A0A077Z203_TRITR Loading...

Retrotransposon protein, unclassified, expressed

AlphaFold DB , UniProt , Accession A0A077Z203, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 124 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
1M37Very low41Very low239 Ų239151.8 Ų151.8100%1.17781%0.806SS**  0132.80-80.2174.7164.900106.8
2L42.8Very low41.3Very low150 Ų150148.4 Ų148.479%0.78580%0.804SS**  cis-133.4141.418.4-8289.4000109.9
3V36.2Very low42Very low136 Ų136149 Ų14982%0.82481%0.805SS**  trans-104.2119.8159.6-178.50000105.3
4T40.8Very low42.6Very low111 Ų111146.3 Ų146.368%0.68180%0.799SS**  trans-137.192.7163.7-330000107.6R6T4-R6 PolarHBondContact O-N 2.92Å
5D40.1Very low43.3Very low147 Ų147144.1 Ų144.179%0.78680%0.795SS**  trans-62.6107.3174.1-136-37.1000108.6S7D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 2.92Å; D5-S7 VanDerWaalsContact O-N 3.07Å
6R41.9Very low44.1Very low232 Ų232148.6 Ų148.688%0.87580%0.804SS**  trans-83.579.2177.2-69.7178.479.4174.24.4108T4 S8T4-R6 PolarHBondContact O-N 2.92Å; R6-S8 PolarHBondContact O-N 2.71Å
7S40.2Very low44.9Very low109 Ų109147.4 Ų147.476%0.76280%0.803SS**  trans-69.684.5168.3-165.70000108.9D5 S9D5-S7 VanDerWaalsContact C-N 3.29Å; D5-S7 PolarHBondContact O-N 2.92Å; D5-S7 VanDerWaalsContact O-N 3.07Å; S7-S9 PolarHBondContact O-N 3.15Å; S7-S9 VanDerWaalsContact O-N 3.14Å
8S44.9Very low45.5Very low103 Ų103144.7 Ų144.772%0.7280%0.797SS**  trans-76.896178.9-177.70000109.5R6 H10R6-S8 PolarHBondContact O-N 2.71Å; S8-H10 PolarHBondContact O-N 3.2Å
9S41.8Very low46.3Very low87 Ų87143.4 Ų143.461%0.60880%0.796SS**  trans-54.9120.4177.2-57.80000112.2S7 H11S7-S9 PolarHBondContact O-N 3.15Å; S7-S9 VanDerWaalsContact O-N 3.14Å; S9-H11 PolarHBondContact O-N 3.34Å; S9-H11 VanDerWaalsContact O-N 3.1Å
10H42.8Very low47.1Very low187 Ų187143.7 Ų143.787%0.86679%0.794SS**  trans-67.199.2171.3-68.4-89.5000110.3S8 S12S8-H10 PolarHBondContact O-N 3.2Å; H10-S12 PolarHBondContact O-N 2.79Å
11H43Very low47.4Very low169 Ų169147.6 Ų147.678%0.78280%0.797SS**  trans-89.485.8162.5-71.7-62.9000108.6S9 L13S9-H11 PolarHBondContact O-N 3.34Å; S9-H11 VanDerWaalsContact O-N 3.1Å; H11-L13 PolarHBondContact O-N 3.47Å; H11-L13 VanDerWaalsContact O-N 3.09Å
12S43.9Very low48.4Very low111 Ų111147 Ų14778%0.77678%0.782SS**  trans-64.2107.4165.546.10000108.4H10H10-S12 PolarHBondContact O-N 2.79Å
13L50.1Low48.9Very low156 Ų156145.7 Ų145.782%0.81778%0.78SS**PPolyproline II helixtrans-55.9133.6175.4-68.2167.1000109.3H11H11-L13 PolarHBondContact O-N 3.47Å; H11-L13 VanDerWaalsContact O-N 3.09Å
14P51Low49.7Very low111 Ų111145.9 Ų145.972%0.72178%0.781SS**PPolyproline II helixtrans-58.6137.9178.922.9-31.3000109.8K16P14-K16 PolarHBondContact O-N 3.48Å
15P52.7Low50Low114 Ų114145.6 Ų145.674%0.7478%0.784SS**PPolyproline II helixtrans-55.2136.3-178.719.4-29.4000109.9T17P15-T17 VanDerWaalsContact C-N 3.31Å; P15-T17 PolarHBondContact O-N 3.1Å
16K57.1Low50.3Low215 Ų215143.5 Ų143.594%0.93578%0.78SS**  trans-47.390.5-179.5-72.7174.2176174.20110.5P14 S18P14-K16 PolarHBondContact O-N 3.48Å; K16-S18 PolarHBondContact O-N 2.69Å
17T56.4Low50.3Low129 Ų129136.7 Ų136.779%0.79177%0.773SS**PPolyproline II helixtrans-64.7128.7172.4490000107P15P15-T17 VanDerWaalsContact C-N 3.31Å; P15-T17 PolarHBondContact O-N 3.1Å
18S56.9Low50.4Low99 Ų99136.5 Ų136.569%0.69277%0.768SS**PPolyproline II helixtrans-47.6149.6177.849.40000111.9K16 I20K16-S18 PolarHBondContact O-N 2.69Å; S18-I20 PolarHBondContact O-N 2.74Å
19P61.1Low50.2Low120 Ų120138.4 Ų138.478%0.77977%0.77SS**PPolyproline II helixtrans-51.6132.2-178.1-23.231.7000111.3R21P19-R21 PolarHBondContact O-N 2.75Å
20I60.9Low50Low148 Ų148140.2 Ų140.276%0.75978%0.777SS**  trans-55.2114.5171.9-63.8167.2000106.6S18 W22S18-I20 PolarHBondContact O-N 2.74Å; I20-W22 PolarHBondContact O-NE1 3.28Å
21R54Low50Low227 Ų227138.9 Ų138.986%0.85778%0.775SS**  trans-91.5113.8178.3-159.8-176.9-67.7-174.5-0.5107.3P19 T23P19-R21 PolarHBondContact O-N 2.75Å; R21-T23 PolarHBondContact O-N 2.79Å
22W57.9Low49.4Very low227 Ų227138 Ų13886%0.8677%0.772SS**  trans-79.5113.3-173.4-51.511.5000106.1I20I20-W22 PolarHBondContact O-NE1 3.28Å
23T54Low49.1Very low122 Ų122138 Ų13875%0.74877%0.769SS**  trans-90.3120.417549.50000108.3R21 S25R21-T23 PolarHBondContact O-N 2.79Å; T23-S25 PolarHBondContact O-N 2.88Å; T23-S25 VanDerWaalsContact O-N 3.09Å
24T52.6Low48.4Very low139 Ų139136.2 Ų136.285%0.85377%0.765SS**  trans-84.265.5170.455.40000108.6C26T24-C26 PolarHBondContact O-N 3.23Å
25S46.3Very low47.9Very low106 Ų106136.5 Ų136.574%0.74176%0.764SS**  trans-8294169.7-172.20000107.8T23 A27T23-S25 PolarHBondContact O-N 2.88Å; T23-S25 VanDerWaalsContact O-N 3.09Å; S25-A27 PolarHBondContact O-N 3.42Å
26C46Very low47.2Very low102 Ų102136.7 Ų136.769%0.68977%0.768SS**  trans-81.5100.1160.547.80000107.1T24 T28T24-C26 PolarHBondContact O-N 3.23Å; C26-T28 VanDerWaalsContact C-N 3.26Å; C26-T28 PolarHBondContact O-N 3.33Å; C26-T28 PolarHBondContact O-OG1 3.37Å
27A42.6Very low46.5Very low90 Ų90132.6 Ų132.674%0.74476%0.761SS**  trans-59.599.2163.300000106.9S25 D29S25-A27 PolarHBondContact O-N 3.42Å; A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.2Å
28T42Very low45.9Very low104 Ų104130.1 Ų130.164%0.63875%0.749SS**  trans-88.682.9174.4-41.40000104.2C26 V30C26-T28 VanDerWaalsContact C-N 3.26Å; C26-T28 PolarHBondContact O-N 3.33Å; C26-T28 PolarHBondContact O-OG1 3.37Å; T28-V30 HydrophobicContact CG2-CG2 4.05Å; T28-V30 PolarHBondContact O-N 3.44Å
29D41.2Very low45Very low144 Ų144129.4 Ų129.477%0.7774%0.743SS**  trans-64.296.9161.2-93.8-34.8000105.6A27 L31A27-D29 VanDerWaalsContact C-N 3.29Å; A27-D29 PolarHBondContact O-N 3.2Å; D29-L31 PolarHBondContact O-N 2.91Å
30V37.3Very low44.1Very low125 Ų125130.6 Ų130.676%0.75874%0.74SS**  trans-69.273.1174.4-176.10000107.1T28 E32T28-V30 HydrophobicContact CG2-CG2 4.05Å; T28-V30 PolarHBondContact O-N 3.44Å; V30-E32 PolarHBondContact O-N 2.78Å
31L43.6Very low43.4Very low159 Ų159126.6 Ų126.683%0.83273%0.729SS**  trans-76.895.8161.4-91.2147.5000106.7D29D29-L31 PolarHBondContact O-N 2.91Å
32E29.5Very low43.1Very low150 Ų150119.2 Ų119.270%0.70171%0.709SS**  trans31.3115.4153.7-93.8-74141.200117.9V30 T34V30-E32 PolarHBondContact O-N 2.78Å; E32-T34 PolarHBondContact O-N 2.69Å
33P37.3Very low42.6Very low112 Ų112113.3 Ų113.373%0.72770%0.695SS**  trans-73.588.9-174.732.1-34.7000111.9
34T37Very low42.3Very low118 Ų118114 Ų11472%0.72469%0.69SS**  trans-103.7126.2162.5-510000108.8E32E32-T34 PolarHBondContact O-N 2.69Å
35V39.4Very low42.3Very low116 Ų116113.9 Ų113.970%0.70368%0.679SS**  trans93.775.1174-157.90000116.6T37V35-T37 VanDerWaalsContact C-N 3.26Å; V35-T37 PolarHBondContact O-N 2.83Å
36S37.1Very low42.6Very low118 Ų118112.6 Ų112.683%0.82567%0.667SS**THydrogen-bonded Turntrans-66.446.3171.7-52.50000116.5
37T43.2Very low42.9Very low129 Ų129111.2 Ų111.279%0.79166%0.656SS**THydrogen-bonded Turntrans-145-0177.7-33.30000117V35V35-T37 VanDerWaalsContact C-N 3.26Å; V35-T37 PolarHBondContact O-N 2.83Å
38S43Very low43.7Very low77 Ų77111 Ų11154%0.53865%0.645SS.*SBendtrans-104.5-17-173.5-178.80000116.5M40 A41 T42S38-M40 PolarHBondContact O-N 2.79Å; S38-A41 PolarHBondContact O-N 2.84Å; S38-T42 PolarHBondContact O-OG1 3.4Å
39C39.8Very low44.7Very low84 Ų84109.8 Ų109.857%0.56864%0.638SS**Hα-helixtrans-74.4-20.6-168.862.30000115.5T42 N43C39-T42 PolarHBondContact O-OG1 3.03Å; C39-N43 PolarHBondContact O-N 2.61Å
40M42Very low46Very low146 Ų146111.8 Ų111.872%0.71963%0.634SS**Hα-helixtrans-74.7-33.8178.6-73.8-72.7169.100112.3S38 Q44S38-M40 PolarHBondContact O-N 2.79Å; M40-Q44 WeakPolarHBondContact O-CG 3.17Å; M40-Q44 PolarHBondContact O-N 3.02Å
41A45.4Very low47.9Very low64 Ų64110.1 Ų110.153%0.52962%0.618SS.*Hα-helixtrans-73.6-39-179.100000112.3S38 Q44 Q45S38-A41 PolarHBondContact O-N 2.84Å; A41-Q44 PolarHBondContact O-N 3.22Å; A41-Q45 PolarHBondContact O-N 3.02Å
42T48.3Very low49.5Very low71 Ų71103.5 Ų103.544%0.43658%0.584SS.*Hα-helixtrans-70.4-37.8179.8420000112.2S38 C39 Q44 Q45 T46S38-T42 PolarHBondContact O-OG1 3.4Å; C39-T42 PolarHBondContact O-OG1 3.03Å; T42-Q44 VanDerWaalsContact C-N 3.35Å; T42-Q44 PolarHBondContact O-N 3.02Å; T42-Q45 PolarHBondContact O-N 3.35Å; T42-T46 PolarHBondContact O-N 3.47Å; T42-T46 PolarHBondContact O-OG1 3.14Å
43N46.5Very low52Low103 Ų103101.6 Ų101.655%0.55158%0.577SS**Hα-helixtrans-65.6-36.2175.1-96.9-37.9000112.8C39 Q45 T46 T47C39-N43 PolarHBondContact O-N 2.61Å; N43-Q45 VanDerWaalsContact C-N 3.34Å; N43-T46 PolarHBondContact O-OG1 3.38Å; N43-T47 WeakPolarHBondContact O-CB 3.2Å; N43-T47 PolarHBondContact O-N 3.01Å; N43-T47 PolarHBondContact O-OG1 3.25Å
44Q48.5Very low54.1Low138 Ų138100.7 Ų100.765%0.64557%0.566SS**Hα-helixtrans-66.1-38.6174.4-71.3-171.325.800111.9M40 A41 T42 T47 T48M40-Q44 WeakPolarHBondContact O-CG 3.17Å; M40-Q44 PolarHBondContact O-N 3.02Å; A41-Q44 PolarHBondContact O-N 3.22Å; T42-Q44 VanDerWaalsContact C-N 3.35Å; T42-Q44 PolarHBondContact O-N 3.02Å; Q44-T47 PolarHBondContact O-N 2.8Å; Q44-T48 WeakPolarHBondContact O-CB 3.22Å; Q44-T48 PolarHBondContact O-N 2.83Å; Q44-T48 PolarHBondContact O-OG1 3.49Å
45Q52.1Low56.2Low136 Ų136101.7 Ų101.764%0.63656%0.556SS**Hα-helixtrans-64.4-47.8176.4-81-176.5-100112.1A41 T42 N43 T47 T48 T49A41-Q45 PolarHBondContact O-N 3.02Å; T42-Q45 PolarHBondContact O-N 3.35Å; N43-Q45 VanDerWaalsContact C-N 3.34Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 3.21Å; Q45-T48 PolarHBondContact O-N 3.4Å; Q45-T49 PolarHBondContact O-N 3.31Å; Q45-T49 PolarHBondContact O-OG1 2.99Å
46T51.9Low58.2Low79 Ų79102.1 Ų102.149%0.48555%0.545SS..Hα-helixtrans-62.4-39.9179.255.60000111.6T42 N43 T49 R50T42-T46 PolarHBondContact O-N 3.47Å; T42-T46 PolarHBondContact O-OG1 3.14Å; N43-T46 PolarHBondContact O-OG1 3.38Å; T46-T49 VanDerWaalsContact CA-OG1 3.26Å; T46-T49 WeakPolarHBondContact CA-OG1 3.22Å; T46-T49 PolarHBondContact O-N 2.67Å; T46-T49 PolarHBondContact O-OG1 2.89Å; T46-R50 WeakPolarHBondContact O-CB 3.49Å; T46-R50 PolarHBondContact O-N 3.33Å
47T53.9Low60.3Low73 Ų73101.7 Ų101.745%0.44853%0.529SS..Hα-helixtrans-65-43.2176.4-45.60000111N43 Q44 Q45 R50 Q51N43-T47 WeakPolarHBondContact O-CB 3.2Å; N43-T47 PolarHBondContact O-N 3.01Å; N43-T47 PolarHBondContact O-OG1 3.25Å; Q44-T47 PolarHBondContact O-N 2.8Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 3.21Å; T47-R50 PolarHBondContact O-N 2.84Å; T47-Q51 WeakPolarHBondContact O-CG 3.39Å; T47-Q51 PolarHBondContact O-N 2.96Å
48T58.1Low62.2Low86 Ų8699.5 Ų99.553%0.52851%0.512SS..Hα-helixtrans-65.3-42177.3-52.60000111.3Q44 Q45 Q51 D52Q44-T48 WeakPolarHBondContact O-CB 3.22Å; Q44-T48 PolarHBondContact O-N 2.83Å; Q44-T48 PolarHBondContact O-OG1 3.49Å; Q45-T48 PolarHBondContact O-N 3.4Å; T48-Q51 PolarHBondContact O-N 3.23Å; T48-D52 WeakPolarHBondContact O-CB 3.46Å; T48-D52 PolarHBondContact O-N 3.09Å
49T64.5Low63.9Low78 Ų7896.5 Ų96.548%0.47949%0.492SS..Hα-helixtrans-66.2-40.1176.746.70000112.4Q45 T46 D52 I53Q45-T49 PolarHBondContact O-N 3.31Å; Q45-T49 PolarHBondContact O-OG1 2.99Å; T46-T49 VanDerWaalsContact CA-OG1 3.26Å; T46-T49 WeakPolarHBondContact CA-OG1 3.22Å; T46-T49 PolarHBondContact O-N 2.67Å; T46-T49 PolarHBondContact O-OG1 2.89Å; T49-D52 PolarHBondContact O-N 2.91Å; T49-I53 WeakPolarHBondContact O-CG1 3.35Å; T49-I53 PolarHBondContact O-N 2.95Å
50R67.2Low65.9Low185 Ų185101.9 Ų101.970%0.69850%0.5SS*.Hα-helixtrans-64.4-42.9176.8-175.1177.9175.3135.9-0110.9T46 T47 I53 L54T46-R50 WeakPolarHBondContact O-CB 3.49Å; T46-R50 PolarHBondContact O-N 3.33Å; T47-R50 PolarHBondContact O-N 2.84Å; R50-I53 PolarHBondContact O-N 3.02Å; R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 3.42Å; R50-L54 VanDerWaalsContact O-N 3.14Å
51Q77Confident67.8Low90 Ų9099.8 Ų99.842%0.42149%0.491SS..Hα-helixtrans-64.7-38.4174.8-71.9-172.18.400112.3T47 T48 L54 R55T47-Q51 WeakPolarHBondContact O-CG 3.39Å; T47-Q51 PolarHBondContact O-N 2.96Å; T48-Q51 PolarHBondContact O-N 3.23Å; Q51-L54 PolarHBondContact O-N 3.41Å; Q51-R55 VanDerWaalsContact O-CG 3.27Å; Q51-R55 WeakPolarHBondContact O-CG 3.32Å; Q51-R55 PolarHBondContact O-N 2.9Å
52D77.6Confident69.6Low20 Ų20104.6 Ų104.611%0.10750%0.496CS..Hα-helixtrans-61.7-44.8177-169.118.5000111.4T48 T49 L54 R55 R56 Y66T48-D52 WeakPolarHBondContact O-CB 3.46Å; T48-D52 PolarHBondContact O-N 3.09Å; T49-D52 PolarHBondContact O-N 2.91Å; D52-L54 PolarHBondContact O-N 3.42Å; D52-R55 PolarHBondContact O-N 2.99Å; D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.26Å; D52-R56 PolarHBondContact O-N 2.79Å; D52-R56 IonicContact OD1-CZ 3.86Å; D52-R56 IonicContact OD1-NE 3.14Å; D52-R56 PolarHBondContact OD1-NE 3.31Å; D52-R56 VanDerWaalsContact OD1-NE 3.14Å; D52-R56 IonicContact OD1-NH2 3.7Å; D52-R56 IonicContact OD2-CZ 3.41Å; D52-R56 IonicContact OD2-NE 3.46Å; D52-R56 PolarHBondContact OD2-NE 3.48Å; D52-R56 IonicContact OD2-NH2 2.71Å; D52-R56 PolarHBondContact OD2-NH2 3.36Å; D52-Y66 WeakPolarHBondContact OD1-CE1 3.38Å; D52-Y66 PolarHBondContact OD1-OH 3.02Å
53I81.6Confident71Confident111 Ų111104.7 Ų104.757%0.56951%0.51SS*.Hα-helixtrans-60.3-47.3175.8-66164.4000111T49 R50 R55 R56 F57T49-I53 WeakPolarHBondContact O-CG1 3.35Å; T49-I53 PolarHBondContact O-N 2.95Å; R50-I53 PolarHBondContact O-N 3.02Å; I53-R55 VanDerWaalsContact C-N 3.35Å; I53-R55 PolarHBondContact O-N 3.46Å; I53-R56 PolarHBondContact O-N 3.27Å; I53-F57 WeakPolarHBondContact O-CB 3.36Å; I53-F57 PolarHBondContact O-N 2.71Å
54L82.1Confident72.4Confident93 Ų93108.7 Ų108.749%0.48752%0.518SS..Hα-helixtrans-62.9-39.9178.7-70.8173.7000112.2R50 Q51 D52 F57 L58R50-L54 WeakPolarHBondContact O-CG 3.36Å; R50-L54 PolarHBondContact O-N 3.42Å; R50-L54 VanDerWaalsContact O-N 3.14Å; Q51-L54 PolarHBondContact O-N 3.41Å; D52-L54 PolarHBondContact O-N 3.42Å; L54-F57 PolarHBondContact O-N 3.46Å; L54-L58 WeakPolarHBondContact O-CB 3.22Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.27Å; L54-L58 PolarHBondContact O-N 3.14Å
55R80.9Confident73.8Confident139 Ų139111.6 Ų111.653%0.52553%0.528SS..Hα-helixtrans-66.1-40.6176.8-70.4175.7-162.8-179.37.3111.9Q51 D52 I53 L58 A59 Y66Q51-R55 VanDerWaalsContact O-CG 3.27Å; Q51-R55 WeakPolarHBondContact O-CG 3.32Å; Q51-R55 PolarHBondContact O-N 2.9Å; D52-R55 PolarHBondContact O-N 2.99Å; I53-R55 VanDerWaalsContact C-N 3.35Å; I53-R55 PolarHBondContact O-N 3.46Å; R55-L58 PolarHBondContact O-N 2.52Å; R55-A59 WeakPolarHBondContact O-CB 3.27Å; R55-A59 PolarHBondContact O-N 2.96Å; R55-Y66 HydrophobicContact CB-CD2 4.26Å; R55-Y66 HydrophobicContact CB-CE2 3.63Å
56R81.1Confident74.9Confident124 Ų124108.7 Ų108.747%0.46851%0.512SS..Hα-helixtrans-61.5-45.4174.3-70.8171.7-167-160.95.8111.4D52 I53 A59 W60 Y66D52-R56 VanDerWaalsContact O-CG 3.27Å; D52-R56 WeakPolarHBondContact O-CG 3.26Å; D52-R56 PolarHBondContact O-N 2.79Å; D52-R56 IonicContact OD1-CZ 3.86Å; D52-R56 IonicContact OD1-NE 3.14Å; D52-R56 PolarHBondContact OD1-NE 3.31Å; D52-R56 VanDerWaalsContact OD1-NE 3.14Å; D52-R56 IonicContact OD1-NH2 3.7Å; D52-R56 IonicContact OD2-CZ 3.41Å; D52-R56 IonicContact OD2-NE 3.46Å; D52-R56 PolarHBondContact OD2-NE 3.48Å; D52-R56 IonicContact OD2-NH2 2.71Å; D52-R56 PolarHBondContact OD2-NH2 3.36Å; I53-R56 PolarHBondContact O-N 3.27Å; R56-A59 PolarHBondContact O-N 3.14Å; R56-W60 PolarHBondContact O-N 2.95Å; R56-Y66 HydrophobicContact CG-CD1 3.49Å; R56-Y66 VanDerWaalsContact CG-CD1 3.49Å; R56-Y66 HydrophobicContact CG-CD2 4.16Å; R56-Y66 HydrophobicContact CG-CE1 3.69Å; R56-Y66 HydrophobicContact CG-CE2 4.39Å; R56-Y66 HydrophobicContact CG-CG 3.73Å
57F81.1Confident75.7Confident110 Ų110110.6 Ų110.648%0.48252%0.523SS..Hα-helixtrans-61.8-45.9177.2-178.3-109.1000112.2I53 L54 A59 W60 I61I53-F57 WeakPolarHBondContact O-CB 3.36Å; I53-F57 PolarHBondContact O-N 2.71Å; L54-F57 PolarHBondContact O-N 3.46Å; F57-A59 VanDerWaalsContact C-N 3.33Å; F57-A59 PolarHBondContact O-N 3.19Å; F57-W60 HydrophobicContact CD2-CE3 4.07Å; F57-W60 HydrophobicContact CD2-CZ3 4.39Å; F57-W60 HydrophobicContact CE2-CE3 4.04Å; F57-W60 AromaticContact CE2-CZ3 3.93Å; F57-W60 HydrophobicContact CE2-CZ3 3.93Å; F57-W60 PolarHBondContact O-N 3.3Å; F57-I61 HydrophobicContact CD1-CD1 3.81Å; F57-I61 HydrophobicContact CE1-CD1 3.28Å; F57-I61 HydrophobicContact CE1-CG1 4.41Å; F57-I61 HydrophobicContact CE2-CD1 4.13Å; F57-I61 HydrophobicContact CG-CD1 4.44Å; F57-I61 HydrophobicContact CZ-CD1 3.48Å; F57-I61 VanDerWaalsContact CZ-CD1 3.48Å; F57-I61 HydrophobicContact CZ-CG1 4.33Å; F57-I61 PolarHBondContact O-N 2.92Å
58L83.6Confident76.2Confident83 Ų83114.4 Ų114.444%0.43553%0.53SS..Hα-helixtrans-65.3-34.5176.8-74171.5000113.1L54 R55 R62L54-L58 WeakPolarHBondContact O-CB 3.22Å; L54-L58 VanDerWaalsContact O-CG 3.31Å; L54-L58 WeakPolarHBondContact O-CG 3.27Å; L54-L58 PolarHBondContact O-N 3.14Å; R55-L58 PolarHBondContact O-N 2.52Å; L58-R62 WeakPolarHBondContact O-CB 3.44Å; L58-R62 WeakPolarHBondContact O-CG 3.33Å; L58-R62 PolarHBondContact O-N 2.93Å
59A78.6Confident76.5Confident14 Ų14119.1 Ų119.112%0.11655%0.546CS..Hα-helixtrans-66.7-43.1175.100000111R55 R56 F57 R62 G63 R64 Y66R55-A59 WeakPolarHBondContact O-CB 3.27Å; R55-A59 PolarHBondContact O-N 2.96Å; R56-A59 PolarHBondContact O-N 3.14Å; F57-A59 VanDerWaalsContact C-N 3.33Å; F57-A59 PolarHBondContact O-N 3.19Å; A59-R62 CarbonylContact O-C 3.38Å; A59-R62 PolarHBondContact O-N 3.03Å; A59-G63 PolarHBondContact O-N 3.26Å; A59-R64 CarbonylContact C-O 3.57Å; A59-R64 WeakPolarHBondContact CB-O 3.47Å; A59-R64 PolarHBondContact O-N 3.44Å; A59-R64 VanDerWaalsContact O-O 3.07Å; A59-Y66 HydrophobicContact CB-CD2 4.4Å
60W81.3Confident76Confident196 Ų196124.3 Ų124.374%0.74256%0.562SS**Hα-helixtrans-59.9-49.4175.8176.864.7000112.4R56 F57 R62 G63R56-W60 PolarHBondContact O-N 2.95Å; F57-W60 HydrophobicContact CD2-CE3 4.07Å; F57-W60 HydrophobicContact CD2-CZ3 4.39Å; F57-W60 HydrophobicContact CE2-CE3 4.04Å; F57-W60 AromaticContact CE2-CZ3 3.93Å; F57-W60 HydrophobicContact CE2-CZ3 3.93Å; F57-W60 PolarHBondContact O-N 3.3Å; W60-R62 PolarHBondContact O-N 2.92Å; W60-G63 PolarHBondContact O-N 3.44Å
61I81.8Confident75.2Confident103 Ų103120.8 Ų120.853%0.52856%0.563SS.*Hα-helixtrans-59-35.9176.2-69.2173.3000111.9F57 G63F57-I61 HydrophobicContact CD1-CD1 3.81Å; F57-I61 HydrophobicContact CE1-CD1 3.28Å; F57-I61 HydrophobicContact CE1-CG1 4.41Å; F57-I61 HydrophobicContact CE2-CD1 4.13Å; F57-I61 HydrophobicContact CG-CD1 4.44Å; F57-I61 HydrophobicContact CZ-CD1 3.48Å; F57-I61 VanDerWaalsContact CZ-CD1 3.48Å; F57-I61 HydrophobicContact CZ-CG1 4.33Å; F57-I61 PolarHBondContact O-N 2.92Å; I61-G63 VanDerWaalsContact C-N 3.25Å; I61-G63 PolarHBondContact O-N 3.4Å
62R83Confident73.7Confident165 Ų165121 Ų12162%0.62358%0.58SS**THydrogen-bonded Turntrans-81.50.6179.5-74-176.1161.993.9-1.1113.9L58 A59 W60 R64L58-R62 WeakPolarHBondContact O-CB 3.44Å; L58-R62 WeakPolarHBondContact O-CG 3.33Å; L58-R62 PolarHBondContact O-N 2.93Å; A59-R62 CarbonylContact O-C 3.38Å; A59-R62 PolarHBondContact O-N 3.03Å; W60-R62 PolarHBondContact O-N 2.92Å; R62-R64 HydrophobicContact CB-CG 4.26Å; R62-R64 PolarHBondContact O-N 3.09Å
63G78Confident72.1Confident72 Ų72130.2 Ų130.274%0.74262%0.619SS**THydrogen-bonded Turntrans61.624.3-17400000113.4A59 W60 I61A59-G63 PolarHBondContact O-N 3.26Å; W60-G63 PolarHBondContact O-N 3.44Å; I61-G63 VanDerWaalsContact C-N 3.25Å; I61-G63 PolarHBondContact O-N 3.4Å
64R77Confident70.6Confident188 Ų188133.9 Ų133.971%0.70964%0.636SS**  trans-105.3142.3179.7-66.1-171.6-174.8-172.10.7110.3A59 R62 Y66A59-R64 CarbonylContact C-O 3.57Å; A59-R64 WeakPolarHBondContact CB-O 3.47Å; A59-R64 PolarHBondContact O-N 3.44Å; A59-R64 VanDerWaalsContact O-O 3.07Å; R62-R64 HydrophobicContact CB-CG 4.26Å; R62-R64 PolarHBondContact O-N 3.09Å; R64-Y66 PolarHBondContact O-N 3.39Å
65K77.9Confident68.9Low198 Ų198139.4 Ų139.486%0.86166%0.656SS**  trans-66.6128.3171.6-64.8-173.4179.2-178.40109.2T67K65-T67 PolarHBondContact O-N 3.06Å; K65-T67 VanDerWaalsContact O-N 3.09Å
66Y74Confident66.9Low75 Ų75138.5 Ų138.529%0.29467%0.671SS.*  trans-70.9103.8172.8177.8-110.3000110D52 R55 R56 A59 R64 R68D52-Y66 WeakPolarHBondContact OD1-CE1 3.38Å; D52-Y66 PolarHBondContact OD1-OH 3.02Å; R55-Y66 HydrophobicContact CB-CD2 4.26Å; R55-Y66 HydrophobicContact CB-CE2 3.63Å; R56-Y66 HydrophobicContact CG-CD1 3.49Å; R56-Y66 VanDerWaalsContact CG-CD1 3.49Å; R56-Y66 HydrophobicContact CG-CD2 4.16Å; R56-Y66 HydrophobicContact CG-CE1 3.69Å; R56-Y66 HydrophobicContact CG-CE2 4.39Å; R56-Y66 HydrophobicContact CG-CG 3.73Å; A59-Y66 HydrophobicContact CB-CD2 4.4Å; R64-Y66 PolarHBondContact O-N 3.39Å; Y66-R68 HydrophobicContact CD1-CB 4.5Å; Y66-R68 HydrophobicContact CE1-CB 3.76Å; Y66-R68 HydrophobicContact CE1-CG 4.36Å
67T68.4Low65.1Low119 Ų119137.4 Ų137.473%0.7368%0.682SS**  trans-89.8100.2167.748.20000108.6K65 E69K65-T67 PolarHBondContact O-N 3.06Å; K65-T67 VanDerWaalsContact O-N 3.09Å; T67-E69 PolarHBondContact O-N 2.93Å
68R64.7Low63.4Low153 Ų153136.8 Ų136.858%0.57770%0.698SS**  trans-60.6119.6161.8-166.8176.9-173.7-1702.8106.3Y66 K70Y66-R68 HydrophobicContact CD1-CB 4.5Å; Y66-R68 HydrophobicContact CE1-CB 3.76Å; Y66-R68 HydrophobicContact CE1-CG 4.36Å; R68-K70 VanDerWaalsContact C-N 3.26Å; R68-K70 PolarHBondContact O-N 3.01Å
69E65.3Low61.6Low186 Ų186137 Ų13787%0.86971%0.706SS**  trans-57101.6165-74.3-171.7176.200106.2T67T67-E69 PolarHBondContact O-N 2.93Å
70K52.7Low59.9Low186 Ų186146.2 Ų146.281%0.80974%0.738SS**  trans-68.6127.9179.4-71.3177.2179.31730105.5R68 A72R68-K70 VanDerWaalsContact C-N 3.26Å; R68-K70 PolarHBondContact O-N 3.01Å; K70-A72 PolarHBondContact O-N 3.31Å
71P52Low58.8Low111 Ų111142.3 Ų142.372%0.72174%0.738SS**  trans-53.8138.2160.524.2-30.8000107.3K73P71-K73 PolarHBondContact O-N 3.39Å
72A45.2Very low57.4Low96 Ų96145.8 Ų145.879%0.79375%0.749SS**SBendtrans-42.1132.5-177.400000110.7K70 M74K70-A72 PolarHBondContact O-N 3.31Å; A72-M74 PolarHBondContact O-N 3.03Å
73K44.8Very low55.6Low212 Ų212140.8 Ų140.892%0.92275%0.75SS**  trans-29.8102-170.8-58.5-171.4-178.3-1790113.8P71P71-K73 PolarHBondContact O-N 3.39Å
74M49.3Very low54.1Low188 Ų188142.3 Ų142.393%0.92674%0.737SS**  trans-101.1136.8149.8-78.7174.189.500108.5A72A72-M74 PolarHBondContact O-N 3.03Å
75K45.4Very low52.7Low210 Ų210142 Ų14291%0.91374%0.741SS**  trans-61.7137.1-158.7-59.4163.3-174.7177.40110.6S77K75-S77 PolarHBondContact O-N 3.29Å
76S40.6Very low51.3Low120 Ų120137.6 Ų137.684%0.83973%0.73SS**  trans-48.5102.9176.4170.80000112.3
77S43.2Very low50.2Low100 Ų100137.9 Ų137.970%0.69974%0.74SS**  trans-123.893.1142.2-176.60000105.3K75 S79K75-S77 PolarHBondContact O-N 3.29Å; S77-S79 PolarHBondContact O-N 2.99Å
78A44.2Very low49.2Very low97 Ų97140.3 Ų140.380%0.80275%0.749SS**  trans-6872.9167.100000107.7
79S46.7Very low48.3Very low87 Ų87134.9 Ų134.961%0.60874%0.74SS**  trans-75.6123.9157.351.70000105.8S77S77-S79 PolarHBondContact O-N 2.99Å
80W43Very low47.6Very low209 Ų209133.1 Ų133.179%0.79274%0.737SS**  trans-52.8138.3160.9-7491.4000107F82 G83W80-F82 PolarHBondContact O-N 3.44Å; W80-G83 PolarHBondContact O-N 3.31Å
81P58.3Low47.5Very low114 Ų114130 Ų13074%0.7472%0.724SS**THydrogen-bonded Turntrans-61.5-14.218025.4-33.7000112.2G83P81-G83 VanDerWaalsContact C-N 3.31Å
82F51.9Low47.4Very low175 Ų175130.3 Ų130.377%0.76872%0.719SS**THydrogen-bonded Turntrans-95.937.3169.2-43.3-66.2000112.4W80 H84W80-F82 PolarHBondContact O-N 3.44Å; F82-H84 PolarHBondContact O-N 3.18Å
83G44.5Very low47.7Very low61 Ų61135.9 Ų135.963%0.62973%0.725SS**  trans-62.768.7154.400000108.1W80 P81 K85W80-G83 PolarHBondContact O-N 3.31Å; P81-G83 VanDerWaalsContact C-N 3.31Å; G83-K85 PolarHBondContact O-N 2.9Å
84H47.2Very low48.2Very low104 Ų104132.8 Ų132.848%0.48171%0.712SS.*  trans-66.489.9174.1-172.2-76.4000104.7F82 V86 F91F82-H84 PolarHBondContact O-N 3.18Å; H84-V86 WeakPolarHBondContact O-CG2 3.31Å; H84-V86 PolarHBondContact O-N 3.23Å; H84-F91 AromaticContact CE1-CD2 3.72Å; H84-F91 AromaticContact CE1-CE1 3.69Å; H84-F91 AromaticContact CE1-CE2 3.22Å; H84-F91 WeakPolarHBondContact CE1-CE2 3.33Å; H84-F91 AromaticContact CE1-CZ 3.2Å; H84-F91 WeakPolarHBondContact CE1-CZ 3.34Å; H84-F91 AromaticContact NE2-CD1 3.78Å; H84-F91 AromaticContact NE2-CE1 3.22Å; H84-F91 WeakPolarHBondContact NE2-CE1 3.42Å; H84-F91 AromaticContact NE2-CE2 3.69Å; H84-F91 AromaticContact NE2-CZ 3.17Å; H84-F91 WeakPolarHBondContact NE2-CZ 3.4Å
85K46.8Very low48.4Very low180 Ų180130 Ų13078%0.78370%0.7SS**  trans-54.1100.9159.6-118.7-178.6175.7-166.80103.8G83 T87G83-K85 PolarHBondContact O-N 2.9Å; K85-T87 PolarHBondContact O-N 3.18Å
86V49.6Very low48.7Very low106 Ų106127.4 Ų127.464%0.64270%0.696SS**  trans-68.582169.3-158.10000103.8H84 N88H84-V86 WeakPolarHBondContact O-CG2 3.31Å; H84-V86 PolarHBondContact O-N 3.23Å; V86-N88 PolarHBondContact O-N 3.22Å
87T49.5Very low49.3Very low81 Ų81126.8 Ų126.850%0.49769%0.687SS.*  trans-61.7123.7164.244.10000104.6K85 G89K85-T87 PolarHBondContact O-N 3.18Å; T87-G89 PolarHBondContact O-N 2.84Å
88N48.3Very low49.8Very low171 Ų171128.2 Ų128.291%0.91469%0.685SS**SBendtrans-65.638.8172.8-71.2-31.4000111.8V86V86-N88 PolarHBondContact O-N 3.22Å
89G46.3Very low50.1Low39 Ų39128.5 Ų128.540%0.40268%0.68SS.*SBendtrans-132.495.3-178.600000107.4T87 F91T87-G89 PolarHBondContact O-N 2.84Å; G89-F91 PolarHBondContact O-N 3.34Å; G89-F91 VanDerWaalsContact O-N 3.15Å
90N50.2Low50.5Low149 Ų149130.1 Ų130.180%0.79769%0.687SS**  trans49.251.8151.1-57.812.5000116.2L92N90-L92 PolarHBondContact O-N 3.25Å
91F50.4Low51.1Low120 Ų120126.7 Ų126.753%0.52668%0.683SS.*  trans-60.797.1150.7-77.1-80.9000106.3H84 G89 K93H84-F91 AromaticContact CE1-CD2 3.72Å; H84-F91 AromaticContact CE1-CE1 3.69Å; H84-F91 AromaticContact CE1-CE2 3.22Å; H84-F91 WeakPolarHBondContact CE1-CE2 3.33Å; H84-F91 AromaticContact CE1-CZ 3.2Å; H84-F91 WeakPolarHBondContact CE1-CZ 3.34Å; H84-F91 AromaticContact NE2-CD1 3.78Å; H84-F91 AromaticContact NE2-CE1 3.22Å; H84-F91 WeakPolarHBondContact NE2-CE1 3.42Å; H84-F91 AromaticContact NE2-CE2 3.69Å; H84-F91 AromaticContact NE2-CZ 3.17Å; H84-F91 WeakPolarHBondContact NE2-CZ 3.4Å; G89-F91 PolarHBondContact O-N 3.34Å; G89-F91 VanDerWaalsContact O-N 3.15Å; F91-K93 PolarHBondContact O-N 3.01Å; F91-K93 VanDerWaalsContact O-N 3.1Å
92L49.9Very low50.9Low118 Ų118126.9 Ų126.962%0.61868%0.684SS**  trans-46.2121.2173.9-66.2141.7000104.8N90 K94N90-L92 PolarHBondContact O-N 3.25Å; L92-K94 HydrophobicContact CB-CB 4.28Å; L92-K94 HydrophobicContact CB-CD 3.68Å; L92-K94 HydrophobicContact CB-CG 3.79Å; L92-K94 HydrophobicContact CD1-CD 4.36Å; L92-K94 HydrophobicContact CD2-CD 4.27Å; L92-K94 HydrophobicContact CG-CD 4.31Å; L92-K94 PolarHBondContact O-N 3.42Å
93K51.9Low51Low213 Ų213124 Ų12493%0.92668%0.68SS**  trans-58.619.5174.9-72.3176172.5178.60113.4F91 D95F91-K93 PolarHBondContact O-N 3.01Å; F91-K93 VanDerWaalsContact O-N 3.1Å; K93-D95 VanDerWaalsContact C-N 3.31Å; K93-D95 PolarHBondContact O-N 2.87Å
94K54.3Low51.4Low147 Ų147124.6 Ų124.664%0.63968%0.679SS**  trans-71.591.6-178.5-65.9174.9-178.8-177.60107.2L92L92-K94 HydrophobicContact CB-CB 4.28Å; L92-K94 HydrophobicContact CB-CD 3.68Å; L92-K94 HydrophobicContact CB-CG 3.79Å; L92-K94 HydrophobicContact CD1-CD 4.36Å; L92-K94 HydrophobicContact CD2-CD 4.27Å; L92-K94 HydrophobicContact CG-CD 4.31Å; L92-K94 PolarHBondContact O-N 3.42Å
95D53.5Low51.8Low129 Ų129125.4 Ų125.469%0.6969%0.694SS**  trans70.962.8141.1-45.6-31000114.6K93 T97K93-D95 VanDerWaalsContact C-N 3.31Å; K93-D95 PolarHBondContact O-N 2.87Å; D95-T97 PolarHBondContact O-N 2.72Å; D95-T97 PolarHBondContact O-OG1 3.38Å
96L53.1Low52.2Low156 Ų156122.4 Ų122.482%0.81769%0.685SS**  trans-62.288.5153.2-176.171.5000107.8I98L96-I98 HydrophobicContact CD2-CD1 4.32Å; L96-I98 HydrophobicContact CD2-CG1 4.09Å; L96-I98 HydrophobicContact CG-CG1 4.06Å; L96-I98 PolarHBondContact O-N 2.72Å; L96-I98 VanDerWaalsContact O-N 3.14Å
97T53.3Low52.4Low107 Ų107125.9 Ų125.966%0.65669%0.694SS**  trans-80.597.7174.9-48.50000106.5D95 C99D95-T97 PolarHBondContact O-N 2.72Å; D95-T97 PolarHBondContact O-OG1 3.38Å; T97-C99 VanDerWaalsContact C-N 3.31Å; T97-C99 PolarHBondContact O-N 2.79Å
98I53.1Low52.6Low130 Ų130125.1 Ų125.167%0.66770%0.696SS**  trans-7292.6174.9-56.7173000106.6L96 T100L96-I98 HydrophobicContact CD2-CD1 4.32Å; L96-I98 HydrophobicContact CD2-CG1 4.09Å; L96-I98 HydrophobicContact CG-CG1 4.06Å; L96-I98 PolarHBondContact O-N 2.72Å; L96-I98 VanDerWaalsContact O-N 3.14Å; I98-T100 PolarHBondContact O-N 3.08Å
99C51.2Low53Low102 Ų102125.7 Ų125.769%0.68969%0.69SS**  trans-71.695.5169.1-64.60000107.9T97 I101T97-C99 VanDerWaalsContact C-N 3.31Å; T97-C99 PolarHBondContact O-N 2.79Å; C99-I101 PolarHBondContact O-N 2.9Å
100T55.1Low53.7Low122 Ų122130.8 Ų130.875%0.74871%0.708SS**  trans-64.3105.9170.7-54.50000108.3I98 P102I98-T100 PolarHBondContact O-N 3.08Å; T100-P102 WeakPolarHBondContact O-CD 3.48Å
101I55.2Low53.9Low137 Ų137133 Ų13370%0.70371%0.705SS**  trans-76.5118.2172.8-59.7171.9000106.5C99 V103C99-I101 PolarHBondContact O-N 2.9Å; I101-V103 PolarHBondContact O-N 2.87Å
102P53.5Low54.3Low118 Ų118132.3 Ų132.377%0.76671%0.713SS**  trans-64.4105.1170.526-30.9000107.7T100 A104T100-P102 WeakPolarHBondContact O-CD 3.48Å; P102-A104 PolarHBondContact O-N 2.97Å
103V54.1Low54.7Low115 Ų115135.8 Ų135.870%0.69772%0.719SS**  trans-70.8102.1169.2-179.30000105.4I101I101-V103 PolarHBondContact O-N 2.87Å
104A53.7Low55Low73 Ų73131.7 Ų131.760%0.60371%0.706SS**  trans-53.7136.5165.200000107.3P102 I106P102-A104 PolarHBondContact O-N 2.97Å; A104-I106 PolarHBondContact O-N 2.91Å
105P55.3Low55.2Low121 Ų121130.4 Ų130.479%0.78671%0.706SS**  trans-54111.8175.721-29.7000106.8E107P105-E107 VanDerWaalsContact C-N 3.25Å; P105-E107 PolarHBondContact O-N 3.23Å
106I54.5Low55.3Low117 Ų117131.2 Ų131.260%0.671%0.711SS**  trans-68100.5174.2-52.4172000102.4A104 A108A104-I106 PolarHBondContact O-N 2.91Å; I106-A108 HydrophobicContact CB-CB 4.46Å; I106-A108 HydrophobicContact CG2-CB 3.86Å; I106-A108 PolarHBondContact O-N 2.96Å
107E53.8Low55.3Low179 Ų179131.6 Ų131.684%0.83671%0.708SS**  trans-59.983.8154.1-73.7-166.1166.900104.8P105 K109P105-E107 VanDerWaalsContact C-N 3.25Å; P105-E107 PolarHBondContact O-N 3.23Å; E107-K109 PolarHBondContact O-N 3.36Å
108A54.7Low55.3Low64 Ų64134.1 Ų134.153%0.52972%0.718SS.*G310 helixtrans-75.539.9-173.600000110.4I106 D110I106-A108 HydrophobicContact CB-CB 4.46Å; I106-A108 HydrophobicContact CG2-CB 3.86Å; I106-A108 PolarHBondContact O-N 2.96Å; A108-D110 VanDerWaalsContact C-N 3.33Å
109K55.3Low55.2Low184 Ų184135.4 Ų135.480%0.873%0.726SS**G310 helixtrans-81.9-14.8-174.2-158.6140.8-1731770113.1E107E107-K109 PolarHBondContact O-N 3.36Å
110D60.7Low54.9Low145 Ų145134.6 Ų134.678%0.77572%0.722SS**G310 helixtrans-123.526.7-171.5-60.6-39.3000114A108 P112A108-D110 VanDerWaalsContact C-N 3.33Å; D110-P112 VanDerWaalsContact O-CD 3.23Å; D110-P112 WeakPolarHBondContact O-CD 3.23Å
111W54.9Low54.7Low196 Ų196134 Ų13474%0.74272%0.72SS**  trans-78115.6160.7-67.593.5000107.1Y113W111-Y113 PolarHBondContact O-N 3.09Å
112P58.9Low54.2Low105 Ų105134.1 Ų134.168%0.68273%0.727SS**  trans-59.5110.6170.624.4-31000106.8D110 I114D110-P112 VanDerWaalsContact O-CD 3.23Å; D110-P112 WeakPolarHBondContact O-CD 3.23Å; P112-I114 PolarHBondContact O-N 3.1Å; P112-I114 VanDerWaalsContact O-N 3.08Å
113Y57.8Low53.3Low191 Ų191137.5 Ų137.575%0.74973%0.729SS**  trans-61.3113.5168-173.4-97.8000105.5W111 D115W111-Y113 PolarHBondContact O-N 3.09Å; Y113-D115 WeakPolarHBondContact CD1-OD1 3.18Å; Y113-D115 WeakPolarHBondContact CE1-OD1 3.18Å; Y113-D115 PolarHBondContact O-N 3.14Å
114I58.3Low52.7Low127 Ų127140.1 Ų140.165%0.65176%0.764SS**  trans-77.2106.2171-64.4138.6000103.4P112 D116P112-I114 PolarHBondContact O-N 3.1Å; P112-I114 VanDerWaalsContact O-N 3.08Å; I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.28Å
115D59.6Low52.6Low121 Ų121143.5 Ų143.565%0.64777%0.772SS**  trans-60.698.9167.6-74.1-43.9000106.9Y113 E117Y113-D115 WeakPolarHBondContact CD1-OD1 3.18Å; Y113-D115 WeakPolarHBondContact CE1-OD1 3.18Å; Y113-D115 PolarHBondContact O-N 3.14Å; D115-E117 PolarHBondContact O-N 3.07Å
116D56Low52.5Low146 Ų146144.7 Ų144.778%0.78177%0.771SS**  trans-74.551.3165.6-71.1-49.2000109.2I114I114-D116 VanDerWaalsContact C-N 3.29Å; I114-D116 PolarHBondContact O-N 3.28Å
117E52Low52.4Low164 Ų164146.2 Ų146.277%0.76678%0.78SS**  trans-129.172.6-179.2-73.7-78.3133.400109.5D115D115-E117 PolarHBondContact O-N 3.07Å
118D53.1Low52.3Low160 Ų160144.3 Ų144.386%0.85678%0.777SS**  trans-163.630.6151-106-32.6000112.7
119D50.8Low52.1Low157 Ų157149.3 Ų149.384%0.8479%0.792SS**  trans-111.363.7161-127.9-53.6000107.2P121D119-P121 WeakPolarHBondContact O-CD 2.89Å
120S46.3Very low51.9Low85 Ų85147 Ų14759%0.59479%0.792SS**  trans-77.2103.8160.454.20000107.9T122S120-T122 VanDerWaalsContact C-N 3.28Å; S120-T122 PolarHBondContact O-N 2.88Å
121P50.3Low51.3Low109 Ų109147.1 Ų147.171%0.70879%0.793SS**  trans-69.795158.529.5-33.2000106.5D119 K123D119-P121 WeakPolarHBondContact O-CD 2.89Å; P121-K123 VanDerWaalsContact C-N 3.32Å; P121-K123 PolarHBondContact O-N 3.18Å
122T43.9Very low51Low139 Ų139143.4 Ų143.485%0.85380%0.797SS**  trans-63.1107.2164.6-52.80000107.1S120S120-T122 VanDerWaalsContact C-N 3.28Å; S120-T122 PolarHBondContact O-N 2.88Å
123K35.5Very low50.4Low189 Ų189146.6 Ų146.682%0.82281%0.807SS**  trans-68.5144-172.3-177.1-178.4-177.4-178.90112P121P121-K123 VanDerWaalsContact C-N 3.32Å; P121-K123 PolarHBondContact O-N 3.18Å
124A40.6Very low49.7Very low171 Ų171142.5 Ų142.5100%1.41381%0.812SS**  trans71.80156.500000118.4

Retrieved 124 of 124 residues in 215.7 ms (Link to these results)