A0A3Q0KRF6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KRF6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 226 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.7Very low35.1Very low237 Ų237156.5 Ų156.5100%1.16785%0.853SS**  080.20-154.3151165.600107.4
2S34.9Very low35.1Very low123 Ų123155.3 Ų155.386%0.8685%0.853SS**  trans-10495.8-174.950.10000108.4
3L36.8Very low34.6Very low159 Ų159156.1 Ų156.183%0.83284%0.843SS**  trans-135.644.7-172.9-114.8172.6000111.7
4Q38.4Very low34.6Very low185 Ų185154.9 Ų154.986%0.86484%0.844SS**  trans-145.626.7-174.9-126171.838.100117.5
5D35.6Very low34.4Very low152 Ų152151.6 Ų151.681%0.81384%0.837SS**SBendtrans-126.416.3176.8-95.3-30000116.3
6N31.1Very low34.2Very low157 Ų157152.9 Ų152.984%0.8484%0.835SS**  trans-103.612.4175.7-84.5-8000115.3S8N6-S8 PolarHBondContact O-N 3.08Å
7C34.6Very low34.3Very low141 Ų141159.1 Ų159.195%0.95384%0.843SS**THydrogen-bonded Turntrans-82.138.3173.5-150.10000112.9
8S35.9Very low34.8Very low97 Ų97153.8 Ų153.868%0.67883%0.832SS**THydrogen-bonded Turntrans-132.6-0.2-178.763.50000116.3N6N6-S8 PolarHBondContact O-N 3.08Å
9V38.3Very low34.9Very low123 Ų123150.3 Ų150.375%0.74581%0.813SS**SBendtrans-135.8-5.5-176.8-169.40000115.8
10Q32.3Very low35.2Very low171 Ų171146.2 Ų146.280%0.79980%0.795SS**  trans-12378.3-178.3-79.6-171.70.300114
11E34.4Very low35.6Very low177 Ų177144 Ų14483%0.82778%0.778SS**  trans-150.344.1139.1-122.2-178.3-178.300110.5
12V34.9Very low36.1Very low142 Ų142134.4 Ų134.486%0.86173%0.731SS**  trans-108.151.6158.4-1700000107.6
13K28.2Very low36.4Very low165 Ų165135.3 Ų135.372%0.71773%0.726SS**SBendtrans-132.7112.1167.6-97.2-176.3175.6179.70108.9
14T35Very low36.9Very low139 Ų139128.7 Ų128.785%0.85369%0.691SS**  trans6280.3151.762.60000116.5
15S31.8Very low37.2Very low106 Ų106124.6 Ų124.674%0.74168%0.681SS**  trans-134.9140.7142.5-163.40000109.9
16H30.6Very low37.7Very low173 Ų173120.1 Ų120.180%0.80166%0.661SS**  trans-56.6134.3-159.7-81.3-105.2000114.5G18H16-G18 PolarHBondContact O-N 3.46Å
17R36.9Very low38.4Very low258 Ų258115.4 Ų115.497%0.97465%0.65SS**THydrogen-bonded Turntrans0.985.2144.4-156.5179.5-162.9-178.44114.4
18G42.2Very low39Very low63 Ų63112.4 Ų112.465%0.64962%0.622SS**THydrogen-bonded Turntrans160.7-46.617100000114.3H16H16-G18 PolarHBondContact O-N 3.46Å
19D37.9Very low39.4Very low87 Ų87118.1 Ų118.147%0.46563%0.629SS.*  trans-127.394.5-167.3-60-36.4000111.2F21 V32D19-F21 HydrophobicContact CB-CD2 3.95Å; D19-F21 HydrophobicContact CB-CE1 3.94Å; D19-F21 HydrophobicContact CB-CE2 3.24Å; D19-F21 HydrophobicContact CB-CZ 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.41Å; D19-F21 WeakPolarHBondContact O-CE2 3.32Å; D19-F21 PolarHBondContact O-N 3.49Å; D19-V32 HydrophobicContact CB-CG2 4.34Å; D19-V32 WeakPolarHBondContact OD1-CG2 3.22Å
20C41.5Very low40.1Very low68 Ų68114.6 Ų114.646%0.45961%0.607SS.*  trans-70.5108.1166.7-158.20000106.9L31 M35C20-L31 WeakPolarHBondContact O-CB 3.22Å; C20-L31 WeakPolarHBondContact O-CD2 3.38Å; C20-M35 HydrophobicContact CB-SD 4.25Å
21F41.9Very low41.2Very low101 Ų101107.2 Ų107.244%0.44357%0.573SS.*  trans-97.5126.7177.8-61.4-80.6000109.7D19 R29D19-F21 HydrophobicContact CB-CD2 3.95Å; D19-F21 HydrophobicContact CB-CE1 3.94Å; D19-F21 HydrophobicContact CB-CE2 3.24Å; D19-F21 HydrophobicContact CB-CZ 3.24Å; D19-F21 WeakPolarHBondContact O-CD2 3.41Å; D19-F21 WeakPolarHBondContact O-CE2 3.32Å; D19-F21 PolarHBondContact O-N 3.49Å; F21-R29 HydrophobicContact CD1-CB 4.46Å
22L45.7Very low42Very low35 Ų35101.9 Ų101.918%0.18355%0.552CS.*  trans-96.8113.6167.9-158.5153.7000104.4L24 L31 L108L22-L24 HydrophobicContact CD2-CD1 3.88Å; L22-L24 HydrophobicContact CD2-CG 4.45Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact O-N 3.08Å; L22-L31 HydrophobicContact CB-CD1 3.1Å; L22-L31 HydrophobicContact CB-CD2 3.6Å; L22-L31 HydrophobicContact CB-CG 3.93Å; L22-L31 HydrophobicContact CD1-CD1 4.31Å; L22-L31 HydrophobicContact CG-CD1 4.24Å; L22-L108 HydrophobicContact CD1-CB 3.98Å; L22-L108 HydrophobicContact CD1-CD2 3.88Å; L22-L108 WeakPolarHBondContact CD1-O 3.46Å
23L40.7Very low43.1Very low142 Ų142103.2 Ų103.274%0.74355%0.547SS*.  trans-66.7105.8167.2-109.184.8000107.5
24L47.8Very low44.9Very low21 Ų2198.1 Ų98.111%0.1152%0.523CS..  trans-68.2149.5159.5-85.180.2000108.4L22 S26 G27 P184L22-L24 HydrophobicContact CD2-CD1 3.88Å; L22-L24 HydrophobicContact CD2-CG 4.45Å; L22-L24 PolarHBondContact O-N 3.19Å; L22-L24 VanDerWaalsContact O-N 3.08Å; L24-S26 WeakPolarHBondContact CB-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.18Å; L24-G27 PolarHBondContact O-N 3.26Å; L24-P184 HydrophobicContact CD2-CB 3.38Å
25P43.1Very low46.4Very low98 Ų9893.7 Ų93.764%0.63649%0.494SS*.THydrogen-bonded Turntrans-59.5-9.7172.824-32.8000113.6
26S48Very low48.6Very low58 Ų5893.7 Ų93.741%0.40649%0.485SS..THydrogen-bonded Turntrans-84.8-3.1172.156.70000114.6L24 E28L24-S26 WeakPolarHBondContact CB-OG 3.43Å; L24-S26 PolarHBondContact O-N 3.18Å; S26-E28 PolarHBondContact O-N 3.48Å
27G45.4Very low50.9Low59 Ų5986.4 Ų86.461%0.60846%0.457SS*.  trans74.73.7179.700000115.4L24L24-G27 PolarHBondContact O-N 3.26Å
28E45.9Very low53.1Low78 Ų7874.6 Ų74.636%0.36441%0.413SS..  trans-85.4118.5-174.4-137.8178.3-175.400111.5S26 V30S26-E28 PolarHBondContact O-N 3.48Å; E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 HydrophobicContact CB-CG2 3.83Å; E28-V30 HydrophobicContact CG-CG2 3.61Å; E28-V30 PolarHBondContact O-N 3.18Å
29R46.1Very low55.1Low217 Ų21777.1 Ų77.182%0.81941%0.408SS*.  trans-77.978.1177.9-63.2-176.8-169.41773.2110.6F21F21-R29 HydrophobicContact CD1-CB 4.46Å
30V52.8Low57.5Low48 Ų4878 Ų7829%0.29141%0.412SS..  trans-125.272.2-176.1-153.10000110.9E28 Y34E28-V30 VanDerWaalsContact C-N 3.35Å; E28-V30 HydrophobicContact CB-CG2 3.83Å; E28-V30 HydrophobicContact CG-CG2 3.61Å; E28-V30 PolarHBondContact O-N 3.18Å; V30-Y34 HydrophobicContact CB-CD2 4.31Å; V30-Y34 HydrophobicContact CB-CE2 4.15Å; V30-Y34 HydrophobicContact CG1-CD2 3.43Å; V30-Y34 VanDerWaalsContact CG1-CD2 3.43Å; V30-Y34 HydrophobicContact CG1-CE2 3Å
31L54.2Low59.7Low17 Ų1775.2 Ų75.29%0.08939%0.392CS..  trans-118.6-50-173.9-131.583.2000119.2C20 L22 K33 Y34 M35 L108C20-L31 WeakPolarHBondContact O-CB 3.22Å; C20-L31 WeakPolarHBondContact O-CD2 3.38Å; L22-L31 HydrophobicContact CB-CD1 3.1Å; L22-L31 HydrophobicContact CB-CD2 3.6Å; L22-L31 HydrophobicContact CB-CG 3.93Å; L22-L31 HydrophobicContact CD1-CD1 4.31Å; L22-L31 HydrophobicContact CG-CD1 4.24Å; L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.37Å; L31-Y34 PolarHBondContact O-N 3.37Å; L31-M35 HydrophobicContact CD2-CG 3.86Å; L31-M35 HydrophobicContact CD2-SD 3.51Å; L31-M35 VanDerWaalsContact CD2-SD 3.51Å; L31-M35 HydrophobicContact CG-CG 4.05Å; L31-M35 HydrophobicContact CG-SD 4.25Å; L31-M35 WeakPolarHBondContact O-CG 3.12Å; L31-M35 PolarHBondContact O-N 3.29Å; L31-L108 HydrophobicContact CD2-CD2 3.82Å
32V52.2Low61.8Low64 Ų6470.4 Ų70.439%0.38837%0.371SS..Hα-helixtrans-62.3-41.8-168.2-177.80000112D19 Y34 N36D19-V32 HydrophobicContact CB-CG2 4.34Å; D19-V32 WeakPolarHBondContact OD1-CG2 3.22Å; V32-Y34 VanDerWaalsContact C-N 3.32Å; V32-Y34 PolarHBondContact O-N 3.42Å; V32-N36 PolarHBondContact O-N 3.41Å
33K58.1Low63.9Low170 Ų17075.3 Ų75.374%0.73939%0.391SS*.Hα-helixtrans-68.5-30.7178.3-160.2174.3-178.6-176.60112.9L31 G37L31-K33 VanDerWaalsContact C-N 3.32Å; L31-K33 PolarHBondContact O-N 3.37Å; K33-G37 PolarHBondContact O-N 3.25Å
34Y66.1Low66.3Low58 Ų5870 Ų7023%0.22737%0.366CS..Hα-helixtrans-80.7-32.1-178.8-77.2-106.6000112.3V30 L31 V32 L38 L180 Y181V30-Y34 HydrophobicContact CB-CD2 4.31Å; V30-Y34 HydrophobicContact CB-CE2 4.15Å; V30-Y34 HydrophobicContact CG1-CD2 3.43Å; V30-Y34 VanDerWaalsContact CG1-CD2 3.43Å; V30-Y34 HydrophobicContact CG1-CE2 3Å; L31-Y34 PolarHBondContact O-N 3.37Å; V32-Y34 VanDerWaalsContact C-N 3.32Å; V32-Y34 PolarHBondContact O-N 3.42Å; Y34-L38 WeakPolarHBondContact O-CB 2.99Å; Y34-L38 PolarHBondContact O-N 2.95Å; Y34-L180 HydrophobicContact CD1-CD1 4.45Å; Y34-L180 HydrophobicContact CD1-CD2 4.25Å; Y34-L180 HydrophobicContact CD1-CG 3.94Å; Y34-L180 HydrophobicContact CE1-CD1 3.95Å; Y34-L180 HydrophobicContact CE1-CD2 4.49Å; Y34-L180 HydrophobicContact CE1-CG 3.72Å; Y34-L180 WeakPolarHBondContact CE1-O 3.29Å; Y34-Y181 HydrophobicContact CD1-CD1 4.43Å; Y34-Y181 AromaticContact CD1-CE1 3.89Å; Y34-Y181 HydrophobicContact CD1-CE1 3.89Å; Y34-Y181 PolarHBondContact O-OH 3.11Å; Y34-Y181 VanDerWaalsContact O-OH 3.11Å
35M66.1Low68.3Low47 Ų4769 Ų6923%0.23236%0.361CS..Hα-helixtrans-66.8-48.6175.9-72.3-173.976.500111.7C20 L31 G37 L38 Q39 I105 L108C20-M35 HydrophobicContact CB-SD 4.25Å; L31-M35 HydrophobicContact CD2-CG 3.86Å; L31-M35 HydrophobicContact CD2-SD 3.51Å; L31-M35 VanDerWaalsContact CD2-SD 3.51Å; L31-M35 HydrophobicContact CG-CG 4.05Å; L31-M35 HydrophobicContact CG-SD 4.25Å; L31-M35 WeakPolarHBondContact O-CG 3.12Å; L31-M35 PolarHBondContact O-N 3.29Å; M35-G37 VanDerWaalsContact C-N 3.3Å; M35-G37 PolarHBondContact O-N 3.27Å; M35-L38 PolarHBondContact O-N 3.28Å; M35-L38 VanDerWaalsContact O-N 3.17Å; M35-Q39 PolarHBondContact O-N 3.41Å; M35-I105 HydrophobicContact CE-CG2 4.16Å; M35-L108 HydrophobicContact CE-CD2 3.97Å; M35-L108 HydrophobicContact SD-CD2 4.18Å
36N76.8Confident70.5Confident106 Ų10665.8 Ų65.857%0.56734%0.342SS*.Hα-helixtrans-62.2-41.6177.2-69.6-3.7000110.9V32 Q39 I40V32-N36 PolarHBondContact O-N 3.41Å; N36-Q39 PolarHBondContact O-N 2.92Å; N36-I40 PolarHBondContact O-N 3.36Å
37G80.1Confident72.6Confident19 Ų1969.1 Ų69.120%0.19635%0.35CS..Hα-helixtrans-59.3-43.2173.200000112.8K33 M35 Q39 I40 L41K33-G37 PolarHBondContact O-N 3.25Å; M35-G37 VanDerWaalsContact C-N 3.3Å; M35-G37 PolarHBondContact O-N 3.27Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.3Å; G37-I40 WeakPolarHBondContact O-CG2 3.48Å; G37-L41 WeakPolarHBondContact O-CB 3.43Å; G37-L41 PolarHBondContact O-N 2.92Å
38L81.8Confident74.7Confident11 Ų1168.3 Ų68.36%0.05833%0.33CS..Hα-helixtrans-66.8-34.8179.2-163.752.3000112Y34 M35 L41 G42 A101 T104 I105 F116 Y181Y34-L38 WeakPolarHBondContact O-CB 2.99Å; Y34-L38 PolarHBondContact O-N 2.95Å; M35-L38 PolarHBondContact O-N 3.28Å; M35-L38 VanDerWaalsContact O-N 3.17Å; L38-L41 HydrophobicContact CD1-CD2 4.1Å; L38-G42 PolarHBondContact O-N 3.38Å; L38-A101 HydrophobicContact CD1-CB 3.98Å; L38-A101 HydrophobicContact CG-CB 4.46Å; L38-T104 HydrophobicContact CD2-CG2 4.02Å; L38-I105 HydrophobicContact CB-CD1 3.99Å; L38-I105 HydrophobicContact CB-CG1 3.84Å; L38-I105 HydrophobicContact CD2-CD1 4.44Å; L38-I105 HydrophobicContact CD2-CG1 3.55Å; L38-I105 HydrophobicContact CG-CD1 3.95Å; L38-I105 HydrophobicContact CG-CG1 3.61Å; L38-F116 HydrophobicContact CD1-CD1 4.42Å; L38-F116 HydrophobicContact CD1-CE1 3.95Å; L38-F116 HydrophobicContact CD1-CZ 4.22Å; L38-Y181 VanDerWaalsContact CB-OH 3.25Å; L38-Y181 WeakPolarHBondContact CB-OH 3.39Å; L38-Y181 HydrophobicContact CD1-CE2 3.84Å; L38-Y181 WeakPolarHBondContact CD1-OH 3.42Å
39Q85.2Confident76.8Confident115 Ų11564.6 Ų64.654%0.53731%0.312SS..Hα-helixtrans-67.2-49.8179.1-168.9177.61.600111.6M35 N36 G37 L41 G42 F43 I105M35-Q39 PolarHBondContact O-N 3.41Å; N36-Q39 PolarHBondContact O-N 2.92Å; G37-Q39 VanDerWaalsContact C-N 3.32Å; G37-Q39 PolarHBondContact O-N 3.3Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.17Å; Q39-G42 PolarHBondContact O-N 3.02Å; Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.83Å; Q39-I105 VanDerWaalsContact CA-CD1 3.41Å; Q39-I105 HydrophobicContact CB-CD1 3.82Å; Q39-I105 HydrophobicContact CG-CD1 4.36Å
40I87.4Confident79Confident107 Ų10759.7 Ų59.755%0.54930%0.302SS..Hα-helixtrans-64.2-37.3177.5-171.761.7000111.1N36 G37 S44N36-I40 PolarHBondContact O-N 3.36Å; G37-I40 WeakPolarHBondContact O-CG2 3.48Å; I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.41Å; I40-S44 PolarHBondContact O-N 3.18Å; I40-S44 PolarHBondContact O-OG 3.08Å
41L87.6Confident80.8Confident9 Ų958.8 Ų58.85%0.04730%0.299CS..Hα-helixtrans-67.3-45.5177.7-170.5116.5000111.4G37 L38 Q39 S44 F45 F116 P173 T176 Y181G37-L41 WeakPolarHBondContact O-CB 3.43Å; G37-L41 PolarHBondContact O-N 2.92Å; L38-L41 HydrophobicContact CD1-CD2 4.1Å; Q39-L41 VanDerWaalsContact C-N 3.28Å; Q39-L41 PolarHBondContact O-N 3.17Å; L41-S44 PolarHBondContact O-N 3.47Å; L41-F45 HydrophobicContact CD1-CE2 4.32Å; L41-F45 HydrophobicContact CD2-CD2 3.94Å; L41-F45 HydrophobicContact CD2-CE2 3.54Å; L41-F45 HydrophobicContact CG-CD2 3.91Å; L41-F45 HydrophobicContact CG-CE2 3.62Å; L41-F45 WeakPolarHBondContact O-CD2 3.25Å; L41-F45 PolarHBondContact O-N 3.24Å; L41-F116 HydrophobicContact CD2-CE1 4.06Å; L41-F116 HydrophobicContact CD2-CE2 4.45Å; L41-F116 HydrophobicContact CD2-CZ 3.46Å; L41-F116 VanDerWaalsContact CD2-CZ 3.46Å; L41-P173 HydrophobicContact CD1-CB 4.48Å; L41-P173 WeakPolarHBondContact CD1-O 3.44Å; L41-T176 HydrophobicContact CD1-CG2 4.21Å; L41-Y181 HydrophobicContact CD2-CE2 4.47Å
42G87.6Confident82.4Confident0 Ų058.3 Ų58.30%030%0.297CS..Hα-helixtrans-61.5-43.1175.600000112.6L38 Q39 F45 A46L38-G42 PolarHBondContact O-N 3.38Å; Q39-G42 PolarHBondContact O-N 3.02Å; G42-F45 PolarHBondContact O-N 3.38Å; G42-A46 WeakPolarHBondContact O-CB 3.38Å; G42-A46 PolarHBondContact O-N 3.17Å
43F89.9Confident84.2Confident137 Ų13756.3 Ų56.360%0.60129%0.287SS*.Hα-helixtrans-64.3-44.5174.7-172.9-96.6000112Q39 F45 A46 F47Q39-F43 WeakPolarHBondContact O-CB 3.37Å; Q39-F43 PolarHBondContact O-N 2.83Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.01Å; F43-A46 PolarHBondContact O-N 3.47Å; F43-F47 PolarHBondContact O-N 2.86Å
44S89.6Confident85.6Confident32 Ų3254.6 Ų54.622%0.22428%0.28CS..Hα-helixtrans-60.1-44.3176.9-58.80000111.2I40 L41 F47 F48I40-S44 VanDerWaalsContact O-CB 3.31Å; I40-S44 WeakPolarHBondContact O-CB 3.41Å; I40-S44 PolarHBondContact O-N 3.18Å; I40-S44 PolarHBondContact O-OG 3.08Å; L41-S44 PolarHBondContact O-N 3.47Å; S44-F47 PolarHBondContact O-N 3.18Å; S44-F48 WeakPolarHBondContact O-CB 3.21Å; S44-F48 WeakPolarHBondContact O-CD2 3.08Å; S44-F48 PolarHBondContact O-N 3.45Å
45F89.8Confident86.6Confident0 Ų053.4 Ų53.40%028%0.277CS..Hα-helixtrans-64.3-41.2175.5-81.8-58000113.1L41 G42 F43 F47 G49 V94 F116 L120 P173 C174L41-F45 HydrophobicContact CD1-CE2 4.32Å; L41-F45 HydrophobicContact CD2-CD2 3.94Å; L41-F45 HydrophobicContact CD2-CE2 3.54Å; L41-F45 HydrophobicContact CG-CD2 3.91Å; L41-F45 HydrophobicContact CG-CE2 3.62Å; L41-F45 WeakPolarHBondContact O-CD2 3.25Å; L41-F45 PolarHBondContact O-N 3.24Å; G42-F45 PolarHBondContact O-N 3.38Å; F43-F45 VanDerWaalsContact C-N 3.34Å; F43-F45 PolarHBondContact O-N 3.01Å; F45-F47 VanDerWaalsContact C-N 3.31Å; F45-F47 PolarHBondContact O-N 3.05Å; F45-G49 WeakPolarHBondContact O-CA 3.44Å; F45-G49 PolarHBondContact O-N 2.87Å; F45-V94 HydrophobicContact CB-CG1 4.32Å; F45-V94 HydrophobicContact CD1-CG1 3.75Å; F45-V94 WeakPolarHBondContact O-CG1 3.43Å; F45-F116 HydrophobicContact CE2-CZ 4.31Å; F45-L120 HydrophobicContact CE1-CD2 4.32Å; F45-L120 HydrophobicContact CE2-CD2 3.7Å; F45-L120 HydrophobicContact CZ-CD2 3.38Å; F45-P173 HydrophobicContact CD1-CB 4.43Å; F45-P173 HydrophobicContact CD1-CG 4.23Å; F45-P173 HydrophobicContact CD2-CB 4.49Å; F45-P173 HydrophobicContact CE1-CB 4.09Å; F45-P173 HydrophobicContact CE1-CG 3.99Å; F45-P173 HydrophobicContact CE2-CB 4.11Å; F45-P173 VanDerWaalsContact CZ-C 3.45Å; F45-P173 HydrophobicContact CZ-CB 3.93Å; F45-P173 HydrophobicContact CZ-CG 4.32Å; F45-P173 WeakPolarHBondContact CZ-O 3.14Å; F45-C174 HydrophobicContact CE1-CB 4.29Å; F45-C174 HydrophobicContact CZ-CB 4.25Å
46A90.4Very high87.5Confident30 Ų3051.1 Ų51.125%0.24827%0.266CS..Hα-helixtrans-60.3-44.7175.700000111G42 F43 L50G42-A46 WeakPolarHBondContact O-CB 3.38Å; G42-A46 PolarHBondContact O-N 3.17Å; F43-A46 PolarHBondContact O-N 3.47Å; A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 2.95Å
47F91.2Very high87.9Confident128 Ų12850.3 Ų50.356%0.56126%0.261SS*.Hα-helixtrans-65-53.7179-177.4-98000112.6F43 S44 F45 G49 L50 A51F43-F47 PolarHBondContact O-N 2.86Å; S44-F47 PolarHBondContact O-N 3.18Å; F45-F47 VanDerWaalsContact C-N 3.31Å; F45-F47 PolarHBondContact O-N 3.05Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.36Å; F47-L50 PolarHBondContact O-N 3.41Å; F47-A51 WeakPolarHBondContact O-CB 3.16Å; F47-A51 PolarHBondContact O-N 3.47Å
48F90.1Very high88.1Confident42 Ų4251.2 Ų51.218%0.18426%0.261CS..Hα-helixtrans-64.5-35.5179-73.4-61.3000112.2S44 A51 S52 N166 L169 P173S44-F48 WeakPolarHBondContact O-CB 3.21Å; S44-F48 WeakPolarHBondContact O-CD2 3.08Å; S44-F48 PolarHBondContact O-N 3.45Å; F48-A51 PolarHBondContact O-N 2.95Å; F48-S52 PolarHBondContact O-N 3.38Å; F48-S52 PolarHBondContact O-OG 3.04Å; F48-N166 PolarHBondContact O-ND2 3.14Å; F48-L169 HydrophobicContact CD1-CB 4.39Å; F48-L169 HydrophobicContact CE1-CB 3.84Å; F48-L169 HydrophobicContact CE1-CD1 4.39Å; F48-L169 HydrophobicContact CZ-CB 4.28Å; F48-P173 HydrophobicContact CD2-CG 4.18Å; F48-P173 HydrophobicContact CE2-CG 4.47Å
49G89.7Confident87.9Confident0 Ų050.8 Ų50.80%026%0.259CS..Hα-helixtrans-63.4-48.2175.900000112.3F45 F47 S52 A53 V94F45-G49 WeakPolarHBondContact O-CA 3.44Å; F45-G49 PolarHBondContact O-N 2.87Å; F47-G49 VanDerWaalsContact C-N 3.3Å; F47-G49 PolarHBondContact O-N 3.36Å; G49-S52 VanDerWaalsContact CA-OG 3.3Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 3.41Å; G49-S52 PolarHBondContact O-OG 2.93Å; G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 2.97Å; G49-V94 VanDerWaalsContact CA-CG1 3.48Å
50L92.1Very high87.4Confident114 Ų11445.4 Ų45.460%0.59724%0.235SC*.Hα-helixtrans-59.7-46.8174.2-169.983.2000111.1A46 F47 S52 A53 F54 L95A46-L50 WeakPolarHBondContact O-CB 3.4Å; A46-L50 PolarHBondContact O-N 2.95Å; F47-L50 PolarHBondContact O-N 3.41Å; L50-S52 PolarHBondContact O-N 2.98Å; L50-A53 PolarHBondContact O-N 3.21Å; L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.29Å; L50-L95 HydrophobicContact CB-CD1 4.29Å
51A90.9Very high86.9Confident28 Ų2843.2 Ų43.223%0.23123%0.226CC..Hα-helixtrans-59.9-44.3177.500000111.8F47 F48 F54 L55F47-A51 WeakPolarHBondContact O-CB 3.16Å; F47-A51 PolarHBondContact O-N 3.47Å; F48-A51 PolarHBondContact O-N 2.95Å; A51-F54 PolarHBondContact O-N 3.25Å; A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.18Å; A51-L55 PolarHBondContact O-N 3.25Å
52S88.4Confident86.2Confident8 Ų846.7 Ų46.76%0.05624%0.244CC..Hα-helixtrans-66.1-39.8176.943.20000113.1F48 G49 L50 F54 G56 G91 N166F48-S52 PolarHBondContact O-N 3.38Å; F48-S52 PolarHBondContact O-OG 3.04Å; G49-S52 VanDerWaalsContact CA-OG 3.3Å; G49-S52 WeakPolarHBondContact CA-OG 3.34Å; G49-S52 PolarHBondContact O-N 3.41Å; G49-S52 PolarHBondContact O-OG 2.93Å; L50-S52 PolarHBondContact O-N 2.98Å; S52-F54 VanDerWaalsContact C-N 3.34Å; S52-G56 PolarHBondContact O-N 3.41Å; S52-G91 WeakPolarHBondContact OG-CA 3.36Å; S52-N166 WeakPolarHBondContact CA-ND2 3.42Å; S52-N166 VanDerWaalsContact CB-ND2 3.34Å; S52-N166 WeakPolarHBondContact CB-ND2 3.36Å; S52-N166 PolarHBondContact N-ND2 2.95Å; S52-N166 VanDerWaalsContact N-ND2 3.18Å
53A88.4Confident85.4Confident22 Ų2247.4 Ų47.418%0.18225%0.248CC..Hα-helixtrans-64.9-42177.500000110.8G49 L50 G56 L57G49-A53 WeakPolarHBondContact O-CB 3.27Å; G49-A53 PolarHBondContact O-N 2.97Å; L50-A53 PolarHBondContact O-N 3.21Å; A53-G56 PolarHBondContact O-N 2.96Å; A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.35Å
54F89.1Confident84.3Confident133 Ų13341.3 Ų41.358%0.58322%0.222SC*.Hα-helixtrans-66.2-48.7177.2-158.6-96.8000111.5L50 A51 S52 G56 L57 L58L50-F54 WeakPolarHBondContact O-CB 3.38Å; L50-F54 PolarHBondContact O-N 3.29Å; A51-F54 PolarHBondContact O-N 3.25Å; S52-F54 VanDerWaalsContact C-N 3.34Å; F54-G56 VanDerWaalsContact C-N 3.31Å; F54-G56 PolarHBondContact O-N 3.42Å; F54-L57 PolarHBondContact O-N 2.81Å; F54-L58 HydrophobicContact CD1-CD1 3.74Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD2 4.07Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 VanDerWaalsContact O-CG 3.31Å; F54-L58 WeakPolarHBondContact O-CG 3.08Å; F54-L58 PolarHBondContact O-N 3.47Å
55L87.2Confident83.3Confident33 Ų3342.2 Ų42.217%0.17323%0.228CC..Hα-helixtrans-60.1-40.8176.4-72.1170.2000112.2A51 L58 D59 F162 N166A51-L55 WeakPolarHBondContact O-CB 3.25Å; A51-L55 WeakPolarHBondContact O-CG 3.18Å; A51-L55 PolarHBondContact O-N 3.25Å; L55-L58 HydrophobicContact CD2-CD1 4.42Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-D59 WeakPolarHBondContact O-CB 3.33Å; L55-D59 PolarHBondContact O-N 3.42Å; L55-F162 HydrophobicContact CD2-CB 4.25Å; L55-N166 HydrophobicContact CD1-CB 3.75Å
56G84.5Confident82.2Confident0 Ų048.1 Ų48.10%026%0.259CS..Hα-helixtrans-64.2-38.7175.600000113.4S52 A53 F54 D59 S60 I88S52-G56 PolarHBondContact O-N 3.41Å; A53-G56 PolarHBondContact O-N 2.96Å; F54-G56 VanDerWaalsContact C-N 3.31Å; F54-G56 PolarHBondContact O-N 3.42Å; G56-D59 PolarHBondContact O-N 3.32Å; G56-S60 VanDerWaalsContact O-CB 3.29Å; G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 2.89Å; G56-S60 PolarHBondContact O-OG 3.02Å; G56-I88 VanDerWaalsContact C-CG1 3.48Å
57L85.5Confident80.7Confident88 Ų8848.8 Ų48.846%0.46126%0.262SS..Hα-helixtrans-69.6-39175.5-171.9146.5000111.5A53 F54 V61 L62A53-L57 WeakPolarHBondContact O-CB 3.41Å; A53-L57 PolarHBondContact O-N 3.35Å; F54-L57 PolarHBondContact O-N 2.81Å; L57-V61 WeakPolarHBondContact O-CA 3.49Å; L57-V61 WeakPolarHBondContact O-CB 3.47Å; L57-V61 PolarHBondContact O-N 3.48Å; L57-L62 PolarHBondContact O-N 3.17Å; L57-L62 VanDerWaalsContact O-N 3.13Å
58L83.8Confident79Confident38 Ų3846.9 Ų46.920%0.19926%0.262CS..Iπ-helixtrans-58.5-49.3172.6-69.1176.4000110.6F54 L55 L62 I63F54-L58 HydrophobicContact CD1-CD1 3.74Å; F54-L58 HydrophobicContact CD1-CG 4.02Å; F54-L58 HydrophobicContact CE1-CD1 3.8Å; F54-L58 HydrophobicContact CE1-CD2 4.07Å; F54-L58 HydrophobicContact CE1-CG 4.02Å; F54-L58 VanDerWaalsContact O-CG 3.31Å; F54-L58 WeakPolarHBondContact O-CG 3.08Å; F54-L58 PolarHBondContact O-N 3.47Å; L55-L58 HydrophobicContact CD2-CD1 4.42Å; L55-L58 WeakPolarHBondContact O-CB 3.47Å; L55-L58 PolarHBondContact O-N 2.79Å; L58-L62 HydrophobicContact CD2-CB 3.95Å; L58-L62 HydrophobicContact CD2-CD2 3.26Å; L58-L62 HydrophobicContact CD2-CG 4.21Å; L58-L62 PolarHBondContact O-N 2.75Å; L58-I63 VanDerWaalsContact O-CG1 3.3Å; L58-I63 WeakPolarHBondContact O-CG1 3.44Å; L58-I63 PolarHBondContact O-N 3.43Å
59D78.1Confident77.3Confident3 Ų350 Ų502%0.01629%0.285CS..Iπ-helixtrans-69.1-40.3-176.2-16056000113.2L55 G56 P64 N82 T159L55-D59 WeakPolarHBondContact O-CB 3.33Å; L55-D59 PolarHBondContact O-N 3.42Å; G56-D59 PolarHBondContact O-N 3.32Å; D59-P64 WeakPolarHBondContact O-CD 3.5Å; D59-N82 PolarHBondContact O-ND2 3.18Å; D59-T159 PolarHBondContact OD1-OG1 3.32Å
60S74.5Confident75.7Confident2 Ų255 Ų551%0.01431%0.312CS..Iπ-helixtrans-88.4-27-173.8-48.60000113.9G56G56-S60 VanDerWaalsContact O-CB 3.29Å; G56-S60 WeakPolarHBondContact O-CB 3.42Å; G56-S60 PolarHBondContact O-N 2.89Å; G56-S60 PolarHBondContact O-OG 3.02Å
61V76.1Confident74Confident61 Ų6155.3 Ų55.337%0.3732%0.323SS..Iπ-helixtrans-123.5-54.2-171.5-173.80000111.2L57 S65L57-V61 WeakPolarHBondContact O-CA 3.49Å; L57-V61 WeakPolarHBondContact O-CB 3.47Å; L57-V61 PolarHBondContact O-N 3.48Å; V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 2.91Å
62L73.9Confident72.2Confident81 Ų8160.9 Ų60.942%0.42435%0.349SS..Iπ-helixtrans-68.8-53.8-169.9-165.568000111.9L57 L58 S65 L66L57-L62 PolarHBondContact O-N 3.17Å; L57-L62 VanDerWaalsContact O-N 3.13Å; L58-L62 HydrophobicContact CD2-CB 3.95Å; L58-L62 HydrophobicContact CD2-CD2 3.26Å; L58-L62 HydrophobicContact CD2-CG 4.21Å; L58-L62 PolarHBondContact O-N 2.75Å; L62-S65 PolarHBondContact O-N 3Å; L62-S65 VanDerWaalsContact O-N 3.14Å; L62-S65 PolarHBondContact O-OG 3.39Å; L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CG-CD1 3.73Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 PolarHBondContact O-N 3.44Å
63I71.2Confident70.5Confident15 Ų1566.3 Ų66.38%0.07738%0.378CS..Hα-helixtrans-63.9-45.6-175.6-48.6159.8000111.5L58 S65 L66 I152 S155 H156 T159L58-I63 VanDerWaalsContact O-CG1 3.3Å; L58-I63 WeakPolarHBondContact O-CG1 3.44Å; L58-I63 PolarHBondContact O-N 3.43Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.11Å; I63-L66 PolarHBondContact O-N 2.87Å; I63-I152 HydrophobicContact CG2-CG2 4.34Å; I63-S155 WeakPolarHBondContact CG2-OG 3.46Å; I63-H156 WeakPolarHBondContact CG2-CE1 3.16Å; I63-H156 VanDerWaalsContact CG2-NE2 3.3Å; I63-H156 WeakPolarHBondContact CG2-NE2 3.31Å; I63-T159 HydrophobicContact CD1-CG2 3.4Å; I63-T159 VanDerWaalsContact CD1-CG2 3.4Å; I63-T159 WeakPolarHBondContact CD1-OG1 3.46Å; I63-T159 HydrophobicContact CG1-CG2 4.39Å
64P66.4Low68.8Low9 Ų975.5 Ų75.56%0.05841%0.409CS..Hα-helixtrans-59-37.5172.5-28.740000113.7D59 L66 S67 P75D59-P64 WeakPolarHBondContact O-CD 3.5Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 3.32Å; P64-S67 CarbonylContact O-C 3.33Å; P64-S67 PolarHBondContact O-N 2.88Å; P64-P75 WeakPolarHBondContact CB-O 3.45Å
65S68Low67.3Low52 Ų5271.8 Ų71.836%0.36440%0.399SS..Hα-helixtrans-66.3-26.6178.773.20000114.4V61 L62 I63 S67V61-S65 WeakPolarHBondContact O-CB 3.44Å; V61-S65 PolarHBondContact O-N 3.28Å; V61-S65 PolarHBondContact O-OG 2.91Å; L62-S65 PolarHBondContact O-N 3Å; L62-S65 VanDerWaalsContact O-N 3.14Å; L62-S65 PolarHBondContact O-OG 3.39Å; I63-S65 VanDerWaalsContact C-N 3.31Å; I63-S65 PolarHBondContact O-N 3.11Å; S65-S67 VanDerWaalsContact C-N 3.3Å
66L66.8Low65.8Low123 Ų12372.9 Ų72.964%0.64441%0.406SS*.Hα-helixtrans-77-16.3176.7-86.6105.8000113.1L62 I63 P64L62-L66 HydrophobicContact CD1-CD1 4.02Å; L62-L66 HydrophobicContact CG-CD1 3.73Å; L62-L66 WeakPolarHBondContact O-CD1 3.3Å; L62-L66 PolarHBondContact O-N 3.44Å; I63-L66 PolarHBondContact O-N 2.87Å; P64-L66 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 3.32Å
67S59.3Low64.6Low44 Ų4477.7 Ų77.731%0.30843%0.429SS..SBendtrans-136.273-179.4-168.30000110.4P64 S65 T69P64-S67 CarbonylContact O-C 3.33Å; P64-S67 PolarHBondContact O-N 2.88Å; S65-S67 VanDerWaalsContact C-N 3.3Å; S67-T69 PolarHBondContact O-N 2.84Å
68P55.6Low63.3Low88 Ų8879 Ų7957%0.57143%0.431SS*.  trans-62.7104.6173.926.6-32.4000108.6D70P68-D70 PolarHBondContact O-N 2.95Å
69T54.8Low62.3Low107 Ų10779.5 Ų79.566%0.65644%0.438SS*.SBendtrans-66.4-28.1177.3-23.90000110.8S67S67-T69 PolarHBondContact O-N 2.84Å
70D55.1Low61.3Low107 Ų10781.4 Ų81.457%0.57245%0.448SS*.SBendtrans-135.1132.8176.7-76.8-42000111.4P68 N72P68-D70 PolarHBondContact O-N 2.95Å; D70-N72 PolarHBondContact O-N 2.96Å; D70-N72 VanDerWaalsContact O-N 3.11Å
71S56.6Low60.7Low119 Ų11982 Ų8283%0.83245%0.452SS*.THydrogen-bonded Turntrans-65.4-11.8-177.853.60000115.2
72N52.5Low59.9Low145 Ų14579.3 Ų79.378%0.77544%0.436SS*.THydrogen-bonded Turntrans-121.3-5.6-170.4-79.9-13.3000115.5D70D70-N72 PolarHBondContact O-N 2.96Å; D70-N72 VanDerWaalsContact O-N 3.11Å
73N53.3Low59.4Low122 Ų12275.7 Ų75.765%0.65242%0.418SS*.SBendtrans-109.4131.1177.7-77-19000109.9
74Y52.5Low59.3Low215 Ų21581.3 Ų81.384%0.84344%0.439SS*.  trans-44.9129.8175.5-86.9-94.4000109.7V76Y74-V76 PolarHBondContact O-N 3.05Å
75P57.6Low59.8Low56 Ų5680.9 Ų80.936%0.36444%0.437SS..SBendtrans-7322.8-172.230.9-37.2000113.1P64 E77P64-P75 WeakPolarHBondContact CB-O 3.45Å; P75-E77 PolarHBondContact O-N 3.45Å
76V55.8Low60.5Low55 Ų5579.8 Ų79.833%0.33343%0.427SS..  trans-97.492.2176.4-1710000108.1Y74 F78Y74-V76 PolarHBondContact O-N 3.05Å; V76-F78 HydrophobicContact CB-CE2 4.28Å; V76-F78 HydrophobicContact CG1-CD2 3.93Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.37Å; V76-F78 HydrophobicContact CG1-CG 4.47Å; V76-F78 HydrophobicContact CG1-CZ 3.42Å; V76-F78 VanDerWaalsContact CG1-CZ 3.42Å; V76-F78 PolarHBondContact O-N 2.96Å
77E58.5Low61.3Low101 Ų10174 Ų7447%0.47240%0.397SS..  trans-85.199174.8-70.4-167.8175.100110.7P75 S79 N82P75-E77 PolarHBondContact O-N 3.45Å; E77-S79 PolarHBondContact O-N 2.89Å; E77-N82 PolarHBondContact O-ND2 3.27Å
78F59.1Low62.6Low117 Ų11774.2 Ų74.251%0.51339%0.394SS..  trans-79.164.6166.4-64.4-70.9000110.5V76 Y84V76-F78 HydrophobicContact CB-CE2 4.28Å; V76-F78 HydrophobicContact CG1-CD2 3.93Å; V76-F78 HydrophobicContact CG1-CE1 4.01Å; V76-F78 HydrophobicContact CG1-CE2 3.37Å; V76-F78 HydrophobicContact CG1-CG 4.47Å; V76-F78 HydrophobicContact CG1-CZ 3.42Å; V76-F78 VanDerWaalsContact CG1-CZ 3.42Å; V76-F78 PolarHBondContact O-N 2.96Å; F78-Y84 HydrophobicContact CB-CD1 4.23Å; F78-Y84 WeakPolarHBondContact O-CD1 3.18Å; F78-Y84 WeakPolarHBondContact O-CE1 3.44Å
79S62.8Low64.1Low48 Ų4877.8 Ų77.834%0.33640%0.397SS..  trans-82.7154.2175-174.30000111.1E77 A81 N82 G83 Y84E77-S79 PolarHBondContact O-N 2.89Å; S79-A81 PolarHBondContact O-N 3.16Å; S79-A81 VanDerWaalsContact O-N 3.11Å; S79-N82 PolarHBondContact O-N 3.3Å; S79-G83 PolarHBondContact O-N 3.19Å; S79-Y84 PolarHBondContact O-N 3.33Å
80L57.7Low65.6Low43 Ų4373.1 Ų73.123%0.22537%0.369CS..G310 helixtrans-51.9-32.1170-177.666.9000111.2N82 G83 Y84 Y140L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.39Å; L80-G83 PolarHBondContact O-N 3.36Å; L80-Y84 HydrophobicContact CB-CE2 4.44Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; L80-Y140 HydrophobicContact CD2-CD2 4.01Å; L80-Y140 HydrophobicContact CD2-CE2 4.47Å
81A60.6Low67.2Low13 Ų1368 Ų6811%0.10734%0.342CS..G310 helixtrans-67.6-27.4179.200000113.5S79 G83 N142 R160S79-A81 PolarHBondContact O-N 3.16Å; S79-A81 VanDerWaalsContact O-N 3.11Å; A81-G83 VanDerWaalsContact C-N 3.33Å; A81-N142 HydrophobicContact CB-CB 4.1Å; A81-R160 VanDerWaalsContact CB-CZ 3.45Å; A81-R160 PolarHBondContact O-NE 3.41Å
82N60.6Low68.9Low6 Ų667.6 Ų67.63%0.03233%0.327CS..G310 helixtrans-94.17172.8-63.7-2000111.6D59 E77 S79 L80 Y84 G85 R160D59-N82 PolarHBondContact O-ND2 3.18Å; E77-N82 PolarHBondContact O-ND2 3.27Å; S79-N82 PolarHBondContact O-N 3.3Å; L80-N82 VanDerWaalsContact C-N 3.3Å; L80-N82 PolarHBondContact O-N 3.39Å; N82-Y84 PolarHBondContact O-N 3.15Å; N82-G85 PolarHBondContact O-N 3.17Å; N82-R160 PolarHBondContact OD1-NE 3.31Å; N82-R160 PolarHBondContact OD1-NH2 2.95Å
83G63Low70.7Confident5 Ų562.7 Ų62.75%0.05230%0.301CS..G310 helixtrans57.631.2-175.900000113.4S79 L80 A81 G85 L86S79-G83 PolarHBondContact O-N 3.19Å; L80-G83 PolarHBondContact O-N 3.36Å; A81-G83 VanDerWaalsContact C-N 3.33Å; G83-G85 PolarHBondContact O-N 2.68Å; G83-G85 VanDerWaalsContact O-N 3.14Å; G83-L86 VanDerWaalsContact O-CB 3.32Å; G83-L86 WeakPolarHBondContact O-CB 3.44Å; G83-L86 PolarHBondContact O-N 2.95Å
84Y69.4Low72.5Confident132 Ų13257 Ų5752%0.51827%0.271SS..G310 helixtrans55.228.3-176.6-58-81.3000114.7F78 S79 L80 N82 L86F78-Y84 HydrophobicContact CB-CD1 4.23Å; F78-Y84 WeakPolarHBondContact O-CD1 3.18Å; F78-Y84 WeakPolarHBondContact O-CE1 3.44Å; S79-Y84 PolarHBondContact O-N 3.33Å; L80-Y84 HydrophobicContact CB-CE2 4.44Å; L80-Y84 HydrophobicContact CD1-CE2 3.79Å; N82-Y84 PolarHBondContact O-N 3.15Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 2.89Å
85G76.9Confident74.4Confident1 Ų149.6 Ų49.61%0.0125%0.246CC..G310 helixtrans73.814.4-178.100000114.1N82 G83 I88 Y89N82-G85 PolarHBondContact O-N 3.17Å; G83-G85 PolarHBondContact O-N 2.68Å; G83-G85 VanDerWaalsContact O-N 3.14Å; G85-I88 WeakPolarHBondContact O-CB 3.45Å; G85-I88 PolarHBondContact O-N 2.7Å; G85-Y89 WeakPolarHBondContact O-CD2 3.32Å
86L82.5Confident76Confident29 Ų2949.5 Ų49.515%0.15225%0.246CC..Hα-helixtrans-50.3-36172.8-136.695.2000114.1G83 Y84 I88 Y89 T90 L126 V129 Y130G83-L86 VanDerWaalsContact O-CB 3.32Å; G83-L86 WeakPolarHBondContact O-CB 3.44Å; G83-L86 PolarHBondContact O-N 2.95Å; Y84-L86 VanDerWaalsContact C-N 3.26Å; Y84-L86 PolarHBondContact O-N 2.89Å; L86-I88 PolarHBondContact O-N 2.95Å; L86-Y89 PolarHBondContact O-N 3.42Å; L86-T90 HydrophobicContact CD2-CG2 4.1Å; L86-T90 HydrophobicContact CG-CG2 4.36Å; L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 VanDerWaalsContact O-CG2 3.23Å; L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.37Å; L86-L126 WeakPolarHBondContact CD2-O 3.38Å; L86-V129 HydrophobicContact CD2-CB 4.45Å; L86-V129 HydrophobicContact CD2-CG1 4.2Å; L86-Y130 HydrophobicContact CB-CD2 4.17Å; L86-Y130 HydrophobicContact CD2-CD2 4.25Å; L86-Y130 HydrophobicContact CD2-CG 4.37Å
87P83.5Confident77.6Confident2 Ų246.9 Ų46.91%0.01323%0.23CC..Hα-helixtrans-55.5-32.9174.4-30.738.5000114.4T90 G91 Y130 T163P87-T90 VanDerWaalsContact C-OG1 3.3Å; P87-T90 WeakPolarHBondContact CA-OG1 3.49Å; P87-T90 PolarHBondContact O-OG1 3.47Å; P87-G91 PolarHBondContact O-N 3.4Å; P87-Y130 HydrophobicContact CG-CD2 4.2Å; P87-Y130 HydrophobicContact CG-CE2 3.53Å; P87-T163 HydrophobicContact CB-CG2 3.7Å; P87-T163 HydrophobicContact CG-CG2 3.73Å
88I85.6Confident79.1Confident48 Ų4842.1 Ų42.125%0.24621%0.208CC..Hα-helixtrans-71-48.8178.1-57.5173.4000109.6G56 G85 L86 G91 M92G56-I88 VanDerWaalsContact C-CG1 3.48Å; G85-I88 WeakPolarHBondContact O-CB 3.45Å; G85-I88 PolarHBondContact O-N 2.7Å; L86-I88 PolarHBondContact O-N 2.95Å; I88-G91 PolarHBondContact O-N 3.5Å; I88-M92 WeakPolarHBondContact O-CG 3.16Å; I88-M92 PolarHBondContact O-N 3.38Å
89Y87Confident80.6Confident162 Ų16239.3 Ų39.364%0.63521%0.206SC*.Hα-helixtrans-63.7-44.7179.1-68.3-71.3000112.2G85 L86 G91 M92 L93G85-Y89 WeakPolarHBondContact O-CD2 3.32Å; L86-Y89 PolarHBondContact O-N 3.42Å; Y89-G91 VanDerWaalsContact C-N 3.35Å; Y89-M92 PolarHBondContact O-N 2.8Å; Y89-L93 WeakPolarHBondContact O-CB 3.35Å; Y89-L93 PolarHBondContact O-N 3.07Å
90T88Confident81.8Confident10 Ų1040.6 Ų40.66%0.06121%0.208CC..Hα-helixtrans-60.9-45175.454.80000110.5L86 P87 M92 L93 V94 L126L86-T90 HydrophobicContact CD2-CG2 4.1Å; L86-T90 HydrophobicContact CG-CG2 4.36Å; L86-T90 WeakPolarHBondContact O-CB 3.46Å; L86-T90 VanDerWaalsContact O-CG2 3.23Å; L86-T90 WeakPolarHBondContact O-CG2 3.41Å; L86-T90 PolarHBondContact O-N 3.22Å; L86-T90 PolarHBondContact O-OG1 3.37Å; P87-T90 VanDerWaalsContact C-OG1 3.3Å; P87-T90 WeakPolarHBondContact CA-OG1 3.49Å; P87-T90 PolarHBondContact O-OG1 3.47Å; T90-M92 PolarHBondContact O-N 3.12Å; T90-L93 PolarHBondContact O-N 3.37Å; T90-V94 WeakPolarHBondContact O-CB 3.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.21Å; T90-L126 HydrophobicContact CG2-CB 3.8Å
91G88.9Confident83.2Confident0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-63.7-42.5178.600000114S52 P87 I88 Y89 L93 V94 L95S52-G91 WeakPolarHBondContact OG-CA 3.36Å; P87-G91 PolarHBondContact O-N 3.4Å; I88-G91 PolarHBondContact O-N 3.5Å; Y89-G91 VanDerWaalsContact C-N 3.35Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 2.81Å; G91-V94 PolarHBondContact O-N 3.13Å; G91-L95 VanDerWaalsContact O-CB 3.31Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 PolarHBondContact O-N 3.41Å
92M91.1Very high84.4Confident109 Ų10941.2 Ų41.254%0.53721%0.21SC..Hα-helixtrans-63.8-38.2173.9-70.7-60.9-7100112I88 Y89 T90 L95 S96I88-M92 WeakPolarHBondContact O-CG 3.16Å; I88-M92 PolarHBondContact O-N 3.38Å; Y89-M92 PolarHBondContact O-N 2.8Å; T90-M92 PolarHBondContact O-N 3.12Å; M92-L95 PolarHBondContact O-N 3.42Å; M92-S96 WeakPolarHBondContact O-CB 3.32Å; M92-S96 PolarHBondContact O-N 3.42Å; M92-S96 PolarHBondContact O-OG 2.73Å
93L89.7Confident85.6Confident42 Ų4248.4 Ų48.422%0.2224%0.236CC..Hα-helixtrans-71.4-38.6178.3-157.1144.2000111.5Y89 T90 G91 S96 T97 L122 V123 L126Y89-L93 WeakPolarHBondContact O-CB 3.35Å; Y89-L93 PolarHBondContact O-N 3.07Å; T90-L93 PolarHBondContact O-N 3.37Å; G91-L93 VanDerWaalsContact C-N 3.32Å; G91-L93 PolarHBondContact O-N 2.81Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-N 2.91Å; L93-S96 PolarHBondContact O-OG 2.84Å; L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.31Å; L93-T97 PolarHBondContact O-N 3.38Å; L93-T97 PolarHBondContact O-OG1 3.5Å; L93-L122 HydrophobicContact CD1-CB 4.4Å; L93-L122 HydrophobicContact CD2-CB 4.11Å; L93-V123 HydrophobicContact CD2-CB 4.13Å; L93-V123 HydrophobicContact CD2-CG2 3.2Å; L93-L126 HydrophobicContact CB-CD1 4.43Å; L93-L126 HydrophobicContact CD1-CD1 3.69Å; L93-L126 HydrophobicContact CG-CD1 4.48Å
94V91.5Very high86.5Confident2 Ų248.6 Ų48.61%0.01224%0.236CC..Hα-helixtrans-63.8-45172.9172.40000111.1F45 G49 T90 G91 T97 G98 V123F45-V94 HydrophobicContact CB-CG1 4.32Å; F45-V94 HydrophobicContact CD1-CG1 3.75Å; F45-V94 WeakPolarHBondContact O-CG1 3.43Å; G49-V94 VanDerWaalsContact CA-CG1 3.48Å; T90-V94 WeakPolarHBondContact O-CB 3.42Å; T90-V94 WeakPolarHBondContact O-CG2 3.47Å; T90-V94 PolarHBondContact O-N 3.21Å; G91-V94 PolarHBondContact O-N 3.13Å; V94-T97 WeakPolarHBondContact O-CB 3.26Å; V94-T97 PolarHBondContact O-N 2.86Å; V94-G98 PolarHBondContact O-N 2.95Å; V94-V123 HydrophobicContact CG2-CG1 3.61Å; V94-V123 HydrophobicContact CG2-CG2 4.1Å
95L92.1Very high87.1Confident61 Ų6143.8 Ų43.832%0.31922%0.219SC..Hα-helixtrans-60.1-48.6176.3-170.990.1000111.2L50 G91 M92 T97 G98 A99L50-L95 HydrophobicContact CB-CD1 4.29Å; G91-L95 VanDerWaalsContact O-CB 3.31Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 PolarHBondContact O-N 3.41Å; M92-L95 PolarHBondContact O-N 3.42Å; L95-T97 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.94Å; L95-G98 PolarHBondContact O-N 3.5Å; L95-A99 PolarHBondContact O-N 3.27Å
96S91.3Very high87.4Confident54 Ų5450.5 Ų50.538%0.37825%0.254SS..Hα-helixtrans-63.5-35.3177.165.90000112.1M92 L93 A99 M100M92-S96 WeakPolarHBondContact O-CB 3.32Å; M92-S96 PolarHBondContact O-N 3.42Å; M92-S96 PolarHBondContact O-OG 2.73Å; L93-S96 WeakPolarHBondContact CA-OG 3.46Å; L93-S96 PolarHBondContact O-N 2.91Å; L93-S96 PolarHBondContact O-OG 2.84Å; S96-A99 PolarHBondContact O-N 3.12Å; S96-M100 WeakPolarHBondContact O-CB 3.42Å; S96-M100 WeakPolarHBondContact O-CG 3.4Å; S96-M100 PolarHBondContact O-N 3.48Å
97T90.5Very high87.2Confident0 Ų051.2 Ų51.20%026%0.261CS..Hα-helixtrans-64.8-42.8173.5-58.70000111.4L93 V94 L95 M100 A101 F116 S119 L120 V123L93-T97 VanDerWaalsContact O-CB 3.31Å; L93-T97 WeakPolarHBondContact O-CB 3.31Å; L93-T97 PolarHBondContact O-N 3.38Å; L93-T97 PolarHBondContact O-OG1 3.5Å; V94-T97 WeakPolarHBondContact O-CB 3.26Å; V94-T97 PolarHBondContact O-N 2.86Å; L95-T97 VanDerWaalsContact C-N 3.29Å; L95-T97 PolarHBondContact O-N 2.94Å; T97-M100 PolarHBondContact O-N 3.3Å; T97-A101 PolarHBondContact O-N 3.25Å; T97-F116 HydrophobicContact CG2-CD2 3.93Å; T97-F116 HydrophobicContact CG2-CE2 3.57Å; T97-S119 PolarHBondContact OG1-OG 3.44Å; T97-L120 HydrophobicContact CG2-CD2 3.96Å; T97-L120 HydrophobicContact CG2-CG 4.39Å; T97-V123 HydrophobicContact CG2-CG2 4.38Å; T97-V123 WeakPolarHBondContact OG1-CG2 3.3Å
98G89.8Confident86.5Confident0 Ų053.9 Ų53.90%028%0.275CS..Hα-helixtrans-62.3-43.6173.600000112.7V94 L95 M100 A101 L102V94-G98 PolarHBondContact O-N 2.95Å; L95-G98 PolarHBondContact O-N 3.5Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å; G98-A101 WeakPolarHBondContact O-CB 3.33Å; G98-A101 PolarHBondContact O-N 2.94Å; G98-L102 PolarHBondContact O-N 3.28Å
99A90Very high86.1Confident58 Ų5859.8 Ų59.848%0.47929%0.294SS..Hα-helixtrans-62.7-39.1174.200000112.2L95 S96 L102 R103L95-A99 PolarHBondContact O-N 3.27Å; S96-A99 PolarHBondContact O-N 3.12Å; A99-L102 PolarHBondContact O-N 3.29Å; A99-R103 WeakPolarHBondContact O-CB 3.34Å; A99-R103 PolarHBondContact O-N 3.4Å
100M87.7Confident85.3Confident75 Ų7555 Ų5537%0.36928%0.275SS..Hα-helixtrans-66-36.2173.7-72.9-69.1-177.900112.2S96 T97 G98 R103 T104S96-M100 WeakPolarHBondContact O-CB 3.42Å; S96-M100 WeakPolarHBondContact O-CG 3.4Å; S96-M100 PolarHBondContact O-N 3.48Å; T97-M100 PolarHBondContact O-N 3.3Å; G98-M100 VanDerWaalsContact C-N 3.33Å; G98-M100 PolarHBondContact O-N 3.5Å; M100-R103 PolarHBondContact O-N 2.89Å; M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.88Å; M100-T104 PolarHBondContact O-OG1 3.44Å
101A86.6Confident84.7Confident0 Ų059 Ų590%030%0.299CS..Hα-helixtrans-60.1-51.1173.500000110.6L38 T97 G98 R103 T104 I105 F116L38-A101 HydrophobicContact CD1-CB 3.98Å; L38-A101 HydrophobicContact CG-CB 4.46Å; T97-A101 PolarHBondContact O-N 3.25Å; G98-A101 WeakPolarHBondContact O-CB 3.33Å; G98-A101 PolarHBondContact O-N 2.94Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.18Å; A101-T104 WeakPolarHBondContact O-CB 3.5Å; A101-T104 PolarHBondContact O-N 3.33Å; A101-I105 WeakPolarHBondContact O-CG1 3.42Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.12Å; A101-F116 HydrophobicContact CB-CD2 3.87Å; A101-F116 HydrophobicContact CB-CE2 3.52Å; A101-F116 HydrophobicContact CB-CZ 4.1Å
102L86.6Confident84.2Confident70 Ų7059.9 Ų59.937%0.36631%0.305SS..Hα-helixtrans-60.2-42.7177.6-67.7172.9000112G98 A99 T104 I105 I106G98-L102 PolarHBondContact O-N 3.28Å; A99-L102 PolarHBondContact O-N 3.29Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.43Å; L102-I105 HydrophobicContact CD2-CD1 4.24Å; L102-I105 WeakPolarHBondContact O-CB 3.36Å; L102-I105 PolarHBondContact O-N 3.31Å; L102-I106 PolarHBondContact O-N 2.92Å
103R85.3Confident83.6Confident157 Ų15755.8 Ų55.859%0.59229%0.286SS*.Hα-helixtrans-61.8-36.4174.9-175176.7-177.4163.14.8112.4A99 M100 A101 I105 I106 S107A99-R103 WeakPolarHBondContact O-CB 3.34Å; A99-R103 PolarHBondContact O-N 3.4Å; M100-R103 PolarHBondContact O-N 2.89Å; A101-R103 VanDerWaalsContact C-N 3.34Å; A101-R103 PolarHBondContact O-N 3.18Å; R103-I105 VanDerWaalsContact C-N 3.33Å; R103-I106 PolarHBondContact O-N 2.94Å; R103-S107 VanDerWaalsContact O-CB 3.26Å; R103-S107 WeakPolarHBondContact O-CB 3.09Å; R103-S107 PolarHBondContact O-N 3.3Å; R103-S107 PolarHBondContact O-OG 3.18Å
104T81.9Confident83.1Confident9 Ų960.1 Ų60.16%0.05530%0.299CS..Hα-helixtrans-65.9-37.7178.2-58.10000111.1L38 M100 A101 L102 L108 S112 L113L38-T104 HydrophobicContact CD2-CG2 4.02Å; M100-T104 WeakPolarHBondContact O-CB 3.48Å; M100-T104 PolarHBondContact O-N 2.88Å; M100-T104 PolarHBondContact O-OG1 3.44Å; A101-T104 WeakPolarHBondContact O-CB 3.5Å; A101-T104 PolarHBondContact O-N 3.33Å; L102-T104 VanDerWaalsContact C-N 3.27Å; L102-T104 PolarHBondContact O-N 3.43Å; T104-L108 PolarHBondContact O-N 3.44Å; T104-S112 WeakPolarHBondContact OG1-CB 3.12Å; T104-L113 HydrophobicContact CG2-CB 3.96Å
105I82.8Confident82.7Confident30 Ų3068.6 Ų68.615%0.15433%0.331CS..Hα-helixtrans-62.3-45.1174.8-59.3165.5000110.9M35 L38 Q39 A101 L102 R103M35-I105 HydrophobicContact CE-CG2 4.16Å; L38-I105 HydrophobicContact CB-CD1 3.99Å; L38-I105 HydrophobicContact CB-CG1 3.84Å; L38-I105 HydrophobicContact CD2-CD1 4.44Å; L38-I105 HydrophobicContact CD2-CG1 3.55Å; L38-I105 HydrophobicContact CG-CD1 3.95Å; L38-I105 HydrophobicContact CG-CG1 3.61Å; Q39-I105 VanDerWaalsContact CA-CD1 3.41Å; Q39-I105 HydrophobicContact CB-CD1 3.82Å; Q39-I105 HydrophobicContact CG-CD1 4.36Å; A101-I105 WeakPolarHBondContact O-CG1 3.42Å; A101-I105 PolarHBondContact O-N 2.89Å; A101-I105 VanDerWaalsContact O-N 3.12Å; L102-I105 HydrophobicContact CD2-CD1 4.24Å; L102-I105 WeakPolarHBondContact O-CB 3.36Å; L102-I105 PolarHBondContact O-N 3.31Å; R103-I105 VanDerWaalsContact C-N 3.33Å
106I82Confident82.4Confident143 Ų14365.7 Ų65.773%0.73332%0.316SS*.Hα-helixtrans-71-41.9-179.1-61.9166.1000111L102 R103L102-I106 PolarHBondContact O-N 2.92Å; R103-I106 PolarHBondContact O-N 2.94Å
107S79.3Confident82.1Confident43 Ų4364.3 Ų64.330%0.30130%0.302SS..Hα-helixtrans-78.7-26.1-173.2-55.90000112.8R103 R109R103-S107 VanDerWaalsContact O-CB 3.26Å; R103-S107 WeakPolarHBondContact O-CB 3.09Å; R103-S107 PolarHBondContact O-N 3.3Å; R103-S107 PolarHBondContact O-OG 3.18Å; S107-R109 WeakPolarHBondContact O-CG 3.42Å; S107-R109 PolarHBondContact O-N 3.23Å
108L69.6Low81.8Confident59 Ų5967.8 Ų67.831%0.30932%0.324SS..  trans49.931.1-174.9-70.4157000113.1L22 L31 M35 T104L22-L108 HydrophobicContact CD1-CB 3.98Å; L22-L108 HydrophobicContact CD1-CD2 3.88Å; L22-L108 WeakPolarHBondContact CD1-O 3.46Å; L31-L108 HydrophobicContact CD2-CD2 3.82Å; M35-L108 HydrophobicContact CE-CD2 3.97Å; M35-L108 HydrophobicContact SD-CD2 4.18Å; T104-L108 PolarHBondContact O-N 3.44Å
109R75.9Confident81.8Confident171 Ų17168.7 Ų68.765%0.64533%0.33SS*.  trans-103.4136-178.2-74.2173.8-169.5-161.41.6111.4S107 T111 S112 L113S107-R109 WeakPolarHBondContact O-CG 3.42Å; S107-R109 PolarHBondContact O-N 3.23Å; R109-T111 VanDerWaalsContact C-N 3.29Å; R109-T111 PolarHBondContact O-N 3.05Å; R109-S112 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 2.95Å; R109-L113 PolarHBondContact O-N 3.46Å
110Y70Confident81.7Confident63 Ų6365.9 Ų65.925%0.24731%0.307CS..Hα-helixtrans-62.3-34.8175-177-100000112.8S112 L113 R114Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.28Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; Y110-R114 PolarHBondContact O-N 3.36Å
111T76.7Confident81.7Confident93 Ų9367.2 Ų67.257%0.57131%0.308SS*.Hα-helixtrans-62.6-36.7178.152.30000112.6R109 R115R109-T111 VanDerWaalsContact C-N 3.29Å; R109-T111 PolarHBondContact O-N 3.05Å; T111-R115 WeakPolarHBondContact O-CG 3.46Å; T111-R115 PolarHBondContact O-N 3.42Å
112S78.3Confident81.9Confident18 Ų1871.5 Ų71.513%0.12633%0.331CS..Hα-helixtrans-69.1-38.8173.339.50000112.2T104 R109 Y110 R114 R115 F116T104-S112 WeakPolarHBondContact OG1-CB 3.12Å; R109-S112 PolarHBondContact O-N 3.23Å; R109-S112 PolarHBondContact O-OG 2.95Å; Y110-S112 VanDerWaalsContact C-N 3.31Å; Y110-S112 PolarHBondContact O-N 3.28Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.18Å; S112-R115 PolarHBondContact O-N 2.68Å; S112-F116 WeakPolarHBondContact O-CB 3.48Å; S112-F116 PolarHBondContact O-N 3.28Å
113L77.9Confident82Confident24 Ų2468.3 Ų68.313%0.12631%0.314CS..Hα-helixtrans-62.6-41.3175.8-169.8150000111.7T104 R109 Y110 F116 Y117 Y181 V185T104-L113 HydrophobicContact CG2-CB 3.96Å; R109-L113 PolarHBondContact O-N 3.46Å; Y110-L113 WeakPolarHBondContact O-CB 3.44Å; Y110-L113 PolarHBondContact O-N 3.2Å; Y110-L113 VanDerWaalsContact O-N 3.16Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 2.91Å; L113-Y117 WeakPolarHBondContact O-CB 3.22Å; L113-Y117 PolarHBondContact O-N 3.46Å; L113-Y181 HydrophobicContact CD1-CD1 4.01Å; L113-Y181 HydrophobicContact CD1-CE1 4.22Å; L113-Y181 HydrophobicContact CD2-CD1 4.49Å; L113-Y181 HydrophobicContact CG-CD1 4.39Å; L113-V185 HydrophobicContact CD2-CG2 3.42Å; L113-V185 VanDerWaalsContact CD2-CG2 3.42Å
114R79.2Confident82.2Confident132 Ų13262 Ų6250%0.49829%0.292SS..Hα-helixtrans-61.9-45.1174.9-172.5-180179.2-174.71.6112Y110 S112 F116 Y117 T118Y110-R114 PolarHBondContact O-N 3.36Å; S112-R114 VanDerWaalsContact C-N 3.34Å; S112-R114 PolarHBondContact O-N 3.18Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.88Å; R114-Y117 PolarHBondContact O-N 3.2Å; R114-T118 PolarHBondContact O-N 2.89Å; R114-T118 PolarHBondContact O-OG1 3.45Å
115R83.2Confident82.6Confident180 Ų18066.8 Ų66.868%0.67932%0.316SS*.Hα-helixtrans-62.4-41.8176.8-72.4178.9-179.3-170.8-0.1111.6T111 S112 T118 S119T111-R115 WeakPolarHBondContact O-CG 3.46Å; T111-R115 PolarHBondContact O-N 3.42Å; S112-R115 PolarHBondContact O-N 2.68Å; R115-T118 PolarHBondContact O-N 2.87Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.92Å
116F86.3Confident82.8Confident1 Ų167.3 Ų67.30%0.00432%0.319CS..Hα-helixtrans-59.5-47.3174.2172.8-106.3000111.7L38 L41 F45 T97 A101 S112 L113 R114 T118 S119 L120 Y181L38-F116 HydrophobicContact CD1-CD1 4.42Å; L38-F116 HydrophobicContact CD1-CE1 3.95Å; L38-F116 HydrophobicContact CD1-CZ 4.22Å; L41-F116 HydrophobicContact CD2-CE1 4.06Å; L41-F116 HydrophobicContact CD2-CE2 4.45Å; L41-F116 HydrophobicContact CD2-CZ 3.46Å; L41-F116 VanDerWaalsContact CD2-CZ 3.46Å; F45-F116 HydrophobicContact CE2-CZ 4.31Å; T97-F116 HydrophobicContact CG2-CD2 3.93Å; T97-F116 HydrophobicContact CG2-CE2 3.57Å; A101-F116 HydrophobicContact CB-CD2 3.87Å; A101-F116 HydrophobicContact CB-CE2 3.52Å; A101-F116 HydrophobicContact CB-CZ 4.1Å; S112-F116 WeakPolarHBondContact O-CB 3.48Å; S112-F116 PolarHBondContact O-N 3.28Å; L113-F116 WeakPolarHBondContact O-CB 3.44Å; L113-F116 PolarHBondContact O-N 2.91Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-F116 PolarHBondContact O-N 2.88Å; F116-T118 PolarHBondContact O-N 2.9Å; F116-S119 WeakPolarHBondContact O-CA 3.31Å; F116-S119 VanDerWaalsContact O-CB 3.31Å; F116-S119 WeakPolarHBondContact O-CB 3.44Å; F116-S119 PolarHBondContact O-N 3.4Å; F116-S119 VanDerWaalsContact O-N 3.12Å; F116-L120 HydrophobicContact CD1-CD1 4.22Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE1-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.24Å; F116-L120 HydrophobicContact CE2-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 3.72Å; F116-L120 HydrophobicContact CZ-CD2 3.91Å; F116-L120 HydrophobicContact CZ-CG 3.86Å; F116-L120 PolarHBondContact O-N 2.93Å; F116-Y181 AromaticContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CE2 4.19Å
117Y84.7Confident83.1Confident24 Ų2460.6 Ų60.69%0.09429%0.285CS..Hα-helixtrans-61.7-43177-175.6-99.4000112.7L113 R114 S119 L120 W121 L178 V185L113-Y117 WeakPolarHBondContact O-CB 3.22Å; L113-Y117 PolarHBondContact O-N 3.46Å; R114-Y117 PolarHBondContact O-N 3.2Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.28Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 2.7Å; Y117-W121 AromaticContact CD1-CD1 3.96Å; Y117-W121 AromaticContact CE1-CD1 3.59Å; Y117-W121 AromaticContact CE1-NE1 3.26Å; Y117-W121 VanDerWaalsContact CE1-NE1 3.26Å; Y117-W121 AromaticContact CZ-CD1 3.89Å; Y117-W121 AromaticContact CZ-NE1 3.21Å; Y117-W121 PolarHBondContact O-N 2.89Å; Y117-W121 PolarHBondContact OH-NE1 3.43Å; Y117-W121 VanDerWaalsContact OH-NE1 3.15Å; Y117-L178 HydrophobicContact CD2-CD2 4.16Å; Y117-L178 HydrophobicContact CE2-CD2 3.7Å; Y117-V185 HydrophobicContact CD1-CB 4.49Å; Y117-V185 HydrophobicContact CD1-CG1 3.94Å; Y117-V185 HydrophobicContact CD2-CG2 4.48Å; Y117-V185 HydrophobicContact CE1-CG1 4.2Å; Y117-V185 HydrophobicContact CG-CG1 4.4Å; Y117-V185 HydrophobicContact CG-CG2 4.21Å
118T85.1Confident83.5Confident74 Ų7462.5 Ų62.545%0.45430%0.295SS..Hα-helixtrans-61.8-38.6173.1-580000111.6R114 R115 F116 L120 W121 L122R114-T118 PolarHBondContact O-N 2.89Å; R114-T118 PolarHBondContact O-OG1 3.45Å; R115-T118 PolarHBondContact O-N 2.87Å; F116-T118 PolarHBondContact O-N 2.9Å; T118-L120 PolarHBondContact O-N 3.11Å; T118-W121 PolarHBondContact O-N 2.94Å; T118-L122 PolarHBondContact O-N 3.45Å
119S87.7Confident84.4Confident18 Ų1862.6 Ų62.613%0.12630%0.298CS..Hα-helixtrans-63.5-39.5176-155.30000112.2T97 R115 F116 Y117 W121 L122 V123T97-S119 PolarHBondContact OG1-OG 3.44Å; R115-S119 WeakPolarHBondContact O-CB 3.44Å; R115-S119 PolarHBondContact O-N 2.92Å; F116-S119 WeakPolarHBondContact O-CA 3.31Å; F116-S119 VanDerWaalsContact O-CB 3.31Å; F116-S119 WeakPolarHBondContact O-CB 3.44Å; F116-S119 PolarHBondContact O-N 3.4Å; F116-S119 VanDerWaalsContact O-N 3.12Å; Y117-S119 VanDerWaalsContact C-N 3.29Å; Y117-S119 PolarHBondContact O-N 3.28Å; S119-W121 VanDerWaalsContact C-N 3.31Å; S119-W121 PolarHBondContact O-N 3.34Å; S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-L122 VanDerWaalsContact O-N 3.11Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.39Å
120L88.7Confident84.9Confident0 Ų055.1 Ų55.10%027%0.269CS..Hα-helixtrans-59-41.3174.8-72.3175.7000112.3F45 T97 F116 Y117 T118 L122 V123 L124 L178F45-L120 HydrophobicContact CE1-CD2 4.32Å; F45-L120 HydrophobicContact CE2-CD2 3.7Å; F45-L120 HydrophobicContact CZ-CD2 3.38Å; T97-L120 HydrophobicContact CG2-CD2 3.96Å; T97-L120 HydrophobicContact CG2-CG 4.39Å; F116-L120 HydrophobicContact CD1-CD1 4.22Å; F116-L120 HydrophobicContact CE1-CD1 3.55Å; F116-L120 HydrophobicContact CE1-CG 4.1Å; F116-L120 HydrophobicContact CE2-CD2 4.24Å; F116-L120 HydrophobicContact CE2-CG 4.24Å; F116-L120 HydrophobicContact CZ-CD1 3.72Å; F116-L120 HydrophobicContact CZ-CD2 3.91Å; F116-L120 HydrophobicContact CZ-CG 3.86Å; F116-L120 PolarHBondContact O-N 2.93Å; Y117-L120 WeakPolarHBondContact O-CB 3.37Å; Y117-L120 PolarHBondContact O-N 2.7Å; T118-L120 PolarHBondContact O-N 3.11Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.39Å; L120-V123 PolarHBondContact O-N 2.9Å; L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.69Å; L120-L178 HydrophobicContact CB-CD2 3.8Å; L120-L178 HydrophobicContact CB-CG 4.13Å; L120-L178 HydrophobicContact CD1-CD2 4.31Å; L120-L178 HydrophobicContact CD1-CG 4.39Å
121W88.4Confident85.7Confident102 Ų10256.3 Ų56.339%0.38627%0.274SS..Hα-helixtrans-63.1-39.4174.5-83.498.8000112.5Y117 T118 S119 L124 L125 L178 F195Y117-W121 AromaticContact CD1-CD1 3.96Å; Y117-W121 AromaticContact CE1-CD1 3.59Å; Y117-W121 AromaticContact CE1-NE1 3.26Å; Y117-W121 VanDerWaalsContact CE1-NE1 3.26Å; Y117-W121 AromaticContact CZ-CD1 3.89Å; Y117-W121 AromaticContact CZ-NE1 3.21Å; Y117-W121 PolarHBondContact O-N 2.89Å; Y117-W121 PolarHBondContact OH-NE1 3.43Å; Y117-W121 VanDerWaalsContact OH-NE1 3.15Å; T118-W121 PolarHBondContact O-N 2.94Å; S119-W121 VanDerWaalsContact C-N 3.31Å; S119-W121 PolarHBondContact O-N 3.34Å; W121-L124 HydrophobicContact CE3-CD2 4.22Å; W121-L124 HydrophobicContact CZ3-CD2 4.14Å; W121-L124 PolarHBondContact O-N 3.36Å; W121-L125 WeakPolarHBondContact O-CB 3.36Å; W121-L125 PolarHBondContact O-N 3.31Å; W121-L178 HydrophobicContact CD2-CD2 4.41Å; W121-L178 HydrophobicContact CG-CD2 4.29Å; W121-F195 HydrophobicContact CH2-CZ 4.19Å
122L89.2Confident86.2Confident91 Ų9155.6 Ų55.648%0.47627%0.271SS..Hα-helixtrans-66.1-42.2175.6-67.1176.7000112.2L93 T118 S119 L120 L124 L125 L126L93-L122 HydrophobicContact CD1-CB 4.4Å; L93-L122 HydrophobicContact CD2-CB 4.11Å; T118-L122 PolarHBondContact O-N 3.45Å; S119-L122 WeakPolarHBondContact O-CB 3.41Å; S119-L122 PolarHBondContact O-N 3.49Å; S119-L122 VanDerWaalsContact O-N 3.11Å; L120-L122 VanDerWaalsContact C-N 3.34Å; L120-L122 PolarHBondContact O-N 3.39Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.26Å; L122-L125 PolarHBondContact O-N 3.19Å; L122-L126 PolarHBondContact O-N 2.89Å
123V89Confident86.5Confident3 Ų356.1 Ų56.12%0.01828%0.275CS..Hα-helixtrans-57.6-47.9172.8172.40000110.5L93 V94 T97 S119 L120 L126 N127L93-V123 HydrophobicContact CD2-CB 4.13Å; L93-V123 HydrophobicContact CD2-CG2 3.2Å; V94-V123 HydrophobicContact CG2-CG1 3.61Å; V94-V123 HydrophobicContact CG2-CG2 4.1Å; T97-V123 HydrophobicContact CG2-CG2 4.38Å; T97-V123 WeakPolarHBondContact OG1-CG2 3.3Å; S119-V123 WeakPolarHBondContact O-CG2 3.46Å; S119-V123 PolarHBondContact O-N 3.39Å; L120-V123 PolarHBondContact O-N 2.9Å; V123-L126 PolarHBondContact O-N 3.45Å; V123-N127 WeakPolarHBondContact O-CB 3.46Å; V123-N127 PolarHBondContact O-N 2.97Å; V123-N127 PolarHBondContact O-ND2 3.42Å
124L90Very high86.8Confident24 Ų2456.1 Ų56.113%0.12628%0.275CS..Hα-helixtrans-61.2-47.9-179-170.180.1000110.9L120 W121 L122 L126 N127 V128 L171 F175 L178L120-L124 WeakPolarHBondContact O-CB 3.35Å; L120-L124 PolarHBondContact O-N 2.69Å; W121-L124 HydrophobicContact CE3-CD2 4.22Å; W121-L124 HydrophobicContact CZ3-CD2 4.14Å; W121-L124 PolarHBondContact O-N 3.36Å; L122-L124 VanDerWaalsContact C-N 3.33Å; L122-L124 PolarHBondContact O-N 3.26Å; L124-L126 PolarHBondContact O-N 2.91Å; L124-N127 PolarHBondContact O-N 3.5Å; L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 3.24Å; L124-L171 HydrophobicContact CD1-CD2 4Å; L124-F175 HydrophobicContact CD1-CE1 4Å; L124-F175 HydrophobicContact CD1-CE2 4.27Å; L124-F175 HydrophobicContact CD1-CZ 3.8Å; L124-L178 HydrophobicContact CD1-CD1 4.45Å; L124-L178 HydrophobicContact CD2-CD1 3.97Å
125L90.4Very high87.1Confident109 Ų10954.7 Ų54.757%0.57128%0.276SS*.Hα-helixtrans-60.8-45.5-179.9-170.3151.6000111.3W121 L122 N127 V128 V129W121-L125 WeakPolarHBondContact O-CB 3.36Å; W121-L125 PolarHBondContact O-N 3.31Å; L122-L125 PolarHBondContact O-N 3.19Å; L125-N127 PolarHBondContact O-N 3.25Å; L125-V128 PolarHBondContact O-N 2.85Å; L125-V129 HydrophobicContact CD2-CG2 4.13Å; L125-V129 WeakPolarHBondContact O-CG2 3.32Å; L125-V129 PolarHBondContact O-N 2.95Å
126L87.8Confident87.1Confident41 Ų4147.6 Ų47.622%0.21526%0.256CS..Hα-helixtrans-65.2-38.2176.8-78.8172.8000112.9L86 T90 L93 L122 V123 L124 V129 Y130L86-L126 WeakPolarHBondContact CD2-O 3.38Å; T90-L126 HydrophobicContact CG2-CB 3.8Å; L93-L126 HydrophobicContact CB-CD1 4.43Å; L93-L126 HydrophobicContact CD1-CD1 3.69Å; L93-L126 HydrophobicContact CG-CD1 4.48Å; L122-L126 PolarHBondContact O-N 2.89Å; V123-L126 PolarHBondContact O-N 3.45Å; L124-L126 PolarHBondContact O-N 2.91Å; L126-V129 PolarHBondContact O-N 2.89Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.43Å
127N87.3Confident86.8Confident2 Ų247.7 Ų47.71%0.01126%0.257CS..Hα-helixtrans-63.6-41.9173.5-88.5-48.8000111.2V123 L124 L125 V129 Y130 W131 S167 L171V123-N127 WeakPolarHBondContact O-CB 3.46Å; V123-N127 PolarHBondContact O-N 2.97Å; V123-N127 PolarHBondContact O-ND2 3.42Å; L124-N127 PolarHBondContact O-N 3.5Å; L125-N127 PolarHBondContact O-N 3.25Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.36Å; N127-Y130 WeakPolarHBondContact O-CB 3.34Å; N127-Y130 PolarHBondContact O-N 3.47Å; N127-W131 PolarHBondContact O-N 3.01Å; N127-S167 PolarHBondContact OD1-OG 3.44Å; N127-L171 HydrophobicContact CB-CD2 3.74Å
128V88.4Confident86.6Confident84 Ų8451 Ų5151%0.50928%0.275SS..Hα-helixtrans-60.9-44.3175.4172.30000111L124 L125 Y130 W131 C132L124-V128 WeakPolarHBondContact O-CG2 3.35Å; L124-V128 PolarHBondContact O-N 3.24Å; L125-V128 PolarHBondContact O-N 2.85Å; V128-Y130 VanDerWaalsContact C-N 3.32Å; V128-Y130 PolarHBondContact O-N 2.97Å; V128-W131 PolarHBondContact O-N 3.4Å; V128-C132 PolarHBondContact O-N 3.37Å; V128-C132 PolarHBondContact O-SG 3.45Å
129V89.1Confident86.3Confident61 Ų6151.9 Ų51.937%0.3728%0.284SS..Hα-helixtrans-60.1-43.5174.7173.70000110.9L86 L125 L126 N127 W131 C132 C133L86-V129 HydrophobicContact CD2-CB 4.45Å; L86-V129 HydrophobicContact CD2-CG1 4.2Å; L125-V129 HydrophobicContact CD2-CG2 4.13Å; L125-V129 WeakPolarHBondContact O-CG2 3.32Å; L125-V129 PolarHBondContact O-N 2.95Å; L126-V129 PolarHBondContact O-N 2.89Å; N127-V129 VanDerWaalsContact C-N 3.34Å; N127-V129 PolarHBondContact O-N 3.36Å; V129-W131 PolarHBondContact O-N 2.94Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.18Å; V129-C133 PolarHBondContact O-N 2.76Å; V129-C133 PolarHBondContact O-SG 2.9Å; V129-C133 VanDerWaalsContact O-SG 3.32Å
130Y86.1Confident85.7Confident13 Ų1359.3 Ų59.35%0.05131%0.311CS..Hα-helixtrans-57.6-49.9175.4179.4-114.3000112.3L86 P87 L126 N127 V128 C132 C133 L134 T163 S167L86-Y130 HydrophobicContact CB-CD2 4.17Å; L86-Y130 HydrophobicContact CD2-CD2 4.25Å; L86-Y130 HydrophobicContact CD2-CG 4.37Å; P87-Y130 HydrophobicContact CG-CD2 4.2Å; P87-Y130 HydrophobicContact CG-CE2 3.53Å; L126-Y130 WeakPolarHBondContact O-CB 3.32Å; L126-Y130 PolarHBondContact O-N 3.43Å; N127-Y130 WeakPolarHBondContact O-CB 3.34Å; N127-Y130 PolarHBondContact O-N 3.47Å; V128-Y130 VanDerWaalsContact C-N 3.32Å; V128-Y130 PolarHBondContact O-N 2.97Å; Y130-C132 VanDerWaalsContact C-N 3.31Å; Y130-C132 PolarHBondContact O-N 3.27Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 2.81Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 PolarHBondContact O-N 2.86Å; Y130-T163 WeakPolarHBondContact OH-CG2 3.39Å; Y130-S167 WeakPolarHBondContact CD1-OG 3.3Å
131W86.2Confident84.7Confident88 Ų8860.8 Ų60.833%0.33333%0.326SS..Hα-helixtrans-62.1-39.4178.7-83.596.8000111.7N127 V128 V129 L134 I135 S167N127-W131 PolarHBondContact O-N 3.01Å; V128-W131 PolarHBondContact O-N 3.4Å; V129-W131 PolarHBondContact O-N 2.94Å; W131-L134 PolarHBondContact O-N 3.35Å; W131-I135 WeakPolarHBondContact O-CB 3.31Å; W131-I135 WeakPolarHBondContact O-CD1 3.5Å; W131-I135 WeakPolarHBondContact O-CG1 3.41Å; W131-I135 PolarHBondContact O-N 2.85Å; W131-S167 PolarHBondContact NE1-OG 2.86Å
132C87.4Confident83.6Confident78 Ų7859.5 Ų59.553%0.52733%0.327SS..Hα-helixtrans-61.1-45172.2-74.80000112.2V128 V129 Y130 L134 I135 A136V128-C132 PolarHBondContact O-N 3.37Å; V128-C132 PolarHBondContact O-SG 3.45Å; V129-C132 WeakPolarHBondContact O-CB 3.37Å; V129-C132 PolarHBondContact O-N 3.18Å; Y130-C132 VanDerWaalsContact C-N 3.31Å; Y130-C132 PolarHBondContact O-N 3.27Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.9Å; C132-I135 PolarHBondContact O-N 3.5Å; C132-A136 WeakPolarHBondContact O-CB 3.04Å; C132-A136 PolarHBondContact O-N 2.81Å
133C84.4Confident82Confident30 Ų3057.6 Ų57.620%0.20332%0.315CS..Hα-helixtrans-62.8-39.9175.7-68.60000112.1V129 Y130 A136 A137V129-C133 PolarHBondContact O-N 2.76Å; V129-C133 PolarHBondContact O-SG 2.9Å; V129-C133 VanDerWaalsContact O-SG 3.32Å; Y130-C133 WeakPolarHBondContact O-CB 3.42Å; Y130-C133 PolarHBondContact O-N 2.81Å; Y130-C133 VanDerWaalsContact O-N 3.15Å; C133-A136 PolarHBondContact O-N 2.94Å; C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 3.5Å
134L83.5Confident80.1Confident23 Ų2362.1 Ų62.112%0.1235%0.346CS..Hα-helixtrans-65.2-47.5178.3-170.8159.6000110.9Y130 W131 C132 A136 A137 I138 A164Y130-L134 HydrophobicContact CE1-CD1 3.99Å; Y130-L134 WeakPolarHBondContact O-CB 3.38Å; Y130-L134 PolarHBondContact O-N 2.86Å; W131-L134 PolarHBondContact O-N 3.35Å; C132-L134 VanDerWaalsContact C-N 3.33Å; C132-L134 PolarHBondContact O-N 2.9Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.91Å; L134-A137 PolarHBondContact O-N 2.81Å; L134-I138 HydrophobicContact CD2-CD1 3.43Å; L134-I138 VanDerWaalsContact CD2-CD1 3.43Å; L134-I138 HydrophobicContact CD2-CG1 4.1Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 2.87Å; L134-A164 HydrophobicContact CD1-CB 3.48Å; L134-A164 VanDerWaalsContact CD1-CB 3.48Å
135I85.2Confident78.1Confident103 Ų10362.9 Ų62.953%0.52835%0.354SS..Hα-helixtrans-60.6-43176.1-67.1161.8000110.3W131 C132 A137 I138 S139W131-I135 WeakPolarHBondContact O-CB 3.31Å; W131-I135 WeakPolarHBondContact O-CD1 3.5Å; W131-I135 WeakPolarHBondContact O-CG1 3.41Å; W131-I135 PolarHBondContact O-N 2.85Å; C132-I135 PolarHBondContact O-N 3.5Å; I135-A137 PolarHBondContact O-N 3.23Å; I135-I138 PolarHBondContact O-N 3.37Å; I135-S139 WeakPolarHBondContact O-CB 3.44Å; I135-S139 PolarHBondContact O-N 3.46Å; I135-S139 PolarHBondContact O-OG 3.41Å
136A83.5Confident76Confident31 Ų3164.3 Ų64.326%0.25636%0.362SS..Hα-helixtrans-59.1-47.2174.700000111.1C132 C133 L134 I138 S139 Y140C132-A136 WeakPolarHBondContact O-CB 3.04Å; C132-A136 PolarHBondContact O-N 2.81Å; C133-A136 PolarHBondContact O-N 2.94Å; L134-A136 VanDerWaalsContact C-N 3.3Å; L134-A136 PolarHBondContact O-N 2.91Å; A136-I138 VanDerWaalsContact C-N 3.34Å; A136-I138 PolarHBondContact O-N 3.48Å; A136-S139 WeakPolarHBondContact CA-OG 3.23Å; A136-S139 PolarHBondContact O-N 2.91Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.46Å; A136-Y140 VanDerWaalsContact O-CD2 3.27Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A136-Y140 PolarHBondContact O-N 2.9Å
137A79.6Confident74Confident2 Ų269.3 Ų69.32%0.01740%0.395CS..Hα-helixtrans-61.5-38.4178.300000113C133 L134 I135 N142 F143C133-A137 WeakPolarHBondContact O-CB 3.21Å; C133-A137 PolarHBondContact O-N 3.5Å; L134-A137 PolarHBondContact O-N 2.81Å; I135-A137 PolarHBondContact O-N 3.23Å; A137-N142 PolarHBondContact O-N 3.21Å; A137-F143 HydrophobicContact CB-CE2 3.88Å
138I80.5Confident72.2Confident95 Ų9573.4 Ų73.449%0.48742%0.423SS..Hα-helixtrans-62.9-47.5171.5-65.5174.2000110.3L134 I135 A136 Y140 G141 F143L134-I138 HydrophobicContact CD2-CD1 3.43Å; L134-I138 VanDerWaalsContact CD2-CD1 3.43Å; L134-I138 HydrophobicContact CD2-CG1 4.1Å; L134-I138 WeakPolarHBondContact O-CG1 3.2Å; L134-I138 PolarHBondContact O-N 2.87Å; I135-I138 PolarHBondContact O-N 3.37Å; A136-I138 VanDerWaalsContact C-N 3.34Å; A136-I138 PolarHBondContact O-N 3.48Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 2.96Å; I138-G141 PolarHBondContact O-N 3.15Å; I138-F143 HydrophobicContact CB-CD2 4.2Å; I138-F143 HydrophobicContact CB-CE2 4.29Å; I138-F143 HydrophobicContact CG1-CD2 3.61Å; I138-F143 HydrophobicContact CG1-CE2 3.38Å; I138-F143 HydrophobicContact CG1-CG 4.39Å; I138-F143 HydrophobicContact CG1-CZ 4.05Å
139S78.8Confident70.4Confident92 Ų9274.1 Ų74.164%0.64343%0.432SS*.Hα-helixtrans-65-31.7-176.571.90000113.8I135 A136 G141I135-S139 WeakPolarHBondContact O-CB 3.44Å; I135-S139 PolarHBondContact O-N 3.46Å; I135-S139 PolarHBondContact O-OG 3.41Å; A136-S139 WeakPolarHBondContact CA-OG 3.23Å; A136-S139 PolarHBondContact O-N 2.91Å; A136-S139 VanDerWaalsContact O-N 3.1Å; A136-S139 PolarHBondContact O-OG 3.46Å; S139-G141 PolarHBondContact O-N 3.31Å
140Y76.3Confident69Low174 Ų17476.7 Ų76.768%0.68244%0.444SS*.THydrogen-bonded Turntrans-76.1-3.9175.8-86.8-72.6000113.5L80 A136 I138 N142L80-Y140 HydrophobicContact CD2-CD2 4.01Å; L80-Y140 HydrophobicContact CD2-CE2 4.47Å; A136-Y140 VanDerWaalsContact O-CD2 3.27Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A136-Y140 PolarHBondContact O-N 2.9Å; I138-Y140 VanDerWaalsContact C-N 3.31Å; I138-Y140 PolarHBondContact O-N 2.96Å; Y140-N142 PolarHBondContact O-N 3.44Å
141G67Low67.9Low31 Ų3185.4 Ų85.432%0.3248%0.482SS..THydrogen-bonded Turntrans73.513.8-176.900000113.4I138 S139 F143 S144I138-G141 PolarHBondContact O-N 3.15Å; S139-G141 PolarHBondContact O-N 3.31Å; G141-F143 PolarHBondContact O-N 3.49Å; G141-S144 WeakPolarHBondContact O-CB 3.35Å; G141-S144 PolarHBondContact O-N 3.44Å; G141-S144 PolarHBondContact O-OG 3.39Å
142N64.9Low66.8Low74 Ų7483.9 Ų83.940%0.39648%0.48SS..THydrogen-bonded Turntrans-67.1-0.3175.6-78.6-7000113.7A81 A137 Y140A81-N142 HydrophobicContact CB-CB 4.1Å; A137-N142 PolarHBondContact O-N 3.21Å; Y140-N142 PolarHBondContact O-N 3.44Å
143F56.7Low65.8Low51 Ų5181.9 Ų81.922%0.22447%0.467CS..THydrogen-bonded Turntrans-99.8-8.4169.8-74.2-93.7000113.4A137 I138 G141 S145 R160A137-F143 HydrophobicContact CB-CE2 3.88Å; I138-F143 HydrophobicContact CB-CD2 4.2Å; I138-F143 HydrophobicContact CB-CE2 4.29Å; I138-F143 HydrophobicContact CG1-CD2 3.61Å; I138-F143 HydrophobicContact CG1-CE2 3.38Å; I138-F143 HydrophobicContact CG1-CG 4.39Å; I138-F143 HydrophobicContact CG1-CZ 4.05Å; G141-F143 PolarHBondContact O-N 3.49Å; F143-S145 PolarHBondContact O-N 2.93Å; F143-R160 HydrophobicContact CE1-CB 4.16Å
144S48.4Very low65.1Low98 Ų9885.1 Ų85.169%0.68548%0.482SS*.  trans-73.182.4169.670.30000108G141 D146G141-S144 WeakPolarHBondContact O-CB 3.35Å; G141-S144 PolarHBondContact O-N 3.44Å; G141-S144 PolarHBondContact O-OG 3.39Å; S144-D146 PolarHBondContact O-N 3.45Å
145S49.2Very low64.6Low40 Ų4086.1 Ų86.128%0.2849%0.491SS..  trans-58.2125.715652.90000106.5F143 T147F143-S145 PolarHBondContact O-N 2.93Å; S145-T147 PolarHBondContact O-N 2.9Å
146D45Very low64Low139 Ų13983 Ų8374%0.74347%0.474SS*.  trans-45.8113.6155.2-79.7-38.1000107.2S144 S148S144-D146 PolarHBondContact O-N 3.45Å; D146-S148 PolarHBondContact O-N 3.48Å
147T46.1Very low63.7Low147 Ų14783.8 Ų83.890%0.90247%0.473SS*.SBendtrans-60.4-4-172.9-20.90000112.7S145S145-T147 PolarHBondContact O-N 2.9Å
148S49.7Very low63.8Low88 Ų8887.1 Ų87.162%0.61549%0.494SS*.SBendtrans-90.7101.3174.854.20000112.1D146D146-S148 PolarHBondContact O-N 3.48Å
149S50.8Low63.8Low99 Ų9983.6 Ų83.669%0.69248%0.477SS*.SBendtrans73.959.313577.10000120.8
150N58.9Low63.9Low115 Ų11580.8 Ų80.862%0.61545%0.452SS*.  trans-150.8131.4148.1-96.4-28.3000112.6I152 S153N150-I152 PolarHBondContact O-N 3.32Å; N150-S153 PolarHBondContact O-N 2.84Å; N150-S153 PolarHBondContact O-OG 3.42Å
151K63.9Low64.3Low195 Ų19576.4 Ų76.485%0.84844%0.443SS*.Hα-helixtrans-54.7-25.1174.9-71.7179.3178.6176.90112.4S155K151-S155 PolarHBondContact O-N 3.15Å
152I63.3Low65.2Low56 Ų5681 Ų8129%0.28745%0.454SS..Hα-helixtrans-75.6-41.5-176.2-54.9175.1000111.5I63 N150 N154 S155 H156I63-I152 HydrophobicContact CG2-CG2 4.34Å; N150-I152 PolarHBondContact O-N 3.32Å; I152-N154 VanDerWaalsContact C-N 3.33Å; I152-N154 PolarHBondContact O-N 3.28Å; I152-S155 WeakPolarHBondContact CA-OG 3.21Å; I152-S155 WeakPolarHBondContact O-CA 3.42Å; I152-S155 WeakPolarHBondContact O-CB 3.4Å; I152-S155 PolarHBondContact O-N 3.5Å; I152-S155 PolarHBondContact O-OG 2.85Å; I152-H156 PolarHBondContact O-CD2 2.92Å; I152-H156 VanDerWaalsContact O-CD2 3.22Å; I152-H156 PolarHBondContact O-N 3.43Å; I152-H156 VanDerWaalsContact O-N 3.09Å
153S65.5Low66.3Low37 Ų3777.6 Ų77.626%0.25944%0.436SS..Hα-helixtrans-63.3-41.1177.558.90000111.5N150 S155 H156 I157N150-S153 PolarHBondContact O-N 2.84Å; N150-S153 PolarHBondContact O-OG 3.42Å; S153-S155 VanDerWaalsContact C-N 3.27Å; S153-S155 PolarHBondContact O-N 3.32Å; S153-H156 PolarHBondContact O-N 2.93Å; S153-I157 PolarHBondContact O-N 3.29Å
154N71.4Confident67.7Low98 Ų9875.8 Ų75.852%0.52443%0.431SS..Hα-helixtrans-60.2-39.2172.2-69.4-9000111.5I152 H156 I157 V158I152-N154 VanDerWaalsContact C-N 3.33Å; I152-N154 PolarHBondContact O-N 3.28Å; N154-H156 PolarHBondContact O-N 3.31Å; N154-I157 PolarHBondContact O-N 2.89Å; N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 WeakPolarHBondContact O-CG2 3.48Å; N154-V158 PolarHBondContact O-N 3.28Å
155S71.7Confident69.6Low44 Ų4474.9 Ų74.931%0.30842%0.421SS..Hα-helixtrans-63.8-39.9178.978.50000112.7I63 K151 I152 S153 V158 T159I63-S155 WeakPolarHBondContact CG2-OG 3.46Å; K151-S155 PolarHBondContact O-N 3.15Å; I152-S155 WeakPolarHBondContact CA-OG 3.21Å; I152-S155 WeakPolarHBondContact O-CA 3.42Å; I152-S155 WeakPolarHBondContact O-CB 3.4Å; I152-S155 PolarHBondContact O-N 3.5Å; I152-S155 PolarHBondContact O-OG 2.85Å; S153-S155 VanDerWaalsContact C-N 3.27Å; S153-S155 PolarHBondContact O-N 3.32Å; S155-V158 PolarHBondContact O-N 2.86Å; S155-T159 WeakPolarHBondContact O-CG2 3.46Å; S155-T159 PolarHBondContact O-N 2.84Å; S155-T159 PolarHBondContact O-OG1 2.88Å
156H73Confident71.5Confident37 Ų3773.8 Ų73.817%0.17141%0.412CS..Hα-helixtrans-63.4-42.4174.6-75.6-76.4000112.8I63 I152 S153 N154 V158 T159 R160I63-H156 WeakPolarHBondContact CG2-CE1 3.16Å; I63-H156 VanDerWaalsContact CG2-NE2 3.3Å; I63-H156 WeakPolarHBondContact CG2-NE2 3.31Å; I152-H156 PolarHBondContact O-CD2 2.92Å; I152-H156 VanDerWaalsContact O-CD2 3.22Å; I152-H156 PolarHBondContact O-N 3.43Å; I152-H156 VanDerWaalsContact O-N 3.09Å; S153-H156 PolarHBondContact O-N 2.93Å; N154-H156 PolarHBondContact O-N 3.31Å; H156-V158 VanDerWaalsContact C-N 3.33Å; H156-T159 PolarHBondContact O-OG1 3.46Å; H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 VanDerWaalsContact O-CG 3.23Å; H156-R160 WeakPolarHBondContact O-CG 3.36Å; H156-R160 PolarHBondContact O-N 3Å; H156-R160 VanDerWaalsContact O-N 3.11Å
157I77.5Confident73.5Confident47 Ų4767.6 Ų67.624%0.24138%0.379CS..Hα-helixtrans-65.4-43.6179.1-64.5169.2000109.7S153 N154 R160 V161S153-I157 PolarHBondContact O-N 3.29Å; N154-I157 PolarHBondContact O-N 2.89Å; I157-R160 PolarHBondContact O-N 3.44Å; I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.21Å; I157-V161 PolarHBondContact O-N 2.84Å
158V81.5Confident75.5Confident73 Ų7361.7 Ų61.744%0.44235%0.348SS..Hα-helixtrans-62-47.4179.8171.30000111.3N154 S155 H156 R160 V161 F162N154-V158 WeakPolarHBondContact O-CB 3.47Å; N154-V158 WeakPolarHBondContact O-CG2 3.48Å; N154-V158 PolarHBondContact O-N 3.28Å; S155-V158 PolarHBondContact O-N 2.86Å; H156-V158 VanDerWaalsContact C-N 3.33Å; V158-R160 VanDerWaalsContact C-N 3.35Å; V158-R160 PolarHBondContact O-N 3.4Å; V158-V161 PolarHBondContact O-N 2.72Å; V158-F162 HydrophobicContact CG1-CD2 3.54Å; V158-F162 HydrophobicContact CG1-CE2 3.38Å; V158-F162 WeakPolarHBondContact O-CD2 3.43Å; V158-F162 PolarHBondContact O-N 2.91Å
159T81.3Confident77.3Confident21 Ų2161.1 Ų61.113%0.12934%0.338CS..Hα-helixtrans-64.1-37.6178.252.70000113D59 I63 S155 H156 F162 T163D59-T159 PolarHBondContact OD1-OG1 3.32Å; I63-T159 HydrophobicContact CD1-CG2 3.4Å; I63-T159 VanDerWaalsContact CD1-CG2 3.4Å; I63-T159 WeakPolarHBondContact CD1-OG1 3.46Å; I63-T159 HydrophobicContact CG1-CG2 4.39Å; S155-T159 WeakPolarHBondContact O-CG2 3.46Å; S155-T159 PolarHBondContact O-N 2.84Å; S155-T159 PolarHBondContact O-OG1 2.88Å; H156-T159 PolarHBondContact O-OG1 3.46Å; T159-F162 PolarHBondContact O-N 3.22Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.1Å
160R80.6Confident79Confident33 Ų3356.5 Ų56.513%0.12531%0.306CS..Hα-helixtrans-64.4-44175.1-72.6174.8-172.7167.13.5112.3A81 N82 F143 H156 I157 V158 T163 A164A81-R160 VanDerWaalsContact CB-CZ 3.45Å; A81-R160 PolarHBondContact O-NE 3.41Å; N82-R160 PolarHBondContact OD1-NE 3.31Å; N82-R160 PolarHBondContact OD1-NH2 2.95Å; F143-R160 HydrophobicContact CE1-CB 4.16Å; H156-R160 WeakPolarHBondContact O-CB 3.48Å; H156-R160 VanDerWaalsContact O-CG 3.23Å; H156-R160 WeakPolarHBondContact O-CG 3.36Å; H156-R160 PolarHBondContact O-N 3Å; H156-R160 VanDerWaalsContact O-N 3.11Å; I157-R160 PolarHBondContact O-N 3.44Å; V158-R160 VanDerWaalsContact C-N 3.35Å; V158-R160 PolarHBondContact O-N 3.4Å; R160-T163 PolarHBondContact O-N 3.24Å; R160-A164 WeakPolarHBondContact O-CB 3.4Å; R160-A164 PolarHBondContact O-N 3.06Å
161V83.8Confident80.4Confident81 Ų8152.6 Ų52.649%0.49129%0.285SS..Hα-helixtrans-62.1-45.1176173.20000110.4I157 V158 T163 A164 V165I157-V161 HydrophobicContact CG2-CG2 4.45Å; I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.21Å; I157-V161 PolarHBondContact O-N 2.84Å; V158-V161 PolarHBondContact O-N 2.72Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.96Å; V161-A164 PolarHBondContact O-N 3.36Å; V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.94Å
162F87.2Confident81.5Confident127 Ų12748.2 Ų48.256%0.55727%0.269SS*.Hα-helixtrans-62.4-40.1176-81.8-63.4000112.7L55 V158 T159 V165 N166L55-F162 HydrophobicContact CD2-CB 4.25Å; V158-F162 HydrophobicContact CG1-CD2 3.54Å; V158-F162 HydrophobicContact CG1-CE2 3.38Å; V158-F162 WeakPolarHBondContact O-CD2 3.43Å; V158-F162 PolarHBondContact O-N 2.91Å; T159-F162 PolarHBondContact O-N 3.22Å; F162-V165 PolarHBondContact O-N 3.24Å; F162-N166 WeakPolarHBondContact O-CB 3.42Å; F162-N166 PolarHBondContact O-N 3.03Å
163T86.1Confident82.7Confident3 Ų346.1 Ų46.12%0.01826%0.259CS..Hα-helixtrans-64.4-42176.6-54.30000111.4P87 Y130 T159 R160 V161 N166 S167P87-T163 HydrophobicContact CB-CG2 3.7Å; P87-T163 HydrophobicContact CG-CG2 3.73Å; Y130-T163 WeakPolarHBondContact OH-CG2 3.39Å; T159-T163 WeakPolarHBondContact O-CB 3.32Å; T159-T163 PolarHBondContact O-N 2.95Å; T159-T163 PolarHBondContact O-OG1 3.1Å; R160-T163 PolarHBondContact O-N 3.24Å; V161-T163 VanDerWaalsContact C-N 3.34Å; V161-T163 PolarHBondContact O-N 2.96Å; T163-N166 PolarHBondContact O-N 3.38Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 2.7Å
164A86.3Confident83.7Confident14 Ų1444.3 Ų44.312%0.11625%0.247CC..Hα-helixtrans-62.5-46176.200000112.1L134 R160 V161 S167 G168L134-A164 HydrophobicContact CD1-CB 3.48Å; L134-A164 VanDerWaalsContact CD1-CB 3.48Å; R160-A164 WeakPolarHBondContact O-CB 3.4Å; R160-A164 PolarHBondContact O-N 3.06Å; V161-A164 PolarHBondContact O-N 3.36Å; A164-S167 PolarHBondContact O-N 3.39Å; A164-G168 PolarHBondContact O-N 2.98Å
165V89.1Confident84.4Confident79 Ų7944.5 Ų44.548%0.47924%0.243SC..Hα-helixtrans-62.4-44.4176.2172.40000110.5V161 F162 G168 L169V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 VanDerWaalsContact O-CG2 3.3Å; V161-V165 WeakPolarHBondContact O-CG2 3.33Å; V161-V165 PolarHBondContact O-N 2.94Å; F162-V165 PolarHBondContact O-N 3.24Å; V165-G168 PolarHBondContact O-N 3.18Å; V165-L169 HydrophobicContact CG1-CD1 3.97Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 2.87Å
166N89.1Confident85.1Confident16 Ų1645.9 Ų45.99%0.08625%0.25CC..Hα-helixtrans-64.8-40.5177.9-171.568.9000112.2F48 S52 L55 F162 T163 L169 S170F48-N166 PolarHBondContact O-ND2 3.14Å; S52-N166 WeakPolarHBondContact CA-ND2 3.42Å; S52-N166 VanDerWaalsContact CB-ND2 3.34Å; S52-N166 WeakPolarHBondContact CB-ND2 3.36Å; S52-N166 PolarHBondContact N-ND2 2.95Å; S52-N166 VanDerWaalsContact N-ND2 3.18Å; L55-N166 HydrophobicContact CD1-CB 3.75Å; F162-N166 WeakPolarHBondContact O-CB 3.42Å; F162-N166 PolarHBondContact O-N 3.03Å; T163-N166 PolarHBondContact O-N 3.38Å; N166-L169 PolarHBondContact O-N 3.33Å; N166-S170 WeakPolarHBondContact O-CB 3.46Å; N166-S170 PolarHBondContact O-N 3.11Å
167S86.4Confident85.6Confident9 Ų944.1 Ų44.16%0.06324%0.242CC..Hα-helixtrans-60.2-45.9172.1171.50000111.1N127 Y130 W131 T163 A164 L169 S170 L171N127-S167 PolarHBondContact OD1-OG 3.44Å; Y130-S167 WeakPolarHBondContact CD1-OG 3.3Å; W131-S167 PolarHBondContact NE1-OG 2.86Å; T163-S167 WeakPolarHBondContact O-CB 3.4Å; T163-S167 PolarHBondContact O-N 2.7Å; A164-S167 PolarHBondContact O-N 3.39Å; S167-L169 PolarHBondContact O-N 3.01Å; S167-S170 PolarHBondContact O-N 3.02Å; S167-S170 PolarHBondContact O-OG 2.99Å; S167-L171 PolarHBondContact O-N 2.99Å
168G87.8Confident86Confident24 Ų2442.7 Ų42.725%0.24723%0.234CC..Hα-helixtrans-59.9-43.8175.600000113.1A164 V165 S170 L171A164-G168 PolarHBondContact O-N 2.98Å; V165-G168 PolarHBondContact O-N 3.18Å; G168-S170 VanDerWaalsContact C-N 3.32Å; G168-S170 PolarHBondContact O-N 3.18Å; G168-L171 WeakPolarHBondContact O-CB 3.27Å; G168-L171 PolarHBondContact O-N 3.4Å
169L88.6Confident86.1Confident75 Ų7543.6 Ų43.639%0.39324%0.236SC..Hα-helixtrans-65.9-34.9176.2-70.9171.8000112.1F48 V165 N166 S167 L171 I172 P173F48-L169 HydrophobicContact CD1-CB 4.39Å; F48-L169 HydrophobicContact CE1-CB 3.84Å; F48-L169 HydrophobicContact CE1-CD1 4.39Å; F48-L169 HydrophobicContact CZ-CB 4.28Å; V165-L169 HydrophobicContact CG1-CD1 3.97Å; V165-L169 HydrophobicContact CG1-CG 4.38Å; V165-L169 WeakPolarHBondContact O-CG 3.32Å; V165-L169 PolarHBondContact O-N 2.87Å; N166-L169 PolarHBondContact O-N 3.33Å; S167-L169 PolarHBondContact O-N 3.01Å; L169-L171 PolarHBondContact O-N 3.38Å; L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CB 3.45Å; L169-I172 PolarHBondContact O-N 3.36Å; L169-P173 WeakPolarHBondContact O-CD 3.23Å
170S86.9Confident85.9Confident3 Ų345.3 Ų45.32%0.02124%0.244CC..Hα-helixtrans-66.7-20.6176.582.50000113.6N166 S167 G168 I172 P173 C174N166-S170 WeakPolarHBondContact O-CB 3.46Å; N166-S170 PolarHBondContact O-N 3.11Å; S167-S170 PolarHBondContact O-N 3.02Å; S167-S170 PolarHBondContact O-OG 2.99Å; G168-S170 VanDerWaalsContact C-N 3.32Å; G168-S170 PolarHBondContact O-N 3.18Å; S170-I172 VanDerWaalsContact C-N 3.31Å; S170-I172 PolarHBondContact O-N 3.33Å; S170-P173 VanDerWaalsContact O-CD 3.3Å; S170-P173 WeakPolarHBondContact O-CD 3.03Å; S170-P173 WeakPolarHBondContact O-CG 3.47Å; S170-C174 PolarHBondContact O-N 2.88Å
171L87.1Confident85.6Confident33 Ų3344 Ų4417%0.17324%0.239CC..Hα-helixtrans-69.2-29.6174.4-69.9173.9000112.1L124 N127 S167 G168 L169 C174 F175L124-L171 HydrophobicContact CD1-CD2 4Å; N127-L171 HydrophobicContact CB-CD2 3.74Å; S167-L171 PolarHBondContact O-N 2.99Å; G168-L171 WeakPolarHBondContact O-CB 3.27Å; G168-L171 PolarHBondContact O-N 3.4Å; L169-L171 PolarHBondContact O-N 3.38Å; L171-C174 CarbonylContact O-C 3.59Å; L171-C174 WeakPolarHBondContact O-CA 3.41Å; L171-C174 WeakPolarHBondContact O-CB 3.2Å; L171-C174 PolarHBondContact O-N 3.5Å; L171-C174 VanDerWaalsContact O-N 3.13Å; L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.98Å; L171-F175 HydrophobicContact CD2-CE2 4.35Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.95Å
172I88.6Confident85.3Confident103 Ų10340.3 Ų40.353%0.52822%0.217SC..Hα-helixtrans-59.4-54.8-179.3-57.4171.1000111.6L169 S170 C174 F175 T176L169-I172 HydrophobicContact CD2-CD1 4Å; L169-I172 WeakPolarHBondContact O-CB 3.45Å; L169-I172 PolarHBondContact O-N 3.36Å; S170-I172 VanDerWaalsContact C-N 3.31Å; S170-I172 PolarHBondContact O-N 3.33Å; I172-C174 VanDerWaalsContact C-N 3.26Å; I172-C174 PolarHBondContact O-N 3.19Å; I172-F175 PolarHBondContact O-N 2.98Å; I172-T176 WeakPolarHBondContact O-CB 3.46Å; I172-T176 PolarHBondContact O-N 2.86Å; I172-T176 PolarHBondContact O-OG1 2.84Å
173P86.6Confident84.3Confident11 Ų1137.1 Ų37.17%0.07120%0.203CC..Hα-helixtrans-66.6-27.9174.126.5-33.8000112.2L41 F45 F48 L169 S170 G177L41-P173 HydrophobicContact CD1-CB 4.48Å; L41-P173 WeakPolarHBondContact CD1-O 3.44Å; F45-P173 HydrophobicContact CD1-CB 4.43Å; F45-P173 HydrophobicContact CD1-CG 4.23Å; F45-P173 HydrophobicContact CD2-CB 4.49Å; F45-P173 HydrophobicContact CE1-CB 4.09Å; F45-P173 HydrophobicContact CE1-CG 3.99Å; F45-P173 HydrophobicContact CE2-CB 4.11Å; F45-P173 VanDerWaalsContact CZ-C 3.45Å; F45-P173 HydrophobicContact CZ-CB 3.93Å; F45-P173 HydrophobicContact CZ-CG 4.32Å; F45-P173 WeakPolarHBondContact CZ-O 3.14Å; F48-P173 HydrophobicContact CD2-CG 4.18Å; F48-P173 HydrophobicContact CE2-CG 4.47Å; L169-P173 WeakPolarHBondContact O-CD 3.23Å; S170-P173 VanDerWaalsContact O-CD 3.3Å; S170-P173 WeakPolarHBondContact O-CD 3.03Å; S170-P173 WeakPolarHBondContact O-CG 3.47Å; P173-G177 PolarHBondContact O-N 3.46Å
174C86.7Confident83Confident0 Ų037.7 Ų37.70%021%0.207CC..Hα-helixtrans-61.5-52.9173.5-162.60000112.5F45 S170 L171 I172 G177 L178F45-C174 HydrophobicContact CE1-CB 4.29Å; F45-C174 HydrophobicContact CZ-CB 4.25Å; S170-C174 PolarHBondContact O-N 2.88Å; L171-C174 CarbonylContact O-C 3.59Å; L171-C174 WeakPolarHBondContact O-CA 3.41Å; L171-C174 WeakPolarHBondContact O-CB 3.2Å; L171-C174 PolarHBondContact O-N 3.5Å; L171-C174 VanDerWaalsContact O-N 3.13Å; I172-C174 VanDerWaalsContact C-N 3.26Å; I172-C174 PolarHBondContact O-N 3.19Å; C174-G177 PolarHBondContact O-N 3.06Å; C174-L178 WeakPolarHBondContact O-CG 3.47Å; C174-L178 PolarHBondContact O-N 2.93Å
175F87Confident81.9Confident102 Ų10237.7 Ų37.745%0.44721%0.206SC..Hα-helixtrans-64.2-42.2175.8-76.9-64.6000111.9L124 L171 I172 G177 L178 I179L124-F175 HydrophobicContact CD1-CE1 4Å; L124-F175 HydrophobicContact CD1-CE2 4.27Å; L124-F175 HydrophobicContact CD1-CZ 3.8Å; L171-F175 HydrophobicContact CB-CD2 4.06Å; L171-F175 HydrophobicContact CB-CE2 3.98Å; L171-F175 HydrophobicContact CD2-CE2 4.35Å; L171-F175 WeakPolarHBondContact O-CD2 3.5Å; L171-F175 PolarHBondContact O-N 2.95Å; I172-F175 PolarHBondContact O-N 2.98Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 2.82Å; F175-L178 PolarHBondContact O-N 2.89Å; F175-I179 WeakPolarHBondContact O-CB 3.38Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 2.94Å
176T85.7Confident80.3Confident73 Ų7335.3 Ų35.345%0.44819%0.19SC..Hα-helixtrans-58.7-44.7176.6-56.10000110.9L41 I172 L180L41-T176 HydrophobicContact CD1-CG2 4.21Å; I172-T176 WeakPolarHBondContact O-CB 3.46Å; I172-T176 PolarHBondContact O-N 2.86Å; I172-T176 PolarHBondContact O-OG1 2.84Å; T176-L180 WeakPolarHBondContact O-CB 3.29Å; T176-L180 PolarHBondContact O-N 3.04Å
177G83.6Confident78.7Confident0 Ų037.8 Ų37.80%021%0.209CC..Hα-helixtrans-65-45.2176.700000112.6P173 C174 F175 L180 Y181P173-G177 PolarHBondContact O-N 3.46Å; C174-G177 PolarHBondContact O-N 3.06Å; F175-G177 VanDerWaalsContact C-N 3.3Å; F175-G177 PolarHBondContact O-N 2.82Å; G177-L180 PolarHBondContact O-N 3.34Å; G177-Y181 WeakPolarHBondContact O-CB 3.4Å; G177-Y181 WeakPolarHBondContact O-CD2 3.41Å; G177-Y181 PolarHBondContact O-N 3.42Å
178L86.4Confident76.8Confident16 Ų1646.6 Ų46.68%0.08424%0.241CC..Hα-helixtrans-62.3-45.6177.8-75172000111.7Y117 L120 W121 L124 C174 F175 S182Y117-L178 HydrophobicContact CD2-CD2 4.16Å; Y117-L178 HydrophobicContact CE2-CD2 3.7Å; L120-L178 HydrophobicContact CB-CD2 3.8Å; L120-L178 HydrophobicContact CB-CG 4.13Å; L120-L178 HydrophobicContact CD1-CD2 4.31Å; L120-L178 HydrophobicContact CD1-CG 4.39Å; W121-L178 HydrophobicContact CD2-CD2 4.41Å; W121-L178 HydrophobicContact CG-CD2 4.29Å; L124-L178 HydrophobicContact CD1-CD1 4.45Å; L124-L178 HydrophobicContact CD2-CD1 3.97Å; C174-L178 WeakPolarHBondContact O-CG 3.47Å; C174-L178 PolarHBondContact O-N 2.93Å; F175-L178 PolarHBondContact O-N 2.89Å; L178-S182 WeakPolarHBondContact O-CA 3.48Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 3.3Å; L178-S182 PolarHBondContact O-OG 3.35Å
179I82.8Confident75.1Confident93 Ų9351.4 Ų51.448%0.47725%0.252SS..Hα-helixtrans-63.7-49.2179-66.9165.5000110F175 Y181 S182F175-I179 WeakPolarHBondContact O-CB 3.38Å; F175-I179 VanDerWaalsContact O-CG1 3.25Å; F175-I179 WeakPolarHBondContact O-CG1 3.31Å; F175-I179 PolarHBondContact O-N 2.94Å; I179-Y181 PolarHBondContact O-N 3.4Å; I179-S182 PolarHBondContact O-OG 3.33Å
180L78.2Confident72.9Confident56 Ų5656 Ų5629%0.29327%0.272SS..Hα-helixtrans-65.4-39-175.3-16268.6000112Y34 T176 G177Y34-L180 HydrophobicContact CD1-CD1 4.45Å; Y34-L180 HydrophobicContact CD1-CD2 4.25Å; Y34-L180 HydrophobicContact CD1-CG 3.94Å; Y34-L180 HydrophobicContact CE1-CD1 3.95Å; Y34-L180 HydrophobicContact CE1-CD2 4.49Å; Y34-L180 HydrophobicContact CE1-CG 3.72Å; Y34-L180 WeakPolarHBondContact CE1-O 3.29Å; T176-L180 WeakPolarHBondContact O-CB 3.29Å; T176-L180 PolarHBondContact O-N 3.04Å; G177-L180 PolarHBondContact O-N 3.34Å
181Y74.8Confident70.7Confident5 Ų563.3 Ų63.32%0.0231%0.31CS..Hα-helixtrans-99.5-2.3-176.9-61.9-71.5000114.8Y34 L38 L41 L113 F116 G177 I179 P184 V185Y34-Y181 HydrophobicContact CD1-CD1 4.43Å; Y34-Y181 AromaticContact CD1-CE1 3.89Å; Y34-Y181 HydrophobicContact CD1-CE1 3.89Å; Y34-Y181 PolarHBondContact O-OH 3.11Å; Y34-Y181 VanDerWaalsContact O-OH 3.11Å; L38-Y181 VanDerWaalsContact CB-OH 3.25Å; L38-Y181 WeakPolarHBondContact CB-OH 3.39Å; L38-Y181 HydrophobicContact CD1-CE2 3.84Å; L38-Y181 WeakPolarHBondContact CD1-OH 3.42Å; L41-Y181 HydrophobicContact CD2-CE2 4.47Å; L113-Y181 HydrophobicContact CD1-CD1 4.01Å; L113-Y181 HydrophobicContact CD1-CE1 4.22Å; L113-Y181 HydrophobicContact CD2-CD1 4.49Å; L113-Y181 HydrophobicContact CG-CD1 4.39Å; F116-Y181 AromaticContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CD2 3.99Å; F116-Y181 HydrophobicContact CE1-CE2 4.19Å; G177-Y181 WeakPolarHBondContact O-CB 3.4Å; G177-Y181 WeakPolarHBondContact O-CD2 3.41Å; G177-Y181 PolarHBondContact O-N 3.42Å; I179-Y181 PolarHBondContact O-N 3.4Å; Y181-P184 HydrophobicContact CD1-CG 4.4Å; Y181-P184 WeakPolarHBondContact O-CD 3.47Å; Y181-P184 WeakPolarHBondContact O-CG 3.35Å; Y181-V185 WeakPolarHBondContact O-CG2 3.5Å; Y181-V185 PolarHBondContact O-N 2.94Å
182S76.2Confident68.8Low5 Ų566.3 Ų66.34%0.03533%0.326CS..Hα-helixtrans-58.5-48.4172.260.70000111.2L178 I179 V185 L186L178-S182 WeakPolarHBondContact O-CA 3.48Å; L178-S182 WeakPolarHBondContact O-CB 3.43Å; L178-S182 PolarHBondContact O-N 3.3Å; L178-S182 PolarHBondContact O-OG 3.35Å; I179-S182 PolarHBondContact O-OG 3.33Å; S182-V185 PolarHBondContact O-N 3.19Å; S182-L186 VanDerWaalsContact O-CB 3.27Å; S182-L186 WeakPolarHBondContact O-CB 3.49Å; S182-L186 WeakPolarHBondContact O-CD1 3.3Å; S182-L186 PolarHBondContact O-N 3.22Å
183H65.5Low66.6Low59 Ų5967 Ų6727%0.27333%0.33SS..Hα-helixtrans-57.6-54.5-175.4-161.9-92.8000113.8V185 S187H183-V185 VanDerWaalsContact C-N 3.34Å; H183-V185 PolarHBondContact O-N 3.21Å; H183-S187 PolarHBondContact O-N 3.49Å
184P60.4Low64.7Low16 Ų1672 Ų7210%0.10436%0.364CS..Hα-helixtrans-65-34.5-179.723.7-34.4000113.4L24 Y181 S187L24-P184 HydrophobicContact CD2-CB 3.38Å; Y181-P184 HydrophobicContact CD1-CG 4.4Å; Y181-P184 WeakPolarHBondContact O-CD 3.47Å; Y181-P184 WeakPolarHBondContact O-CG 3.35Å; P184-S187 PolarHBondContact O-OG 3.38Å
185V61.9Low62.7Low13 Ų1377 Ų778%0.07939%0.386CS..Hα-helixtrans-80.6-40-175.7179.30000112.2L113 Y117 Y181 S182 H183L113-V185 HydrophobicContact CD2-CG2 3.42Å; L113-V185 VanDerWaalsContact CD2-CG2 3.42Å; Y117-V185 HydrophobicContact CD1-CB 4.49Å; Y117-V185 HydrophobicContact CD1-CG1 3.94Å; Y117-V185 HydrophobicContact CD2-CG2 4.48Å; Y117-V185 HydrophobicContact CE1-CG1 4.2Å; Y117-V185 HydrophobicContact CG-CG1 4.4Å; Y117-V185 HydrophobicContact CG-CG2 4.21Å; Y181-V185 WeakPolarHBondContact O-CG2 3.5Å; Y181-V185 PolarHBondContact O-N 2.94Å; S182-V185 PolarHBondContact O-N 3.19Å; H183-V185 VanDerWaalsContact C-N 3.34Å; H183-V185 PolarHBondContact O-N 3.21Å
186L56.8Low60.7Low30 Ų3076.5 Ų76.516%0.15738%0.382CS..Hα-helixtrans-81.5-14.9-177.7-80.2141.9000113.7S182 R188 Y189S182-L186 VanDerWaalsContact O-CB 3.27Å; S182-L186 WeakPolarHBondContact O-CB 3.49Å; S182-L186 WeakPolarHBondContact O-CD1 3.3Å; S182-L186 PolarHBondContact O-N 3.22Å; L186-R188 PolarHBondContact O-N 3.3Å; L186-Y189 PolarHBondContact O-N 3.09Å
187S53.8Low59Low68 Ų6876.9 Ų76.948%0.47639%0.387SS..THydrogen-bonded Turntrans-52.3-25.9175.766.70000113.6H183 P184H183-S187 PolarHBondContact O-N 3.49Å; P184-S187 PolarHBondContact O-OG 3.38Å
188R48.3Very low57.3Low193 Ų19382.4 Ų82.473%0.72842%0.416SS*.THydrogen-bonded Turntrans-85.1-16.1177-131.4-178.1-160.3-166.85.3114.9L186L186-R188 PolarHBondContact O-N 3.3Å
189Y50.7Low55.7Low126 Ų12683.3 Ų83.349%0.49442%0.421SS..  trans-109.571.9-179-70.3-80.4000109.9L186 N191 I192L186-Y189 PolarHBondContact O-N 3.09Å; Y189-N191 PolarHBondContact O-N 3.02Å; Y189-I192 PolarHBondContact O-N 3.42Å
190Q43.8Very low53.9Low171 Ų17182.2 Ų82.280%0.79941%0.414SS*.THydrogen-bonded Turntrans-58.2-11.4176.5-139.1170.32.200113.5L193Q190-L193 WeakPolarHBondContact O-CD1 3.37Å
191N40.3Very low52.5Low156 Ų15690 Ų9083%0.83444%0.439SS*.THydrogen-bonded Turntrans-1012.7-177.5-74.1-13.3000116.1Y189 L193Y189-N191 PolarHBondContact O-N 3.02Å; N191-L193 VanDerWaalsContact C-N 3.33Å
192I46.2Very low51.1Low97 Ų9798.2 Ų98.250%0.49748%0.475SS..  trans-102.653.4168.3-50.1176.9000109.1Y189 C194Y189-I192 PolarHBondContact O-N 3.42Å; I192-C194 PolarHBondContact O-N 3.18Å
193L43.9Very low49.6Very low116 Ų116100.3 Ų100.361%0.60749%0.49SS*.Hα-helixtrans-61.4-19.9179.7-93.5147.7000113.9Q190 N191 F195 Y196 S197Q190-L193 WeakPolarHBondContact O-CD1 3.37Å; N191-L193 VanDerWaalsContact C-N 3.33Å; L193-F195 PolarHBondContact O-N 3.13Å; L193-Y196 PolarHBondContact O-N 2.63Å; L193-S197 PolarHBondContact O-N 2.92Å
194C45.5Very low48.4Very low117 Ų117104.6 Ų104.679%0.79151%0.505SS*.Hα-helixtrans-68.1-36.6-177.2-157.30000112.6I192I192-C194 PolarHBondContact O-N 3.18Å
195F44.9Very low47.5Very low105 Ų105109.2 Ų109.246%0.46154%0.538SS..Hα-helixtrans-83.4-25.4177.9-137.1-92.9000112.3W121 L193 L198 I199W121-F195 HydrophobicContact CH2-CZ 4.19Å; L193-F195 PolarHBondContact O-N 3.13Å; F195-L198 PolarHBondContact O-N 2.94Å; F195-I199 HydrophobicContact CD1-CD1 3.54Å; F195-I199 HydrophobicContact CD1-CG1 4.02Å; F195-I199 HydrophobicContact CE1-CD1 3.91Å; F195-I199 HydrophobicContact CE1-CG1 4.28Å; F195-I199 PolarHBondContact O-N 2.91Å
196Y44.6Very low46.7Very low91 Ų91113 Ų11336%0.35756%0.564SS.*Hα-helixtrans-64.7-40179.7-155.9-98.5000112.2L193 L198 I199 Q200L193-Y196 PolarHBondContact O-N 2.63Å; Y196-L198 PolarHBondContact O-N 3.47Å; Y196-I199 PolarHBondContact O-N 3.31Å; Y196-Q200 HydrophobicContact CD1-CG 3.9Å; Y196-Q200 HydrophobicContact CE1-CG 3.82Å; Y196-Q200 VanDerWaalsContact CE1-NE2 3.34Å; Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 WeakPolarHBondContact O-CG 3.21Å; Y196-Q200 PolarHBondContact O-N 2.82Å
197S49.6Very low46.2Very low81 Ų81114.7 Ų114.757%0.56658%0.579SS**Hα-helixtrans-58.8-44.1175.2167.70000112.8L193 Q200 R201L193-S197 PolarHBondContact O-N 2.92Å; S197-Q200 PolarHBondContact O-N 3.47Å; S197-R201 PolarHBondContact O-N 3.32Å; S197-R201 VanDerWaalsContact O-N 3.17Å
198L47.9Very low45.4Very low116 Ų116115.7 Ų115.761%0.60757%0.573SS**Hα-helixtrans-72.8-36-175.6-139.4135.4000111.7F195 Y196F195-L198 PolarHBondContact O-N 2.94Å; Y196-L198 PolarHBondContact O-N 3.47Å
199I52.9Low44.8Very low36 Ų36116.1 Ų116.119%0.18557%0.574CS.*Hα-helixtrans-74-39.3174.4-66.5175.6000111.4F195 Y196 R201 F202 S203F195-I199 HydrophobicContact CD1-CD1 3.54Å; F195-I199 HydrophobicContact CD1-CG1 4.02Å; F195-I199 HydrophobicContact CE1-CD1 3.91Å; F195-I199 HydrophobicContact CE1-CG1 4.28Å; F195-I199 PolarHBondContact O-N 2.91Å; Y196-I199 PolarHBondContact O-N 3.31Å; I199-R201 VanDerWaalsContact C-N 3.28Å; I199-R201 PolarHBondContact O-N 3.2Å; I199-F202 PolarHBondContact O-N 2.84Å; I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.07Å; I199-S203 PolarHBondContact O-N 2.92Å
200Q46.3Very low44.4Very low69 Ų69120.1 Ų120.132%0.32259%0.589SS.*Hα-helixtrans-58.9-42175.5-82.8-161-32.700110.9Y196 S197 F202 S203 Y204Y196-Q200 HydrophobicContact CD1-CG 3.9Å; Y196-Q200 HydrophobicContact CE1-CG 3.82Å; Y196-Q200 VanDerWaalsContact CE1-NE2 3.34Å; Y196-Q200 WeakPolarHBondContact O-CB 3.3Å; Y196-Q200 WeakPolarHBondContact O-CG 3.21Å; Y196-Q200 PolarHBondContact O-N 2.82Å; S197-Q200 PolarHBondContact O-N 3.47Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.05Å; Q200-S203 PolarHBondContact O-N 2.99Å; Q200-Y204 HydrophobicContact CB-CD2 3.8Å; Q200-Y204 HydrophobicContact CB-CE2 3.92Å; Q200-Y204 HydrophobicContact CG-CD2 3.99Å; Q200-Y204 HydrophobicContact CG-CE2 3.61Å; Q200-Y204 PolarHBondContact NE2-OH 3.22Å; Q200-Y204 VanDerWaalsContact O-CB 3.22Å; Q200-Y204 WeakPolarHBondContact O-CB 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3Å; Q200-Y204 PolarHBondContact O-N 3.22Å
201R47.7Very low44.4Very low221 Ų221117.4 Ų117.483%0.83458%0.579SS**Hα-helixtrans-58.7-37177-109.2-176.9-179.9-166.30.5113.9S197 I199S197-R201 PolarHBondContact O-N 3.32Å; S197-R201 VanDerWaalsContact O-N 3.17Å; I199-R201 VanDerWaalsContact C-N 3.28Å; I199-R201 PolarHBondContact O-N 3.2Å
202F45.5Very low44.3Very low176 Ų176117 Ų11777%0.77257%0.57SS**Hα-helixtrans-83.4-37.2177.9-94.4-81.1000113.4I199 Q200I199-F202 PolarHBondContact O-N 2.84Å; Q200-F202 VanDerWaalsContact C-N 3.29Å; Q200-F202 PolarHBondContact O-N 3.05Å
203S46.1Very low44.1Very low50 Ų50118.6 Ų118.635%0.3558%0.575SS.*Hα-helixtrans-83.4-26.1-173.7-148.50000113.4I199 Q200 S205I199-S203 VanDerWaalsContact O-CB 3.29Å; I199-S203 WeakPolarHBondContact O-CB 3.07Å; I199-S203 PolarHBondContact O-N 2.92Å; Q200-S203 PolarHBondContact O-N 2.99Å; S203-S205 VanDerWaalsContact C-N 3.25Å; S203-S205 PolarHBondContact O-N 3.25Å
204Y39.2Very low43.7Very low149 Ų149115 Ų11558%0.58457%0.566SS**THydrogen-bonded Turntrans-67.7-20.3179-95.5-104.3000114.2Q200 S206Q200-Y204 HydrophobicContact CB-CD2 3.8Å; Q200-Y204 HydrophobicContact CB-CE2 3.92Å; Q200-Y204 HydrophobicContact CG-CD2 3.99Å; Q200-Y204 HydrophobicContact CG-CE2 3.61Å; Q200-Y204 PolarHBondContact NE2-OH 3.22Å; Q200-Y204 VanDerWaalsContact O-CB 3.22Å; Q200-Y204 WeakPolarHBondContact O-CB 3.15Å; Q200-Y204 WeakPolarHBondContact O-CD2 3Å; Q200-Y204 PolarHBondContact O-N 3.22Å; Y204-S206 PolarHBondContact O-N 3.01Å
205S42.5Very low43.4Very low113 Ų113115.2 Ų115.279%0.7956%0.556SS**THydrogen-bonded Turntrans-74.9-22-170.8-165.90000114.4S203S203-S205 VanDerWaalsContact C-N 3.25Å; S203-S205 PolarHBondContact O-N 3.25Å
206S44.2Very low43Very low91 Ų91115.6 Ų115.664%0.63656%0.563SS**THydrogen-bonded Turntrans-125-43-167.6174.20000116.6Y204Y204-S206 PolarHBondContact O-N 3.01Å
207S46Very low42.6Very low67 Ų67120.8 Ų120.847%0.46958%0.582SS.*SBendtrans-107.1-18-162.6-74.80000116.8
208Y36.7Very low42Very low88 Ų88122.4 Ų122.435%0.34558%0.584SS.*SBendtrans-86.2-16.9-177.9-85.7-79000115.2R210 L211 F212Y208-R210 PolarHBondContact O-N 3.38Å; Y208-L211 PolarHBondContact O-N 2.66Å; Y208-F212 PolarHBondContact O-N 3.17Å
209R36.8Very low41.5Very low202 Ų202122.3 Ų122.376%0.76258%0.584SS**Hα-helixtrans-62.5-30176.4-153.5179.8-134.9-140.34.8112.4
210R41.6Very low41.1Very low210 Ų210124.5 Ų124.579%0.79260%0.602SS**Hα-helixtrans-83.4-23.2-178.7-62.8-164.3-147.11775.2115.1Y208 G214Y208-R210 PolarHBondContact O-N 3.38Å; R210-G214 PolarHBondContact O-N 3.14Å
211L43.4Very low40.8Very low115 Ų115126.8 Ų126.860%0.60262%0.621SS**Hα-helixtrans-83.7-36.5179.5-103.7154.5000111.8Y208 G214 Q215Y208-L211 PolarHBondContact O-N 2.66Å; L211-G214 PolarHBondContact O-N 3Å; L211-Q215 PolarHBondContact O-N 3.18Å
212F38.1Very low40.5Very low146 Ų146121 Ų12164%0.6462%0.615SS**Hα-helixtrans-71-34.5176.2-120-88000112.9Y208 G214 Q215 N216Y208-F212 PolarHBondContact O-N 3.17Å; F212-G214 VanDerWaalsContact C-N 3.31Å; F212-Q215 PolarHBondContact O-N 3.18Å; F212-N216 PolarHBondContact O-N 3.48Å
213E41.8Very low40.1Very low131 Ų131117.4 Ų117.461%0.61261%0.612SS**Hα-helixtrans-69-29.4171.9-79.9-179.7169.500112.7
214G36.4Very low39.6Very low40 Ų40122.4 Ų122.441%0.41263%0.633SS.*Hα-helixtrans-72-33.317600000113.5R210 L211 F212R210-G214 PolarHBondContact O-N 3.14Å; L211-G214 PolarHBondContact O-N 3Å; F212-G214 VanDerWaalsContact C-N 3.31Å
215Q40.3Very low39.7Very low122 Ų122120.9 Ų120.957%0.5764%0.644SS**Hα-helixtrans-83.4-36.9-176.5-160.4160.2-13.500112.7L211 F212 R217 N218 D219L211-Q215 PolarHBondContact O-N 3.18Å; F212-Q215 PolarHBondContact O-N 3.18Å; Q215-R217 PolarHBondContact O-N 2.78Å; Q215-N218 PolarHBondContact O-N 3.34Å; Q215-D219 PolarHBondContact O-N 3.42Å
216N35.3Very low39.6Very low113 Ų113128.6 Ų128.660%0.60467%0.667SS**Hα-helixtrans-65.3-20175.6-90.6-1.3000114F212 S220F212-N216 PolarHBondContact O-N 3.48Å; N216-S220 PolarHBondContact O-OG 3.11Å; N216-S220 VanDerWaalsContact O-OG 3.08Å
217R36.6Very low39.3Very low200 Ų200130.5 Ų130.576%0.75567%0.669SS**THydrogen-bonded Turntrans-83.6-18.2178.2-158.7170.8-178.6174.30.2113.6Q215Q215-R217 PolarHBondContact O-N 2.78Å
218N37.7Very low39Very low116 Ų116133.8 Ų133.862%0.6268%0.679SS**THydrogen-bonded Turntrans-94-27.4179.8-75.3-3.3000113.1Q215 S220Q215-N218 PolarHBondContact O-N 3.34Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å
219D37.5Very low39.1Very low114 Ų114136.3 Ų136.361%0.6170%0.698SS**THydrogen-bonded Turntrans-81-7.4179.1-74.6-17.7000113.9Q215Q215-D219 PolarHBondContact O-N 3.42Å
220S43.4Very low39.2Very low81 Ų81132.5 Ų132.557%0.56669%0.694SS**THydrogen-bonded Turntrans-95.4-0.2179.438.70000115N216 N218N216-S220 PolarHBondContact O-OG 3.11Å; N216-S220 VanDerWaalsContact O-OG 3.08Å; N218-S220 VanDerWaalsContact C-N 3.31Å; N218-S220 PolarHBondContact O-N 2.9Å
221T40.3Very low39.1Very low118 Ų118127.6 Ų127.672%0.72469%0.688SS**SBendtrans-123.35.1-179.126.30000116.1
222S41.2Very low38.8Very low100 Ų100128.5 Ų128.570%0.69969%0.694SS**SBendtrans-109.110.6178.658.80000115.2
223S37.8Very low38.9Very low100 Ų100127.2 Ų127.270%0.69970%0.698SS**SBendtrans-112.643.3171.758.80000112.9
224I35.3Very low38.6Very low155 Ų155126.9 Ų126.980%0.79570%0.704SS**  trans-142.485.3164.8-53.8177.8000108.7
225S41.8Very low38.8Very low117 Ų117134.2 Ų134.282%0.81873%0.728SS**  trans172.883.6143.657.60000109.1
226E39Very low38.7Very low274 Ų274135.3 Ų135.3100%1.2874%0.743SS**  trans-75.70140.9-79.2-176.9138.100108.9

Retrieved 226 of 226 residues in 285.3 ms (Link to these results)