.3Å; K42-Q51 WeakPolarHBondContact O-CG 3.37Å; D47-Q51 PolarHBondContact O-N 3.22Å; D47-Q51 WeakPolarHBondContact OD2-CG 3.4Å; D47-Q51 PolarHBondContact OD2-NE2 2.85Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.4Å; Q51-Y54 WeakPolarHBondContact O-CB 3.35Å; Q51-Y54 PolarHBondContact O-N 3.01Å; Q51-Y54 VanDerWaalsContact O-N 3.13Å; Q51-V55 WeakPolarHBondContact O-CG2 3.38Å; Q51-V55 PolarHBondContact O-N 2.99Å
52M94.7Very high92.2Very high1 Ų161 Ų611%0.00531%0.307CS..Hα-helixtrans-63.2-34.6176.4-175.155.266.300113.5P43 R48 F50 Y54 V55 C56 T69 I72 W73 L76P43-M52 HydrophobicContact CB-CE 3.77Å; R48-M52 VanDerWaalsContact O-CB 3.28Å; R48-M52 WeakPolarHBondContact O-CB 3.25Å; R48-M52 PolarHBondContact O-N 3.01Å; F50-M52 PolarHBondContact O-N 3.02Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.4Å; M52-V55 PolarHBondContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CB 4.22Å; M52-V55 HydrophobicContact SD-CG1 4.35Å; M52-C56 VanDerWaalsContact O-CB 3.24Å; M52-C56 WeakPolarHBondContact O-CB 3.36Å; M52-C56 PolarHBondContact O-N 3.34Å; M52-T69 HydrophobicContact CG-CG2 3.4Å; M52-T69 HydrophobicContact SD-CG2 4.3Å; M52-I72 HydrophobicContact CE-CG2 4.12Å; M52-I72 HydrophobicContact SD-CB 4.15Å; M52-I72 HydrophobicContact SD-CG2 3.65Å; M52-W73 HydrophobicContact CB-CH2 4.45Å; M52-W73 HydrophobicContact CB-CZ2 3.66Å; M52-W73 HydrophobicContact CE-CD2 3.52Å; M52-W73 VanDerWaalsContact CE-CE2 3.41Å; M52-W73 HydrophobicContact CE-CE3 3.71Å; M52-W73 HydrophobicContact CE-CG 4.2Å; M52-W73 HydrophobicContact CE-CH2 3.66Å; M52-W73 HydrophobicContact CE-CZ2 3.49Å; M52-W73 VanDerWaalsContact CE-CZ2 3.49Å; M52-W73 HydrophobicContact CE-CZ3 3.79Å; M52-W73 HydrophobicContact CG-CZ2 3.73Å; M52-W73 HydrophobicContact SD-CZ2 4.44Å; M52-L76 HydrophobicContact CE-CD1 3.6Å
53I94.7Very high91.8Very high104 Ų10458.6 Ų58.653%0.53330%0.299SS..Hα-helixtrans-61.1-42.8174.6-66.3165000110H49 F50 Q51 C56 N57H49-I53 WeakPolarHBondContact O-CG1 3.5Å; H49-I53 PolarHBondContact O-N 3.41Å; F50-I53 HydrophobicContact CD1-CD1 4.45Å; F50-I53 WeakPolarHBondContact O-CB 3.41Å; F50-I53 PolarHBondContact O-N 3.24Å; F50-I53 VanDerWaalsContact O-N 3.11Å; Q51-I53 VanDerWaalsContact C-N 3.32Å; Q51-I53 PolarHBondContact O-N 3.4Å; I53-C56 PolarHBondContact O-N 3.26Å; I53-N57 WeakPolarHBondContact O-CB 3.48Å; I53-N57 PolarHBondContact O-N 3.04Å
54Y94.7Very high91.3Very high130 Ų13063.2 Ų63.251%0.5133%0.331SS..Hα-helixtrans-64.9-44.8176.1-67.8-70.8000112.3H41 F50 Q51 M52 C56 N57 L58H41-Y54 AromaticContact CE1-CG 3.69Å; H41-Y54 AromaticContact ND1-CG 3.85Å; F50-Y54 WeakPolarHBondContact O-CD2 3.32Å; F50-Y54 PolarHBondContact O-N 3.22Å; Q51-Y54 WeakPolarHBondContact O-CB 3.35Å; Q51-Y54 PolarHBondContact O-N 3.01Å; Q51-Y54 VanDerWaalsContact O-N 3.13Å; M52-Y54 VanDerWaalsContact C-N 3.28Å; M52-Y54 PolarHBondContact O-N 3.4Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; Y54-C56 PolarHBondContact O-N 3.49Å; Y54-N57 PolarHBondContact O-N 2.9Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.46Å
55V94.7Very high91Very high0 Ų068.2 Ų68.20%036%0.358CS..Hα-helixtrans-58.2-48.6175.91740000110.7L34 A37 I38 H41 Q51 M52 N57 L58 V59 I72L34-V55 HydrophobicContact CD1-CG1 3.78Å; A37-V55 HydrophobicContact CB-CB 4.4Å; A37-V55 HydrophobicContact CB-CG1 4Å; A37-V55 HydrophobicContact CB-CG2 4.39Å; I38-V55 HydrophobicContact CG2-CG1 4.37Å; I38-V55 HydrophobicContact CG2-CG2 4.45Å; H41-V55 HydrophobicContact CB-CG2 3.7Å; Q51-V55 WeakPolarHBondContact O-CG2 3.38Å; Q51-V55 PolarHBondContact O-N 2.99Å; M52-V55 PolarHBondContact O-N 3.14Å; M52-V55 HydrophobicContact SD-CB 4.22Å; M52-V55 HydrophobicContact SD-CG1 4.35Å; V55-N57 PolarHBondContact O-N 3.4Å; V55-L58 PolarHBondContact O-N 3.31Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.23Å; V55-V59 PolarHBondContact O-N 3.04Å; V55-I72 HydrophobicContact CG1-CG2 4.08Å
56C94Very high90.9Very high16 Ų1673.6 Ų73.611%0.10839%0.392CS..Hα-helixtrans-58.8-46.2178.8-175.90000112.3M52 I53 Y54 L58 V59 N60 T69 I72M52-C56 VanDerWaalsContact O-CB 3.24Å; M52-C56 WeakPolarHBondContact O-CB 3.36Å; M52-C56 PolarHBondContact O-N 3.34Å; I53-C56 PolarHBondContact O-N 3.26Å; Y54-C56 VanDerWaalsContact C-N 3.35Å; Y54-C56 PolarHBondContact O-N 3.49Å; C56-L58 VanDerWaalsContact C-N 3.33Å; C56-L58 PolarHBondContact O-N 3.33Å; C56-V59 PolarHBondContact O-N 3.39Å; C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 3.47Å; C56-N60 PolarHBondContact O-ND2 3.34Å; C56-N60 VanDerWaalsContact O-ND2 3.17Å; C56-N60 PolarHBondContact SG-ND2 3.42Å; C56-N60 VanDerWaalsContact SG-ND2 3.4Å; C56-T69 PolarHBondContact SG-OG1 3.37Å; C56-I72 VanDerWaalsContact CA-CD1 3.49Å; C56-I72 HydrophobicContact CB-CD1 3.73Å
57N94.1Very high91Very high114 Ų11470.1 Ų70.161%0.6136%0.363SS*.Hα-helixtrans-62.4-41.3177.3-173.449.8000112.1I53 Y54 V55 N60 S61I53-N57 WeakPolarHBondContact O-CB 3.48Å; I53-N57 PolarHBondContact O-N 3.04Å; Y54-N57 PolarHBondContact O-N 2.9Å; V55-N57 PolarHBondContact O-N 3.4Å; N57-N60 PolarHBondContact O-N 2.91Å; N57-S61 PolarHBondContact O-N 2.98Å
58L93.1Very high91.1Very high46 Ų4669.8 Ų69.824%0.24137%0.366CS..Hα-helixtrans-73.9-28.6-177.5-17556.2000113.1Q33 A37 Y54 V55 C56 S61 F62Q33-L58 VanDerWaalsContact CG-O 3.23Å; Q33-L58 WeakPolarHBondContact CG-O 3.5Å; Q33-L58 VanDerWaalsContact NE2-CD1 3.34Å; Q33-L58 VanDerWaalsContact NE2-CG 3.34Å; Q33-L58 PolarHBondContact NE2-O 3.17Å; A37-L58 HydrophobicContact CB-CB 4.12Å; A37-L58 HydrophobicContact CB-CD2 3.64Å; A37-L58 HydrophobicContact CB-CG 3.98Å; Y54-L58 WeakPolarHBondContact O-CB 3.33Å; Y54-L58 PolarHBondContact O-N 3.46Å; V55-L58 PolarHBondContact O-N 3.31Å; C56-L58 VanDerWaalsContact C-N 3.33Å; C56-L58 PolarHBondContact O-N 3.33Å; L58-S61 PolarHBondContact O-OG 2.91Å; L58-F62 HydrophobicContact CD1-CE2 3.95Å; L58-F62 WeakPolarHBondContact O-CD2 3.36Å
59V92.8Very high91.2Very high0 Ų068.1 Ų68.10%037%0.365CS..Hα-helixtrans-71.9-46.7170.5173.90000110.1L34 A37 V55 C56 S61 F62 V63 I67L34-V59 HydrophobicContact CB-CG2 4.16Å; L34-V59 HydrophobicContact CD1-CG2 4.16Å; A37-V59 HydrophobicContact CB-CG2 4.44Å; V55-V59 HydrophobicContact CG1-CG2 4.4Å; V55-V59 WeakPolarHBondContact O-CG2 3.23Å; V55-V59 PolarHBondContact O-N 3.04Å; C56-V59 PolarHBondContact O-N 3.39Å; V59-S61 PolarHBondContact O-N 3.3Å; V59-F62 PolarHBondContact O-N 3.43Å; V59-V63 HydrophobicContact CG1-CG2 4.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.38Å; V59-V63 PolarHBondContact O-N 2.98Å; V59-I67 HydrophobicContact CG1-CD1 3.82Å
60N92.5Very high91.1Very high47 Ų4767.8 Ų67.825%0.25137%0.367SS..Hα-helixtrans-72-10.4-177.9-71.7-31.5000114.4C56 N57 F62 I67C56-N60 WeakPolarHBondContact O-CB 3.43Å; C56-N60 PolarHBondContact O-N 3.47Å; C56-N60 PolarHBondContact O-ND2 3.34Å; C56-N60 VanDerWaalsContact O-ND2 3.17Å; C56-N60 PolarHBondContact SG-ND2 3.42Å; C56-N60 VanDerWaalsContact SG-ND2 3.4Å; N57-N60 PolarHBondContact O-N 2.91Å; N60-F62 VanDerWaalsContact C-N 3.34Å; N60-I67 PolarHBondContact ND2-O 3.23Å; N60-I67 VanDerWaalsContact ND2-O 3.07Å; N60-I67 PolarHBondContact OD1-N 3.15Å
61S90.7Very high91.1Very high71 Ų7163.2 Ų63.250%0.49735%0.349SS..THydrogen-bonded Turntrans-76.7-19.9175.962.20000113.8N57 L58 V59N57-S61 PolarHBondContact O-N 2.98Å; L58-S61 PolarHBondContact O-OG 2.91Å; V59-S61 PolarHBondContact O-N 3.3Å
62F82.1Confident91Very high136 Ų13661.3 Ų61.360%0.59634%0.34SS*.THydrogen-bonded Turntrans-113.9-19.1-177.1-64.2-88.2000113.5Q33 L58 V59 N60Q33-F62 HydrophobicContact CG-CB 4.28Å; Q33-F62 HydrophobicContact CG-CD2 3.73Å; Q33-F62 HydrophobicContact CG-CG 4.3Å; L58-F62 HydrophobicContact CD1-CE2 3.95Å; L58-F62 WeakPolarHBondContact O-CD2 3.36Å; V59-F62 PolarHBondContact O-N 3.43Å; N60-F62 VanDerWaalsContact C-N 3.34Å
63V83Confident91Very high28 Ų2864.3 Ų64.317%0.1735%0.351CS..  trans-96.2139.4-178.4-173.90000109.3S30 V59 D65S30-V63 VanDerWaalsContact CB-CG2 3.46Å; V59-V63 HydrophobicContact CG1-CG2 4.33Å; V59-V63 WeakPolarHBondContact O-CG2 3.38Å; V59-V63 PolarHBondContact O-N 2.98Å; V63-D65 WeakPolarHBondContact CG1-O 3.27Å
64S79.6Confident90.9Very high109 Ų10965.8 Ų65.876%0.76235%0.354SS*.SBendtrans-70.5-35.1177.953.30000112.9
65D84.7Confident90.8Very high113 Ų11361.2 Ų61.260%0.60434%0.337SS*.SBendtrans-96.6123.2-177.4-61.8-27.3000109.8V63 I67V63-D65 WeakPolarHBondContact CG1-O 3.27Å; D65-I67 PolarHBondContact O-N 3.47Å
66P88.5Confident90.8Very high115 Ų11561.3 Ų61.375%0.74734%0.337SS*.PPolyproline II helixtrans-69121.3-177.827.6-33.6000110.4
67I91Very high90.7Very high4 Ų462.6 Ų62.62%0.02135%0.353CS..PPolyproline II helixtrans-88.7128.6175.2-55.5-177.5000108.5V25 W26 V59 N60 D65 D71 I72V25-I67 HydrophobicContact CG1-CG1 4.42Å; W26-I67 HydrophobicContact CE3-CD1 4.11Å; W26-I67 HydrophobicContact CH2-CD1 4.19Å; W26-I67 HydrophobicContact CH2-CG2 4.07Å; W26-I67 HydrophobicContact CZ2-CG2 4.06Å; W26-I67 HydrophobicContact CZ3-CD1 3.86Å; V59-I67 HydrophobicContact CG1-CD1 3.82Å; N60-I67 PolarHBondContact ND2-O 3.23Å; N60-I67 VanDerWaalsContact ND2-O 3.07Å; N60-I67 PolarHBondContact OD1-N 3.15Å; D65-I67 PolarHBondContact O-N 3.47Å; I67-D71 HydrophobicContact CG2-CB 4Å; I67-I72 HydrophobicContact CG2-CD1 4.46Å; I67-I72 HydrophobicContact CG2-CG1 3.78Å
68S93.1Very high90.5Very high56 Ų5661.3 Ų61.339%0.39235%0.353SS..PPolyproline II helixtrans-69.9147.3175.2-177.20000110.7D70 D71 I72S68-D70 PolarHBondContact O-N 3.3Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.07Å; S68-D71 PolarHBondContact O-N 3.49Å; S68-I72 PolarHBondContact O-N 2.92Å
69T93.7Very high90.4Very high50 Ų5060.7 Ų60.731%0.30735%0.35SS..Hα-helixtrans-53-35.9172.9-60.20000112.4M52 C56 D71 I72 W73M52-T69 HydrophobicContact CG-CG2 3.4Å; M52-T69 HydrophobicContact SD-CG2 4.3Å; C56-T69 PolarHBondContact SG-OG1 3.37Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 PolarHBondContact O-N 2.85Å; T69-I72 PolarHBondContact O-N 2.89Å; T69-W73 PolarHBondContact O-N 3.34Å
70D93.9Very high90.3Very high103 Ų10364 Ų6455%0.55136%0.363SS*.Hα-helixtrans-64.8-36178.6-65.7-25.5000112.6S68 W73 K74S68-D70 PolarHBondContact O-N 3.3Å; S68-D70 VanDerWaalsContact O-N 3.15Å; S68-D70 PolarHBondContact OG-N 3.07Å; D70-W73 PolarHBondContact O-N 3.24Å; D70-K74 VanDerWaalsContact O-CG 3.31Å; D70-K74 WeakPolarHBondContact O-CG 3.42Å; D70-K74 PolarHBondContact O-N 2.81Å
71D93.2Very high90.3Very high44 Ų4465.9 Ų65.924%0.23537%0.373CS..Hα-helixtrans-73.5-35.2-180-61.9-37000110.9W26 I67 S68 T69 K74 K75W26-D71 WeakPolarHBondContact CZ2-O 2.96Å; I67-D71 HydrophobicContact CG2-CB 4Å; S68-D71 PolarHBondContact O-N 3.49Å; T69-D71 VanDerWaalsContact C-N 3.32Å; T69-D71 PolarHBondContact O-N 2.85Å; D71-K74 PolarHBondContact O-N 2.84Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 3.47Å; D71-K75 WeakPolarHBondContact O-CB 2.94Å; D71-K75 PolarHBondContact O-N 3.44Å
72I93.5Very high90.3Very high0 Ų064 Ų640%036%0.357CS..Hα-helixtrans-60.8-46.4171.3-56.7176.6000110.3W26 L34 M52 V55 C56 I67 S68 T69 K74 K75 L76W26-I72 HydrophobicContact CH2-CB 4.46Å; W26-I72 HydrophobicContact CH2-CG1 4Å; W26-I72 HydrophobicContact CZ2-CG1 4.45Å; L34-I72 HydrophobicContact CD1-CG2 3.74Å; M52-I72 HydrophobicContact CE-CG2 4.12Å; M52-I72 HydrophobicContact SD-CB 4.15Å; M52-I72 HydrophobicContact SD-CG2 3.65Å; V55-I72 HydrophobicContact CG1-CG2 4.08Å; C56-I72 VanDerWaalsContact CA-CD1 3.49Å; C56-I72 HydrophobicContact CB-CD1 3.73Å; I67-I72 HydrophobicContact CG2-CD1 4.46Å; I67-I72 HydrophobicContact CG2-CG1 3.78Å; S68-I72 PolarHBondContact O-N 2.92Å; T69-I72 PolarHBondContact O-N 2.89Å; I72-K74 PolarHBondContact O-N 3.47Å; I72-K75 PolarHBondContact O-N 3.32Å; I72-L76 HydrophobicContact CG2-CD1 3.98Å; I72-L76 HydrophobicContact CG2-CG 4.38Å; I72-L76 WeakPolarHBondContact O-CB 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.17Å
73W94.4Very high90.7Very high65 Ų6564.8 Ų64.825%0.24636%0.362CS..Hα-helixtrans-59.4-44.9175.6-78.2117.3000112.5P43 R48 M52 T69 D70 K75 L76 G77 M82P43-W73 WeakPolarHBondContact O-CH2 3.34Å; R48-W73 HydrophobicContact CB-CH2 4.25Å; R48-W73 HydrophobicContact CG-CH2 4.31Å; M52-W73 HydrophobicContact CB-CH2 4.45Å; M52-W73 HydrophobicContact CB-CZ2 3.66Å; M52-W73 HydrophobicContact CE-CD2 3.52Å; M52-W73 VanDerWaalsContact CE-CE2 3.41Å; M52-W73 HydrophobicContact CE-CE3 3.71Å; M52-W73 HydrophobicContact CE-CG 4.2Å; M52-W73 HydrophobicContact CE-CH2 3.66Å; M52-W73 HydrophobicContact CE-CZ2 3.49Å; M52-W73 VanDerWaalsContact CE-CZ2 3.49Å; M52-W73 HydrophobicContact CE-CZ3 3.79Å; M52-W73 HydrophobicContact CG-CZ2 3.73Å; M52-W73 HydrophobicContact SD-CZ2 4.44Å; T69-W73 PolarHBondContact O-N 3.34Å; D70-W73 PolarHBondContact O-N 3.24Å; W73-K75 PolarHBondContact O-N 3.4Å; W73-L76 PolarHBondContact O-N 3.02Å; W73-G77 PolarHBondContact O-N 3.44Å; W73-M82 HydrophobicContact CE3-CE 4.06Å; W73-M82 HydrophobicContact CZ3-CE 3.48Å; W73-M82 VanDerWaalsContact CZ3-CE 3.48Å
74K92.8Very high91.1Very high135 Ų13567.5 Ų67.559%0.58737%0.373SS*.Hα-helixtrans-61-44.9177.3-70.1170.3-158.2157.10111.6D70 D71 I72 G77 S78D70-K74 VanDerWaalsContact O-CG 3.31Å; D70-K74 WeakPolarHBondContact O-CG 3.42Å; D70-K74 PolarHBondContact O-N 2.81Å; D71-K74 PolarHBondContact O-N 2.84Å; D71-K74 IonicContact OD1-NZ 3.72Å; D71-K74 PolarHBondContact OD1-NZ 3.47Å; I72-K74 PolarHBondContact O-N 3.47Å; K74-G77 PolarHBondContact O-N 3.45Å; K74-S78 PolarHBondContact O-N 3.24Å
75K92Very high91.6Very high34 Ų3464.7 Ų64.715%0.14835%0.349CS..Hα-helixtrans-63-45.7178.5-176.266.5173-177.90110.9W26 E31 L34 D71 I72 W73 G77 S78 L79W26-K75 HydrophobicContact CD2-CB 4.43Å; W26-K75 HydrophobicContact CD2-CD 4.14Å; W26-K75 HydrophobicContact CD2-CG 4.03Å; W26-K75 HydrophobicContact CE3-CG 4.42Å; W26-K75 HydrophobicContact CG-CD 4.18Å; W26-K75 HydrophobicContact CH2-CB 4.07Å; W26-K75 HydrophobicContact CH2-CG 4.16Å; W26-K75 HydrophobicContact CZ2-CB 3.37Å; W26-K75 HydrophobicContact CZ2-CG 3.76Å; W26-K75 HydrophobicContact CZ3-CG 4.48Å; E31-K75 WeakPolarHBondContact OE1-CE 3.03Å; E31-K75 IonicContact OE1-NZ 3.24Å; E31-K75 PolarHBondContact OE1-NZ 3.49Å; E31-K75 IonicContact OE2-NZ 2.8Å; L34-K75 HydrophobicContact CD2-CG 3.86Å; D71-K75 WeakPolarHBondContact O-CB 2.94Å; D71-K75 PolarHBondContact O-N 3.44Å; I72-K75 PolarHBondContact O-N 3.32Å; W73-K75 PolarHBondContact O-N 3.4Å; K75-G77 PolarHBondContact O-N 3.19Å; K75-S78 WeakPolarHBondContact O-CB 3.19Å; K75-S78 PolarHBondContact O-N 2.73Å; K75-L79 HydrophobicContact CD-CD1 4.41Å; K75-L79 HydrophobicContact CG-CD1 4.29Å; K75-L79 WeakPolarHBondContact O-CG 3.03Å; K75-L79 PolarHBondContact O-N 2.87Å; K75-L79 VanDerWaalsContact O-N 3.16Å
76L93.4Very high91.8Very high1 Ų162.6 Ų62.61%0.00534%0.336CS..Hα-helixtrans-63.1-40.9176.1-70.6173.6000112.6L34 I38 P43 M52 I72 W73 S78 L79 Y80 M82L34-L76 HydrophobicContact CD1-CD2 4.34Å; L34-L76 HydrophobicContact CD2-CD2 4.27Å; L34-L76 HydrophobicContact CG-CD2 4.46Å; I38-L76 HydrophobicContact CD1-CD2 4.45Å; I38-L76 HydrophobicContact CG2-CD2 4.01Å; P43-L76 HydrophobicContact CB-CD1 3.98Å; P43-L76 HydrophobicContact CG-CD1 3.89Å; M52-L76 HydrophobicContact CE-CD1 3.6Å; I72-L76 HydrophobicContact CG2-CD1 3.98Å; I72-L76 HydrophobicContact CG2-CG 4.38Å; I72-L76 WeakPolarHBondContact O-CB 3.28Å; I72-L76 WeakPolarHBondContact O-CG 3.24Å; I72-L76 PolarHBondContact O-N 3.17Å; W73-L76 PolarHBondContact O-N 3.02Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.98Å; L76-L79 PolarHBondContact O-N 3.16Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 4.24Å; L76-Y80 WeakPolarHBondContact O-CA 3.33Å; L76-Y80 PolarHBondContact O-N 3.42Å; L76-M82 HydrophobicContact CB-CE 4.45Å; L76-M82 HydrophobicContact CB-SD 4.06Å; L76-M82 HydrophobicContact CD1-CE 4.49Å
77G92.3Very high91.8Very high44 Ų4463.5 Ų63.545%0.45433%0.334SS..Hα-helixtrans-68.2-2317600000114.3W73 K74 K75W73-G77 PolarHBondContact O-N 3.44Å; K74-G77 PolarHBondContact O-N 3.45Å; K75-G77 PolarHBondContact O-N 3.19Å
78S90.2Very high91.6Very high86 Ų8667.3 Ų67.360%0.60136%0.361SS*.Hα-helixtrans-74.4-39.7171.6-1750000111.9K74 K75 L76K74-S78 PolarHBondContact O-N 3.24Å; K75-S78 WeakPolarHBondContact O-CB 3.19Å; K75-S78 PolarHBondContact O-N 2.73Å; L76-S78 VanDerWaalsContact C-N 3.27Å; L76-S78 PolarHBondContact O-N 2.98Å
79L90.3Very high91.3Very high33 Ų3366.8 Ų66.817%0.17335%0.353CS..Hα-helixtrans-85.7-39.1-175.7-64.1177.6000113.8F35 K75 L76F35-L79 HydrophobicContact CE1-CD1 3.87Å; F35-L79 HydrophobicContact CZ-CD1 3.9Å; K75-L79 HydrophobicContact CD-CD1 4.41Å; K75-L79 HydrophobicContact CG-CD1 4.29Å; K75-L79 WeakPolarHBondContact O-CG 3.03Å; K75-L79 PolarHBondContact O-N 2.87Å; K75-L79 VanDerWaalsContact O-N 3.16Å; L76-L79 PolarHBondContact O-N 3.16Å
80Y91.3Very high90.6Very high71 Ų7169.7 Ų69.728%0.27837%0.37SS..SBendtrans-124.8147.9-172.4-61.7-78.8000111.6F35 I38 L76 M82 L85F35-Y80 HydrophobicContact CE1-CE2 4.48Å; I38-Y80 HydrophobicContact CD1-CE2 3.88Å; L76-Y80 HydrophobicContact CD2-CD2 4.08Å; L76-Y80 HydrophobicContact CD2-CE2 4.24Å; L76-Y80 WeakPolarHBondContact O-CA 3.33Å; L76-Y80 PolarHBondContact O-N 3.42Å; Y80-M82 PolarHBondContact O-N 2.93Å; Y80-M82 VanDerWaalsContact O-N 3.09Å; Y80-L85 HydrophobicContact CD1-CD1 4.39Å; Y80-L85 HydrophobicContact CG-CD1 4.33Å
81N92.6Very high89.7Confident85 Ų8567.9 Ų67.946%0.45536%0.36SS..  trans-7890.9167.9-172.22.8000110E83 E84 L85N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.95Å; N81-E84 HydrophobicContact CB-CB 4.15Å; N81-E84 VanDerWaalsContact ND2-CB 3.31Å; N81-E84 WeakPolarHBondContact ND2-CB 3.45Å; N81-E84 PolarHBondContact ND2-OE2 3.33Å; N81-E84 PolarHBondContact O-N 3.36Å; N81-L85 WeakPolarHBondContact O-CG 3.49Å; N81-L85 PolarHBondContact O-N 3Å; N81-L85 VanDerWaalsContact O-N 3.14Å
82M91.1Very high88.7Confident32 Ų3271 Ų7116%0.15838%0.383CS..Hα-helixtrans-65.1-30.2-173.8-66.1-59.5-73.300113.6P43 V44 W73 L76 Y80 L85 H86P43-M82 HydrophobicContact CB-CE 4.2Å; P43-M82 HydrophobicContact CG-CE 4.1Å; P43-M82 WeakPolarHBondContact O-CE 3.45Å; V44-M82 HydrophobicContact CG1-CE 3.64Å; V44-M82 HydrophobicContact CG1-SD 4.35Å; W73-M82 HydrophobicContact CE3-CE 4.06Å; W73-M82 HydrophobicContact CZ3-CE 3.48Å; W73-M82 VanDerWaalsContact CZ3-CE 3.48Å; L76-M82 HydrophobicContact CB-CE 4.45Å; L76-M82 HydrophobicContact CB-SD 4.06Å; L76-M82 HydrophobicContact CD1-CE 4.49Å; Y80-M82 PolarHBondContact O-N 2.93Å; Y80-M82 VanDerWaalsContact O-N 3.09Å; M82-L85 HydrophobicContact SD-CD1 4.33Å; M82-H86 WeakPolarHBondContact O-CB 3.19Å; M82-H86 PolarHBondContact O-N 3.21Å
83E91Very high87.6Confident153 Ų15378.4 Ų78.472%0.71542%0.415SS*.Hα-helixtrans-67.6-49.1178.4-64.3-175.6168.600110.9N81 L85 H86 D87N81-E83 VanDerWaalsContact C-N 3.29Å; N81-E83 PolarHBondContact O-N 2.95Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.93Å; E83-H86 WeakPolarHBondContact O-CB 3.43Å; E83-H86 PolarHBondContact O-N 2.98Å; E83-H86 VanDerWaalsContact O-N 3.14Å; E83-D87 PolarHBondContact O-N 3.04Å
84E90.6Very high86.4Confident85 Ų8582.6 Ų82.640%0.39744%0.438SS..Hα-helixtrans-63.1-39.4178.1-179.8175.1-171.500112.3F9 N81 H86 D87 S88F9-E84 WeakPolarHBondContact CD1-OE1 3.38Å; F9-E84 WeakPolarHBondContact CE1-OE1 3.46Å; N81-E84 HydrophobicContact CB-CB 4.15Å; N81-E84 VanDerWaalsContact ND2-CB 3.31Å; N81-E84 WeakPolarHBondContact ND2-CB 3.45Å; N81-E84 PolarHBondContact ND2-OE2 3.33Å; N81-E84 PolarHBondContact O-N 3.36Å; E84-H86 VanDerWaalsContact C-N 3.35Å; E84-D87 PolarHBondContact O-N 3.23Å; E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.42Å
85L91Very high85.5Confident50 Ų5081.1 Ų81.126%0.26245%0.445SS..Hα-helixtrans-64.7-39.6175-70.7176.4000111.9V44 Y80 N81 M82 E83 S88V44-L85 HydrophobicContact CB-CB 4.39Å; V44-L85 HydrophobicContact CG1-CB 3.74Å; V44-L85 HydrophobicContact CG2-CB 4.26Å; Y80-L85 HydrophobicContact CD1-CD1 4.39Å; Y80-L85 HydrophobicContact CG-CD1 4.33Å; N81-L85 WeakPolarHBondContact O-CG 3.49Å; N81-L85 PolarHBondContact O-N 3Å; N81-L85 VanDerWaalsContact O-N 3.14Å; M82-L85 HydrophobicContact SD-CD1 4.33Å; E83-L85 VanDerWaalsContact C-N 3.32Å; E83-L85 PolarHBondContact O-N 2.93Å; L85-S88 PolarHBondContact O-N 2.99Å; L85-S88 PolarHBondContact O-OG 3.01Å
86H89Confident84.9Confident69 Ų6988.4 Ų88.432%0.31948%0.476SS..Hα-helixtrans-62.5-44.6176.7-178.965.5000112.1G45 M82 E83 E84 E89G45-H86 PolarHBondContact N-ND1 3.37Å; G45-H86 PolarHBondContact O-CE1 3.27Å; G45-H86 VanDerWaalsContact O-CE1 3.23Å; G45-H86 PolarHBondContact O-ND1 3.11Å; M82-H86 WeakPolarHBondContact O-CB 3.19Å; M82-H86 PolarHBondContact O-N 3.21Å; E83-H86 WeakPolarHBondContact O-CB 3.43Å; E83-H86 PolarHBondContact O-N 2.98Å; E83-H86 VanDerWaalsContact O-N 3.14Å; E84-H86 VanDerWaalsContact C-N 3.35Å; H86-E89 PolarHBondContact O-N 2.88Å
87D87.5Confident84.4Confident134 Ų13497.9 Ų97.972%0.71752%0.523SS*.Hα-helixtrans-72.4-30.5-178.7-69.6-13.9000112.8E83 E84 E89E83-D87 PolarHBondContact O-N 3.04Å; E84-D87 PolarHBondContact O-N 3.23Å; D87-E89 PolarHBondContact O-N 3.13Å
88S87.1Confident84.2Confident84 Ų84104.2 Ų104.259%0.58754%0.538SS*.THydrogen-bonded Turntrans-73.1-11.4177.975.10000114.1E84 L85 V90E84-S88 WeakPolarHBondContact O-CB 3.32Å; E84-S88 PolarHBondContact O-N 3.46Å; E84-S88 PolarHBondContact O-OG 3.42Å; L85-S88 PolarHBondContact O-N 2.99Å; L85-S88 PolarHBondContact O-OG 3.01Å; S88-V90 PolarHBondContact O-N 3.38Å
89E86.2Confident84.2Confident45 Ų45108.2 Ų108.221%0.2155%0.547CS..  trans-78.3120-174.1178153.1-15900112.8K42 V44 G45 H86 D87 N91K42-E89 WeakPolarHBondContact CE-OE1 3.4Å; K42-E89 WeakPolarHBondContact CE-OE2 3.42Å; K42-E89 IonicContact NZ-OE1 2.7Å; K42-E89 PolarHBondContact NZ-OE1 3.44Å; K42-E89 IonicContact NZ-OE2 2.73Å; K42-E89 PolarHBondContact NZ-OE2 3.34Å; V44-E89 WeakPolarHBondContact CG2-OE2 3.43Å; V44-E89 VanDerWaalsContact O-OE2 3.1Å; G45-E89 WeakPolarHBondContact CA-OE2 3.38Å; G45-E89 PolarHBondContact N-OE2 3.5Å; H86-E89 PolarHBondContact O-N 2.88Å; D87-E89 PolarHBondContact O-N 3.13Å; E89-N91 PolarHBondContact O-N 3.06Å
90V79.6Confident84.2Confident111 Ų111114.2 Ų114.267%0.67357%0.572SS**  trans-77.4105.6171.5-174.50000109.1S88 P92S88-V90 PolarHBondContact O-N 3.38Å; V90-P92 WeakPolarHBondContact O-CD 3.32Å
91N74Confident84.2Confident64 Ų64114.7 Ų114.734%0.34259%0.586SS.*  trans-66.1119.9169.6-179.42.5000109.7E89 F93E89-N91 PolarHBondContact O-N 3.06Å; N91-F93 PolarHBondContact ND2-O 2.75Å; N91-F93 PolarHBondContact O-N 2.93Å; N91-F93 WeakPolarHBondContact OD1-CB 3.44Å; N91-F93 VanDerWaalsContact OD1-CD2 3.32Å; N91-F93 WeakPolarHBondContact OD1-CD2 3.48Å; N91-F93 PolarHBondContact OD1-N 3.23Å
92P72.6Confident84Confident109 Ų109113.6 Ų113.671%0.70858%0.58SS**SBendtrans-64-23.3178.227.4-35.6000112.3V90 Q94V90-P92 WeakPolarHBondContact O-CD 3.32Å; P92-Q94 PolarHBondContact O-N 3.08Å
93F70.4Confident84.1Confident156 Ų156115 Ų11568%0.68459%0.591SS**  trans-8471.4171-49.4-69.2000109.5N91 S95N91-F93 PolarHBondContact ND2-O 2.75Å; N91-F93 PolarHBondContact O-N 2.93Å; N91-F93 WeakPolarHBondContact OD1-CB 3.44Å; N91-F93 VanDerWaalsContact OD1-CD2 3.32Å; N91-F93 WeakPolarHBondContact OD1-CD2 3.48Å; N91-F93 PolarHBondContact OD1-N 3.23Å; F93-S95 PolarHBondContact O-N 2.77Å
94Q69.3Low84.2Confident153 Ų153115.8 Ų115.872%0.71560%0.595SS**  trans-6969.2162.7-64.8-175.1-8.200108.6P92 K96P92-Q94 PolarHBondContact O-N 3.08Å; Q94-K96 PolarHBondContact O-N 3.4Å
95S73.6Confident84.2Confident105 Ų105118.2 Ų118.273%0.73461%0.606SS**  trans-65.498.9174.246.70000107.8F93 M97F93-S95 PolarHBondContact O-N 2.77Å; S95-M97 PolarHBondContact O-N 2.9Å
96K80.8Confident84.2Confident186 Ų186120.3 Ų120.381%0.80961%0.611SS**  trans-61.5132.9165.2-63.4-179.3-177.2178.80106.9Q94 K98Q94-K96 PolarHBondContact O-N 3.4Å; K96-K98 PolarHBondContact O-N 3.07Å; K96-K98 VanDerWaalsContact O-N 3.07Å
97M82.9Confident84.2Confident201 Ų201120.8 Ų120.899%0.9962%0.616SS**  trans-57.7118.9171.1-60-175.6-150.800107.8S95S95-M97 PolarHBondContact O-N 2.9Å
98K86.4Confident84.2Confident176 Ų176118.2 Ų118.277%0.76561%0.609SS**  trans-132135.2177.1-174.7-176.4174.2-177.20107K96 F100K96-K98 PolarHBondContact O-N 3.07Å; K96-K98 VanDerWaalsContact O-N 3.07Å; K98-F100 PolarHBondContact O-N 3.31Å
99E90.8Very high84.2Confident170 Ų170118.1 Ų118.179%0.79460%0.601SS**  trans-55.3130.3171.3-169.759.8-146.200109.1S101E99-S101 PolarHBondContact O-N 3.24Å
100F90.5Very high84.1Confident159 Ų159120.8 Ų120.870%0.69761%0.612SS**  trans-69.6119.5-179.8172.2-95.1000109.4K98 L102K98-F100 PolarHBondContact O-N 3.31Å; F100-L102 HydrophobicContact CE1-CB 4.2Å; F100-L102 HydrophobicContact CE1-CD1 4.47Å; F100-L102 HydrophobicContact CZ-CB 4.24Å; F100-L102 HydrophobicContact CZ-CD1 3.82Å
101S91.4Very high84.5Confident82 Ų82120.2 Ų120.257%0.57361%0.613SS**  trans-118.8123.2167.762.10000108.4E99E99-S101 PolarHBondContact O-N 3.24Å
102L89.3Confident85Confident62 Ų62121.3 Ų121.333%0.32562%0.619SS.*  trans-66130.2175.8-169.470.4000109.5F100 Y106 K110F100-L102 HydrophobicContact CE1-CB 4.2Å; F100-L102 HydrophobicContact CE1-CD1 4.47Å; F100-L102 HydrophobicContact CZ-CB 4.24Å; F100-L102 HydrophobicContact CZ-CD1 3.82Å; L102-Y106 HydrophobicContact CD1-CD2 3.7Å; L102-Y106 HydrophobicContact CD1-CE2 4.26Å; L102-Y106 HydrophobicContact CD1-CG 4.21Å; L102-Y106 HydrophobicContact CD2-CD2 4.25Å; L102-Y106 HydrophobicContact CD2-CG 4.1Å; L102-Y106 HydrophobicContact CG-CD2 3.72Å; L102-Y106 HydrophobicContact CG-CG 4.09Å; L102-K110 HydrophobicContact CD2-CD 4.37Å; L102-K110 VanDerWaalsContact CD2-CE 3.4Å; L102-K110 HydrophobicContact CD2-CG 4.17Å
103P92.6Very high85.7Confident61 Ų61125.4 Ų125.440%0.39663%0.625SS.*  trans-52.5146.8175.5-28.335.9000113E105 Y106P103-E105 HydrophobicContact CB-CG 3.98Å; P103-E105 PolarHBondContact O-N 2.7Å; P103-Y106 HydrophobicContact CB-CD2 3.91Å; P103-Y106 HydrophobicContact CB-CE2 3.98Å; P103-Y106 HydrophobicContact CG-CD2 4.18Å; P103-Y106 HydrophobicContact CG-CE2 3.95Å; P103-Y106 WeakPolarHBondContact O-CD2 3.38Å; P103-Y106 PolarHBondContact O-N 3.14Å; P103-Y106 VanDerWaalsContact O-N 3.14Å
104E91.8Very high86.4Confident170 Ų170126 Ų12679%0.79462%0.624SS**G310 helixtrans-59.6-27.6-175.3-64.6179.6-179.800112.9Y106 D107E104-Y106 PolarHBondContact O-N 3.01Å; E104-D107 WeakPolarHBondContact O-CB 3.45Å; E104-D107 PolarHBondContact O-N 3.02Å
105E92Very high87.2Confident136 Ų136123.9 Ų123.964%0.63662%0.624SS**G310 helixtrans-56.3-23.4176.867.7-155.5-129.300113.8P103P103-E105 HydrophobicContact CB-CG 3.98Å; P103-E105 PolarHBondContact O-N 2.7Å
106Y90.7Very high87.2Confident93 Ų93122.8 Ų122.837%0.36560%0.603SS.*G310 helixtrans-94.71.9-179.4-58.2-67000114.1L102 P103 E104 S108 L109 K110L102-Y106 HydrophobicContact CD1-CD2 3.7Å; L102-Y106 HydrophobicContact CD1-CE2 4.26Å; L102-Y106 HydrophobicContact CD1-CG 4.21Å; L102-Y106 HydrophobicContact CD2-CD2 4.25Å; L102-Y106 HydrophobicContact CD2-CG 4.1Å; L102-Y106 HydrophobicContact CG-CD2 3.72Å; L102-Y106 HydrophobicContact CG-CG 4.09Å; P103-Y106 HydrophobicContact CB-CD2 3.91Å; P103-Y106 HydrophobicContact CB-CE2 3.98Å; P103-Y106 HydrophobicContact CG-CD2 4.18Å; P103-Y106 HydrophobicContact CG-CE2 3.95Å; P103-Y106 WeakPolarHBondContact O-CD2 3.38Å; P103-Y106 PolarHBondContact O-N 3.14Å; P103-Y106 VanDerWaalsContact O-N 3.14Å; E104-Y106 PolarHBondContact O-N 3.01Å; Y106-S108 PolarHBondContact O-N 3.17Å; Y106-L109 HydrophobicContact CD1-CD1 4.02Å; Y106-L109 WeakPolarHBondContact O-CB 3.49Å; Y106-L109 PolarHBondContact O-N 3.4Å; Y106-K110 PolarHBondContact O-N 3.16Å
107D89.6Confident86.9Confident79 Ų79119.7 Ų119.742%0.42260%0.6SS.*Hα-helixtrans-63.3-31.2179.7-72.9-19.7000112.3E104 L109 K110 S111E104-D107 WeakPolarHBondContact O-CB 3.45Å; E104-D107 PolarHBondContact O-N 3.02Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 3.08Å; D107-K110 WeakPolarHBondContact O-CB 3.42Å; D107-K110 PolarHBondContact O-N 2.95Å; D107-K110 VanDerWaalsContact O-N 3.17Å; D107-K110 WeakPolarHBondContact OD1-CD 3.46Å; D107-K110 IonicContact OD1-NZ 2.85Å; D107-K110 PolarHBondContact OD1-NZ 2.91Å; D107-S111 PolarHBondContact O-N 3.08Å
108S87.4Confident86.2Confident81 Ų81115.5 Ų115.557%0.56659%0.585SS**Hα-helixtrans-60.3-35.1171.162.30000112.8Y106 S111Y106-S108 PolarHBondContact O-N 3.17Å; S108-S111 PolarHBondContact O-OG 2.86Å
109L86.2Confident85.1Confident82 Ų82112.8 Ų112.843%0.42959%0.589SS.*Hα-helixtrans-78.5-31.4175.1-62.9179.7000111.9Y106 D107 S111 L112 R116Y106-L109 HydrophobicContact CD1-CD1 4.02Å; Y106-L109 WeakPolarHBondContact O-CB 3.49Å; Y106-L109 PolarHBondContact O-N 3.4Å; D107-L109 VanDerWaalsContact C-N 3.28Å; D107-L109 PolarHBondContact O-N 3.08Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.77Å; L109-L112 HydrophobicContact CD2-CD1 3.96Å; L109-L112 PolarHBondContact O-N 2.92Å; L109-R116 WeakPolarHBondContact O-CD 3.47Å; L109-R116 PolarHBondContact O-NH1 3.44Å
110K85.2Confident83.4Confident100 Ų100111.6 Ų111.644%0.43559%0.588SS.*Hα-helixtrans-63.1-34.6176.3-72-177-175.9139.10112.2L102 Y106 D107 L112 R116L102-K110 HydrophobicContact CD2-CD 4.37Å; L102-K110 VanDerWaalsContact CD2-CE 3.4Å; L102-K110 HydrophobicContact CD2-CG 4.17Å; Y106-K110 PolarHBondContact O-N 3.16Å; D107-K110 WeakPolarHBondContact O-CB 3.42Å; D107-K110 PolarHBondContact O-N 2.95Å; D107-K110 VanDerWaalsContact O-N 3.17Å; D107-K110 WeakPolarHBondContact OD1-CD 3.46Å; D107-K110 IonicContact OD1-NZ 2.85Å; D107-K110 PolarHBondContact OD1-NZ 2.91Å; K110-L112 VanDerWaalsContact C-N 3.35Å; K110-R116 VanDerWaalsContact CA-NH1 3.3Å; K110-R116 PolarHBondContact O-NH1 3.19Å
111S86.4Confident81.6Confident99 Ų99108.8 Ų108.869%0.69259%0.588SS**SBendtrans-77.4-17.6-179.466.10000114D107 S108 L109D107-S111 PolarHBondContact O-N 3.08Å; S108-S111 PolarHBondContact O-OG 2.86Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-S111 PolarHBondContact O-N 2.77Å
112L85.9Confident79.8Confident88 Ų88108.9 Ų108.946%0.46160%0.602SS.*SBendtrans-68.7138.4175.5-64.1174.9000111.6L109 K110 R116L109-L112 HydrophobicContact CD2-CD1 3.96Å; L109-L112 PolarHBondContact O-N 2.92Å; K110-L112 VanDerWaalsContact C-N 3.35Å; L112-R116 HydrophobicContact CB-CG 4.45Å; L112-R116 PolarHBondContact O-NH1 3.17Å; L112-R116 VanDerWaalsContact O-NH1 3.08Å
113K86.9Confident78.3Confident194 Ų194112.6 Ų112.684%0.84362%0.621SS**PPolyproline II helixtrans-67.5136.4172.1-170.4177.3179.1-1790109.6P115K113-P115 CarbonylContact O-C 3.46Å
114Y84.2Confident76Confident170 Ų170115.2 Ų115.267%0.66764%0.64SS**SBendtrans-58.1139.6171.5-77.5-81.6000110.8R116Y114-R116 HydrophobicContact CD1-CG 4.11Å; Y114-R116 HydrophobicContact CE1-CG 4.23Å; Y114-R116 VanDerWaalsContact CZ-CZ 3.48Å; Y114-R116 PolarHBondContact OH-NE 2.8Å; Y114-R116 PolarHBondContact OH-NH2 3.05Å
115P85.9Confident74.2Confident108 Ų108112.3 Ų112.370%0.70163%0.634SS**PPolyproline II helixcis-77.8133.7-1.130.1-32.3000113K113 V117K113-P115 CarbonylContact O-C 3.46Å; P115-V117 PolarHBondContact O-N 3.35Å
116R75Confident72Confident82 Ų82111.2 Ų111.231%0.30964%0.641SS.*  trans-76.60.4-175.5-57.2177.1-159.6-865.7114.4L109 K110 L112 Y114L109-R116 WeakPolarHBondContact O-CD 3.47Å; L109-R116 PolarHBondContact O-NH1 3.44Å; K110-R116 VanDerWaalsContact CA-NH1 3.3Å; K110-R116 PolarHBondContact O-NH1 3.19Å; L112-R116 HydrophobicContact CB-CG 4.45Å; L112-R116 PolarHBondContact O-NH1 3.17Å; L112-R116 VanDerWaalsContact O-NH1 3.08Å; Y114-R116 HydrophobicContact CD1-CG 4.11Å; Y114-R116 HydrophobicContact CE1-CG 4.23Å; Y114-R116 VanDerWaalsContact CZ-CZ 3.48Å; Y114-R116 PolarHBondContact OH-NE 2.8Å; Y114-R116 PolarHBondContact OH-NH2 3.05Å
117V73.7Confident70.1Confident120 Ų120117.6 Ų117.673%0.72767%0.665SS**SBendtrans-129.9120.1176.2-162.40000106.7P115P115-V117 PolarHBondContact O-N 3.35Å
118T69.2Low68.2Low113 Ų113118.4 Ų118.469%0.69368%0.676SS**  trans-74.9129.8169.250.80000107.6N120T118-N120 PolarHBondContact O-N 3.36Å
119S62.1Low66.1Low119 Ų119120 Ų12083%0.83269%0.685SS**  trans-70.269.8175.745.20000110.5
120N56.1Low64.3Low146 Ų146127.9 Ų127.978%0.78171%0.709SS**  trans-114.454.4174.4-84.449.2000109.9T118T118-N120 PolarHBondContact O-N 3.36Å
121S53.4Low62.5Low99 Ų99129.4 Ų129.469%0.69273%0.727SS**SBendtrans-157.8132.1154.459.20000107.3I123S121-I123 VanDerWaalsContact C-N 3.3Å; S121-I123 PolarHBondContact O-N 3.39Å
122G51.6Low60.1Low84 Ų84132.5 Ų132.587%0.86674%0.735SS**  trans-72.562.8-160.900000116.4
123I57.7Low58.3Low141 Ų141133.5 Ų133.572%0.72375%0.75SS**  trans-108.985.9167.8-53.5178.7000108.3S121 V125S121-I123 VanDerWaalsContact C-N 3.3Å; S121-I123 PolarHBondContact O-N 3.39Å; I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CG2-CG2 3.96Å; I123-V125 PolarHBondContact O-N 3Å
124S44.3Very low55.9Low115 Ų115129.8 Ų129.880%0.80475%0.747SS**  trans-68.685.4171.830.70000110.4S126S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 VanDerWaalsContact O-N 3.16Å
125V55.9Low54.3Low109 Ų109126.1 Ų126.166%0.66175%0.746SS**  trans-81.685.8163.1-175.80000107.9I123 R127I123-V125 VanDerWaalsContact C-N 3.33Å; I123-V125 HydrophobicContact CG2-CG2 3.96Å; I123-V125 PolarHBondContact O-N 3Å; V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.22Å
126S45.4Very low52.8Low113 Ų113129.2 Ų129.279%0.7975%0.751SS**  trans-68.987.1170.154.50000109.9S124 S128S124-S126 VanDerWaalsContact C-N 3.33Å; S124-S126 PolarHBondContact O-N 3.3Å; S124-S126 VanDerWaalsContact O-N 3.16Å; S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 2.96Å; S126-S128 VanDerWaalsContact O-N 3.08Å
127R50.6Low51.5Low228 Ų228134.5 Ų134.586%0.8678%0.777SS**  trans-8184.3171.4-161.2174-80.4-179.2-4.7108.5V125V125-R127 VanDerWaalsContact C-N 3.3Å; V125-R127 PolarHBondContact O-N 3.22Å
128S48.4Very low50Low95 Ų95140.2 Ų140.266%0.66479%0.785SS**  trans-74.8135.7172.8-168.90000110.6S126 R130S126-S128 VanDerWaalsContact C-N 3.34Å; S126-S128 PolarHBondContact O-N 2.96Å; S126-S128 VanDerWaalsContact O-N 3.08Å; S128-R130 PolarHBondContact O-N 2.76Å
129P44.7Very low49.2Very low116 Ų116141.9 Ų141.975%0.75380%0.796SS**  trans-76.2117.817819.2-9.6000109.6
130R48.1Very low48.5Very low246 Ų246147.7 Ų147.793%0.92880%0.799SS**  trans-89.7110.9173.3-70-174.8173.8-132.6-1.2109.1S128S128-R130 PolarHBondContact O-N 2.76Å
131T47.5Very low48.3Very low132 Ų132150.4 Ų150.481%0.8180%0.804SS**  trans-68.3142.1166.342.50000110.7
132D36.8Very low47.9Very low164 Ų164150.6 Ų150.688%0.87781%0.805SS**  trans-61.6131.1175.7-106.7-41.1000112.4
133S46.8Very low48.3Very low109 Ų109154.4 Ų154.476%0.76281%0.805SS**  trans-176.4104.5147.229.10000112.6
134C37.6Very low47.4Very low117 Ų117159.4 Ų159.479%0.79182%0.815SS**  44.8122.6128.4-151.40000121.4
135S48.6Very low47.7Very low92 Ų92159.3 Ų159.364%0.64381%0.814SS**  trans92.4108138.8-77.60000122.2
136Q56.3Low47.7Very low173 Ų173159.9 Ų159.981%0.80882%0.817SS**  trans103.6123.1130.2-66.4177.413.200121.3
137K46Very low47.6Very low194 Ų194160.9 Ų160.984%0.84381%0.814SS**  trans82.294.1147.7-86.3175.6171.9176.50120.9
138R43.2Very low47.7Very low239 Ų239154.8 Ų154.890%0.90281%0.806SS**  8.7124.7128.3-74.7175.4142.4162.3-5.9116.9
139T51.8Low47.3Very low149 Ų149156.7 Ų156.791%0.91481%0.809SS**  -168134.3119.445.60000111
140R47Very low47.2Very low241 Ų241156.5 Ų156.591%0.90981%0.806SS**  trans-86.8147.2178.5-64.4168.784.4150.61.9111.4
141K53Low46.8Very low203 Ų203150 Ų15088%0.88379%0.794SS**  trans-167.4110.5151.7-95.3141.4-177.8-176.60106.4
142S44.6Very low46.5Very low102 Ų102150.9 Ų150.971%0.71379%0.793SS**  53.5118.389.5-151.20000110.9
143L59.4Low46.8Very low165 Ų165147.1 Ų147.186%0.86479%0.785SS**  -168.4154.371.8-77.1159.3000111.2
144R39.8Very low46.6Very low245 Ų245146.7 Ų146.793%0.92578%0.782SS**  trans-84.7149.6168.2-71.3174.3168.7176-5.1111.2
145S51.1Low47.1Very low113 Ų113146 Ų14679%0.7978%0.778SS**  trans-167.8115.5151.2570000106.5
146V54.2Low46.9Very low121 Ų121147.3 Ų147.373%0.73378%0.782SS**  48.2125.455169.90000110.5
147D43.9Very low46.7Very low134 Ų134146 Ų14672%0.71778%0.781SS**  cis-169.4172-5.7-103.6-17.7000106.4
148S52.2Low46.8Very low100 Ų100142.1 Ų142.170%0.69978%0.778SS**  trans73.5140.1150.1-58.60000117
149N41.4Very low47Very low136 Ų136136.2 Ų136.273%0.72777%0.77SS**  cis-178.2162.511.2-124.2-7.8000108.6
150T42.4Very low47Very low111 Ų111135 Ų13568%0.68176%0.763SS**  trans74.4134.1137.6-61.90000115.8
151T39.2Very low46.8Very low111 Ų111129.7 Ų129.768%0.68176%0.757SS**  cis-168.7168.613.91.20000104.9
152L42Very low46.3Very low149 Ų149125.9 Ų125.978%0.7875%0.751SS**  166.7139.965.2-121.3136.1000107.3
153A42Very low46.1Very low86 Ų86126.8 Ų126.871%0.71175%0.753SS**  trans60.7145.4147.900000119.7
154S43.3Very low45.8Very low100 Ų100125.4 Ų125.470%0.69975%0.751SS**  cis-171.3140.19.934.90000110.7
155S47.4Very low46Very low102 Ų102118.3 Ų118.371%0.71374%0.738SS**  trans54120.5132.8-39.50000122.3
156T45.6Very low45.9Very low120 Ų120118 Ų11874%0.73674%0.736SS**  162.8123.49739.80000115.2
157N52.5Low45.5Very low146 Ų146118.8 Ų118.878%0.78174%0.741SS**  trans71.4101.2134.1-54.2-16.6000124.1
158S48.1Very low45.9Very low112 Ų112119.2 Ų119.278%0.78375%0.749SS**  20.7170.8117.8-45.20000122.9
159P47Very low45.8Very low114 Ų114120.3 Ų120.374%0.7476%0.757SS**  cis-137.2-173.9-34.629.2-5.9000113.6
160V50.7Low46.4Very low124 Ų124126 Ų12675%0.75277%0.768SS**  trans146.4107.8130.7170.20000114.9
161T43.3Very low47.3Very low130 Ų130128 Ų12880%0.79877%0.769SS**  61112.5128.6-43.50000122.9
162T43.5Very low48.1Very low123 Ų123130.1 Ų130.176%0.75577%0.769SS**  trans-80.1126.9167.5-570000112.4
163T40Very low48Very low121 Ų121134.1 Ų134.174%0.74277%0.774SS**  trans50.6117.9134.9-40.30000120.9
164V52.3Low48.6Very low135 Ų135145.4 Ų145.482%0.81880%0.798SS**  trans-134.1111.2151-173.30000109.7
165S43.8Very low48.9Very low96 Ų96147.7 Ų147.767%0.67180%0.803SS**  trans47.2135.9134.5-37.30000123.2
166S48.3Very low49Very low106 Ų106150.1 Ų150.174%0.74181%0.808SS**  trans106.997.2133.871.40000119.9
167V46.1Very low49.2Very low139 Ų139151.8 Ų151.884%0.84281%0.812SS**  trans15.8122.1132.4-830000119.1
168T53.1Low49Very low142 Ų142152.1 Ų152.187%0.87181%0.814SS**  trans-134.3116.3147.353.20000110.6
169S49.9Very low49Very low124 Ų124154.6 Ų154.687%0.86782%0.816SS**  trans-71.7135.2164.5-65.60000109.3
170R53.8Low49.2Very low255 Ų255157.3 Ų157.396%0.96282%0.821SS**  trans-114.4105.7173.9-144.2175.7-172.6-177.82109.5
171E60.5Low49.1Very low152 Ų152159.7 Ų159.771%0.7183%0.826SS**  trans-95.4124.4178174.768.2-174.600109.4
172K57.8Low49.5Very low157 Ų157162 Ų16268%0.68383%0.828SS**  trans63.7116.9134.5-155158177.2178.80122.3
173R38Very low50Low232 Ų232165.3 Ų165.388%0.87583%0.834SS**  trans29.1113.4130.1-72.3176.3159153.3-5.8117.9
174R56.6Low50.9Low324 Ų324169.3 Ų169.3100%1.22384%0.842SS**  -150.30121-115.7-177.7178.8-160.9-0.3109.5

Retrieved 174 of 174 residues in 42.6 ms (Link to these results)