A0A077ZKU7_TRITR Loading...

INO80 complex subunit E N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZKU7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 179 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
1M51.3Low52.7Low246 Ų246138.2 Ų138.2100%1.21282%0.819SS**  0139.60-59.4167.5177.900107.3
2A56.1Low51.6Low91 Ų91135.1 Ų135.175%0.75281%0.809SS**  cis-165.9128.3-26.800000104.6
3E53Low51.4Low197 Ų197137.7 Ų137.792%0.92182%0.816SS**  trans-75.2143.2-178.2-59.7179.9148.700110.9
4T56.7Low51.1Low128 Ų128138.1 Ų138.179%0.78582%0.82SS**  trans-139.6119.2172.657.10000113.1
5S57Low50.4Low106 Ų106136.6 Ų136.674%0.74182%0.819SS**  trans51.390.7148.8-161.90000117.4
6S47.9Very low50.5Low107 Ų107133.2 Ų133.275%0.74881%0.811SS**  48.310479.181.60000114.5
7G52.6Low50.3Low79 Ų79132.6 Ų132.681%0.81481%0.81SS**  trans-115.361.5172.500000112M9G7-M9 PolarHBondContact O-N 3.16Å
8S46.9Very low50.4Low114 Ų114130.9 Ų130.980%0.79781%0.812SS**  trans-83.692.2179.8-177.20000111.1N10S8-N10 PolarHBondContact O-N 3.38Å
9M58.3Low50.9Low175 Ų175128.3 Ų128.386%0.86280%0.804SS**  trans-84.9102.7173.6-70.6-176.1108.800111.4G7G7-M9 PolarHBondContact O-N 3.16Å
10N49.6Very low51.6Low114 Ų114128 Ų12861%0.6180%0.804SS**  trans49111.4141.7-63.9-15.3000118.4S8S8-N10 PolarHBondContact O-N 3.38Å
11Q50.4Low52.1Low163 Ų163126.1 Ų126.176%0.76279%0.786SS**  6092.787.4-66.6176.590.500110.9
12S39.9Very low53.3Low101 Ų101117.7 Ų117.771%0.70675%0.749SS**  68.3100.177.474.40000113
13D49.2Very low54.5Low169 Ų169119.3 Ų119.390%0.90475%0.745SS**  trans-142.1126.1156.5-114.9-37.3000109.7
14V46.1Very low56.1Low143 Ų143118 Ų11887%0.86774%0.736SS**  trans-103.6113.1-177.7173.30000108
15S41.5Very low57.4Low116 Ų116115.7 Ų115.781%0.81172%0.716SS**  trans-156.3138168.1-152.50000116
16A51.2Low58.7Low82 Ų82115.8 Ų115.868%0.67870%0.703SS**  trans57.4128.6160.200000119.8
17P47.2Very low60.4Low124 Ų124117.8 Ų117.881%0.80570%0.695SS**  trans-64.5143.816130.9-33.9000109.4A19P17-A19 PolarHBondContact O-N 2.98Å
18A52.3Low62.1Low102 Ų102122.4 Ų122.484%0.84369%0.688SS**  trans-56.4111.4-175.100000111.7
19A59.5Low64Low80 Ų80119 Ų11966%0.66166%0.66SS**  trans-53.8135171.500000109P17 M21P17-A19 PolarHBondContact O-N 2.98Å; A19-M21 PolarHBondContact O-N 2.98Å
20P64.4Low65.5Low122 Ų122116.2 Ų116.279%0.79265%0.648SS**  trans-66.697.1-171.725.9-34.2000110T22P20-T22 PolarHBondContact O-N 3.01Å
21M63.5Low67.2Low90 Ų90117 Ų11744%0.44365%0.646SS.*  trans-43.8127.3-176.1-62.6-18080.200109.8A19 E25 K26 E29A19-M21 PolarHBondContact O-N 2.98Å; M21-E25 WeakPolarHBondContact CA-OE2 3.39Å; M21-E25 HydrophobicContact CB-CB 4.17Å; M21-E25 HydrophobicContact CE-CB 4.13Å; M21-K26 HydrophobicContact CB-CG 3.96Å; M21-K26 WeakPolarHBondContact O-CE 3.3Å; M21-K26 PolarHBondContact O-NZ 2.58Å; M21-E29 HydrophobicContact CE-CB 4.28Å
22T76Confident69Low68 Ų68114.8 Ų114.842%0.41763%0.634SS.*  trans-59.7152.2-178.376.40000109P20 K24 E25 K26P20-T22 PolarHBondContact O-N 3.01Å; T22-K24 PolarHBondContact O-N 2.99Å; T22-E25 WeakPolarHBondContact CB-OE1 3.11Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.19Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 WeakPolarHBondContact O-CA 3.49Å; T22-E25 WeakPolarHBondContact O-CB 3.49Å; T22-E25 PolarHBondContact O-N 2.79Å; T22-E25 PolarHBondContact OG1-N 3.24Å; T22-E25 PolarHBondContact OG1-OE1 2.84Å; T22-K26 PolarHBondContact O-N 3.48Å
23N81.6Confident71.2Confident125 Ų125117.6 Ų117.667%0.66863%0.629SS**Hα-helixtrans-60.1-21.8-179.2-67.1-11.6000112K26 Y27N23-K26 PolarHBondContact OD1-NZ 2.89Å; N23-Y27 WeakPolarHBondContact O-CB 3.37Å; N23-Y27 PolarHBondContact O-N 3.44Å; N23-Y27 VanDerWaalsContact O-N 3.16Å
24K85.3Confident73.1Confident171 Ų171116 Ų11674%0.74361%0.614SS**Hα-helixtrans-70.1-42.4168.9-63.2-179.6179.4178.30112.6T22 R28T22-K24 PolarHBondContact O-N 2.99Å; K24-R28 VanDerWaalsContact O-CG 3.3Å; K24-R28 WeakPolarHBondContact O-CG 3.44Å; K24-R28 PolarHBondContact O-N 2.95Å
25E84.5Confident74.8Confident78 Ų78117 Ų11736%0.36461%0.607SS.*Hα-helixtrans-66.1-43.7172.5-75.7124.6-121.500112.5M21 T22 Y27 R28 E29M21-E25 WeakPolarHBondContact CA-OE2 3.39Å; M21-E25 HydrophobicContact CB-CB 4.17Å; M21-E25 HydrophobicContact CE-CB 4.13Å; T22-E25 WeakPolarHBondContact CB-OE1 3.11Å; T22-E25 WeakPolarHBondContact CG2-OE1 3.19Å; T22-E25 PolarHBondContact N-OE2 3.05Å; T22-E25 WeakPolarHBondContact O-CA 3.49Å; T22-E25 WeakPolarHBondContact O-CB 3.49Å; T22-E25 PolarHBondContact O-N 2.79Å; T22-E25 PolarHBondContact OG1-N 3.24Å; T22-E25 PolarHBondContact OG1-OE1 2.84Å; E25-Y27 VanDerWaalsContact C-N 3.27Å; E25-Y27 PolarHBondContact O-N 3.34Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 VanDerWaalsContact O-N 3.09Å; E25-E29 WeakPolarHBondContact O-CB 3.47Å; E25-E29 PolarHBondContact O-N 2.91Å
26K83.9Confident76.8Confident108 Ų108117.6 Ų117.647%0.4760%0.595SS.*Hα-helixtrans-54.6-45.7175.3-67.3176.5-175.11500111M21 T22 N23 E29 L30M21-K26 HydrophobicContact CB-CG 3.96Å; M21-K26 WeakPolarHBondContact O-CE 3.3Å; M21-K26 PolarHBondContact O-NZ 2.58Å; T22-K26 PolarHBondContact O-N 3.48Å; N23-K26 PolarHBondContact OD1-NZ 2.89Å; K26-E29 PolarHBondContact O-N 2.99Å; K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 PolarHBondContact O-N 3.42Å
27Y85Confident78.5Confident149 Ų149118.2 Ų118.258%0.58459%0.586SS**Hα-helixtrans-65-42.5174.8177-114.9000113.1N23 E25 E29 K31N23-Y27 WeakPolarHBondContact O-CB 3.37Å; N23-Y27 PolarHBondContact O-N 3.44Å; N23-Y27 VanDerWaalsContact O-N 3.16Å; E25-Y27 VanDerWaalsContact C-N 3.27Å; E25-Y27 PolarHBondContact O-N 3.34Å; Y27-E29 VanDerWaalsContact C-N 3.33Å; Y27-E29 PolarHBondContact O-N 3.16Å; Y27-K31 VanDerWaalsContact O-CB 3.24Å; Y27-K31 WeakPolarHBondContact O-CB 3.3Å; Y27-K31 PolarHBondContact O-N 2.82Å
28R88.4Confident80.1Confident176 Ų176115.1 Ų115.166%0.66457%0.565SS**Hα-helixtrans-61.1-41.6175.5-74.1173.377.7-162.66.1111.9K24 E25 K31 K32K24-R28 VanDerWaalsContact O-CG 3.3Å; K24-R28 WeakPolarHBondContact O-CG 3.44Å; K24-R28 PolarHBondContact O-N 2.95Å; E25-R28 PolarHBondContact O-N 2.83Å; E25-R28 VanDerWaalsContact O-N 3.09Å; R28-K31 PolarHBondContact O-N 3.24Å; R28-K32 WeakPolarHBondContact O-CG 3.48Å; R28-K32 PolarHBondContact O-N 3.12Å; R28-K32 VanDerWaalsContact O-N 3.09Å
29E86.8Confident81.7Confident44 Ų44117.7 Ų117.721%0.20655%0.554CS.*Hα-helixtrans-70.7-45.8179.3-178.857.2-161.300111.6M21 E25 K26 Y27 K31 K32 R33M21-E29 HydrophobicContact CE-CB 4.28Å; E25-E29 WeakPolarHBondContact O-CB 3.47Å; E25-E29 PolarHBondContact O-N 2.91Å; K26-E29 PolarHBondContact O-N 2.99Å; Y27-E29 VanDerWaalsContact C-N 3.33Å; Y27-E29 PolarHBondContact O-N 3.16Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.98Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 2.97Å; E29-K32 VanDerWaalsContact O-N 3.11Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 2.69Å; E29-K32 PolarHBondContact OE2-NZ 3.09Å; E29-R33 WeakPolarHBondContact O-CG 3.24Å; E29-R33 PolarHBondContact O-N 3.37Å; E29-R33 IonicContact OE1-CZ 3.34Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 2.97Å; E29-R33 IonicContact OE1-NH2 2.97Å; E29-R33 PolarHBondContact OE1-NH2 3.49Å
30L89.4Confident82.7Confident115 Ų115118.1 Ų118.160%0.60254%0.542SS*.Hα-helixtrans-58-40.2172.6-176.161.3000111.5K26 K32 R33 F34K26-L30 VanDerWaalsContact O-CB 3.3Å; K26-L30 WeakPolarHBondContact O-CB 3.4Å; K26-L30 PolarHBondContact O-N 3.42Å; L30-K32 PolarHBondContact O-N 2.8Å; L30-R33 PolarHBondContact O-N 2.84Å; L30-F34 WeakPolarHBondContact O-CB 3.46Å; L30-F34 PolarHBondContact O-N 3.11Å
31K85Confident83.4Confident131 Ų131116.3 Ų116.357%0.5753%0.526SS*.Hα-helixtrans-65.7-34.2175.7-174.7168.6-178.1169.40113.3Y27 R28 E29 K35Y27-K31 VanDerWaalsContact O-CB 3.24Å; Y27-K31 WeakPolarHBondContact O-CB 3.3Å; Y27-K31 PolarHBondContact O-N 2.82Å; R28-K31 PolarHBondContact O-N 3.24Å; E29-K31 VanDerWaalsContact C-N 3.27Å; E29-K31 PolarHBondContact O-N 2.98Å; K31-K35 PolarHBondContact O-N 3.34Å
32K88.2Confident84.1Confident116 Ų116115.7 Ų115.750%0.50452%0.522SS..Hα-helixtrans-65.1-52169.7-65.9-179.7-149.7152.80110.7R28 E29 L30 F34 K35 F36R28-K32 WeakPolarHBondContact O-CG 3.48Å; R28-K32 PolarHBondContact O-N 3.12Å; R28-K32 VanDerWaalsContact O-N 3.09Å; E29-K32 WeakPolarHBondContact O-CB 3.3Å; E29-K32 PolarHBondContact O-N 2.97Å; E29-K32 VanDerWaalsContact O-N 3.11Å; E29-K32 WeakPolarHBondContact OE2-CE 3.48Å; E29-K32 IonicContact OE2-NZ 2.69Å; E29-K32 PolarHBondContact OE2-NZ 3.09Å; L30-K32 PolarHBondContact O-N 2.8Å; K32-F34 VanDerWaalsContact C-N 3.3Å; K32-F34 PolarHBondContact O-N 3.09Å; K32-K35 WeakPolarHBondContact O-CA 3.34Å; K32-K35 WeakPolarHBondContact O-CB 3.44Å; K32-K35 PolarHBondContact O-N 2.75Å; K32-F36 VanDerWaalsContact O-CD2 3.24Å; K32-F36 WeakPolarHBondContact O-CD2 3.44Å; K32-F36 PolarHBondContact O-N 3.49Å
33R86Confident84.2Confident160 Ų160118.1 Ų118.160%0.60453%0.527SS*.Hα-helixtrans-59.7-40.7-177.7-68.4-180-171-154.1-1111.7E29 L30 K35 F36 L37E29-R33 WeakPolarHBondContact O-CG 3.24Å; E29-R33 PolarHBondContact O-N 3.37Å; E29-R33 IonicContact OE1-CZ 3.34Å; E29-R33 IonicContact OE1-NE 2.8Å; E29-R33 PolarHBondContact OE1-NE 2.97Å; E29-R33 IonicContact OE1-NH2 2.97Å; E29-R33 PolarHBondContact OE1-NH2 3.49Å; L30-R33 PolarHBondContact O-N 2.84Å; R33-K35 PolarHBondContact O-N 3.3Å; R33-F36 PolarHBondContact O-N 2.88Å; R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 PolarHBondContact O-N 3.45Å
34F88.3Confident84.1Confident137 Ų137119.4 Ų119.460%0.60152%0.524SS*.Hα-helixtrans-61.5-41.7172.7-175.8-101.9000112.4L30 K32 F36 L37 V38L30-F34 WeakPolarHBondContact O-CB 3.46Å; L30-F34 PolarHBondContact O-N 3.11Å; K32-F34 VanDerWaalsContact C-N 3.3Å; K32-F34 PolarHBondContact O-N 3.09Å; F34-F36 VanDerWaalsContact C-N 3.34Å; F34-F36 PolarHBondContact O-N 3.45Å; F34-L37 PolarHBondContact O-N 2.95Å; F34-V38 HydrophobicContact CD1-CG2 4.3Å; F34-V38 HydrophobicContact CE1-CG2 3.89Å; F34-V38 HydrophobicContact CE2-CG2 4.22Å; F34-V38 HydrophobicContact CZ-CG2 3.85Å; F34-V38 WeakPolarHBondContact O-CG2 3.36Å; F34-V38 PolarHBondContact O-N 3.26Å
35K82.9Confident83.9Confident164 Ų164113.6 Ų113.671%0.71350%0.499SS*.Hα-helixtrans-61.5-41.2174.5-172-174.6176.3-172.30112.1K31 K32 R33 Y39K31-K35 PolarHBondContact O-N 3.34Å; K32-K35 WeakPolarHBondContact O-CA 3.34Å; K32-K35 WeakPolarHBondContact O-CB 3.44Å; K32-K35 PolarHBondContact O-N 2.75Å; R33-K35 PolarHBondContact O-N 3.3Å; K35-Y39 PolarHBondContact O-N 3.38Å; K35-Y39 VanDerWaalsContact O-N 3.14Å
36F83.3Confident83.8Confident127 Ų127113.1 Ų113.156%0.55750%0.497SS*.Hα-helixtrans-66.2-48.2174.6-73.7-67.6000111.9K32 R33 F34 V38 Y39 E40K32-F36 VanDerWaalsContact O-CD2 3.24Å; K32-F36 WeakPolarHBondContact O-CD2 3.44Å; K32-F36 PolarHBondContact O-N 3.49Å; R33-F36 PolarHBondContact O-N 2.88Å; F34-F36 VanDerWaalsContact C-N 3.34Å; F34-F36 PolarHBondContact O-N 3.45Å; F36-V38 VanDerWaalsContact C-N 3.27Å; F36-V38 PolarHBondContact O-N 3.34Å; F36-Y39 CarbonylContact O-C 3.54Å; F36-Y39 WeakPolarHBondContact O-CA 3.33Å; F36-Y39 WeakPolarHBondContact O-CB 3.4Å; F36-Y39 PolarHBondContact O-N 3.31Å; F36-E40 WeakPolarHBondContact O-CG 3.47Å; F36-E40 PolarHBondContact O-N 3Å
37L86.3Confident83.8Confident95 Ų95110.9 Ų110.950%0.49749%0.488SS..Hα-helixtrans-59.6-35.7179.7-175.865.3000112.9R33 F34 N41R33-L37 WeakPolarHBondContact O-CB 3.47Å; R33-L37 PolarHBondContact O-N 3.45Å; F34-L37 PolarHBondContact O-N 2.95Å; L37-N41 WeakPolarHBondContact O-CB 3.38Å; L37-N41 PolarHBondContact O-N 3.29Å
38V82Confident83.5Confident60 Ų60109.3 Ų109.336%0.36449%0.489SS..Hα-helixtrans-67.2-46.8171.7170.20000110.9F34 F36 E40 N41 E42F34-V38 HydrophobicContact CD1-CG2 4.3Å; F34-V38 HydrophobicContact CE1-CG2 3.89Å; F34-V38 HydrophobicContact CE2-CG2 4.22Å; F34-V38 HydrophobicContact CZ-CG2 3.85Å; F34-V38 WeakPolarHBondContact O-CG2 3.36Å; F34-V38 PolarHBondContact O-N 3.26Å; F36-V38 VanDerWaalsContact C-N 3.27Å; F36-V38 PolarHBondContact O-N 3.34Å; V38-E40 PolarHBondContact O-N 2.83Å; V38-N41 PolarHBondContact O-N 2.8Å; V38-E42 WeakPolarHBondContact O-CG 3.24Å; V38-E42 PolarHBondContact O-N 3.26Å
39Y85.9Confident82.9Confident156 Ų156104.8 Ų104.861%0.61247%0.472SS*.Hα-helixtrans-61.1-43.8177.5174.1-99.7000112.4K35 F36 E42 F43K35-Y39 PolarHBondContact O-N 3.38Å; K35-Y39 VanDerWaalsContact O-N 3.14Å; F36-Y39 CarbonylContact O-C 3.54Å; F36-Y39 WeakPolarHBondContact O-CA 3.33Å; F36-Y39 WeakPolarHBondContact O-CB 3.4Å; F36-Y39 PolarHBondContact O-N 3.31Å; Y39-E42 PolarHBondContact O-N 3.25Å; Y39-F43 WeakPolarHBondContact O-CB 3.47Å; Y39-F43 PolarHBondContact O-N 3Å
40E79.8Confident82.5Confident88 Ų88104.8 Ų104.841%0.41147%0.473SS..Hα-helixtrans-61.7-42174.8-71.9169175.400111.4F36 V38 F43 Y44F36-E40 WeakPolarHBondContact O-CG 3.47Å; F36-E40 PolarHBondContact O-N 3Å; V38-E40 PolarHBondContact O-N 2.83Å; E40-F43 PolarHBondContact O-N 3.46Å; E40-Y44 HydrophobicContact CB-CD2 4.44Å; E40-Y44 HydrophobicContact CB-CE2 4.18Å; E40-Y44 WeakPolarHBondContact O-CD2 3.17Å; E40-Y44 PolarHBondContact O-N 3.02Å
41N79.3Confident82.1Confident84 Ų84103.8 Ų103.845%0.44947%0.468SS..Hα-helixtrans-59.7-49175.2-113.5-92.3000112.5L37 V38 F43 Y44 Q45L37-N41 WeakPolarHBondContact O-CB 3.38Å; L37-N41 PolarHBondContact O-N 3.29Å; V38-N41 PolarHBondContact O-N 2.8Å; N41-F43 VanDerWaalsContact C-N 3.29Å; N41-F43 PolarHBondContact O-N 3.5Å; N41-Y44 PolarHBondContact O-N 2.97Å; N41-Q45 WeakPolarHBondContact O-CB 3.4Å; N41-Q45 VanDerWaalsContact O-CG 3.22Å; N41-Q45 WeakPolarHBondContact O-CG 3.33Å; N41-Q45 PolarHBondContact O-N 3.21Å; N41-Q45 PolarHBondContact O-NE2 3Å
42E77.7Confident81.7Confident78 Ų78101.7 Ų101.736%0.36446%0.46SS..Hα-helixtrans-64.1-36.9178.2-61.1-67.598.500111.4V38 Y39 Q45 E46 R87V38-E42 WeakPolarHBondContact O-CG 3.24Å; V38-E42 PolarHBondContact O-N 3.26Å; Y39-E42 PolarHBondContact O-N 3.25Å; E42-Q45 PolarHBondContact O-N 3.47Å; E42-E46 PolarHBondContact O-N 3.23Å; E42-R87 IonicContact OE1-CZ 3.5Å; E42-R87 IonicContact OE1-NE 3.4Å; E42-R87 IonicContact OE1-NH2 2.95Å; E42-R87 PolarHBondContact OE1-NH2 3.15Å; E42-R87 IonicContact OE2-NH2 2.75Å; E42-R87 PolarHBondContact OE2-NH2 3.37Å
43F79.6Confident81Confident119 Ų119100.9 Ų100.952%0.52245%0.454SS..Hα-helixtrans-65-47.2176.3-176.9-95.2000112.2Y39 E40 N41 Q45 E46 E47Y39-F43 WeakPolarHBondContact O-CB 3.47Å; Y39-F43 PolarHBondContact O-N 3Å; E40-F43 PolarHBondContact O-N 3.46Å; N41-F43 VanDerWaalsContact C-N 3.29Å; N41-F43 PolarHBondContact O-N 3.5Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 3.03Å; F43-E46 PolarHBondContact O-N 2.85Å; F43-E47 PolarHBondContact O-N 3.25Å
44Y79.2Confident80.5Confident151 Ų15198.1 Ų98.159%0.59245%0.447SS*.Hα-helixtrans-63.5-38.3174.8-70.9-55.6000112E40 N41 L48E40-Y44 HydrophobicContact CB-CD2 4.44Å; E40-Y44 HydrophobicContact CB-CE2 4.18Å; E40-Y44 WeakPolarHBondContact O-CD2 3.17Å; E40-Y44 PolarHBondContact O-N 3.02Å; N41-Y44 PolarHBondContact O-N 2.97Å; Y44-L48 VanDerWaalsContact O-CB 3.28Å; Y44-L48 WeakPolarHBondContact O-CB 3.38Å; Y44-L48 VanDerWaalsContact O-CG 3.23Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.02Å
45Q80.8Confident79.9Confident49 Ų4997.4 Ų97.423%0.22945%0.448CS..Hα-helixtrans-64.3-41.3174.9-72.317045.900112.2N41 E42 F43 R49 F83N41-Q45 WeakPolarHBondContact O-CB 3.4Å; N41-Q45 VanDerWaalsContact O-CG 3.22Å; N41-Q45 WeakPolarHBondContact O-CG 3.33Å; N41-Q45 PolarHBondContact O-N 3.21Å; N41-Q45 PolarHBondContact O-NE2 3Å; E42-Q45 PolarHBondContact O-N 3.47Å; F43-Q45 VanDerWaalsContact C-N 3.33Å; F43-Q45 PolarHBondContact O-N 3.03Å; Q45-R49 VanDerWaalsContact O-CB 3.25Å; Q45-R49 WeakPolarHBondContact O-CB 3.44Å; Q45-R49 PolarHBondContact O-N 2.95Å; Q45-F83 VanDerWaalsContact OE1-CE2 3.22Å
46E81.2Confident78.9Confident69 Ų6992.3 Ų92.332%0.32243%0.428SS..Hα-helixtrans-71.5-37.2177.4-177.257.6-161.500112.4E42 F43 R49 N50 R53E42-E46 PolarHBondContact O-N 3.23Å; F43-E46 PolarHBondContact O-N 2.85Å; E46-R49 CarbonylContact O-C 3.59Å; E46-R49 WeakPolarHBondContact O-CB 3.43Å; E46-R49 PolarHBondContact O-N 3.47Å; E46-R49 WeakPolarHBondContact OE2-CD 3.32Å; E46-R49 IonicContact OE2-CZ 3.73Å; E46-R49 IonicContact OE2-NE 2.72Å; E46-R49 IonicContact OE2-NH1 3.97Å; E46-R49 PolarHBondContact OE2-NH1 3.41Å; E46-N50 PolarHBondContact O-N 3.37Å; E46-R53 VanDerWaalsContact CD-NH2 3.33Å; E46-R53 IonicContact OE1-CZ 2.68Å; E46-R53 IonicContact OE1-NH1 3.56Å; E46-R53 PolarHBondContact OE1-NH1 3.41Å; E46-R53 IonicContact OE1-NH2 2.65Å; E46-R53 PolarHBondContact OE1-NH2 3.38Å; E46-R53 IonicContact OE2-NH2 3.96Å
47E84.3Confident77.9Confident60 Ų6092.7 Ų92.728%0.2843%0.429SS..Hα-helixtrans-74.8-33.2175.8-168.153-146.300112.6F43 R49 N50 L51 K54F43-E47 PolarHBondContact O-N 3.25Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 3.42Å; E47-N50 CarbonylContact O-C 3.58Å; E47-N50 WeakPolarHBondContact O-CB 3.01Å; E47-N50 PolarHBondContact O-N 2.93Å; E47-N50 VanDerWaalsContact O-N 3.17Å; E47-N50 WeakPolarHBondContact OE2-CB 3.23Å; E47-N50 PolarHBondContact OE2-ND2 3.34Å; E47-L51 HydrophobicContact CG-CD1 4.34Å; E47-L51 HydrophobicContact CG-CG 4.43Å; E47-L51 WeakPolarHBondContact O-CB 3.41Å; E47-L51 WeakPolarHBondContact O-CG 3.43Å; E47-L51 PolarHBondContact O-N 2.99Å; E47-K54 IonicContact OE1-NZ 3.61Å; E47-K54 PolarHBondContact OE1-NZ 3.14Å; E47-K54 IonicContact OE2-NZ 3.87Å
48L78.5Confident76.6Confident116 Ų11693.8 Ų93.861%0.60744%0.435SS*.Hα-helixtrans-60.1-42.7166.2-75.9170.3000110.9Y44 N50 L51 Q52Y44-L48 VanDerWaalsContact O-CB 3.28Å; Y44-L48 WeakPolarHBondContact O-CB 3.38Å; Y44-L48 VanDerWaalsContact O-CG 3.23Å; Y44-L48 WeakPolarHBondContact O-CG 3.22Å; Y44-L48 PolarHBondContact O-N 3.02Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.24Å; L48-L51 PolarHBondContact O-N 3.35Å; L48-Q52 VanDerWaalsContact O-CB 3.29Å; L48-Q52 WeakPolarHBondContact O-CB 3.28Å; L48-Q52 PolarHBondContact O-N 2.88Å
49R77.1Confident75.5Confident81 Ų8193.1 Ų93.131%0.30643%0.433SS..Hα-helixtrans-64-34.8174-166.3-175.3-67.1138.1-3.2111.6Q45 E46 E47 R53Q45-R49 VanDerWaalsContact O-CB 3.25Å; Q45-R49 WeakPolarHBondContact O-CB 3.44Å; Q45-R49 PolarHBondContact O-N 2.95Å; E46-R49 CarbonylContact O-C 3.59Å; E46-R49 WeakPolarHBondContact O-CB 3.43Å; E46-R49 PolarHBondContact O-N 3.47Å; E46-R49 WeakPolarHBondContact OE2-CD 3.32Å; E46-R49 IonicContact OE2-CZ 3.73Å; E46-R49 IonicContact OE2-NE 2.72Å; E46-R49 IonicContact OE2-NH1 3.97Å; E46-R49 PolarHBondContact OE2-NH1 3.41Å; E47-R49 VanDerWaalsContact C-N 3.31Å; E47-R49 PolarHBondContact O-N 3.42Å; R49-R53 WeakPolarHBondContact O-CB 3.48Å; R49-R53 VanDerWaalsContact O-CG 3.3Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å; R49-R53 PolarHBondContact O-N 3.29Å; R49-R53 PolarHBondContact O-NE 2.92Å
50N77.1Confident74.2Confident44 Ų4491.4 Ų91.424%0.23543%0.425CS..Hα-helixtrans-67.6-48.4172.5-81.5-32.3000111.6E46 E47 L48 R53 K54E46-N50 PolarHBondContact O-N 3.37Å; E47-N50 CarbonylContact O-C 3.58Å; E47-N50 WeakPolarHBondContact O-CB 3.01Å; E47-N50 PolarHBondContact O-N 2.93Å; E47-N50 VanDerWaalsContact O-N 3.17Å; E47-N50 WeakPolarHBondContact OE2-CB 3.23Å; E47-N50 PolarHBondContact OE2-ND2 3.34Å; L48-N50 VanDerWaalsContact C-N 3.32Å; L48-N50 PolarHBondContact O-N 3.24Å; N50-R53 CarbonylContact O-C 3.5Å; N50-R53 PolarHBondContact O-N 2.87Å; N50-R53 VanDerWaalsContact OD1-CZ 3.24Å; N50-R53 PolarHBondContact OD1-NH2 3.44Å; N50-K54 WeakPolarHBondContact O-CB 3.35Å; N50-K54 WeakPolarHBondContact O-CD 3.39Å; N50-K54 WeakPolarHBondContact O-CG 3.38Å; N50-K54 PolarHBondContact O-N 3.05Å
51L80.9Confident73.1Confident94 Ų9493.3 Ų93.349%0.49244%0.438SS..Hα-helixtrans-62.7-41.5178.2-70.4168.8000111.5E47 L48 K54 L55E47-L51 HydrophobicContact CG-CD1 4.34Å; E47-L51 HydrophobicContact CG-CG 4.43Å; E47-L51 WeakPolarHBondContact O-CB 3.41Å; E47-L51 WeakPolarHBondContact O-CG 3.43Å; E47-L51 PolarHBondContact O-N 2.99Å; L48-L51 PolarHBondContact O-N 3.35Å; L51-K54 HydrophobicContact CD2-CD 4.2Å; L51-K54 PolarHBondContact O-N 3.26Å; L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 PolarHBondContact O-N 2.95Å
52Q76.8Confident72.1Confident87 Ų8799.6 Ų99.641%0.40746%0.456SS..Hα-helixtrans-60.5-46.3171.8-172.1178.94.500111.4L48 L55 M56L48-Q52 VanDerWaalsContact O-CB 3.29Å; L48-Q52 WeakPolarHBondContact O-CB 3.28Å; L48-Q52 PolarHBondContact O-N 2.88Å; Q52-L55 PolarHBondContact O-N 2.72Å; Q52-M56 HydrophobicContact CG-SD 4.08Å; Q52-M56 WeakPolarHBondContact O-CB 3.44Å; Q52-M56 VanDerWaalsContact O-CG 3.25Å; Q52-M56 WeakPolarHBondContact O-CG 3.43Å; Q52-M56 PolarHBondContact O-N 3.43Å
53R73.2Confident71.2Confident100 Ų100102.8 Ų102.838%0.37747%0.469SS..Hα-helixtrans-61.5-42.7173.8-79.7173.2-72.1-176.2-7.9112.6E46 R49 N50 M56 K57E46-R53 VanDerWaalsContact CD-NH2 3.33Å; E46-R53 IonicContact OE1-CZ 2.68Å; E46-R53 IonicContact OE1-NH1 3.56Å; E46-R53 PolarHBondContact OE1-NH1 3.41Å; E46-R53 IonicContact OE1-NH2 2.65Å; E46-R53 PolarHBondContact OE1-NH2 3.38Å; E46-R53 IonicContact OE2-NH2 3.96Å; R49-R53 WeakPolarHBondContact O-CB 3.48Å; R49-R53 VanDerWaalsContact O-CG 3.3Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å; R49-R53 PolarHBondContact O-N 3.29Å; R49-R53 PolarHBondContact O-NE 2.92Å; N50-R53 CarbonylContact O-C 3.5Å; N50-R53 PolarHBondContact O-N 2.87Å; N50-R53 VanDerWaalsContact OD1-CZ 3.24Å; N50-R53 PolarHBondContact OD1-NH2 3.44Å; R53-M56 PolarHBondContact O-N 2.87Å; R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 3.24Å
54K77.2Confident69.9Low102 Ų102107.2 Ų107.244%0.44348%0.483SS..Hα-helixtrans-62.1-47.4177.2-70.6159.8-174.1171.80110.5E47 N50 L51 K57 L58E47-K54 IonicContact OE1-NZ 3.61Å; E47-K54 PolarHBondContact OE1-NZ 3.14Å; E47-K54 IonicContact OE2-NZ 3.87Å; N50-K54 WeakPolarHBondContact O-CB 3.35Å; N50-K54 WeakPolarHBondContact O-CD 3.39Å; N50-K54 WeakPolarHBondContact O-CG 3.38Å; N50-K54 PolarHBondContact O-N 3.05Å; L51-K54 HydrophobicContact CD2-CD 4.2Å; L51-K54 PolarHBondContact O-N 3.26Å; K54-K57 PolarHBondContact O-N 3.49Å; K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 3.37Å
55L73.9Confident68.7Low121 Ų121106.8 Ų106.863%0.63449%0.491SS*.Hα-helixtrans-65.1-41177-177.963.1000112.5L51 Q52 K57 L58 S59L51-L55 VanDerWaalsContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CB 3.39Å; L51-L55 PolarHBondContact O-N 2.95Å; Q52-L55 PolarHBondContact O-N 2.72Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.43Å; L55-L58 PolarHBondContact O-N 2.9Å; L55-S59 WeakPolarHBondContact O-CB 3.32Å; L55-S59 PolarHBondContact O-N 2.99Å
56M63.1Low67.6Low57 Ų57112 Ų11228%0.28151%0.514SS..Hα-helixtrans-66.1-33.1175.2-73.6176.874.800112.4Q52 R53 R60Q52-M56 HydrophobicContact CG-SD 4.08Å; Q52-M56 WeakPolarHBondContact O-CB 3.44Å; Q52-M56 VanDerWaalsContact O-CG 3.25Å; Q52-M56 WeakPolarHBondContact O-CG 3.43Å; Q52-M56 PolarHBondContact O-N 3.43Å; R53-M56 PolarHBondContact O-N 2.87Å; M56-R60 WeakPolarHBondContact O-CD 3.29Å; M56-R60 WeakPolarHBondContact O-CG 3.19Å; M56-R60 PolarHBondContact O-N 2.88Å
57K63Low66.7Low136 Ų136114.8 Ų114.859%0.59154%0.535SS*.Hα-helixtrans-65.5-54.1170.2-73.9175.1177.4-170.70111.2R53 K54 L55 S59 R60 D61R53-K57 WeakPolarHBondContact O-CG 3.42Å; R53-K57 PolarHBondContact O-N 3.24Å; K54-K57 PolarHBondContact O-N 3.49Å; L55-K57 VanDerWaalsContact C-N 3.33Å; L55-K57 PolarHBondContact O-N 3.43Å; K57-S59 PolarHBondContact O-N 3.46Å; K57-S59 VanDerWaalsContact O-N 3.13Å; K57-R60 WeakPolarHBondContact O-CA 3.25Å; K57-R60 WeakPolarHBondContact O-CB 3.4Å; K57-R60 PolarHBondContact O-N 2.93Å; K57-D61 PolarHBondContact O-N 2.91Å; K57-D61 VanDerWaalsContact O-N 3.11Å
58L58.8Low65.6Low117 Ų117115.7 Ų115.761%0.61355%0.546SS*.Hα-helixtrans-59.4-27.7178-67.6170.3000113.5K54 L55K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 3.37Å; L55-L58 PolarHBondContact O-N 2.9Å
59S59.1Low64.8Low47 Ų47113.1 Ų113.133%0.32953%0.533SS..Hα-helixtrans-82-15.3172.2-176.30000114.3L55 K57 K63L55-S59 WeakPolarHBondContact O-CB 3.32Å; L55-S59 PolarHBondContact O-N 2.99Å; K57-S59 PolarHBondContact O-N 3.46Å; K57-S59 VanDerWaalsContact O-N 3.13Å; S59-K63 WeakPolarHBondContact O-CD 3.35Å; S59-K63 PolarHBondContact OG-NZ 3.44Å
60R57.3Low64.2Low119 Ų119119.4 Ų119.445%0.44956%0.557SS.*Hα-helixtrans-81.1-42.5171.8-74.5163.3178.5-170-3.5109.9M56 K57 R62 K63 E73M56-R60 WeakPolarHBondContact O-CD 3.29Å; M56-R60 WeakPolarHBondContact O-CG 3.19Å; M56-R60 PolarHBondContact O-N 2.88Å; K57-R60 WeakPolarHBondContact O-CA 3.25Å; K57-R60 WeakPolarHBondContact O-CB 3.4Å; K57-R60 PolarHBondContact O-N 2.93Å; R60-R62 PolarHBondContact O-N 2.83Å; R60-K63 PolarHBondContact O-N 3.33Å; R60-K63 VanDerWaalsContact O-N 3.15Å; R60-E73 IonicContact NH2-OE1 3.59Å; R60-E73 PolarHBondContact NH2-OE1 3.49Å
61D56.2Low63.8Low128 Ų128119.6 Ų119.668%0.68456%0.564SS**THydrogen-bonded Turntrans-66.75.2-178.7-52.5-31.1000115.1K57K57-D61 PolarHBondContact O-N 2.91Å; K57-D61 VanDerWaalsContact O-N 3.11Å
62R59.6Low63.1Low216 Ų216117.5 Ų117.582%0.81556%0.557SS**THydrogen-bonded Turntrans-126.3-3.7-178.9-76.2-68.3-157149.55.5114R60R60-R62 PolarHBondContact O-N 2.83Å
63K57.9Low62.7Low145 Ų145117.5 Ų117.563%0.6356%0.557SS**  trans-136.3100.5-166.9-66.9178.6-174.3163.20111.8S59 R60S59-K63 WeakPolarHBondContact O-CD 3.35Å; S59-K63 PolarHBondContact OG-NZ 3.44Å; R60-K63 PolarHBondContact O-N 3.33Å; R60-K63 VanDerWaalsContact O-N 3.15Å
64Y52.6Low62.7Low213 Ų213118.3 Ų118.384%0.83557%0.568SS**  trans-61.8-179.1154.2-59.7-88.9000109.7
65D53.6Low62.7Low142 Ų142118.9 Ų118.976%0.75958%0.575SS**  trans7722.7174.9-43.6-29.1000117.9T67D65-T67 PolarHBondContact O-N 3.47Å; D65-T67 PolarHBondContact O-OG1 3.28Å
66F58.4Low62.7Low159 Ų159116.8 Ų116.870%0.69756%0.561SS**  trans37.1-31.7145.6-158.1-109.7000123.2P68 L69F66-P68 VanDerWaalsContact C-CD 3.46Å; F66-L69 HydrophobicContact CE2-CD2 4.02Å; F66-L69 HydrophobicContact CZ-CD2 4.39Å; F66-L69 WeakPolarHBondContact O-CB 3.31Å; F66-L69 PolarHBondContact O-N 2.79Å
67T61.8Low63.5Low127 Ų127119 Ų11978%0.77957%0.574SS**THydrogen-bonded Turntrans-58.8-35.7-171.253.70000117.6D65 L69D65-T67 PolarHBondContact O-N 3.47Å; D65-T67 PolarHBondContact O-OG1 3.28Å; T67-L69 PolarHBondContact O-N 2.92Å
68P61.6Low64.4Low78 Ų78118.1 Ų118.151%0.50658%0.575SS.*THydrogen-bonded Turntrans-77.9-4.6-176.231.7-36.6000114.1F66 W70 A71 C72F66-P68 VanDerWaalsContact C-CD 3.46Å; P68-W70 PolarHBondContact O-N 2.94Å; P68-A71 WeakPolarHBondContact O-CB 3.32Å; P68-A71 PolarHBondContact O-N 2.77Å; P68-A71 VanDerWaalsContact O-N 3.15Å; P68-C72 PolarHBondContact O-N 3.17Å; P68-C72 PolarHBondContact O-SG 2.93Å
69L61.1Low65.2Low63 Ų63118.8 Ų118.833%0.3357%0.573SS.*Hα-helixtrans-60.7-44.2-169.1-170.762.5000113.1F66 T67 C72 E73F66-L69 HydrophobicContact CE2-CD2 4.02Å; F66-L69 HydrophobicContact CZ-CD2 4.39Å; F66-L69 WeakPolarHBondContact O-CB 3.31Å; F66-L69 PolarHBondContact O-N 2.79Å; T67-L69 PolarHBondContact O-N 2.92Å; L69-C72 WeakPolarHBondContact O-CB 3.34Å; L69-C72 PolarHBondContact O-N 3.3Å; L69-E73 PolarHBondContact O-N 2.68Å
70W65.3Low66.1Low212 Ų212120.3 Ų120.380%0.80358%0.577SS**Hα-helixtrans-67.7-34177.1-72.481.3000112.9P68 E73 L74P68-W70 PolarHBondContact O-N 2.94Å; W70-E73 PolarHBondContact O-N 3.48Å; W70-L74 WeakPolarHBondContact O-CB 3.45Å; W70-L74 PolarHBondContact O-N 2.9Å
71A69.3Low67.1Low48 Ų48119.6 Ų119.640%0.39758%0.581SS.*Hα-helixtrans-67.3-39.5174.900000111.2P68 L74 I75P68-A71 WeakPolarHBondContact O-CB 3.32Å; P68-A71 PolarHBondContact O-N 2.77Å; P68-A71 VanDerWaalsContact O-N 3.15Å; A71-L74 PolarHBondContact O-N 3.49Å; A71-I75 WeakPolarHBondContact O-CB 3.4Å; A71-I75 WeakPolarHBondContact O-CD1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.17Å; A71-I75 PolarHBondContact O-N 3.33Å
72C65.7Low68.1Low51 Ų51116.9 Ų116.935%0.34557%0.572SS.*Hα-helixtrans-60.4-45.4174.4-71.20000112.5P68 L69 I75 F76P68-C72 PolarHBondContact O-N 3.17Å; P68-C72 PolarHBondContact O-SG 2.93Å; L69-C72 WeakPolarHBondContact O-CB 3.34Å; L69-C72 PolarHBondContact O-N 3.3Å; C72-I75 PolarHBondContact O-N 2.96Å; C72-F76 VanDerWaalsContact O-CB 3.25Å; C72-F76 WeakPolarHBondContact O-CB 3.42Å; C72-F76 PolarHBondContact O-N 3.39Å
73E68.7Low68.8Low87 Ų87109.7 Ų109.741%0.40755%0.547SS..Hα-helixtrans-65.7-42177.2-64-57.8140.800111.7R60 L69 W70 I75 F76 L77R60-E73 IonicContact NH2-OE1 3.59Å; R60-E73 PolarHBondContact NH2-OE1 3.49Å; L69-E73 PolarHBondContact O-N 2.68Å; W70-E73 PolarHBondContact O-N 3.48Å; E73-I75 PolarHBondContact O-N 2.95Å; E73-F76 PolarHBondContact O-N 2.89Å; E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 2.9Å
74L73.5Confident69.4Low116 Ų116107.7 Ų107.761%0.60754%0.543SS*.Hα-helixtrans-61.4-46.1175.8-16584000111.8W70 A71 F76 L77 L78W70-L74 WeakPolarHBondContact O-CB 3.45Å; W70-L74 PolarHBondContact O-N 2.9Å; A71-L74 PolarHBondContact O-N 3.49Å; L74-F76 VanDerWaalsContact C-N 3.34Å; L74-L77 PolarHBondContact O-N 3.41Å; L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 PolarHBondContact O-N 2.65Å
75I77.5Confident70.5Confident115 Ų115102.7 Ų102.759%0.5953%0.53SS*.Hα-helixtrans-64.3-39.5177.8-69.7164.7000110.9A71 C72 E73 L78 F79A71-I75 WeakPolarHBondContact O-CB 3.4Å; A71-I75 WeakPolarHBondContact O-CD1 3.25Å; A71-I75 WeakPolarHBondContact O-CG1 3.17Å; A71-I75 PolarHBondContact O-N 3.33Å; C72-I75 PolarHBondContact O-N 2.96Å; E73-I75 PolarHBondContact O-N 2.95Å; I75-L78 PolarHBondContact O-N 2.78Å; I75-F79 WeakPolarHBondContact O-CB 3.25Å; I75-F79 PolarHBondContact O-N 3.48Å
76F72.7Confident71.6Confident76 Ų76100.9 Ų100.933%0.33352%0.52SS..Hα-helixtrans-63.4-44.7176.7-177.5-100.4000111.8C72 E73 L74 F79 L80C72-F76 VanDerWaalsContact O-CB 3.25Å; C72-F76 WeakPolarHBondContact O-CB 3.42Å; C72-F76 PolarHBondContact O-N 3.39Å; E73-F76 PolarHBondContact O-N 2.89Å; L74-F76 VanDerWaalsContact C-N 3.34Å; F76-F79 PolarHBondContact O-N 2.88Å; F76-L80 VanDerWaalsContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CB 3.35Å; F76-L80 PolarHBondContact O-N 3.31Å
77L79.2Confident71.9Confident104 Ų10497.2 Ų97.255%0.54550%0.502SS..Hα-helixtrans-63.5-39.5174.1-70.5170.6000112.4E73 L74 L80 L81E73-L77 WeakPolarHBondContact O-CG 3.28Å; E73-L77 PolarHBondContact O-N 2.9Å; L74-L77 PolarHBondContact O-N 3.41Å; L77-L80 PolarHBondContact O-N 3.43Å; L77-L81 VanDerWaalsContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 PolarHBondContact O-N 3.3Å
78L82.4Confident72Confident117 Ų11796.1 Ų96.161%0.61349%0.491SS*.Hα-helixtrans-67.6-40.2178.8-142.6160.6000111.4L74 I75 S82L74-L78 WeakPolarHBondContact O-CB 3.38Å; L74-L78 PolarHBondContact O-N 2.65Å; I75-L78 PolarHBondContact O-N 2.78Å; L78-S82 WeakPolarHBondContact O-CB 3.5Å; L78-S82 PolarHBondContact O-N 3.4Å
79F75.6Confident72Confident131 Ų13196.6 Ų96.658%0.57549%0.488SS*.Hα-helixtrans-66.1-44172.8-174.9-100.3000112I75 F76 L81 S82 F83I75-F79 WeakPolarHBondContact O-CB 3.25Å; I75-F79 PolarHBondContact O-N 3.48Å; F76-F79 PolarHBondContact O-N 2.88Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 2.77Å; F79-S82 PolarHBondContact O-N 3.05Å; F79-F83 WeakPolarHBondContact O-CB 3.5Å; F79-F83 PolarHBondContact O-N 3.04Å
80L77.9Confident71.6Confident79 Ų79100.5 Ų100.541%0.41451%0.507SS..Hα-helixtrans-61.6-41.4176.4-175.665.5000111.9F76 L77 F83 L84F76-L80 VanDerWaalsContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CB 3.35Å; F76-L80 PolarHBondContact O-N 3.31Å; L77-L80 PolarHBondContact O-N 3.43Å; L80-F83 PolarHBondContact O-N 2.69Å; L80-L84 WeakPolarHBondContact O-CB 3.46Å; L80-L84 PolarHBondContact O-N 2.83Å
81L79.6Confident70.8Confident104 Ų10498 Ų9855%0.54550%0.502SS..Hα-helixtrans-64.7-42.5174.8-177.164.5000111.6L77 F79 L84 L85L77-L81 VanDerWaalsContact O-CB 3.32Å; L77-L81 WeakPolarHBondContact O-CB 3.3Å; L77-L81 PolarHBondContact O-N 3.3Å; F79-L81 VanDerWaalsContact C-N 3.34Å; F79-L81 PolarHBondContact O-N 2.77Å; L81-L84 PolarHBondContact O-N 3.22Å; L81-L85 HydrophobicContact CG-CD1 4.21Å; L81-L85 WeakPolarHBondContact O-CB 3.4Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.87Å
82S76.8Confident70.3Confident71 Ų71102.8 Ų102.850%0.49752%0.516SS..Hα-helixtrans-64.6-39.8176-166.70000112.4L78 F79 L85 D86L78-S82 WeakPolarHBondContact O-CB 3.5Å; L78-S82 PolarHBondContact O-N 3.4Å; F79-S82 PolarHBondContact O-N 3.05Å; S82-L85 PolarHBondContact O-N 3.47Å; S82-D86 PolarHBondContact O-N 2.86Å
83F73.7Confident69Low65 Ų65109.6 Ų109.629%0.28554%0.535SS..Hα-helixtrans-64.2-44.1174.4172.4-97.8000111.6Q45 F79 L80 L85 D86 R87Q45-F83 VanDerWaalsContact OE1-CE2 3.22Å; F79-F83 WeakPolarHBondContact O-CB 3.5Å; F79-F83 PolarHBondContact O-N 3.04Å; L80-F83 PolarHBondContact O-N 2.69Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3.5Å; F83-D86 PolarHBondContact O-N 2.85Å; F83-R87 HydrophobicContact CE1-CG 4.41Å; F83-R87 HydrophobicContact CZ-CG 4.24Å; F83-R87 WeakPolarHBondContact O-CB 3.49Å; F83-R87 PolarHBondContact O-N 3.43Å
84L71.6Confident67.8Low103 Ų103110.1 Ų110.154%0.53955%0.546SS..Hα-helixtrans-65.6-38.1177.9-164.969.4000111.7L80 L81 L88L80-L84 WeakPolarHBondContact O-CB 3.46Å; L80-L84 PolarHBondContact O-N 2.83Å; L81-L84 PolarHBondContact O-N 3.22Å; L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 2.99Å
85L75.2Confident66.4Low108 Ų108110.9 Ų110.957%0.56556%0.56SS**Hα-helixtrans-61.7-45.5173.1-83.2163.3000112.5L81 S82 F83 L88 L89L81-L85 HydrophobicContact CG-CD1 4.21Å; L81-L85 WeakPolarHBondContact O-CB 3.4Å; L81-L85 WeakPolarHBondContact O-CG 3.36Å; L81-L85 PolarHBondContact O-N 2.87Å; S82-L85 PolarHBondContact O-N 3.47Å; F83-L85 VanDerWaalsContact C-N 3.34Å; F83-L85 PolarHBondContact O-N 3.5Å; L85-L88 PolarHBondContact O-N 3.4Å; L85-L89 WeakPolarHBondContact O-CB 3.22Å; L85-L89 PolarHBondContact O-N 3.19Å
86D76Confident64.5Low104 Ų104112.3 Ų112.356%0.55657%0.569SS**Hα-helixtrans-65.4-43.9178.6-166.461.2000111.4S82 F83 L88 L89 M90S82-D86 PolarHBondContact O-N 2.86Å; F83-D86 PolarHBondContact O-N 2.85Å; D86-L88 VanDerWaalsContact C-N 3.32Å; D86-L88 PolarHBondContact O-N 3.04Å; D86-L89 PolarHBondContact O-N 3.49Å; D86-M90 PolarHBondContact O-N 3.32Å
87R65.7Low62.7Low83 Ų83114 Ų11431%0.31359%0.59SS.*Hα-helixtrans-56.5-41.5170.7-101.5-66.7-163.8157.33.8112.8E42 F83 F91E42-R87 IonicContact OE1-CZ 3.5Å; E42-R87 IonicContact OE1-NE 3.4Å; E42-R87 IonicContact OE1-NH2 2.95Å; E42-R87 PolarHBondContact OE1-NH2 3.15Å; E42-R87 IonicContact OE2-NH2 2.75Å; E42-R87 PolarHBondContact OE2-NH2 3.37Å; F83-R87 HydrophobicContact CE1-CG 4.41Å; F83-R87 HydrophobicContact CZ-CG 4.24Å; F83-R87 WeakPolarHBondContact O-CB 3.49Å; F83-R87 PolarHBondContact O-N 3.43Å; R87-F91 WeakPolarHBondContact O-CD2 3.38Å
88L62.2Low61.1Low104 Ų104114.3 Ų114.355%0.54560%0.601SS.*Hα-helixtrans-71-38.9177.5-124.869.5000112.3L84 L85 D86 M90 F91 Q92L84-L88 WeakPolarHBondContact O-CB 3.43Å; L84-L88 PolarHBondContact O-N 2.99Å; L85-L88 PolarHBondContact O-N 3.4Å; D86-L88 VanDerWaalsContact C-N 3.32Å; D86-L88 PolarHBondContact O-N 3.04Å; L88-M90 PolarHBondContact O-N 3.13Å; L88-F91 CarbonylContact O-C 3.59Å; L88-F91 PolarHBondContact O-N 2.99Å; L88-Q92 PolarHBondContact O-N 2.82Å
89L62.2Low59.3Low87 Ų87115.3 Ų115.346%0.45561%0.607SS.*Hα-helixtrans-61.3-33.2-178.7-174.562.1000112.1L85 D86 F91 Q92 R93L85-L89 WeakPolarHBondContact O-CB 3.22Å; L85-L89 PolarHBondContact O-N 3.19Å; D86-L89 PolarHBondContact O-N 3.49Å; L89-F91 VanDerWaalsContact C-N 3.29Å; L89-F91 PolarHBondContact O-N 3.3Å; L89-Q92 PolarHBondContact O-N 3.19Å; L89-R93 PolarHBondContact O-N 3.11Å
90M53.9Low58.3Low146 Ų146117.2 Ų117.272%0.71962%0.618SS**Hα-helixtrans-65.2-28.5172.5-66.3-142.775.600113.8D86 L88D86-M90 PolarHBondContact O-N 3.32Å; L88-M90 PolarHBondContact O-N 3.13Å
91F48.4Very low57.1Low159 Ų159117.9 Ų117.970%0.69763%0.629SS**Hα-helixtrans-94.1-8.8175.4-63.4-67.3000113.6R87 L88 L89R87-F91 WeakPolarHBondContact O-CD2 3.38Å; L88-F91 CarbonylContact O-C 3.59Å; L88-F91 PolarHBondContact O-N 2.99Å; L89-F91 VanDerWaalsContact C-N 3.29Å; L89-F91 PolarHBondContact O-N 3.3Å
92Q57.2Low55.7Low149 Ų149120.8 Ų120.870%0.69665%0.645SS**Hα-helixtrans-98.1-7.3178.5-158.8173.323.400113.7L88 L89 P94L88-Q92 PolarHBondContact O-N 2.82Å; L89-Q92 PolarHBondContact O-N 3.19Å; Q92-P94 WeakPolarHBondContact O-CD 3.33Å
93R40.2Very low54.6Low194 Ų194122 Ų12273%0.73265%0.654SS**SBendtrans-78120.4161.5-77.2-173.7174151.71.7108.6L89L89-R93 PolarHBondContact O-N 3.11Å
94P41.8Very low53.4Low98 Ų98123.5 Ų123.564%0.63668%0.678SS**  trans-62.4151.9-176.5-22.433.1000112.8Q92 D96Q92-P94 WeakPolarHBondContact O-CD 3.33Å; P94-D96 HydrophobicContact CB-CB 4Å; P94-D96 VanDerWaalsContact CB-OD2 3.3Å; P94-D96 WeakPolarHBondContact CB-OD2 3.4Å; P94-D96 PolarHBondContact O-N 2.98Å; P94-D96 VanDerWaalsContact O-N 3.12Å
95S44.8Very low52.8Low131 Ų131123.7 Ų123.792%0.91668%0.684SS**SBendtrans-74.114167.1-56.40000112.9S97S95-S97 PolarHBondContact O-N 3.4Å
96D36.7Very low51.6Low145 Ų145124.4 Ų124.478%0.77570%0.695SS**  trans-97.477-173.3-59.2-55.7000111.2P94P94-D96 HydrophobicContact CB-CB 4Å; P94-D96 VanDerWaalsContact CB-OD2 3.3Å; P94-D96 WeakPolarHBondContact CB-OD2 3.4Å; P94-D96 PolarHBondContact O-N 2.98Å; P94-D96 VanDerWaalsContact O-N 3.12Å
97S36.1Very low50.6Low111 Ų111128.1 Ų128.178%0.77671%0.706SS**  trans174.7106.4146.7-175.80000110.2S95S95-S97 PolarHBondContact O-N 3.4Å
98S45.4Very low49.8Very low111 Ų111134.5 Ų134.578%0.77674%0.736SS**  trans-151.558.2161.9-175.50000108E100S98-E100 PolarHBondContact O-N 3.17Å
99D44.9Very low49.4Very low138 Ų138136.5 Ų136.574%0.73875%0.752SS**  trans-74.683.6-179.1-179.719.9000111.3
100E54.9Low48.8Very low172 Ų172141.2 Ų141.280%0.80477%0.769SS**  trans-102.464.1174-77.7-69138.500111.2S98S98-E100 PolarHBondContact O-N 3.17Å
101S51.4Low48.8Very low92 Ų92145.2 Ų145.264%0.64378%0.776SS**  trans39.192.2141.7-67.20000117.8S103S101-S103 PolarHBondContact O-N 2.65Å
102D49.9Very low48.7Very low165 Ų165143.1 Ų143.188%0.88278%0.776SS**  trans-67.296.9167.9-173.111.4000111A104D102-A104 PolarHBondContact O-N 3.44Å
103S55Low48.4Very low97 Ų97147 Ų14768%0.67879%0.785SS**  trans-72.498-176710000111.3S101 V105S101-S103 PolarHBondContact O-N 2.65Å; S103-V105 PolarHBondContact O-N 3.26Å
104A47.4Very low48.9Very low96 Ų96144.8 Ų144.879%0.79379%0.793SS**  trans-55.9103.5-172.200000114.5D102 P106D102-A104 PolarHBondContact O-N 3.44Å; A104-P106 WeakPolarHBondContact O-CD 3.49Å
105V58.8Low49.1Very low108 Ų108151.7 Ų151.766%0.65581%0.806SS**  trans-83.4114171.61780000110.1S103 K107S103-V105 PolarHBondContact O-N 3.26Å; V105-K107 PolarHBondContact O-N 3.15Å; V105-K107 VanDerWaalsContact O-N 3.16Å
106P50.4Low49.2Very low123 Ų123154.6 Ų154.680%0.79980%0.802SS**  trans-76.6107.3-173.329.7-34.7000112.2A104A104-P106 WeakPolarHBondContact O-CD 3.49Å
107K56.1Low49.7Very low182 Ų182157.7 Ų157.779%0.79180%0.803SS**  trans-109.9118.9172.2-73.4-177.2179.2174.10111.7V105 V109V105-K107 PolarHBondContact O-N 3.15Å; V105-K107 VanDerWaalsContact O-N 3.16Å; K107-V109 PolarHBondContact O-N 2.87Å
108K48.3Very low50.6Low216 Ų216158.8 Ų158.894%0.93980%0.8SS**  trans-63.6119.6-174.1-59.5167.1-177.8172.50111.4
109V54.7Low50.8Low147 Ų147159.1 Ų159.189%0.89180%0.8SS**  trans-124132.9162.3-176.60000109.5K107K107-V109 PolarHBondContact O-N 2.87Å
110K49.5Very low51.1Low185 Ų185160.3 Ų160.380%0.80480%0.798SS**  trans-117.3117.6-167.6167.9-170.8179179.50108.8
111R52.9Low51.2Low231 Ų231159.5 Ų159.587%0.87279%0.794SS**  trans169.8122.9142.7-94.6157.9118.7108.34.7115.7
112T46.8Very low51.1Low115 Ų115161.6 Ų161.671%0.70680%0.804SS**  64.187127.4-41.70000121.7
113R50.8Low51.2Low231 Ų231156.9 Ų156.987%0.87279%0.794SS**  39.9111.2110.8-177.4-168.9-177.5176.61.6119.3
114T51.3Low51.2Low146 Ų146158.7 Ų158.790%0.89680%0.801SS**  -164.7161.1120.120.80000112.6
115R44.1Very low51.2Low244 Ų244159.9 Ų159.992%0.92180%0.799SS**  trans-99.6148.5-176.4-68.3167.5159.9169.5-9.6112.6
116K47.4Very low51.2Low192 Ų192162.7 Ų162.784%0.83581%0.809SS**  -169.5139.4128.5-111.5175.1-179.8-179.50113.4
117R47.7Very low51Low209 Ų209163 Ų16379%0.78981%0.808SS**  trans9.9151.6139.4-58.2-166.5178.1153.3-2120
118D55.3Low51.1Low134 Ų134159.2 Ų159.272%0.71781%0.812SS**  cis-166.8170-12.6-97.5-30.2000107.8
119P50.2Low51.5Low119 Ų119156.7 Ų156.777%0.77381%0.808SS**  trans-96174.1-163.438.3-37.9000115.5
120K49.8Very low50.8Low163 Ų163155.8 Ų155.871%0.70981%0.807SS**  159.2130.3127.5-177.6167.9-178.31800114.5
121E57.4Low51.4Low154 Ų154158.9 Ų158.972%0.7281%0.814SS**  trans55.6155.7160.9-66.2155.6-168.600117.7
122T49.6Very low51.1Low136 Ų136157.8 Ų157.883%0.83482%0.815SS**  cis-158.8144.227.1-46.70000111.1
123G51.4Low51.6Low67 Ų67157 Ų15769%0.69182%0.82SS**  trans70.8160.4156.200000118.3
124T55.5Low51.6Low134 Ų134156.4 Ų156.482%0.82282%0.818SS**  cis-148.8134.8-8-640000108.8
125V47.1Very low51.6Low122 Ų122158.4 Ų158.474%0.73981%0.814SS**  trans-96.3128.7176.7176.30000110.2
126L58.7Low52.1Low167 Ų167152 Ų15287%0.87481%0.807SS**  trans-138.798.5163.4-77.4-179.9000111.2
127T46.4Very low52.8Low128 Ų128150.5 Ų150.579%0.78581%0.807SS**  trans-109130.8166.453.30000109.1
128A58.4Low52.9Low104 Ų104146 Ų14686%0.8680%0.803SS**  trans-136.5126.4175.900000111.3
129N55.9Low52.4Low162 Ų162150.1 Ų150.187%0.86681%0.809SS**  trans-94.7153.9-172.5-83.9-27.8000113.7
130C40.3Very low52.7Low128 Ų128151.7 Ų151.787%0.86581%0.81SS**  trans-63.2150171.7-46.70000113
131R62.6Low52.7Low250 Ų250150.1 Ų150.194%0.94382%0.815SS**  trans-140.1158.1162.5-71.2-166.8171.8-174.8-2.1111.4
132K47.4Very low52.5Low208 Ų208148.4 Ų148.490%0.90482%0.817SS**  trans-156.9120.8-160.1177.4175.9-178.2172.10114.2
133A57Low52.2Low98 Ų98146.4 Ų146.481%0.8181%0.814SS**  trans-164.2151.9163.800000110.1
134R50.9Low52.3Low220 Ų220152.3 Ų152.383%0.8382%0.824SS**  cis108.6104.3-7.9-157.1-178.3-171.3-155.74.3117.4
135K50.4Low52.3Low187 Ų187153.4 Ų153.481%0.81382%0.824SS**  trans79.1151.1177.2-52.9174.1173.5-1740114.4
136S54.6Low52.5Low110 Ų110152.4 Ų152.477%0.76982%0.82SS**  cis-149.9-173.613.9-37.50000110.4
137L61.7Low51.6Low161 Ų161151 Ų15184%0.84381%0.813SS**  cis-148-84-5.3-169.350.5000114.8
138T49.9Very low51.4Low114 Ų114150.8 Ų150.870%0.69981%0.812SS**  trans-130.6152.5-169.638.30000110.9
139R45.2Very low50.6Low221 Ų221151.3 Ų151.383%0.83481%0.805SS**  72.7119.154.1-111.4-164.8-159.4-179.75.7114.9
140D57.1Low50.5Low151 Ų151152.8 Ų152.881%0.80780%0.803SS**  178.9170.4114.5-83.1-19.6000113.6
141T50.2Low50.5Low130 Ų130155.4 Ų155.480%0.79880%0.803SS**  trans-151.6146.7-175.2-34.50000109.9
142P52.4Low49.5Very low119 Ų119147.3 Ų147.377%0.77380%0.798SS**  -145.2165110.423-0.5000112.6
143A44.1Very low49.3Very low94 Ų94142.5 Ų142.578%0.77779%0.79SS**  cis106.7121.321.500000114.3
144E52.2Low48.7Very low191 Ų191142.7 Ų142.789%0.89379%0.785SS**  trans-158.7159.6158.9-132.9-178.1156.900113.2
145L56.1Low48.5Very low157 Ų157140.2 Ų140.282%0.82278%0.783SS**  trans-148.3-173.4178.3-78.7174.3000106.2
146P50.6Low48.2Very low101 Ų101135.1 Ų135.166%0.65677%0.771SS**  cis-148.4-17310.939.9-16.1000118.5
147N40.5Very low47.8Very low137 Ų137137 Ų13773%0.73377%0.768SS**  trans91.3140131.2-92-3.6000127.2
148T42.9Very low47.3Very low123 Ų123137.3 Ų137.376%0.75576%0.763SS**  trans73154.3147.359.60000121.5
149T40Very low46.9Very low115 Ų115140.4 Ų140.471%0.70677%0.769SS**  cis-174.3149-27.3-83.20000109.6
150K53.6Low46.9Very low194 Ų194133.2 Ų133.284%0.84376%0.764SS**  trans134167.6158.3-79.8171.1178.3-178.90113.1
151E40.7Very low46.3Very low182 Ų182132.4 Ų132.485%0.8576%0.764SS**  179.6148-57.7-109.9-167.5150.900110.3
152G42.9Very low46.2Very low81 Ų81133.7 Ų133.784%0.83577%0.766SS**  trans84.3157.917300000116.7
153S42.4Very low46Very low107 Ų107132.8 Ų132.875%0.74876%0.76SS**  cis-168.9145.9-11.7-177.90000111.6
154S44.4Very low46Very low101 Ų101135.7 Ų135.771%0.70676%0.762SS**  trans60.5157.7154.741.10000119.2
155E46.2Very low45.9Very low168 Ų168131.9 Ų131.979%0.78576%0.756SS**  cis-160.71651.3-132.7-168.492.900114.8
156S44Very low45.3Very low81 Ų81132.2 Ų132.257%0.56676%0.759SS**  trans59.2115.4142-78.60000126.5
157Q47.7Very low45.3Very low150 Ų150134 Ų13470%0.70177%0.768SS**  99.6129123.1-77.3-16728.400125.3
158K49.3Very low45.9Very low167 Ų167135.5 Ų135.573%0.72678%0.775SS**  trans71.5153.8149.7-69.4168.5177.4162.90120.8
159E41.9Very low47.1Very low179 Ų179135.1 Ų135.184%0.83678%0.775SS**  cis-177.7133.5-30.3179.3163.1-161.100107.2
160G44.7Very low47.7Very low70 Ų70135.4 Ų135.472%0.72278%0.779SS**  trans173.373-175.300000119.5
161T44.8Very low47.6Very low133 Ų133133.2 Ų133.282%0.81678%0.782SS**  trans32.497.7144.9-44.80000121.5
162L49.6Very low48.1Very low158 Ų158133.5 Ų133.583%0.82778%0.783SS**  31.1161.2112.5-72.4-179.9000122.6
163P47.1Very low48.7Very low100 Ų100135 Ų13565%0.64978%0.781SS**  cis-139.2173.6-10.537.8-19.2000117
164N43.7Very low49.5Very low155 Ų155137.6 Ų137.683%0.82979%0.786SS**  trans51.3139.6145.7-80.9-18000121.8
165S50.6Low50.5Low110 Ų110141.3 Ų141.377%0.76980%0.796SS**  cis-15913947.635.30000114
166N42.8Very low50.9Low165 Ų165136.9 Ų136.988%0.88280%0.795SS**  trans-113121.7170.5-78.4-25.8000110.1
167T51Low51.9Low137 Ų137137.7 Ų137.784%0.8480%0.8SS**  trans-147.5120.1160.7-57.10000109.9
168L53.8Low52.4Low169 Ų169138.9 Ų138.989%0.88581%0.806SS**  trans-113.7135.6162.9-77.2170.9000108.8
169P67.1Low52.9Low115 Ų115144.2 Ų144.275%0.74783%0.833SS**  trans-79.5163.1177.132.7-34.5000112.8
170P53.2Low53.5Low121 Ų121142.5 Ų142.579%0.78683%0.833SS**  trans-100.4167.8-16038.9-37.4000115.6
171T51.5Low53.9Low149 Ų149146.3 Ų146.391%0.91484%0.839SS**  trans-112.2149.4164.9-49.50000109.9
172Q51.5Low54.4Low188 Ų188147 Ų14788%0.87984%0.84SS**  trans-100.4141.6-162.9-55.4171.18.500114.4
173S56.6Low54.7Low111 Ų111146.4 Ų146.478%0.77684%0.841SS**  trans-157.2108.5144.856.40000107.9
174L58.5Low55.2Low163 Ų163149.3 Ų149.385%0.85385%0.853SS**  67.297.679.8-168.993.6000112.7
175I65.2Low56Low179 Ų179148.9 Ų148.992%0.91886%0.855SS**  trans-169.8136.9141.8-96.4149.3000106.8
176G54.8Low56.3Low74 Ų74151.6 Ų151.676%0.76386%0.861SS**  trans-169.8116174.100000111.4
177S64.6Low57.4Low98 Ų98150.6 Ų150.669%0.68586%0.859SS**  trans-169.9114.7162-98.10000105.1
178E59.4Low57.9Low176 Ų176151.8 Ų151.882%0.82286%0.861SS**  84.289.396.2-74.2174.1110.800114.2
179Q59Low58.3Low278 Ų278150.2 Ų150.2100%1.29986%0.858SS**  -161.90113.8-102.6173.821.200110.5

Retrieved 179 of 179 residues in 143.1 ms (Link to these results)