A0A075B5H9_LEPOC Loading...

Paired related homeobox 2

AlphaFold DB (W5VVF1), UniProt , Accession A0A075B5H9, Species LEPOC (Lepisosteus oculatus, Spotted gar), Gene n/a, Length 244 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
1M41.7Very low45.9Very low249 Ų249155.4 Ų155.4100%1.22779%0.789SS**  0127.90-73.2-67.4-179.400106.5
2D42Very low45.8Very low147 Ų147149 Ų14979%0.78678%0.778SS**  trans-86.4-178-151.4-154.2-84.4000114.1
3T43.7Very low45.7Very low129 Ų129147.2 Ų147.279%0.79178%0.78SS**  trans83.2119.7166.172.90000115.9
4G43.2Very low45.8Very low64 Ų64146.1 Ų146.166%0.6678%0.783SS**  cis124.6119.117.500000107.7
5Y49.1Very low45.8Very low237 Ų237144.1 Ų144.193%0.92979%0.785SS**  trans-169.3106.5146.7-104.4-72.7000110.4
6L50.1Low45.7Very low140 Ų140144.9 Ų144.973%0.73379%0.787SS**  trans-69.6119.8168.4-178.277.6000108.9E8L6-E8 HydrophobicContact CD2-CB 4.46Å; L6-E8 HydrophobicContact CG-CB 4.36Å
7V58.3Low45.6Very low136 Ų136141.1 Ų141.182%0.82477%0.774SS**  trans-107.590.7159.1-176.60000107.9K9V7-K9 PolarHBondContact O-N 2.91Å
8E45.9Very low45.6Very low121 Ų121145.2 Ų145.257%0.56578%0.776SS**  trans-62104170.1-160.4-179.3132.400109.1L6 Q10L6-E8 HydrophobicContact CD2-CB 4.46Å; L6-E8 HydrophobicContact CG-CB 4.36Å; E8-Q10 VanDerWaalsContact C-N 3.32Å; E8-Q10 HydrophobicContact CG-CG 4.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; E8-Q10 VanDerWaalsContact O-N 3.13Å; E8-Q10 PolarHBondContact OE1-NE2 3.45Å
9K49.6Very low45.4Very low174 Ų174146.6 Ų146.676%0.75778%0.779SS**  trans-86.183.8172.5-140.2173-173.8178.20108.8V7 F11V7-K9 PolarHBondContact O-N 2.91Å; K9-F11 HydrophobicContact CD-CE2 4.09Å; K9-F11 HydrophobicContact CG-CE2 4.14Å; K9-F11 PolarHBondContact O-N 3.08Å; K9-F11 VanDerWaalsContact O-N 3.14Å
10Q39.1Very low45Very low139 Ų139144.8 Ų144.865%0.6577%0.77SS**  trans-57.6103.8165.8-71.4-7813.300109.7E8E8-Q10 VanDerWaalsContact C-N 3.32Å; E8-Q10 HydrophobicContact CG-CG 4.34Å; E8-Q10 PolarHBondContact O-N 3.13Å; E8-Q10 VanDerWaalsContact O-N 3.13Å; E8-Q10 PolarHBondContact OE1-NE2 3.45Å
11F42.7Very low45.2Very low173 Ų173142.2 Ų142.276%0.75976%0.763SS**  trans-99.4102.5153.4-78.2-79.6000106.8K9K9-F11 HydrophobicContact CD-CE2 4.09Å; K9-F11 HydrophobicContact CG-CE2 4.14Å; K9-F11 PolarHBondContact O-N 3.08Å; K9-F11 VanDerWaalsContact O-N 3.14Å
12A44.1Very low45.3Very low79 Ų79138.9 Ų138.965%0.65375%0.75SS**  trans-54.5139173.200000110.3T14A12-T14 PolarHBondContact O-N 3.34Å
13P44.4Very low45.3Very low125 Ų125137 Ų13781%0.81274%0.739SS**  trans-70116.8172.728.1-31.9000109.2S15P13-S15 PolarHBondContact O-N 3.04Å
14T47.1Very low45.3Very low133 Ų133134.2 Ų134.282%0.81674%0.737SS**  trans-63.7105.2167.8-45.20000108.1A12 L16A12-T14 PolarHBondContact O-N 3.34Å; T14-L16 PolarHBondContact O-N 3.13Å
15S45.6Very low45.3Very low116 Ų116135.6 Ų135.681%0.81174%0.737SS**  trans-59.298171.9-162.90000109.2P13P13-S15 PolarHBondContact O-N 3.04Å
16L44.3Very low45Very low157 Ų157130.1 Ų130.182%0.82272%0.719SS**  trans-93.9108.5160.8-136.995.8000107T14 R18T14-L16 PolarHBondContact O-N 3.13Å; L16-R18 PolarHBondContact O-N 2.98Å; L16-R18 VanDerWaalsContact O-N 3.13Å
17S44Very low44.9Very low80 Ų80129.9 Ų129.956%0.55972%0.719SS**  trans-31.3109.5172.9510000114M19S17-M19 PolarHBondContact O-N 2.95Å
18R45.3Very low44.7Very low215 Ų215134 Ų13481%0.81172%0.72SS**  3.491.8127.3-169.5176.6-167.6154.22.7113.2L16 D20L16-R18 PolarHBondContact O-N 2.98Å; L16-R18 VanDerWaalsContact O-N 3.13Å; R18-D20 IonicContact NE-OD1 3.31Å
19M43.3Very low45Very low171 Ų171135.2 Ų135.284%0.84272%0.723SS**  trans-87.399.4153.3-73.6-72.9149.200105.8S17 S21S17-M19 PolarHBondContact O-N 2.95Å; M19-S21 PolarHBondContact O-N 2.75Å
20D37.8Very low45.2Very low111 Ų111131.4 Ų131.459%0.59471%0.711SS**  trans-62.7119.3170.3-158.497.6000109R18R18-D20 IonicContact NE-OD1 3.31Å
21S48.1Very low46.3Very low90 Ų90128.5 Ų128.563%0.62970%0.696SS**  trans22.2110.1144-41.50000118.5M19M19-S21 PolarHBondContact O-N 2.75Å
22L44.1Very low47.7Very low180 Ų180123.6 Ų123.694%0.94268%0.68SS**  trans-133.998.9138.8-81.2172.7000109.8
23D41.4Very low48.8Very low106 Ų106120 Ų12057%0.56765%0.651SS**  trans70.971.2149.6-156.216.7000120.9S25 Q26D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 VanDerWaalsContact OD1-N 3.13Å; D23-Q26 VanDerWaalsContact OD1-CG 3.29Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.05Å; D23-Q26 PolarHBondContact OD1-N 3.33Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.49Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.29Å
24G43.9Very low49.9Very low72 Ų72116 Ų11674%0.74263%0.625SS**SBendtrans-93.99.4154.600000114.2
25S42.5Very low51Low93 Ų93113.4 Ų113.465%0.6560%0.604SS**SBendtrans-112.8-13.4-167.9-103.30000115.2D23 N27D23-S25 PolarHBondContact OD1-N 2.93Å; D23-S25 VanDerWaalsContact OD1-N 3.13Å; S25-N27 VanDerWaalsContact C-N 3.3Å
26Q43.9Very low51.9Low122 Ų122108.1 Ų108.157%0.5757%0.566SS**G310 helixtrans-74.7-20.1169.2-64.9-65.1-1800112.9D23 R28 K29D23-Q26 VanDerWaalsContact OD1-CG 3.29Å; D23-Q26 WeakPolarHBondContact OD1-CG 3.05Å; D23-Q26 PolarHBondContact OD1-N 3.33Å; D23-Q26 WeakPolarHBondContact OD2-CB 3.49Å; D23-Q26 WeakPolarHBondContact OD2-CG 3.29Å; Q26-R28 PolarHBondContact O-N 3.1Å; Q26-R28 VanDerWaalsContact O-N 3.08Å; Q26-K29 PolarHBondContact O-N 3.2Å
27N48.1Very low53Low135 Ų135102 Ų10272%0.72253%0.534SS*.G310 helixtrans-73.2-4-171.2-160.844.1000115.5S25S25-N27 VanDerWaalsContact C-N 3.3Å
28R54.1Low53.9Low222 Ų222102.8 Ų102.884%0.83853%0.532SS*.G310 helixtrans-99.8-17.8-178.5-69.1-75.5-163.6175.93.9113.9Q26Q26-R28 PolarHBondContact O-N 3.1Å; Q26-R28 VanDerWaalsContact O-N 3.08Å
29K51.9Low54.3Low147 Ų14797.4 Ų97.464%0.63952%0.519SS*.THydrogen-bonded Turntrans-84.5-16.4-162.1-62.8-175.9-174.8173.30114.2Q26Q26-K29 PolarHBondContact O-N 3.2Å
30N52.8Low54.5Low94 Ų9496 Ų9650%0.50351%0.51SS..THydrogen-bonded Turntrans-146.254.7176.3-62.1-61.5000112.2T32 H35N30-T32 PolarHBondContact O-N 2.67Å; N30-H35 HydrophobicContact CB-CB 3.99Å; N30-H35 WeakPolarHBondContact O-CB 3.37Å; N30-H35 PolarHBondContact O-CD2 3.14Å
31F63.9Low55Low78 Ų7899.5 Ų99.534%0.34252%0.523SS..  trans-75.544.1168.6-158.2-102.5000111.4L36 T117 V124F31-L36 HydrophobicContact CD2-CD1 4.21Å; F31-L36 HydrophobicContact CE2-CD1 4.04Å; F31-L36 HydrophobicContact CE2-CD2 4.39Å; F31-L36 HydrophobicContact CZ-CD2 4.33Å; F31-T117 HydrophobicContact CE1-CG2 4.17Å; F31-T117 HydrophobicContact CE2-CG2 4.4Å; F31-T117 HydrophobicContact CZ-CG2 3.47Å; F31-T117 VanDerWaalsContact CZ-CG2 3.47Å; F31-V124 HydrophobicContact CD1-CG2 3.94Å; F31-V124 HydrophobicContact CE1-CB 4.49Å; F31-V124 HydrophobicContact CE1-CG1 3.97Å; F31-V124 HydrophobicContact CE1-CG2 3.82Å
32T71.2Confident54.9Low69 Ų69102.1 Ų102.142%0.42354%0.535SS..  trans-89.3142.217366.10000108.1N30 S34 H35 L36N30-T32 PolarHBondContact O-N 2.67Å; T32-S34 PolarHBondContact O-N 2.73Å; T32-S34 VanDerWaalsContact O-N 3.13Å; T32-H35 PolarHBondContact O-N 2.85Å; T32-H35 VanDerWaalsContact O-N 3.1Å; T32-H35 WeakPolarHBondContact OG1-CB 3.41Å; T32-H35 PolarHBondContact OG1-N 3.26Å; T32-L36 PolarHBondContact O-N 3.13Å
33V66.5Low54.9Low5 Ų599.7 Ų99.73%0.0353%0.533CS..Hα-helixtrans-59.4-25.3175.6-177.60000110.9L36 L37 V124 E127 L128V33-L36 PolarHBondContact O-N 3.25Å; V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.28Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.81Å; V33-L37 VanDerWaalsContact O-N 3.11Å; V33-V124 HydrophobicContact CG2-CB 4.42Å; V33-V124 HydrophobicContact CG2-CG1 3.74Å; V33-V124 WeakPolarHBondContact CG2-O 3.2Å; V33-E127 HydrophobicContact CB-CB 4.28Å; V33-E127 HydrophobicContact CB-CG 3.64Å; V33-E127 HydrophobicContact CG1-CG 4.22Å; V33-E127 HydrophobicContact CG2-CB 3.91Å; V33-E127 HydrophobicContact CG2-CG 3.84Å; V33-L128 HydrophobicContact CG1-CB 4.16Å; V33-L128 HydrophobicContact CG1-CD1 4Å
34S68.9Low54.8Low39 Ų3998.1 Ų98.127%0.27354%0.542SS..Hα-helixtrans-59.5-59.6169-136.90000112.4T32 L36 L37 D38 R131T32-S34 PolarHBondContact O-N 2.73Å; T32-S34 VanDerWaalsContact O-N 3.13Å; S34-L36 PolarHBondContact O-N 2.79Å; S34-L36 VanDerWaalsContact O-N 3.1Å; S34-L37 PolarHBondContact O-N 2.97Å; S34-D38 WeakPolarHBondContact CB-OD2 3.33Å; S34-D38 WeakPolarHBondContact O-CB 3.42Å; S34-D38 PolarHBondContact O-N 3.1Å; S34-D38 VanDerWaalsContact O-OD2 3.13Å; S34-D38 PolarHBondContact OG-OD2 3.05Å; S34-R131 VanDerWaalsContact CA-CZ 3.44Å; S34-R131 VanDerWaalsContact CA-NH1 3.34Å; S34-R131 PolarHBondContact OG-NH2 3.13Å
35H68.9Low54.9Low79 Ų79103.5 Ų103.537%0.36655%0.55SS.*Hα-helixtrans-60-30.3179.5-172.264.3000112.6N30 T32 L39N30-H35 HydrophobicContact CB-CB 3.99Å; N30-H35 WeakPolarHBondContact O-CB 3.37Å; N30-H35 PolarHBondContact O-CD2 3.14Å; T32-H35 PolarHBondContact O-N 2.85Å; T32-H35 VanDerWaalsContact O-N 3.1Å; T32-H35 WeakPolarHBondContact OG1-CB 3.41Å; T32-H35 PolarHBondContact OG1-N 3.26Å; H35-L39 WeakPolarHBondContact O-CD1 3.43Å; H35-L39 WeakPolarHBondContact O-CG 3.45Å
36L66.1Low54.8Low5 Ų5107.4 Ų107.43%0.02656%0.564CS.*Hα-helixtrans-67-34.1175.3-115.767.4000114.3F31 T32 V33 S34 V113 R116F31-L36 HydrophobicContact CD2-CD1 4.21Å; F31-L36 HydrophobicContact CE2-CD1 4.04Å; F31-L36 HydrophobicContact CE2-CD2 4.39Å; F31-L36 HydrophobicContact CZ-CD2 4.33Å; T32-L36 PolarHBondContact O-N 3.13Å; V33-L36 PolarHBondContact O-N 3.25Å; S34-L36 PolarHBondContact O-N 2.79Å; S34-L36 VanDerWaalsContact O-N 3.1Å; L36-V113 HydrophobicContact CD2-CB 3.94Å; L36-V113 HydrophobicContact CD2-CG1 3.8Å; L36-V113 HydrophobicContact CD2-CG2 3.72Å; L36-R116 PolarHBondContact O-NH1 3.11Å
37L66.3Low54.5Low28 Ų28105 Ų10515%0.14757%0.571CS.*Hα-helixtrans-102.4-19-175.6-64.6174000113.2V33 S34 A109 L128 R131V33-L37 HydrophobicContact CG1-CD1 3.69Å; V33-L37 HydrophobicContact CG1-CG 4.28Å; V33-L37 WeakPolarHBondContact O-CB 3.41Å; V33-L37 WeakPolarHBondContact O-CG 3.49Å; V33-L37 PolarHBondContact O-N 2.81Å; V33-L37 VanDerWaalsContact O-N 3.11Å; S34-L37 PolarHBondContact O-N 2.97Å; L37-A109 HydrophobicContact CD2-CB 3.85Å; L37-L128 HydrophobicContact CD1-CD1 4.22Å; L37-R131 HydrophobicContact CD1-CB 4.42Å; L37-R131 VanDerWaalsContact CD1-CD 3.41Å
38D62.3Low54.1Low97 Ų97105.7 Ų105.752%0.51958%0.58SS.*SBendtrans-89.3-4-175.9-62.2-13000113.2S34 E40 R131S34-D38 WeakPolarHBondContact CB-OD2 3.33Å; S34-D38 WeakPolarHBondContact O-CB 3.42Å; S34-D38 PolarHBondContact O-N 3.1Å; S34-D38 VanDerWaalsContact O-OD2 3.13Å; S34-D38 PolarHBondContact OG-OD2 3.05Å; D38-E40 PolarHBondContact O-N 3.11Å; D38-R131 IonicContact OD1-NH1 2.95Å
39L54.3Low53.7Low103 Ų103104 Ų10454%0.53958%0.579SS.*THydrogen-bonded Turntrans-74.122.6-180-84.2167.1000114.7H35H35-L39 WeakPolarHBondContact O-CD1 3.43Å; H35-L39 WeakPolarHBondContact O-CG 3.45Å
40E47.3Very low52.9Low141 Ų141105.5 Ų105.566%0.65959%0.588SS**THydrogen-bonded Turntrans-10412.9178.6-103.9-176.7139.500115.3D38 R112D38-E40 PolarHBondContact O-N 3.11Å; E40-R112 IonicContact OE2-CZ 3.37Å; E40-R112 IonicContact OE2-NE 3.58Å; E40-R112 IonicContact OE2-NH2 2.78Å; E40-R112 PolarHBondContact OE2-NH2 2.9Å
41E47.6Very low52.7Low184 Ų184106.6 Ų106.686%0.8660%0.6SS**SBendtrans-107.11.3178.1-77-140.4144.900117.6
42V47.2Very low51.3Low146 Ų146106.4 Ų106.489%0.88562%0.62SS**SBendtrans-13632.5-175-142.20000117
43S43Very low49.5Very low129 Ų129114.9 Ų114.990%0.90264%0.644SS**SBendtrans-128.937.9171.4-168.50000114.1
44G40.3Very low48Very low72 Ų72119.2 Ų119.274%0.74268%0.675SS**  trans-134.615.8-177.900000116.8
45M46.2Very low46.6Very low186 Ų186124 Ų12492%0.91670%0.696SS**  trans-13084.6-177.8-62174.291.800112
46N39.6Very low45.1Very low175 Ų175131.5 Ų131.594%0.93672%0.721SS**  trans-141.2105.3153.2-102-29.7000107.5
47G38.3Very low43.7Very low70 Ų70140.5 Ų140.572%0.72276%0.763SS**SBendtrans154.290.216900000116.4
48V39.6Very low42.3Very low151 Ų151144.1 Ų144.192%0.91580%0.797SS**  trans91.4124.4147.3-164.20000118
49K44.5Very low41.1Very low187 Ų187142.5 Ų142.581%0.81380%0.803SS**  trans-76.3148.2177.1-56.5169.1177.2178.90110.5
50E35.5Very low40.4Very low178 Ų178148.1 Ų148.183%0.83282%0.823SS**  trans-176.7136.3135.1-94.6-46115.300109.8
51P49.3Very low39.8Very low117 Ų117144.5 Ų144.576%0.7682%0.824SS**  trans-108.2132.8173.335.3-23.4000112.3
52G34.1Very low39.5Very low73 Ų73143.5 Ų143.575%0.75382%0.824SS**  trans170.1104.1167.600000119
53R34.8Very low39Very low247 Ų247143.3 Ų143.393%0.93281%0.813SS**  trans69106.5144.3-70.6-172.9176-139.40122.3
54S34.4Very low38.6Very low97 Ų97144.3 Ų144.368%0.67880%0.804SS**  70.6120.9106.9-154.30000122.4
55I38.1Very low38.5Very low138 Ų138149.4 Ų149.471%0.70881%0.808SS**  trans74.6122.2140.3-72.9174.4000115.1
56R37.8Very low38.3Very low237 Ų237146.1 Ų146.189%0.89480%0.803SS**  -161.5154.370.5-68.3169.9-165.4-129.5-3.7113.8
57E38Very low38.1Very low194 Ų194141.5 Ų141.591%0.90780%0.797SS**  trans-64.2154174.7-65160.381.100116.2
58A36.9Very low38.2Very low104 Ų104145.1 Ų145.186%0.8681%0.805SS**  163.8127.9127.400000106.6
59G36.4Very low38.4Very low64 Ų64143.1 Ų143.166%0.6680%0.797SS**  cis134.6131.91900000107.5
60K39.3Very low38.8Very low221 Ų221140 Ų14096%0.96180%0.8SS**  trans79.5131.6160.2-49172.3-177.9-174.80116.1
61G34.3Very low38.9Very low65 Ų65134.9 Ų134.967%0.6779%0.794SS**  cis167.3166.31.700000111.3
62L41.9Very low38.7Very low163 Ų163133.9 Ų133.985%0.85379%0.79SS**  trans58.4143.6149.5-91.569.7000118.2
63Q37.3Very low38.9Very low142 Ų142138.3 Ų138.366%0.66479%0.791SS**  cis-167.4152.54.7178.9153.524.200107.9
64E34.7Very low39.3Very low150 Ų150131.3 Ų131.370%0.70179%0.786SS**  trans-29.1156.8166.3-57179.188.700118.2
65Q37.3Very low39.8Very low179 Ų179131.2 Ų131.284%0.83679%0.791SS**  -173130.9104.5-96.7163.282.200113.2
66S41.4Very low40.3Very low117 Ų117132.8 Ų132.882%0.81880%0.8SS**  trans-67.4149.7160.362.60000111.1
67G35.9Very low40.9Very low78 Ų78130.4 Ų130.480%0.80480%0.799SS**  trans-161.5104.8172.300000111.6
68V40.3Very low41.2Very low146 Ų146128.7 Ų128.789%0.88580%0.796SS**  trans-61.1173176-700000114.9
69S43.3Very low41.8Very low108 Ų108129.4 Ų129.476%0.75579%0.79SS**  trans113.299.6153.4-146.20000112.8
70S52.8Low42.4Very low123 Ų123132.6 Ų132.686%0.8679%0.792SS**  53.4112.655.1-159.30000113
71G38.6Very low42.5Very low70 Ų70127.4 Ų127.472%0.72278%0.784SS**  trans162.889.5175.900000113.3
72S44.9Very low43.1Very low96 Ų96132.2 Ų132.267%0.67179%0.793SS**  trans-50.1164.3146.644.50000110
73E38.9Very low43Very low165 Ų165129.7 Ų129.777%0.77179%0.789SS**  cis175.2156.537.136.6-142.975.500107.6
74A43.8Very low43.7Very low101 Ų101129.4 Ų129.484%0.83580%0.8SS**  trans41.9123.2148.400000122.5
75A43.1Very low43.9Very low94 Ų94125.4 Ų125.478%0.77780%0.798SS**  -169.5118.5124.300000111.3
76L48.6Very low44.3Very low172 Ų172126.1 Ų126.190%0.90180%0.802SS**  trans-64.3139.4159.4-64.7163.1000108.8
77Q50.4Low44.6Very low186 Ų186124.1 Ų124.187%0.86980%0.8SS**  trans-148.1115.6151.5-111.516664.700110.2
78D45.6Very low45.2Very low158 Ų158126.5 Ų126.585%0.84579%0.793SS**  trans-76.5124.7177.4-153.37.3000108.1
79T50.1Low45.7Very low120 Ų120127.7 Ų127.774%0.73679%0.794SS**  trans-138.395.5164.888.60000108.4
80D47.4Very low46.3Very low131 Ų131130.3 Ų130.370%0.70179%0.791SS**  trans-72.2121.2165.5-152.7-31.5000108.4
81S41.7Very low46.5Very low112 Ų112132.1 Ų132.178%0.78378%0.779SS**  trans-145.8100.6168.1-92.10000109.1S83S81-S83 PolarHBondContact O-N 3.47Å
82L46.5Very low47.6Very low165 Ų165138.4 Ų138.486%0.86479%0.787SS**  trans-63.1121.5175.4-60.5169.4000110.8
83S39.9Very low48.5Very low110 Ų110142.4 Ų142.477%0.76979%0.792SS**  trans-137.9121.4157.8-172.50000109.6S81 G85S81-S83 PolarHBondContact O-N 3.47Å; S83-G85 PolarHBondContact O-N 2.98Å
84P53Low49.9Very low137 Ų137144.1 Ų144.189%0.8980%0.797SS**  trans-89.491.1179.633.5-27.7000109.5
85G37.9Very low51.4Low65 Ų65147.8 Ų147.867%0.6780%0.797SS**  trans-126.195.8-17900000112.4S83S83-G85 PolarHBondContact O-N 2.98Å
86Q45.7Very low53.2Low195 Ų195154.3 Ų154.391%0.91180%0.801SS**  trans19.4119.1152.9-67.1176.80.200119.2
87G48.3Very low54.7Low75 Ų75157 Ų15777%0.77380%0.799SS**  78.464119.800000117.5
88L48.1Very low56.3Low127 Ų127153.1 Ų153.167%0.66579%0.793SS**  trans-159.767.8148.6-152.257.4000111.6K90L88-K90 HydrophobicContact CB-CG 4.49Å; L88-K90 HydrophobicContact CD2-CD 4.29Å; L88-K90 HydrophobicContact CD2-CG 4.03Å; L88-K90 HydrophobicContact CG-CD 4.45Å; L88-K90 HydrophobicContact CG-CG 3.68Å; L88-K90 PolarHBondContact O-N 3.37Å
89L52.2Low58.5Low172 Ų172156.3 Ų156.390%0.90179%0.793SS**  trans-72.379.3162.7-56-148.7000106.7R91L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 2.78Å
90K54.7Low60.5Low162 Ų162152.8 Ų152.870%0.70477%0.772SS**  trans-49.4101.2169.1-62.6177.7-175.6175.50105.1L88 K92L88-K90 HydrophobicContact CB-CG 4.49Å; L88-K90 HydrophobicContact CD2-CD 4.29Å; L88-K90 HydrophobicContact CD2-CG 4.03Å; L88-K90 HydrophobicContact CG-CD 4.45Å; L88-K90 HydrophobicContact CG-CG 3.68Å; L88-K90 PolarHBondContact O-N 3.37Å; K90-K92 PolarHBondContact O-N 2.89Å
91R58.1Low62.8Low162 Ų162152.2 Ų152.261%0.61177%0.773SS**  trans-54.394.2163.1-69.8-177.778.3154.31.8104.7L89 K93L89-R91 VanDerWaalsContact C-N 3.31Å; L89-R91 PolarHBondContact O-N 2.78Å; R91-K93 PolarHBondContact O-N 3.11Å
92K60Low65.3Low201 Ų201149.6 Ų149.687%0.87475%0.748SS**  trans-71.475.4-175.3-160.1167176170.50105.8K90 K94K90-K92 PolarHBondContact O-N 2.89Å; K92-K94 PolarHBondContact O-N 3.35Å
93K64Low67.7Low180 Ų180146.5 Ų146.578%0.78373%0.732SS**  trans-48.7110.8169.4-109.9164.3174.1157.10104.5R91 Q95R91-K93 PolarHBondContact O-N 3.11Å; K93-Q95 PolarHBondContact O-N 3.5Å
94K68.1Low70.4Confident202 Ų202145.3 Ų145.388%0.87872%0.724SS**  trans-53.2103.9-172.3-166141.5-179.7168.40107.8K92 R96K92-K94 PolarHBondContact O-N 3.35Å; K94-R96 PolarHBondContact O-N 3.14Å
95Q75.2Confident72.4Confident178 Ų178142.5 Ų142.583%0.83271%0.707SS**PPolyproline II helixtrans-53.5118.2179.2-16997.115.400106.3K93 R97K93-Q95 PolarHBondContact O-N 3.5Å; Q95-R97 PolarHBondContact O-N 3.33Å
96R80.9Confident75.2Confident230 Ų230140.7 Ų140.787%0.86868%0.681SS**PPolyproline II helixtrans-56133174-89.2175.574.4-170.55.4107.4K94 S98K94-R96 PolarHBondContact O-N 3.14Å; R96-S98 PolarHBondContact O-N 3.07Å
97R80.5Confident77.7Confident228 Ų228134.7 Ų134.786%0.8666%0.655SS**PPolyproline II helixtrans-54.4129177.5-146.1-177.8-68.1-133.64.7108Q95 R99Q95-R97 PolarHBondContact O-N 3.33Å; R97-R99 PolarHBondContact O-N 3.32Å
98S85.4Confident80Confident105 Ų105136.1 Ų136.173%0.73464%0.642SS**PPolyproline II helixtrans-52.2138.6-178.6-58.50000110.6R96R96-S98 PolarHBondContact O-N 3.07Å
99R91.4Very high82.2Confident225 Ų225130.5 Ų130.585%0.84961%0.614SS**PPolyproline II helixtrans-74.4136.6179.5-172.2174.4-173.9142.11.7109R97R97-R99 PolarHBondContact O-N 3.32Å
100T92.1Very high84.4Confident46 Ų46122.3 Ų122.328%0.28257%0.571SS.*PPolyproline II helixtrans-78.1129.8173.3-51.10000109.7F102 L134 R138T100-F102 HydrophobicContact CG2-CD1 4.3Å; T100-F102 HydrophobicContact CG2-CE1 3.89Å; T100-F102 HydrophobicContact CG2-CZ 4.27Å; T100-L134 HydrophobicContact CG2-CD2 4.2Å; T100-R138 HydrophobicContact CG2-CG 4.48Å; T100-R138 WeakPolarHBondContact OG1-CD 3.44Å; T100-R138 PolarHBondContact OG1-NH1 3.35Å
101T94.8Very high86.4Confident119 Ų119116.8 Ų116.873%0.7355%0.547SS*.PPolyproline II helixtrans-102.2134.2167.849.30000108.4
102F95.1Very high88.2Confident58 Ų58112.2 Ų112.225%0.25453%0.53SS..PPolyproline II helixtrans-99.1138.6-179.8-56.8-71.7000110T100 L107 L134 R138 W142T100-F102 HydrophobicContact CG2-CD1 4.3Å; T100-F102 HydrophobicContact CG2-CE1 3.89Å; T100-F102 HydrophobicContact CG2-CZ 4.27Å; F102-L107 HydrophobicContact CB-CD1 4.46Å; F102-L107 HydrophobicContact CB-CD2 3.68Å; F102-L107 HydrophobicContact CB-CG 3.83Å; F102-L107 HydrophobicContact CD2-CD2 4.19Å; F102-L107 HydrophobicContact CG-CD2 4.14Å; F102-L134 HydrophobicContact CD1-CD1 3.64Å; F102-L134 HydrophobicContact CD1-CD2 4.19Å; F102-L134 HydrophobicContact CE1-CD1 3.51Å; F102-L134 HydrophobicContact CE1-CD2 4.14Å; F102-L134 HydrophobicContact CE1-CG 4.48Å; F102-R138 HydrophobicContact CE1-CB 4.46Å; F102-W142 AromaticContact CD2-CD1 3.88Å; F102-W142 AromaticContact CE2-CD1 3.6Å; F102-W142 HydrophobicContact CE2-CG 4.49Å; F102-W142 HydrophobicContact CZ-CB 4.3Å; F102-W142 AromaticContact CZ-CD1 3.98Å
103N97Very high89.9Confident100 Ų100102.6 Ų102.654%0.53549%0.488SS..PPolyproline II helixtrans-75.9162172.4-63.9-3000110.3S105 Q106 L107N103-S105 PolarHBondContact O-N 2.92Å; N103-Q106 HydrophobicContact CB-CG 4.18Å; N103-Q106 WeakPolarHBondContact O-CB 3.5Å; N103-Q106 PolarHBondContact O-N 3.3Å; N103-L107 WeakPolarHBondContact O-CG 3.4Å; N103-L107 PolarHBondContact O-N 3.19Å
104S96.1Very high91.4Very high85 Ų8594.3 Ų94.359%0.59445%0.452SS*.Hα-helixtrans-58.1-46.9-178.9-168.40000112.6Q106 L107 Q108S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.48Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.14Å; S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 2.73Å
105S95.1Very high92.8Very high77 Ų7791.4 Ų91.454%0.53844%0.442SS..Hα-helixtrans-60.6-37.8178.356.60000113.1N103 Q108 A109N103-S105 PolarHBondContact O-N 2.92Å; S105-Q108 PolarHBondContact O-N 2.91Å; S105-A109 PolarHBondContact O-N 2.94Å
106Q97.1Very high93.6Very high27 Ų2788.1 Ų88.113%0.12642%0.422CS..Hα-helixtrans-65.5-43.6176.2-61.1176.1-37.900110.7N103 S104 A109 L110 V132N103-Q106 HydrophobicContact CB-CG 4.18Å; N103-Q106 WeakPolarHBondContact O-CB 3.5Å; N103-Q106 PolarHBondContact O-N 3.3Å; S104-Q106 VanDerWaalsContact C-N 3.31Å; S104-Q106 PolarHBondContact O-N 3.48Å; Q106-A109 PolarHBondContact O-N 3.48Å; Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CD1 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.02Å; Q106-V132 HydrophobicContact CB-CB 4.35Å; Q106-V132 HydrophobicContact CG-CB 4.15Å; Q106-V132 PolarHBondContact NE2-O 3.14Å
107L97.8Very high94.3Very high69 Ų6978.8 Ų78.836%0.36139%0.39SS..Hα-helixtrans-63.2-42.5176.6-68.1174.9000111.8F102 N103 S104 L110 E111 W142F102-L107 HydrophobicContact CB-CD1 4.46Å; F102-L107 HydrophobicContact CB-CD2 3.68Å; F102-L107 HydrophobicContact CB-CG 3.83Å; F102-L107 HydrophobicContact CD2-CD2 4.19Å; F102-L107 HydrophobicContact CG-CD2 4.14Å; N103-L107 WeakPolarHBondContact O-CG 3.4Å; N103-L107 PolarHBondContact O-N 3.19Å; S104-L107 WeakPolarHBondContact O-CB 3.4Å; S104-L107 PolarHBondContact O-N 3.39Å; S104-L107 VanDerWaalsContact O-N 3.14Å; L107-L110 PolarHBondContact O-N 3.14Å; L107-E111 WeakPolarHBondContact O-CB 3.34Å; L107-E111 PolarHBondContact O-N 3.49Å; L107-W142 VanDerWaalsContact CD2-NE1 3.31Å
108Q96.4Very high95.1Very high106 Ų10671 Ų7150%0.49536%0.364SS..Hα-helixtrans-60.2-47.1176.4-73.6175-24.300111.7S104 S105 L110 E111 R112S104-Q108 WeakPolarHBondContact O-CG 3.41Å; S104-Q108 PolarHBondContact O-N 2.73Å; S105-Q108 PolarHBondContact O-N 2.91Å; Q108-L110 PolarHBondContact O-N 2.91Å; Q108-E111 PolarHBondContact O-N 3.04Å; Q108-R112 WeakPolarHBondContact O-CG 3.44Å; Q108-R112 PolarHBondContact O-N 3.04Å
109A94.9Very high95.6Very high9 Ų973.3 Ų73.37%0.07436%0.357CS..Hα-helixtrans-61.5-43.1176.800000112.7L37 S105 Q106 E111 V113 V132L37-A109 HydrophobicContact CD2-CB 3.85Å; S105-A109 PolarHBondContact O-N 2.94Å; Q106-A109 PolarHBondContact O-N 3.48Å; A109-E111 VanDerWaalsContact C-N 3.34Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.27Å; A109-V113 PolarHBondContact O-N 3.22Å; A109-V132 HydrophobicContact CB-CG1 3.69Å
110L97.4Very high95.8Very high0 Ų062.9 Ų62.90%032%0.319CS..Hα-helixtrans-63.2-39.9176-70.8163.5000111.9Q106 L107 Q108 V113 F114 L128 V139 W142 F143Q106-L110 WeakPolarHBondContact O-CB 3.43Å; Q106-L110 WeakPolarHBondContact O-CD1 3.29Å; Q106-L110 WeakPolarHBondContact O-CG 3.48Å; Q106-L110 PolarHBondContact O-N 3.02Å; L107-L110 PolarHBondContact O-N 3.14Å; Q108-L110 PolarHBondContact O-N 2.91Å; L110-V113 PolarHBondContact O-N 3.25Å; L110-F114 WeakPolarHBondContact O-CB 3.45Å; L110-F114 PolarHBondContact O-N 3.05Å; L110-L128 HydrophobicContact CD2-CD2 3.79Å; L110-L128 HydrophobicContact CD2-CG 4.32Å; L110-V139 HydrophobicContact CD2-CG1 3.97Å; L110-V139 HydrophobicContact CD2-CG2 4.3Å; L110-W142 HydrophobicContact CB-CD2 4.01Å; L110-W142 HydrophobicContact CB-CE3 3.91Å; L110-W142 HydrophobicContact CB-CH2 3.64Å; L110-W142 HydrophobicContact CB-CZ2 3.7Å; L110-W142 HydrophobicContact CB-CZ3 3.74Å; L110-W142 HydrophobicContact CD1-CD2 3.87Å; L110-W142 HydrophobicContact CD1-CE3 4.45Å; L110-W142 HydrophobicContact CD1-CG 3.9Å; L110-W142 HydrophobicContact CD2-CD2 4.36Å; L110-W142 HydrophobicContact CD2-CE3 4.19Å; L110-W142 HydrophobicContact CG-CD2 4.32Å; L110-W142 HydrophobicContact CG-CE3 4.42Å; L110-F143 HydrophobicContact CD2-CE2 3.89Å
111E97.8Very high96Very high46 Ų4666 Ų6622%0.21533%0.334CS..Hα-helixtrans-70.3-43.1179.2-161.764.9-147.100112.2L107 Q108 A109 V113 F114 E115 W142 R146L107-E111 WeakPolarHBondContact O-CB 3.34Å; L107-E111 PolarHBondContact O-N 3.49Å; Q108-E111 PolarHBondContact O-N 3.04Å; A109-E111 VanDerWaalsContact C-N 3.34Å; E111-V113 PolarHBondContact O-N 2.89Å; E111-F114 CarbonylContact O-C 3.6Å; E111-F114 WeakPolarHBondContact O-CA 3.24Å; E111-F114 VanDerWaalsContact O-CB 3.3Å; E111-F114 WeakPolarHBondContact O-CB 3.36Å; E111-F114 PolarHBondContact O-N 3.2Å; E111-E115 WeakPolarHBondContact O-CG 3.36Å; E111-E115 PolarHBondContact O-N 3.43Å; E111-W142 WeakPolarHBondContact OE2-CH2 3.4Å; E111-R146 VanDerWaalsContact CD-NE 3.33Å; E111-R146 IonicContact OE1-CZ 3.44Å; E111-R146 IonicContact OE1-NE 2.8Å; E111-R146 PolarHBondContact OE1-NE 3.15Å; E111-R146 IonicContact OE1-NH2 3.55Å; E111-R146 PolarHBondContact OE1-NH2 3.39Å; E111-R146 IonicContact OE2-CZ 3.43Å; E111-R146 IonicContact OE2-NE 3.54Å; E111-R146 PolarHBondContact OE2-NE 3.36Å; E111-R146 IonicContact OE2-NH2 2.73Å
112R94.8Very high96.1Very high65 Ų6562.1 Ų62.125%0.24531%0.314CS..Hα-helixtrans-56.6-36.8174.6-74.3-162.6-138.589.7-9.2112.7E40 Q108E40-R112 IonicContact OE2-CZ 3.37Å; E40-R112 IonicContact OE2-NE 3.58Å; E40-R112 IonicContact OE2-NH2 2.78Å; E40-R112 PolarHBondContact OE2-NH2 2.9Å; Q108-R112 WeakPolarHBondContact O-CG 3.44Å; Q108-R112 PolarHBondContact O-N 3.04Å
113V95.6Very high96.2Very high0 Ų066.5 Ų66.50%033%0.333CS..Hα-helixtrans-71.4-40.4175.3177.20000110.3L36 A109 L110 E111 E115 R116 T117 L128 F143L36-V113 HydrophobicContact CD2-CB 3.94Å; L36-V113 HydrophobicContact CD2-CG1 3.8Å; L36-V113 HydrophobicContact CD2-CG2 3.72Å; A109-V113 VanDerWaalsContact O-CG2 3.29Å; A109-V113 WeakPolarHBondContact O-CG2 3.27Å; A109-V113 PolarHBondContact O-N 3.22Å; L110-V113 PolarHBondContact O-N 3.25Å; E111-V113 PolarHBondContact O-N 2.89Å; V113-E115 PolarHBondContact O-N 3.26Å; V113-R116 PolarHBondContact O-N 3.1Å; V113-T117 PolarHBondContact O-N 3.45Å; V113-L128 HydrophobicContact CB-CD2 4.15Å; V113-L128 HydrophobicContact CG1-CD2 4.19Å; V113-L128 HydrophobicContact CG2-CD1 3.92Å; V113-L128 HydrophobicContact CG2-CD2 3.76Å; V113-L128 HydrophobicContact CG2-CG 4.48Å; V113-F143 HydrophobicContact CB-CZ 4.07Å; V113-F143 HydrophobicContact CG1-CE1 4.41Å; V113-F143 HydrophobicContact CG1-CZ 3.79Å
114F96.8Very high96.1Very high5 Ų562.2 Ų62.22%0.02231%0.31CS..Hα-helixtrans-60.7-43.3178.9-171.2-97.9000112.5L110 E111 R116 T117 H118 W142 F143 R146 R147 F150L110-F114 WeakPolarHBondContact O-CB 3.45Å; L110-F114 PolarHBondContact O-N 3.05Å; E111-F114 CarbonylContact O-C 3.6Å; E111-F114 WeakPolarHBondContact O-CA 3.24Å; E111-F114 VanDerWaalsContact O-CB 3.3Å; E111-F114 WeakPolarHBondContact O-CB 3.36Å; E111-F114 PolarHBondContact O-N 3.2Å; F114-R116 PolarHBondContact O-N 2.93Å; F114-R116 VanDerWaalsContact O-N 3.14Å; F114-T117 WeakPolarHBondContact CA-O 3.39Å; F114-T117 CarbonylContact O-C 3.22Å; F114-T117 PolarHBondContact O-N 2.92Å; F114-H118 AromaticContact CD1-CD2 3.55Å; F114-H118 AromaticContact CD1-NE2 3.82Å; F114-H118 AromaticContact CD2-CD2 3.84Å; F114-H118 AromaticContact CE1-CD2 3.18Å; F114-H118 WeakPolarHBondContact CE1-CD2 3.19Å; F114-H118 AromaticContact CE1-NE2 3.29Å; F114-H118 VanDerWaalsContact CE1-NE2 3.29Å; F114-H118 WeakPolarHBondContact CE1-NE2 3.49Å; F114-H118 HydrophobicContact CE2-CB 3.92Å; F114-H118 AromaticContact CE2-CD2 3.51Å; F114-H118 AromaticContact CE2-CG 3.91Å; F114-H118 AromaticContact CG-CD2 3.85Å; F114-H118 HydrophobicContact CZ-CB 4.17Å; F114-H118 AromaticContact CZ-CD2 3.16Å; F114-H118 WeakPolarHBondContact CZ-CD2 3.44Å; F114-H118 AromaticContact CZ-CG 3.69Å; F114-H118 AromaticContact CZ-NE2 3.63Å; F114-H118 PolarHBondContact O-CD2 3.47Å; F114-W142 HydrophobicContact CB-CH2 4.42Å; F114-W142 HydrophobicContact CB-CZ3 4.31Å; F114-W142 HydrophobicContact CD2-CZ3 4.44Å; F114-F143 HydrophobicContact CB-CE1 4.03Å; F114-F143 AromaticContact CD2-CD1 3.77Å; F114-F143 HydrophobicContact CD2-CD1 3.77Å; F114-F143 AromaticContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CE2-CD1 4.46Å; F114-F143 HydrophobicContact CG-CE1 4.41Å; F114-R146 HydrophobicContact CD1-CG 3.96Å; F114-R146 HydrophobicContact CD2-CB 4.25Å; F114-R146 HydrophobicContact CD2-CG 3.63Å; F114-R146 HydrophobicContact CE1-CG 3.86Å; F114-R146 HydrophobicContact CE2-CB 4.02Å; F114-R146 HydrophobicContact CE2-CG 3.52Å; F114-R146 HydrophobicContact CG-CG 3.86Å; F114-R146 HydrophobicContact CZ-CB 4.45Å; F114-R146 HydrophobicContact CZ-CG 3.64Å; F114-R147 HydrophobicContact CE2-CG 3.82Å; F114-R147 HydrophobicContact CZ-CG 4.32Å; F114-F150 HydrophobicContact CE1-CD2 4.46Å; F114-F150 HydrophobicContact CZ-CB 4.42Å
115E96.1Very high96.1Very high141 Ų14160.4 Ų60.466%0.65929%0.291SS*.Hα-helixtrans-55.6-30.8176.5-71.9170.7175.800113E111 V113E111-E115 WeakPolarHBondContact O-CG 3.36Å; E111-E115 PolarHBondContact O-N 3.43Å; V113-E115 PolarHBondContact O-N 3.26Å
116R93Very high96.2Very high109 Ų10962.2 Ų62.241%0.41129%0.29SS..Hα-helixtrans-89.7-40.9178.1-72.5170.2159.7122-5.2113.2L36 V113 F114L36-R116 PolarHBondContact O-NH1 3.11Å; V113-R116 PolarHBondContact O-N 3.1Å; F114-R116 PolarHBondContact O-N 2.93Å; F114-R116 VanDerWaalsContact O-N 3.14Å
117T95Very high96.1Very high34 Ų3463.1 Ų63.121%0.20930%0.295CS..  trans-145.4127.9172.7-1730000111.9F31 V113 F114 Y119 P120F31-T117 HydrophobicContact CE1-CG2 4.17Å; F31-T117 HydrophobicContact CE2-CG2 4.4Å; F31-T117 HydrophobicContact CZ-CG2 3.47Å; F31-T117 VanDerWaalsContact CZ-CG2 3.47Å; V113-T117 PolarHBondContact O-N 3.45Å; F114-T117 WeakPolarHBondContact CA-O 3.39Å; F114-T117 CarbonylContact O-C 3.22Å; F114-T117 PolarHBondContact O-N 2.92Å; T117-Y119 PolarHBondContact O-N 2.76Å; T117-Y119 PolarHBondContact OG1-N 2.95Å; T117-Y119 PolarHBondContact OG1-O 2.76Å; T117-P120 HydrophobicContact CG2-CB 3.97Å
118H96.7Very high96.1Very high65 Ų6559.8 Ų59.830%0.30128%0.277SS..SBendtrans-74.1-17.5171.6-61.1158.6000112.5F114 R147F114-H118 AromaticContact CD1-CD2 3.55Å; F114-H118 AromaticContact CD1-NE2 3.82Å; F114-H118 AromaticContact CD2-CD2 3.84Å; F114-H118 AromaticContact CE1-CD2 3.18Å; F114-H118 WeakPolarHBondContact CE1-CD2 3.19Å; F114-H118 AromaticContact CE1-NE2 3.29Å; F114-H118 VanDerWaalsContact CE1-NE2 3.29Å; F114-H118 WeakPolarHBondContact CE1-NE2 3.49Å; F114-H118 HydrophobicContact CE2-CB 3.92Å; F114-H118 AromaticContact CE2-CD2 3.51Å; F114-H118 AromaticContact CE2-CG 3.91Å; F114-H118 AromaticContact CG-CD2 3.85Å; F114-H118 HydrophobicContact CZ-CB 4.17Å; F114-H118 AromaticContact CZ-CD2 3.16Å; F114-H118 WeakPolarHBondContact CZ-CD2 3.44Å; F114-H118 AromaticContact CZ-CG 3.69Å; F114-H118 AromaticContact CZ-NE2 3.63Å; F114-H118 PolarHBondContact O-CD2 3.47Å; H118-R147 HydrophobicContact CB-CG 4.31Å; H118-R147 VanDerWaalsContact O-CD 3.28Å; H118-R147 WeakPolarHBondContact O-CD 3.06Å; H118-R147 PolarHBondContact O-NH1 3.41Å
119Y97.3Very high96.1Very high153 Ų15355 Ų5560%0.626%0.255SS*.SBendtrans-129.271.6-174.7-64.5-92.9000110.8T117 R147T117-Y119 PolarHBondContact O-N 2.76Å; T117-Y119 PolarHBondContact OG1-N 2.95Å; T117-Y119 PolarHBondContact OG1-O 2.76Å; Y119-R147 VanDerWaalsContact CE1-CD 3.42Å; Y119-R147 VanDerWaalsContact CE1-NE 3.3Å
120P95.3Very high96.2Very high6 Ų662 Ų624%0.03928%0.28CS..  trans-67.4139.9176.828.6-35.6000111.1T117 V124 R125 F143T117-P120 HydrophobicContact CG2-CB 3.97Å; P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 3.93Å; P120-R125 HydrophobicContact CB-CG 4.02Å; P120-R125 HydrophobicContact CG-CG 3.8Å; P120-R125 PolarHBondContact O-NH1 3.43Å; P120-F143 HydrophobicContact CG-CD1 3.66Å; P120-F143 HydrophobicContact CG-CD2 4.06Å; P120-F143 HydrophobicContact CG-CE1 3.59Å; P120-F143 HydrophobicContact CG-CE2 4.01Å; P120-F143 HydrophobicContact CG-CG 3.92Å; P120-F143 HydrophobicContact CG-CZ 3.79Å
121D96.9Very high96Very high112 Ų11265.5 Ų65.560%0.59929%0.293SS*.  trans-68.7163.3177.1-169.619.1000112.5F123 V124 R125D121-F123 PolarHBondContact O-N 3.05Å; D121-V124 HydrophobicContact CB-CG2 4.37Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.43Å; D121-V124 VanDerWaalsContact O-N 3.14Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.35Å
122A96.4Very high95.9Very high38 Ų3863.9 Ų63.931%0.31429%0.287SS..Hα-helixtrans-51.5-51.2-178.900000112.2V124 R125 E126A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.87Å; A122-R125 PolarHBondContact O-N 3.06Å; A122-R125 VanDerWaalsContact O-N 3.11Å; A122-E126 WeakPolarHBondContact O-CG 3.46Å; A122-E126 PolarHBondContact O-N 3.07Å
123F95.7Very high96Very high149 Ų14967.6 Ų67.665%0.65431%0.311SS*.Hα-helixtrans-58.8-42178.6179.6-102.9000112.8D121 R125 E126 E127D121-F123 PolarHBondContact O-N 3.05Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.26Å; F123-E126 PolarHBondContact O-N 3.47Å; F123-E127 PolarHBondContact O-N 3.41Å
124V95.1Very high96Very high10 Ų1069 Ų696%0.06132%0.319CS..Hα-helixtrans-66.3-38.5178.6178.80000110.6F31 V33 P120 D121 A122 L128F31-V124 HydrophobicContact CD1-CG2 3.94Å; F31-V124 HydrophobicContact CE1-CB 4.49Å; F31-V124 HydrophobicContact CE1-CG1 3.97Å; F31-V124 HydrophobicContact CE1-CG2 3.82Å; V33-V124 HydrophobicContact CG2-CB 4.42Å; V33-V124 HydrophobicContact CG2-CG1 3.74Å; V33-V124 WeakPolarHBondContact CG2-O 3.2Å; P120-V124 HydrophobicContact CB-CB 4.27Å; P120-V124 HydrophobicContact CB-CG1 3.93Å; D121-V124 HydrophobicContact CB-CG2 4.37Å; D121-V124 WeakPolarHBondContact O-CB 3.3Å; D121-V124 PolarHBondContact O-N 3.43Å; D121-V124 VanDerWaalsContact O-N 3.14Å; A122-V124 VanDerWaalsContact C-N 3.31Å; A122-V124 PolarHBondContact O-N 2.87Å; V124-L128 VanDerWaalsContact O-CB 3.27Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 PolarHBondContact O-N 2.78Å
125R97.7Very high96Very high48 Ų4872 Ų7218%0.18134%0.34CS..Hα-helixtrans-68-38.7175.9-66.8-167.8-50.7-88.2-1.2112P120 D121 A122 F123 A129 E136 V139P120-R125 HydrophobicContact CB-CG 4.02Å; P120-R125 HydrophobicContact CG-CG 3.8Å; P120-R125 PolarHBondContact O-NH1 3.43Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 3.35Å; A122-R125 PolarHBondContact O-N 3.06Å; A122-R125 VanDerWaalsContact O-N 3.11Å; F123-R125 VanDerWaalsContact C-N 3.34Å; F123-R125 PolarHBondContact O-N 3.26Å; R125-A129 VanDerWaalsContact O-CB 3.24Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.38Å; R125-E136 HydrophobicContact CB-CG 4.05Å; R125-E136 IonicContact CZ-OE1 2.89Å; R125-E136 VanDerWaalsContact CZ-OE1 3.31Å; R125-E136 IonicContact NE-OE1 3.74Å; R125-E136 PolarHBondContact NE-OE1 3.01Å; R125-E136 IonicContact NH2-OE1 3.68Å; R125-E136 PolarHBondContact NH2-OE1 3.22Å; R125-V139 HydrophobicContact CB-CG1 4.23Å; R125-V139 HydrophobicContact CG-CG1 4.27Å
126E97.4Very high96.1Very high114 Ų11467.6 Ų67.653%0.53332%0.32SS..Hα-helixtrans-62.8-49.7177.1-74.2175.3-173.500111.8A122 F123 L128 A129 R130 E136A122-E126 WeakPolarHBondContact O-CG 3.46Å; A122-E126 PolarHBondContact O-N 3.07Å; F123-E126 PolarHBondContact O-N 3.47Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.12Å; E126-A129 WeakPolarHBondContact O-CB 3.29Å; E126-A129 PolarHBondContact O-N 2.91Å; E126-R130 PolarHBondContact O-N 3.22Å; E126-E136 HydrophobicContact CG-CB 4.34Å; E126-E136 HydrophobicContact CG-CG 3.88Å
127E95.1Very high96.3Very high46 Ų4664.4 Ų64.422%0.21532%0.317CS..Hα-helixtrans-65.7-38.5178.3174.958.6-164.500111.8V33 F123 A129 R130 R131V33-E127 HydrophobicContact CB-CB 4.28Å; V33-E127 HydrophobicContact CB-CG 3.64Å; V33-E127 HydrophobicContact CG1-CG 4.22Å; V33-E127 HydrophobicContact CG2-CB 3.91Å; V33-E127 HydrophobicContact CG2-CG 3.84Å; F123-E127 PolarHBondContact O-N 3.41Å; E127-A129 PolarHBondContact O-N 2.8Å; E127-R130 PolarHBondContact O-N 3.47Å; E127-R130 IonicContact OE1-CZ 2.65Å; E127-R130 IonicContact OE1-NE 2.99Å; E127-R130 IonicContact OE1-NH2 2.98Å; E127-R130 PolarHBondContact OE1-NH2 2.87Å; E127-R130 IonicContact OE2-CZ 2.76Å; E127-R130 IonicContact OE2-NE 3.22Å; E127-R130 PolarHBondContact OE2-NE 2.99Å; E127-R130 IonicContact OE2-NH2 3.82Å; E127-R130 PolarHBondContact OE2-NH2 3.18Å; E127-R131 WeakPolarHBondContact O-CG 3.16Å; E127-R131 PolarHBondContact O-N 2.65Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 3.69Å; E127-R131 PolarHBondContact OE1-NE 3.23Å; E127-R131 IonicContact OE1-NH2 3.98Å
128L95.9Very high96.4Very high0 Ų066.6 Ų66.60%032%0.321CS..Hα-helixtrans-62.3-44.5174.4-175.458.7000111.4V33 L37 L110 V113 V124 E126 R130 R131 V132 V139 F143V33-L128 HydrophobicContact CG1-CB 4.16Å; V33-L128 HydrophobicContact CG1-CD1 4Å; L37-L128 HydrophobicContact CD1-CD1 4.22Å; L110-L128 HydrophobicContact CD2-CD2 3.79Å; L110-L128 HydrophobicContact CD2-CG 4.32Å; V113-L128 HydrophobicContact CB-CD2 4.15Å; V113-L128 HydrophobicContact CG1-CD2 4.19Å; V113-L128 HydrophobicContact CG2-CD1 3.92Å; V113-L128 HydrophobicContact CG2-CD2 3.76Å; V113-L128 HydrophobicContact CG2-CG 4.48Å; V124-L128 VanDerWaalsContact O-CB 3.27Å; V124-L128 WeakPolarHBondContact O-CB 3.4Å; V124-L128 PolarHBondContact O-N 2.78Å; E126-L128 VanDerWaalsContact C-N 3.35Å; E126-L128 PolarHBondContact O-N 3.12Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.18Å; L128-R131 PolarHBondContact O-N 2.78Å; L128-R131 VanDerWaalsContact O-N 3.15Å; L128-V132 HydrophobicContact CD1-CG1 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.02Å; L128-V139 HydrophobicContact CD2-CG1 4.1Å; L128-F143 HydrophobicContact CD2-CE2 3.93Å; L128-F143 HydrophobicContact CD2-CZ 4.3Å
129A97.3Very high96.5Very high4 Ų463.5 Ų63.53%0.03331%0.307CS..Hα-helixtrans-58.1-42.7177.900000111.8R125 E126 E127 N133 L134 E136 V139R125-A129 VanDerWaalsContact O-CB 3.24Å; R125-A129 WeakPolarHBondContact O-CB 3.34Å; R125-A129 PolarHBondContact O-N 3.38Å; E126-A129 WeakPolarHBondContact O-CB 3.29Å; E126-A129 PolarHBondContact O-N 2.91Å; E127-A129 PolarHBondContact O-N 2.8Å; A129-N133 PolarHBondContact O-N 2.93Å; A129-L134 CarbonylContact C-O 3.48Å; A129-L134 WeakPolarHBondContact CB-O 3.18Å; A129-L134 PolarHBondContact O-N 2.99Å; A129-L134 VanDerWaalsContact O-O 3.11Å; A129-E136 HydrophobicContact CB-CB 4.44Å; A129-V139 HydrophobicContact CB-CG2 3.77Å
130R96.8Very high96.5Very high158 Ų15859.9 Ų59.960%0.59630%0.296SS*.Hα-helixtrans-59.9-45.8174.9-167-173.868.880.62.9111.7E126 E127 L128 N133E126-R130 PolarHBondContact O-N 3.22Å; E127-R130 PolarHBondContact O-N 3.47Å; E127-R130 IonicContact OE1-CZ 2.65Å; E127-R130 IonicContact OE1-NE 2.99Å; E127-R130 IonicContact OE1-NH2 2.98Å; E127-R130 PolarHBondContact OE1-NH2 2.87Å; E127-R130 IonicContact OE2-CZ 2.76Å; E127-R130 IonicContact OE2-NE 3.22Å; E127-R130 PolarHBondContact OE2-NE 2.99Å; E127-R130 IonicContact OE2-NH2 3.82Å; E127-R130 PolarHBondContact OE2-NH2 3.18Å; L128-R130 VanDerWaalsContact C-N 3.3Å; L128-R130 PolarHBondContact O-N 3.18Å; R130-N133 PolarHBondContact O-N 2.8Å
131R93.7Very high96.6Very high73 Ų7362.5 Ų62.528%0.27531%0.311SS..Hα-helixtrans-67.7-36.6-178.4-72.9-175.7176.6-129-12.5114.8S34 L37 D38 E127 L128S34-R131 VanDerWaalsContact CA-CZ 3.44Å; S34-R131 VanDerWaalsContact CA-NH1 3.34Å; S34-R131 PolarHBondContact OG-NH2 3.13Å; L37-R131 HydrophobicContact CD1-CB 4.42Å; L37-R131 VanDerWaalsContact CD1-CD 3.41Å; D38-R131 IonicContact OD1-NH1 2.95Å; E127-R131 WeakPolarHBondContact O-CG 3.16Å; E127-R131 PolarHBondContact O-N 2.65Å; E127-R131 VanDerWaalsContact O-N 3.11Å; E127-R131 IonicContact OE1-CZ 3.78Å; E127-R131 IonicContact OE1-NE 3.69Å; E127-R131 PolarHBondContact OE1-NE 3.23Å; E127-R131 IonicContact OE1-NH2 3.98Å; L128-R131 PolarHBondContact O-N 2.78Å; L128-R131 VanDerWaalsContact O-N 3.15Å
132V95.2Very high96.7Very high12 Ų1258.4 Ų58.47%0.07329%0.287CS..THydrogen-bonded Turntrans-95.37.7179.2-56.70000113.1Q106 A109 L128 L134Q106-V132 HydrophobicContact CB-CB 4.35Å; Q106-V132 HydrophobicContact CG-CB 4.15Å; Q106-V132 PolarHBondContact NE2-O 3.14Å; A109-V132 HydrophobicContact CB-CG1 3.69Å; L128-V132 HydrophobicContact CD1-CG1 4.22Å; L128-V132 WeakPolarHBondContact O-CG2 3.4Å; L128-V132 PolarHBondContact O-N 3.02Å; V132-L134 HydrophobicContact CG2-CB 4.1Å; V132-L134 HydrophobicContact CG2-CD1 3.56Å; V132-L134 HydrophobicContact CG2-CG 3.79Å; V132-L134 PolarHBondContact O-N 3.34Å
133N96.9Very high96.8Very high142 Ų14256.7 Ų56.776%0.75927%0.273SS*.THydrogen-bonded Turntrans53.848.7-178.3-58.293.5000113.6A129 R130A129-N133 PolarHBondContact O-N 2.93Å; R130-N133 PolarHBondContact O-N 2.8Å
134L96.1Very high96.9Very high31 Ų3153.6 Ų53.616%0.16226%0.26CS..  trans-122.4169.5174.7-63.4174.7000110.3T100 F102 A129 V132 R138 V139T100-L134 HydrophobicContact CG2-CD2 4.2Å; F102-L134 HydrophobicContact CD1-CD1 3.64Å; F102-L134 HydrophobicContact CD1-CD2 4.19Å; F102-L134 HydrophobicContact CE1-CD1 3.51Å; F102-L134 HydrophobicContact CE1-CD2 4.14Å; F102-L134 HydrophobicContact CE1-CG 4.48Å; A129-L134 CarbonylContact C-O 3.48Å; A129-L134 WeakPolarHBondContact CB-O 3.18Å; A129-L134 PolarHBondContact O-N 2.99Å; A129-L134 VanDerWaalsContact O-O 3.11Å; V132-L134 HydrophobicContact CG2-CB 4.1Å; V132-L134 HydrophobicContact CG2-CD1 3.56Å; V132-L134 HydrophobicContact CG2-CG 3.79Å; V132-L134 PolarHBondContact O-N 3.34Å; L134-R138 HydrophobicContact CB-CB 4.39Å; L134-V139 HydrophobicContact CB-CG2 4.36Å; L134-V139 HydrophobicContact CD1-CG2 4.46Å
135S97.6Very high97.1Very high68 Ų6857.9 Ų57.948%0.47628%0.283SS..  trans-83.8149.2165.672.90000111.3A137 R138 V139S135-A137 PolarHBondContact O-N 3.1Å; S135-R138 WeakPolarHBondContact O-CA 3.36Å; S135-R138 WeakPolarHBondContact O-CB 3.43Å; S135-R138 PolarHBondContact O-N 3.2Å; S135-R138 WeakPolarHBondContact OG-CG 3.38Å; S135-V139 PolarHBondContact O-N 2.94Å
136E97.6Very high97.1Very high47 Ų4758.6 Ų58.622%0.2229%0.286CS..Hα-helixtrans-49.8-43.6176.4-174.8-76.8158.900110.9R125 E126 A129 R138 V139 Q140R125-E136 HydrophobicContact CB-CG 4.05Å; R125-E136 IonicContact CZ-OE1 2.89Å; R125-E136 VanDerWaalsContact CZ-OE1 3.31Å; R125-E136 IonicContact NE-OE1 3.74Å; R125-E136 PolarHBondContact NE-OE1 3.01Å; R125-E136 IonicContact NH2-OE1 3.68Å; R125-E136 PolarHBondContact NH2-OE1 3.22Å; E126-E136 HydrophobicContact CG-CB 4.34Å; E126-E136 HydrophobicContact CG-CG 3.88Å; A129-E136 HydrophobicContact CB-CB 4.44Å; E136-R138 PolarHBondContact O-N 3.16Å; E136-V139 CarbonylContact O-C 3.55Å; E136-V139 WeakPolarHBondContact O-CA 3.34Å; E136-V139 WeakPolarHBondContact O-CB 3.47Å; E136-V139 PolarHBondContact O-N 3.2Å; E136-Q140 PolarHBondContact O-N 3.44Å
137A97.1Very high97.1Very high43 Ų4355.3 Ų55.336%0.35527%0.268SS..Hα-helixtrans-60.1-32.2178.600000113.2S135 V141S135-A137 PolarHBondContact O-N 3.1Å; A137-V141 WeakPolarHBondContact O-CB 3.31Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 2.87Å
138R97.7Very high97.2Very high79 Ų7954.7 Ų54.730%0.29827%0.271SS..Hα-helixtrans-70.2-42.8173.8-62.1-65.988.5151.76.2111T100 F102 L134 S135 E136 V141 W142T100-R138 HydrophobicContact CG2-CG 4.48Å; T100-R138 WeakPolarHBondContact OG1-CD 3.44Å; T100-R138 PolarHBondContact OG1-NH1 3.35Å; F102-R138 HydrophobicContact CE1-CB 4.46Å; L134-R138 HydrophobicContact CB-CB 4.39Å; S135-R138 WeakPolarHBondContact O-CA 3.36Å; S135-R138 WeakPolarHBondContact O-CB 3.43Å; S135-R138 PolarHBondContact O-N 3.2Å; S135-R138 WeakPolarHBondContact OG-CG 3.38Å; E136-R138 PolarHBondContact O-N 3.16Å; R138-V141 PolarHBondContact O-N 2.92Å; R138-W142 WeakPolarHBondContact O-CB 3.07Å; R138-W142 PolarHBondContact O-N 3.35Å
139V97.7Very high97.3Very high0 Ų061.3 Ų61.30%030%0.3CS..Hα-helixtrans-60.6-47.8174.8177.50000109.9L110 R125 L128 A129 L134 S135 E136 V141 W142 F143L110-V139 HydrophobicContact CD2-CG1 3.97Å; L110-V139 HydrophobicContact CD2-CG2 4.3Å; R125-V139 HydrophobicContact CB-CG1 4.23Å; R125-V139 HydrophobicContact CG-CG1 4.27Å; L128-V139 HydrophobicContact CD2-CG1 4.1Å; A129-V139 HydrophobicContact CB-CG2 3.77Å; L134-V139 HydrophobicContact CB-CG2 4.36Å; L134-V139 HydrophobicContact CD1-CG2 4.46Å; S135-V139 PolarHBondContact O-N 2.94Å; E136-V139 CarbonylContact O-C 3.55Å; E136-V139 WeakPolarHBondContact O-CA 3.34Å; E136-V139 WeakPolarHBondContact O-CB 3.47Å; E136-V139 PolarHBondContact O-N 3.2Å; V139-V141 PolarHBondContact O-N 3.4Å; V139-W142 WeakPolarHBondContact O-CB 3.4Å; V139-W142 PolarHBondContact O-N 3.41Å; V139-W142 VanDerWaalsContact O-N 3.12Å; V139-F143 HydrophobicContact CG1-CD2 3.74Å; V139-F143 HydrophobicContact CG1-CE2 3.77Å; V139-F143 WeakPolarHBondContact O-CD2 3.37Å; V139-F143 PolarHBondContact O-N 2.8Å
140Q97.9Very high97.2Very high78 Ų7864.5 Ų64.536%0.36431%0.313SS..Hα-helixtrans-56.5-47.5175.9-170.5-169-49.600112.1E136 W142 F143 Q144E136-Q140 PolarHBondContact O-N 3.44Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; Q140-F143 PolarHBondContact O-N 3.05Å; Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.28Å; Q140-Q144 PolarHBondContact O-N 3.17Å; Q140-Q144 PolarHBondContact O-NE2 3.39Å
141V98Very high97.1Very high60 Ų6062.3 Ų62.336%0.36431%0.305SS..Hα-helixtrans-64.7-38.7177.4170.40000111.3A137 R138 V139 Q144 N145A137-V141 WeakPolarHBondContact O-CB 3.31Å; A137-V141 VanDerWaalsContact O-CG2 3.23Å; A137-V141 WeakPolarHBondContact O-CG2 3.47Å; A137-V141 PolarHBondContact O-N 2.87Å; R138-V141 PolarHBondContact O-N 2.92Å; V139-V141 PolarHBondContact O-N 3.4Å; V141-Q144 PolarHBondContact O-N 3.25Å; V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 2.99Å; V141-N145 PolarHBondContact O-ND2 3.42Å
142W98.1Very high97Very high27 Ų2767.3 Ų67.310%0.10232%0.324CS..Hα-helixtrans-60.7-50176-173.299.7000111.2F102 L107 L110 E111 F114 R138 V139 Q140 Q144 N145 R146F102-W142 AromaticContact CD2-CD1 3.88Å; F102-W142 AromaticContact CE2-CD1 3.6Å; F102-W142 HydrophobicContact CE2-CG 4.49Å; F102-W142 HydrophobicContact CZ-CB 4.3Å; F102-W142 AromaticContact CZ-CD1 3.98Å; L107-W142 VanDerWaalsContact CD2-NE1 3.31Å; L110-W142 HydrophobicContact CB-CD2 4.01Å; L110-W142 HydrophobicContact CB-CE3 3.91Å; L110-W142 HydrophobicContact CB-CH2 3.64Å; L110-W142 HydrophobicContact CB-CZ2 3.7Å; L110-W142 HydrophobicContact CB-CZ3 3.74Å; L110-W142 HydrophobicContact CD1-CD2 3.87Å; L110-W142 HydrophobicContact CD1-CE3 4.45Å; L110-W142 HydrophobicContact CD1-CG 3.9Å; L110-W142 HydrophobicContact CD2-CD2 4.36Å; L110-W142 HydrophobicContact CD2-CE3 4.19Å; L110-W142 HydrophobicContact CG-CD2 4.32Å; L110-W142 HydrophobicContact CG-CE3 4.42Å; E111-W142 WeakPolarHBondContact OE2-CH2 3.4Å; F114-W142 HydrophobicContact CB-CH2 4.42Å; F114-W142 HydrophobicContact CB-CZ3 4.31Å; F114-W142 HydrophobicContact CD2-CZ3 4.44Å; R138-W142 WeakPolarHBondContact O-CB 3.07Å; R138-W142 PolarHBondContact O-N 3.35Å; V139-W142 WeakPolarHBondContact O-CB 3.4Å; V139-W142 PolarHBondContact O-N 3.41Å; V139-W142 VanDerWaalsContact O-N 3.12Å; Q140-W142 VanDerWaalsContact C-N 3.33Å; W142-Q144 VanDerWaalsContact C-N 3.34Å; W142-Q144 PolarHBondContact O-N 2.97Å; W142-N145 PolarHBondContact O-N 2.95Å; W142-N145 VanDerWaalsContact O-N 3.17Å; W142-R146 HydrophobicContact CE3-CB 4.1Å; W142-R146 HydrophobicContact CH2-CB 4.12Å; W142-R146 HydrophobicContact CH2-CG 3.78Å; W142-R146 HydrophobicContact CZ2-CG 4.42Å; W142-R146 HydrophobicContact CZ3-CB 3.86Å; W142-R146 HydrophobicContact CZ3-CG 3.89Å; W142-R146 WeakPolarHBondContact O-CB 3.47Å; W142-R146 PolarHBondContact O-N 3.29Å
143F98.5Very high96.8Very high2 Ų271.6 Ų71.61%0.00935%0.346CS..Hα-helixtrans-62.7-38.1178.4-88.8-89000112.5L110 V113 F114 P120 L128 V139 Q140 R146 R147L110-F143 HydrophobicContact CD2-CE2 3.89Å; V113-F143 HydrophobicContact CB-CZ 4.07Å; V113-F143 HydrophobicContact CG1-CE1 4.41Å; V113-F143 HydrophobicContact CG1-CZ 3.79Å; F114-F143 HydrophobicContact CB-CE1 4.03Å; F114-F143 AromaticContact CD2-CD1 3.77Å; F114-F143 HydrophobicContact CD2-CD1 3.77Å; F114-F143 AromaticContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CD2-CE1 3.76Å; F114-F143 HydrophobicContact CE2-CD1 4.46Å; F114-F143 HydrophobicContact CG-CE1 4.41Å; P120-F143 HydrophobicContact CG-CD1 3.66Å; P120-F143 HydrophobicContact CG-CD2 4.06Å; P120-F143 HydrophobicContact CG-CE1 3.59Å; P120-F143 HydrophobicContact CG-CE2 4.01Å; P120-F143 HydrophobicContact CG-CG 3.92Å; P120-F143 HydrophobicContact CG-CZ 3.79Å; L128-F143 HydrophobicContact CD2-CE2 3.93Å; L128-F143 HydrophobicContact CD2-CZ 4.3Å; V139-F143 HydrophobicContact CG1-CD2 3.74Å; V139-F143 HydrophobicContact CG1-CE2 3.77Å; V139-F143 WeakPolarHBondContact O-CD2 3.37Å; V139-F143 PolarHBondContact O-N 2.8Å; Q140-F143 PolarHBondContact O-N 3.05Å; F143-R146 PolarHBondContact O-N 3.43Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 WeakPolarHBondContact O-CG 3.47Å; F143-R147 PolarHBondContact O-N 2.87Å
144Q98.4Very high96.2Very high83 Ų8369.5 Ų69.539%0.38833%0.332SS..Hα-helixtrans-60.7-47.4173.2-75174.786.900112Q140 V141 W142 A148Q140-Q144 VanDerWaalsContact O-CG 3.31Å; Q140-Q144 WeakPolarHBondContact O-CG 3.28Å; Q140-Q144 PolarHBondContact O-N 3.17Å; Q140-Q144 PolarHBondContact O-NE2 3.39Å; V141-Q144 PolarHBondContact O-N 3.25Å; W142-Q144 VanDerWaalsContact C-N 3.34Å; W142-Q144 PolarHBondContact O-N 2.97Å; Q144-A148 WeakPolarHBondContact O-CB 3.39Å; Q144-A148 PolarHBondContact O-N 2.89Å
145N98Very high95.4Very high100 Ų10075.5 Ų75.554%0.53535%0.352SS..Hα-helixtrans-65.9-39.6178.1-72.6-28.6000111.8V141 W142 A148 K149V141-N145 WeakPolarHBondContact O-CB 3.48Å; V141-N145 VanDerWaalsContact O-CG 3.32Å; V141-N145 PolarHBondContact O-N 2.99Å; V141-N145 PolarHBondContact O-ND2 3.42Å; W142-N145 PolarHBondContact O-N 2.95Å; W142-N145 VanDerWaalsContact O-N 3.17Å; N145-A148 PolarHBondContact O-N 3.43Å; N145-K149 PolarHBondContact O-N 3.37Å
146R98.1Very high94.6Very high64 Ų6474.9 Ų74.924%0.24235%0.351CS..Hα-helixtrans-62.1-49.1177.7-171.967.5-175.4131.40.7110.9E111 F114 W142 F143 A148 K149 F150E111-R146 VanDerWaalsContact CD-NE 3.33Å; E111-R146 IonicContact OE1-CZ 3.44Å; E111-R146 IonicContact OE1-NE 2.8Å; E111-R146 PolarHBondContact OE1-NE 3.15Å; E111-R146 IonicContact OE1-NH2 3.55Å; E111-R146 PolarHBondContact OE1-NH2 3.39Å; E111-R146 IonicContact OE2-CZ 3.43Å; E111-R146 IonicContact OE2-NE 3.54Å; E111-R146 PolarHBondContact OE2-NE 3.36Å; E111-R146 IonicContact OE2-NH2 2.73Å; F114-R146 HydrophobicContact CD1-CG 3.96Å; F114-R146 HydrophobicContact CD2-CB 4.25Å; F114-R146 HydrophobicContact CD2-CG 3.63Å; F114-R146 HydrophobicContact CE1-CG 3.86Å; F114-R146 HydrophobicContact CE2-CB 4.02Å; F114-R146 HydrophobicContact CE2-CG 3.52Å; F114-R146 HydrophobicContact CG-CG 3.86Å; F114-R146 HydrophobicContact CZ-CB 4.45Å; F114-R146 HydrophobicContact CZ-CG 3.64Å; W142-R146 HydrophobicContact CE3-CB 4.1Å; W142-R146 HydrophobicContact CH2-CB 4.12Å; W142-R146 HydrophobicContact CH2-CG 3.78Å; W142-R146 HydrophobicContact CZ2-CG 4.42Å; W142-R146 HydrophobicContact CZ3-CB 3.86Å; W142-R146 HydrophobicContact CZ3-CG 3.89Å; W142-R146 WeakPolarHBondContact O-CB 3.47Å; W142-R146 PolarHBondContact O-N 3.29Å; F143-R146 PolarHBondContact O-N 3.43Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.04Å; R146-K149 PolarHBondContact O-N 3.15Å; R146-F150 PolarHBondContact O-N 2.93Å
147R97.9Very high93.7Very high44 Ų4476.9 Ų76.917%0.16637%0.367CS..Hα-helixtrans-60.3-39173.2-71.4-165.8-62.3-903.8112.8F114 H118 Y119 F143 F150 R151F114-R147 HydrophobicContact CE2-CG 3.82Å; F114-R147 HydrophobicContact CZ-CG 4.32Å; H118-R147 HydrophobicContact CB-CG 4.31Å; H118-R147 VanDerWaalsContact O-CD 3.28Å; H118-R147 WeakPolarHBondContact O-CD 3.06Å; H118-R147 PolarHBondContact O-NH1 3.41Å; Y119-R147 VanDerWaalsContact CE1-CD 3.42Å; Y119-R147 VanDerWaalsContact CE1-NE 3.3Å; F143-R147 WeakPolarHBondContact O-CB 3.4Å; F143-R147 WeakPolarHBondContact O-CG 3.47Å; F143-R147 PolarHBondContact O-N 2.87Å; R147-F150 PolarHBondContact O-N 3.26Å; R147-R151 WeakPolarHBondContact O-CG 3.23Å; R147-R151 PolarHBondContact O-N 3.03Å
148A97.8Very high92.7Very high33 Ų3380.5 Ų80.527%0.27338%0.379SS..Hα-helixtrans-63.8-41176.900000111.9Q144 N145 R146 R152Q144-A148 WeakPolarHBondContact O-CB 3.39Å; Q144-A148 PolarHBondContact O-N 2.89Å; N145-A148 PolarHBondContact O-N 3.43Å; R146-A148 VanDerWaalsContact C-N 3.32Å; R146-A148 PolarHBondContact O-N 3.04Å; A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 3.48Å
149K96.4Very high91.7Very high139 Ų13979.3 Ų79.360%0.60439%0.386SS*.Hα-helixtrans-64.3-45.1173.8-172.9179.6177.1-175.60111N145 R146 R152 N153N145-K149 PolarHBondContact O-N 3.37Å; R146-K149 PolarHBondContact O-N 3.15Å; K149-R152 PolarHBondContact O-N 3.11Å; K149-R152 VanDerWaalsContact O-N 3.11Å; K149-N153 PolarHBondContact O-N 3.03Å
150F95.3Very high90.6Very high72 Ų7282.3 Ų82.332%0.31641%0.407SS..Hα-helixtrans-55.2-54.1177.1-175.9-92.3000111.6F114 R146 R147 R152 N153 E154F114-F150 HydrophobicContact CE1-CD2 4.46Å; F114-F150 HydrophobicContact CZ-CB 4.42Å; R146-F150 PolarHBondContact O-N 2.93Å; R147-F150 PolarHBondContact O-N 3.26Å; F150-R152 PolarHBondContact O-N 3.4Å; F150-N153 WeakPolarHBondContact O-CB 3.48Å; F150-N153 PolarHBondContact O-N 2.93Å; F150-N153 VanDerWaalsContact O-N 3.1Å; F150-E154 VanDerWaalsContact CE1-CD 3.48Å; F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.4Å; F150-E154 PolarHBondContact O-N 3.07Å; F150-E154 VanDerWaalsContact O-N 3.16Å
151R95.5Very high89.2Confident112 Ų11287.3 Ų87.342%0.42342%0.423SS..Hα-helixtrans-63.4-25.6176.6-67.6-165.1-57.7-101.82.6114.2R147 R155R147-R151 WeakPolarHBondContact O-CG 3.23Å; R147-R151 PolarHBondContact O-N 3.03Å; R151-R155 PolarHBondContact O-NE 2.91Å
152R92.4Very high87.8Confident177 Ų17787.8 Ų87.867%0.66843%0.429SS*.Hα-helixtrans-76.9-39.4175.3-179178.9-87.1117-7.3110.5A148 K149 F150 R155 A156A148-R152 WeakPolarHBondContact O-CB 3.47Å; A148-R152 PolarHBondContact O-N 3.48Å; K149-R152 PolarHBondContact O-N 3.11Å; K149-R152 VanDerWaalsContact O-N 3.11Å; F150-R152 PolarHBondContact O-N 3.4Å; R152-R155 PolarHBondContact O-N 3.08Å; R152-A156 WeakPolarHBondContact O-CB 3.43Å; R152-A156 PolarHBondContact O-N 3.46Å
153N90.8Very high86.4Confident102 Ų10289.2 Ų89.255%0.54545%0.446SS..Hα-helixtrans-60.4-48.1177.5-174.774.1000111.6K149 F150 R155 A156 V157K149-N153 PolarHBondContact O-N 3.03Å; F150-N153 WeakPolarHBondContact O-CB 3.48Å; F150-N153 PolarHBondContact O-N 2.93Å; F150-N153 VanDerWaalsContact O-N 3.1Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-R155 PolarHBondContact O-N 3.39Å; N153-A156 PolarHBondContact O-N 3.37Å; N153-A156 VanDerWaalsContact O-N 3.15Å; N153-V157 WeakPolarHBondContact O-CG2 3.42Å; N153-V157 PolarHBondContact O-N 2.81Å
154E82.8Confident84.8Confident98 Ų9894 Ų9446%0.45847%0.472SS..Hα-helixtrans-58.4-43.4177.4-66.1179.1146.500112.2F150 V157 L158F150-E154 VanDerWaalsContact CE1-CD 3.48Å; F150-E154 HydrophobicContact CE1-CG 4.33Å; F150-E154 WeakPolarHBondContact CE1-OE1 3.37Å; F150-E154 WeakPolarHBondContact CZ-OE1 3.4Å; F150-E154 PolarHBondContact O-N 3.07Å; F150-E154 VanDerWaalsContact O-N 3.16Å; E154-V157 PolarHBondContact O-N 2.92Å; E154-L158 PolarHBondContact O-N 2.95Å
155R80.6Confident83.2Confident158 Ų15895.7 Ų95.760%0.59648%0.483SS*.Hα-helixtrans-68.1-35.5176.7-77.2-177.7-82.4166.1-11.3113.1R151 R152 N153 L158 A159R151-R155 PolarHBondContact O-NE 2.91Å; R152-R155 PolarHBondContact O-N 3.08Å; N153-R155 VanDerWaalsContact C-N 3.32Å; N153-R155 PolarHBondContact O-N 3.39Å; R155-L158 PolarHBondContact O-N 3.42Å; R155-A159 VanDerWaalsContact O-CB 3.31Å; R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.45Å
156A81Confident81.4Confident55 Ų5596.4 Ų96.446%0.45549%0.486SS..Hα-helixtrans-66.8-37.5177.400000111.7R152 N153 A159 S160R152-A156 WeakPolarHBondContact O-CB 3.43Å; R152-A156 PolarHBondContact O-N 3.46Å; N153-A156 PolarHBondContact O-N 3.37Å; N153-A156 VanDerWaalsContact O-N 3.15Å; A156-A159 PolarHBondContact O-N 3.46Å; A156-S160 VanDerWaalsContact O-CB 3.26Å; A156-S160 WeakPolarHBondContact O-CB 3.26Å; A156-S160 PolarHBondContact O-N 2.93Å
157V78.1Confident79.5Confident89 Ų89101 Ų10154%0.53951%0.508SS..Hα-helixtrans-63.3-44.7175.1174.30000110.9N153 E154 S160 R161N153-V157 WeakPolarHBondContact O-CG2 3.42Å; N153-V157 PolarHBondContact O-N 2.81Å; E154-V157 PolarHBondContact O-N 2.92Å; V157-S160 PolarHBondContact O-N 3.27Å; V157-R161 WeakPolarHBondContact O-CB 3.4Å; V157-R161 PolarHBondContact O-N 2.95Å
158L75.3Confident77.4Confident119 Ų119102.1 Ų102.162%0.62352%0.523SS*.Hα-helixtrans-65.3-41.7176.7-66.2174.3000112.4E154 R155 R161 S162E154-L158 PolarHBondContact O-N 2.95Å; R155-L158 PolarHBondContact O-N 3.42Å; L158-R161 PolarHBondContact O-N 3.32Å; L158-S162 PolarHBondContact O-N 3.29Å; L158-S162 PolarHBondContact O-OG 3.01Å
159A76.8Confident75.3Confident54 Ų54108 Ų10845%0.44654%0.539SS..Hα-helixtrans-69.7-35.517800000112.9R155 A156 S162 A163R155-A159 VanDerWaalsContact O-CB 3.31Å; R155-A159 WeakPolarHBondContact O-CB 3.48Å; R155-A159 PolarHBondContact O-N 3.45Å; A156-A159 PolarHBondContact O-N 3.46Å; A159-S162 WeakPolarHBondContact CA-OG 3.31Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.26Å; A159-A163 VanDerWaalsContact O-CB 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 3.36Å
160S74.8Confident73.1Confident63 Ų63107.1 Ų107.144%0.44154%0.541SS..Hα-helixtrans-66.6-40.2173.7175.70000111A156 V157 A163 N164A156-S160 VanDerWaalsContact O-CB 3.26Å; A156-S160 WeakPolarHBondContact O-CB 3.26Å; A156-S160 PolarHBondContact O-N 2.93Å; V157-S160 PolarHBondContact O-N 3.27Å; S160-A163 PolarHBondContact O-N 3.06Å; S160-N164 WeakPolarHBondContact O-CB 3.3Å; S160-N164 VanDerWaalsContact O-CG 3.28Å; S160-N164 PolarHBondContact O-N 3.16Å; S160-N164 PolarHBondContact O-ND2 2.69Å; S160-N164 VanDerWaalsContact O-ND2 3.16Å
161R69.2Low71.1Confident182 Ų182112.1 Ų112.169%0.68757%0.565SS**Hα-helixtrans-63.7-41.2175.5-169.2175.9-179.4-177.1-0.1112.2V157 L158 N164 L165V157-R161 WeakPolarHBondContact O-CB 3.4Å; V157-R161 PolarHBondContact O-N 2.95Å; L158-R161 PolarHBondContact O-N 3.32Å; R161-N164 PolarHBondContact O-N 3.4Å; R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.08Å
162S68.4Low68.8Low71 Ų71115.1 Ų115.150%0.49758%0.584SS.*Hα-helixtrans-70.7-35.8175.961.30000113L158 A159 L165 L166L158-S162 PolarHBondContact O-N 3.29Å; L158-S162 PolarHBondContact O-OG 3.01Å; A159-S162 WeakPolarHBondContact CA-OG 3.31Å; A159-S162 PolarHBondContact O-N 2.87Å; A159-S162 PolarHBondContact O-OG 3.26Å; S162-L165 PolarHBondContact O-N 2.68Å; S162-L166 PolarHBondContact O-N 3.07Å; S162-L166 VanDerWaalsContact O-N 3.08Å
163A67.8Low66.7Low56 Ų56109.1 Ų109.146%0.46357%0.567SS.*Hα-helixtrans-65-38.9172.800000112.2A159 S160 L166 K167A159-A163 VanDerWaalsContact O-CB 3.3Å; A159-A163 WeakPolarHBondContact O-CB 3.43Å; A159-A163 PolarHBondContact O-N 3.36Å; S160-A163 PolarHBondContact O-N 3.06Å; A163-L166 PolarHBondContact O-N 3.41Å; A163-K167 WeakPolarHBondContact O-CB 3.47Å; A163-K167 PolarHBondContact O-N 3.08Å
164N65.3Low64.7Low102 Ų102111.6 Ų111.655%0.54559%0.586SS.*Hα-helixtrans-66.3-38.1174.9-74.3-32.4000112.1S160 R161 K167 S168S160-N164 WeakPolarHBondContact O-CB 3.3Å; S160-N164 VanDerWaalsContact O-CG 3.28Å; S160-N164 PolarHBondContact O-N 3.16Å; S160-N164 PolarHBondContact O-ND2 2.69Å; S160-N164 VanDerWaalsContact O-ND2 3.16Å; R161-N164 PolarHBondContact O-N 3.4Å; N164-K167 PolarHBondContact O-N 2.81Å; N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 2.94Å
165L64.5Low63.3Low119 Ų119113 Ų11362%0.62360%0.595SS**Hα-helixtrans-62.5-43.8173.2-85166.7000112.4R161 S162 K167 S168 Y169R161-L165 PolarHBondContact O-N 3.36Å; R161-L165 VanDerWaalsContact O-N 3.08Å; S162-L165 PolarHBondContact O-N 2.68Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.48Å; L165-S168 PolarHBondContact O-N 3.45Å; L165-Y169 PolarHBondContact O-N 3.36Å
166L60.8Low62Low115 Ų115114.1 Ų114.160%0.60261%0.607SS**Hα-helixtrans-66.5-31.5177.2-167.663.9000112.1S162 A163 N170S162-L166 PolarHBondContact O-N 3.07Å; S162-L166 VanDerWaalsContact O-N 3.08Å; A163-L166 PolarHBondContact O-N 3.41Å; L166-N170 PolarHBondContact O-N 3.36Å; L166-N170 PolarHBondContact O-ND2 2.91Å
167K57.4Low60.5Low161 Ų161119.4 Ų119.470%0.762%0.622SS**Hα-helixtrans-75-35.2175.7-162.6151.1-173173.10112.8A163 N164 L165 N170 Q171A163-K167 WeakPolarHBondContact O-CB 3.47Å; A163-K167 PolarHBondContact O-N 3.08Å; N164-K167 PolarHBondContact O-N 2.81Å; L165-K167 VanDerWaalsContact C-N 3.27Å; L165-K167 PolarHBondContact O-N 3.48Å; K167-N170 PolarHBondContact O-N 3.35Å; K167-Q171 PolarHBondContact O-N 2.81Å
168S55.2Low59.2Low68 Ų68120.5 Ų120.548%0.47663%0.631SS.*Hα-helixtrans-66.7-40.6171.7-163.10000111.7N164 L165 N170 Q171 E172N164-S168 WeakPolarHBondContact O-CB 3.42Å; N164-S168 PolarHBondContact O-N 2.94Å; L165-S168 PolarHBondContact O-N 3.45Å; S168-N170 VanDerWaalsContact C-N 3.27Å; S168-N170 PolarHBondContact O-N 3.25Å; S168-Q171 PolarHBondContact O-N 2.74Å; S168-Q171 VanDerWaalsContact O-N 3.07Å; S168-E172 PolarHBondContact O-N 3.3Å
169Y52.9Low58.1Low155 Ų155121.2 Ų121.261%0.60864%0.64SS**Hα-helixtrans-60.8-35.6174-174-100.9000111.9L165 Q171 V173L165-Y169 PolarHBondContact O-N 3.36Å; Y169-Q171 VanDerWaalsContact C-N 3.28Å; Y169-Q171 PolarHBondContact O-N 3.42Å; Y169-V173 HydrophobicContact CD1-CG2 3.99Å; Y169-V173 HydrophobicContact CD2-CG2 4Å; Y169-V173 HydrophobicContact CE1-CG2 3.77Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 HydrophobicContact CG-CG2 4.1Å; Y169-V173 WeakPolarHBondContact O-CG2 2.96Å
170N51.3Low57.2Low122 Ų122122.4 Ų122.465%0.65265%0.65SS**Hα-helixtrans-73.1-13.9175.6-86.2-96000114.6L166 K167 S168L166-N170 PolarHBondContact O-N 3.36Å; L166-N170 PolarHBondContact O-ND2 2.91Å; K167-N170 PolarHBondContact O-N 3.35Å; S168-N170 VanDerWaalsContact C-N 3.27Å; S168-N170 PolarHBondContact O-N 3.25Å
171Q51.4Low56.2Low176 Ų176125.2 Ų125.282%0.82267%0.667SS**Hα-helixtrans-93.9-19.1-179.7-167.7165.160.400113.1K167 S168 Y169K167-Q171 PolarHBondContact O-N 2.81Å; S168-Q171 PolarHBondContact O-N 2.74Å; S168-Q171 VanDerWaalsContact O-N 3.07Å; Y169-Q171 VanDerWaalsContact C-N 3.28Å; Y169-Q171 PolarHBondContact O-N 3.42Å
172E47.8Very low55.4Low175 Ų175127 Ų12782%0.81867%0.674SS**Hα-helixtrans-118.8-0.1-174.7-111.3-173.8-177.500116.3S168S168-E172 PolarHBondContact O-N 3.3Å
173V49Very low54.8Low52 Ų52129.2 Ų129.232%0.31569%0.686SS.*  trans-121.289170.4-82.20000112.1Y169 I175Y169-V173 HydrophobicContact CD1-CG2 3.99Å; Y169-V173 HydrophobicContact CD2-CG2 4Å; Y169-V173 HydrophobicContact CE1-CG2 3.77Å; Y169-V173 HydrophobicContact CE2-CG2 3.79Å; Y169-V173 HydrophobicContact CG-CG2 4.1Å; Y169-V173 WeakPolarHBondContact O-CG2 2.96Å; V173-I175 HydrophobicContact CB-CB 4.26Å; V173-I175 HydrophobicContact CB-CD1 4.31Å; V173-I175 HydrophobicContact CB-CG1 4.06Å; V173-I175 HydrophobicContact CG1-CB 4.41Å; V173-I175 HydrophobicContact CG1-CD1 3.54Å; V173-I175 HydrophobicContact CG1-CG1 3.8Å; V173-I175 PolarHBondContact O-N 3.09Å; V173-I175 VanDerWaalsContact O-N 3.09Å
174V49.2Very low54.5Low154 Ų154130.1 Ų130.193%0.93369%0.694SS**  trans-72.170.5141.1-1780000106.4
175I51.8Low53.9Low128 Ų128131 Ų13166%0.65671%0.705SS**  trans-112.6111.1165.3-64.3179.7000105.8V173 Q177V173-I175 HydrophobicContact CB-CB 4.26Å; V173-I175 HydrophobicContact CB-CD1 4.31Å; V173-I175 HydrophobicContact CB-CG1 4.06Å; V173-I175 HydrophobicContact CG1-CB 4.41Å; V173-I175 HydrophobicContact CG1-CD1 3.54Å; V173-I175 HydrophobicContact CG1-CG1 3.8Å; V173-I175 PolarHBondContact O-N 3.09Å; V173-I175 VanDerWaalsContact O-N 3.09Å; I175-Q177 PolarHBondContact O-N 3.21Å
176E54.9Low53.5Low181 Ų181132.7 Ų132.785%0.84671%0.714SS**  trans-42114.5175.6-171.8-164.8146.600111.1
177Q49.5Very low53.4Low165 Ų165131 Ų13177%0.77171%0.712SS**  trans-90.7138.2164.1-81.7-126.466.700108.9I175 V179I175-Q177 PolarHBondContact O-N 3.21Å; Q177-V179 PolarHBondContact O-N 3.33Å; Q177-V179 VanDerWaalsContact O-N 3.07Å
178P49.6Very low53.1Low112 Ų112128.3 Ų128.373%0.72771%0.713SS**  trans-59117.417523.9-31.9000109.4A180P178-A180 PolarHBondContact O-N 2.98Å
179V53.4Low52.9Low135 Ų135132.7 Ų132.782%0.81873%0.726SS**  trans-59.8109.3179.7159.40000109.3Q177Q177-V179 PolarHBondContact O-N 3.33Å; Q177-V179 VanDerWaalsContact O-N 3.07Å
180A56.3Low52.9Low78 Ų78135.3 Ų135.365%0.64574%0.736SS**PPolyproline II helixtrans-67.2143.7158.700000108.7P178 R182P178-A180 PolarHBondContact O-N 2.98Å; A180-R182 PolarHBondContact O-N 2.92Å
181P54.3Low53Low123 Ų123136 Ų13680%0.79974%0.739SS**PPolyproline II helixtrans-57.4116.8-177.6-18.229.2000110.1P183P181-P183 WeakPolarHBondContact O-CD 3.48Å
182R53.1Low53.1Low220 Ų220132.1 Ų132.183%0.8373%0.731SS**PPolyproline II helixtrans-68.8122.7178.9-175.2-179.9-179.1-177.51.5109A180 A184A180-R182 PolarHBondContact O-N 2.92Å; R182-A184 PolarHBondContact O-N 3.22Å
183P55.9Low53.5Low117 Ų117135.5 Ų135.576%0.7674%0.737SS**PPolyproline II helixtrans-64135.5167.426-30.2000108.9P181P181-P183 WeakPolarHBondContact O-CD 3.48Å
184A61.1Low53.8Low75 Ų75137.7 Ų137.762%0.6275%0.754SS**PPolyproline II helixtrans-49.5154.8-173.500000114.1R182 L186R182-A184 PolarHBondContact O-N 3.22Å; A184-L186 PolarHBondContact O-N 3.1Å
185P53Low53.5Low121 Ų121134.4 Ų134.479%0.78674%0.739SS**  trans-65.9108.3172.928-31.9000109.4
186L55.6Low53.7Low153 Ų153133.4 Ų133.480%0.80175%0.75SS**  trans-71.3142170.4-64.9174.9000109.6A184A184-L186 PolarHBondContact O-N 3.1Å
187S59.8Low53.4Low80 Ų80130.9 Ų130.956%0.55975%0.746SS**  trans-56.2154.9-175.351.30000113.4E189S187-E189 PolarHBondContact O-N 3.04Å
188S51.2Low53.8Low104 Ų104128.7 Ų128.773%0.72775%0.747SS**G310 helixtrans-57.40.8-177.2-170.60000116Y190S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 2.89Å
189E50.3Low53.3Low161 Ų161134 Ų13475%0.75275%0.754SS**G310 helixtrans-76.8-11.3-179.7-77.2177124.800113.8S187S187-E189 PolarHBondContact O-N 3.04Å
190Y52.3Low53.2Low209 Ų209132.5 Ų132.582%0.8275%0.749SS**G310 helixtrans-87.60.8-179.9-110.4-92.4000115.3S188S188-Y190 VanDerWaalsContact C-N 3.28Å; S188-Y190 PolarHBondContact O-N 2.89Å
191L53.3Low52.7Low136 Ų136133.6 Ų133.671%0.71276%0.758SS**G310 helixtrans-96.422.1179.3-74.6166.9000114W193L191-W193 PolarHBondContact O-N 3.47Å
192S53.4Low52.6Low95 Ų95134.2 Ų134.266%0.66476%0.759SS**G310 helixtrans-71.98.4-171.468.20000116.8S194S192-S194 PolarHBondContact O-N 3.07Å
193W56.6Low52.6Low246 Ų246129.4 Ų129.493%0.93276%0.757SS**G310 helixtrans-71.3-12.1-179.4137.2-81.3000114.2L191L191-W193 PolarHBondContact O-N 3.47Å
194S55Low52Low98 Ų98130.4 Ų130.469%0.68576%0.756SS**G310 helixtrans-134.425.2-170.155.50000117.2S192S192-S194 PolarHBondContact O-N 3.07Å
195S43.7Very low51.3Low86 Ų86136.4 Ų136.460%0.60176%0.764SS**  trans-134.5104.3169.757.90000111.2T197S195-T197 PolarHBondContact O-N 3.42Å
196A56.3Low50.5Low107 Ų107135.9 Ų135.988%0.88476%0.763SS**  trans-56.8128162.700000109.6
197T48.3Very low50Low127 Ų127134.3 Ų134.378%0.77977%0.765SS**  trans-124.5138.4160.532.30000109.6S195S195-T197 PolarHBondContact O-N 3.42Å
198P57.6Low49Very low120 Ų120136.4 Ų136.478%0.77978%0.779SS**  trans-86.8157.3177.735.5-31.3000111
199Y38.8Very low48.9Very low224 Ų224136.6 Ų136.688%0.87878%0.781SS**  trans89.2102.5159.9-135-100.6000119.3
200S52.3Low48.9Very low103 Ų103135.4 Ų135.472%0.7279%0.785SS**  52108.5128.5-132.30000120.4
201A44.1Very low48.7Very low101 Ų101131.8 Ų131.884%0.83579%0.787SS**  trans-151.9133.9142.600000109.5
202V53Low48Very low135 Ų135131.8 Ų131.882%0.81879%0.793SS**PPolyproline II helixtrans-58.6148.3-173.5-660000114.2
203P54.1Low47.8Very low120 Ų120132.5 Ų132.578%0.77981%0.805SS**PPolyproline II helixtrans-85.8123.3169.931.5-28000111
204N43.3Very low47.1Very low138 Ų138123.7 Ų123.774%0.73879%0.79SS**PPolyproline II helixtrans-75.4124.1163.3-171.532.3000108.7
205Y44.8Very low46.7Very low200 Ų200129 Ų12978%0.78480%0.804SS**PPolyproline II helixtrans-78.2123174.628.6-92.4000109.4
206S37.3Very low46.7Very low111 Ų111127.2 Ų127.278%0.77680%0.799SS**  trans-149.5111.6156.7-77.30000109.3
207S43.9Very low46.5Very low119 Ų119128.4 Ų128.483%0.83280%0.795SS**  trans-64138.5177.4-47.10000111.7
208S40Very low46.8Very low124 Ų124127.2 Ų127.287%0.86779%0.788SS**  trans-172.2134.1133.242.10000111
209S49.3Very low46.7Very low109 Ų109128.8 Ų128.876%0.76279%0.787SS**  trans-81.3132.8-17847.10000112.3
210T49.2Very low47.5Very low136 Ų136121.1 Ų121.183%0.83477%0.77SS**  trans-168.9137.2137.445.20000109.5
211P47.6Very low48Very low133 Ų133121.7 Ų121.786%0.86477%0.765SS**  trans-104110.516231.9-22.1000110
212T39.3Very low49.9Very low135 Ų135119.7 Ų119.783%0.82875%0.745SS**  trans-86.2130.3161.1-163.10000108.9G214T212-G214 PolarHBondContact O-N 3.03Å; T212-G214 VanDerWaalsContact O-N 3.16Å
213A48.5Very low51.2Low111 Ų111118.4 Ų118.492%0.91773%0.732SS**  trans-76.498.5176.900000109
214G41.8Very low52.5Low60 Ų60115.3 Ų115.362%0.61972%0.716SS**  trans-136.5124.2178.600000110.5T212 G216T212-G214 PolarHBondContact O-N 3.03Å; T212-G214 VanDerWaalsContact O-N 3.16Å; G214-G216 PolarHBondContact O-N 3.04Å
215Q47.8Very low54.6Low209 Ų209110 Ų11098%0.97769%0.69SS**  trans-29.9121.1176.6-65.6164.6-20.300115.2
216G43Very low56.7Low50 Ų50104.7 Ų104.752%0.51568%0.675SS.*  trans-173.8131.5163.800000106.4G214 T218G214-G216 PolarHBondContact O-N 3.04Å; G216-T218 PolarHBondContact O-N 3.03Å; G216-T218 PolarHBondContact O-OG1 3.19Å; G216-T218 VanDerWaalsContact O-OG1 3.11Å
217V52.3Low59.2Low132 Ų132107.5 Ų107.580%0.867%0.669SS**  trans-74.165165.6-149.80000105.9N221V217-N221 HydrophobicContact CG1-CB 4.42Å
218T55.1Low61.2Low101 Ų101106.8 Ų106.862%0.6266%0.655SS**  trans-54.5141.1179.3-41.10000106G216 A220 N221G216-T218 PolarHBondContact O-N 3.03Å; G216-T218 PolarHBondContact O-OG1 3.19Å; G216-T218 VanDerWaalsContact O-OG1 3.11Å; T218-A220 WeakPolarHBondContact O-CA 3.41Å; T218-A220 PolarHBondContact O-N 2.94Å; T218-N221 PolarHBondContact O-N 3.11Å
219M55.3Low63.5Low153 Ų153108 Ų10875%0.75464%0.644SS**G310 helixtrans-47.3-16.5-173-70.2-138.4-78.500114.7N221 S222 S225M219-N221 PolarHBondContact O-N 3.36Å; M219-S222 PolarHBondContact O-N 3.07Å; M219-S225 WeakPolarHBondContact O-CB 3.39Å; M219-S225 PolarHBondContact O-OG 2.83Å
220A56.5Low65.1Low64 Ų64105.7 Ų105.753%0.52963%0.633SS.*G310 helixtrans-39.8-29.6165.700000117.2T218T218-A220 WeakPolarHBondContact O-CA 3.41Å; T218-A220 PolarHBondContact O-N 2.94Å
221N62.4Low66.8Low115 Ų115106.5 Ų106.562%0.61562%0.624SS**G310 helixtrans-98.6-6.1179.4-73.8-36.9000115.2V217 T218 M219V217-N221 HydrophobicContact CG1-CB 4.42Å; T218-N221 PolarHBondContact O-N 3.11Å; M219-N221 PolarHBondContact O-N 3.36Å
222S82.4Confident68.4Low58 Ų58105.9 Ų105.941%0.40661%0.61SS.*SBendtrans-66.4139.4175.6177.80000110.1M219 A224 S225 L226M219-S222 PolarHBondContact O-N 3.07Å; S222-A224 PolarHBondContact O-N 3.25Å; S222-A224 VanDerWaalsContact O-N 3.1Å; S222-A224 PolarHBondContact OG-N 3.31Å; S222-S225 PolarHBondContact O-N 3.07Å; S222-L226 PolarHBondContact O-N 2.6Å
223I80.3Confident70.3Confident108 Ų108107.8 Ų107.855%0.55460%0.603SS**Hα-helixtrans-52-34.6173.1-70.7170.3000110.8R227I223-R227 WeakPolarHBondContact O-CB 3.18Å; I223-R227 WeakPolarHBondContact O-CD 3.4Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 2.96Å
224A82.1Confident71.8Confident55 Ų55104.7 Ų104.746%0.45558%0.575SS.*Hα-helixtrans-63.9-49176.300000111.6S222 R227 L228S222-A224 PolarHBondContact O-N 3.25Å; S222-A224 VanDerWaalsContact O-N 3.1Å; S222-A224 PolarHBondContact OG-N 3.31Å; A224-R227 WeakPolarHBondContact O-CB 3.4Å; A224-R227 PolarHBondContact O-N 3.31Å; A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.16Å
225S88.3Confident73.4Confident27 Ų27107.6 Ų107.619%0.18958%0.576CS.*Hα-helixtrans-68.6-38.5179.9-49.40000112.8M219 S222 R227 L228 K229M219-S225 WeakPolarHBondContact O-CB 3.39Å; M219-S225 PolarHBondContact O-OG 2.83Å; S222-S225 PolarHBondContact O-N 3.07Å; S225-R227 VanDerWaalsContact C-N 3.28Å; S225-R227 PolarHBondContact O-N 2.91Å; S225-L228 PolarHBondContact O-N 3.06Å; S225-K229 VanDerWaalsContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CB 3.31Å; S225-K229 PolarHBondContact O-N 2.65Å
226L89.1Confident74.5Confident89 Ų89103.2 Ų103.247%0.46656%0.555SS.*Hα-helixtrans-61.7-38.1172.6-70.4171.5000111.4S222 A230S222-L226 PolarHBondContact O-N 2.6Å; L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 2.89Å; L226-A230 PolarHBondContact O-N 3.46Å
227R88.4Confident75.8Confident169 Ų169106.2 Ų106.264%0.63856%0.555SS**Hα-helixtrans-67.5-41.8174.1-77.2171.5-179.4152.43112.3I223 A224 S225 A230 K231I223-R227 WeakPolarHBondContact O-CB 3.18Å; I223-R227 WeakPolarHBondContact O-CD 3.4Å; I223-R227 WeakPolarHBondContact O-CG 3.37Å; I223-R227 PolarHBondContact O-N 2.96Å; A224-R227 WeakPolarHBondContact O-CB 3.4Å; A224-R227 PolarHBondContact O-N 3.31Å; S225-R227 VanDerWaalsContact C-N 3.28Å; S225-R227 PolarHBondContact O-N 2.91Å; R227-A230 PolarHBondContact O-N 2.78Å; R227-K231 WeakPolarHBondContact O-CG 3.48Å; R227-K231 PolarHBondContact O-N 3.18Å; R227-K231 VanDerWaalsContact O-N 3.07Å
228L86.1Confident76Confident104 Ų104104.9 Ų104.955%0.54554%0.544SS..Hα-helixtrans-62.5-50175.8-71.1170.6000110.4A224 S225 A230 K231 E232A224-L228 WeakPolarHBondContact O-CG 3.28Å; A224-L228 PolarHBondContact O-N 3.16Å; S225-L228 PolarHBondContact O-N 3.06Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.47Å; L228-K231 WeakPolarHBondContact O-CB 3.45Å; L228-K231 PolarHBondContact O-N 3.32Å; L228-E232 PolarHBondContact O-N 3.32Å
229K88Confident76.1Confident149 Ų149107.1 Ų107.165%0.64855%0.547SS*.Hα-helixtrans-59-39.6177-169.6168.9-175.4170.80112.7S225 E232 Y233S225-K229 VanDerWaalsContact O-CB 3.29Å; S225-K229 WeakPolarHBondContact O-CB 3.31Å; S225-K229 PolarHBondContact O-N 2.65Å; K229-E232 PolarHBondContact O-N 3.44Å; K229-Y233 VanDerWaalsContact O-CB 3.31Å; K229-Y233 WeakPolarHBondContact O-CB 3.48Å; K229-Y233 PolarHBondContact O-N 3.42Å
230A82.8Confident76.1Confident62 Ų62105.8 Ų105.851%0.51255%0.548SS..Hα-helixtrans-66.9-35.2175.400000113L226 R227 L228 S234L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 2.89Å; L226-A230 PolarHBondContact O-N 3.46Å; R227-A230 PolarHBondContact O-N 2.78Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.47Å; A230-S234 WeakPolarHBondContact O-CB 3.29Å; A230-S234 PolarHBondContact O-N 3.16Å; A230-S234 VanDerWaalsContact O-N 3.11Å
231K85.9Confident75.9Confident153 Ų153108.4 Ų108.467%0.66556%0.559SS**Hα-helixtrans-66.9-46.7174.3-75.3177.1174.8-173.50111.1R227 L228 S234 L235R227-K231 WeakPolarHBondContact O-CG 3.48Å; R227-K231 PolarHBondContact O-N 3.18Å; R227-K231 VanDerWaalsContact O-N 3.07Å; L228-K231 WeakPolarHBondContact O-CB 3.45Å; L228-K231 PolarHBondContact O-N 3.32Å; K231-S234 PolarHBondContact O-N 3.41Å; K231-L235 PolarHBondContact O-N 2.89Å; K231-L235 VanDerWaalsContact O-N 3.16Å
232E80Confident75.8Confident120 Ų120109.4 Ų109.456%0.56157%0.57SS**Hα-helixtrans-62.3-44.1176.7-71.1-170.194.400111.9L228 K229 S234 L235 H236L228-E232 PolarHBondContact O-N 3.32Å; K229-E232 PolarHBondContact O-N 3.44Å; E232-S234 VanDerWaalsContact C-N 3.3Å; E232-S234 PolarHBondContact O-N 3.23Å; E232-L235 WeakPolarHBondContact O-CB 3.4Å; E232-L235 PolarHBondContact O-N 3.26Å; E232-H236 PolarHBondContact O-N 3.11Å; E232-H236 PolarHBondContact O-ND1 2.74Å
233Y80.7Confident74.1Confident174 Ų174111.3 Ų111.368%0.68259%0.588SS**Hα-helixtrans-60.7-39.5177.3-168.8-94.2000112.3K229 L235 Q237K229-Y233 VanDerWaalsContact O-CB 3.31Å; K229-Y233 WeakPolarHBondContact O-CB 3.48Å; K229-Y233 PolarHBondContact O-N 3.42Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 3.1Å; Y233-Q237 PolarHBondContact O-N 3.4Å
234S78.5Confident72.4Confident46 Ų46117.5 Ų117.532%0.32262%0.623SS.*Hα-helixtrans-67.9-25.2175.3-172.90000113.4A230 K231 E232 N238A230-S234 WeakPolarHBondContact O-CB 3.29Å; A230-S234 PolarHBondContact O-N 3.16Å; A230-S234 VanDerWaalsContact O-N 3.11Å; K231-S234 PolarHBondContact O-N 3.41Å; E232-S234 VanDerWaalsContact C-N 3.3Å; E232-S234 PolarHBondContact O-N 3.23Å; S234-N238 PolarHBondContact O-ND2 3.03Å
235L77.4Confident71.9Confident122 Ų122120.7 Ų120.764%0.63963%0.631SS**Hα-helixtrans-75.7-46179-170.468.6000110.8K231 E232 Y233 Q237 N238K231-L235 PolarHBondContact O-N 2.89Å; K231-L235 VanDerWaalsContact O-N 3.16Å; E232-L235 WeakPolarHBondContact O-CB 3.4Å; E232-L235 PolarHBondContact O-N 3.26Å; Y233-L235 VanDerWaalsContact C-N 3.28Å; Y233-L235 PolarHBondContact O-N 3.1Å; L235-Q237 VanDerWaalsContact C-N 3.3Å; L235-Q237 PolarHBondContact O-N 2.98Å; L235-N238 PolarHBondContact O-N 3.09Å
236H70.9Confident71Confident116 Ų116125.6 Ų125.654%0.53766%0.655SS.*Hα-helixtrans-64.2-30.5-179-68.293.9000113.4E232 N238 Q239E232-H236 PolarHBondContact O-N 3.11Å; E232-H236 PolarHBondContact O-ND1 2.74Å; H236-N238 VanDerWaalsContact C-N 3.25Å; H236-N238 PolarHBondContact O-N 3.43Å; H236-Q239 PolarHBondContact O-N 3.04Å
237Q69.1Low70Confident113 Ų113127.6 Ų127.653%0.52867%0.665SS.*THydrogen-bonded Turntrans-71.9-10.6-178.9-150.8-171.425.200114.6Y233 L235Y233-Q237 PolarHBondContact O-N 3.4Å; L235-Q237 VanDerWaalsContact C-N 3.3Å; L235-Q237 PolarHBondContact O-N 2.98Å
238N56.3Low68.9Low104 Ų104125.2 Ų125.256%0.55667%0.667SS**THydrogen-bonded Turntrans-98.63179.3-68.4-75.8000113.6S234 L235 H236S234-N238 PolarHBondContact O-ND2 3.03Å; L235-N238 PolarHBondContact O-N 3.09Å; H236-N238 VanDerWaalsContact C-N 3.25Å; H236-N238 PolarHBondContact O-N 3.43Å
239Q58.6Low67.8Low149 Ų149126.5 Ų126.570%0.69667%0.674SS**  trans-10181.7175.6-62.2-170.5104.600109.2H236H236-Q239 PolarHBondContact O-N 3.04Å
240V53.8Low66.5Low125 Ų125125 Ų12576%0.75868%0.676SS**  trans-75.2123.9169.1-137.90000107.2T242V240-T242 PolarHBondContact O-N 3.37Å; V240-T242 VanDerWaalsContact O-N 3.1Å
241P52.7Low65.3Low119 Ų119129.5 Ų129.577%0.77369%0.688SS**  trans-66.4111.5172.4-12.626.7000108.2A243P241-A243 VanDerWaalsContact C-N 3.3Å; P241-A243 PolarHBondContact O-N 3.45Å; P241-A243 VanDerWaalsContact O-N 3.09Å
242T59.8Low63.8Low136 Ų136127.7 Ų127.783%0.83469%0.69SS**  trans-73.793.7160.452.60000106.3V240 N244V240-T242 PolarHBondContact O-N 3.37Å; V240-T242 VanDerWaalsContact O-N 3.1Å; T242-N244 PolarHBondContact O-N 2.82Å
243A48.3Very low62.4Low97 Ų97128.3 Ų128.380%0.80270%0.7SS**  trans-65.3121.7167.100000108P241P241-A243 VanDerWaalsContact C-N 3.3Å; P241-A243 PolarHBondContact O-N 3.45Å; P241-A243 VanDerWaalsContact O-N 3.09Å
244N42.9Very low60.7Low239 Ų239124.2 Ų124.2100%1.27870%0.702SS**  trans-790162.5-96.6-28.5000109.5T242T242-N244 PolarHBondContact O-N 2.82Å

Retrieved 244 of 244 residues in 192.1 ms (Link to these results)