A0A077Z881_TRITR Loading...

Putative phosphatidate cytidylyltransferase

AlphaFold DB , UniProt , Accession A0A077Z881, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 163 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
1M42.5Very low42.6Very low234 Ų234159.5 Ų159.5100%1.15383%0.825SS**  092.20-68.3172.213900105.7
2S34.7Very low42.3Very low94 Ų94158.2 Ų158.266%0.65782%0.82SS**  65.9120105.1-44.50000110.4
3Y43.9Very low42.3Very low208 Ų208160.3 Ų160.382%0.81683%0.828SS**  cis-150.6139.145.6-77.9-92.1000113
4D37.3Very low42.2Very low150 Ų150160.3 Ų160.380%0.80283%0.83SS**  trans-68.1128.5166.3-64.2-57.4000111V6D4-V6 HydrophobicContact CB-CG2 4.49Å
5W48Very low41.7Very low246 Ų246161.6 Ų161.693%0.93284%0.838SS**  trans-101.694.6163.7-73.588.9000108.2P7W5-P7 WeakPolarHBondContact O-CD 3.43Å
6V39.5Very low41.4Very low115 Ų115155.5 Ų155.570%0.69783%0.827SS**  trans-84.6119.1169.5176.60000108.2D4 N8D4-V6 HydrophobicContact CB-CG2 4.49Å; V6-N8 PolarHBondContact O-N 3.32Å
7P55.1Low41.4Very low121 Ų121152.1 Ų152.179%0.78682%0.817SS**  trans-83.599.3161.818.3-3.1000107.9W5 N9W5-P7 WeakPolarHBondContact O-CD 3.43Å; P7-N9 PolarHBondContact O-N 3.32Å
8N35.3Very low41.4Very low144 Ų144149.9 Ų149.977%0.7782%0.816SS**  trans-78.297.7165.6-161.414.1000107.1V6V6-N8 PolarHBondContact O-N 3.32Å
9N46.6Very low41.8Very low145 Ų145148.7 Ų148.778%0.77581%0.807SS**  trans-150.6117.7164.4-94.6-18.3000109.1P7 V11P7-N9 PolarHBondContact O-N 3.32Å; N9-V11 PolarHBondContact O-N 3.06Å; N9-V11 VanDerWaalsContact O-N 3.09Å
10N35.1Very low42.1Very low163 Ų163145.1 Ų145.187%0.87279%0.792SS**  trans-48.4110.7166.7-77.7-46.5000109.9
11V50.3Low42.3Very low135 Ų135141.9 Ų141.982%0.81879%0.792SS**  trans-128.5116.8159.1-177.90000106.8N9N9-V11 PolarHBondContact O-N 3.06Å; N9-V11 VanDerWaalsContact O-N 3.09Å
12D39.5Very low42.4Very low143 Ų143138.8 Ų138.877%0.76577%0.769SS**  trans-50.4138.8-175.1-62.2-69.1000113.2N14D12-N14 PolarHBondContact O-N 3.33Å
13M42.1Very low43.1Very low186 Ų186140.4 Ų140.492%0.91677%0.769SS**SBendtrans-6.192152.4-69.4-103.2132.600114.7
14N40.5Very low43Very low160 Ų160135.8 Ų135.886%0.85677%0.766SS**  trans-158.145.6158.3-97.2-32.9000110.5D12 G16D12-N14 PolarHBondContact O-N 3.33Å; N14-G16 PolarHBondContact O-N 3.23Å
15D34.5Very low43.3Very low180 Ų180138.7 Ų138.796%0.96377%0.768SS**  trans-74.8100.3155.5-81-35.8000107.4
16G36.8Very low42.9Very low64 Ų64129.5 Ų129.566%0.6675%0.749SS**  trans-17364.6-17100000116.2N14N14-G16 PolarHBondContact O-N 3.23Å
17C41.3Very low43Very low97 Ų97128.5 Ų128.566%0.65575%0.748SS**  trans75.6106.3154.4-145.30000116.1I19C17-I19 VanDerWaalsContact C-N 3.29Å; C17-I19 HydrophobicContact CB-CG1 4.44Å; C17-I19 PolarHBondContact O-N 3.38Å
18S41.8Very low42.6Very low114 Ų114129.7 Ų129.780%0.79776%0.755SS**  trans-55.295148.654.70000108.5P20S18-P20 WeakPolarHBondContact O-CD 3.46Å
19I49.5Very low43.2Very low127 Ų127127 Ų12765%0.65175%0.753SS**  trans-72.7108.8177.6-56.3174.3000106.7C17 G21 Y22C17-I19 VanDerWaalsContact C-N 3.29Å; C17-I19 HydrophobicContact CB-CG1 4.44Å; C17-I19 PolarHBondContact O-N 3.38Å; I19-G21 PolarHBondContact O-N 3.28Å; I19-Y22 HydrophobicContact CG2-CE2 4.1Å
20P47.4Very low43Very low76 Ų76123.4 Ų123.449%0.49474%0.739SS.*  trans-63.1123.3168.1-6.124.2000106.3S18 Y22S18-P20 WeakPolarHBondContact O-CD 3.46Å; P20-Y22 VanDerWaalsContact C-N 3.27Å; P20-Y22 HydrophobicContact CB-CD1 4.1Å; P20-Y22 HydrophobicContact CB-CE1 3.79Å; P20-Y22 WeakPolarHBondContact CD-OH 3.41Å; P20-Y22 HydrophobicContact CG-CD1 4.44Å; P20-Y22 HydrophobicContact CG-CE1 3.66Å; P20-Y22 VanDerWaalsContact O-CD1 3.3Å; P20-Y22 WeakPolarHBondContact O-CD1 3.48Å; P20-Y22 VanDerWaalsContact O-CD2 3.23Å; P20-Y22 WeakPolarHBondContact O-CD2 3.41Å; P20-Y22 VanDerWaalsContact O-CE1 3.29Å; P20-Y22 WeakPolarHBondContact O-CE1 3.26Å; P20-Y22 WeakPolarHBondContact O-CE2 3.02Å; P20-Y22 VanDerWaalsContact O-CG 3.28Å; P20-Y22 VanDerWaalsContact O-CZ 3.26Å; P20-Y22 PolarHBondContact O-N 3.18Å
21G46.1Very low43.4Very low77 Ų77124.6 Ų124.679%0.79475%0.745SS**  trans-64.387.9174.400000110.3I19 I23I19-G21 PolarHBondContact O-N 3.28Å; G21-I23 PolarHBondContact O-N 3.45Å
22Y45.3Very low43.3Very low170 Ų170127.9 Ų127.967%0.66774%0.742SS**  trans-77112.1172.2-10.3-95.7000108.3I19 P20 S24I19-Y22 HydrophobicContact CG2-CE2 4.1Å; P20-Y22 VanDerWaalsContact C-N 3.27Å; P20-Y22 HydrophobicContact CB-CD1 4.1Å; P20-Y22 HydrophobicContact CB-CE1 3.79Å; P20-Y22 WeakPolarHBondContact CD-OH 3.41Å; P20-Y22 HydrophobicContact CG-CD1 4.44Å; P20-Y22 HydrophobicContact CG-CE1 3.66Å; P20-Y22 VanDerWaalsContact O-CD1 3.3Å; P20-Y22 WeakPolarHBondContact O-CD1 3.48Å; P20-Y22 VanDerWaalsContact O-CD2 3.23Å; P20-Y22 WeakPolarHBondContact O-CD2 3.41Å; P20-Y22 VanDerWaalsContact O-CE1 3.29Å; P20-Y22 WeakPolarHBondContact O-CE1 3.26Å; P20-Y22 WeakPolarHBondContact O-CE2 3.02Å; P20-Y22 VanDerWaalsContact O-CG 3.28Å; P20-Y22 VanDerWaalsContact O-CZ 3.26Å; P20-Y22 PolarHBondContact O-N 3.18Å; Y22-S24 PolarHBondContact O-N 3.32Å
23I49.4Very low43.9Very low128 Ų128128.6 Ų128.666%0.65674%0.744SS**  trans-75.1102.7163.5-57.8171.8000106G21 Y25G21-I23 PolarHBondContact O-N 3.45Å; I23-Y25 HydrophobicContact CB-CE2 4.38Å; I23-Y25 HydrophobicContact CG2-CE1 4.32Å; I23-Y25 HydrophobicContact CG2-CE2 4.29Å; I23-Y25 WeakPolarHBondContact O-CD2 3.37Å; I23-Y25 PolarHBondContact O-N 3.45Å
24S42.6Very low44.3Very low110 Ų110125.8 Ų125.877%0.76974%0.737SS**  trans-72.1109.1171.8-175.10000109Y22 G26Y22-S24 PolarHBondContact O-N 3.32Å; S24-G26 PolarHBondContact O-N 3.36Å
25Y43.2Very low44.8Very low212 Ų212126.4 Ų126.483%0.83173%0.732SS**  trans-75.860169.6-62.2-85.7000109.8I23I23-Y25 HydrophobicContact CB-CE2 4.38Å; I23-Y25 HydrophobicContact CG2-CE1 4.32Å; I23-Y25 HydrophobicContact CG2-CE2 4.29Å; I23-Y25 WeakPolarHBondContact O-CD2 3.37Å; I23-Y25 PolarHBondContact O-N 3.45Å
26G39.9Very low45.4Very low53 Ų53124.5 Ų124.555%0.54672%0.722SS.*  trans-102.294.7179.100000111.2S24S24-G26 PolarHBondContact O-N 3.36Å
27S40.4Very low45.9Very low94 Ų94128.8 Ų128.866%0.65773%0.73SS**  trans59.1126.7163.9-153.80000117.2A29S27-A29 PolarHBondContact O-N 3.49Å
28P48Very low45.9Very low145 Ų145132.4 Ų132.494%0.94274%0.737SS**THydrogen-bonded Turntrans-67.312-174.928.4-35.4000115.6
29A47.1Very low46.2Very low87 Ų87135.1 Ų135.172%0.71974%0.742SS**THydrogen-bonded Turntrans-113.5-1.1-166.100000115.9S27S27-A29 PolarHBondContact O-N 3.49Å
30S41.4Very low45.8Very low71 Ų71134.2 Ų134.250%0.49775%0.753SS.*  trans-155.973.4-175.1-153.80000114R32S30-R32 PolarHBondContact O-N 2.61Å; S30-R32 PolarHBondContact OG-NE 3.29Å
31L44.3Very low45.5Very low188 Ų188137.8 Ų137.898%0.98477%0.768SS**  trans-79.491160.9-74.1170000108.4
32R47.7Very low45.1Very low204 Ų204143.6 Ų143.677%0.7777%0.772SS**  trans-102.6114.4168.114.9-178171.2162.63.9107.6S30 V34S30-R32 PolarHBondContact O-N 2.61Å; S30-R32 PolarHBondContact OG-NE 3.29Å; R32-V34 PolarHBondContact O-N 3.2Å
33I52.4Low45.2Very low158 Ų158140.9 Ų140.981%0.8177%0.772SS**  trans-76.3106.2169.5-58171.6000105.6K35I33-K35 PolarHBondContact O-N 3.1Å
34V51.7Low44.6Very low126 Ų126140.6 Ų140.676%0.76478%0.782SS**  trans-67.1111.2164.4178.60000105.5R32R32-V34 PolarHBondContact O-N 3.2Å
35K51.1Low44.9Very low173 Ų173142.3 Ų142.375%0.75278%0.782SS**  trans-103.4113.3178.2-169.2175.7-179.1179.70107.1I33 D37I33-K35 PolarHBondContact O-N 3.1Å; K35-D37 PolarHBondContact O-N 2.81Å
36D46Very low45.1Very low140 Ų140136.3 Ų136.375%0.74977%0.771SS**  trans-65.8127.4173.3-65.7-48.4000110H38D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 3.06Å; D36-H38 VanDerWaalsContact O-N 3.09Å
37D46.6Very low45.7Very low155 Ų155139.7 Ų139.783%0.82978%0.783SS**  trans-79.624.8-164-83.7-38.3000115.8K35K35-D37 PolarHBondContact O-N 2.81Å
38H42.3Very low46.1Very low173 Ų173140.5 Ų140.580%0.80178%0.784SS**  trans-108.820.6-162.2-82.4-67000118.7D36D36-H38 VanDerWaalsContact C-N 3.28Å; D36-H38 PolarHBondContact O-N 3.06Å; D36-H38 VanDerWaalsContact O-N 3.09Å
39L47.8Very low46.3Very low170 Ų170138.8 Ų138.889%0.8977%0.772SS**  trans-136.187.6172.5-80165.5000112.4N41L39-N41 PolarHBondContact O-N 3Å
40A40.9Very low46.2Very low108 Ų108137.8 Ų137.889%0.89376%0.76SS**  trans-59.393158.800000110
41N40.4Very low46.7Very low152 Ų152142.6 Ų142.681%0.81378%0.779SS**  trans-144133.3153.1-146.4-10.9000111.2L39 V43L39-N41 PolarHBondContact O-N 3Å; N41-V43 PolarHBondContact O-N 3.03Å; N41-V43 VanDerWaalsContact O-N 3.1Å
42K38.6Very low46.9Very low199 Ų199141.2 Ų141.287%0.86577%0.772SS**  trans-74.494.5-161.4-61.5179175.2-169.70110.8
43V46.6Very low46.8Very low113 Ų113135.8 Ų135.869%0.68577%0.765SS**  trans-142.3104.3152.6-171.10000107.8N41 L45N41-V43 PolarHBondContact O-N 3.03Å; N41-V43 VanDerWaalsContact O-N 3.1Å; V43-L45 VanDerWaalsContact C-N 3.29Å; V43-L45 HydrophobicContact CG1-CD2 4.14Å; V43-L45 HydrophobicContact CG1-CG 3.97Å; V43-L45 PolarHBondContact O-N 3.35Å
44S38.1Very low46.5Very low121 Ų121135.7 Ų135.785%0.84677%0.766SS**  trans-60.789.9169.3179.50000109
45L49.5Very low46.4Very low147 Ų147140.3 Ų140.377%0.7777%0.769SS**  trans-101.390.4163.1-65.1178.8000106.2V43V43-L45 VanDerWaalsContact C-N 3.29Å; V43-L45 HydrophobicContact CG1-CD2 4.14Å; V43-L45 HydrophobicContact CG1-CG 3.97Å; V43-L45 PolarHBondContact O-N 3.35Å
46S45.8Very low46.5Very low86 Ų86139.6 Ų139.660%0.60177%0.772SS**  trans-51125.7169.969.80000108.3V48S46-V48 PolarHBondContact O-N 3.23Å
47P52.7Low46.7Very low124 Ų124138.4 Ų138.481%0.80577%0.77SS**  trans-80.573.6177.934-30.7000106.8P49P47-P49 WeakPolarHBondContact O-CD 3.36Å
48V49.3Very low47Very low111 Ų111139 Ų13967%0.67377%0.768SS**  trans-79.9109164.9178.10000105.3S46 S50S46-V48 PolarHBondContact O-N 3.23Å; V48-S50 PolarHBondContact O-N 3.11Å
49P52.5Low47.7Very low108 Ų108134.2 Ų134.270%0.70175%0.751SS**  trans-64.4111.316828.4-30.1000105.5P47 L51P47-P49 WeakPolarHBondContact O-CD 3.36Å; P49-L51 PolarHBondContact O-N 3.39Å
50S45.1Very low48.2Very low67 Ų67129.6 Ų129.647%0.46973%0.731SS.*  trans-61.7109.217785.90000107.3V48 L52 S53V48-S50 PolarHBondContact O-N 3.11Å; S50-L52 PolarHBondContact O-N 3.37Å; S50-S53 PolarHBondContact OG-OG 2.88Å
51L50.6Low49Very low171 Ų171129.2 Ų129.290%0.89572%0.719SS**THydrogen-bonded Turntrans-64.18.9166.6-93.4158.8000112.6P49P49-L51 PolarHBondContact O-N 3.39Å
52L48.5Very low49.6Very low160 Ų160127.7 Ų127.784%0.83871%0.707SS**THydrogen-bonded Turntrans-114.96.7-171.1-68.7167.7000113.8S50S50-L52 PolarHBondContact O-N 3.37Å
53S46.5Very low50.3Low89 Ų89121.9 Ų121.962%0.62269%0.685SS**  trans-97.410.3179-72.50000115S50 R55S50-S53 PolarHBondContact OG-OG 2.88Å; S53-R55 PolarHBondContact O-N 3.23Å
54L45.2Very low50.6Low157 Ų157125.1 Ų125.182%0.82269%0.685SS**  trans-75.877.1159-72.6170.6000108.3I56L54-I56 VanDerWaalsContact C-N 3.28Å; L54-I56 PolarHBondContact O-N 3.23Å
55R49.5Very low51.1Low222 Ų222125 Ų12584%0.83867%0.672SS**  trans-65.4103155.5-57.8-174-146.7178.77.1104.5S53 V57S53-R55 PolarHBondContact O-N 3.23Å; R55-V57 PolarHBondContact O-N 3.03Å
56I54.6Low51.2Low158 Ų158125.6 Ų125.681%0.8166%0.664SS**  trans-63.189.3165.1-61167.8000104.3L54 E58L54-I56 VanDerWaalsContact C-N 3.28Å; L54-I56 PolarHBondContact O-N 3.23Å; I56-E58 PolarHBondContact O-N 2.87Å
57V50.3Low51.6Low115 Ų115130.1 Ų130.170%0.69767%0.669SS**  trans-62.9101.8162.6173.10000103.3R55 T59R55-V57 PolarHBondContact O-N 3.03Å; V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 3.23Å
58E51.4Low51.8Low168 Ų168132.4 Ų132.479%0.78567%0.667SS**  trans-53.997.7173.1-173.8176176.300106.9I56 P60I56-E58 PolarHBondContact O-N 2.87Å; E58-P60 WeakPolarHBondContact O-CD 3.13Å
59T58.8Low52.1Low73 Ų73132 Ų13245%0.44866%0.661SS.*  trans-64.4124.1175.844.10000106.3V57V57-T59 VanDerWaalsContact C-N 3.26Å; V57-T59 PolarHBondContact O-N 3.23Å
60P56.9Low52.3Low73 Ų73129 Ų12947%0.47465%0.645SS.*  trans-50.1137.2178.1-26.832.8000109.5E58 E62 I63E58-P60 WeakPolarHBondContact O-CD 3.13Å; P60-E62 PolarHBondContact O-N 2.69Å; P60-I63 PolarHBondContact O-N 2.94Å
61P57.8Low53.1Low99 Ų99128.7 Ų128.764%0.64365%0.646SS**Hα-helixtrans-54.9-18-174.818-30.1000113.6I63 R64P61-I63 PolarHBondContact O-N 2.94Å; P61-R64 PolarHBondContact O-N 2.71Å
62E54Low53.7Low121 Ų121128.8 Ų128.857%0.56564%0.64SS**Hα-helixtrans-62.6-33.8174.9-153177.2163.900114.2P60 R66P60-E62 PolarHBondContact O-N 2.69Å; E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 3.37Å; E62-R66 IonicContact OE1-CZ 3.78Å; E62-R66 IonicContact OE1-NH2 2.71Å; E62-R66 PolarHBondContact OE1-NH2 3.2Å
63I53.2Low54.1Low76 Ų76129 Ų12939%0.3963%0.634SS.*Hα-helixtrans-73.4-34.9179.1-59.5175.9000110.5P60 P61 M65 R66 Y67P60-I63 PolarHBondContact O-N 2.94Å; P61-I63 PolarHBondContact O-N 2.94Å; I63-M65 VanDerWaalsContact C-N 3.28Å; I63-M65 PolarHBondContact O-N 3.21Å; I63-R66 PolarHBondContact O-N 2.83Å; I63-Y67 HydrophobicContact CG2-CD2 3.81Å; I63-Y67 HydrophobicContact CG2-CE2 3.78Å; I63-Y67 WeakPolarHBondContact O-CD2 3.22Å; I63-Y67 PolarHBondContact O-N 3.33Å
64R52.3Low54.9Low181 Ų181130.9 Ų130.968%0.68364%0.636SS**Hα-helixtrans-65.9-30.3179.9-66.3177.965.3-171.40.6112.8P61P61-R64 PolarHBondContact O-N 2.71Å
65M48Very low55.8Low119 Ų119130.8 Ų130.859%0.58664%0.635SS**Hα-helixtrans-76.5-41.8177.1-66.6-61.9-69.500111.4I63 Y67 K68 D69I63-M65 VanDerWaalsContact C-N 3.28Å; I63-M65 PolarHBondContact O-N 3.21Å; M65-Y67 VanDerWaalsContact C-N 3.32Å; M65-Y67 PolarHBondContact O-N 3.47Å; M65-K68 PolarHBondContact O-N 2.95Å; M65-D69 PolarHBondContact O-N 3.44Å; M65-D69 VanDerWaalsContact O-N 3.11Å
66R53.3Low56.6Low160 Ų160128.5 Ų128.560%0.60463%0.627SS**Hα-helixtrans-63.7-34.3178.6-64.4-177-159-157.67.4112.7E62 I63 A70E62-R66 WeakPolarHBondContact O-CG 3.3Å; E62-R66 PolarHBondContact O-N 3.37Å; E62-R66 IonicContact OE1-CZ 3.78Å; E62-R66 IonicContact OE1-NH2 2.71Å; E62-R66 PolarHBondContact OE1-NH2 3.2Å; I63-R66 PolarHBondContact O-N 2.83Å; R66-A70 WeakPolarHBondContact O-CB 3.23Å; R66-A70 PolarHBondContact O-N 3.05Å
67Y52.3Low57Low180 Ų180126.2 Ų126.271%0.70662%0.622SS**Hα-helixtrans-70-34.6176.2-91.5-87.4000113.8I63 M65 A71I63-Y67 HydrophobicContact CG2-CD2 3.81Å; I63-Y67 HydrophobicContact CG2-CE2 3.78Å; I63-Y67 WeakPolarHBondContact O-CD2 3.22Å; I63-Y67 PolarHBondContact O-N 3.33Å; M65-Y67 VanDerWaalsContact C-N 3.32Å; M65-Y67 PolarHBondContact O-N 3.47Å; Y67-A71 WeakPolarHBondContact O-CB 3.34Å; Y67-A71 PolarHBondContact O-N 2.96Å
68K57.6Low57.4Low172 Ų172125.3 Ų125.375%0.74862%0.617SS**Hα-helixtrans-73.2-38.3176.6-80.3-168.7172.2-172.90112.4M65M65-K68 PolarHBondContact O-N 2.95Å
69D55.5Low57.5Low103 Ų103124.3 Ų124.355%0.55161%0.612SS**Hα-helixtrans-80.4-37.4179.9-74.2-24.2000112.6M65 A71 K72 F73M65-D69 PolarHBondContact O-N 3.44Å; M65-D69 VanDerWaalsContact O-N 3.11Å; D69-A71 VanDerWaalsContact C-N 3.29Å; D69-A71 PolarHBondContact O-N 2.89Å; D69-K72 WeakPolarHBondContact O-CB 3.29Å; D69-K72 PolarHBondContact O-N 3.34Å; D69-F73 VanDerWaalsContact O-CD2 3.26Å; D69-F73 WeakPolarHBondContact O-CD2 3.09Å
70A57.4Low57.3Low45 Ų45129 Ų12937%0.37263%0.629SS.*Hα-helixtrans-68.5-27.3177.800000112.8R66 K72 F73 L74R66-A70 WeakPolarHBondContact O-CB 3.23Å; R66-A70 PolarHBondContact O-N 3.05Å; A70-K72 PolarHBondContact O-N 3.1Å; A70-F73 PolarHBondContact O-N 3.38Å; A70-L74 PolarHBondContact O-N 3.07Å
71A61.4Low57.1Low60 Ų60132.3 Ų132.350%0.49664%0.642SS.*THydrogen-bonded Turntrans-62.5-24.2175.200000113Y67 D69 F73Y67-A71 WeakPolarHBondContact O-CB 3.34Å; Y67-A71 PolarHBondContact O-N 2.96Å; D69-A71 VanDerWaalsContact C-N 3.29Å; D69-A71 PolarHBondContact O-N 2.89Å; A71-F73 VanDerWaalsContact C-N 3.33Å
72K63.8Low56.5Low174 Ų174134.5 Ų134.576%0.75765%0.648SS**THydrogen-bonded Turntrans-72.8-26.5173.9-176.5177.2175.6-175.80112.8D69 A70D69-K72 WeakPolarHBondContact O-CB 3.29Å; D69-K72 PolarHBondContact O-N 3.34Å; A70-K72 PolarHBondContact O-N 3.1Å
73F56.1Low56.2Low164 Ų164137.1 Ų137.172%0.71966%0.66SS**THydrogen-bonded Turntrans-95.5-14179.7-59.3-76.3000112.9D69 A70 A71 I75D69-F73 VanDerWaalsContact O-CD2 3.26Å; D69-F73 WeakPolarHBondContact O-CD2 3.09Å; A70-F73 PolarHBondContact O-N 3.38Å; A71-F73 VanDerWaalsContact C-N 3.33Å; F73-I75 VanDerWaalsContact C-N 3.27Å; F73-I75 PolarHBondContact O-N 2.84Å
74L64Low56.1Low128 Ų128139.3 Ų139.367%0.6768%0.677SS**  trans-78.179170.1-74.7163000109.8A70 W76A70-L74 PolarHBondContact O-N 3.07Å; L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 PolarHBondContact O-N 3.38Å
75I63.9Low55.9Low155 Ų155139.3 Ų139.380%0.79569%0.685SS**  trans-72.591.2161.9-55.8173.9000106.1F73F73-I75 VanDerWaalsContact C-N 3.27Å; F73-I75 PolarHBondContact O-N 2.84Å
76W67.3Low55.9Low174 Ų174137.7 Ų137.766%0.65968%0.682SS**  trans-68.7132.8166.775.4-86.3000107.7L74 T78 H79L74-W76 VanDerWaalsContact C-N 3.28Å; L74-W76 PolarHBondContact O-N 3.38Å; W76-T78 VanDerWaalsContact CH2-CA 3.49Å; W76-T78 HydrophobicContact CH2-CG2 3.72Å; W76-T78 HydrophobicContact CZ2-CG2 3.48Å; W76-T78 VanDerWaalsContact CZ2-CG2 3.48Å; W76-T78 HydrophobicContact CZ3-CG2 4.38Å; W76-T78 PolarHBondContact O-N 2.78Å; W76-H79 HydrophobicContact CZ3-CB 4.46Å
77P61.3Low55.3Low111 Ų111134.6 Ų134.672%0.72169%0.685SS**  trans-64.2113.7176.922.2-28.9000108.6H79P77-H79 PolarHBondContact O-N 3.42Å
78T59.4Low55Low96 Ų96131.5 Ų131.559%0.58969%0.689SS**  trans-56.1110.2174.138.40000108.8W76 Q80W76-T78 VanDerWaalsContact CH2-CA 3.49Å; W76-T78 HydrophobicContact CH2-CG2 3.72Å; W76-T78 HydrophobicContact CZ2-CG2 3.48Å; W76-T78 VanDerWaalsContact CZ2-CG2 3.48Å; W76-T78 HydrophobicContact CZ3-CG2 4.38Å; W76-T78 PolarHBondContact O-N 2.78Å; T78-Q80 PolarHBondContact O-N 2.74Å
79H53.3Low54.4Low146 Ų146132.1 Ų132.168%0.67670%0.695SS**  trans-61.2104.9175.5-176.5-89.4000107.2W76 P77 L81W76-H79 HydrophobicContact CZ3-CB 4.46Å; P77-H79 PolarHBondContact O-N 3.42Å; H79-L81 PolarHBondContact O-N 2.94Å
80Q54.4Low53.9Low173 Ų173131.5 Ų131.581%0.80869%0.689SS**  trans-69.189.6174.1-65.8-153.81.600107.5T78 N82T78-Q80 PolarHBondContact O-N 2.74Å; Q80-N82 PolarHBondContact O-N 2.98Å; Q80-N82 VanDerWaalsContact O-N 3.1Å
81L53.7Low53.4Low141 Ų141135.9 Ų135.974%0.73871%0.706SS**  trans-64.5110.8168.8-163.485.7000106.7H79 Q83H79-L81 PolarHBondContact O-N 2.94Å; L81-Q83 PolarHBondContact O-N 2.9Å
82N44Very low53Low146 Ų146138.9 Ų138.978%0.78172%0.723SS**  trans-49.6101.2177.2-98.1-29.4000110.8Q80 V84Q80-N82 PolarHBondContact O-N 2.98Å; Q80-N82 VanDerWaalsContact O-N 3.1Å; N82-V84 PolarHBondContact O-N 2.95Å
83Q48.6Very low52.3Low176 Ų176139.2 Ų139.282%0.82272%0.72SS**THydrogen-bonded Turntrans-79.47.5-178.2-154.1176.14.400112.8L81L81-Q83 PolarHBondContact O-N 2.9Å
84V49.6Very low51.6Low122 Ų122140.4 Ų140.474%0.73972%0.719SS**THydrogen-bonded Turntrans-91.6-2.9-165.1-177.50000113.8N82N82-V84 PolarHBondContact O-N 2.95Å
85Q49.1Very low50.6Low180 Ų180137.8 Ų137.884%0.84172%0.724SS**SBendtrans-134.612.3-177.3-68.2-172.4-3.700116.4
86T47.4Very low49.6Very low85 Ų85140.7 Ų140.752%0.52173%0.726SS.*  trans-109.548.2167.364.10000110.8
87S41.6Very low48.8Very low96 Ų96136.9 Ų136.967%0.67172%0.722SS**  trans-70.9127.3161.453.10000108.8
88S45.9Very low47.9Very low115 Ų115135.9 Ų135.980%0.80473%0.732SS**SBendtrans793.1154.871.70000122.8
89Q45.3Very low47Very low185 Ų185134.1 Ų134.186%0.86473%0.733SS**SBendtrans-144.18.9172.4-84.2-143.4-1.400118.2
90Q45Very low46.8Very low89 Ų89136.7 Ų136.742%0.41674%0.742SS.*  trans-108.45.6-177.1-94.9-1632.700117S92 R93Q90-S92 PolarHBondContact O-N 2.77Å; Q90-R93 HydrophobicContact CG-CB 4.27Å; Q90-R93 PolarHBondContact O-N 2.95Å
91D46.8Very low46.6Very low138 Ų138134.9 Ų134.974%0.73874%0.742SS**THydrogen-bonded Turntrans-61.6-6.5171.6-75.4-33.2000113.7
92S52.1Low46.3Very low122 Ų122136.6 Ų136.685%0.85375%0.747SS**THydrogen-bonded Turntrans-107.52.8178.2-52.40000114.5Q90Q90-S92 PolarHBondContact O-N 2.77Å
93R50.4Low46.3Very low181 Ų181139 Ų13968%0.68375%0.75SS**THydrogen-bonded Turntrans-110.4-23.7-172.9-171169.1-109.9-155.2-3114.9Q90Q90-R93 HydrophobicContact CG-CB 4.27Å; Q90-R93 PolarHBondContact O-N 2.95Å
94W41.4Very low46.3Very low189 Ų189135.6 Ų135.672%0.71675%0.746SS**SBendtrans-139.2109.9169-64.6102.8000106.5Y96W94-Y96 HydrophobicContact CB-CD2 4.06Å; W94-Y96 HydrophobicContact CB-CE2 4.33Å; W94-Y96 PolarHBondContact O-N 3.22Å
95G42Very low45.8Very low74 Ų74134.9 Ų134.976%0.76375%0.747SS**  trans-65.961.6-172.600000114.9T97G95-T97 PolarHBondContact O-N 2.89Å
96Y43.8Very low45.7Very low215 Ų215132.6 Ų132.684%0.84375%0.745SS**  trans-90.450.7163.2-71.3-82000109.6W94W94-Y96 HydrophobicContact CB-CD2 4.06Å; W94-Y96 HydrophobicContact CB-CE2 4.33Å; W94-Y96 PolarHBondContact O-N 3.22Å
97T49Very low45.2Very low95 Ų95137.5 Ų137.558%0.58376%0.76SS**SBendtrans-103.5149.515261.40000105.6G95 G99G95-T97 PolarHBondContact O-N 2.89Å; T97-G99 PolarHBondContact O-N 3.19Å
98G43.3Very low45.2Very low89 Ų89140.9 Ų140.992%0.91877%0.767SS**  trans-62.566.2-179.800000113.1K100G98-K100 PolarHBondContact O-N 3.2Å
99G41.2Very low45Very low59 Ų59139 Ų13961%0.60877%0.765SS**  trans-78.8107.5-171.100000109.4T97 V101T97-G99 PolarHBondContact O-N 3.19Å; G99-V101 PolarHBondContact O-N 2.98Å
100K49.2Very low44.8Very low200 Ų200137 Ų13787%0.8777%0.765SS**  trans-33.3121.5163.7-60.4167.8-176.8174.40109.4G98 Q102G98-K100 PolarHBondContact O-N 3.2Å; K100-Q102 PolarHBondContact O-N 3.04Å
101V49.1Very low44.9Very low135 Ų135137.7 Ų137.782%0.81878%0.778SS**  trans-53.4100.3173175.90000108.2G99 K103G99-V101 PolarHBondContact O-N 2.98Å; V101-K103 PolarHBondContact O-N 3Å; V101-K103 VanDerWaalsContact O-N 3.1Å
102Q47.9Very low44.9Very low177 Ų177138.6 Ų138.683%0.82778%0.783SS**  trans-73101.8175.6-174.1172.9-14.100107K100 S104K100-Q102 PolarHBondContact O-N 3.04Å; Q102-S104 VanDerWaalsContact C-N 3.33Å; Q102-S104 PolarHBondContact O-N 3.34Å
103K43.1Very low44.2Very low196 Ų196138.4 Ų138.485%0.85278%0.781SS**  trans-66.889.3173.1-65177.4171.8-1730108.7V101 S105V101-K103 PolarHBondContact O-N 3Å; V101-K103 VanDerWaalsContact O-N 3.1Å; K103-S105 PolarHBondContact O-N 2.78Å
104S49.8Very low43.9Very low106 Ų106135.4 Ų135.474%0.74178%0.783SS**  trans-77.2103.7166.7390000109.1Q102 T106Q102-S104 VanDerWaalsContact C-N 3.33Å; Q102-S104 PolarHBondContact O-N 3.34Å; S104-T106 PolarHBondContact O-N 3.26Å
105S39.2Very low44.1Very low107 Ų107136.7 Ų136.775%0.74879%0.794SS**  trans-43.3122.6161.7168.80000111.9K103K103-S105 PolarHBondContact O-N 2.78Å
106T46Very low44.2Very low132 Ų132142.9 Ų142.981%0.8180%0.8SS**  trans-140.393.1148.5-56.50000106.9S104 M108S104-T106 PolarHBondContact O-N 3.26Å; T106-M108 PolarHBondContact O-N 2.85Å
107F36.8Very low44.6Very low188 Ų188139.5 Ų139.583%0.82580%0.802SS**  trans-69.1107.5170.1170.5-95.7000108.4
108M42.2Very low44.3Very low167 Ų167140.6 Ų140.682%0.82381%0.813SS**  trans-161.6115.9156.3-77.3-51.5-96.500108.9T106T106-M108 PolarHBondContact O-N 2.85Å
109G41.1Very low44.2Very low74 Ų74140.5 Ų140.576%0.76380%0.804SS**  trans101.196.4160.200000116.1
110T41.5Very low44.1Very low143 Ų143147.4 Ų147.488%0.87782%0.823SS**  trans-54.7141.8159.137.90000110.6
111P46.8Very low43.7Very low104 Ų104141.6 Ų141.668%0.67581%0.812SS**  -147.8139.9101.731-11000115.6
112N47.2Very low43.6Very low157 Ų157140.7 Ų140.784%0.8481%0.807SS**  trans71.695.2141.5-56.8-23.2000120
113S37.3Very low43.3Very low118 Ų118139 Ų13983%0.82580%0.803SS**  trans-65.8111.9163.4149.80000112.6
114V43.4Very low43.5Very low119 Ų119138.3 Ų138.372%0.72181%0.805SS**  trans-152.158.9150.9-166.40000110.3
115F45.7Very low43.4Very low216 Ų216138.5 Ų138.595%0.94780%0.804SS**  trans-157.696.4154.5-81.6-62.4000109.3T117F115-T117 PolarHBondContact O-N 3.2Å
116K44.3Very low43.6Very low203 Ų203145.6 Ų145.688%0.88382%0.815SS**  trans-69.5119.4167.4-69.3174.1173.6178.60108.4
117T52.1Low44Very low145 Ų145143.2 Ų143.289%0.8980%0.804SS**  trans-151.3112.2137.645.30000111.4F115F115-T117 PolarHBondContact O-N 3.2Å
118S44Very low44.6Very low117 Ų117139.6 Ų139.682%0.81880%0.802SS**  trans-28.2129.3169.6-153.90000118.8
119A41Very low45.3Very low87 Ų87140 Ų14072%0.71980%0.799SS**  trans26.1104137.200000119.3A121A119-A121 PolarHBondContact O-N 3.23Å
120M39.3Very low46Very low205 Ų205148.1 Ų148.1100%1.0181%0.807SS**  trans-82.891.7149.2-84-162.9-156.500109.1
121A40Very low46.8Very low77 Ų77149.2 Ų149.264%0.63681%0.806SS**  trans-85.8118160.100000109A119A119-A121 PolarHBondContact O-N 3.23Å
122T46.3Very low46.9Very low117 Ų117146.6 Ų146.672%0.71880%0.799SS**SBendtrans45.2119.2138.561.90000120.1
123N42.1Very low47.3Very low140 Ų140144.4 Ų144.475%0.74980%0.795SS**  trans54.999.3142.7-64.1-41.2000117.7
124M48Very low48.4Very low182 Ų182147.8 Ų147.890%0.89780%0.795SS**  trans-148.8144.4146.2-88.7-59113.900111.2
125P46.2Very low48.9Very low111 Ų111153.1 Ų153.172%0.72180%0.803SS**  trans-82.3150.6-168.233.7-33.4000113S127P125-S127 PolarHBondContact O-N 2.89Å
126R44.2Very low49.4Very low255 Ų255149 Ų14996%0.96280%0.795SS**  trans-0.497160.9-82.2173.3154.8-179.2-6.4116.1
127S55.2Low50Low83 Ų83145.3 Ų145.358%0.5879%0.789SS**  trans-94.1125.4155.5172.80000109.2P125 F129P125-S127 PolarHBondContact O-N 2.89Å; S127-F129 WeakPolarHBondContact OG-CZ 3.49Å
128S48.2Very low50.6Low112 Ų112144 Ų14478%0.78378%0.783SS**  trans-86.6112177.635.40000109.4
129F58.2Low51.2Low175 Ų175150 Ų15077%0.76879%0.788SS**  trans-95.5109.3170.9-56.6-78.5000108.5S127 L131S127-F129 WeakPolarHBondContact OG-CZ 3.49Å; F129-L131 PolarHBondContact O-N 3.09Å
130R55.3Low52Low244 Ų244157 Ų15792%0.92180%0.796SS**  trans-73.3112.2165.9-66.8-169.5-177.8-1363.1107.4G132R130-G132 PolarHBondContact O-N 3.47Å
131L57.5Low53Low166 Ų166152.9 Ų152.987%0.86979%0.785SS**  trans-64.8107.3166.6-102.688.5000108.2F129F129-L131 PolarHBondContact O-N 3.09Å
132G49.6Very low53.6Low50 Ų50157.3 Ų157.352%0.51580%0.797SS.*  trans-61.9132.2168.300000110.2R130 F134R130-G132 PolarHBondContact O-N 3.47Å; G132-F134 PolarHBondContact O-N 2.87Å
133S56.1Low53.7Low110 Ų110159.5 Ų159.577%0.76980%0.803SS**  trans-61118.3176-177.60000110.7
134F60.3Low54.1Low189 Ų189157.5 Ų157.583%0.82981%0.806SS**  trans-92.7110.2162.2-56.4-77.5000107.9G132 V136G132-F134 PolarHBondContact O-N 2.87Å; F134-V136 PolarHBondContact O-N 3.1Å
135R54.2Low54.5Low232 Ų232155.4 Ų155.488%0.87580%0.797SS**  trans-77.8104.7165.2-76.6-174.6175.2-154.3-0.6108.1T137R135-T137 PolarHBondContact O-N 3.01Å
136V54.6Low54.7Low130 Ų130156.3 Ų156.379%0.78880%0.803SS**  trans-83.9107.4165.6-178.70000107.3F134F134-V136 PolarHBondContact O-N 3.1Å
137T56.6Low54.8Low124 Ų124149.1 Ų149.176%0.76179%0.792SS**PPolyproline II helixtrans-81.5121.8170.1-1.20000108.2R135 R139R135-T137 PolarHBondContact O-N 3.01Å; T137-R139 PolarHBondContact O-N 3.28Å
138P65.6Low54.6Low117 Ų117150.7 Ų150.776%0.7680%0.802SS**PPolyproline II helixtrans-69.5121.1172.626.7-30000108.8R140P138-R140 PolarHBondContact O-N 2.98Å
139R55.7Low54.5Low245 Ų245150.1 Ų150.193%0.92580%0.804SS**PPolyproline II helixtrans-68.3125166.8-75.7-160.5171.2140.5-0.3108.7T137T137-R139 PolarHBondContact O-N 3.28Å
140R58.5Low54.3Low234 Ų234147.9 Ų147.988%0.88381%0.807SS**PPolyproline II helixtrans-56.6132.1175.9-151.2176.4-165.4165.72.2109.7P138 L142P138-R140 PolarHBondContact O-N 2.98Å; R140-L142 PolarHBondContact O-N 3.09Å
141P59.6Low53.9Low118 Ų118140.9 Ų140.977%0.76680%0.802SS**PPolyproline II helixtrans-67131171.425.5-29.8000109.6
142L53.7Low53.3Low170 Ų170142.1 Ų142.189%0.8980%0.8SS**PPolyproline II helixtrans-68.8134.2168.1-79.3162.4000108.8R140 A144R140-L142 PolarHBondContact O-N 3.09Å; L142-A144 PolarHBondContact O-N 3.32Å
143L48.7Very low53.4Low163 Ų163146.3 Ų146.385%0.85382%0.816SS**  trans-61.9112.2169-115.990.6000108.6
144A50.6Low52.9Low97 Ų97146.6 Ų146.680%0.80281%0.813SS**  trans-87.6109.216300000107.9L142L142-A144 PolarHBondContact O-N 3.32Å
145I56.3Low52.6Low139 Ų139145.8 Ų145.871%0.71382%0.817SS**  trans-67.6129.3172.8-62.4158.7000108S147I145-S147 PolarHBondContact O-N 3.3Å
146P50.9Low52.2Low130 Ų130141.4 Ų141.484%0.84481%0.806SS**  trans-77.5115.5167.930-27.9000108.2
147S46.2Very low52Low104 Ų104140.7 Ų140.773%0.72781%0.807SS**  trans-115.5134178.4-173.40000110.5I145I145-S147 PolarHBondContact O-N 3.3Å
148S49.7Very low51.6Low115 Ų115142.8 Ų142.880%0.80481%0.805SS**  trans84.5103.2167.878.40000118.3
149A46.1Very low51.1Low100 Ų100143.8 Ų143.883%0.82681%0.809SS**  trans-103140.9144.700000107.7
150P53.9Low50.5Low128 Ų128137.2 Ų137.283%0.83180%0.8SS**  trans-108.8149.9158.931.3-19.7000111.8
151A48Very low50.3Low97 Ų97132.4 Ų132.480%0.80280%0.796SS**  trans-87.9146.4-166.100000114.4
152K44.9Very low49.8Very low192 Ų192131.7 Ų131.784%0.83580%0.8SS**  trans46.4122131.9-120.8175.3-174.3178.80121.1
153T51.8Low49.9Very low138 Ų138134.6 Ų134.685%0.84781%0.814SS**  trans-150.997.5141.449.10000108.1
154T45.8Very low49.9Very low116 Ų116133.2 Ų133.271%0.71281%0.812SS**  40.7106.2102.4-48.10000115
155L53.3Low49.9Very low173 Ų173135.1 Ų135.191%0.90681%0.813SS**  trans-149.7119.3144.8-133.6149.1000109.8
156E44.8Very low49.5Very low139 Ų139134.9 Ų134.965%0.6582%0.819SS**  trans-68.7145.5-179.4-62.8-111.8132.100111.7
157S50.5Low49.5Very low115 Ų115135.2 Ų135.280%0.80482%0.817SS**  trans-152.297.4152.41700000108.9
158K49Very low49.7Very low168 Ų168137.1 Ų137.173%0.7382%0.823SS**  trans-70.3124.1169.1-69.8169179.2173.40109.5
159V56Low49.7Very low138 Ų138138.6 Ų138.684%0.83682%0.824SS**  trans-137.3100.7144.1-177.20000107.4
160C43.1Very low49.9Very low108 Ų108141.4 Ų141.473%0.7382%0.824SS**  trans-74.2140.4160.8-62.50000108.2
161T53.2Low49.6Very low132 Ų132142.4 Ų142.481%0.8182%0.823SS**  -175.6109.5122-68.80000106.9
162A48.3Very low49.7Very low103 Ų103146.2 Ų146.285%0.85183%0.825SS**  trans-103.4122.7157.500000106.4
163I56.2Low50.2Low232 Ų232142 Ų142100%1.1982%0.824SS**  trans-138.40146.5-54.9-179.2000105

Retrieved 163 of 163 residues in 43.9 ms (Link to these results)