A0A087XC90_POEFO Loading...

Myeloid ecotropic viral integration site 3

AlphaFold DB , UniProt , Accession A0A087XC90, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 399 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
1M46.6Very low38Very low240 Ų240185.2 Ų185.2100%1.18284%0.839SS**  045.80-161.3175.5-101.600109.1
2E35.1Very low37.7Very low174 Ų174180.2 Ų180.281%0.81384%0.842SS**  trans-130.34.8-149.5-159.6161.2-165.800112.5
3K33.3Very low37.2Very low203 Ų203171 Ų17188%0.88383%0.826SS**SBendtrans-109.224.1-175.4-65.1-168.4172.7-1710113.8
4R42.5Very low37.2Very low216 Ų216166.4 Ų166.482%0.81582%0.82SS**SBendtrans-123-2.6179.4-147.2-179.8-169.11744.5114.4
5Y35.3Very low37.1Very low204 Ų204168.5 Ų168.580%0.883%0.827SS**SBendtrans-99.9-19.5-177.4-99.9-85.5000114.3
6E37.6Very low36.9Very low161 Ų161162.2 Ų162.275%0.75282%0.819SS**SBendtrans-79.1-22.3178.7-63.7-175132.300113.4L8E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.36Å
7E39.9Very low36.8Very low169 Ų169163.3 Ų163.379%0.7982%0.823SS**THydrogen-bonded Turntrans-78.4-9.6-169.3-154.1172.7-163.900114.3
8L39.1Very low37.6Very low162 Ų162159.8 Ų159.885%0.84881%0.814SS**THydrogen-bonded Turntrans-101.5-4.7-178.1-108.579.2000115.5E6E6-L8 VanDerWaalsContact C-N 3.32Å; E6-L8 PolarHBondContact O-N 3.36Å
9V39.5Very low37.5Very low112 Ų112158.8 Ų158.868%0.67982%0.816SS**SBendtrans-97.2-14-170.6-171.10000113.2
10H40.5Very low37.3Very low167 Ų167154.6 Ų154.677%0.77381%0.813SS**  trans-120.881.1-173.4-79.5-65.7000114.6
11Y28.8Very low37.1Very low229 Ų229150.3 Ų150.390%0.89881%0.806SS**  trans-156.9103.4141.2-140.1-100.6000113.2
12S34.6Very low36.5Very low125 Ų125149.8 Ų149.887%0.87479%0.793SS**  trans-155.1114.1164.8-173.80000110.4
13G31.3Very low36.6Very low61 Ų61145.1 Ų145.163%0.62979%0.791SS**  trans71.1156.4-179.500000115.1
14S37.1Very low36.6Very low106 Ų106142.8 Ų142.874%0.74179%0.789SS**  cis-174.5165.8-17.237.90000108.3
15E35.5Very low36.9Very low198 Ų198140 Ų14093%0.92579%0.79SS**  trans73.7137.9176.3-42.6-172.6120.900115.7
16G33.6Very low37.1Very low68 Ų68137 Ų13770%0.70179%0.792SS**  cis171.5144.1-12.500000113.8
17M34.6Very low37.3Very low181 Ų181140.6 Ų140.689%0.89280%0.799SS**  trans72.6160.2159.5-59.2-72.4-86.500118.9
18P51.5Low37.2Very low101 Ų101137 Ų13766%0.65680%0.798SS**  -139.4177.5-65.639.8-22.5000114
19V36.2Very low37.3Very low141 Ų141136.8 Ų136.886%0.85580%0.797SS**  trans158.1125.9137.2157.50000111.5
20G32.8Very low37.8Very low73 Ų73136.5 Ų136.575%0.75380%0.797SS**  trans52.4126.9150.300000121.1
21G33Very low38.2Very low65 Ų65133.4 Ų133.467%0.6779%0.792SS**  cis138.182.5-3.500000113.5
22Y34.4Very low38.8Very low229 Ų229129 Ų12990%0.89879%0.791SS**  trans-145130.5163-35.2-83.1000107.1
23G37.3Very low39.2Very low76 Ų76130.8 Ų130.878%0.78479%0.786SS**  trans-99.115217800000111.8
24D33.4Very low39.7Very low155 Ų155137.2 Ų137.283%0.82979%0.793SS**  trans-153.3150.8147.4-153.5-114.6000109.4V26D24-V26 PolarHBondContact O-N 3.41Å
25D48.4Very low39.9Very low158 Ų158134.9 Ų134.985%0.84579%0.786SS**  trans-73.2108.5-164.9-94.3-91.1000114.1
26V40.4Very low40.5Very low139 Ų139131.5 Ų131.584%0.84278%0.781SS**  trans-123.2103.3160.7-800000111.9D24 A28D24-V26 PolarHBondContact O-N 3.41Å; V26-A28 PolarHBondContact O-N 2.75Å
27R41.1Very low41.4Very low238 Ų238131.9 Ų131.990%0.89878%0.777SS**  trans-37.9103.3170.3-179.9179.3-179.6134.3-4.7112.3L29R27-L29 PolarHBondContact O-N 2.97Å; R27-L29 VanDerWaalsContact O-N 3.13Å
28A38.2Very low42.3Very low94 Ų94129 Ų12978%0.77776%0.764SS**PPolyproline II helixtrans-59.2116.8175.700000110.6V26V26-A28 PolarHBondContact O-N 2.75Å
29L41.3Very low42.5Very low156 Ų156127.8 Ų127.882%0.81776%0.757SS**PPolyproline II helixtrans-65.3135.3165.7-73.2164.9000108.2R27R27-L29 PolarHBondContact O-N 2.97Å; R27-L29 VanDerWaalsContact O-N 3.13Å
30P50.3Low43.6Very low106 Ų106127.2 Ų127.269%0.68875%0.749SS**PPolyproline II helixtrans-62.1143.5173.727.3-33.7000109.5
31P49.3Very low44.8Very low103 Ų103127 Ų12767%0.66974%0.735SS**PPolyproline II helixtrans-58141.6175.525.1-33.8000109.7Q33P31-Q33 PolarHBondContact O-N 3.21Å
32P40.8Very low46Very low135 Ų135129 Ų12988%0.87773%0.73SS**  trans-63.3106-176.425.3-33.5000109.9Y34P32-Y34 PolarHBondContact O-N 2.75Å
33Q43.3Very low47.3Very low163 Ų163123.7 Ų123.776%0.76271%0.712SS**  trans-73125.3178.6-67.8-128.326.200110.1P31P31-Q33 PolarHBondContact O-N 3.21Å
34Y41Very low48.5Very low196 Ų196125.6 Ų125.677%0.76970%0.7SS**  trans49.382.6158.3-74.9-91.5000116.8P32P32-Y34 PolarHBondContact O-N 2.75Å
35G41.8Very low49.9Very low58 Ų58122.5 Ų122.560%0.59868%0.681SS**  trans-60.7151.4133.300000109.3A37G35-A37 PolarHBondContact O-N 3.23Å; G35-A37 VanDerWaalsContact O-N 3.15Å
36P48Very low50.9Low127 Ų127119.9 Ų119.983%0.82566%0.661SS**  trans-60124-179.123.6-30.7000109.2I38P36-I38 PolarHBondContact O-N 2.87Å
37A52.6Low52.3Low75 Ų75117 Ų11762%0.6264%0.641SS**  trans-56115.9174.400000108G35 P39G35-A37 PolarHBondContact O-N 3.23Å; G35-A37 VanDerWaalsContact O-N 3.15Å; A37-P39 WeakPolarHBondContact O-CD 3.32Å; A37-P39 VanDerWaalsContact O-N 3.14Å
38I52.7Low53.6Low120 Ų120108.4 Ų108.462%0.61561%0.612SS**  trans-55.1122.6168.4-65.5-179.1000105.2P36 D40 L42P36-I38 PolarHBondContact O-N 2.87Å; I38-D40 PolarHBondContact O-N 3.41Å; I38-L42 HydrophobicContact CG2-CB 3.91Å; I38-L42 HydrophobicContact CG2-CD1 4.44Å
39P56.5Low55Low77 Ų77106.7 Ų106.750%0.559%0.589SS.*  trans-46.4127.6-176.2-30.232.6000110.4A37 S41 L42 K43A37-P39 WeakPolarHBondContact O-CD 3.32Å; A37-P39 VanDerWaalsContact O-N 3.14Å; P39-S41 CarbonylContact O-C 3.39Å; P39-S41 PolarHBondContact O-N 3.18Å; P39-L42 HydrophobicContact CG-CD1 4.37Å; P39-L42 PolarHBondContact O-N 3.02Å; P39-K43 PolarHBondContact O-N 2.87Å
40D59.5Low56.3Low128 Ų128105.2 Ų105.268%0.68457%0.573SS**Hα-helixtrans-54.8-28.5-174.8-70.3-71.7000112.1I38 K43 H44I38-D40 PolarHBondContact O-N 3.41Å; D40-K43 PolarHBondContact O-N 2.96Å; D40-H44 WeakPolarHBondContact O-CB 3.4Å; D40-H44 PolarHBondContact O-N 3.15Å
41S58.1Low57.2Low68 Ų68103.3 Ų103.348%0.47657%0.572SS.*Hα-helixtrans-52.7-53.1166.7-177.80000113.4P39 K43 H44 H45P39-S41 CarbonylContact O-C 3.39Å; P39-S41 PolarHBondContact O-N 3.18Å; S41-K43 VanDerWaalsContact C-N 3.32Å; S41-K43 PolarHBondContact O-N 3.3Å; S41-H44 PolarHBondContact O-N 3.45Å; S41-H45 PolarHBondContact O-N 3.34Å; S41-H45 PolarHBondContact O-ND1 3.02Å; S41-H45 PolarHBondContact OG-CE1 3.33Å; S41-H45 PolarHBondContact OG-ND1 3.27Å
42L58.1Low58Low107 Ų10798.6 Ų98.656%0.5654%0.542SS*.Hα-helixtrans-64.4-36.9179.3-74.5179.2000112I38 P39 K46I38-L42 HydrophobicContact CG2-CB 3.91Å; I38-L42 HydrophobicContact CG2-CD1 4.44Å; P39-L42 HydrophobicContact CG-CD1 4.37Å; P39-L42 PolarHBondContact O-N 3.02Å; L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 PolarHBondContact O-N 3.04Å
43K61.4Low59.3Low119 Ų11994.9 Ų94.952%0.51752%0.517SS..Hα-helixtrans-63.3-45.9174.7-165-177.9177.3-169.20110.6P39 D40 S41 K46 D47P39-K43 PolarHBondContact O-N 2.87Å; D40-K43 PolarHBondContact O-N 2.96Å; S41-K43 VanDerWaalsContact C-N 3.32Å; S41-K43 PolarHBondContact O-N 3.3Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 3.13Å; K43-D47 PolarHBondContact O-N 3.46Å
44H61.7Low60.4Low115 Ų11587.4 Ų87.453%0.53248%0.483SS..Hα-helixtrans-62.9-42.9176.7-171.752000113.1D40 S41 K46 D47 Q48D40-H44 WeakPolarHBondContact O-CB 3.4Å; D40-H44 PolarHBondContact O-N 3.15Å; S41-H44 PolarHBondContact O-N 3.45Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.77Å; H44-D47 PolarHBondContact O-N 3.26Å; H44-Q48 PolarHBondContact CD2-NE2 3Å; H44-Q48 PolarHBondContact NE2-NE2 3.39Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 2.92Å
45H64.4Low61.8Low91 Ų9180.9 Ų80.942%0.42146%0.458SS..Hα-helixtrans-62.2-41.7173.2-74.980.7000111.5S41 D47 Q48 I49S41-H45 PolarHBondContact O-N 3.34Å; S41-H45 PolarHBondContact O-ND1 3.02Å; S41-H45 PolarHBondContact OG-CE1 3.33Å; S41-H45 PolarHBondContact OG-ND1 3.27Å; H45-D47 VanDerWaalsContact C-N 3.35Å; H45-Q48 PolarHBondContact O-N 3.13Å; H45-I49 WeakPolarHBondContact O-CD1 3.32Å; H45-I49 VanDerWaalsContact O-CG1 3.27Å; H45-I49 WeakPolarHBondContact O-CG1 3.25Å; H45-I49 PolarHBondContact O-N 3.13Å
46K68.4Low63.4Low102 Ų10282 Ų8244%0.44346%0.455SS..Hα-helixtrans-63-42.2177.2-161.6-159.266149.90111.4L42 K43 H44 I49 Y50L42-K46 VanDerWaalsContact O-CB 3.25Å; L42-K46 WeakPolarHBondContact O-CB 3.32Å; L42-K46 PolarHBondContact O-N 3.04Å; K43-K46 WeakPolarHBondContact O-CB 3.37Å; K43-K46 PolarHBondContact O-N 3.13Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.77Å; K46-I49 PolarHBondContact O-N 2.84Å; K46-Y50 HydrophobicContact CD-CD2 4.35Å; K46-Y50 HydrophobicContact CD-CE2 3.6Å; K46-Y50 HydrophobicContact CG-CD2 3.96Å; K46-Y50 HydrophobicContact CG-CE2 3.48Å; K46-Y50 VanDerWaalsContact CG-CE2 3.48Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 3.14Å
47D69.3Low64.3Low78 Ų7876.8 Ų76.842%0.41742%0.42SS..Hα-helixtrans-71.6-32.4178.2-61.4-22.4000111.7K43 H44 H45 G51K43-D47 PolarHBondContact O-N 3.46Å; H44-D47 PolarHBondContact O-N 3.26Å; H45-D47 VanDerWaalsContact C-N 3.35Å; D47-G51 PolarHBondContact O-N 3.06Å
48Q68.6Low65.2Low59 Ų5973.8 Ų73.828%0.27639%0.394SS..Hα-helixtrans-64.6-40.5168.4-73.3178.228.500112.4H44 H45 H52 L107H44-Q48 PolarHBondContact CD2-NE2 3Å; H44-Q48 PolarHBondContact NE2-NE2 3.39Å; H44-Q48 WeakPolarHBondContact O-CG 3.37Å; H44-Q48 PolarHBondContact O-N 2.92Å; H45-Q48 PolarHBondContact O-N 3.13Å; Q48-H52 PolarHBondContact O-N 2.93Å; Q48-L107 HydrophobicContact CB-CD2 3.8Å
49I67Low66.3Low57 Ų5769.9 Ų69.929%0.29238%0.379SS..Hα-helixtrans-65.2-45175.7-69.5159.4000110.5H45 K46 H52 F55 L107 M111H45-I49 WeakPolarHBondContact O-CD1 3.32Å; H45-I49 VanDerWaalsContact O-CG1 3.27Å; H45-I49 WeakPolarHBondContact O-CG1 3.25Å; H45-I49 PolarHBondContact O-N 3.13Å; K46-I49 PolarHBondContact O-N 2.84Å; I49-H52 WeakPolarHBondContact O-CB 3.45Å; I49-H52 PolarHBondContact O-N 3.35Å; I49-F55 HydrophobicContact CG2-CD2 4.15Å; I49-F55 WeakPolarHBondContact O-CB 3.32Å; I49-F55 WeakPolarHBondContact O-CD2 3.41Å; I49-L107 HydrophobicContact CG1-CD1 3.83Å; I49-M111 HydrophobicContact CG2-SD 4.25Å
50Y69.5Low67Low126 Ų12669.4 Ų69.449%0.49437%0.372SS..Hα-helixtrans-69.8-31.6178.1-71.6-51.3000113.5K46 H52 F55K46-Y50 HydrophobicContact CD-CD2 4.35Å; K46-Y50 HydrophobicContact CD-CE2 3.6Å; K46-Y50 HydrophobicContact CG-CD2 3.96Å; K46-Y50 HydrophobicContact CG-CE2 3.48Å; K46-Y50 VanDerWaalsContact CG-CE2 3.48Å; K46-Y50 WeakPolarHBondContact O-CD2 3.45Å; K46-Y50 PolarHBondContact O-N 3.14Å; Y50-H52 VanDerWaalsContact C-N 3.25Å; Y50-H52 PolarHBondContact O-N 3.34Å; Y50-F55 HydrophobicContact CD1-CD1 4.35Å; Y50-F55 AromaticContact CD1-CD2 4Å; Y50-F55 HydrophobicContact CD1-CD2 4Å; Y50-F55 AromaticContact CD1-CE1 3.83Å; Y50-F55 HydrophobicContact CD1-CE1 3.83Å; Y50-F55 AromaticContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CE2 3.43Å; Y50-F55 VanDerWaalsContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CG 4.45Å; Y50-F55 AromaticContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CE1-CE1 4.32Å; Y50-F55 AromaticContact CE1-CE2 3.6Å; Y50-F55 HydrophobicContact CE1-CE2 3.6Å; Y50-F55 AromaticContact CE1-CZ 3.48Å; Y50-F55 HydrophobicContact CE1-CZ 3.48Å; Y50-F55 VanDerWaalsContact CE1-CZ 3.48Å
51G68.3Low67.5Low65 Ų6563.3 Ų63.367%0.6734%0.339SS*.THydrogen-bonded Turntrans-79.5-0.3173.600000114.7D47D47-G51 PolarHBondContact O-N 3.06Å
52H67.3Low68.2Low5 Ų565.3 Ų65.32%0.02334%0.34CS..  trans-74.7137.7-174.6-152.9-93.6000111.8Q48 I49 Y50 L54 F55 D108 M111Q48-H52 PolarHBondContact O-N 2.93Å; I49-H52 WeakPolarHBondContact O-CB 3.45Å; I49-H52 PolarHBondContact O-N 3.35Å; Y50-H52 VanDerWaalsContact C-N 3.25Å; Y50-H52 PolarHBondContact O-N 3.34Å; H52-L54 WeakPolarHBondContact ND1-CB 3.42Å; H52-L54 PolarHBondContact ND1-N 2.88Å; H52-L54 PolarHBondContact O-N 3.49Å; H52-L54 VanDerWaalsContact O-N 3.1Å; H52-F55 HydrophobicContact CB-CB 4.28Å; H52-F55 WeakPolarHBondContact O-CB 3.48Å; H52-F55 PolarHBondContact O-N 3.34Å; H52-D108 IonicContact CE1-OD1 2.87Å; H52-D108 PolarHBondContact CE1-OD1 3.48Å; H52-D108 IonicContact NE2-OD1 3.7Å; H52-D108 PolarHBondContact NE2-OD1 2.92Å; H52-M111 HydrophobicContact CB-CE 4.06Å
53P68.4Low68.9Low56 Ų5666.2 Ų66.236%0.36434%0.341SS..THydrogen-bonded Turntrans-62.3-21.9176.730.6-41.8000113.3P56 I100P53-P56 WeakPolarHBondContact O-CD 3.27Å; P53-I100 WeakPolarHBondContact CG-O 3.37Å
54L65.8Low69.1Low7 Ų762.4 Ų62.44%0.03732%0.324CS..THydrogen-bonded Turntrans-86.3-6.8175.7-51.2-178.3000113.2H52 L57 L58 F90 I94 M111 I112 I115H52-L54 WeakPolarHBondContact ND1-CB 3.42Å; H52-L54 PolarHBondContact ND1-N 2.88Å; H52-L54 PolarHBondContact O-N 3.49Å; H52-L54 VanDerWaalsContact O-N 3.1Å; L54-L57 PolarHBondContact O-N 3.22Å; L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 PolarHBondContact O-N 2.94Å; L54-F90 HydrophobicContact CD2-CE1 3.76Å; L54-F90 HydrophobicContact CD2-CZ 4.49Å; L54-I94 HydrophobicContact CD2-CD1 3.53Å; L54-I94 HydrophobicContact CD2-CG1 4.29Å; L54-M111 HydrophobicContact CB-CB 4.17Å; L54-M111 HydrophobicContact CB-CE 4.05Å; L54-M111 HydrophobicContact CD1-CB 3.8Å; L54-I112 HydrophobicContact CD1-CD1 4.48Å; L54-I112 HydrophobicContact CD1-CG1 3.78Å; L54-I115 HydrophobicContact CB-CD1 4.12Å
55F70.9Confident69.3Low58 Ų5857.6 Ų57.625%0.25430%0.303SS..Hα-helixtrans-62.1-42180-176.4-97.1000113.6I49 Y50 H52 L57 L58 A59 M111I49-F55 HydrophobicContact CG2-CD2 4.15Å; I49-F55 WeakPolarHBondContact O-CB 3.32Å; I49-F55 WeakPolarHBondContact O-CD2 3.41Å; Y50-F55 HydrophobicContact CD1-CD1 4.35Å; Y50-F55 AromaticContact CD1-CD2 4Å; Y50-F55 HydrophobicContact CD1-CD2 4Å; Y50-F55 AromaticContact CD1-CE1 3.83Å; Y50-F55 HydrophobicContact CD1-CE1 3.83Å; Y50-F55 AromaticContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CE2 3.43Å; Y50-F55 VanDerWaalsContact CD1-CE2 3.43Å; Y50-F55 HydrophobicContact CD1-CG 4.45Å; Y50-F55 AromaticContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CD1-CZ 3.36Å; Y50-F55 HydrophobicContact CE1-CE1 4.32Å; Y50-F55 AromaticContact CE1-CE2 3.6Å; Y50-F55 HydrophobicContact CE1-CE2 3.6Å; Y50-F55 AromaticContact CE1-CZ 3.48Å; Y50-F55 HydrophobicContact CE1-CZ 3.48Å; Y50-F55 VanDerWaalsContact CE1-CZ 3.48Å; H52-F55 HydrophobicContact CB-CB 4.28Å; H52-F55 WeakPolarHBondContact O-CB 3.48Å; H52-F55 PolarHBondContact O-N 3.34Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.88Å; F55-L58 PolarHBondContact O-N 3.25Å; F55-A59 HydrophobicContact CE1-CB 4.21Å; F55-A59 HydrophobicContact CZ-CB 4.25Å; F55-A59 WeakPolarHBondContact O-CB 3.27Å; F55-A59 PolarHBondContact O-N 2.91Å; F55-M111 HydrophobicContact CB-CE 4.28Å
56P75.2Confident69.5Low82 Ų8259.5 Ų59.553%0.53231%0.313SS..Hα-helixtrans-60.1-40.1175.9-24.835.9000113P53 L60P53-P56 WeakPolarHBondContact O-CD 3.27Å; P56-L60 WeakPolarHBondContact O-CB 3.28Å; P56-L60 PolarHBondContact O-N 3.42Å
57L67.7Low69.4Low17 Ų1759.7 Ų59.79%0.08932%0.318CS..Hα-helixtrans-67.9-44.3174.5179.361.3000111.1L54 F55 A59 L60 V61 I87 F90 I115L54-L57 PolarHBondContact O-N 3.22Å; F55-L57 VanDerWaalsContact C-N 3.33Å; F55-L57 PolarHBondContact O-N 2.88Å; L57-A59 VanDerWaalsContact C-N 3.31Å; L57-A59 PolarHBondContact O-N 3.45Å; L57-L60 PolarHBondContact O-N 2.91Å; L57-V61 HydrophobicContact CD1-CG2 4.04Å; L57-V61 HydrophobicContact CG-CG2 4.25Å; L57-V61 WeakPolarHBondContact O-CB 3.2Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.84Å; L57-I87 HydrophobicContact CD1-CG1 4.4Å; L57-F90 HydrophobicContact CB-CD1 4.01Å; L57-F90 HydrophobicContact CB-CE1 3.65Å; L57-F90 HydrophobicContact CB-CE2 4.45Å; L57-F90 HydrophobicContact CB-CG 4.5Å; L57-F90 HydrophobicContact CB-CZ 3.92Å; L57-F90 HydrophobicContact CD2-CB 4.37Å; L57-F90 HydrophobicContact CD2-CD1 3.32Å; L57-F90 HydrophobicContact CD2-CE1 3.72Å; L57-F90 HydrophobicContact CD2-CG 4.01Å; L57-F90 HydrophobicContact CG-CD1 4.18Å; L57-F90 HydrophobicContact CG-CE1 4.29Å; L57-I115 HydrophobicContact CB-CD1 4.45Å; L57-I115 HydrophobicContact CD2-CD1 4.01Å; L57-I115 HydrophobicContact CD2-CG2 4.12Å; L57-I115 HydrophobicContact CG-CD1 4.2Å
58L70.7Confident68.9Low13 Ų1357.9 Ų57.97%0.06831%0.314CS..Hα-helixtrans-59.4-42.8177.7-178.163.4000111.7L54 F55 V61 F62 M111 A114 I115 L118L54-L58 WeakPolarHBondContact O-CB 3.41Å; L54-L58 PolarHBondContact O-N 2.94Å; F55-L58 PolarHBondContact O-N 3.25Å; L58-V61 PolarHBondContact O-N 2.95Å; L58-F62 HydrophobicContact CD1-CD2 3.96Å; L58-F62 HydrophobicContact CD1-CE2 3.62Å; L58-F62 HydrophobicContact CD2-CE2 4.19Å; L58-F62 HydrophobicContact CG-CD2 3.86Å; L58-F62 HydrophobicContact CG-CE2 3.72Å; L58-F62 VanDerWaalsContact O-CD2 3.22Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.39Å; L58-M111 HydrophobicContact CB-CE 4.07Å; L58-M111 HydrophobicContact CD2-CE 3.54Å; L58-M111 HydrophobicContact CD2-SD 3.71Å; L58-M111 HydrophobicContact CG-CE 4.44Å; L58-A114 HydrophobicContact CD1-CB 4.13Å; L58-I115 HydrophobicContact CB-CD1 4.47Å; L58-I115 HydrophobicContact CB-CG1 4.27Å; L58-I115 HydrophobicContact CD1-CG1 3.98Å; L58-L118 HydrophobicContact CD1-CD1 3.59Å
59A74.7Confident68.5Low37 Ų3759 Ų5931%0.30633%0.325SS..Hα-helixtrans-63.3-45.1176.200000112.2F55 L57 V61 F62 E63F55-A59 HydrophobicContact CE1-CB 4.21Å; F55-A59 HydrophobicContact CZ-CB 4.25Å; F55-A59 WeakPolarHBondContact O-CB 3.27Å; F55-A59 PolarHBondContact O-N 2.91Å; L57-A59 VanDerWaalsContact C-N 3.31Å; L57-A59 PolarHBondContact O-N 3.45Å; A59-V61 VanDerWaalsContact C-N 3.34Å; A59-V61 PolarHBondContact O-N 2.97Å; A59-F62 PolarHBondContact O-N 3.33Å; A59-E63 PolarHBondContact O-N 2.96Å
60L71.4Confident67.9Low67 Ų6759.8 Ų59.835%0.35134%0.335SS..Hα-helixtrans-64.1-37.6177.1-174.9151.7000112.2P56 L57 K64 F83P56-L60 WeakPolarHBondContact O-CB 3.28Å; P56-L60 PolarHBondContact O-N 3.42Å; L57-L60 PolarHBondContact O-N 2.91Å; L60-K64 HydrophobicContact CD2-CD 4.05Å; L60-K64 PolarHBondContact O-N 2.88Å; L60-K64 VanDerWaalsContact O-N 3.08Å; L60-F83 HydrophobicContact CD2-CD2 4.22Å; L60-F83 HydrophobicContact CD2-CE2 4Å
61V71.4Confident67.1Low0 Ų062.9 Ų62.90%036%0.356CS..Hα-helixtrans-65.5-41.9172.71740000110.7L57 L58 A59 K64 C65 F83 L118L57-V61 HydrophobicContact CD1-CG2 4.04Å; L57-V61 HydrophobicContact CG-CG2 4.25Å; L57-V61 WeakPolarHBondContact O-CB 3.2Å; L57-V61 WeakPolarHBondContact O-CG2 3.42Å; L57-V61 PolarHBondContact O-N 2.84Å; L58-V61 PolarHBondContact O-N 2.95Å; A59-V61 VanDerWaalsContact C-N 3.34Å; A59-V61 PolarHBondContact O-N 2.97Å; V61-K64 PolarHBondContact O-N 3.17Å; V61-C65 PolarHBondContact O-N 3.2Å; V61-C65 PolarHBondContact O-SG 2.95Å; V61-F83 HydrophobicContact CG1-CZ 4.48Å; V61-F83 HydrophobicContact CG2-CE2 4.02Å; V61-F83 HydrophobicContact CG2-CZ 3.93Å; V61-L118 HydrophobicContact CG1-CB 3.48Å; V61-L118 VanDerWaalsContact CG1-CB 3.48Å; V61-L118 HydrophobicContact CG1-CD1 4.06Å; V61-L118 HydrophobicContact CG1-CG 4.39Å
62F71.6Confident66.1Low111 Ų11163.2 Ų63.249%0.48735%0.352SS..Hα-helixtrans-64.1-45.2175.5-88.7-62.3000112.9L58 A59 K64 C65 E66 L118L58-F62 HydrophobicContact CD1-CD2 3.96Å; L58-F62 HydrophobicContact CD1-CE2 3.62Å; L58-F62 HydrophobicContact CD2-CE2 4.19Å; L58-F62 HydrophobicContact CG-CD2 3.86Å; L58-F62 HydrophobicContact CG-CE2 3.72Å; L58-F62 VanDerWaalsContact O-CD2 3.22Å; L58-F62 WeakPolarHBondContact O-CD2 3.33Å; L58-F62 PolarHBondContact O-N 3.39Å; A59-F62 PolarHBondContact O-N 3.33Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.3Å; F62-C65 WeakPolarHBondContact O-CB 3.45Å; F62-C65 PolarHBondContact O-N 3.46Å; F62-C65 VanDerWaalsContact O-N 3.15Å; F62-E66 PolarHBondContact O-N 3.32Å; F62-L118 HydrophobicContact CD1-CD1 4.21Å; F62-L118 HydrophobicContact CD1-CD2 4.32Å; F62-L118 HydrophobicContact CD2-CD1 4.18Å; F62-L118 HydrophobicContact CE1-CD1 3.86Å; F62-L118 HydrophobicContact CE1-CD2 3.86Å; F62-L118 HydrophobicContact CE2-CD1 3.83Å; F62-L118 HydrophobicContact CG-CD1 4.35Å; F62-L118 HydrophobicContact CZ-CD1 3.65Å; F62-L118 HydrophobicContact CZ-CD2 4.34Å
63E73.9Confident65.1Low126 Ų12670.2 Ų70.259%0.58939%0.39SS*.Hα-helixtrans-59.1-43.4176.9-176175.9-167.500111.1A59 E66 L67A59-E63 PolarHBondContact O-N 2.96Å; E63-E66 PolarHBondContact O-N 2.98Å; E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.48Å
64K65.8Low63.9Low38 Ų3874.9 Ų74.917%0.16541%0.407CS..Hα-helixtrans-66.3-36.8174-78-179.8170.9-71.10113.3L60 V61 F62 A68 V77 F83 L122L60-K64 HydrophobicContact CD2-CD 4.05Å; L60-K64 PolarHBondContact O-N 2.88Å; L60-K64 VanDerWaalsContact O-N 3.08Å; V61-K64 PolarHBondContact O-N 3.17Å; F62-K64 VanDerWaalsContact C-N 3.32Å; F62-K64 PolarHBondContact O-N 3.3Å; K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 2.92Å; K64-V77 PolarHBondContact NZ-O 3.27Å; K64-F83 HydrophobicContact CD-CB 4.47Å; K64-F83 HydrophobicContact CD-CD2 3.37Å; K64-F83 HydrophobicContact CD-CE2 3.63Å; K64-F83 HydrophobicContact CD-CG 4.03Å; K64-F83 HydrophobicContact CD-CZ 4.48Å; K64-L122 HydrophobicContact CB-CD2 4.26Å
65C65.9Low63.1Low14 Ų1480.1 Ų80.110%0.09544%0.444CS..Hα-helixtrans-62.1-44171.2-72.90000112.2V61 F62 A68 T69 L122V61-C65 PolarHBondContact O-N 3.2Å; V61-C65 PolarHBondContact O-SG 2.95Å; F62-C65 WeakPolarHBondContact O-CB 3.45Å; F62-C65 PolarHBondContact O-N 3.46Å; F62-C65 VanDerWaalsContact O-N 3.15Å; C65-A68 PolarHBondContact O-N 3.23Å; C65-T69 WeakPolarHBondContact O-CG2 3.14Å; C65-T69 PolarHBondContact O-N 3.25Å; C65-T69 VanDerWaalsContact O-N 3.12Å; C65-T69 PolarHBondContact O-OG1 3.36Å; C65-L122 HydrophobicContact CB-CD1 4.49Å
66E67.9Low62Low132 Ų13283.6 Ų83.662%0.61747%0.465SS*.Hα-helixtrans-61.4-51.2176.9-172.6172.1175.900110.6F62 E63 A68 T69 C70F62-E66 PolarHBondContact O-N 3.32Å; E63-E66 PolarHBondContact O-N 2.98Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.89Å; E66-T69 PolarHBondContact O-N 3.48Å; E66-T69 PolarHBondContact O-OG1 2.83Å; E66-C70 WeakPolarHBondContact O-CB 3.27Å; E66-C70 PolarHBondContact O-N 3.02Å
67L66.5Low60.9Low105 Ų10583.6 Ų83.655%0.5546%0.463SS..Hα-helixtrans-58.2-39.4176.7-69.6170.8000113E63 T69 C70E63-L67 HydrophobicContact CG-CD1 4.25Å; E63-L67 WeakPolarHBondContact O-CB 3.2Å; E63-L67 VanDerWaalsContact O-CG 3.29Å; E63-L67 WeakPolarHBondContact O-CG 3.36Å; E63-L67 PolarHBondContact O-N 3.48Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.4Å; L67-C70 PolarHBondContact O-N 3.04Å
68A59.1Low59.9Low40 Ų4085.5 Ų85.533%0.33148%0.477SS..Hα-helixtrans-68.6-27.5176.700000113.4K64 C65 E66 L122K64-A68 VanDerWaalsContact O-CB 3.29Å; K64-A68 WeakPolarHBondContact O-CB 3.46Å; K64-A68 PolarHBondContact O-N 2.92Å; C65-A68 PolarHBondContact O-N 3.23Å; E66-A68 VanDerWaalsContact C-N 3.32Å; E66-A68 PolarHBondContact O-N 2.89Å; A68-L122 HydrophobicContact CB-CD1 3.57Å
69T60Low59Low83 Ų8388.8 Ų88.851%0.50950%0.501SS..Hα-helixtrans-86.1-27.2175.360.70000113.5C65 E66 L67 M71 L125C65-T69 WeakPolarHBondContact O-CG2 3.14Å; C65-T69 PolarHBondContact O-N 3.25Å; C65-T69 VanDerWaalsContact O-N 3.12Å; C65-T69 PolarHBondContact O-OG1 3.36Å; E66-T69 PolarHBondContact O-N 3.48Å; E66-T69 PolarHBondContact O-OG1 2.83Å; L67-T69 VanDerWaalsContact C-N 3.31Å; L67-T69 PolarHBondContact O-N 3.4Å; T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 VanDerWaalsContact O-N 3.15Å; T69-L125 HydrophobicContact CG2-CD1 4Å
70C53.8Low58.1Low74 Ų7489.4 Ų89.450%0.550%0.503SS..SBendtrans-79.790.6175.8-76.20000110.9E66 L67 A72E66-C70 WeakPolarHBondContact O-CB 3.27Å; E66-C70 PolarHBondContact O-N 3.02Å; L67-C70 PolarHBondContact O-N 3.04Å; C70-A72 VanDerWaalsContact C-N 3.28Å; C70-A72 PolarHBondContact O-N 2.89Å
71M53Low57.3Low191 Ų19193.6 Ų93.694%0.94152%0.521SS*.  trans-6375.6176.3-65.9-178.962.500113.5T69T69-M71 PolarHBondContact O-N 2.96Å; T69-M71 VanDerWaalsContact O-N 3.15Å
72A47.7Very low56.7Low71 Ų7196.9 Ų96.959%0.58754%0.544SS*.SBendtrans-160.9112.3167.600000113.8C70C70-A72 VanDerWaalsContact C-N 3.28Å; C70-A72 PolarHBondContact O-N 2.89Å
73N45.3Very low56.2Low153 Ų15391.7 Ų91.782%0.81852%0.521SS*.SBendtrans65.950.1137-48-11.8000119.5
74H42.9Very low55.8Low154 Ų15487.8 Ų87.871%0.71351%0.505SS*.  trans-146.3102.6148.2-108-79.2000110.7D76 V77H74-D76 PolarHBondContact O-N 3.46Å; H74-V77 HydrophobicContact CB-CB 4.28Å; H74-V77 HydrophobicContact CB-CG2 3.81Å; H74-V77 WeakPolarHBondContact ND1-CG2 3.47Å
75S49.1Very low56.1Low117 Ų11791.4 Ų91.482%0.81853%0.526SS*.THydrogen-bonded Turntrans-68.7-8.7-177.334.90000115
76D48.6Very low56.2Low130 Ų13094.4 Ų94.470%0.69554%0.541SS*.THydrogen-bonded Turntrans-133.313.4-160.5-56.4-86000114H74H74-D76 PolarHBondContact O-N 3.46Å
77V52.1Low56.3Low82 Ų8289.4 Ų89.450%0.49752%0.518SS..SBendtrans-111.2-5.4-171-177.70000113.9K64 H74K64-V77 PolarHBondContact NZ-O 3.27Å; H74-V77 HydrophobicContact CB-CB 4.28Å; H74-V77 HydrophobicContact CB-CG2 3.81Å; H74-V77 WeakPolarHBondContact ND1-CG2 3.47Å
78C47.3Very low56.3Low57 Ų5786.1 Ų86.139%0.38551%0.506SS..  trans-144.572.9171.9-148.10000112.4S80 E126C78-S80 PolarHBondContact O-N 3.1Å; C78-E126 PolarHBondContact SG-OE1 3.1Å
79S51.7Low56.7Low82 Ų8286.9 Ų86.957%0.57351%0.513SS*.  trans-66113.8149.9-640000107.2E81 S82S79-E81 PolarHBondContact O-N 2.91Å; S79-S82 PolarHBondContact O-N 3.06Å
80S54.2Low57Low50 Ų5085.9 Ų85.935%0.3550%0.501SS..Hα-helixtrans-57.4-23-176.7540000113.2C78 N84 E126C78-S80 PolarHBondContact O-N 3.1Å; S80-N84 PolarHBondContact O-N 3.36Å; S80-N84 PolarHBondContact O-ND2 3.1Å; S80-E126 VanDerWaalsContact CB-OE2 3.23Å; S80-E126 WeakPolarHBondContact CB-OE2 3.26Å
81E55.2Low57.4Low155 Ų15584.1 Ų84.172%0.72449%0.492SS*.Hα-helixtrans-60.7-50.1169.5-78.5169.470.100113.3S79 F83 N84 D85S79-E81 PolarHBondContact O-N 2.91Å; E81-F83 PolarHBondContact O-N 2.93Å; E81-N84 PolarHBondContact O-N 3.42Å; E81-D85 PolarHBondContact O-N 2.88Å
82S58.3Low58Low69 Ų6981.7 Ų81.748%0.48348%0.476SS..Hα-helixtrans-58.5-36.6-178.9-175.30000112.2S79 D85 D86S79-S82 PolarHBondContact O-N 3.06Å; S82-D85 PolarHBondContact O-N 3.07Å; S82-D86 VanDerWaalsContact O-CG 3.29Å; S82-D86 PolarHBondContact O-N 3.43Å
83F61.1Low58.8Low2 Ų282.6 Ų82.61%0.00947%0.468CS..Hα-helixtrans-74.4-33.4178175-114.2000112.9L60 V61 K64 E81 D85 I87 L122L60-F83 HydrophobicContact CD2-CD2 4.22Å; L60-F83 HydrophobicContact CD2-CE2 4Å; V61-F83 HydrophobicContact CG1-CZ 4.48Å; V61-F83 HydrophobicContact CG2-CE2 4.02Å; V61-F83 HydrophobicContact CG2-CZ 3.93Å; K64-F83 HydrophobicContact CD-CB 4.47Å; K64-F83 HydrophobicContact CD-CD2 3.37Å; K64-F83 HydrophobicContact CD-CE2 3.63Å; K64-F83 HydrophobicContact CD-CG 4.03Å; K64-F83 HydrophobicContact CD-CZ 4.48Å; E81-F83 PolarHBondContact O-N 2.93Å; F83-D85 VanDerWaalsContact C-N 3.33Å; F83-I87 HydrophobicContact CD1-CD1 3.88Å; F83-I87 HydrophobicContact CD2-CD1 4.22Å; F83-I87 HydrophobicContact CD2-CG1 4.47Å; F83-I87 HydrophobicContact CE1-CD1 3.43Å; F83-I87 VanDerWaalsContact CE1-CD1 3.43Å; F83-I87 HydrophobicContact CE2-CD1 3.83Å; F83-I87 HydrophobicContact CE2-CG1 4.22Å; F83-I87 HydrophobicContact CG-CD1 4.28Å; F83-I87 HydrophobicContact CZ-CD1 3.45Å; F83-I87 VanDerWaalsContact CZ-CD1 3.45Å; F83-I87 HydrophobicContact CZ-CG1 4.32Å; F83-I87 WeakPolarHBondContact O-CB 3.34Å; F83-I87 VanDerWaalsContact O-CG1 3.32Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 2.99Å; F83-L122 HydrophobicContact CD1-CD2 4Å; F83-L122 HydrophobicContact CE1-CD2 3.42Å; F83-L122 VanDerWaalsContact CE1-CD2 3.42Å; F83-L122 HydrophobicContact CZ-CD2 3.76Å
84N66.2Low59.5Low45 Ų4578.5 Ų78.524%0.24145%0.446CS..Hα-helixtrans-67.5-36.1170.7-80.3-76.7000111.2S80 E81 A88 R119S80-N84 PolarHBondContact O-N 3.36Å; S80-N84 PolarHBondContact O-ND2 3.1Å; E81-N84 PolarHBondContact O-N 3.42Å; N84-A88 WeakPolarHBondContact O-CB 3.3Å; N84-A88 PolarHBondContact O-N 3.47Å; N84-R119 PolarHBondContact OD1-NH2 3.26Å
85D71.2Confident60.3Low114 Ų11478.7 Ų78.761%0.6144%0.44SS*.Hα-helixtrans-66.8-42.8172.9-82.6-25.7000112.5E81 S82 F83 I87 A88 A89E81-D85 PolarHBondContact O-N 2.88Å; S82-D85 PolarHBondContact O-N 3.07Å; F83-D85 VanDerWaalsContact C-N 3.33Å; D85-I87 PolarHBondContact O-N 3.22Å; D85-A88 PolarHBondContact O-N 2.99Å; D85-A89 VanDerWaalsContact O-CB 3.25Å; D85-A89 WeakPolarHBondContact O-CB 3.32Å; D85-A89 PolarHBondContact O-N 3.23Å
86D68.1Low60.8Low77 Ų7777.3 Ų77.341%0.41243%0.431SS..Hα-helixtrans-60-45.9173.9-72.4-38.3000111.7S82 A89 F90S82-D86 VanDerWaalsContact O-CG 3.29Å; S82-D86 PolarHBondContact O-N 3.43Å; D86-A89 PolarHBondContact O-N 2.85Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.43Å
87I70.3Confident60.8Low26 Ų2676.8 Ų76.813%0.13342%0.424CS..Hα-helixtrans-62.7-42.6174.6-71.3167.8000110.9L57 F83 D85 F90 A91 R119L57-I87 HydrophobicContact CD1-CG1 4.4Å; F83-I87 HydrophobicContact CD1-CD1 3.88Å; F83-I87 HydrophobicContact CD2-CD1 4.22Å; F83-I87 HydrophobicContact CD2-CG1 4.47Å; F83-I87 HydrophobicContact CE1-CD1 3.43Å; F83-I87 VanDerWaalsContact CE1-CD1 3.43Å; F83-I87 HydrophobicContact CE2-CD1 3.83Å; F83-I87 HydrophobicContact CE2-CG1 4.22Å; F83-I87 HydrophobicContact CG-CD1 4.28Å; F83-I87 HydrophobicContact CZ-CD1 3.45Å; F83-I87 VanDerWaalsContact CZ-CD1 3.45Å; F83-I87 HydrophobicContact CZ-CG1 4.32Å; F83-I87 WeakPolarHBondContact O-CB 3.34Å; F83-I87 VanDerWaalsContact O-CG1 3.32Å; F83-I87 WeakPolarHBondContact O-CG1 3.49Å; F83-I87 PolarHBondContact O-N 2.99Å; D85-I87 PolarHBondContact O-N 3.22Å; I87-F90 PolarHBondContact O-N 3.37Å; I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.21Å; I87-R119 HydrophobicContact CD1-CG 4.4Å
88A67.2Low60.7Low36 Ų3682.5 Ų82.530%0.29844%0.442SS..Hα-helixtrans-69.6-36.7-179.300000112.1N84 D85 K92N84-A88 WeakPolarHBondContact O-CB 3.3Å; N84-A88 PolarHBondContact O-N 3.47Å; D85-A88 PolarHBondContact O-N 2.99Å; A88-K92 WeakPolarHBondContact O-CB 3.43Å; A88-K92 WeakPolarHBondContact O-CD 3.47Å; A88-K92 WeakPolarHBondContact O-CG 3.2Å; A88-K92 PolarHBondContact O-N 2.93Å
89A68.2Low61.1Low57 Ų5784 Ų8447%0.47145%0.451SS..Hα-helixtrans-64.3-46172.400000110.7D85 D86 K92 Q93D85-A89 VanDerWaalsContact O-CB 3.25Å; D85-A89 WeakPolarHBondContact O-CB 3.32Å; D85-A89 PolarHBondContact O-N 3.23Å; D86-A89 PolarHBondContact O-N 2.85Å; A89-K92 WeakPolarHBondContact O-CB 3.46Å; A89-K92 PolarHBondContact O-N 2.83Å; A89-Q93 PolarHBondContact O-N 2.84Å
90F65.5Low61.1Low62 Ų6286.9 Ų86.927%0.27246%0.459SS..Hα-helixtrans-65.9-40.2176.9-159.3-98.3000112.4L54 L57 D86 I87 K92 Q93 I94L54-F90 HydrophobicContact CD2-CE1 3.76Å; L54-F90 HydrophobicContact CD2-CZ 4.49Å; L57-F90 HydrophobicContact CB-CD1 4.01Å; L57-F90 HydrophobicContact CB-CE1 3.65Å; L57-F90 HydrophobicContact CB-CE2 4.45Å; L57-F90 HydrophobicContact CB-CG 4.5Å; L57-F90 HydrophobicContact CB-CZ 3.92Å; L57-F90 HydrophobicContact CD2-CB 4.37Å; L57-F90 HydrophobicContact CD2-CD1 3.32Å; L57-F90 HydrophobicContact CD2-CE1 3.72Å; L57-F90 HydrophobicContact CD2-CG 4.01Å; L57-F90 HydrophobicContact CG-CD1 4.18Å; L57-F90 HydrophobicContact CG-CE1 4.29Å; D86-F90 WeakPolarHBondContact O-CB 3.36Å; D86-F90 PolarHBondContact O-N 3.43Å; I87-F90 PolarHBondContact O-N 3.37Å; F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 2.92Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 2.94Å; F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.26Å; F90-I94 HydrophobicContact CE1-CD1 3.67Å; F90-I94 HydrophobicContact CE1-CG1 4.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 3.43Å
91A62.9Low61.2Low37 Ų3789.3 Ų89.331%0.30646%0.463SS..Hα-helixtrans-66.8-29.4173.800000113I87 R95I87-A91 VanDerWaalsContact O-CB 3.24Å; I87-A91 WeakPolarHBondContact O-CB 3.26Å; I87-A91 PolarHBondContact O-N 3.21Å; A91-R95 WeakPolarHBondContact O-CD 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 2.89Å
92K64.6Low61.1Low140 Ų14083.5 Ų83.561%0.60944%0.44SS*.Hα-helixtrans-70.9-45.3169.3-75.8165.7-175.5171.30110.8A88 A89 F90 I94 R95 S96A88-K92 WeakPolarHBondContact O-CB 3.43Å; A88-K92 WeakPolarHBondContact O-CD 3.47Å; A88-K92 WeakPolarHBondContact O-CG 3.2Å; A88-K92 PolarHBondContact O-N 2.93Å; A89-K92 WeakPolarHBondContact O-CB 3.46Å; A89-K92 PolarHBondContact O-N 2.83Å; F90-K92 VanDerWaalsContact C-N 3.31Å; F90-K92 PolarHBondContact O-N 2.92Å; K92-I94 PolarHBondContact O-N 2.95Å; K92-R95 CarbonylContact O-C 3.6Å; K92-R95 WeakPolarHBondContact O-CA 3.49Å; K92-R95 WeakPolarHBondContact O-CB 3.41Å; K92-R95 PolarHBondContact O-N 3.27Å; K92-S96 PolarHBondContact O-N 2.91Å; K92-S96 PolarHBondContact O-OG 3.4Å; K92-S96 VanDerWaalsContact O-OG 3.1Å
93Q64.8Low61.2Low90 Ų9086.8 Ų86.842%0.42146%0.463SS..Hα-helixtrans-55.4-48.5177.4-170.870.11200111.8A89 F90 R95 S96 E97A89-Q93 PolarHBondContact O-N 2.84Å; F90-Q93 WeakPolarHBondContact O-CB 3.41Å; F90-Q93 PolarHBondContact O-N 2.94Å; Q93-R95 PolarHBondContact O-N 3.05Å; Q93-S96 WeakPolarHBondContact CA-OG 3.46Å; Q93-S96 PolarHBondContact O-N 3.21Å; Q93-S96 PolarHBondContact O-OG 3.39Å; Q93-S96 VanDerWaalsContact O-OG 3.07Å; Q93-E97 PolarHBondContact NE2-OE1 2.97Å; Q93-E97 PolarHBondContact NE2-OE2 3.31Å; Q93-E97 PolarHBondContact O-N 2.88Å
94I59.3Low61.4Low67 Ų6789 Ų8934%0.34448%0.475SS..Hα-helixtrans-60-28.8176-66162.4000112.5L54 F90 K92 F101L54-I94 HydrophobicContact CD2-CD1 3.53Å; L54-I94 HydrophobicContact CD2-CG1 4.29Å; F90-I94 HydrophobicContact CD1-CD1 3.56Å; F90-I94 HydrophobicContact CD1-CG1 4.26Å; F90-I94 HydrophobicContact CE1-CD1 3.67Å; F90-I94 HydrophobicContact CE1-CG1 4.29Å; F90-I94 WeakPolarHBondContact O-CG1 3.34Å; F90-I94 PolarHBondContact O-N 3.43Å; K92-I94 PolarHBondContact O-N 2.95Å; I94-F101 HydrophobicContact CG2-CZ 4.44Å
95R59.7Low61.3Low157 Ų15790.9 Ų90.959%0.59249%0.489SS*.Hα-helixtrans-87.5-28.9178.5-73.8172.4173.8162.8-7.9113.3A91 K92 Q93A91-R95 WeakPolarHBondContact O-CD 3.44Å; A91-R95 WeakPolarHBondContact O-CG 3.24Å; A91-R95 PolarHBondContact O-N 2.89Å; K92-R95 CarbonylContact O-C 3.6Å; K92-R95 WeakPolarHBondContact O-CA 3.49Å; K92-R95 WeakPolarHBondContact O-CB 3.41Å; K92-R95 PolarHBondContact O-N 3.27Å; Q93-R95 PolarHBondContact O-N 3.05Å
96S60.4Low61.2Low89 Ų8992.8 Ų92.862%0.62249%0.494SS*.Hα-helixtrans-82.7-32179.649.90000113.1K92 Q93K92-S96 PolarHBondContact O-N 2.91Å; K92-S96 PolarHBondContact O-OG 3.4Å; K92-S96 VanDerWaalsContact O-OG 3.1Å; Q93-S96 WeakPolarHBondContact CA-OG 3.46Å; Q93-S96 PolarHBondContact O-N 3.21Å; Q93-S96 PolarHBondContact O-OG 3.39Å; Q93-S96 VanDerWaalsContact O-OG 3.07Å
97E48.9Very low61.3Low119 Ų11989.8 Ų89.856%0.55648%0.478SS*.SBendtrans-97.6118.7177.4-67-177.3156.300110.6Q93Q93-E97 PolarHBondContact NE2-OE1 2.97Å; Q93-E97 PolarHBondContact NE2-OE2 3.31Å; Q93-E97 PolarHBondContact O-N 2.88Å
98K50.4Low61.2Low201 Ų20188.9 Ų88.987%0.87447%0.474SS*.PPolyproline II helixtrans-60145.2173.6-87.1-179.9176.4174.40110.3
99P55.7Low61.4Low89 Ų8991.4 Ų91.458%0.57848%0.482SS*.PPolyproline II helixtrans-83.7139.7-132.929.8-36.8000113.2F101P99-F101 VanDerWaalsContact C-N 3.29Å; P99-F101 HydrophobicContact CB-CB 4.17Å; P99-F101 HydrophobicContact CB-CD2 3.46Å; P99-F101 VanDerWaalsContact CB-CD2 3.46Å; P99-F101 HydrophobicContact CB-CE2 4.12Å; P99-F101 HydrophobicContact CB-CG 4.01Å; P99-F101 HydrophobicContact CG-CD2 4.18Å
100I52Low61.7Low142 Ų14293.6 Ų93.673%0.72849%0.485SS*.  trans-100.436.5153.1-28.9177.2000109.7P53 S102P53-I100 WeakPolarHBondContact CG-O 3.37Å; I100-S102 PolarHBondContact O-N 2.85Å
101F55.7Low61.9Low101 Ų10191 Ų9144%0.44347%0.474SS..  trans-47.3137.3156.8-76.9-47.8000107.5I94 P99 D108 I112I94-F101 HydrophobicContact CG2-CZ 4.44Å; P99-F101 VanDerWaalsContact C-N 3.29Å; P99-F101 HydrophobicContact CB-CB 4.17Å; P99-F101 HydrophobicContact CB-CD2 3.46Å; P99-F101 VanDerWaalsContact CB-CD2 3.46Å; P99-F101 HydrophobicContact CB-CE2 4.12Å; P99-F101 HydrophobicContact CB-CG 4.01Å; P99-F101 HydrophobicContact CG-CD2 4.18Å; F101-D108 VanDerWaalsContact CA-OD1 3.28Å; F101-D108 WeakPolarHBondContact CA-OD1 3.24Å; F101-D108 HydrophobicContact CD1-CB 3.7Å; F101-D108 VanDerWaalsContact CD1-CG 3.47Å; F101-D108 VanDerWaalsContact CD1-OD1 3.27Å; F101-D108 WeakPolarHBondContact CD1-OD1 3.36Å; F101-D108 HydrophobicContact CE1-CB 4.18Å; F101-D108 HydrophobicContact CG-CB 4.42Å; F101-I112 HydrophobicContact CE1-CD1 4.28Å
102S53.6Low62.2Low33 Ų3392 Ų9223%0.23147%0.474CS..  trans-59.6163.5-177.481.60000109.5I100 N104 D108I100-S102 PolarHBondContact O-N 2.85Å; S102-N104 PolarHBondContact O-N 3.42Å; S102-N104 PolarHBondContact OG-N 2.93Å; S102-N104 VanDerWaalsContact OG-N 3.13Å; S102-N104 PolarHBondContact OG-O 2.76Å; S102-D108 PolarHBondContact N-OD1 3.22Å; S102-D108 PolarHBondContact N-OD2 3.24Å; S102-D108 PolarHBondContact OG-OD2 3.15Å
103S59.6Low62.4Low138 Ų13890.6 Ų90.697%0.96547%0.47SS*.SBendtrans-60.8-3.1172.8-52.40000113.4
104N64.4Low62.6Low49 Ų4987.9 Ų87.926%0.26246%0.463SS..  trans-118.7100176.6-174.3-1.2000112.2S102 E106 L107 D108S102-N104 PolarHBondContact O-N 3.42Å; S102-N104 PolarHBondContact OG-N 2.93Å; S102-N104 VanDerWaalsContact OG-N 3.13Å; S102-N104 PolarHBondContact OG-O 2.76Å; N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 VanDerWaalsContact O-N 3.13Å; N104-E106 WeakPolarHBondContact OD1-CB 3.22Å; N104-E106 PolarHBondContact OD1-N 3.49Å; N104-L107 HydrophobicContact CB-CB 4.25Å; N104-L107 WeakPolarHBondContact O-CB 3.37Å; N104-L107 PolarHBondContact O-N 3.26Å; N104-D108 PolarHBondContact O-N 3.45Å
105P65.5Low63.1Low84 Ų8485.5 Ų85.555%0.54545%0.45SS..Hα-helixtrans-63.9-18.8178.927.6-35.5000113.9L107 D108 N109P105-L107 VanDerWaalsContact C-N 3.35Å; P105-D108 WeakPolarHBondContact CA-OD2 3.38Å; P105-N109 PolarHBondContact O-N 3.26Å; P105-N109 VanDerWaalsContact O-N 3.14Å; P105-N109 PolarHBondContact O-ND2 3.41Å
106E69.6Low63.5Low154 Ų15483.3 Ų83.372%0.7245%0.447SS*.Hα-helixtrans-68.9-37.3174.9-56.5-176.4148.600111N104 L110N104-E106 PolarHBondContact O-N 2.82Å; N104-E106 VanDerWaalsContact O-N 3.13Å; N104-E106 WeakPolarHBondContact OD1-CB 3.22Å; N104-E106 PolarHBondContact OD1-N 3.49Å; E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.46Å
107L69.2Low64.1Low15 Ų1583.9 Ų83.98%0.07945%0.446CS..Hα-helixtrans-69.6-41.1176.8-177.460.4000111.1Q48 I49 N104 P105 N109 L110 M111Q48-L107 HydrophobicContact CB-CD2 3.8Å; I49-L107 HydrophobicContact CG1-CD1 3.83Å; N104-L107 HydrophobicContact CB-CB 4.25Å; N104-L107 WeakPolarHBondContact O-CB 3.37Å; N104-L107 PolarHBondContact O-N 3.26Å; P105-L107 VanDerWaalsContact C-N 3.35Å; L107-N109 VanDerWaalsContact C-N 3.34Å; L107-N109 PolarHBondContact O-N 2.95Å; L107-L110 PolarHBondContact O-N 3.08Å; L107-M111 HydrophobicContact CD1-CG 4.17Å; L107-M111 HydrophobicContact CG-CG 4.37Å; L107-M111 WeakPolarHBondContact O-CB 3.38Å; L107-M111 WeakPolarHBondContact O-CG 3.25Å; L107-M111 PolarHBondContact O-N 3.17Å
108D67.8Low65.1Low6 Ų679.6 Ų79.63%0.03243%0.427CS..Hα-helixtrans-59.4-45.8175.4-60-69000111.3H52 F101 S102 N104 P105 M111 I112H52-D108 IonicContact CE1-OD1 2.87Å; H52-D108 PolarHBondContact CE1-OD1 3.48Å; H52-D108 IonicContact NE2-OD1 3.7Å; H52-D108 PolarHBondContact NE2-OD1 2.92Å; F101-D108 VanDerWaalsContact CA-OD1 3.28Å; F101-D108 WeakPolarHBondContact CA-OD1 3.24Å; F101-D108 HydrophobicContact CD1-CB 3.7Å; F101-D108 VanDerWaalsContact CD1-CG 3.47Å; F101-D108 VanDerWaalsContact CD1-OD1 3.27Å; F101-D108 WeakPolarHBondContact CD1-OD1 3.36Å; F101-D108 HydrophobicContact CE1-CB 4.18Å; F101-D108 HydrophobicContact CG-CB 4.42Å; S102-D108 PolarHBondContact N-OD1 3.22Å; S102-D108 PolarHBondContact N-OD2 3.24Å; S102-D108 PolarHBondContact OG-OD2 3.15Å; N104-D108 PolarHBondContact O-N 3.45Å; P105-D108 WeakPolarHBondContact CA-OD2 3.38Å; D108-M111 PolarHBondContact O-N 2.98Å; D108-I112 WeakPolarHBondContact O-CB 3.46Å; D108-I112 WeakPolarHBondContact O-CD1 3.46Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.2Å; D108-I112 PolarHBondContact O-N 3Å
109N72.2Confident65.8Low90 Ų9074.8 Ų74.848%0.48140%0.403SS..Hα-helixtrans-62.9-42.9175.4-81.9-76.3000112.4P105 L107 I112 Q113P105-N109 PolarHBondContact O-N 3.26Å; P105-N109 VanDerWaalsContact O-N 3.14Å; P105-N109 PolarHBondContact O-ND2 3.41Å; L107-N109 VanDerWaalsContact C-N 3.34Å; L107-N109 PolarHBondContact O-N 2.95Å; N109-I112 PolarHBondContact O-N 3.17Å; N109-Q113 WeakPolarHBondContact O-CB 3.26Å; N109-Q113 VanDerWaalsContact O-CG 3.32Å; N109-Q113 WeakPolarHBondContact O-CG 3.32Å; N109-Q113 PolarHBondContact O-N 3.48Å
110L73.8Confident66.6Low102 Ų10277.6 Ų77.653%0.53441%0.407SS..Hα-helixtrans-62.3-43.6177.4-179.163.6000111.8E106 L107 Q113 A114E106-L110 WeakPolarHBondContact O-CB 3.47Å; E106-L110 PolarHBondContact O-N 3.46Å; L107-L110 PolarHBondContact O-N 3.08Å; L110-Q113 PolarHBondContact O-N 3.34Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.28Å
111M70.3Confident67.3Low7 Ų775.8 Ų75.83%0.03440%0.395CS..Hα-helixtrans-65.6-41.8177.6-68.9-70.4-71.200111.5I49 H52 L54 F55 L58 L107 D108 A114 I115I49-M111 HydrophobicContact CG2-SD 4.25Å; H52-M111 HydrophobicContact CB-CE 4.06Å; L54-M111 HydrophobicContact CB-CB 4.17Å; L54-M111 HydrophobicContact CB-CE 4.05Å; L54-M111 HydrophobicContact CD1-CB 3.8Å; F55-M111 HydrophobicContact CB-CE 4.28Å; L58-M111 HydrophobicContact CB-CE 4.07Å; L58-M111 HydrophobicContact CD2-CE 3.54Å; L58-M111 HydrophobicContact CD2-SD 3.71Å; L58-M111 HydrophobicContact CG-CE 4.44Å; L107-M111 HydrophobicContact CD1-CG 4.17Å; L107-M111 HydrophobicContact CG-CG 4.37Å; L107-M111 WeakPolarHBondContact O-CB 3.38Å; L107-M111 WeakPolarHBondContact O-CG 3.25Å; L107-M111 PolarHBondContact O-N 3.17Å; D108-M111 PolarHBondContact O-N 2.98Å; M111-A114 PolarHBondContact O-N 3.42Å; M111-I115 WeakPolarHBondContact O-CD1 3.48Å; M111-I115 VanDerWaalsContact O-CG1 3.26Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 2.88Å
112I69.1Low67.9Low58 Ų5871.1 Ų71.130%0.29738%0.375SS..Hα-helixtrans-61.8-46.6173.9-71.4161.2000111.1L54 F101 D108 N109 I115 Q116L54-I112 HydrophobicContact CD1-CD1 4.48Å; L54-I112 HydrophobicContact CD1-CG1 3.78Å; F101-I112 HydrophobicContact CE1-CD1 4.28Å; D108-I112 WeakPolarHBondContact O-CB 3.46Å; D108-I112 WeakPolarHBondContact O-CD1 3.46Å; D108-I112 VanDerWaalsContact O-CG1 3.27Å; D108-I112 WeakPolarHBondContact O-CG1 3.2Å; D108-I112 PolarHBondContact O-N 3Å; N109-I112 PolarHBondContact O-N 3.17Å; I112-I115 PolarHBondContact O-N 3.31Å; I112-Q116 HydrophobicContact CG2-CG 4.46Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.34Å; I112-Q116 PolarHBondContact O-N 3.43Å
113Q67.7Low68.4Low112 Ų11272.4 Ų72.452%0.52338%0.379SS..Hα-helixtrans-64.3-41.3178.5-73.3177.721.200112N109 L110 I115 Q116 V117N109-Q113 WeakPolarHBondContact O-CB 3.26Å; N109-Q113 VanDerWaalsContact O-CG 3.32Å; N109-Q113 WeakPolarHBondContact O-CG 3.32Å; N109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.34Å; Q113-I115 PolarHBondContact O-N 2.89Å; Q113-Q116 PolarHBondContact O-N 2.96Å; Q113-V117 WeakPolarHBondContact O-CB 3.4Å; Q113-V117 WeakPolarHBondContact O-CG2 3.17Å; Q113-V117 PolarHBondContact O-N 3.45Å
114A70.8Confident68.9Low33 Ų3369.2 Ų69.227%0.27335%0.348SS..Hα-helixtrans-59.2-46.6175.500000111.5L58 L110 M111 Q116 V117 L118L58-A114 HydrophobicContact CD1-CB 4.13Å; L110-A114 WeakPolarHBondContact O-CB 3.32Å; L110-A114 PolarHBondContact O-N 3.28Å; M111-A114 PolarHBondContact O-N 3.42Å; A114-Q116 PolarHBondContact O-N 2.8Å; A114-V117 PolarHBondContact O-N 3.19Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 3.09Å
115I68.1Low68.9Low17 Ų1769 Ų699%0.08735%0.347CS..Hα-helixtrans-61.9-41.9176.4-68.4163.9000111.2L54 L57 L58 M111 I112 Q113 R119L54-I115 HydrophobicContact CB-CD1 4.12Å; L57-I115 HydrophobicContact CB-CD1 4.45Å; L57-I115 HydrophobicContact CD2-CD1 4.01Å; L57-I115 HydrophobicContact CD2-CG2 4.12Å; L57-I115 HydrophobicContact CG-CD1 4.2Å; L58-I115 HydrophobicContact CB-CD1 4.47Å; L58-I115 HydrophobicContact CB-CG1 4.27Å; L58-I115 HydrophobicContact CD1-CG1 3.98Å; M111-I115 WeakPolarHBondContact O-CD1 3.48Å; M111-I115 VanDerWaalsContact O-CG1 3.26Å; M111-I115 WeakPolarHBondContact O-CG1 3.18Å; M111-I115 PolarHBondContact O-N 2.88Å; I112-I115 PolarHBondContact O-N 3.31Å; Q113-I115 PolarHBondContact O-N 2.89Å; I115-R119 VanDerWaalsContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 3.14Å
116Q68Low68.8Low110 Ų11066.8 Ų66.851%0.51433%0.329SS..Hα-helixtrans-65.2-44.9177.8-73.9172.9-4.600112.9I112 Q113 A114 R119 F120I112-Q116 HydrophobicContact CG2-CG 4.46Å; I112-Q116 VanDerWaalsContact O-CG 3.3Å; I112-Q116 WeakPolarHBondContact O-CG 3.34Å; I112-Q116 PolarHBondContact O-N 3.43Å; Q113-Q116 PolarHBondContact O-N 2.96Å; A114-Q116 PolarHBondContact O-N 2.8Å; Q116-R119 PolarHBondContact O-N 2.94Å; Q116-F120 PolarHBondContact O-N 3.49Å
117V73.4Confident68.6Low102 Ų10265.4 Ų65.462%0.61832%0.321SS*.Hα-helixtrans-66.4-42.9178.9171.10000110.8Q113 A114 F120 H121Q113-V117 WeakPolarHBondContact O-CB 3.4Å; Q113-V117 WeakPolarHBondContact O-CG2 3.17Å; Q113-V117 PolarHBondContact O-N 3.45Å; A114-V117 PolarHBondContact O-N 3.19Å; V117-F120 PolarHBondContact O-N 3.07Å; V117-H121 WeakPolarHBondContact O-CB 3.32Å; V117-H121 PolarHBondContact O-N 3.27Å
118L69.8Low68.2Low28 Ų2870.1 Ų70.115%0.14734%0.341CS..Hα-helixtrans-65.2-38.6175.3-68.8167.2000111.8L58 V61 F62 A114 H121 L122L58-L118 HydrophobicContact CD1-CD1 3.59Å; V61-L118 HydrophobicContact CG1-CB 3.48Å; V61-L118 VanDerWaalsContact CG1-CB 3.48Å; V61-L118 HydrophobicContact CG1-CD1 4.06Å; V61-L118 HydrophobicContact CG1-CG 4.39Å; F62-L118 HydrophobicContact CD1-CD1 4.21Å; F62-L118 HydrophobicContact CD1-CD2 4.32Å; F62-L118 HydrophobicContact CD2-CD1 4.18Å; F62-L118 HydrophobicContact CE1-CD1 3.86Å; F62-L118 HydrophobicContact CE1-CD2 3.86Å; F62-L118 HydrophobicContact CE2-CD1 3.83Å; F62-L118 HydrophobicContact CG-CD1 4.35Å; F62-L118 HydrophobicContact CZ-CD1 3.65Å; F62-L118 HydrophobicContact CZ-CD2 4.34Å; A114-L118 WeakPolarHBondContact O-CB 3.37Å; A114-L118 VanDerWaalsContact O-CG 3.24Å; A114-L118 WeakPolarHBondContact O-CG 3.41Å; A114-L118 PolarHBondContact O-N 3.09Å; L118-H121 PolarHBondContact O-N 2.61Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 2.8Å
119R66.1Low68Low100 Ų10074.5 Ų74.538%0.37737%0.368SS..Hα-helixtrans-59.9-45.8172.4-178.6-177.1-178.7-117.60.2111.9N84 I87 I115 Q116 H121 L122 L123N84-R119 PolarHBondContact OD1-NH2 3.26Å; I87-R119 HydrophobicContact CD1-CG 4.4Å; I115-R119 VanDerWaalsContact O-CB 3.32Å; I115-R119 WeakPolarHBondContact O-CB 3.49Å; I115-R119 PolarHBondContact O-N 3.14Å; Q116-R119 PolarHBondContact O-N 2.94Å; R119-H121 VanDerWaalsContact C-N 3.32Å; R119-H121 PolarHBondContact O-N 2.81Å; R119-L122 PolarHBondContact O-N 2.92Å; R119-L123 HydrophobicContact CG-CD1 4.05Å; R119-L123 WeakPolarHBondContact O-CB 3.2Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.33Å
120F71.4Confident67.4Low148 Ų14875.7 Ų75.765%0.64937%0.37SS*.Hα-helixtrans-62.6-41.3176.3-174.2-92000111.3Q116 V117 E124Q116-F120 PolarHBondContact O-N 3.49Å; V117-F120 PolarHBondContact O-N 3.07Å; F120-E124 VanDerWaalsContact O-CB 3.26Å; F120-E124 WeakPolarHBondContact O-CB 3.46Å; F120-E124 PolarHBondContact O-N 3.32Å
121H68.1Low67Low105 Ų10574.7 Ų74.749%0.48637%0.365SS..Hα-helixtrans-65-42.6177.4-160.766.7000112.5V117 L118 R119 E124 L125V117-H121 WeakPolarHBondContact O-CB 3.32Å; V117-H121 PolarHBondContact O-N 3.27Å; L118-H121 PolarHBondContact O-N 2.61Å; R119-H121 VanDerWaalsContact C-N 3.32Å; R119-H121 PolarHBondContact O-N 2.81Å; H121-E124 PolarHBondContact O-N 3.18Å; H121-L125 WeakPolarHBondContact O-CB 3.01Å; H121-L125 VanDerWaalsContact O-CG 3.26Å; H121-L125 WeakPolarHBondContact O-CG 3.33Å; H121-L125 PolarHBondContact O-N 3.41Å
122L67.1Low66.6Low2 Ų280.6 Ų80.61%0.0140%0.396CS..Hα-helixtrans-65.3-45.4177.6-169.770.5000111.6K64 C65 A68 F83 L118 R119 E124 L125 E126K64-L122 HydrophobicContact CB-CD2 4.26Å; C65-L122 HydrophobicContact CB-CD1 4.49Å; A68-L122 HydrophobicContact CB-CD1 3.57Å; F83-L122 HydrophobicContact CD1-CD2 4Å; F83-L122 HydrophobicContact CE1-CD2 3.42Å; F83-L122 VanDerWaalsContact CE1-CD2 3.42Å; F83-L122 HydrophobicContact CZ-CD2 3.76Å; L118-L122 WeakPolarHBondContact O-CB 3.46Å; L118-L122 PolarHBondContact O-N 2.8Å; R119-L122 PolarHBondContact O-N 2.92Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.49Å; L122-L125 PolarHBondContact O-N 2.92Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.36Å; L122-E126 PolarHBondContact O-N 3.41Å
123L64.8Low66.4Low60 Ų6081.2 Ų81.231%0.31441%0.405SS..Hα-helixtrans-62.4-38.9175.8-71.6171.2000112R119 L125 K127R119-L123 HydrophobicContact CG-CD1 4.05Å; R119-L123 WeakPolarHBondContact O-CB 3.2Å; R119-L123 WeakPolarHBondContact O-CG 3.33Å; R119-L123 PolarHBondContact O-N 3.33Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L123-K127 WeakPolarHBondContact O-CB 3.43Å; L123-K127 PolarHBondContact O-N 3.03Å
124E70.6Confident66.5Low71 Ų7179.6 Ų79.633%0.33240%0.4SS..Hα-helixtrans-69-31.3175.7-178.768.9-175.600112.2F120 H121 L122 K128F120-E124 VanDerWaalsContact O-CB 3.26Å; F120-E124 WeakPolarHBondContact O-CB 3.46Å; F120-E124 PolarHBondContact O-N 3.32Å; H121-E124 PolarHBondContact O-N 3.18Å; L122-E124 VanDerWaalsContact C-N 3.33Å; L122-E124 PolarHBondContact O-N 3.49Å; E124-K128 HydrophobicContact CG-CD 4.48Å; E124-K128 VanDerWaalsContact CG-NZ 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.33Å; E124-K128 WeakPolarHBondContact O-CD 3.46Å; E124-K128 VanDerWaalsContact O-CG 3.24Å; E124-K128 WeakPolarHBondContact O-CG 3.15Å; E124-K128 PolarHBondContact O-N 2.95Å; E124-K128 VanDerWaalsContact O-N 3.1Å; E124-K128 WeakPolarHBondContact OE1-CE 3.44Å; E124-K128 IonicContact OE1-NZ 3.99Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å
125L63.4Low66.6Low44 Ų4483.1 Ų83.123%0.2341%0.414CS..Hα-helixtrans-73.7-52.1173.4-75169.9000111.7T69 H121 L122 L123 K127 K128 V129T69-L125 HydrophobicContact CG2-CD1 4Å; H121-L125 WeakPolarHBondContact O-CB 3.01Å; H121-L125 VanDerWaalsContact O-CG 3.26Å; H121-L125 WeakPolarHBondContact O-CG 3.33Å; H121-L125 PolarHBondContact O-N 3.41Å; L122-L125 PolarHBondContact O-N 2.92Å; L122-L125 VanDerWaalsContact O-N 3.17Å; L123-L125 VanDerWaalsContact C-N 3.34Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.39Å; L125-K128 PolarHBondContact O-N 2.8Å; L125-K128 VanDerWaalsContact O-N 3.17Å; L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 3.44Å
126E63.1Low66.7Low38 Ų3889.1 Ų89.118%0.17844%0.44CS..Hα-helixtrans-56.8-46175.5-75.1-176.1158.100110.7C78 S80 L122 K128 V129 H130C78-E126 PolarHBondContact SG-OE1 3.1Å; S80-E126 VanDerWaalsContact CB-OE2 3.23Å; S80-E126 WeakPolarHBondContact CB-OE2 3.26Å; L122-E126 HydrophobicContact CG-CG 4.48Å; L122-E126 WeakPolarHBondContact O-CB 3.46Å; L122-E126 WeakPolarHBondContact O-CG 3.36Å; L122-E126 PolarHBondContact O-N 3.41Å; E126-K128 PolarHBondContact O-N 2.91Å; E126-V129 PolarHBondContact O-N 2.8Å; E126-H130 WeakPolarHBondContact O-CB 3.33Å; E126-H130 PolarHBondContact O-N 3.17Å
127K65.3Low66.8Low126 Ų12686.2 Ų86.255%0.54843%0.431SS..Hα-helixtrans-61.2-43.9175.6-176.5173.9-1801800112.1L123 L125 V129 H130 D131L123-K127 WeakPolarHBondContact O-CB 3.43Å; L123-K127 PolarHBondContact O-N 3.03Å; L125-K127 VanDerWaalsContact C-N 3.32Å; L125-K127 PolarHBondContact O-N 3.39Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 2.93Å; K127-H130 PolarHBondContact O-N 3.43Å; K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.4Å; K127-D131 PolarHBondContact O-N 2.86Å
128K61.8Low67Low114 Ų11488.1 Ų88.150%0.49643%0.433SS..Hα-helixtrans-64.2-33.4175.1-82.3170.5-176.6147.40113.4E124 L125 E126 L132E124-K128 HydrophobicContact CG-CD 4.48Å; E124-K128 VanDerWaalsContact CG-NZ 3.32Å; E124-K128 WeakPolarHBondContact O-CB 3.33Å; E124-K128 WeakPolarHBondContact O-CD 3.46Å; E124-K128 VanDerWaalsContact O-CG 3.24Å; E124-K128 WeakPolarHBondContact O-CG 3.15Å; E124-K128 PolarHBondContact O-N 2.95Å; E124-K128 VanDerWaalsContact O-N 3.1Å; E124-K128 WeakPolarHBondContact OE1-CE 3.44Å; E124-K128 IonicContact OE1-NZ 3.99Å; E124-K128 PolarHBondContact OE1-NZ 2.92Å; L125-K128 PolarHBondContact O-N 2.8Å; L125-K128 VanDerWaalsContact O-N 3.17Å; E126-K128 PolarHBondContact O-N 2.91Å; K128-L132 WeakPolarHBondContact O-CB 3.48Å; K128-L132 PolarHBondContact O-N 3.12Å
129V62.7Low67.1Low97 Ų9795 Ų9559%0.58846%0.457SS*.Hα-helixtrans-71.6-44.1174.5171.40000110.4L125 E126 K127 L132 C133L125-V129 WeakPolarHBondContact O-CG2 3.24Å; L125-V129 PolarHBondContact O-N 3.44Å; E126-V129 PolarHBondContact O-N 2.8Å; K127-V129 VanDerWaalsContact C-N 3.31Å; K127-V129 PolarHBondContact O-N 2.93Å; V129-L132 PolarHBondContact O-N 2.91Å; V129-C133 WeakPolarHBondContact O-CB 3.29Å; V129-C133 PolarHBondContact O-N 3.5Å
130H59.9Low67.7Low115 Ų11596.9 Ų96.953%0.53247%0.465SS..Hα-helixtrans-64.9-48.4177.3-160.4-69.6000111.9E126 K127 L132 C133 D134E126-H130 WeakPolarHBondContact O-CB 3.33Å; E126-H130 PolarHBondContact O-N 3.17Å; K127-H130 PolarHBondContact O-N 3.43Å; H130-L132 PolarHBondContact O-N 3.43Å; H130-C133 CarbonylContact O-C 3.52Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.2Å; H130-D134 IonicContact CE1-OD1 3.14Å; H130-D134 IonicContact CE1-OD2 3.42Å; H130-D134 PolarHBondContact CE1-OD2 3.27Å; H130-D134 IonicContact ND1-OD1 3.02Å; H130-D134 IonicContact ND1-OD2 2.61Å; H130-D134 PolarHBondContact ND1-OD2 3.15Å; H130-D134 WeakPolarHBondContact O-CB 3.48Å; H130-D134 PolarHBondContact O-N 3.49Å
131D66.1Low68Low81 Ų8194.1 Ų94.143%0.43346%0.456SS..Hα-helixtrans-56.9-35.9175.3-85.1-44000111.8K127 N135K127-D131 WeakPolarHBondContact CG-OD2 3.46Å; K127-D131 VanDerWaalsContact O-CB 3.27Å; K127-D131 WeakPolarHBondContact O-CB 3.4Å; K127-D131 PolarHBondContact O-N 2.86Å; D131-N135 VanDerWaalsContact O-CB 3.3Å; D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 3.42Å
132L62.5Low68.4Low131 Ų13193.2 Ų93.269%0.68646%0.458SS*.Hα-helixtrans-72.2-41.8174.7-122.771.7000112.4K128 V129 H130 N135 F136K128-L132 WeakPolarHBondContact O-CB 3.48Å; K128-L132 PolarHBondContact O-N 3.12Å; V129-L132 PolarHBondContact O-N 2.91Å; H130-L132 PolarHBondContact O-N 3.43Å; L132-N135 PolarHBondContact O-N 3.24Å; L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.91Å
133C64.4Low68.4Low71 Ų7196 Ų9648%0.4848%0.477SS..Hα-helixtrans-63.4-49.2177-166.40000110.4V129 H130 N135 F136 C137V129-C133 WeakPolarHBondContact O-CB 3.29Å; V129-C133 PolarHBondContact O-N 3.5Å; H130-C133 CarbonylContact O-C 3.52Å; H130-C133 WeakPolarHBondContact O-CB 3.41Å; H130-C133 PolarHBondContact O-N 3.2Å; C133-N135 PolarHBondContact O-N 3.46Å; C133-F136 CarbonylContact O-C 3.57Å; C133-F136 WeakPolarHBondContact O-CB 3.47Å; C133-F136 PolarHBondContact O-N 2.83Å; C133-F136 VanDerWaalsContact O-N 3.12Å; C133-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 PolarHBondContact O-N 3.25Å; C133-C137 PolarHBondContact O-SG 3.32Å; C133-C137 VanDerWaalsContact O-SG 3.38Å
134D68.9Low68.8Low79 Ų7996.7 Ų96.742%0.42248%0.481SS..Hα-helixtrans-61-45.1174.6-81.9-21.2000111.7H130 F136 C137 H138H130-D134 IonicContact CE1-OD1 3.14Å; H130-D134 IonicContact CE1-OD2 3.42Å; H130-D134 PolarHBondContact CE1-OD2 3.27Å; H130-D134 IonicContact ND1-OD1 3.02Å; H130-D134 IonicContact ND1-OD2 2.61Å; H130-D134 PolarHBondContact ND1-OD2 3.15Å; H130-D134 WeakPolarHBondContact O-CB 3.48Å; H130-D134 PolarHBondContact O-N 3.49Å; D134-F136 PolarHBondContact O-N 3.31Å; D134-C137 PolarHBondContact O-N 3.08Å; D134-H138 WeakPolarHBondContact O-CB 3.37Å; D134-H138 PolarHBondContact O-N 3.18Å
135N74.1Confident68.5Low107 Ų107101.5 Ų101.557%0.57250%0.501SS*.Hα-helixtrans-59.1-38.1174.9-113.7-98.9000112.3D131 L132 C133 R139D131-N135 VanDerWaalsContact O-CB 3.3Å; D131-N135 WeakPolarHBondContact O-CB 3.48Å; D131-N135 PolarHBondContact O-N 3.42Å; L132-N135 PolarHBondContact O-N 3.24Å; C133-N135 PolarHBondContact O-N 3.46Å; N135-R139 VanDerWaalsContact O-CB 3.29Å; N135-R139 WeakPolarHBondContact O-CB 3.47Å; N135-R139 VanDerWaalsContact O-CG 3.3Å; N135-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 PolarHBondContact O-N 3.44Å; N135-R139 VanDerWaalsContact O-N 3.12Å
136F69.2Low68.6Low142 Ų142102.6 Ų102.662%0.62352%0.523SS*.Hα-helixtrans-68.6-51.5177.3-175.5-97.5000111.1L132 C133 D134 R139 Y140L132-F136 WeakPolarHBondContact O-CB 3.29Å; L132-F136 PolarHBondContact O-N 2.91Å; C133-F136 CarbonylContact O-C 3.57Å; C133-F136 WeakPolarHBondContact O-CB 3.47Å; C133-F136 PolarHBondContact O-N 2.83Å; C133-F136 VanDerWaalsContact O-N 3.12Å; D134-F136 PolarHBondContact O-N 3.31Å; F136-R139 PolarHBondContact O-N 3.05Å; F136-Y140 WeakPolarHBondContact O-CB 3.26Å; F136-Y140 PolarHBondContact O-N 3.34Å
137C71.1Confident68.3Low50 Ų50108.3 Ų108.334%0.33855%0.547SS..Hα-helixtrans-58.2-48.3177-73.50000111.9C133 D134 R139 Y140 I141C133-C137 WeakPolarHBondContact O-CB 3.36Å; C133-C137 PolarHBondContact O-N 3.25Å; C133-C137 PolarHBondContact O-SG 3.32Å; C133-C137 VanDerWaalsContact O-SG 3.38Å; D134-C137 PolarHBondContact O-N 3.08Å; C137-R139 PolarHBondContact O-N 3.12Å; C137-Y140 PolarHBondContact O-N 3.4Å; C137-Y140 VanDerWaalsContact O-N 3.15Å; C137-I141 WeakPolarHBondContact O-CB 3.43Å; C137-I141 WeakPolarHBondContact O-CD1 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.42Å; C137-I141 PolarHBondContact O-N 3.15Å
138H75.8Confident67.6Low141 Ų141108.7 Ų108.765%0.65355%0.552SS**Hα-helixtrans-61.6-46.4179.3-144108.6000110.9D134 Y140 T142D134-H138 WeakPolarHBondContact O-CB 3.37Å; D134-H138 PolarHBondContact O-N 3.18Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 2.95Å; H138-T142 WeakPolarHBondContact O-CB 3.39Å; H138-T142 PolarHBondContact O-N 3.45Å; H138-T142 PolarHBondContact O-OG1 2.91Å
139R73.8Confident66.9Low173 Ų173107.7 Ų107.765%0.65356%0.557SS**Hα-helixtrans-63.6-36.8174.1-78.6-177.458.5-178.6-5.4113.1N135 F136 C137 C143N135-R139 VanDerWaalsContact O-CB 3.29Å; N135-R139 WeakPolarHBondContact O-CB 3.47Å; N135-R139 VanDerWaalsContact O-CG 3.3Å; N135-R139 WeakPolarHBondContact O-CG 3.35Å; N135-R139 PolarHBondContact O-N 3.44Å; N135-R139 VanDerWaalsContact O-N 3.12Å; F136-R139 PolarHBondContact O-N 3.05Å; C137-R139 PolarHBondContact O-N 3.12Å; R139-C143 WeakPolarHBondContact O-CB 3.4Å; R139-C143 PolarHBondContact O-N 2.86Å
140Y77.2Confident66.7Low140 Ų140108.8 Ų108.855%0.54956%0.564SS.*Hα-helixtrans-68.6-47.5179.7-173.4-111.1000110.8F136 C137 H138 C143 L144F136-Y140 WeakPolarHBondContact O-CB 3.26Å; F136-Y140 PolarHBondContact O-N 3.34Å; C137-Y140 PolarHBondContact O-N 3.4Å; C137-Y140 VanDerWaalsContact O-N 3.15Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact O-N 2.95Å; Y140-C143 CarbonylContact O-C 3.09Å; Y140-C143 PolarHBondContact O-N 2.87Å; Y140-L144 HydrophobicContact CD1-CD1 3.71Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CG 4.42Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.48Å
141I78Confident66.1Low89 Ų89110.4 Ų110.446%0.45658%0.577SS.*Hα-helixtrans-60.8-45.3174.5-66.8162.8000111C137 C143 L144 K145C137-I141 WeakPolarHBondContact O-CB 3.43Å; C137-I141 WeakPolarHBondContact O-CD1 3.46Å; C137-I141 WeakPolarHBondContact O-CG1 3.42Å; C137-I141 PolarHBondContact O-N 3.15Å; I141-C143 VanDerWaalsContact C-N 3.32Å; I141-C143 PolarHBondContact O-N 3.08Å; I141-L144 PolarHBondContact O-N 2.7Å; I141-K145 HydrophobicContact CG2-CD 4.28Å; I141-K145 WeakPolarHBondContact O-CB 3.13Å; I141-K145 PolarHBondContact O-N 2.91Å
142T77.7Confident65.5Low87 Ų87114 Ų11453%0.53460%0.596SS.*Hα-helixtrans-61.4-40.3174.9-57.50000111.7H138 G146H138-T142 WeakPolarHBondContact O-CB 3.39Å; H138-T142 PolarHBondContact O-N 3.45Å; H138-T142 PolarHBondContact O-OG1 2.91Å; T142-G146 PolarHBondContact O-N 3.12Å
143C65.7Low65.1Low59 Ų59113.9 Ų113.940%0.39960%0.6SS.*Hα-helixtrans-71.8-30.3179-164.30000112.8R139 Y140 I141 K147R139-C143 WeakPolarHBondContact O-CB 3.4Å; R139-C143 PolarHBondContact O-N 2.86Å; Y140-C143 CarbonylContact O-C 3.09Å; Y140-C143 PolarHBondContact O-N 2.87Å; I141-C143 VanDerWaalsContact C-N 3.32Å; I141-C143 PolarHBondContact O-N 3.08Å; C143-K147 WeakPolarHBondContact O-CB 3.46Å; C143-K147 WeakPolarHBondContact O-CD 3.32Å; C143-K147 VanDerWaalsContact O-CG 3.23Å; C143-K147 WeakPolarHBondContact O-CG 3.03Å; C143-K147 PolarHBondContact SG-NZ 3.39Å
144L73.9Confident64.5Low76 Ų76118.3 Ų118.340%0.39862%0.618SS.*Hα-helixtrans-72.4-50171.3-82.1166.6000111.5Y140 I141 G146 K147 M148Y140-L144 HydrophobicContact CD1-CD1 3.71Å; Y140-L144 HydrophobicContact CE1-CD1 3.4Å; Y140-L144 HydrophobicContact CE1-CG 4.42Å; Y140-L144 HydrophobicContact CG-CD1 4.4Å; Y140-L144 WeakPolarHBondContact O-CB 3.27Å; Y140-L144 PolarHBondContact O-N 3.48Å; I141-L144 PolarHBondContact O-N 2.7Å; L144-G146 PolarHBondContact O-N 3Å; L144-K147 PolarHBondContact O-N 3.31Å; L144-M148 WeakPolarHBondContact O-CG 3.46Å; L144-M148 PolarHBondContact O-N 2.89Å
145K64.2Low63.5Low172 Ų172122 Ų12275%0.74864%0.638SS**Hα-helixtrans-57.1-32.6176.3-82.7-174.6165.6-177.20112.9I141I141-K145 HydrophobicContact CG2-CD 4.28Å; I141-K145 WeakPolarHBondContact O-CB 3.13Å; I141-K145 PolarHBondContact O-N 2.91Å
146G64.5Low62.5Low67 Ų67126.3 Ų126.369%0.69165%0.654SS**THydrogen-bonded Turntrans-84.72.4174.800000115.7T142 L144T142-G146 PolarHBondContact O-N 3.12Å; L144-G146 PolarHBondContact O-N 3Å
147K57.1Low61.3Low157 Ų157131.1 Ų131.168%0.68367%0.668SS**THydrogen-bonded Turntrans-128.4-16.5-177.2-75.7179.5-178.4170.50115C143 L144 P149C143-K147 WeakPolarHBondContact O-CB 3.46Å; C143-K147 WeakPolarHBondContact O-CD 3.32Å; C143-K147 VanDerWaalsContact O-CG 3.23Å; C143-K147 WeakPolarHBondContact O-CG 3.03Å; C143-K147 PolarHBondContact SG-NZ 3.39Å; L144-K147 PolarHBondContact O-N 3.31Å; K147-P149 WeakPolarHBondContact O-CD 3.26Å
148M50.9Low59.9Low134 Ų134138.5 Ų138.566%0.6670%0.698SS**SBendtrans-75.7120.2168.5-68.2-66-72.600108.8L144 T150L144-M148 WeakPolarHBondContact O-CG 3.46Å; L144-M148 PolarHBondContact O-N 2.89Å; M148-T150 PolarHBondContact O-N 3.4Å
149P47.3Very low58.1Low93 Ų93135.3 Ų135.360%0.60470%0.703SS**  trans-63.9128.2171.4-17.631.6000109.6K147 D151K147-P149 WeakPolarHBondContact O-CD 3.26Å; P149-D151 PolarHBondContact O-N 2.97Å
150T58.7Low56.4Low120 Ų120130.6 Ų130.674%0.73671%0.708SS**SBendtrans-70-13.9177.4-11.20000113M148 L152M148-T150 PolarHBondContact O-N 3.4Å; T150-L152 PolarHBondContact O-N 3.06Å
151D48.2Very low54.4Low150 Ų150129.9 Ų129.980%0.80272%0.724SS**THydrogen-bonded Turntrans-72.317.6-173.7-76.3-66.5000116.3P149P149-D151 PolarHBondContact O-N 2.97Å
152L52.4Low52.6Low157 Ų157135 Ų13582%0.82274%0.742SS**THydrogen-bonded Turntrans-121.28.9177.7-72.8175.5000114.5T150T150-L152 PolarHBondContact O-N 3.06Å
153V55Low50.6Low128 Ų128136.1 Ų136.178%0.77675%0.754SS**SBendtrans-131.84.5-178.3-168.90000113.3
154L51.4Low49.3Very low163 Ų163140.1 Ų140.185%0.85377%0.771SS**  trans-132.760.6179.1-69.1177.5000112.9
155D47.8Very low47.6Very low157 Ų157145.3 Ų145.384%0.8480%0.796SS**  trans-134.261.8159.5-149.3-34.7000111.1
156E52.3Low46.8Very low198 Ų198145.7 Ų145.793%0.92580%0.8SS**  trans-144.977.4155.6-81.3-148.910700108.8
157R44.3Very low45.6Very low242 Ų242149.4 Ų149.491%0.91380%0.804SS**  trans-149.674.8169.7-169179.7142.8146.5-6.5113.1
158E40.8Very low44.4Very low206 Ų206151.4 Ų151.496%0.96381%0.813SS**  trans-152.4116.5140.5-146.7169.8148.400112.4
159G37.9Very low43.9Very low74 Ų74148.2 Ų148.276%0.76382%0.815SS**  trans147.4114.3178.700000112.7
160G38.9Very low43.1Very low74 Ų74146.9 Ų146.976%0.76382%0.818SS**  trans-66.8166.7176.600000112.9
161S35Very low42Very low124 Ų124146.2 Ų146.287%0.86782%0.819SS**  cis-163.3158.642.7-63.60000114.2
162K40.2Very low41.2Very low196 Ų196145.6 Ų145.685%0.85282%0.824SS**  trans-28.6125.2161.9178.1-175.4-177.5177.80116.8
163S36Very low40.3Very low111 Ų111143.7 Ų143.778%0.77682%0.819SS**  trans-160.9130.614156.50000112.6
164D38Very low39.4Very low143 Ų143142 Ų14277%0.76581%0.813SS**  trans-53.2146167.3-68-129.6000114
165M39.5Very low38.6Very low186 Ų186142.4 Ų142.492%0.91682%0.815SS**  trans-157.7129.1145.7-168.774172.700107.8
166E46.8Very low38.2Very low179 Ų179139.9 Ų139.984%0.83681%0.81SS**  trans-86.1164.2-179-67.4-159.1114.100113.7
167D39.3Very low37.4Very low145 Ų145138.7 Ų138.778%0.77580%0.804SS**  trans70102.8151.1-156.615.4000119.7
168F31Very low37Very low199 Ų199136 Ų13687%0.87380%0.802SS**  trans-153.9106.9130.6-141.5-96.8000111.4
169G41Very low36.7Very low67 Ų67133.5 Ų133.569%0.69180%0.795SS**  trans-71.4125.6165.900000111.1
170G29.6Very low36.7Very low65 Ų65134.8 Ų134.867%0.6780%0.799SS**  trans-166.9114.4-178.300000114.5
171S35.8Very low36.4Very low107 Ų107136.1 Ų136.175%0.74880%0.796SS**  trans-49.3134.4172.1-176.60000113.5
172C31.3Very low36.3Very low136 Ų136141.6 Ų141.692%0.91980%0.798SS**  trans-104.468.6168.558.70000112.1
173T34.3Very low36.3Very low118 Ų118140.6 Ų140.672%0.72480%0.801SS**  trans-89.1147.3157.747.10000110.3
174S35.5Very low36.1Very low92 Ų92146.7 Ų146.764%0.64381%0.807SS**  trans86.5114.6-178.6-162.30000116.5
175L35.7Very low36Very low172 Ų172148.2 Ų148.290%0.90181%0.81SS**  trans-143.361.8159.4-164.779.7000108.8
176S38.9Very low36.1Very low103 Ų103144.4 Ų144.472%0.7280%0.799SS**  trans-111.9-16.1-170.3-52.90000115.4
177E35.7Very low35.3Very low174 Ų174142.4 Ų142.481%0.81379%0.794SS**SBendtrans-1153.2-159.6-79.8173.688.400116.9
178Q35.3Very low35Very low186 Ų186144.2 Ų144.287%0.86980%0.798SS**SBendtrans-99.112.5-170.3-145.3167.355.900116.3
179N35.6Very low34.9Very low153 Ų153141.2 Ų141.282%0.81880%0.8SS**SBendtrans-106.418.9-173.3-161.337.7000115.6
180A37.6Very low34.3Very low101 Ų101142 Ų14284%0.83580%0.8SS**SBendtrans-112.318.9-16800000116
181S32.1Very low34.4Very low102 Ų102145.8 Ų145.871%0.71381%0.81SS**  trans-12711.1-166.8-162.10000117.9
182W34Very low34.2Very low239 Ų239146.6 Ų146.691%0.90581%0.811SS**  trans-107.720.7-176.3-66.5116.3000115.8
183L40.2Very low34.8Very low175 Ų175145.2 Ų145.292%0.91680%0.8SS**  trans-116.580.2176.8-94.8163.3000112.2
184R31.5Very low34.6Very low239 Ų239147.6 Ų147.690%0.90281%0.808SS**  trans-160.6112.7154.4-93.6-141.5-167.5-148.98.4112.4
185E36.6Very low34.2Very low175 Ų175147.1 Ų147.182%0.81882%0.817SS**  trans-77155.2146-66.5-89.8101.300107.5
186P41.3Very low34.1Very low105 Ų105145 Ų14568%0.68281%0.811SS**  -154.3165.368.441.4-20.5000119.4
187D28.3Very low34.4Very low138 Ų138146.2 Ų146.274%0.73882%0.816SS**  trans52.2137.9144.9-78.6-72.7000126.3
188E33Very low34.1Very low183 Ų183141.1 Ų141.186%0.85581%0.811SS**  trans43.2119.9146.8-64-173.2120.300122.8
189C29Very low33.8Very low136 Ų136138.4 Ų138.492%0.91981%0.807SS**  -170.5152.8105.1-165.60000112
190A30.1Very low33.6Very low83 Ų83137 Ų13769%0.68681%0.808SS**  trans-101.3148.8-17400000114.4
191T29.9Very low33.2Very low144 Ų144136 Ų13688%0.88381%0.807SS**  trans-159.5125.5136.2-7.40000113.6
192T31.8Very low33.1Very low125 Ų125139.2 Ų139.277%0.76782%0.816SS**  trans-81.3171161.146.90000109
193P43.9Very low33.8Very low107 Ų107132.8 Ų132.870%0.69581%0.805SS**  cis-158.9171.138.446.1-23.5000122.8
194L30.8Very low33.3Very low168 Ų168129 Ų12988%0.8879%0.793SS**  trans75.9123.3141.9-115.463.7000122.7
195G28.1Very low33.4Very low81 Ų81126 Ų12684%0.83579%0.789SS**  trans178.656.2171.600000114
196T33.5Very low33.1Very low128 Ų128123.2 Ų123.279%0.78579%0.789SS**  trans-111.3168.517110.80000109.4
197P44.6Very low32.8Very low128 Ų128124.9 Ų124.983%0.83180%0.797SS**  cis-134.6-179.317.840.5-21.9000115.9
198G29.6Very low33.2Very low68 Ų68121.2 Ų121.270%0.70179%0.792SS**  trans-171.81.6178.500000124
199T29.2Very low33.2Very low129 Ų129120.9 Ų120.979%0.79180%0.796SS**  trans57.7133.4155.6-164.30000124.2
200C30.4Very low33.9Very low122 Ų122121.7 Ų121.782%0.82479%0.791SS**  trans60.8137.7144.169.30000125.1
201G29.3Very low34.4Very low80 Ų80123.3 Ų123.383%0.82580%0.797SS**  trans147.783.9150.800000118.9
202L30.7Very low34.9Very low170 Ų170121.5 Ų121.589%0.8979%0.79SS**  trans-92.1177.2158.9-80.5164.1000109.5
203P48.8Very low35Very low105 Ų105123 Ų12368%0.68279%0.793SS**  cis-138-165.9-39.135.8-15.8000113.4
204S29.8Very low34.9Very low94 Ų94122 Ų12266%0.65779%0.794SS**  trans97.4125.6141.3-710000123.7
205H33.2Very low35.3Very low176 Ų176117.9 Ų117.982%0.81579%0.792SS**  trans50.2127136.8-68.6-115.6000121.4
206S30.6Very low35.9Very low118 Ų118121.2 Ų121.283%0.82579%0.791SS**  -168.6149124.9-83.30000114.5
207T34.2Very low36.1Very low139 Ų139118.6 Ų118.685%0.85379%0.789SS**  trans-38.5155.7168-2.10000116.6
208G36.2Very low36.2Very low62 Ų62120 Ų12064%0.63979%0.788SS**  trans-99.8176.1169.100000113.1
209D33.6Very low36.8Very low176 Ų176124.9 Ų124.994%0.94180%0.798SS**  trans-156.2171.7169.3-101.4-47.8000111.3
210N43.8Very low37.3Very low152 Ų152121.6 Ų121.681%0.81379%0.79SS**  trans-139.2131.1-162.1-17811.6000110.7
211C40.3Very low37.9Very low118 Ų118119.6 Ų119.680%0.79779%0.79SS**  trans168.2160.7144.660.90000115
212S40.6Very low38.7Very low106 Ų106122.9 Ų122.974%0.74179%0.794SS**  trans-32164.6169-370000117.3
213D34.4Very low39.1Very low157 Ų157119.2 Ų119.284%0.8479%0.788SS**  cis-165.9177.333.4-143.120.4000108.3
214A40.3Very low39Very low85 Ų85119.7 Ų119.770%0.70279%0.794SS**  cis-157.5-179.6-100000108.6
215G40.7Very low40Very low81 Ų81121.1 Ų121.184%0.83580%0.801SS**  trans166.679.9170.900000117.2
216D39.1Very low39.9Very low152 Ų152118.3 Ų118.381%0.81380%0.801SS**  trans-79.9151.9168.9-179.649000111.8
217G38.1Very low40.8Very low72 Ų72119 Ų11974%0.74280%0.8SS**  trans178.475.1-173.200000114.3
218L46.8Very low41Very low158 Ų158114.8 Ų114.883%0.82779%0.785SS**  trans-82134.6173.2-56.1169.2000111.3
219D43.2Very low41.5Very low171 Ų171121.1 Ų121.191%0.91480%0.798SS**  trans-158.3154.9132.7-164.9-138.6000111.4
220G39.3Very low42Very low60 Ų60121.1 Ų121.162%0.61979%0.792SS**  trans-121.5135.2-165.300000116.3
221G42.4Very low42.2Very low79 Ų79118.4 Ų118.481%0.81478%0.778SS**  trans58.5116131.100000121
222V47Very low42.6Very low150 Ų150120.2 Ų120.291%0.90977%0.774SS**  trans-132.3142.5143.6-73.40000110.5
223A39.6Very low43.2Very low92 Ų92118.5 Ų118.576%0.7676%0.762SS**  trans-72.7171.8177.900000111.1
224S46.3Very low43.9Very low116 Ų116113.2 Ų113.281%0.81173%0.734SS**  cis-167.3-168.241.7-131.70000111.1
225P50.2Low44.4Very low123 Ų123118.2 Ų118.280%0.79974%0.735SS**  trans-97.8161.8-133.141.2-37.4000115.4
226S31.9Very low45Very low117 Ų117120 Ų12082%0.81873%0.725SS**  trans-136.6131151.5-168.90000109.6G228S226-G228 PolarHBondContact O-N 2.87Å
227T49.4Very low45.8Very low132 Ų132120.6 Ų120.681%0.8172%0.716SS**  trans-68.7118.8174.244.80000109.8
228G37.7Very low46.2Very low52 Ų52125.6 Ų125.654%0.53671%0.712SS.*  trans-145.776.2176.800000108.9S226 E230S226-G228 PolarHBondContact O-N 2.87Å; G228-E230 PolarHBondContact O-N 3.07Å
229E46.5Very low46.3Very low194 Ų194122.3 Ų122.391%0.90770%0.696SS**  trans-74.972.4175.749.2-166.4103.500110.2
230E43.8Very low46.7Very low176 Ų176120.9 Ų120.982%0.82269%0.688SS**  trans-118.698.5-170.2-67.1-177.6-143.400112.4G228G228-E230 PolarHBondContact O-N 3.07Å
231D48.1Very low47Very low96 Ų96125.7 Ų125.751%0.51369%0.692SS.*  trans55.981.1148.6-157.445.2000119.8S233D231-S233 PolarHBondContact O-N 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.12Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.95Å
232E48.9Very low47.3Very low156 Ų156129.5 Ų129.573%0.72969%0.686SS**THydrogen-bonded Turntrans-68.1-9.2159.8-77.5-141.2101.900113.6D234E232-D234 VanDerWaalsContact C-N 3.33Å; E232-D234 PolarHBondContact O-N 3Å
233S53.2Low47.6Very low70 Ų70133.5 Ų133.549%0.4969%0.685SS.*Hα-helixtrans-67.3-25.8-175.2-33.70000114.6D231D231-S233 PolarHBondContact O-N 3.26Å; D231-S233 WeakPolarHBondContact OD1-CB 3.12Å; D231-S233 PolarHBondContact OD1-N 3.18Å; D231-S233 PolarHBondContact OD1-OG 2.95Å
234D49.6Very low48.5Very low46 Ų46132.9 Ų132.925%0.24669%0.687CS.*Hα-helixtrans-81.8-20.5-172-161.2-107.5000114E232 D236 R237 R238E232-D234 VanDerWaalsContact C-N 3.33Å; E232-D234 PolarHBondContact O-N 3Å; D234-D236 PolarHBondContact O-N 3.07Å; D234-R237 WeakPolarHBondContact O-CB 3.27Å; D234-R237 PolarHBondContact O-N 3.19Å; D234-R238 PolarHBondContact O-N 2.61Å; D234-R238 IonicContact OD1-CZ 3.15Å; D234-R238 IonicContact OD1-NE 2.77Å; D234-R238 PolarHBondContact OD1-NE 3.17Å; D234-R238 IonicContact OD1-NH2 2.69Å; D234-R238 PolarHBondContact OD1-NH2 2.81Å
235R50.7Low49.7Very low189 Ų189134.7 Ų134.771%0.71369%0.687SS**Hα-helixtrans-65.9-40.3179.4-71.4-178.1174.9177.1-0.8112.1R237 R238 N239R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.2Å; R235-R238 PolarHBondContact O-N 2.91Å; R235-N239 PolarHBondContact O-N 3.48Å
236D54.3Low51.2Low118 Ų118131.4 Ų131.463%0.63166%0.66SS**Hα-helixtrans-64.6-35.4174.6-88-57.8000112.8D234 R238 N239 N240D234-D236 PolarHBondContact O-N 3.07Å; D236-R238 PolarHBondContact O-N 2.88Å; D236-N239 PolarHBondContact O-N 3.26Å; D236-N240 PolarHBondContact O-N 3.41Å
237R54.4Low53.8Low166 Ų166129.7 Ų129.763%0.62665%0.646SS**Hα-helixtrans-64-20.6176-64.8179.8174.4-177-0.2113.1D234 R235 K241D234-R237 WeakPolarHBondContact O-CB 3.27Å; D234-R237 PolarHBondContact O-N 3.19Å; R235-R237 VanDerWaalsContact C-N 3.33Å; R235-R237 PolarHBondContact O-N 3.2Å; R237-K241 PolarHBondContact O-NZ 2.8Å
238R48.1Very low55.3Low176 Ų176131.9 Ų131.966%0.66464%0.644SS**Hα-helixtrans-89.8-33.5177-60.9-179.6-159.3-170.28.2112.6D234 R235 D236 N240D234-R238 PolarHBondContact O-N 2.61Å; D234-R238 IonicContact OD1-CZ 3.15Å; D234-R238 IonicContact OD1-NE 2.77Å; D234-R238 PolarHBondContact OD1-NE 3.17Å; D234-R238 IonicContact OD1-NH2 2.69Å; D234-R238 PolarHBondContact OD1-NH2 2.81Å; R235-R238 PolarHBondContact O-N 2.91Å; D236-R238 PolarHBondContact O-N 2.88Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 3.42Å
239N48.3Very low57.6Low89 Ų89134.6 Ų134.648%0.47665%0.65SS.*Hα-helixtrans-70.8-26.9-179.8-160.525.6000113.2R235 D236 K241 K242R235-N239 PolarHBondContact O-N 3.48Å; D236-N239 PolarHBondContact O-N 3.26Å; N239-K241 PolarHBondContact O-N 3.17Å; N239-K242 PolarHBondContact O-N 2.77Å; N239-K242 PolarHBondContact OD1-NZ 3.3Å
240N51Low59.5Low142 Ų142125.5 Ų125.576%0.75961%0.608SS**THydrogen-bonded Turntrans-66.91.5178.5-93.14.5000116.3D236 R238D236-N240 PolarHBondContact O-N 3.41Å; R238-N240 VanDerWaalsContact C-N 3.33Å; R238-N240 PolarHBondContact O-N 3.42Å
241K45.6Very low61.6Low161 Ų161118 Ų11870%0.757%0.574SS**THydrogen-bonded Turntrans-83.4-5.2175.4-79.489.4178-174.40114.5R237 N239 R243R237-K241 PolarHBondContact O-NZ 2.8Å; N239-K241 PolarHBondContact O-N 3.17Å; K241-R243 PolarHBondContact O-N 3.31Å
242K49.7Very low63.6Low159 Ų159118 Ų11869%0.69157%0.574SS**SBendtrans-75.4119.1172.3-67.7168.3-175.5156.80109.1N239 G244N239-K242 PolarHBondContact O-N 2.77Å; N239-K242 PolarHBondContact OD1-NZ 3.3Å; K242-G244 PolarHBondContact O-N 3.27Å
243R53.2Low65.5Low233 Ų233113 Ų11388%0.87955%0.552SS**  trans-18112-176.3-78.7-179175.1168.1-1113.6K241 I245K241-R243 PolarHBondContact O-N 3.31Å; R243-I245 PolarHBondContact O-N 3Å
244G58.3Low67.2Low79 Ų79109.6 Ų109.681%0.81453%0.529SS*.  trans-53.592.5-170.200000115.1K242K242-G244 PolarHBondContact O-N 3.27Å
245I71.9Confident69Low155 Ų155113 Ų11380%0.79554%0.538SS*.  trans-104.9118.1167-66.6166.2000105.9R243R243-I245 PolarHBondContact O-N 3Å
246F81.3Confident70.8Confident54 Ų54106.4 Ų106.424%0.23752%0.523CS..  trans-63.7152.1177.7-62.4-67.2000111.3T251 M254 L281 Q285 W289F246-T251 PolarHBondContact O-OG1 3.16Å; F246-M254 HydrophobicContact CD2-CE 4.46Å; F246-L281 HydrophobicContact CB-CD1 4.33Å; F246-L281 HydrophobicContact CD1-CD1 3.61Å; F246-L281 HydrophobicContact CD1-CD2 3.56Å; F246-L281 HydrophobicContact CD1-CG 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.99Å; F246-L281 HydrophobicContact CE1-CD2 4.01Å; F246-L281 HydrophobicContact CG-CD1 3.94Å; F246-Q285 HydrophobicContact CE1-CB 3.84Å; F246-Q285 HydrophobicContact CE1-CG 3.94Å; F246-Q285 HydrophobicContact CZ-CB 3.92Å; F246-Q285 HydrophobicContact CZ-CG 4.2Å; F246-W289 AromaticContact CD2-CD1 3.66Å; F246-W289 HydrophobicContact CE2-CB 4.29Å; F246-W289 AromaticContact CE2-CD1 3.8Å; F246-W289 HydrophobicContact CE2-CG 4.46Å
247P85.6Confident72.5Confident81 Ų81102.1 Ų102.153%0.52650%0.498SS..  trans-49.6144.8174.2-28.235.5000112.3V249 A250 T251P247-V249 VanDerWaalsContact C-N 3.26Å; P247-V249 PolarHBondContact O-N 3.36Å; P247-A250 HydrophobicContact CB-CB 4.27Å; P247-A250 PolarHBondContact O-N 2.97Å; P247-T251 PolarHBondContact O-N 3.07Å; P247-T251 PolarHBondContact O-OG1 3.22Å
248K80.3Confident74Confident177 Ų17794.2 Ų94.277%0.7747%0.469SS*.Hα-helixtrans-58.1-39.8-178.5-69.4-178.5-179.7176.60111.9T251 N252K248-T251 PolarHBondContact O-N 3.08Å; K248-N252 WeakPolarHBondContact O-CB 3.38Å; K248-N252 PolarHBondContact O-N 2.94Å; K248-N252 PolarHBondContact O-ND2 3.42Å; K248-N252 PolarHBondContact O-OD1 2.86Å
249V86.2Confident75.6Confident109 Ų10991.1 Ų91.166%0.66146%0.46SS*.Hα-helixtrans-60.5-54.2177-179.50000110.9P247 T251 N252 I253P247-V249 VanDerWaalsContact C-N 3.26Å; P247-V249 PolarHBondContact O-N 3.36Å; V249-T251 VanDerWaalsContact C-N 3.31Å; V249-T251 PolarHBondContact O-N 3.35Å; V249-N252 PolarHBondContact O-N 3.5Å; V249-N252 VanDerWaalsContact O-N 3.1Å; V249-I253 HydrophobicContact CG1-CD1 4.17Å; V249-I253 WeakPolarHBondContact O-CG1 3.23Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.08Å
250A87.6Confident77.3Confident3 Ų393.9 Ų93.93%0.02547%0.47CS..Hα-helixtrans-55.5-44.9175.900000112.4P247 N252 I253 M254 T279 L281P247-A250 HydrophobicContact CB-CB 4.27Å; P247-A250 PolarHBondContact O-N 2.97Å; A250-N252 VanDerWaalsContact C-N 3.34Å; A250-N252 PolarHBondContact O-N 2.75Å; A250-I253 PolarHBondContact O-N 3.27Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.13Å; A250-M254 VanDerWaalsContact O-N 3.16Å; A250-T279 HydrophobicContact CB-CG2 4.17Å; A250-L281 HydrophobicContact CB-CD1 4.04Å; A250-L281 HydrophobicContact CB-CG 4.25Å
251T88.2Confident78.8Confident19 Ų1989.8 Ų89.812%0.11745%0.447CS..Hα-helixtrans-65.2-36.1178.3-54.60000112.3F246 P247 K248 V249 R255 W289F246-T251 PolarHBondContact O-OG1 3.16Å; P247-T251 PolarHBondContact O-N 3.07Å; P247-T251 PolarHBondContact O-OG1 3.22Å; K248-T251 PolarHBondContact O-N 3.08Å; V249-T251 VanDerWaalsContact C-N 3.31Å; V249-T251 PolarHBondContact O-N 3.35Å; T251-R255 HydrophobicContact CG2-CG 4.44Å; T251-R255 WeakPolarHBondContact O-CB 3.44Å; T251-R255 WeakPolarHBondContact O-CG 3.38Å; T251-R255 PolarHBondContact O-N 3.43Å; T251-W289 HydrophobicContact CG2-CZ2 4.3Å
252N89.6Confident80.4Confident95 Ų9585 Ų8551%0.50843%0.428SS..Hα-helixtrans-68.8-40.3178.4-73.2-7.9000111.9K248 V249 A250 R255 A256K248-N252 WeakPolarHBondContact O-CB 3.38Å; K248-N252 PolarHBondContact O-N 2.94Å; K248-N252 PolarHBondContact O-ND2 3.42Å; K248-N252 PolarHBondContact O-OD1 2.86Å; V249-N252 PolarHBondContact O-N 3.5Å; V249-N252 VanDerWaalsContact O-N 3.1Å; A250-N252 VanDerWaalsContact C-N 3.34Å; A250-N252 PolarHBondContact O-N 2.75Å; N252-R255 PolarHBondContact O-N 3.04Å; N252-A256 WeakPolarHBondContact O-CB 3.34Å; N252-A256 PolarHBondContact O-N 3.09Å
253I88.2Confident81.5Confident51 Ų5182 Ų8226%0.26243%0.427SS..Hα-helixtrans-61.5-50.5175.4-65.2164.6000110.2V249 A250 R255 A256 W257 L275 D278 T279V249-I253 HydrophobicContact CG1-CD1 4.17Å; V249-I253 WeakPolarHBondContact O-CG1 3.23Å; V249-I253 PolarHBondContact O-N 2.85Å; V249-I253 VanDerWaalsContact O-N 3.08Å; A250-I253 PolarHBondContact O-N 3.27Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 3.33Å; I253-A256 PolarHBondContact O-N 3.44Å; I253-W257 PolarHBondContact O-N 3.42Å; I253-W257 VanDerWaalsContact O-N 3.12Å; I253-L275 HydrophobicContact CG2-CD2 3.99Å; I253-D278 HydrophobicContact CD1-CB 4.42Å; I253-D278 WeakPolarHBondContact CD1-O 3.42Å; I253-D278 HydrophobicContact CG2-CB 4.13Å; I253-T279 HydrophobicContact CB-CG2 3.99Å; I253-T279 HydrophobicContact CD1-CG2 4.36Å; I253-T279 HydrophobicContact CG2-CG2 3.93Å
254M90Very high82.5Confident0 Ų077.7 Ų77.70%042%0.417CS..Hα-helixtrans-63.3-35178.3-63.2-174.3-7300112.7F246 A250 L258 T279 L281 V286 W289 F290F246-M254 HydrophobicContact CD2-CE 4.46Å; A250-M254 WeakPolarHBondContact O-CG 3.33Å; A250-M254 PolarHBondContact O-N 3.13Å; A250-M254 VanDerWaalsContact O-N 3.16Å; M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.23Å; M254-L258 VanDerWaalsContact O-N 3.07Å; M254-T279 HydrophobicContact CG-CG2 3.91Å; M254-L281 HydrophobicContact CE-CD1 3.59Å; M254-L281 HydrophobicContact SD-CD1 4.1Å; M254-V286 HydrophobicContact SD-CG2 4.39Å; M254-W289 HydrophobicContact CB-CD2 3.94Å; M254-W289 HydrophobicContact CB-CE3 3.63Å; M254-W289 HydrophobicContact CB-CH2 3.71Å; M254-W289 HydrophobicContact CB-CZ2 3.99Å; M254-W289 HydrophobicContact CB-CZ3 3.52Å; M254-W289 HydrophobicContact CE-CB 4.25Å; M254-W289 HydrophobicContact CE-CD2 3.83Å; M254-W289 HydrophobicContact CE-CG 3.63Å; M254-W289 HydrophobicContact CG-CD2 4.48Å; M254-W289 HydrophobicContact CG-CE3 4.34Å; M254-W289 HydrophobicContact SD-CB 3.93Å; M254-W289 HydrophobicContact SD-CD2 3.75Å; M254-W289 HydrophobicContact SD-CE3 4Å; M254-W289 HydrophobicContact SD-CG 3.72Å; M254-F290 HydrophobicContact CB-CE2 4.21Å; M254-F290 HydrophobicContact CB-CZ 4.14Å; M254-F290 HydrophobicContact CG-CE2 4.2Å; M254-F290 HydrophobicContact SD-CE2 4.49Å
255R86.1Confident83.6Confident118 Ų11874.2 Ų74.245%0.44538%0.38SS..Hα-helixtrans-66.9-44.6172.9-78.5174.8176.9-174.8-2112.7T251 N252 I253 W257 L258 F259 W289T251-R255 HydrophobicContact CG2-CG 4.44Å; T251-R255 WeakPolarHBondContact O-CB 3.44Å; T251-R255 WeakPolarHBondContact O-CG 3.38Å; T251-R255 PolarHBondContact O-N 3.43Å; N252-R255 PolarHBondContact O-N 3.04Å; I253-R255 VanDerWaalsContact C-N 3.31Å; I253-R255 PolarHBondContact O-N 3.33Å; R255-W257 VanDerWaalsContact C-N 3.32Å; R255-W257 PolarHBondContact O-N 3.09Å; R255-L258 PolarHBondContact O-N 3.28Å; R255-F259 HydrophobicContact CB-CD2 4.29Å; R255-F259 HydrophobicContact CB-CE2 4.09Å; R255-F259 WeakPolarHBondContact O-CD2 3.07Å; R255-F259 PolarHBondContact O-N 2.98Å; R255-W289 HydrophobicContact CB-CH2 4.5Å; R255-W289 HydrophobicContact CG-CH2 3.82Å; R255-W289 HydrophobicContact CG-CZ2 3.79Å
256A89.1Confident84.2Confident49 Ų4974 Ų7441%0.40537%0.37SS..Hα-helixtrans-58.8-46.1179.200000110.9N252 I253 L258 F259 Q260N252-A256 WeakPolarHBondContact O-CB 3.34Å; N252-A256 PolarHBondContact O-N 3.09Å; I253-A256 PolarHBondContact O-N 3.44Å; A256-L258 PolarHBondContact O-N 3.25Å; A256-F259 PolarHBondContact O-N 2.88Å; A256-Q260 VanDerWaalsContact O-CG 3.32Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.6Å; A256-Q260 VanDerWaalsContact O-N 3.15Å
257W89.4Confident84.4Confident28 Ų2872 Ų7211%0.10636%0.363CS..Hα-helixtrans-60.8-45.4174.3-170.396.7000112I253 R255 F259 Q260 H261 P267 L275 F290I253-W257 PolarHBondContact O-N 3.42Å; I253-W257 VanDerWaalsContact O-N 3.12Å; R255-W257 VanDerWaalsContact C-N 3.32Å; R255-W257 PolarHBondContact O-N 3.09Å; W257-F259 PolarHBondContact O-N 3.06Å; W257-Q260 PolarHBondContact O-N 3.4Å; W257-H261 AromaticContact CD1-CE1 3.92Å; W257-H261 AromaticContact CD2-ND1 3.6Å; W257-H261 AromaticContact CE2-CE1 3.62Å; W257-H261 AromaticContact CE2-CG 3.83Å; W257-H261 AromaticContact CE2-ND1 3.41Å; W257-H261 HydrophobicContact CE3-CB 4.18Å; W257-H261 AromaticContact CG-ND1 3.96Å; W257-H261 HydrophobicContact CH2-CB 3.66Å; W257-H261 AromaticContact CH2-CG 3.72Å; W257-H261 HydrophobicContact CZ2-CB 4.09Å; W257-H261 AromaticContact CZ2-CD2 3.79Å; W257-H261 AromaticContact CZ2-CE1 3.95Å; W257-H261 AromaticContact CZ2-CG 3.59Å; W257-H261 AromaticContact CZ2-ND1 3.69Å; W257-H261 HydrophobicContact CZ3-CB 3.73Å; W257-H261 AromaticContact NE1-CE1 3.48Å; W257-H261 PolarHBondContact NE1-CE1 3.43Å; W257-H261 AromaticContact NE1-ND1 3.7Å; W257-H261 PolarHBondContact O-N 3.02Å; W257-H261 VanDerWaalsContact O-N 3.08Å; W257-H261 PolarHBondContact O-ND1 3Å; W257-P267 VanDerWaalsContact CH2-CA 3.43Å; W257-P267 HydrophobicContact CH2-CB 3.55Å; W257-P267 HydrophobicContact CH2-CG 4.11Å; W257-P267 HydrophobicContact CZ2-CB 3.65Å; W257-P267 HydrophobicContact CZ3-CB 4.03Å; W257-P267 HydrophobicContact CZ3-CG 4.18Å; W257-L275 HydrophobicContact CB-CD1 4.48Å; W257-L275 HydrophobicContact CB-CD2 4.06Å; W257-L275 HydrophobicContact CD2-CD1 4.13Å; W257-L275 HydrophobicContact CG-CD1 3.97Å; W257-L275 HydrophobicContact CG-CD2 4.23Å; W257-F290 HydrophobicContact CD2-CE1 4.43Å; W257-F290 HydrophobicContact CD2-CZ 4.31Å; W257-F290 HydrophobicContact CE3-CD1 4.39Å; W257-F290 AromaticContact CE3-CE1 3.42Å; W257-F290 HydrophobicContact CE3-CE1 3.42Å; W257-F290 VanDerWaalsContact CE3-CE1 3.42Å; W257-F290 AromaticContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CZ3-CD1 4.38Å; W257-F290 AromaticContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CZ 4.41Å
258L87.1Confident84.6Confident0 Ų070.9 Ų70.90%036%0.357CS..Hα-helixtrans-61.4-40.9179.9-177.365.9000112.7M254 R255 A256 H261 L262 P265 W289 F290 A293 I297 V298M254-L258 WeakPolarHBondContact O-CB 3.37Å; M254-L258 PolarHBondContact O-N 3.23Å; M254-L258 VanDerWaalsContact O-N 3.07Å; R255-L258 PolarHBondContact O-N 3.28Å; A256-L258 PolarHBondContact O-N 3.25Å; L258-H261 CarbonylContact O-C 3.6Å; L258-H261 PolarHBondContact O-N 2.87Å; L258-L262 PolarHBondContact O-N 3.5Å; L258-P265 HydrophobicContact CD1-CB 3.73Å; L258-W289 HydrophobicContact CB-CZ3 4.43Å; L258-W289 HydrophobicContact CD2-CH2 4.06Å; L258-W289 HydrophobicContact CD2-CZ3 4.16Å; L258-F290 HydrophobicContact CB-CE1 4.1Å; L258-F290 HydrophobicContact CD1-CD1 4.28Å; L258-F290 HydrophobicContact CD1-CE1 4.2Å; L258-A293 HydrophobicContact CD2-CB 3.78Å; L258-I297 HydrophobicContact CD2-CD1 4.07Å; L258-V298 HydrophobicContact CD1-CG2 4.22Å
259F81.6Confident85Confident112 Ų11268.9 Ų68.949%0.49135%0.35SS..Hα-helixtrans-70.6-32.4178.6-72.2-57000112.8R255 A256 W257 H261 L262R255-F259 HydrophobicContact CB-CD2 4.29Å; R255-F259 HydrophobicContact CB-CE2 4.09Å; R255-F259 WeakPolarHBondContact O-CD2 3.07Å; R255-F259 PolarHBondContact O-N 2.98Å; A256-F259 PolarHBondContact O-N 2.88Å; W257-F259 PolarHBondContact O-N 3.06Å; F259-H261 VanDerWaalsContact C-N 3.32Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å
260Q83.9Confident85Confident146 Ų14669.1 Ų69.168%0.68234%0.344SS*.Hα-helixtrans-68.8-31.1172.4-69.9167.51.100112.4A256 W257A256-Q260 VanDerWaalsContact O-CG 3.32Å; A256-Q260 WeakPolarHBondContact O-CG 3.5Å; A256-Q260 PolarHBondContact O-N 2.6Å; A256-Q260 VanDerWaalsContact O-N 3.15Å; W257-Q260 PolarHBondContact O-N 3.4Å
261H83Confident85.1Confident57 Ų5772.2 Ų72.226%0.26436%0.358SS..THydrogen-bonded Turntrans-112.135.6-175.6-58.781.5000112.7W257 L258 F259 S263 H264 P265W257-H261 AromaticContact CD1-CE1 3.92Å; W257-H261 AromaticContact CD2-ND1 3.6Å; W257-H261 AromaticContact CE2-CE1 3.62Å; W257-H261 AromaticContact CE2-CG 3.83Å; W257-H261 AromaticContact CE2-ND1 3.41Å; W257-H261 HydrophobicContact CE3-CB 4.18Å; W257-H261 AromaticContact CG-ND1 3.96Å; W257-H261 HydrophobicContact CH2-CB 3.66Å; W257-H261 AromaticContact CH2-CG 3.72Å; W257-H261 HydrophobicContact CZ2-CB 4.09Å; W257-H261 AromaticContact CZ2-CD2 3.79Å; W257-H261 AromaticContact CZ2-CE1 3.95Å; W257-H261 AromaticContact CZ2-CG 3.59Å; W257-H261 AromaticContact CZ2-ND1 3.69Å; W257-H261 HydrophobicContact CZ3-CB 3.73Å; W257-H261 AromaticContact NE1-CE1 3.48Å; W257-H261 PolarHBondContact NE1-CE1 3.43Å; W257-H261 AromaticContact NE1-ND1 3.7Å; W257-H261 PolarHBondContact O-N 3.02Å; W257-H261 VanDerWaalsContact O-N 3.08Å; W257-H261 PolarHBondContact O-ND1 3Å; L258-H261 CarbonylContact O-C 3.6Å; L258-H261 PolarHBondContact O-N 2.87Å; F259-H261 VanDerWaalsContact C-N 3.32Å; H261-S263 PolarHBondContact O-N 3.37Å; H261-H264 CarbonylContact O-C 3.59Å; H261-H264 PolarHBondContact O-N 2.92Å; H261-P265 WeakPolarHBondContact O-CA 3.32Å
262L78.6Confident85.2Confident59 Ų5973.9 Ų73.931%0.30936%0.364SS..SBendtrans-57.8-33.1-179.6-85.3166.9000113.9L258 F259 V298 M301L258-L262 PolarHBondContact O-N 3.5Å; F259-L262 HydrophobicContact CD1-CD1 4.26Å; F259-L262 HydrophobicContact CD1-CD2 4.47Å; L262-V298 HydrophobicContact CD2-CG2 4.23Å; L262-M301 HydrophobicContact CD2-CE 4.48Å; L262-M301 HydrophobicContact CD2-SD 4.37Å
263S71.3Confident85.3Confident97 Ų9772.5 Ų72.568%0.67835%0.353SS*.SBendtrans-70.3-38.5177.449.60000112.8H261H261-S263 PolarHBondContact O-N 3.37Å
264H74.3Confident85.4Confident142 Ų14274.2 Ų74.266%0.65736%0.36SS*.  trans-134.175.4179.3-64.5-69.3000111H261 Y266H261-H264 CarbonylContact O-C 3.59Å; H261-H264 PolarHBondContact O-N 2.92Å; H264-Y266 PolarHBondContact O-N 2.79Å
265P82Confident85.5Confident7 Ų774.5 Ų74.55%0.04536%0.362CS..  trans-78.256-17835.2-41.2000111.9L258 H261 R294 V298L258-P265 HydrophobicContact CD1-CB 3.73Å; H261-P265 WeakPolarHBondContact O-CA 3.32Å; P265-R294 HydrophobicContact CB-CG 4.37Å; P265-R294 HydrophobicContact CG-CG 3.86Å; P265-R294 PolarHBondContact O-NH1 2.92Å; P265-V298 HydrophobicContact CB-CG2 4.25Å; P265-V298 HydrophobicContact CG-CG1 4.19Å; P265-V298 HydrophobicContact CG-CG2 4.25Å
266Y84.7Confident85.8Confident150 Ų15069.9 Ų69.959%0.58835%0.348SS*.  trans-133.182.4-178.9-69-100.2000107.7H264 S268 R294H264-Y266 PolarHBondContact O-N 2.79Å; Y266-S268 PolarHBondContact O-N 2.92Å; Y266-R294 VanDerWaalsContact CD1-NH1 3.34Å; Y266-R294 PolarHBondContact OH-NH2 3.07Å
267P86.4Confident85.9Confident12 Ų1274 Ų748%0.07836%0.358CS..  trans-60.3135.9177.223.4-31.5000109.7W257 Q271 K272 L275 F290W257-P267 VanDerWaalsContact CH2-CA 3.43Å; W257-P267 HydrophobicContact CH2-CB 3.55Å; W257-P267 HydrophobicContact CH2-CG 4.11Å; W257-P267 HydrophobicContact CZ2-CB 3.65Å; W257-P267 HydrophobicContact CZ3-CB 4.03Å; W257-P267 HydrophobicContact CZ3-CG 4.18Å; P267-Q271 HydrophobicContact CB-CB 3.98Å; P267-K272 HydrophobicContact CB-CG 4.08Å; P267-K272 HydrophobicContact CG-CG 4.02Å; P267-K272 WeakPolarHBondContact O-CE 3.44Å; P267-L275 HydrophobicContact CB-CD1 4.49Å; P267-F290 HydrophobicContact CG-CD1 4.27Å; P267-F290 HydrophobicContact CG-CD2 4.19Å; P267-F290 HydrophobicContact CG-CG 4.07Å
268S88.5Confident85.9Confident58 Ų5876.5 Ų76.541%0.40637%0.374SS..  trans-62.9165.2171.770.80000110.9Y266 E270 Q271 K272Y266-S268 PolarHBondContact O-N 2.92Å; S268-E270 PolarHBondContact O-N 2.96Å; S268-Q271 PolarHBondContact O-N 2.87Å; S268-Q271 WeakPolarHBondContact OG-CG 3.37Å; S268-Q271 PolarHBondContact OG-N 3.45Å; S268-Q271 PolarHBondContact OG-OE1 3.34Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.31Å
269E88.1Confident86Confident135 Ų13577.4 Ų77.463%0.63138%0.379SS*.Hα-helixtrans-58-37.4178.8-161.1-171.7127.400112.4K272 K273E269-K272 WeakPolarHBondContact O-CB 3.17Å; E269-K272 PolarHBondContact O-N 3.24Å; E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 VanDerWaalsContact O-N 3.07Å; E269-K273 WeakPolarHBondContact OE1-CE 3.48Å; E269-K273 IonicContact OE1-NZ 3.17Å; E269-K273 PolarHBondContact OE1-NZ 3.47Å; E269-K273 VanDerWaalsContact OE1-NZ 3.14Å
270E88.2Confident86.4Confident114 Ų11475.4 Ų75.453%0.53339%0.391SS..Hα-helixtrans-69.9-41.4177.5-158.653.5-13900112.2S268 K272 K273 Q274S268-E270 PolarHBondContact O-N 2.96Å; E270-K272 VanDerWaalsContact C-N 3.26Å; E270-K272 PolarHBondContact O-N 2.78Å; E270-K273 WeakPolarHBondContact O-CB 3.42Å; E270-K273 PolarHBondContact O-N 3.1Å; E270-K273 VanDerWaalsContact O-N 3.09Å; E270-K273 IonicContact OE2-NZ 2.97Å; E270-K273 PolarHBondContact OE2-NZ 3.38Å; E270-Q274 PolarHBondContact O-N 2.92Å
271Q88.6Confident86.6Confident68 Ų6869.2 Ų69.232%0.31836%0.362SS..Hα-helixtrans-62.3-34.4173.4-71.3169.1-34.500111.8P267 S268 Q274 L275P267-Q271 HydrophobicContact CB-CB 3.98Å; S268-Q271 PolarHBondContact O-N 2.87Å; S268-Q271 WeakPolarHBondContact OG-CG 3.37Å; S268-Q271 PolarHBondContact OG-N 3.45Å; S268-Q271 PolarHBondContact OG-OE1 3.34Å; Q271-Q274 PolarHBondContact O-N 3.47Å; Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 WeakPolarHBondContact O-CD1 3.4Å; Q271-L275 WeakPolarHBondContact O-CG 3.27Å; Q271-L275 PolarHBondContact O-N 3.26Å
272K91.2Very high87Confident53 Ų5370.2 Ų70.223%0.2337%0.372CS..Hα-helixtrans-67-36.7173.2-66.6168.7-175.3-172.70112.4P267 S268 E269 E270 S276 N287P267-K272 HydrophobicContact CB-CG 4.08Å; P267-K272 HydrophobicContact CG-CG 4.02Å; P267-K272 WeakPolarHBondContact O-CE 3.44Å; S268-K272 WeakPolarHBondContact O-CG 3.34Å; S268-K272 PolarHBondContact O-N 3.31Å; E269-K272 WeakPolarHBondContact O-CB 3.17Å; E269-K272 PolarHBondContact O-N 3.24Å; E270-K272 VanDerWaalsContact C-N 3.26Å; E270-K272 PolarHBondContact O-N 2.78Å; K272-S276 VanDerWaalsContact O-CB 3.27Å; K272-S276 WeakPolarHBondContact O-CB 3.44Å; K272-S276 PolarHBondContact O-N 3.23Å; K272-N287 VanDerWaalsContact CD-OD1 3.27Å; K272-N287 WeakPolarHBondContact CD-OD1 3.29Å; K272-N287 WeakPolarHBondContact CE-OD1 3.42Å; K272-N287 PolarHBondContact NZ-OD1 3.44Å
273K90.7Very high87.4Confident67 Ų6770.9 Ų70.929%0.29138%0.375SS..Hα-helixtrans-65.6-46.6173.7-70.2170.7-166.9158.40110.9E269 E270 S276 Q277 I283E269-K273 WeakPolarHBondContact O-CG 3.41Å; E269-K273 PolarHBondContact O-N 3.34Å; E269-K273 VanDerWaalsContact O-N 3.07Å; E269-K273 WeakPolarHBondContact OE1-CE 3.48Å; E269-K273 IonicContact OE1-NZ 3.17Å; E269-K273 PolarHBondContact OE1-NZ 3.47Å; E269-K273 VanDerWaalsContact OE1-NZ 3.14Å; E270-K273 WeakPolarHBondContact O-CB 3.42Å; E270-K273 PolarHBondContact O-N 3.1Å; E270-K273 VanDerWaalsContact O-N 3.09Å; E270-K273 IonicContact OE2-NZ 2.97Å; E270-K273 PolarHBondContact OE2-NZ 3.38Å; K273-S276 WeakPolarHBondContact O-CB 3.35Å; K273-S276 PolarHBondContact O-N 3.4Å; K273-Q277 WeakPolarHBondContact O-CG 3.34Å; K273-Q277 PolarHBondContact O-N 3.09Å; K273-I283 HydrophobicContact CG-CD1 4.01Å
274Q90.9Very high88.3Confident87 Ų8772 Ų7241%0.40737%0.373SS..Hα-helixtrans-59.7-49.3175.8-169.362.156.100111.5E270 Q271 S276 Q277 D278E270-Q274 PolarHBondContact O-N 2.92Å; Q271-Q274 PolarHBondContact O-N 3.47Å; Q274-S276 PolarHBondContact O-N 3.04Å; Q274-Q277 WeakPolarHBondContact O-CB 3.22Å; Q274-Q277 PolarHBondContact O-N 3.05Å; Q274-Q277 VanDerWaalsContact O-N 3.07Å; Q274-D278 PolarHBondContact NE2-OD1 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å
275L91.3Very high88.9Confident6 Ų668.8 Ų68.83%0.03136%0.358CS..Hα-helixtrans-62.6-30.4177.5-71.1163.8000112.5I253 W257 P267 Q271 T279 V286 F290I253-L275 HydrophobicContact CG2-CD2 3.99Å; W257-L275 HydrophobicContact CB-CD1 4.48Å; W257-L275 HydrophobicContact CB-CD2 4.06Å; W257-L275 HydrophobicContact CD2-CD1 4.13Å; W257-L275 HydrophobicContact CG-CD1 3.97Å; W257-L275 HydrophobicContact CG-CD2 4.23Å; P267-L275 HydrophobicContact CB-CD1 4.49Å; Q271-L275 WeakPolarHBondContact O-CB 3.46Å; Q271-L275 WeakPolarHBondContact O-CD1 3.4Å; Q271-L275 WeakPolarHBondContact O-CG 3.27Å; Q271-L275 PolarHBondContact O-N 3.26Å; L275-T279 VanDerWaalsContact O-CB 3.26Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 WeakPolarHBondContact O-CG2 3.3Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 VanDerWaalsContact O-N 3.17Å; L275-T279 PolarHBondContact O-OG1 2.81Å; L275-V286 HydrophobicContact CB-CG1 4.03Å; L275-F290 HydrophobicContact CD1-CE2 3.75Å; L275-F290 HydrophobicContact CD1-CZ 3.88Å
276S92.4Very high89.2Confident21 Ų2168.4 Ų68.415%0.14736%0.356CS..Hα-helixtrans-67.3-43.3172.5-179.70000111.7K272 K273 Q274 G280 L281 I283K272-S276 VanDerWaalsContact O-CB 3.27Å; K272-S276 WeakPolarHBondContact O-CB 3.44Å; K272-S276 PolarHBondContact O-N 3.23Å; K273-S276 WeakPolarHBondContact O-CB 3.35Å; K273-S276 PolarHBondContact O-N 3.4Å; Q274-S276 PolarHBondContact O-N 3.04Å; S276-G280 PolarHBondContact O-N 3.21Å; S276-G280 VanDerWaalsContact O-N 3.09Å; S276-L281 WeakPolarHBondContact CA-O 3.46Å; S276-L281 WeakPolarHBondContact CB-O 3.45Å; S276-L281 PolarHBondContact O-N 3.25Å; S276-L281 PolarHBondContact OG-O 2.97Å; S276-I283 PolarHBondContact OG-N 3.2Å
277Q91.7Very high89.4Confident134 Ų13463.2 Ų63.263%0.62634%0.338SS*.Hα-helixtrans-64-50.8174.9-66171.428.400111.6K273 Q274 T279 G280K273-Q277 WeakPolarHBondContact O-CG 3.34Å; K273-Q277 PolarHBondContact O-N 3.09Å; Q274-Q277 WeakPolarHBondContact O-CB 3.22Å; Q274-Q277 PolarHBondContact O-N 3.05Å; Q274-Q277 VanDerWaalsContact O-N 3.07Å; Q277-T279 VanDerWaalsContact C-N 3.27Å; Q277-T279 PolarHBondContact O-N 3.39Å; Q277-G280 PolarHBondContact O-N 3.45Å
278D89.9Confident89.5Confident82 Ų8266.3 Ų66.344%0.43935%0.354SS..Hα-helixtrans-65.3-28.5-176-61.5-15000113.2I253 Q274I253-D278 HydrophobicContact CD1-CB 4.42Å; I253-D278 WeakPolarHBondContact CD1-O 3.42Å; I253-D278 HydrophobicContact CG2-CB 4.13Å; Q274-D278 PolarHBondContact NE2-OD1 3.29Å; Q274-D278 PolarHBondContact O-N 3.42Å
279T89.2Confident89.6Confident18 Ų1865.1 Ų65.111%0.1134%0.341CS..Hα-helixtrans-100.1-12.8-176.563.90000114.3A250 I253 M254 L275 Q277 L281A250-T279 HydrophobicContact CB-CG2 4.17Å; I253-T279 HydrophobicContact CB-CG2 3.99Å; I253-T279 HydrophobicContact CD1-CG2 4.36Å; I253-T279 HydrophobicContact CG2-CG2 3.93Å; M254-T279 HydrophobicContact CG-CG2 3.91Å; L275-T279 VanDerWaalsContact O-CB 3.26Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 WeakPolarHBondContact O-CG2 3.3Å; L275-T279 PolarHBondContact O-N 2.99Å; L275-T279 VanDerWaalsContact O-N 3.17Å; L275-T279 PolarHBondContact O-OG1 2.81Å; Q277-T279 VanDerWaalsContact C-N 3.27Å; Q277-T279 PolarHBondContact O-N 3.39Å; T279-L281 PolarHBondContact O-N 3.29Å; T279-L281 WeakPolarHBondContact OG1-CB 3.47Å; T279-L281 PolarHBondContact OG1-N 3.12Å
280G88.7Confident89.7Confident71 Ų7159 Ų5973%0.73231%0.312SS*.THydrogen-bonded Turntrans64.412.6-17000000114.2S276 Q277S276-G280 PolarHBondContact O-N 3.21Å; S276-G280 VanDerWaalsContact O-N 3.09Å; Q277-G280 PolarHBondContact O-N 3.45Å
281L89.6Confident89.6Confident15 Ų1556.9 Ų56.98%0.07930%0.304CS..  trans-94.1151.9178.4-59.7-179.1000110.5F246 A250 M254 S276 T279 Q285 V286F246-L281 HydrophobicContact CB-CD1 4.33Å; F246-L281 HydrophobicContact CD1-CD1 3.61Å; F246-L281 HydrophobicContact CD1-CD2 3.56Å; F246-L281 HydrophobicContact CD1-CG 4.25Å; F246-L281 HydrophobicContact CE1-CD1 3.99Å; F246-L281 HydrophobicContact CE1-CD2 4.01Å; F246-L281 HydrophobicContact CG-CD1 3.94Å; A250-L281 HydrophobicContact CB-CD1 4.04Å; A250-L281 HydrophobicContact CB-CG 4.25Å; M254-L281 HydrophobicContact CE-CD1 3.59Å; M254-L281 HydrophobicContact SD-CD1 4.1Å; S276-L281 WeakPolarHBondContact CA-O 3.46Å; S276-L281 WeakPolarHBondContact CB-O 3.45Å; S276-L281 PolarHBondContact O-N 3.25Å; S276-L281 PolarHBondContact OG-O 2.97Å; T279-L281 PolarHBondContact O-N 3.29Å; T279-L281 WeakPolarHBondContact OG1-CB 3.47Å; T279-L281 PolarHBondContact OG1-N 3.12Å; L281-Q285 HydrophobicContact CB-CB 4.12Å; L281-V286 HydrophobicContact CB-CG2 3.99Å
282T90.8Very high89.5Confident78 Ų7857.5 Ų57.548%0.47931%0.309SS..  trans-67150.6174.270.70000111L284 Q285 V286T282-L284 PolarHBondContact O-N 3.12Å; T282-Q285 WeakPolarHBondContact O-CA 3.25Å; T282-Q285 WeakPolarHBondContact O-CB 3.41Å; T282-Q285 PolarHBondContact O-N 3.49Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.31Å; T282-Q285 PolarHBondContact OG1-N 2.76Å; T282-Q285 PolarHBondContact OG1-OE1 3.38Å; T282-V286 PolarHBondContact O-N 3.49Å
283I88Confident89.3Confident73 Ų7355.3 Ų55.337%0.37430%0.301SS..Hα-helixtrans-52.1-34.2175.5-62.1172.9000111.2K273 S276 N287K273-I283 HydrophobicContact CG-CD1 4.01Å; S276-I283 PolarHBondContact OG-N 3.2Å; I283-N287 WeakPolarHBondContact O-CB 3.45Å; I283-N287 PolarHBondContact O-N 3.29Å; I283-N287 PolarHBondContact O-ND2 3.44Å
284L88.8Confident89.1Confident120 Ų12055 Ų5563%0.62830%0.298SS*.Hα-helixtrans-68.2-40.4175-176.760.4000112.8T282 N287 N288T282-L284 PolarHBondContact O-N 3.12Å; L284-N287 PolarHBondContact O-N 2.99Å; L284-N288 WeakPolarHBondContact CD1-ND2 3.47Å; L284-N288 WeakPolarHBondContact O-CB 3.48Å; L284-N288 PolarHBondContact O-N 3.15Å; L284-N288 PolarHBondContact O-ND2 3.33Å
285Q87.7Confident88.7Confident75 Ų7559.2 Ų59.235%0.3531%0.31SS..Hα-helixtrans-65.1-44175-74.6168.2-30.700111.4F246 L281 T282 N288 W289F246-Q285 HydrophobicContact CE1-CB 3.84Å; F246-Q285 HydrophobicContact CE1-CG 3.94Å; F246-Q285 HydrophobicContact CZ-CB 3.92Å; F246-Q285 HydrophobicContact CZ-CG 4.2Å; L281-Q285 HydrophobicContact CB-CB 4.12Å; T282-Q285 WeakPolarHBondContact O-CA 3.25Å; T282-Q285 WeakPolarHBondContact O-CB 3.41Å; T282-Q285 PolarHBondContact O-N 3.49Å; T282-Q285 WeakPolarHBondContact OG1-CG 3.31Å; T282-Q285 PolarHBondContact OG1-N 2.76Å; T282-Q285 PolarHBondContact OG1-OE1 3.38Å; Q285-N288 PolarHBondContact O-N 2.81Å; Q285-W289 WeakPolarHBondContact O-CB 3.39Å; Q285-W289 PolarHBondContact O-N 2.79Å
286V88.9Confident88.2Confident0 Ų067.9 Ų67.90%034%0.343CS..Hα-helixtrans-59.3-49.5174.4177.40000110.6M254 L275 L281 T282 N288 W289 F290M254-V286 HydrophobicContact SD-CG2 4.39Å; L275-V286 HydrophobicContact CB-CG1 4.03Å; L281-V286 HydrophobicContact CB-CG2 3.99Å; T282-V286 PolarHBondContact O-N 3.49Å; V286-N288 PolarHBondContact O-N 3.46Å; V286-W289 WeakPolarHBondContact O-CB 3.37Å; V286-W289 PolarHBondContact O-N 2.91Å; V286-F290 HydrophobicContact CG1-CD2 3.78Å; V286-F290 HydrophobicContact CG1-CE2 3.82Å; V286-F290 WeakPolarHBondContact O-CD2 3.2Å; V286-F290 PolarHBondContact O-N 3.44Å
287N88Confident87.5Confident40 Ų4069.5 Ų69.521%0.21435%0.349CS..Hα-helixtrans-55.2-50.3175.6-86-57.9000112.6K272 I283 L284 W289 F290 I291K272-N287 VanDerWaalsContact CD-OD1 3.27Å; K272-N287 WeakPolarHBondContact CD-OD1 3.29Å; K272-N287 WeakPolarHBondContact CE-OD1 3.42Å; K272-N287 PolarHBondContact NZ-OD1 3.44Å; I283-N287 WeakPolarHBondContact O-CB 3.45Å; I283-N287 PolarHBondContact O-N 3.29Å; I283-N287 PolarHBondContact O-ND2 3.44Å; L284-N287 PolarHBondContact O-N 2.99Å; N287-W289 VanDerWaalsContact C-N 3.3Å; N287-W289 PolarHBondContact O-N 2.81Å; N287-F290 PolarHBondContact O-N 3.26Å; N287-I291 VanDerWaalsContact O-CG1 3.31Å; N287-I291 WeakPolarHBondContact O-CG1 3.3Å; N287-I291 PolarHBondContact O-N 3.43Å
288N88.1Confident86.7Confident77 Ų7763.3 Ų63.341%0.41232%0.32SS..Hα-helixtrans-62.3-37.6179.2-81.1-72.8000112.1L284 Q285 V286 N292L284-N288 WeakPolarHBondContact CD1-ND2 3.47Å; L284-N288 WeakPolarHBondContact O-CB 3.48Å; L284-N288 PolarHBondContact O-N 3.15Å; L284-N288 PolarHBondContact O-ND2 3.33Å; Q285-N288 PolarHBondContact O-N 2.81Å; V286-N288 PolarHBondContact O-N 3.46Å; N288-N292 WeakPolarHBondContact O-CB 3.4Å; N288-N292 PolarHBondContact O-N 3.36Å; N288-N292 VanDerWaalsContact O-N 3.09Å
289W90.9Very high85.7Confident33 Ų3364.4 Ų64.413%0.12532%0.323CS..Hα-helixtrans-62.5-48.4175.4-170.694.4000111.5F246 T251 M254 R255 L258 Q285 V286 N287 I291 N292 A293F246-W289 AromaticContact CD2-CD1 3.66Å; F246-W289 HydrophobicContact CE2-CB 4.29Å; F246-W289 AromaticContact CE2-CD1 3.8Å; F246-W289 HydrophobicContact CE2-CG 4.46Å; T251-W289 HydrophobicContact CG2-CZ2 4.3Å; M254-W289 HydrophobicContact CB-CD2 3.94Å; M254-W289 HydrophobicContact CB-CE3 3.63Å; M254-W289 HydrophobicContact CB-CH2 3.71Å; M254-W289 HydrophobicContact CB-CZ2 3.99Å; M254-W289 HydrophobicContact CB-CZ3 3.52Å; M254-W289 HydrophobicContact CE-CB 4.25Å; M254-W289 HydrophobicContact CE-CD2 3.83Å; M254-W289 HydrophobicContact CE-CG 3.63Å; M254-W289 HydrophobicContact CG-CD2 4.48Å; M254-W289 HydrophobicContact CG-CE3 4.34Å; M254-W289 HydrophobicContact SD-CB 3.93Å; M254-W289 HydrophobicContact SD-CD2 3.75Å; M254-W289 HydrophobicContact SD-CE3 4Å; M254-W289 HydrophobicContact SD-CG 3.72Å; R255-W289 HydrophobicContact CB-CH2 4.5Å; R255-W289 HydrophobicContact CG-CH2 3.82Å; R255-W289 HydrophobicContact CG-CZ2 3.79Å; L258-W289 HydrophobicContact CB-CZ3 4.43Å; L258-W289 HydrophobicContact CD2-CH2 4.06Å; L258-W289 HydrophobicContact CD2-CZ3 4.16Å; Q285-W289 WeakPolarHBondContact O-CB 3.39Å; Q285-W289 PolarHBondContact O-N 2.79Å; V286-W289 WeakPolarHBondContact O-CB 3.37Å; V286-W289 PolarHBondContact O-N 2.91Å; N287-W289 VanDerWaalsContact C-N 3.3Å; N287-W289 PolarHBondContact O-N 2.81Å; W289-I291 PolarHBondContact O-N 2.9Å; W289-N292 PolarHBondContact O-N 2.83Å; W289-A293 HydrophobicContact CD2-CB 4.3Å; W289-A293 HydrophobicContact CE3-CB 3.92Å; W289-A293 HydrophobicContact CH2-CB 3.9Å; W289-A293 HydrophobicContact CZ2-CB 4.29Å; W289-A293 HydrophobicContact CZ3-CB 3.7Å; W289-A293 VanDerWaalsContact O-CB 3.25Å; W289-A293 WeakPolarHBondContact O-CB 3.36Å; W289-A293 PolarHBondContact O-N 2.56Å
290F91Very high84.8Confident6 Ų666.2 Ų66.23%0.02634%0.335CS..Hα-helixtrans-64.6-38.9179.6-86.3-74.9000113.4M254 W257 L258 P267 L275 V286 N287 N292 R294M254-F290 HydrophobicContact CB-CE2 4.21Å; M254-F290 HydrophobicContact CB-CZ 4.14Å; M254-F290 HydrophobicContact CG-CE2 4.2Å; M254-F290 HydrophobicContact SD-CE2 4.49Å; W257-F290 HydrophobicContact CD2-CE1 4.43Å; W257-F290 HydrophobicContact CD2-CZ 4.31Å; W257-F290 HydrophobicContact CE3-CD1 4.39Å; W257-F290 AromaticContact CE3-CE1 3.42Å; W257-F290 HydrophobicContact CE3-CE1 3.42Å; W257-F290 VanDerWaalsContact CE3-CE1 3.42Å; W257-F290 AromaticContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CE3-CZ 3.72Å; W257-F290 HydrophobicContact CZ3-CD1 4.38Å; W257-F290 AromaticContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CE1 3.82Å; W257-F290 HydrophobicContact CZ3-CZ 4.41Å; L258-F290 HydrophobicContact CB-CE1 4.1Å; L258-F290 HydrophobicContact CD1-CD1 4.28Å; L258-F290 HydrophobicContact CD1-CE1 4.2Å; P267-F290 HydrophobicContact CG-CD1 4.27Å; P267-F290 HydrophobicContact CG-CD2 4.19Å; P267-F290 HydrophobicContact CG-CG 4.07Å; L275-F290 HydrophobicContact CD1-CE2 3.75Å; L275-F290 HydrophobicContact CD1-CZ 3.88Å; V286-F290 HydrophobicContact CG1-CD2 3.78Å; V286-F290 HydrophobicContact CG1-CE2 3.82Å; V286-F290 WeakPolarHBondContact O-CD2 3.2Å; V286-F290 PolarHBondContact O-N 3.44Å; N287-F290 PolarHBondContact O-N 3.26Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.17Å; F290-R294 WeakPolarHBondContact O-CB 3.2Å; F290-R294 PolarHBondContact O-N 3.05Å
291I85.9Confident83.7Confident71 Ų7167.2 Ų67.236%0.36432%0.322SS..Hα-helixtrans-61.8-43.9174.4-66.6164.1000110.6N287 W289 R295N287-I291 VanDerWaalsContact O-CG1 3.31Å; N287-I291 WeakPolarHBondContact O-CG1 3.3Å; N287-I291 PolarHBondContact O-N 3.43Å; W289-I291 PolarHBondContact O-N 2.9Å; I291-R295 WeakPolarHBondContact O-CG 3.38Å; I291-R295 PolarHBondContact O-N 3.43Å
292N86.6Confident82.6Confident81 Ų8170.7 Ų70.743%0.43334%0.34SS..Hα-helixtrans-69.3-44.9179.3-162.1-86.2000112N288 W289 F290 R295 R296N288-N292 WeakPolarHBondContact O-CB 3.4Å; N288-N292 PolarHBondContact O-N 3.36Å; N288-N292 VanDerWaalsContact O-N 3.09Å; W289-N292 PolarHBondContact O-N 2.83Å; F290-N292 VanDerWaalsContact C-N 3.34Å; F290-N292 PolarHBondContact O-N 3.17Å; N292-R295 PolarHBondContact O-N 3.48Å; N292-R296 WeakPolarHBondContact O-CB 3.46Å; N292-R296 PolarHBondContact O-N 3.03Å; N292-R296 WeakPolarHBondContact OD1-CD 3.22Å
293A86.3Confident81.4Confident7 Ų771.5 Ų71.56%0.05834%0.341CS..Hα-helixtrans-65.1-42.1-179.100000112.1L258 W289 R295 R296 I297L258-A293 HydrophobicContact CD2-CB 3.78Å; W289-A293 HydrophobicContact CD2-CB 4.3Å; W289-A293 HydrophobicContact CE3-CB 3.92Å; W289-A293 HydrophobicContact CH2-CB 3.9Å; W289-A293 HydrophobicContact CZ2-CB 4.29Å; W289-A293 HydrophobicContact CZ3-CB 3.7Å; W289-A293 VanDerWaalsContact O-CB 3.25Å; W289-A293 WeakPolarHBondContact O-CB 3.36Å; W289-A293 PolarHBondContact O-N 2.56Å; A293-R295 PolarHBondContact O-N 2.97Å; A293-R296 PolarHBondContact O-N 3.44Å; A293-I297 HydrophobicContact CB-CD1 4.37Å; A293-I297 VanDerWaalsContact O-CB 3.32Å; A293-I297 WeakPolarHBondContact O-CB 3.01Å; A293-I297 PolarHBondContact O-N 3.18Å
294R86.4Confident80.3Confident61 Ų6174.6 Ų74.623%0.2335%0.354CS..Iπ-helixtrans-60-44.8175.8-173.5172.271.2-138.19.8112.1P265 Y266 F290 V298 Q299P265-R294 HydrophobicContact CB-CG 4.37Å; P265-R294 HydrophobicContact CG-CG 3.86Å; P265-R294 PolarHBondContact O-NH1 2.92Å; Y266-R294 VanDerWaalsContact CD1-NH1 3.34Å; Y266-R294 PolarHBondContact OH-NH2 3.07Å; F290-R294 WeakPolarHBondContact O-CB 3.2Å; F290-R294 PolarHBondContact O-N 3.05Å; R294-V298 HydrophobicContact CG-CB 4.14Å; R294-V298 HydrophobicContact CG-CG2 4.36Å; R294-V298 WeakPolarHBondContact O-CB 3.41Å; R294-V298 PolarHBondContact O-N 2.84Å; R294-V298 VanDerWaalsContact O-N 3.09Å; R294-Q299 PolarHBondContact O-N 3.31Å
295R82.1Confident78.9Confident174 Ų17472.1 Ų72.166%0.65735%0.346SS*.Iπ-helixtrans-66.9-33.3177.9-71.3178.9179.5174.80.5113.3I291 N292 A293I291-R295 WeakPolarHBondContact O-CG 3.38Å; I291-R295 PolarHBondContact O-N 3.43Å; N292-R295 PolarHBondContact O-N 3.48Å; A293-R295 PolarHBondContact O-N 2.97Å
296R81.4Confident77.5Confident189 Ų18974.4 Ų74.471%0.71336%0.361SS*.Iπ-helixtrans-92.7-25.3-175.9-74.9-173167.1179.7-10.6115.6N292 A293N292-R296 WeakPolarHBondContact O-CB 3.46Å; N292-R296 PolarHBondContact O-N 3.03Å; N292-R296 WeakPolarHBondContact OD1-CD 3.22Å; A293-R296 PolarHBondContact O-N 3.44Å
297I77.9Confident75.8Confident54 Ų5485 Ų8528%0.27740%0.401SS..Iπ-helixtrans-112.8-52.2-174-55.6174.5000109.7L258 A293 M301L258-I297 HydrophobicContact CD2-CD1 4.07Å; A293-I297 HydrophobicContact CB-CD1 4.37Å; A293-I297 VanDerWaalsContact O-CB 3.32Å; A293-I297 WeakPolarHBondContact O-CB 3.01Å; A293-I297 PolarHBondContact O-N 3.18Å; I297-M301 HydrophobicContact CG2-SD 4.38Å; I297-M301 WeakPolarHBondContact O-CG 3.47Å
298V75.3Confident74.3Confident5 Ų587.3 Ų87.33%0.0342%0.421CS..Iπ-helixtrans-79.5-43.5-171.2-170.40000112.3L258 L262 P265 R294 M301 I302L258-V298 HydrophobicContact CD1-CG2 4.22Å; L262-V298 HydrophobicContact CD2-CG2 4.23Å; P265-V298 HydrophobicContact CB-CG2 4.25Å; P265-V298 HydrophobicContact CG-CG1 4.19Å; P265-V298 HydrophobicContact CG-CG2 4.25Å; R294-V298 HydrophobicContact CG-CB 4.14Å; R294-V298 HydrophobicContact CG-CG2 4.36Å; R294-V298 WeakPolarHBondContact O-CB 3.41Å; R294-V298 PolarHBondContact O-N 2.84Å; R294-V298 VanDerWaalsContact O-N 3.09Å; V298-M301 WeakPolarHBondContact O-CB 3.19Å; V298-M301 PolarHBondContact O-N 2.85Å; V298-M301 VanDerWaalsContact O-N 3.13Å; V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.1Å; V298-I302 WeakPolarHBondContact O-CG1 3.36Å; V298-I302 PolarHBondContact O-N 3.31Å
299Q67.6Low72.4Confident104 Ų10486.7 Ų86.749%0.48643%0.432SS..Hα-helixtrans-60.4-45.9179.6-82.6-149-55.400114R294 M301 I302 D303R294-Q299 PolarHBondContact O-N 3.31Å; Q299-M301 PolarHBondContact O-N 3.26Å; Q299-I302 PolarHBondContact O-N 3.29Å; Q299-I302 VanDerWaalsContact O-N 3.12Å; Q299-D303 PolarHBondContact O-N 2.77Å
300P70.3Confident70.2Confident57 Ų5793.8 Ų93.837%0.3747%0.467SS..Hα-helixtrans-58.2-33.4173.8-27.736.9000113.8Q304P300-Q304 VanDerWaalsContact O-CB 3.26Å; P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 WeakPolarHBondContact O-CG 3.48Å; P300-Q304 PolarHBondContact O-N 3.41Å
301M65.1Low68Low91 Ų9196.5 Ų96.545%0.44850%0.497SS..Hα-helixtrans-71.7-41.1174.9-68.4176.566.600112.3L262 I297 V298 Q299 S305L262-M301 HydrophobicContact CD2-CE 4.48Å; L262-M301 HydrophobicContact CD2-SD 4.37Å; I297-M301 HydrophobicContact CG2-SD 4.38Å; I297-M301 WeakPolarHBondContact O-CG 3.47Å; V298-M301 WeakPolarHBondContact O-CB 3.19Å; V298-M301 PolarHBondContact O-N 2.85Å; V298-M301 VanDerWaalsContact O-N 3.13Å; Q299-M301 PolarHBondContact O-N 3.26Å; M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.42Å; M301-S305 PolarHBondContact O-OG 3.21Å
302I67Low65.6Low89 Ų8996.4 Ų96.446%0.45651%0.513SS..Hα-helixtrans-64.4-49.3175.9-67.9173.7000110.1V298 Q299 Q304 S305 N306V298-I302 HydrophobicContact CG1-CD1 3.74Å; V298-I302 HydrophobicContact CG1-CG1 4.1Å; V298-I302 WeakPolarHBondContact O-CG1 3.36Å; V298-I302 PolarHBondContact O-N 3.31Å; Q299-I302 PolarHBondContact O-N 3.29Å; Q299-I302 VanDerWaalsContact O-N 3.12Å; I302-Q304 VanDerWaalsContact C-N 3.32Å; I302-Q304 PolarHBondContact O-N 3.36Å; I302-S305 PolarHBondContact O-N 3.31Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 2.96Å; I302-N306 WeakPolarHBondContact O-CB 3.38Å; I302-N306 PolarHBondContact O-N 2.69Å
303D66.1Low64.1Low95 Ų9598.8 Ų98.851%0.50853%0.533SS..Hα-helixtrans-65-36.1-178.6-68-12.7000112Q299 R307Q299-D303 PolarHBondContact O-N 2.77Å; D303-R307 WeakPolarHBondContact O-CB 3.23Å; D303-R307 PolarHBondContact O-N 2.93Å
304Q64.2Low61.8Low137 Ų137109 Ų10964%0.6457%0.571SS**Hα-helixtrans-65.1-44.5170.2-77.2174.53.500111.7P300 I302 N306 R307 S308P300-Q304 VanDerWaalsContact O-CB 3.26Å; P300-Q304 WeakPolarHBondContact O-CB 3.37Å; P300-Q304 WeakPolarHBondContact O-CG 3.48Å; P300-Q304 PolarHBondContact O-N 3.41Å; I302-Q304 VanDerWaalsContact C-N 3.32Å; I302-Q304 PolarHBondContact O-N 3.36Å; Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 3.49Å; Q304-R307 PolarHBondContact O-N 3.25Å; Q304-S308 PolarHBondContact O-N 3.35Å; Q304-S308 PolarHBondContact O-OG 3.17Å
305S59.4Low59.6Low68 Ų68110.3 Ų110.348%0.47659%0.59SS.*Hα-helixtrans-61.4-39.8177.876.60000112M301 I302 S308 G309M301-S305 WeakPolarHBondContact O-CB 3.49Å; M301-S305 PolarHBondContact O-N 3.42Å; M301-S305 PolarHBondContact O-OG 3.21Å; I302-S305 PolarHBondContact O-N 3.31Å; I302-S305 VanDerWaalsContact O-N 3.08Å; I302-S305 PolarHBondContact O-OG 2.96Å; S305-S308 WeakPolarHBondContact CA-OG 3.42Å; S305-S308 PolarHBondContact O-N 2.78Å; S305-S308 PolarHBondContact O-OG 2.92Å; S305-G309 PolarHBondContact O-N 2.92Å
306N57.9Low58.4Low123 Ų123108.2 Ų108.266%0.65860%0.599SS**Hα-helixtrans-72.9-35.3-179.9-138.227.4000111.6I302 Q304 G309I302-N306 WeakPolarHBondContact O-CB 3.38Å; I302-N306 PolarHBondContact O-N 2.69Å; Q304-N306 VanDerWaalsContact C-N 3.31Å; Q304-N306 PolarHBondContact O-N 3.49Å; N306-G309 PolarHBondContact O-N 3.41Å
307R54.6Low56.4Low222 Ų222108.5 Ų108.584%0.83861%0.608SS**Hα-helixtrans-67.6-37.4169.9-94.4-177.7167.5-108.40.4113D303 Q304 G309D303-R307 WeakPolarHBondContact O-CB 3.23Å; D303-R307 PolarHBondContact O-N 2.93Å; Q304-R307 PolarHBondContact O-N 3.25Å; R307-G309 VanDerWaalsContact C-N 3.32Å
308S55.3Low54.6Low90 Ų90109.5 Ų109.563%0.62963%0.632SS**Hα-helixtrans-74.8-20.4175.853.70000113.7Q304 S305Q304-S308 PolarHBondContact O-N 3.35Å; Q304-S308 PolarHBondContact O-OG 3.17Å; S305-S308 WeakPolarHBondContact CA-OG 3.42Å; S305-S308 PolarHBondContact O-N 2.78Å; S305-S308 PolarHBondContact O-OG 2.92Å
309G49.4Very low53Low63 Ų63114.4 Ų114.465%0.64967%0.673SS**Hα-helixtrans-73.4-22.1173.900000114.5S305 N306 R307 G311S305-G309 PolarHBondContact O-N 2.92Å; N306-G309 PolarHBondContact O-N 3.41Å; R307-G309 VanDerWaalsContact C-N 3.32Å; G309-G311 VanDerWaalsContact C-N 3.26Å; G309-G311 PolarHBondContact O-N 3.38Å
310Q44.1Very low51.9Low182 Ų182113.9 Ų113.985%0.8569%0.687SS**SBendtrans-9249173.1-75.1-116.86.700111.6
311G44.4Very low50.6Low64 Ų64119.8 Ų119.866%0.6671%0.714SS**  trans-121.446.1-177.100000113.9G309G309-G311 VanDerWaalsContact C-N 3.26Å; G309-G311 PolarHBondContact O-N 3.38Å
312G36.6Very low49.2Very low68 Ų68119.3 Ų119.370%0.70173%0.732SS**  trans-77.6141.5172.100000112.1
313P54.9Low47.8Very low131 Ų131118.9 Ų118.985%0.85175%0.75SS**  trans-87.2118.3-166.432.6-34.7000114.2
314Y38.5Very low46.4Very low222 Ų222125.5 Ų125.587%0.87177%0.77SS**  trans-151.297.7156.2-149.6-102.9000108.5
315S38.9Very low45.4Very low89 Ų89122.1 Ų122.162%0.62277%0.771SS**  72.7118.395.4-156.70000113.7
316P56.8Low44.8Very low130 Ų130126.9 Ų126.984%0.84479%0.791SS**  trans-96.694.5-169.736.5-32.8000113.2
317E39.6Very low44.1Very low195 Ų195128.1 Ų128.191%0.91180%0.797SS**  trans-153.2142.2164.6-150.6-176.2150.100112.9
318G39.7Very low43.2Very low75 Ų75120.8 Ų120.877%0.77379%0.79SS**  trans90.560.715100000119.3
319A42.3Very low42.4Very low107 Ų107125.3 Ų125.388%0.88480%0.801SS**  trans-149.949.215600000113.3
320A44.4Very low41.9Very low94 Ų94125.9 Ų125.978%0.77780%0.8SS**  trans-88.2121.5158.500000108.6
321L43.6Very low41.6Very low181 Ų181125.1 Ų125.195%0.94880%0.797SS**  trans177.1126.1143.8-99.6167.9000112
322G35.2Very low41.5Very low81 Ų81129.4 Ų129.484%0.83580%0.803SS**  trans78.5115.7162.900000116.5
323G37.5Very low41.4Very low80 Ų80128.9 Ų128.983%0.82580%0.798SS**  cis117.385.5-2.300000113.8
324Y37.3Very low40.6Very low234 Ų234129.6 Ų129.692%0.91879%0.794SS**  trans-150.4143.3145.563.1-88.6000108.4
325G42.6Very low40.3Very low66 Ų66129 Ų12968%0.6879%0.791SS**  trans-119.8157.518000000111.5
326L47Very low40.1Very low168 Ų168130.4 Ų130.488%0.8880%0.795SS**  trans-157.2149.7145.3-115.2154.5000109.4
327D42.6Very low38.9Very low149 Ų149131 Ų13180%0.79780%0.797SS**  trans-109.5166-15537.2-82.4000113.6
328G36.3Very low38.5Very low67 Ų67125.3 Ų125.369%0.69179%0.79SS**  trans167.882.517300000117.4
329Q39.2Very low38.5Very low185 Ų185129.9 Ų129.986%0.86480%0.796SS**  trans53.6132.5138.9-119.850.911.600121
330A38.8Very low38.7Very low76 Ų76130.9 Ų130.963%0.62879%0.793SS**  cis-165.8136.9-8.400000113.8
331H37.1Very low38.2Very low166 Ų166129.7 Ų129.777%0.76979%0.79SS**  39.6116.9124.6-164.3-110.7000122.7
332L43.3Very low37.9Very low153 Ų153129.5 Ų129.580%0.80179%0.787SS**  -171.5143.2112.3-100.5168.2000112
333G34.6Very low37.7Very low58 Ų58131.2 Ų131.260%0.59879%0.785SS**  trans-86.5-167.7175.700000114
334L37.6Very low37.6Very low146 Ų146132.4 Ų132.476%0.76478%0.781SS**  cis-172.8154.146-13075.8000111.9
335R31.6Very low37.5Very low210 Ų210128 Ų12879%0.79277%0.773SS**  trans76.4113.6147.4-55.2-85.8106.8149.2-2.3122.9
336T35.1Very low36.8Very low117 Ų117132.9 Ų132.972%0.71878%0.778SS**  trans1.3142.3133.4-177.50000122.1
337T32.1Very low36.1Very low144 Ų144128.3 Ų128.388%0.88377%0.771SS**  trans-160.7121.4135.3210000114.9
338G30Very low35.4Very low74 Ų74130.3 Ų130.376%0.76378%0.776SS**  57.9114.3128.300000123.8
339L39.7Very low35.5Very low171 Ų171137.6 Ų137.690%0.89578%0.784SS**  trans-75.1161.4143.7-75.8167.3000110.5
340P46.6Very low36.1Very low129 Ų129134.9 Ų134.984%0.83878%0.782SS**  -139.3160.7101.836.7-23.9000113.7
341G34.5Very low36Very low68 Ų68135.8 Ų135.870%0.70179%0.79SS**  trans-125.6-168.5175.700000112.5
342M37.5Very low35.8Very low178 Ų178132.1 Ų132.188%0.87779%0.788SS**  trans-168159.9157.155.7179.166.400114.3
343S31.2Very low35.2Very low116 Ų116132.6 Ų132.681%0.81179%0.791SS**  trans91.4108.4154.2-56.80000119.3
344S34.9Very low35.3Very low105 Ų105137.4 Ų137.473%0.73480%0.802SS**  trans-94157.7168.6178.20000109.9
345L35.5Very low35Very low141 Ų141135.9 Ų135.974%0.73880%0.803SS**  174.9147.3112.5-91.8173.4000114.2
346Q28.6Very low35.4Very low170 Ų170134.8 Ų134.879%0.79481%0.807SS**  trans52.9125.4153.7-83.1146.8-46.600120.7
347G32.2Very low36.2Very low71 Ų71135.2 Ų135.273%0.73281%0.812SS**  trans-121.5178.2154.500000109.9
348E26.9Very low36.2Very low192 Ų192131.4 Ų131.490%0.89780%0.801SS**  trans-148.6131.2168.3-106169.2103.800109.4
349Y39.1Very low37.3Very low220 Ų220134 Ų13486%0.86381%0.805SS**  trans-89159.4155.5-72.8-88.4000107.5
350P50.6Low36.8Very low128 Ų128129.1 Ų129.183%0.83180%0.795SS**  -140.2154.796.331.9-16.4000114.3
351A37.4Very low36.2Very low95 Ų95130.5 Ų130.579%0.78580%0.802SS**  trans-96.3149.816500000110.4
352A31.9Very low36.2Very low89 Ų89132.2 Ų132.274%0.73680%0.803SS**  trans167.6132.3132.400000111.9
353L31.8Very low35.9Very low163 Ų163130.8 Ų130.885%0.85380%0.798SS**  166.8105.8109.3-88.1172.2000113.1
354L36.8Very low36.2Very low159 Ų159133.8 Ų133.883%0.83280%0.799SS**  trans17.7121.8132.7-158.179.6000120.1
355S30.8Very low35.9Very low114 Ų114133.9 Ų133.980%0.79780%0.8SS**  179.4137.6125.4-83.30000115.5
356Q40.5Very low36.2Very low187 Ų187137.8 Ų137.887%0.87481%0.806SS**  trans-132.8144.2150.7-101.4-154.681.900105.9
357P50.9Low37.3Very low125 Ų125135.5 Ų135.581%0.81281%0.806SS**  -147.8-177.982.534.2-12.6000115.4
358G33.6Very low37.7Very low64 Ų64135 Ų13566%0.6680%0.801SS**  trans-80.3-145.3175.400000114.3
359P51.3Low39.5Very low130 Ų130130.8 Ų130.884%0.84479%0.79SS**  cis-138.7173-1.242.7-25.8000116.5
360G30.8Very low39.6Very low67 Ų67128.4 Ų128.469%0.69179%0.787SS**  trans74.7128.514300000122.1
361T34.4Very low39.8Very low159 Ų159126.9 Ų126.998%0.97578%0.776SS**  174.5169.4114.632.90000111.4
362S32.7Very low40Very low103 Ų103130.7 Ų130.772%0.7278%0.778SS**  trans-129.9155.8-163.9175.80000112
363L31.8Very low40.9Very low148 Ų148132.2 Ų132.278%0.77578%0.78SS**  trans142.2108.2140.3-95.292.1000115
364H36.6Very low41.1Very low180 Ų180128 Ų12883%0.83377%0.769SS**  174.6109.8129.2-108.454.3000107.1
365S29.6Very low41.2Very low107 Ų107128.3 Ų128.375%0.74877%0.768SS**  75.6106.953.9-143.20000113.9
366Y41.3Very low41.6Very low222 Ų222129.7 Ų129.787%0.87177%0.766SS**  trans-60.7163.7174.7-89.5-89.8000113.3
367P51.6Low41.5Very low123 Ų123128.3 Ų128.380%0.79976%0.764SS**  -146.7160.583.837-17.5000117.2
368G40.5Very low40.9Very low61 Ų61130.9 Ų130.963%0.62977%0.765SS**  trans-82.4-128152.500000109.1
369P65Low41.6Very low102 Ų102133.2 Ų133.266%0.66277%0.768SS**  cis-123.4-157.1-28.340-24.1000110
370H41.5Very low41.7Very low171 Ų171132.6 Ų132.679%0.79276%0.764SS**  trans161158.1133.5-83.9-53.6000114.5
371P55.2Low42.5Very low95 Ų95135.1 Ų135.162%0.61777%0.768SS**  trans-141.4177.6-134.346.3-29.6000118.1
372H40.6Very low42.5Very low175 Ų175136.7 Ų136.781%0.8176%0.764SS**  trans59166141.8-85.5-50.1000119.9
373P51.9Low42.9Very low121 Ų121135.8 Ų135.879%0.78676%0.763SS**  cis-135.717626.341.6-22.3000118.3
374A36.5Very low43.1Very low76 Ų76137.7 Ų137.763%0.62877%0.768SS**  trans-101.5158.7168.600000111.4
375M37.2Very low43.5Very low164 Ų164134.9 Ų134.981%0.80877%0.765SS**  trans-167.4137168.8-88.5-53.797.100105.6
376L39.5Very low44.3Very low144 Ų144134.6 Ų134.675%0.75477%0.77SS**  cis-149.5156.611.4-92148.3000110.5
377L39.2Very low44.1Very low157 Ų157132.8 Ų132.882%0.82277%0.769SS**  trans-74.2151.3159.4-86.971.9000110.6
378H38.4Very low43.5Very low180 Ų180131.9 Ų131.983%0.83376%0.763SS**  trans-158.5148.5136.1-96.891.3000110.8
379P47.1Very low43.6Very low113 Ų113136.6 Ų136.673%0.73477%0.773SS**  trans-94.8-179.7-175.240.6-37.6000113.6
380P53.3Low42.5Very low116 Ų116139.4 Ų139.475%0.75378%0.781SS**  trans-101.3174-153.140.5-38000115.8
381P48.1Very low42.5Very low121 Ų121135.5 Ų135.579%0.78678%0.778SS**  trans-105.4120158.934.6-24.5000113.3
382H35.7Very low41.9Very low191 Ų191139.6 Ų139.688%0.88479%0.789SS**  trans25131.1150.2-72-89.2000123.4
383A40.1Very low42Very low85 Ų85134.5 Ų134.570%0.70278%0.784SS**  trans-62.8158.5170.400000115.9
384H35.3Very low41.4Very low188 Ų188134.3 Ų134.387%0.8778%0.776SS**  trans-168.8160138.2-99.1-59.3000109.1
385P45.4Very low41.4Very low120 Ų120138 Ų13878%0.77979%0.785SS**  -100.5179.3-95.838.8-30000114.7
386A46.9Very low42Very low102 Ų102135.8 Ų135.884%0.84378%0.775SS**  trans-70.4139.1-175.900000114.6
387E37.8Very low42.1Very low183 Ų183137.1 Ų137.186%0.85578%0.777SS**  trans-115.6147.4151.5-75.9-158.2104.800109.7L389E387-L389 PolarHBondContact O-N 3.03Å
388P38.6Very low42.2Very low104 Ų104133.7 Ų133.768%0.67577%0.772SS**  trans-80110.9-173.430.9-33.8000112.4I390P388-I390 HydrophobicContact CB-CD1 4.24Å; P388-I390 HydrophobicContact CB-CG1 4.16Å; P388-I390 PolarHBondContact O-N 3.3Å
389L41.5Very low42Very low160 Ų160137.5 Ų137.584%0.83879%0.789SS**  trans-72.364.3168-79.4171.1000112E387E387-L389 PolarHBondContact O-N 3.03Å
390I42.8Very low41.8Very low161 Ų161138.8 Ų138.883%0.82679%0.792SS**  trans-112.347.4173.4-45.4176.7000109.2P388P388-I390 HydrophobicContact CB-CD1 4.24Å; P388-I390 HydrophobicContact CB-CG1 4.16Å; P388-I390 PolarHBondContact O-N 3.3Å
391A42.1Very low41.2Very low90 Ų90139.9 Ų139.974%0.74479%0.794SS**SBendtrans-142.511.4-172.400000115.4
392Q42Very low40.8Very low180 Ų180141 Ų14184%0.84180%0.795SS**SBendtrans-130.58.8179.7-70.7-171.3-32.400114.5
393G43.5Very low41.1Very low68 Ų68138.1 Ų138.170%0.70179%0.789SS**SBendtrans-92117.9171.700000111.2
394L39.5Very low41.2Very low118 Ų118141.4 Ų141.462%0.61880%0.795SS**  trans84.256.8172.2-52.3156.7000115.7I396L394-I396 HydrophobicContact CB-CD1 4.29Å; L394-I396 HydrophobicContact CB-CG1 4.18Å; L394-I396 HydrophobicContact CD2-CD1 4.42Å
395D35.2Very low41.6Very low152 Ų152138.3 Ų138.381%0.81379%0.79SS**  trans-69.7121.1144.9-157.3-66000107.9
396I49.2Very low41.3Very low118 Ų118139.6 Ų139.661%0.60579%0.791SS**  trans-122.875.1-176-52.6177.6000108L394L394-I396 HydrophobicContact CB-CD1 4.29Å; L394-I396 HydrophobicContact CB-CG1 4.18Å; L394-I396 HydrophobicContact CD2-CD1 4.42Å
397H42.5Very low40.8Very low172 Ų172142.5 Ų142.580%0.79679%0.787SS**  trans-147.5120.7161.2-118.4-90.1000111.8
398A41.9Very low41.1Very low86 Ų86139.1 Ų139.171%0.71178%0.781SS**  trans33.1108.9160.200000119.8
399H34.3Very low41.3Very low260 Ų260142.3 Ų142.3100%1.20479%0.791SS**  -159.60107.2-124.7-63.5000114.7

Retrieved 399 of 399 residues in 597.4 ms (Link to these results)