A0A077ZQR2_TRITR Loading...

Tyrosine protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZQR2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 184 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M25.4Very low27.7Very low230 Ų230128.6 Ų128.6100%1.13373%0.729SS**  0124.20-44.2-164.4-85.600106.9
2P28.6Very low28.1Very low122 Ų122126.3 Ų126.379%0.79272%0.719SS**  trans-68.5132174.828-30.9000109.6E4P2-E4 PolarHBondContact O-N 3.45Å
3V24.8Very low28Very low122 Ų122126.6 Ų126.674%0.73973%0.726SS**  trans-81.6113.9173.4179.60000107.4
4E25.7Very low28.1Very low133 Ų133125.9 Ų125.962%0.62173%0.725SS**  trans-84.6116167.1-68.7-169.9136.700108.1P2 R160P2-E4 PolarHBondContact O-N 3.45Å; E4-R160 IonicContact OE1-CZ 2.79Å; E4-R160 IonicContact OE1-NH1 3.53Å; E4-R160 IonicContact OE1-NH2 3.86Å; E4-R160 PolarHBondContact OE1-NH2 2.94Å
5T29.4Very low28Very low73 Ų73125.9 Ų125.945%0.44872%0.721SS.*  trans-105103.2171.9-53.30000108.2F7 P27T5-F7 HydrophobicContact CG2-CE1 4.39Å; T5-F7 HydrophobicContact CG2-CE2 4.28Å; T5-F7 HydrophobicContact CG2-CZ 4.05Å; T5-P27 HydrophobicContact CG2-CG 4.27Å
6T29.4Very low28.1Very low127 Ų127127.3 Ų127.378%0.77973%0.725SS**  trans-90.3121.5173.8-58.50000108.6
7F29.2Very low28Very low153 Ų153128.4 Ų128.467%0.67173%0.729SS**  trans-85.5110.1170.2-60-85.7000107.9T5 L26T5-F7 HydrophobicContact CG2-CE1 4.39Å; T5-F7 HydrophobicContact CG2-CE2 4.28Å; T5-F7 HydrophobicContact CG2-CZ 4.05Å; F7-L26 HydrophobicContact CE1-CD2 4.26Å
8G25.5Very low27.8Very low65 Ų65124.3 Ų124.367%0.6771%0.714SS**  trans-95.5132.2174.300000110.8
9L28.6Very low27.7Very low121 Ų121122.5 Ų122.563%0.63470%0.704SS**  trans-84.5110.2166-70166.9000107.6
10T29.7Very low27.7Very low115 Ų115121.2 Ų121.271%0.70669%0.693SS**  trans-86.5122.617341.50000110.5
11D28Very low27.7Very low154 Ų154121.5 Ų121.582%0.82469%0.689SS**  trans29.293.4165.6-70.8-34000118T13D11-T13 PolarHBondContact O-N 3.02Å
12T32.6Very low27.8Very low100 Ų100113.5 Ų113.561%0.61365%0.648SS**  trans-74.999.316035.20000110.4V14 M20T12-V14 PolarHBondContact O-N 3.02Å; T12-M20 HydrophobicContact CG2-CE 3.58Å
13T27.3Very low27.9Very low131 Ų131111.8 Ų111.880%0.80464%0.636SS**  trans-74.3109.4161.849.60000109D11 D15D11-T13 PolarHBondContact O-N 3.02Å; T13-D15 PolarHBondContact O-N 2.86Å; T13-D15 VanDerWaalsContact O-N 3.16Å
14V29.3Very low28.1Very low117 Ų117110.8 Ų110.871%0.70962%0.619SS**  trans-82.388.2178.1-171.90000108.4T12T12-V14 PolarHBondContact O-N 3.02Å
15D25.8Very low28.1Very low125 Ų125112.8 Ų112.867%0.66863%0.629SS**  trans-83.1121.5167.5-130.8-60.2000108.8T13 D17 A18T13-D15 PolarHBondContact O-N 2.86Å; T13-D15 VanDerWaalsContact O-N 3.16Å; D15-D17 PolarHBondContact O-N 3.3Å; D15-A18 HydrophobicContact CB-CB 4.06Å; D15-A18 PolarHBondContact O-N 2.91Å
16N29.6Very low28.1Very low148 Ų148114.6 Ų114.679%0.79164%0.635SS**THydrogen-bonded Turntrans-651.5-160.9-85.4-64.2000115.7
17D27.9Very low28Very low147 Ų147112.9 Ų112.979%0.78663%0.626SS**THydrogen-bonded Turntrans-128.5-2.7175.2-105.4-51.8000114.9D15 K59D15-D17 PolarHBondContact O-N 3.3Å; D17-K59 VanDerWaalsContact C-NZ 3.33Å; D17-K59 PolarHBondContact O-NZ 3.36Å
18A24.4Very low27.8Very low55 Ų55111 Ų11146%0.45563%0.632SS.*  trans-96.6151.2-160.500000114.7D15 M20D15-A18 HydrophobicContact CB-CB 4.06Å; D15-A18 PolarHBondContact O-N 2.91Å; A18-M20 PolarHBondContact O-N 2.87Å
19V25.9Very low27.9Very low89 Ų89114 Ų11454%0.53964%0.637SS.*  trans-54.4127.1166.2173.10000108.6E21 K56V19-E21 HydrophobicContact CG1-CG 4.4Å; V19-E21 PolarHBondContact O-N 3.25Å; V19-E21 VanDerWaalsContact O-N 3.12Å; V19-K56 HydrophobicContact CG1-CG 4.12Å
20M26.5Very low27.8Very low96 Ų96114.6 Ų114.647%0.47365%0.645SS.*  trans-78.198176.7-162.6179-171.800108.5T12 A18T12-M20 HydrophobicContact CG2-CE 3.58Å; A18-M20 PolarHBondContact O-N 2.87Å
21E27.7Very low27.8Very low129 Ų129116.3 Ų116.360%0.60365%0.645SS**  trans-82.9116.7166.9-68.9-162.2134.600108.6V19V19-E21 HydrophobicContact CG1-CG 4.4Å; V19-E21 PolarHBondContact O-N 3.25Å; V19-E21 VanDerWaalsContact O-N 3.12Å
22Q28.8Very low27.6Very low61 Ų61112.6 Ų112.629%0.28564%0.643SS.*  trans-97.8111.7169.6-84.4-176.7-31.500108.3Y24Q22-Y24 HydrophobicContact CB-CE2 3.99Å; Q22-Y24 PolarHBondContact OE1-OH 2.89Å
23T29.5Very low27.4Very low87 Ų87112.8 Ų112.853%0.53465%0.649SS.*  trans-94.4129.2174.4-560000109.2V52T23-V52 HydrophobicContact CG2-CG1 4.46Å
24Y28.8Very low27.3Very low100 Ų100114.4 Ų114.439%0.39265%0.652SS.*  trans-106.9112.8174.6-60.2-93.9000108.2Q22Q22-Y24 HydrophobicContact CB-CE2 3.99Å; Q22-Y24 PolarHBondContact OE1-OH 2.89Å
25E26.6Very low27.3Very low175 Ų175112.4 Ų112.482%0.81866%0.656SS**PPolyproline II helixtrans-87.6121165.3-77.3-162.5135.500109.5
26L29Very low27.3Very low112 Ų112111.9 Ų111.959%0.58666%0.662SS**PPolyproline II helixtrans-88.1141169.4-74.7153.3000108.5F7 S28F7-L26 HydrophobicContact CE1-CD2 4.26Å; L26-S28 PolarHBondContact O-N 2.8Å; L26-S28 VanDerWaalsContact O-N 3.1Å
27P27Very low27.4Very low90 Ų90111.3 Ų111.358%0.58466%0.664SS**PPolyproline II helixtrans-58.4119.9179.821.5-30.9000110.4T5 V29T5-P27 HydrophobicContact CG2-CG 4.27Å; P27-V29 PolarHBondContact O-N 3.22Å
28S25.3Very low27.4Very low113 Ų113110 Ų11079%0.7967%0.666SS**PPolyproline II helixtrans-57118.1172.3-62.90000109.9L26 V30L26-S28 PolarHBondContact O-N 2.8Å; L26-S28 VanDerWaalsContact O-N 3.1Å; S28-V30 PolarHBondContact O-N 3.47Å
29V28.4Very low27.4Very low130 Ų130110.7 Ų110.779%0.78868%0.679SS**  trans-74.4109.1168.4179.60000107.3P27 H31P27-V29 PolarHBondContact O-N 3.22Å; V29-H31 PolarHBondContact O-N 3.22Å
30V26.6Very low27.4Very low132 Ų132115.7 Ų115.780%0.870%0.697SS**  trans-66.3112.7171.8-1780000107.8S28 G32S28-V30 PolarHBondContact O-N 3.47Å; V30-G32 PolarHBondContact O-N 2.79Å
31H28.3Very low27.3Very low151 Ų151116.5 Ų116.570%0.69971%0.711SS**PPolyproline II helixtrans-64.7120.6170.8-83.1153.7000109.3V29 S33V29-H31 PolarHBondContact O-N 3.22Å; H31-S33 PolarHBondContact O-N 3.24Å
32G25.4Very low27.1Very low77 Ų77115.2 Ų115.279%0.79472%0.717SS**PPolyproline II helixtrans-70.9119.3162.100000109V30V30-G32 PolarHBondContact O-N 2.79Å
33S27.8Very low26.8Very low104 Ų104123.9 Ų123.973%0.72775%0.747SS**PPolyproline II helixtrans-67140.3-179.4-46.70000112.9H31H31-S33 PolarHBondContact O-N 3.24Å
34D25.9Very low26.5Very low164 Ų164124.5 Ų124.588%0.87776%0.761SS**  trans53.4102.5145.3-53-29.7000119.9
35G27.9Very low26.3Very low76 Ų76126 Ų12678%0.78478%0.78SS**  trans-152.788.6164.500000111.1
36S26.7Very low26.1Very low114 Ų114122.8 Ų122.880%0.79777%0.774SS**  trans-35.7130.3172.9-175.70000114.7
37T31.7Very low25.9Very low135 Ų135123.3 Ų123.383%0.82878%0.778SS**  -174.2128.4123.324.60000111.9
38S27.2Very low25.6Very low119 Ų119124 Ų12483%0.83279%0.785SS**  trans-39.4137.1170.6500000116.1
39G25.6Very low25.5Very low71 Ų71125.9 Ų125.973%0.73279%0.785SS**  trans158.593.3158.100000115.8
40Q25.7Very low25.2Very low194 Ų194125.4 Ų125.491%0.90779%0.785SS**  trans68.1103.8147-64.7179.3-7.500119.6
41S23.4Very low25.2Very low112 Ų112121.2 Ų121.278%0.78376%0.759SS**  79.4100125.8-130.10000121
42S24.4Very low25.1Very low103 Ų103118.3 Ų118.372%0.7275%0.752SS**  79.471.5122.3-51.60000120.4
43R22.6Very low25.1Very low243 Ų243117.3 Ų117.392%0.91773%0.725SS**  170.398.6110-102.6180170.1168.3-2.5108.5V45R43-V45 PolarHBondContact O-N 3.26Å
44A22.3Very low25Very low99 Ų99114.1 Ų114.182%0.81870%0.702SS**  trans-61.7116.2166.800000109P46A44-P46 WeakPolarHBondContact O-CD 3.43Å
45V24.2Very low25.1Very low133 Ų133110.4 Ų110.481%0.80668%0.681SS**  trans-84.6112.4159179.10000105.2R43 N47R43-V45 PolarHBondContact O-N 3.26Å; V45-N47 PolarHBondContact O-N 3.43Å
46P23.9Very low25Very low106 Ų106112.8 Ų112.869%0.68867%0.67SS**  trans-67122.2-176.9-2.915.9000109.7A44A44-P46 WeakPolarHBondContact O-CD 3.43Å
47N23.3Very low25.2Very low124 Ų124110.9 Ų110.966%0.66365%0.649SS**  35117.2118.9-72-16.6000117.8V45V45-N47 PolarHBondContact O-N 3.43Å
48S22.2Very low24.8Very low105 Ų105112.2 Ų112.273%0.73465%0.646SS**  57.4101.2128.666.90000118.5
49L21.6Very low24.8Very low152 Ų152112.6 Ų112.680%0.79663%0.632SS**  trans-145.5136.1140.3-73.1179.1000108.9V51L49-V51 PolarHBondContact O-N 3.22Å
50P22.8Very low24.9Very low119 Ų119116.9 Ų116.977%0.77364%0.638SS**  trans-63.6120171.626.2-31.2000108.8V52P50-V52 PolarHBondContact O-N 3.1Å
51V26.3Very low25Very low44 Ų44111.5 Ų111.527%0.26762%0.615SS.*  trans-91.697.7177.1-174.80000108.7L49 Y53 V175L49-V51 PolarHBondContact O-N 3.22Å; V51-Y53 HydrophobicContact CB-CE2 4.01Å; V51-Y53 HydrophobicContact CG1-CD2 3.79Å; V51-Y53 HydrophobicContact CG1-CE1 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.28Å; V51-Y53 HydrophobicContact CG1-CG 4.41Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.48Å; V51-V175 HydrophobicContact CG1-CB 4.2Å; V51-V175 HydrophobicContact CG1-CG1 3.49Å; V51-V175 VanDerWaalsContact CG1-CG1 3.49Å; V51-V175 HydrophobicContact CG1-CG2 3.98Å; V51-V175 HydrophobicContact CG2-CG1 4.21Å; V51-V175 HydrophobicContact CG2-CG2 3.88Å
52V26.1Very low25.2Very low90 Ų90115 Ų11555%0.54561%0.611SS.*  trans-81.2120170-178.10000108.4T23 P50T23-V52 HydrophobicContact CG2-CG1 4.46Å; P50-V52 PolarHBondContact O-N 3.1Å
53Y26.3Very low25.3Very low56 Ų56114.6 Ų114.622%0.2261%0.609CS.*  trans-103.7116.4175.1-70.8-89.5000110.3V51 K174 V175V51-Y53 HydrophobicContact CB-CE2 4.01Å; V51-Y53 HydrophobicContact CG1-CD2 3.79Å; V51-Y53 HydrophobicContact CG1-CE1 4.15Å; V51-Y53 HydrophobicContact CG1-CE2 3.28Å; V51-Y53 HydrophobicContact CG1-CG 4.41Å; V51-Y53 VanDerWaalsContact CG1-CZ 3.48Å; Y53-K174 WeakPolarHBondContact CE1-O 3.22Å; Y53-K174 PolarHBondContact OH-O 2.92Å; Y53-V175 VanDerWaalsContact OH-CA 3.28Å; Y53-V175 WeakPolarHBondContact OH-CA 3.28Å; Y53-V175 PolarHBondContact OH-N 2.77Å
54S25.5Very low25.5Very low37 Ų37106.2 Ų106.226%0.25959%0.588SS.*  trans-104.7117.2172.9-171.10000110.4
55I27.8Very low25.6Very low86 Ų86104 Ų10444%0.44156%0.562SS.*  trans-92.7101.6174.8-58174.6000108.3E57I55-E57 HydrophobicContact CG2-CG 4.12Å; I55-E57 PolarHBondContact O-N 3.24Å
56K25.6Very low25.9Very low126 Ų126104 Ų10455%0.54855%0.547SS..  trans-74.690167.2-88.4-178.1174.4176.80110V19 Q58V19-K56 HydrophobicContact CG1-CG 4.12Å; K56-Q58 PolarHBondContact O-N 2.88Å
57E30.4Very low26Very low75 Ų75105.1 Ų105.135%0.3554%0.543SS..  trans-71.8112.9163.5-78.4-165.3149.200109.3I55 K59 R66I55-E57 HydrophobicContact CG2-CG 4.12Å; I55-E57 PolarHBondContact O-N 3.24Å; E57-K59 PolarHBondContact O-N 3.4Å; E57-R66 IonicContact OE2-NH2 3.97Å
58Q24.1Very low26.3Very low162 Ų162101.1 Ų101.176%0.75752%0.523SS*.  trans-64.4121.8166.1-82.7-173.9-17.900109.1K56 N60 L61K56-Q58 PolarHBondContact O-N 2.88Å; Q58-N60 PolarHBondContact O-N 3.29Å; Q58-L61 PolarHBondContact O-N 3.24Å
59K27.5Very low26.5Very low127 Ų12799 Ų9955%0.55251%0.508SS*.THydrogen-bonded Turntrans-55.82.9-171.8-77.8179.3174.5177.40116.8D17 E57D17-K59 VanDerWaalsContact C-NZ 3.33Å; D17-K59 PolarHBondContact O-NZ 3.36Å; E57-K59 PolarHBondContact O-N 3.4Å
60N27.9Very low26.9Very low161 Ų16196.5 Ų96.586%0.86149%0.492SS*.THydrogen-bonded Turntrans-108.66.1-178.5-108.6-41.5000115.7Q58Q58-N60 PolarHBondContact O-N 3.29Å
61L27.6Very low27.3Very low81 Ų8195 Ų9542%0.42448%0.475SS..  trans-127.527.1-179-73.2158.5000113.6Q58 S63 S64 L65Q58-L61 PolarHBondContact O-N 3.24Å; L61-S63 PolarHBondContact O-N 3.29Å; L61-S64 PolarHBondContact O-N 3.29Å; L61-S64 VanDerWaalsContact O-N 3.16Å; L61-L65 HydrophobicContact CB-CB 4.26Å; L61-L65 HydrophobicContact CB-CD1 3.64Å; L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-L65 VanDerWaalsContact O-N 3.1Å
62R26.6Very low27.4Very low185 Ų18598.4 Ų98.470%0.69848%0.482SS*.THydrogen-bonded Turntrans-57.2-15.5-167-74.6179.796.9166.34116.6
63S26.6Very low27.7Very low96 Ų9698.4 Ų98.467%0.67148%0.482SS*.THydrogen-bonded Turntrans-110.5-31.6174.761.20000114L61 H67L61-S63 PolarHBondContact O-N 3.29Å; S63-H67 PolarHBondContact O-CD2 3.46Å
64S26.4Very low27.9Very low67 Ų6798.8 Ų98.847%0.46949%0.494SS..Hα-helixtrans-86.2-31.3-172.7-168.30000112.7L61 T68L61-S64 PolarHBondContact O-N 3.29Å; L61-S64 VanDerWaalsContact O-N 3.16Å; S64-T68 PolarHBondContact O-N 2.98Å; S64-T68 PolarHBondContact O-OG1 2.79Å
65L26Very low28Very low52 Ų5298.9 Ų98.927%0.27250%0.496SS..Hα-helixtrans-74.2-31.9-178.7-123.490.4000113.3L61 H67 T68 C69L61-L65 HydrophobicContact CB-CB 4.26Å; L61-L65 HydrophobicContact CB-CD1 3.64Å; L61-L65 HydrophobicContact CD1-CD1 3.55Å; L61-L65 HydrophobicContact CD2-CD1 4.48Å; L61-L65 HydrophobicContact CG-CD1 4.07Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-L65 VanDerWaalsContact O-N 3.1Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; L65-T68 VanDerWaalsContact CA-OG1 3.28Å; L65-T68 WeakPolarHBondContact CA-OG1 3.5Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 PolarHBondContact O-OG1 2.77Å; L65-C69 WeakPolarHBondContact O-CB 3.49Å; L65-C69 PolarHBondContact O-N 3.38Å
66R28.5Very low28.2Very low133 Ų13397.1 Ų97.150%0.50249%0.488SS..Hα-helixtrans-65.4-36.4177.7-69.1-174.5176.6-149.1-2.5112.2E57 H70E57-R66 IonicContact OE2-NH2 3.97Å; R66-H70 PolarHBondContact O-N 3.39Å
67H27.4Very low28.5Very low129 Ų12995.8 Ų95.860%0.59749%0.486SS*.Hα-helixtrans-75.2-35.6174.6-76.8-62.4000113.1S63 L65 Q71S63-H67 PolarHBondContact O-CD2 3.46Å; L65-H67 VanDerWaalsContact C-N 3.33Å; L65-H67 PolarHBondContact O-N 3.26Å; H67-Q71 WeakPolarHBondContact O-CG 3.46Å; H67-Q71 PolarHBondContact O-N 3.31Å
68T28.3Very low28.6Very low40 Ų4097 Ų9725%0.24549%0.494CS..Hα-helixtrans-77.1-36.4178.433.10000112.7S64 L65 Q71 R72S64-T68 PolarHBondContact O-N 2.98Å; S64-T68 PolarHBondContact O-OG1 2.79Å; L65-T68 VanDerWaalsContact CA-OG1 3.28Å; L65-T68 WeakPolarHBondContact CA-OG1 3.5Å; L65-T68 PolarHBondContact O-N 3.2Å; L65-T68 PolarHBondContact O-OG1 2.77Å; T68-Q71 PolarHBondContact O-N 3.4Å; T68-R72 WeakPolarHBondContact O-CB 3.14Å; T68-R72 WeakPolarHBondContact O-CD 3.45Å; T68-R72 WeakPolarHBondContact O-CG 3.28Å; T68-R72 PolarHBondContact O-N 3.04Å
69C27.8Very low28.9Very low61 Ų6191.2 Ų91.241%0.41247%0.467SS..Hα-helixtrans-66.3-41.1174.8-102.80000112.7L65 Q71 R72 V73L65-C69 WeakPolarHBondContact O-CB 3.49Å; L65-C69 PolarHBondContact O-N 3.38Å; C69-Q71 PolarHBondContact O-N 3.2Å; C69-R72 PolarHBondContact O-N 3.24Å; C69-V73 WeakPolarHBondContact O-CG2 3.5Å; C69-V73 PolarHBondContact O-N 3.23Å; C69-V73 VanDerWaalsContact O-N 3.1Å
70H30.3Very low29.1Very low99 Ų9987.1 Ų87.146%0.45845%0.45SS..Hα-helixtrans-64.2-38.4176.8-109-81.6000113.1R66 S74R66-H70 PolarHBondContact O-N 3.39Å; H70-S74 WeakPolarHBondContact O-CB 3.34Å; H70-S74 PolarHBondContact O-N 3.37Å; H70-S74 PolarHBondContact O-OG 3.02Å
71Q29.3Very low29.4Very low89 Ų8989.6 Ų89.642%0.41645%0.447SS..Hα-helixtrans-69.7-36.6174.8-75.4-179.8-13.700111.8H67 T68 C69 S74 A75H67-Q71 WeakPolarHBondContact O-CG 3.46Å; H67-Q71 PolarHBondContact O-N 3.31Å; T68-Q71 PolarHBondContact O-N 3.4Å; C69-Q71 PolarHBondContact O-N 3.2Å; Q71-S74 PolarHBondContact O-N 3.02Å; Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.76Å
72R30.5Very low29.8Very low114 Ų11491.3 Ų91.343%0.4345%0.453SS..Hα-helixtrans-66.1-41-179.8-75.5165-174.4-174.21.1112.9T68 C69 L76T68-R72 WeakPolarHBondContact O-CB 3.14Å; T68-R72 WeakPolarHBondContact O-CD 3.45Å; T68-R72 WeakPolarHBondContact O-CG 3.28Å; T68-R72 PolarHBondContact O-N 3.04Å; C69-R72 PolarHBondContact O-N 3.24Å; R72-L76 WeakPolarHBondContact O-CD1 3.49Å; R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.36Å
73V31.4Very low30.1Very low90 Ų9088.3 Ų88.355%0.54545%0.447SS..Hα-helixtrans-70.8-37.5177.41780000111.7C69 L76 L77C69-V73 WeakPolarHBondContact O-CG2 3.5Å; C69-V73 PolarHBondContact O-N 3.23Å; C69-V73 VanDerWaalsContact O-N 3.1Å; V73-L76 PolarHBondContact O-N 3.37Å; V73-L77 HydrophobicContact CG1-CD1 4.18Å; V73-L77 PolarHBondContact O-N 2.73Å
74S29.8Very low30.1Very low65 Ų6585.8 Ų85.846%0.45544%0.436SS..Hα-helixtrans-67.4-37.9177.9-54.10000112.3H70 Q71 L78H70-S74 WeakPolarHBondContact O-CB 3.34Å; H70-S74 PolarHBondContact O-N 3.37Å; H70-S74 PolarHBondContact O-OG 3.02Å; Q71-S74 PolarHBondContact O-N 3.02Å; S74-L78 PolarHBondContact O-N 3.04Å
75A29.3Very low30.4Very low38 Ų3887.4 Ų87.431%0.31445%0.454SS..Hα-helixtrans-68-36.7175.800000112.5Q71 L78 H79Q71-A75 WeakPolarHBondContact O-CB 3.48Å; Q71-A75 PolarHBondContact O-N 2.76Å; A75-L78 PolarHBondContact O-N 2.71Å; A75-H79 WeakPolarHBondContact O-CB 3.22Å; A75-H79 PolarHBondContact O-N 3.31Å
76L30.6Very low30.6Very low50 Ų5088 Ų8826%0.26247%0.473SS..Hα-helixtrans-65.3-37.7177.3-85.2155.8000112.7R72 V73 Q80R72-L76 WeakPolarHBondContact O-CD1 3.49Å; R72-L76 WeakPolarHBondContact O-CG 3.5Å; R72-L76 PolarHBondContact O-N 3.36Å; V73-L76 PolarHBondContact O-N 3.37Å; L76-Q80 PolarHBondContact O-N 3.38Å
77L32.2Very low30.5Very low97 Ų9791 Ų9151%0.50848%0.484SS..Hα-helixtrans-71.8-34.4176.3-80.1152.6000112.8V73V73-L77 HydrophobicContact CG1-CD1 4.18Å; V73-L77 PolarHBondContact O-N 2.73Å
78L31.9Very low30.8Very low102 Ų10290.9 Ų90.953%0.53449%0.494SS..Hα-helixtrans-71.5-42.3175-110.699000112.5S74 A75 Q80 R81S74-L78 PolarHBondContact O-N 3.04Å; A75-L78 PolarHBondContact O-N 2.71Å; L78-Q80 VanDerWaalsContact C-N 3.29Å; L78-Q80 PolarHBondContact O-N 3.24Å; L78-R81 PolarHBondContact O-N 3.25Å
79H31.3Very low31Very low40 Ų4090.3 Ų90.319%0.18549%0.491CS..Hα-helixtrans-64.5-34.6179.9-109.169.8000112.5A75 R81 Q82A75-H79 WeakPolarHBondContact O-CB 3.22Å; A75-H79 PolarHBondContact O-N 3.31Å; H79-R81 PolarHBondContact O-N 3.18Å; H79-Q82 PolarHBondContact O-N 3.2Å
80Q31.3Very low31.1Very low41 Ų4192.2 Ų92.219%0.19250%0.497CS..Hα-helixtrans-67.4-23.2179.3-139.9-169.5-1.200113.4L76 L78 N172L76-Q80 PolarHBondContact O-N 3.38Å; L78-Q80 VanDerWaalsContact C-N 3.29Å; L78-Q80 PolarHBondContact O-N 3.24Å; Q80-N172 VanDerWaalsContact NE2-CB 3.34Å; Q80-N172 PolarHBondContact NE2-ND2 2.95Å
81R33.8Very low31Very low213 Ų21392.5 Ų92.580%0.80450%0.497SS*.Hα-helixtrans-85.7-24.7177.5-97.4-150.6166.5174.9-0.7114.5L78 H79L78-R81 PolarHBondContact O-N 3.25Å; H79-R81 PolarHBondContact O-N 3.18Å
82Q35.8Very low30.9Very low117 Ų11796 Ų9655%0.54751%0.511SS..Hα-helixtrans-83.2-26179.7-75.1-174.9-15.800113.4H79H79-Q82 PolarHBondContact O-N 3.2Å
83Q33.5Very low30.8Very low122 Ų12295.2 Ų95.257%0.5752%0.515SS*.SBendtrans-101.78.2-176.3-67-165.8-5.600115.1
84G27.9Very low30.6Very low43 Ų4392.1 Ų92.144%0.44350%0.499SS..  trans74.2141.7-175.400000112G86G84-G86 PolarHBondContact O-N 3.45Å
85A32.5Very low30.4Very low101 Ų10194 Ų9484%0.83550%0.504SS*.THydrogen-bonded Turntrans-61.3101.7175.400000109.5
86G28.6Very low30.2Very low65 Ų6597.1 Ų97.167%0.6751%0.514SS*.THydrogen-bonded Turntrans160-14.1176.500000117.6G84G84-G86 PolarHBondContact O-N 3.45Å
87R27.7Very low29.9Very low194 Ų194102.1 Ų102.173%0.73253%0.53SS*.  trans-102.6131.8177.5-70.3-143.4175.5-1601113.5V89R87-V89 PolarHBondContact O-N 3.02Å
88P33.1Very low29.6Very low127 Ų127101.2 Ų101.283%0.82552%0.524SS*.  trans-64.5120.9169.225.9-30.3000109D90P88-D90 PolarHBondContact O-N 3.1Å
89V32.3Very low29.2Very low29 Ų29104.6 Ų104.618%0.17654%0.536CS..  trans-81.3110173.6179.40000108.1R87 K174R87-V89 PolarHBondContact O-N 3.02Å; V89-K174 PolarHBondContact O-NZ 3.3Å
90D30.2Very low28.8Very low101 Ų101106.7 Ų106.754%0.5456%0.555SS.*  trans-67.9130.8174.6-151.9-29.8000109.6P88 K92 D93P88-D90 PolarHBondContact O-N 3.1Å; D90-K92 PolarHBondContact O-N 3.23Å; D90-D93 PolarHBondContact O-N 3Å
91F28.8Very low28.6Very low104 Ų104110.7 Ų110.746%0.45658%0.582SS.*Hα-helixtrans-68.2-18.3-172.1-77.4-86.8000112.9D93 K174F91-D93 VanDerWaalsContact C-N 3.33Å; F91-K174 HydrophobicContact CE1-CD 3.99Å; F91-K174 HydrophobicContact CE2-CD 3.66Å; F91-K174 HydrophobicContact CZ-CD 3.18Å
92K27Very low28.1Very low163 Ų163103.7 Ų103.771%0.70958%0.576SS**Hα-helixtrans-65.6-35.4174-81.2179.1173.5178.60112.4D90 I96D90-K92 PolarHBondContact O-N 3.23Å; K92-I96 WeakPolarHBondContact O-CD1 3.04Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å
93D27.3Very low27.5Very low97 Ų97102.4 Ų102.452%0.51959%0.586SS.*Hα-helixtrans-82.4-33-174.8-63.7-29.2000112.6D90 F91 L95 I96 Y97D90-D93 PolarHBondContact O-N 3Å; F91-D93 VanDerWaalsContact C-N 3.33Å; D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.46Å; D93-I96 PolarHBondContact O-N 3.49Å; D93-Y97 PolarHBondContact O-N 3.32Å
94A27.8Very low27Very low26 Ų26101.7 Ų101.722%0.21559%0.594CS.*Hα-helixtrans-68.2-26.517700000113.1
95L26.3Very low26.7Very low104 Ų104105.7 Ų105.755%0.54561%0.61SS.*Hα-helixtrans-78.6-29176.5-104.9141.3000112.8D93D93-L95 VanDerWaalsContact C-N 3.27Å; D93-L95 PolarHBondContact O-N 3.46Å
96I24.8Very low26.2Very low104 Ų104106 Ų10653%0.53361%0.607SS.*Hα-helixtrans-78.5-37.6179.6-64.5166.6000110.4K92 D93 Q98 H99 C100K92-I96 WeakPolarHBondContact O-CD1 3.04Å; K92-I96 WeakPolarHBondContact O-CG1 3.41Å; D93-I96 PolarHBondContact O-N 3.49Å; I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.29Å; I96-H99 PolarHBondContact O-N 3.14Å; I96-C100 PolarHBondContact O-SG 3.12Å
97Y23.4Very low25.8Very low154 Ų154109.4 Ų109.460%0.60461%0.614SS**Hα-helixtrans-65.4-28.2-180-116.1-91.4000114.2D93 H99 C100D93-Y97 PolarHBondContact O-N 3.32Å; Y97-H99 VanDerWaalsContact C-N 3.34Å; Y97-C100 PolarHBondContact O-N 3.38Å
98Q26.8Very low25.6Very low79 Ų79104.2 Ų104.237%0.36961%0.613SS.*THydrogen-bonded Turntrans-82.4-12.4-178-146.5175.4-0.300113.5I96I96-Q98 VanDerWaalsContact C-N 3.29Å; I96-Q98 PolarHBondContact O-N 3.29Å
99H24.1Very low25.1Very low172 Ų172102.9 Ų102.980%0.79661%0.606SS**THydrogen-bonded Turntrans-96.7-2.7172.2-98.3-86.8000113.4I96 Y97I96-H99 PolarHBondContact O-N 3.14Å; Y97-H99 VanDerWaalsContact C-N 3.34Å
100C22.4Very low24.7Very low84 Ų84106 Ų10657%0.56863%0.627SS**SBendtrans-110.85.2-172.1-66.70000115.7I96 Y97I96-C100 PolarHBondContact O-SG 3.12Å; Y97-C100 PolarHBondContact O-N 3.38Å
101T27.4Very low24.5Very low125 Ų125107 Ų10777%0.76764%0.637SS**  trans-106.853.8176.752.20000112.4
102G23.3Very low24.4Very low66 Ų66108.5 Ų108.568%0.6865%0.654SS**SBendtrans-126.2116154.900000105.7
103A22.7Very low24.3Very low91 Ų91106.3 Ų106.375%0.75266%0.658SS**SBendtrans82.6118.5-174.200000116.6
104S22.3Very low24.2Very low106 Ų106110.5 Ų110.574%0.74167%0.667SS**  trans8192.4143.7-64.10000120.1
105T22Very low24.1Very low127 Ų127115.2 Ų115.278%0.77970%0.698SS**  48.492.9120.960.90000118.1
106S21.4Very low24.2Very low109 Ų109115.4 Ų115.476%0.76271%0.708SS**  trans-174113.6130.9-910000112.3
107T22Very low24.1Very low136 Ų136113.6 Ų113.683%0.83472%0.715SS**SBendtrans44.4118.1145.460.10000119.6
108A22.3Very low24.2Very low85 Ų85117 Ų11770%0.70273%0.726SS**  trans91.270.6172.200000115.8
109S22.6Very low24.3Very low98 Ų98124.3 Ų124.369%0.68575%0.752SS**  trans-151.8118.6172.9-720000111.7V111S109-V111 PolarHBondContact O-N 3.32Å
110P25.1Very low24.3Very low95 Ų95120.1 Ų120.162%0.61776%0.756SS**  trans-72.8110.8168.327.9-28.7000109.4
111V24.6Very low24.4Very low121 Ų121119.9 Ų119.973%0.73377%0.767SS**  trans-65.6124171.3176.80000108.9S109S109-V111 PolarHBondContact O-N 3.32Å
112V26.6Very low24.4Very low137 Ų137123.5 Ų123.583%0.8378%0.778SS**  trans-125.4101.9166-177.30000108.1
113C24.6Very low24.5Very low116 Ų116128.4 Ų128.478%0.78479%0.788SS**  trans-69.2128.2179.1-61.10000110.4
114R26.1Very low24.6Very low186 Ų186128.2 Ų128.270%0.70279%0.786SS**  trans-91.6124.9170.7-150.7174.8178.7136.9-0.5108S116R114-S116 PolarHBondContact O-N 3.16Å
115S24.5Very low24.6Very low125 Ų125128.6 Ų128.687%0.87479%0.789SS**  trans-71.598.1173.5-1610000108.5G117S115-G117 PolarHBondContact O-N 3.24Å; S115-G117 VanDerWaalsContact O-N 3.14Å
116S28.8Very low24.8Very low108 Ų108128.5 Ų128.576%0.75579%0.79SS**  trans-75.795.5172-67.20000108.3R114 R118R114-S116 PolarHBondContact O-N 3.16Å; S116-R118 PolarHBondContact O-N 3.28Å
117G24.2Very low25Very low65 Ų65126.2 Ų126.267%0.6778%0.784SS**  trans-63.7130.9163.200000109.6S115S115-G117 PolarHBondContact O-N 3.24Å; S115-G117 VanDerWaalsContact O-N 3.14Å
118R25.5Very low25.2Very low225 Ų225129.2 Ų129.285%0.84979%0.788SS**SBendtrans109.1128.9174-61.1173-168-114.32.2112.8S116S116-R118 PolarHBondContact O-N 3.28Å
119Y27Very low25.4Very low233 Ų233130.7 Ų130.791%0.91479%0.794SS**  trans93.792.8-179.9-55.2-74.2000115.5
120G24.4Very low25.4Very low85 Ų85132.3 Ų132.388%0.87681%0.805SS**  trans-72.8172.6168.600000113.1
121G26Very low25.6Very low78 Ų78132.5 Ų132.580%0.80482%0.815SS**  trans108.763.2172.100000113.8L123G121-L123 PolarHBondContact O-N 3.28Å
122M25.6Very low25.6Very low202 Ų202131.4 Ų131.4100%0.99582%0.818SS**  trans-73.4116.1162-70.6-171.8-171.900108.8
123L25.5Very low25.4Very low169 Ų169128.4 Ų128.489%0.88582%0.815SS**  trans-112.8124.9166.8-103.1159.4000108.9G121G121-L123 PolarHBondContact O-N 3.28Å
124A25.1Very low25.4Very low86 Ų86130.3 Ų130.371%0.71182%0.817SS**  trans63.5113.8163.600000117.6
125S23.3Very low25.3Very low114 Ų114125 Ų12580%0.79782%0.821SS**  62.6154.572.1-73.50000113.8
126P26.5Very low25.3Very low126 Ų126125.5 Ų125.582%0.81882%0.823SS**  cis-137.7159.5-11.525.1-2.6000113.8
127G25.1Very low25.3Very low61 Ų61125.4 Ų125.463%0.62982%0.822SS**  trans123.5104.6151.400000115.2
128Q25.4Very low25.4Very low198 Ų198127 Ų12793%0.92583%0.829SS**  trans74.2114.4150.1-48.1172.238.800113.7
129S26.9Very low25.3Very low116 Ų116120.4 Ų120.481%0.81182%0.818SS**  cis-162145.72343.40000108.7
130S23.6Very low25.2Very low132 Ų132113.4 Ų113.492%0.92380%0.799SS**  trans-77119.5-173.4-22.40000110.8
131A27.8Very low25.1Very low100 Ų100115 Ų11583%0.82680%0.797SS**  trans-127.5132.5155.500000108.1
132A24.3Very low25.2Very low97 Ų97116.3 Ų116.380%0.80279%0.785SS**  trans-56.6158.2-164.200000114.6
133G23.1Very low25.1Very low74 Ų74115.9 Ų115.976%0.76378%0.778SS**  trans-51.3137.4-167.900000114.9
134N25.3Very low25.3Very low156 Ų156115 Ų11583%0.83477%0.774SS**  trans-137.499160.9-92.9-22.2000106.5C136N134-C136 PolarHBondContact O-N 2.82Å
135G23.8Very low25.4Very low76 Ų76114 Ų11478%0.78477%0.772SS**  trans-53.8122.3162.400000107.8S137G135-S137 PolarHBondContact O-N 3.47Å
136C25.1Very low25.7Very low135 Ų135112.2 Ų112.291%0.91275%0.75SS**  trans-62.494.9168.4-80.10000107.2N134 A138N134-C136 PolarHBondContact O-N 2.82Å; C136-A138 PolarHBondContact O-N 3.27Å
137S27.6Very low25.9Very low106 Ų106112.6 Ų112.674%0.74174%0.741SS**  trans-56.7132.1177-158.40000108.3G135 S139G135-S137 PolarHBondContact O-N 3.47Å; S137-S139 PolarHBondContact O-N 2.75Å
138A27.3Very low26.1Very low99 Ų99111.8 Ų111.882%0.81873%0.725SS**SBendtrans-71.367.2176.300000109.7C136C136-A138 PolarHBondContact O-N 3.27Å
139S23.5Very low26.3Very low86 Ų86107.2 Ų107.260%0.60172%0.715SS**SBendtrans-173.7118.9171.9-81.10000111.6S137S137-S139 PolarHBondContact O-N 2.75Å
140T25Very low26.7Very low85 Ų85110.3 Ų110.352%0.52172%0.715SS.*  trans58.399.2135.763.60000119.3
141S22.4Very low27.1Very low118 Ų118108.1 Ų108.183%0.82570%0.704SS**  trans-16477.1136.944.60000110.8
142L26.5Very low27.3Very low107 Ų107106.4 Ų106.456%0.5670%0.696SS**BIsolated β-bridgetrans-84.7120.6158.4-79.5163.5000107.5N144 F146L142-N144 PolarHBondContact O-N 3.21Å; L142-F146 HydrophobicContact CB-CB 3.9Å; L142-F146 HydrophobicContact CD1-CB 4.45Å
143F25.1Very low27.5Very low192 Ų192110.2 Ų110.284%0.84270%0.703SS**THydrogen-bonded Turntrans-36.4132.2172.4-83.2-100.5000111.8
144N29Very low27.9Very low152 Ų152112.7 Ų112.781%0.81370%0.699SS**THydrogen-bonded Turntrans63.460178-75.28.9000116.8L142 F146L142-N144 PolarHBondContact O-N 3.21Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 WeakPolarHBondContact O-CD2 3.38Å; N144-F146 WeakPolarHBondContact O-CE2 3.33Å; N144-F146 PolarHBondContact O-N 3.31Å
145G27.8Very low28.4Very low65 Ų65110.5 Ų110.567%0.6769%0.691SS**THydrogen-bonded Turntrans7417.2157.800000116.2
146F28.8Very low28.8Very low76 Ų76112.6 Ų112.633%0.33368%0.684SS.*BIsolated β-bridgetrans-91.3115.2174.8-71.9-88000110.5L142 N144 M161L142-F146 HydrophobicContact CB-CB 3.9Å; L142-F146 HydrophobicContact CD1-CB 4.45Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 WeakPolarHBondContact O-CD2 3.38Å; N144-F146 WeakPolarHBondContact O-CE2 3.33Å; N144-F146 PolarHBondContact O-N 3.31Å; F146-M161 HydrophobicContact CE1-CG 3.83Å; F146-M161 HydrophobicContact CE1-SD 4.05Å; F146-M161 HydrophobicContact CZ-CG 4.46Å; F146-M161 HydrophobicContact CZ-SD 4.44Å
147H29.9Very low29.3Very low133 Ų133110.5 Ų110.562%0.61667%0.667SS**  trans-105.6105.4170.8-68.5-98.9000108.6
148S30.7Very low29.6Very low44 Ų44109.4 Ų109.431%0.30866%0.659SS.*  trans-97.2119.1166.558.30000108.6
149S29Very low30.2Very low102 Ų102110.1 Ų110.171%0.71365%0.648SS**  trans-100.1121.6166.1-65.70000108.2A151S149-A151 PolarHBondContact O-N 3.49Å
150F34.3Very low30.8Very low182 Ų182114.3 Ų114.380%0.79865%0.651SS**  trans-84.793.5171.1-65.7-84.7000107.4
151A32.6Very low31.5Very low86 Ų86113.7 Ų113.771%0.71164%0.643SS**  trans-83.4142.7164.600000108.1S149S149-A151 PolarHBondContact O-N 3.49Å
152G31.4Very low32.4Very low63 Ų63119.3 Ų119.365%0.64965%0.646SS**SBendtrans-58.1157.2-165.100000116.2D154G152-D154 PolarHBondContact O-N 3.39Å
153D29.8Very low33.1Very low177 Ų177117.5 Ų117.595%0.94764%0.64SS**SBendtrans41.7-3.9163.2-76.4-28.6000122
154D31.3Very low33.8Very low126 Ų126111.3 Ų111.367%0.67462%0.616SS**SBendtrans-105.4128.5172.6-71.5-46.9000110.1G152 L156G152-D154 PolarHBondContact O-N 3.39Å; D154-L156 PolarHBondContact O-N 3.45Å
155T34.7Very low34.4Very low111 Ų111110.3 Ų110.368%0.68162%0.621SS**SBendtrans-63.233.7-175.736.20000115
156L32.6Very low35.1Very low119 Ų119113.8 Ų113.862%0.62362%0.62SS**  trans-119.6126.2-172.9-60.9177.3000110D154D154-L156 PolarHBondContact O-N 3.45Å
157V35.5Very low35.7Very low91 Ų91112.5 Ų112.555%0.55263%0.628SS**  trans-106.5117.4172.4-177.90000107.3I159V157-I159 HydrophobicContact CG1-CD1 4.41Å; V157-I159 HydrophobicContact CG1-CG1 3.85Å
158S35.5Very low36.3Very low84 Ų84112.9 Ų112.959%0.58762%0.624SS**  trans-77.7123.5168.6-1700000109.1
159I38.5Very low37Very low114 Ų114115.7 Ų115.759%0.58563%0.631SS**  trans-119.8124.7178.6-54.6175.7000108.3V157 M161V157-I159 HydrophobicContact CG1-CD1 4.41Å; V157-I159 HydrophobicContact CG1-CG1 3.85Å; I159-M161 HydrophobicContact CG2-CG 3.84Å; I159-M161 HydrophobicContact CG2-SD 4.31Å
160R36.8Very low37.8Very low173 Ų173114.4 Ų114.465%0.65363%0.634SS**  trans-108.1128172.1-66.4179.4175.1-140.4-16.5109E4E4-R160 IonicContact OE1-CZ 2.79Å; E4-R160 IonicContact OE1-NH1 3.53Å; E4-R160 IonicContact OE1-NH2 3.86Å; E4-R160 PolarHBondContact OE1-NH2 2.94Å
161M39.8Very low38.2Very low73 Ų73110.5 Ų110.536%0.3662%0.617SS.*  trans-134.4142.9177.8-59.4-164-58.300111.1F146 I159 F169 F171F146-M161 HydrophobicContact CE1-CG 3.83Å; F146-M161 HydrophobicContact CE1-SD 4.05Å; F146-M161 HydrophobicContact CZ-CG 4.46Å; F146-M161 HydrophobicContact CZ-SD 4.44Å; I159-M161 HydrophobicContact CG2-CG 3.84Å; I159-M161 HydrophobicContact CG2-SD 4.31Å; M161-F169 HydrophobicContact CB-CD1 3.91Å; M161-F169 HydrophobicContact CB-CE1 4.13Å; M161-F169 HydrophobicContact CE-CB 3.81Å; M161-F169 HydrophobicContact CE-CD1 3.69Å; M161-F169 HydrophobicContact CE-CG 4.01Å; M161-F171 HydrophobicContact CE-CD1 3.86Å; M161-F171 HydrophobicContact CE-CE1 3.61Å
162R40.5Very low38.6Very low236 Ų236111.9 Ų111.989%0.89161%0.612SS**  trans-94.1135.7165.1-71.7-174178.8176.10.8108.8
163P40.9Very low39Very low68 Ų68113.8 Ų113.844%0.44261%0.611SS.*  trans-65.4156.7172.828.7-33.8000110.8R168 F169P163-R168 WeakPolarHBondContact CA-O 3.28Å; P163-F169 HydrophobicContact CB-CE1 4.21Å; P163-F169 HydrophobicContact CB-CZ 4.34Å
164D40.4Very low39.4Very low62 Ų62109.2 Ų109.233%0.33258%0.583SS.*  trans-66.3177.1169.775.54.8000111.7Q166 G167 R168D164-Q166 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact OD1-C 3.24Å; D164-Q166 VanDerWaalsContact OD1-CA 3.28Å; D164-Q166 WeakPolarHBondContact OD1-CA 3.36Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.4Å; D164-Q166 PolarHBondContact OD1-N 3.33Å; D164-G167 PolarHBondContact O-N 3.42Å; D164-G167 PolarHBondContact OD1-N 2.84Å; D164-R168 PolarHBondContact N-O 3.06Å; D164-R168 WeakPolarHBondContact OD1-CB 3.36Å; D164-R168 PolarHBondContact OD1-N 3.41Å; D164-R168 IonicContact OD1-NE 3.85Å; D164-R168 IonicContact OD2-CZ 3.34Å; D164-R168 IonicContact OD2-NE 2.87Å; D164-R168 PolarHBondContact OD2-NE 3.1Å; D164-R168 IonicContact OD2-NH2 2.91Å; D164-R168 PolarHBondContact OD2-NH2 3.16Å
165S41.4Very low39.3Very low131 Ų131107 Ų10792%0.91657%0.573SS**THydrogen-bonded Turntrans-62.1-10.6178.359.20000114.2
166Q43.4Very low38.9Very low138 Ų138106.9 Ų106.965%0.64557%0.568SS**THydrogen-bonded Turntrans-106.18.1175.4-55.9-148.9-71.200112.8D164 R168D164-Q166 PolarHBondContact O-N 3.35Å; D164-Q166 VanDerWaalsContact OD1-C 3.24Å; D164-Q166 VanDerWaalsContact OD1-CA 3.28Å; D164-Q166 WeakPolarHBondContact OD1-CA 3.36Å; D164-Q166 WeakPolarHBondContact OD1-CB 3.4Å; D164-Q166 PolarHBondContact OD1-N 3.33Å; Q166-R168 HydrophobicContact CB-CG 4.36Å; Q166-R168 VanDerWaalsContact OE1-CZ 3.29Å
167G41.4Very low38.6Very low50 Ų50109.3 Ų109.352%0.51558%0.575SS.*SBendtrans8210.6179.400000114.9D164D164-G167 PolarHBondContact O-N 3.42Å; D164-G167 PolarHBondContact OD1-N 2.84Å
168R42.9Very low38.1Very low140 Ų140108 Ų10853%0.52857%0.574SS.*  trans-97.3146.8-174.5-53177.8-62.2-158.4-5.1112P163 D164 Q166P163-R168 WeakPolarHBondContact CA-O 3.28Å; D164-R168 PolarHBondContact N-O 3.06Å; D164-R168 WeakPolarHBondContact OD1-CB 3.36Å; D164-R168 PolarHBondContact OD1-N 3.41Å; D164-R168 IonicContact OD1-NE 3.85Å; D164-R168 IonicContact OD2-CZ 3.34Å; D164-R168 IonicContact OD2-NE 2.87Å; D164-R168 PolarHBondContact OD2-NE 3.1Å; D164-R168 IonicContact OD2-NH2 2.91Å; D164-R168 PolarHBondContact OD2-NH2 3.16Å; Q166-R168 HydrophobicContact CB-CG 4.36Å; Q166-R168 VanDerWaalsContact OE1-CZ 3.29Å
169F45.3Very low37.6Very low104 Ų104112.2 Ų112.246%0.45659%0.586SS.*  trans-97.5-15.6173.8-66.9-74.2000114.2M161 P163 F171M161-F169 HydrophobicContact CB-CD1 3.91Å; M161-F169 HydrophobicContact CB-CE1 4.13Å; M161-F169 HydrophobicContact CE-CB 3.81Å; M161-F169 HydrophobicContact CE-CD1 3.69Å; M161-F169 HydrophobicContact CE-CG 4.01Å; P163-F169 HydrophobicContact CB-CE1 4.21Å; P163-F169 HydrophobicContact CB-CZ 4.34Å; F169-F171 HydrophobicContact CB-CD1 3.6Å; F169-F171 HydrophobicContact CB-CE1 3.35Å; F169-F171 HydrophobicContact CB-CZ 4.48Å; F169-F171 HydrophobicContact CD2-CE1 4.47Å; F169-F171 HydrophobicContact CG-CE1 4.06Å
170G44.5Very low37.1Very low74 Ų74110.7 Ų110.776%0.76358%0.579SS**  trans76.128.6171.800000115.9
171F42.9Very low36.4Very low100 Ų100107.8 Ų107.844%0.43958%0.584SS.*  trans-125.5148.8171.364.8-92000111.2M161 F169 V173M161-F171 HydrophobicContact CE-CD1 3.86Å; M161-F171 HydrophobicContact CE-CE1 3.61Å; F169-F171 HydrophobicContact CB-CD1 3.6Å; F169-F171 HydrophobicContact CB-CE1 3.35Å; F169-F171 HydrophobicContact CB-CZ 4.48Å; F169-F171 HydrophobicContact CD2-CE1 4.47Å; F169-F171 HydrophobicContact CG-CE1 4.06Å; F171-V173 HydrophobicContact CD2-CG1 4.05Å; F171-V173 HydrophobicContact CE2-CG1 3.83Å
172N40.5Very low35.7Very low116 Ų116114 Ų11462%0.6261%0.609SS**  trans-101.9142.9170.1-72-20.7000110.2Q80Q80-N172 VanDerWaalsContact NE2-CB 3.34Å; Q80-N172 PolarHBondContact NE2-ND2 2.95Å
173V41.5Very low35Very low102 Ų102114.4 Ų114.462%0.61861%0.61SS**  trans-100.3130.6168.8-650000108.6F171F171-V173 HydrophobicContact CD2-CG1 4.05Å; F171-V173 HydrophobicContact CE2-CG1 3.83Å
174K36.4Very low34.2Very low82 Ų82119.9 Ų119.936%0.35765%0.65SS.*  trans-90.2113172.9-74.5-166176-179.10108.6Y53 V89 F91Y53-K174 WeakPolarHBondContact CE1-O 3.22Å; Y53-K174 PolarHBondContact OH-O 2.92Å; V89-K174 PolarHBondContact O-NZ 3.3Å; F91-K174 HydrophobicContact CE1-CD 3.99Å; F91-K174 HydrophobicContact CE2-CD 3.66Å; F91-K174 HydrophobicContact CZ-CD 3.18Å
175V29.6Very low33.9Very low79 Ų79122.8 Ų122.848%0.47967%0.666SS.*  trans-76.8119171.6179.70000109.4V51 Y53V51-V175 HydrophobicContact CG1-CB 4.2Å; V51-V175 HydrophobicContact CG1-CG1 3.49Å; V51-V175 VanDerWaalsContact CG1-CG1 3.49Å; V51-V175 HydrophobicContact CG1-CG2 3.98Å; V51-V175 HydrophobicContact CG2-CG1 4.21Å; V51-V175 HydrophobicContact CG2-CG2 3.88Å; Y53-V175 VanDerWaalsContact OH-CA 3.28Å; Y53-V175 WeakPolarHBondContact OH-CA 3.28Å; Y53-V175 PolarHBondContact OH-N 2.77Å
176I27.1Very low33.5Very low109 Ų109122.3 Ų122.356%0.55965%0.653SS**  trans-103.9107174.2-58176.6000107A178I176-A178 PolarHBondContact O-N 3.38Å
177H25Very low33Very low170 Ų170121.4 Ų121.479%0.78765%0.653SS**  trans-80.6105.9173-131.1-141.9000108.5
178A26.7Very low32.5Very low64 Ų64125.6 Ų125.653%0.52966%0.661SS.*  trans-99101.9173.400000109.4I176 I180I176-A178 PolarHBondContact O-N 3.38Å; A178-I180 PolarHBondContact O-N 2.89Å
179M24Very low31.8Very low171 Ų171124.8 Ų124.884%0.84267%0.67SS**  trans-70.8112.8164.1-80.6-175.2-173.300108.6
180I27.6Very low30.9Very low82 Ų82126.1 Ų126.142%0.42168%0.684SS.*  trans-91.3105.2166.9-64.5172.3000107.4A178 K182A178-I180 PolarHBondContact O-N 2.89Å; I180-K182 PolarHBondContact O-N 3.05Å
181C23.4Very low30Very low112 Ų112129.9 Ų129.976%0.75768%0.678SS**  trans-65118.6165.2-63.80000108.9
182K24.5Very low29Very low204 Ų204132.2 Ų132.289%0.88770%0.697SS**  trans-80.4114.9166.7-168175.5-177.6176.70107.5I180I180-K182 PolarHBondContact O-N 3.05Å
183W25.3Very low28Very low245 Ų245133.5 Ų133.593%0.92870%0.703SS**  trans-79.9141.5164.6-107.256.6000108.9
184S25.5Very low26.8Very low182 Ų182136.4 Ų136.4100%1.27371%0.711SS**  trans-66.90-176.5-170.70000113.5

Retrieved 184 of 184 residues in 118.2 ms (Link to these results)