A0A096MC78_POEFO Loading...

Even-skipped homeobox 2

AlphaFold DB , UniProt , Accession A0A096MC78, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 267 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
1M39.9Very low43.2Very low239 Ų239126.2 Ų126.2100%1.17782%0.82SS**  092.90-70.6148.8161.300107.1
2N38.7Very low44Very low172 Ų172122.8 Ų122.892%0.9280%0.802SS**  trans-106.8113175.9-78.823.5000107.8
3G38.8Very low44.1Very low66 Ų66123.2 Ų123.268%0.6879%0.793SS**  trans-99.1148176.200000112.2
4N43.9Very low44.8Very low161 Ų161121.3 Ų121.386%0.86178%0.779SS**  trans56.3131.1138.5-93.655.8000118.9
5S41.4Very low45.2Very low101 Ų101122.4 Ų122.471%0.70678%0.776SS**  cis-159.6136.229.5-58.90000109.5
6A47.1Very low45.3Very low103 Ų103124.7 Ų124.785%0.85177%0.774SS**  trans-71.8125.2168.400000109.5G8A6-G8 PolarHBondContact O-N 2.94Å
7G38.3Very low45.8Very low74 Ų74124.1 Ų124.176%0.76377%0.769SS**  trans-62.8112.1173.500000111S9G7-S9 PolarHBondContact O-N 3.23Å; G7-S9 VanDerWaalsContact O-N 3.13Å
8G41.7Very low46.5Very low71 Ų71129.4 Ų129.473%0.73277%0.773SS**  trans-70.995.9162.600000109.2A6 N10A6-G8 PolarHBondContact O-N 2.94Å; G8-N10 PolarHBondContact O-N 3.45Å; G8-N10 VanDerWaalsContact O-N 3.12Å
9S47.5Very low47.5Very low115 Ų115135.1 Ų135.180%0.80478%0.779SS**  trans-65.9108.9168.6-71.50000109.3G7 N11G7-S9 PolarHBondContact O-N 3.23Å; G7-S9 VanDerWaalsContact O-N 3.13Å; S9-N11 PolarHBondContact O-N 3.27Å
10N46.9Very low48.9Very low145 Ų145139.1 Ų139.178%0.77578%0.782SS**  trans-49.798.7168.8-77.6-44.8000111G8 S12G8-N10 PolarHBondContact O-N 3.45Å; G8-N10 VanDerWaalsContact O-N 3.12Å; N10-S12 VanDerWaalsContact C-N 3.25Å; N10-S12 PolarHBondContact O-N 3.34Å
11N51.7Low50.5Low141 Ų141143.6 Ų143.675%0.75479%0.787SS**  trans-93.253.8175-130.7-1.3000110S9S9-N11 PolarHBondContact O-N 3.27Å
12S51.7Low52.6Low86 Ų86137.3 Ų137.360%0.60176%0.762SS**  trans-119.710.2-179.653.70000113.5N10N10-S12 VanDerWaalsContact C-N 3.25Å; N10-S12 PolarHBondContact O-N 3.34Å
13N45.8Very low55.2Low128 Ų128133.3 Ų133.368%0.68475%0.753SS**SBendtrans-115.3-1.2-175.7-116.7-21.7000114.9
14T53.9Low57.9Low96 Ų96133 Ų13359%0.58973%0.733SS**SBendtrans-92.6-21.5-178.150.10000113.6
15D51.6Low60.5Low138 Ų138128.9 Ų128.974%0.73871%0.714SS**SBendtrans-86.4-19177.5-87.2-54.5000114.3V17D15-V17 PolarHBondContact O-N 2.98Å
16Q46.7Very low63.1Low159 Ų159134.2 Ų134.274%0.74372%0.718SS**THydrogen-bonded Turntrans-77.6-4.1175.1-68.3-67-7.200113.2R18Q16-R18 PolarHBondContact O-N 3.43Å
17V53.2Low65.5Low115 Ų115136.9 Ų136.970%0.69771%0.713SS**THydrogen-bonded Turntrans-85.714.2176.9-164.30000111.8D15 R19D15-V17 PolarHBondContact O-N 2.98Å; V17-R19 PolarHBondContact O-N 3.34Å
18R57.7Low68.3Low220 Ų220134.9 Ų134.983%0.8368%0.684SS**SBendtrans-68.6102160.1-90.1179.4165.8178.6-0.6107.7Q16 Y20Q16-R18 PolarHBondContact O-N 3.43Å; R18-Y20 PolarHBondContact O-N 3.19Å; R18-Y20 VanDerWaalsContact O-N 3.07Å
19R65.3Low71Confident237 Ų237133.7 Ų133.789%0.89466%0.66SS**  trans-37.3120174.8-65.2-177.2-158.5155.15.9109.8V17 R21V17-R19 PolarHBondContact O-N 3.34Å; R19-R21 PolarHBondContact O-N 2.98Å
20Y76.2Confident73.4Confident214 Ų214129.9 Ų129.984%0.83964%0.64SS**  trans-50.5125.2178.1-172.2-97.3000109.3R18 T22R18-Y20 PolarHBondContact O-N 3.19Å; R18-Y20 VanDerWaalsContact O-N 3.07Å; Y20-T22 PolarHBondContact O-N 3.37Å
21R81.9Confident75.9Confident234 Ų234127.4 Ų127.488%0.88362%0.62SS**  trans-83.2110.3179.1-70.4-172.6178.3-145.71.4108.3R19 A23R19-R21 PolarHBondContact O-N 2.98Å; R21-A23 PolarHBondContact O-N 2.95Å
22T85.3Confident78.1Confident107 Ų107120.7 Ų120.766%0.65658%0.584SS**PPolyproline II helixtrans-71.1127.1169.5-46.30000109.5Y20Y20-T22 PolarHBondContact O-N 3.37Å
23A92.4Very high80.3Confident88 Ų88119.5 Ų119.573%0.72757%0.569SS**PPolyproline II helixtrans-85.1141.2170.900000110.1R21R21-A23 PolarHBondContact O-N 2.95Å
24F96.1Very high82.8Confident59 Ų59120.2 Ų120.226%0.25957%0.565SS.*PPolyproline II helixtrans-83.3145.5172.9-58-52000110.6Q28 I29 L56 T60 W64F24-Q28 HydrophobicContact CB-CB 4.28Å; F24-I29 HydrophobicContact CB-CD1 4.19Å; F24-I29 HydrophobicContact CB-CG1 3.78Å; F24-L56 HydrophobicContact CD1-CD1 3.84Å; F24-L56 HydrophobicContact CD1-CD2 4.03Å; F24-L56 HydrophobicContact CE1-CD1 3.87Å; F24-L56 HydrophobicContact CE1-CD2 3.9Å; F24-T60 HydrophobicContact CE1-CG2 3.4Å; F24-T60 VanDerWaalsContact CE1-CG2 3.4Å; F24-T60 HydrophobicContact CZ-CG2 3.3Å; F24-W64 AromaticContact CD2-CD1 3.7Å; F24-W64 AromaticContact CE2-CD1 3.51Å; F24-W64 HydrophobicContact CE2-CG 4.43Å
25T97.4Very high84.9Confident75 Ų75116.1 Ų116.146%0.4654%0.54SS..PPolyproline II helixtrans-69.4160.9172.672.50000110.7E27 Q28 I29T25-E27 VanDerWaalsContact C-N 3.26Å; T25-E27 PolarHBondContact O-N 3.04Å; T25-Q28 PolarHBondContact O-N 2.95Å; T25-Q28 VanDerWaalsContact OG1-CG 3.28Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.28Å; T25-Q28 PolarHBondContact OG1-N 3.39Å; T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 2.82Å
26R97.1Very high87.1Confident213 Ų213109.8 Ų109.880%0.80451%0.506SS*.Hα-helixtrans-58.1-40.3177.1-176.559.6139.5173.7-6112.1I29 G30R26-I29 PolarHBondContact O-N 3.46Å; R26-G30 PolarHBondContact O-N 2.83Å
27E97.4Very high89.5Confident160 Ų160110.4 Ų110.475%0.74850%0.502SS*.Hα-helixtrans-64.2-46.5177.9-171.4-169.816800111.7T25 I29 G30 R31T25-E27 VanDerWaalsContact C-N 3.26Å; T25-E27 PolarHBondContact O-N 3.04Å; E27-I29 VanDerWaalsContact C-N 3.32Å; E27-I29 PolarHBondContact O-N 2.97Å; E27-G30 PolarHBondContact O-N 3.4Å; E27-R31 PolarHBondContact O-N 3.04Å
28Q97.8Very high91.6Very high32 Ų32111.6 Ų111.615%0.1549%0.494CS..Hα-helixtrans-58-46.1176.3-74172.8-27.300111.2F24 T25 R31 L32 L54 L56F24-Q28 HydrophobicContact CB-CB 4.28Å; T25-Q28 PolarHBondContact O-N 2.95Å; T25-Q28 VanDerWaalsContact OG1-CG 3.28Å; T25-Q28 WeakPolarHBondContact OG1-CG 3.28Å; T25-Q28 PolarHBondContact OG1-N 3.39Å; Q28-R31 PolarHBondContact O-N 3.49Å; Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 WeakPolarHBondContact O-CD1 3.33Å; Q28-L32 VanDerWaalsContact O-CG 3.23Å; Q28-L32 WeakPolarHBondContact O-CG 3.41Å; Q28-L32 PolarHBondContact O-N 3.43Å; Q28-L54 HydrophobicContact CG-CB 4.35Å; Q28-L54 HydrophobicContact CG-CD2 4.26Å; Q28-L54 PolarHBondContact NE2-O 3.06Å; Q28-L56 HydrophobicContact CG-CD1 4.46Å
29I97.8Very high93.4Very high45 Ų45105 Ų10523%0.23147%0.473CS..Hα-helixtrans-61.2-47.6176.7-64.8165.9000110.5F24 T25 R26 E27 R31 L32 E33F24-I29 HydrophobicContact CB-CD1 4.19Å; F24-I29 HydrophobicContact CB-CG1 3.78Å; T25-I29 WeakPolarHBondContact O-CG1 3.35Å; T25-I29 PolarHBondContact O-N 2.82Å; R26-I29 PolarHBondContact O-N 3.46Å; E27-I29 VanDerWaalsContact C-N 3.32Å; E27-I29 PolarHBondContact O-N 2.97Å; I29-R31 VanDerWaalsContact C-N 3.31Å; I29-R31 PolarHBondContact O-N 3.06Å; I29-L32 PolarHBondContact O-N 3.18Å; I29-E33 HydrophobicContact CG2-CG 4.07Å; I29-E33 WeakPolarHBondContact O-CB 3.23Å; I29-E33 WeakPolarHBondContact O-CG 3.48Å; I29-E33 PolarHBondContact O-N 3.04Å
30G98.2Very high94.9Very high36 Ų3696.6 Ų96.637%0.37145%0.446SS..Hα-helixtrans-59.7-40.1-179.200000112.8R26 E27 K34R26-G30 PolarHBondContact O-N 2.83Å; E27-G30 PolarHBondContact O-N 3.4Å; G30-K34 WeakPolarHBondContact O-CB 3.42Å; G30-K34 PolarHBondContact O-N 3.07Å
31R97.9Very high96Very high93 Ų9393.8 Ų93.835%0.35144%0.435SS..Hα-helixtrans-67.2-42.7176.1-160.375.3-178.781.9-2.7112E27 Q28 I29 K34 E35 L54E27-R31 PolarHBondContact O-N 3.04Å; Q28-R31 PolarHBondContact O-N 3.49Å; I29-R31 VanDerWaalsContact C-N 3.31Å; I29-R31 PolarHBondContact O-N 3.06Å; R31-K34 PolarHBondContact O-N 3.18Å; R31-E35 IonicContact CZ-OE1 3.79Å; R31-E35 IonicContact NH1-OE1 2.83Å; R31-E35 PolarHBondContact NH1-OE1 3.46Å; R31-E35 IonicContact NH2-OE1 3.97Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.07Å; R31-L54 HydrophobicContact CB-CD1 4.23Å; R31-L54 HydrophobicContact CB-CD2 3.8Å; R31-L54 HydrophobicContact CG-CD1 4.49Å; R31-L54 HydrophobicContact CG-CD2 4Å
32L98.3Very high96.7Very high0 Ų083.6 Ų83.60%040%0.398CS..Hα-helixtrans-65-40.8177.2-70.8168.2000112.1Q28 I29 E35 F36 L54 I61 W64 F65Q28-L32 WeakPolarHBondContact O-CB 3.35Å; Q28-L32 WeakPolarHBondContact O-CD1 3.33Å; Q28-L32 VanDerWaalsContact O-CG 3.23Å; Q28-L32 WeakPolarHBondContact O-CG 3.41Å; Q28-L32 PolarHBondContact O-N 3.43Å; I29-L32 PolarHBondContact O-N 3.18Å; L32-E35 PolarHBondContact O-N 3.45Å; L32-F36 WeakPolarHBondContact O-CB 3.42Å; L32-F36 PolarHBondContact O-N 2.96Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.85Å; L32-L54 HydrophobicContact CG-CD1 3.72Å; L32-I61 HydrophobicContact CD2-CD1 3.74Å; L32-I61 HydrophobicContact CD2-CG2 4.28Å; L32-W64 HydrophobicContact CB-CD2 3.98Å; L32-W64 HydrophobicContact CB-CE3 3.89Å; L32-W64 HydrophobicContact CB-CH2 3.56Å; L32-W64 HydrophobicContact CB-CZ2 3.63Å; L32-W64 HydrophobicContact CB-CZ3 3.69Å; L32-W64 HydrophobicContact CD1-CD2 3.8Å; L32-W64 HydrophobicContact CD1-CE3 4.38Å; L32-W64 HydrophobicContact CD1-CG 3.84Å; L32-W64 HydrophobicContact CD1-CZ2 4.45Å; L32-W64 HydrophobicContact CD2-CE3 4.33Å; L32-W64 HydrophobicContact CG-CD2 4.32Å; L32-W64 HydrophobicContact CG-CE3 4.44Å; L32-F65 HydrophobicContact CD2-CE2 3.98Å
33E98.2Very high97.3Very high61 Ų6181 Ų8129%0.28539%0.385SS..Hα-helixtrans-63.8-45.8175.2-74.4-178.8166.900111.2I29 E35 F36 Y37 W64I29-E33 HydrophobicContact CG2-CG 4.07Å; I29-E33 WeakPolarHBondContact O-CB 3.23Å; I29-E33 WeakPolarHBondContact O-CG 3.48Å; I29-E33 PolarHBondContact O-N 3.04Å; E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 3.28Å; E33-F36 WeakPolarHBondContact O-CB 3.49Å; E33-F36 PolarHBondContact O-N 2.67Å; E33-Y37 HydrophobicContact CB-CE2 4.25Å; E33-Y37 WeakPolarHBondContact O-CD2 3.12Å; E33-Y37 PolarHBondContact O-N 3.4Å; E33-W64 HydrophobicContact CG-CH2 3.93Å; E33-W64 HydrophobicContact CG-CZ2 3.97Å
34K98Very high97.5Very high142 Ų14286 Ų8662%0.61739%0.385SS*.Hα-helixtrans-54.7-42.7175.8-176.5174.2-178.9174.60112.2G30 R31 R38G30-K34 WeakPolarHBondContact O-CB 3.42Å; G30-K34 PolarHBondContact O-N 3.07Å; R31-K34 PolarHBondContact O-N 3.18Å; K34-R38 PolarHBondContact O-N 2.95Å
35E98Very high97.6Very high11 Ų1187.1 Ų87.15%0.05140%0.398CS..Hα-helixtrans-70.2-38.7175.8-65.6-58.6137.100112.7R31 L32 E33 Y37 R38 E39 R46 L50 F65R31-E35 IonicContact CZ-OE1 3.79Å; R31-E35 IonicContact NH1-OE1 2.83Å; R31-E35 PolarHBondContact NH1-OE1 3.46Å; R31-E35 IonicContact NH2-OE1 3.97Å; R31-E35 WeakPolarHBondContact O-CG 3.37Å; R31-E35 PolarHBondContact O-N 3.07Å; L32-E35 PolarHBondContact O-N 3.45Å; E33-E35 VanDerWaalsContact C-N 3.26Å; E33-E35 PolarHBondContact O-N 3.28Å; E35-Y37 VanDerWaalsContact C-N 3.28Å; E35-Y37 PolarHBondContact O-N 3.4Å; E35-R38 WeakPolarHBondContact O-CA 3.18Å; E35-R38 WeakPolarHBondContact O-CB 3.29Å; E35-R38 PolarHBondContact O-N 3.12Å; E35-R38 IonicContact OE2-CZ 3.68Å; E35-R38 IonicContact OE2-NH1 2.89Å; E35-R38 IonicContact OE2-NH2 3.97Å; E35-E39 PolarHBondContact O-N 3.01Å; E35-R46 IonicContact OE1-CZ 3.66Å; E35-R46 IonicContact OE1-NE 2.65Å; E35-R46 IonicContact OE1-NH2 2.79Å; E35-R46 PolarHBondContact OE1-NH2 3.34Å; E35-R46 IonicContact OE2-CZ 3.94Å; E35-R46 VanDerWaalsContact OE2-CZ 3.24Å; E35-R46 IonicContact OE2-NE 3.61Å; E35-R46 PolarHBondContact OE2-NE 2.92Å; E35-R46 IonicContact OE2-NH2 2.67Å; E35-R46 PolarHBondContact OE2-NH2 2.91Å; E35-L50 HydrophobicContact CB-CD1 4.24Å; E35-L50 HydrophobicContact CG-CD1 3.9Å; E35-L50 HydrophobicContact CG-CD2 3.64Å; E35-L50 HydrophobicContact CG-CG 4.35Å; E35-F65 HydrophobicContact CB-CZ 4.1Å
36F98Very high97.6Very high5 Ų585.6 Ų85.62%0.02238%0.384CS..Hα-helixtrans-61.3-37.1177.3-174.6-96.1000112.7L32 E33 R38 E39 N40 W64 F65 R68 R69 D72L32-F36 WeakPolarHBondContact O-CB 3.42Å; L32-F36 PolarHBondContact O-N 2.96Å; E33-F36 WeakPolarHBondContact O-CB 3.49Å; E33-F36 PolarHBondContact O-N 2.67Å; F36-R38 PolarHBondContact O-N 3.47Å; F36-E39 WeakPolarHBondContact CA-O 3.27Å; F36-E39 CarbonylContact O-C 3.34Å; F36-N40 WeakPolarHBondContact CE1-OD1 3.42Å; F36-N40 HydrophobicContact CE2-CB 4.07Å; F36-N40 HydrophobicContact CZ-CB 4.27Å; F36-N40 WeakPolarHBondContact CZ-OD1 3.46Å; F36-W64 HydrophobicContact CB-CH2 4.38Å; F36-W64 HydrophobicContact CB-CZ3 4.19Å; F36-F65 HydrophobicContact CB-CE1 4.33Å; F36-F65 HydrophobicContact CD2-CD1 4Å; F36-F65 HydrophobicContact CD2-CE1 4.07Å; F36-R68 HydrophobicContact CD1-CG 3.83Å; F36-R68 HydrophobicContact CD2-CB 4.25Å; F36-R68 HydrophobicContact CD2-CG 3.56Å; F36-R68 HydrophobicContact CE1-CG 3.87Å; F36-R68 VanDerWaalsContact CE1-CZ 3.43Å; F36-R68 HydrophobicContact CE2-CB 4.18Å; F36-R68 HydrophobicContact CE2-CG 3.6Å; F36-R68 HydrophobicContact CG-CG 3.68Å; F36-R68 HydrophobicContact CZ-CG 3.74Å; F36-R69 HydrophobicContact CE2-CG 3.76Å; F36-R69 HydrophobicContact CZ-CG 4.25Å; F36-D72 HydrophobicContact CZ-CB 4.21Å
37Y97.3Very high97.7Very high171 Ų17178.1 Ų78.167%0.67136%0.355SS*.Hα-helixtrans-63.9-31.7173.1-74.5-65.7000112.6E33 E35E33-Y37 HydrophobicContact CB-CE2 4.25Å; E33-Y37 WeakPolarHBondContact O-CD2 3.12Å; E33-Y37 PolarHBondContact O-N 3.4Å; E35-Y37 VanDerWaalsContact C-N 3.28Å; E35-Y37 PolarHBondContact O-N 3.4Å
38R97.1Very high97.7Very high141 Ų14172.8 Ų72.853%0.53234%0.336SS..Hα-helixtrans-75.9-50.5176.9-149.8-174.874.7-177.44.9110.9K34 E35 F36K34-R38 PolarHBondContact O-N 2.95Å; E35-R38 WeakPolarHBondContact O-CA 3.18Å; E35-R38 WeakPolarHBondContact O-CB 3.29Å; E35-R38 PolarHBondContact O-N 3.12Å; E35-R38 IonicContact OE2-CZ 3.68Å; E35-R38 IonicContact OE2-NH1 2.89Å; E35-R38 IonicContact OE2-NH2 3.97Å; F36-R38 PolarHBondContact O-N 3.47Å
39E96.3Very high97.7Very high81 Ų8176.1 Ų76.138%0.37935%0.351SS..  trans-143124.5-179.9-70.4164.9-123.100110.2E35 F36 Y41E35-E39 PolarHBondContact O-N 3.01Å; F36-E39 WeakPolarHBondContact CA-O 3.27Å; F36-E39 CarbonylContact O-C 3.34Å; E39-Y41 PolarHBondContact O-N 2.89Å
40N96.8Very high97.8Very high61 Ų6174.1 Ų74.133%0.32634%0.341SS..SBendtrans-70.3-14-179.7-79.9-107.7000113.1F36 R69F36-N40 WeakPolarHBondContact CE1-OD1 3.42Å; F36-N40 HydrophobicContact CE2-CB 4.07Å; F36-N40 HydrophobicContact CZ-CB 4.27Å; F36-N40 WeakPolarHBondContact CZ-OD1 3.46Å; N40-R69 WeakPolarHBondContact O-CD 2.99Å
41Y97.8Very high97.7Very high155 Ų15573 Ų7361%0.60833%0.328SS*.SBendtrans-127.1130.1179.4-68.3-96.7000108.9E39 R69E39-Y41 PolarHBondContact O-N 2.89Å; Y41-R69 PolarHBondContact OH-NH1 3.48Å; Y41-R69 VanDerWaalsContact OH-NH1 3.07Å
42V97.4Very high97.7Very high19 Ų1972 Ų7212%0.11534%0.34CS..  trans-94.9122-179.7680000111.1R46 R47 L50 F65V42-R46 HydrophobicContact CG2-CB 3.89Å; V42-R46 HydrophobicContact CG2-CG 3.89Å; V42-R47 HydrophobicContact CG1-CB 4.32Å; V42-R47 HydrophobicContact CG1-CG 4.42Å; V42-R47 HydrophobicContact CG2-CB 4.03Å; V42-R47 PolarHBondContact O-NH2 3.44Å; V42-L50 HydrophobicContact CG2-CD1 4.08Å; V42-F65 HydrophobicContact CB-CD1 4.11Å; V42-F65 HydrophobicContact CB-CD2 4.31Å; V42-F65 HydrophobicContact CB-CE1 3.94Å; V42-F65 HydrophobicContact CB-CE2 4.16Å; V42-F65 HydrophobicContact CB-CG 4.29Å; V42-F65 HydrophobicContact CB-CZ 3.97Å; V42-F65 HydrophobicContact CG1-CB 4.44Å; V42-F65 HydrophobicContact CG1-CD1 4.23Å; V42-F65 HydrophobicContact CG1-CD2 3.94Å; V42-F65 HydrophobicContact CG1-CE1 4.49Å; V42-F65 HydrophobicContact CG1-CE2 4.23Å; V42-F65 HydrophobicContact CG1-CG 3.94Å; V42-F65 HydrophobicContact CG2-CZ 4.45Å
43S97.8Very high97.7Very high54 Ų5475.4 Ų75.438%0.37837%0.368SS..  trans-64.5161.5172.771.10000111.3R46 R47S43-R46 PolarHBondContact O-N 2.79Å; S43-R46 WeakPolarHBondContact OG-CB 3.45Å; S43-R46 PolarHBondContact OG-N 2.65Å; S43-R47 WeakPolarHBondContact O-CB 3.34Å; S43-R47 PolarHBondContact O-N 3.12Å
44R97.8Very high97.6Very high192 Ų19273.1 Ų73.173%0.72536%0.357SS*.Hα-helixtrans-56.9-53.7178-173.1175.2-176.9-177.1-1.1113.1R46 R47 C48R44-R46 VanDerWaalsContact C-N 3.32Å; R44-R46 PolarHBondContact O-N 3.37Å; R44-R47 WeakPolarHBondContact O-CB 3.47Å; R44-R47 PolarHBondContact O-N 3.38Å; R44-R47 VanDerWaalsContact O-N 3.15Å; R44-C48 PolarHBondContact O-N 3.14Å; R44-C48 VanDerWaalsContact O-N 3.14Å; R44-C48 PolarHBondContact O-SG 3.3Å
45P97.7Very high97.6Very high82 Ų8273.3 Ų73.353%0.53237%0.365SS..Hα-helixtrans-60.1-43.3-179.522.3-33.1000111.9R47 C48 E49P45-R47 VanDerWaalsContact C-N 3.27Å; P45-R47 PolarHBondContact O-N 3.47Å; P45-C48 WeakPolarHBondContact O-CB 3.35Å; P45-C48 PolarHBondContact O-N 3.15Å; P45-C48 VanDerWaalsContact O-N 3.15Å; P45-E49 PolarHBondContact O-N 3.19Å; P45-E49 VanDerWaalsContact O-N 3.12Å
46R97.8Very high97.5Very high44 Ų4473.8 Ų73.817%0.16637%0.368CS..Hα-helixtrans-63.8-34178.9-171.552.7171.4175.9-1.9112.8E35 V42 S43 R44 E49 L50E35-R46 IonicContact OE1-CZ 3.66Å; E35-R46 IonicContact OE1-NE 2.65Å; E35-R46 IonicContact OE1-NH2 2.79Å; E35-R46 PolarHBondContact OE1-NH2 3.34Å; E35-R46 IonicContact OE2-CZ 3.94Å; E35-R46 VanDerWaalsContact OE2-CZ 3.24Å; E35-R46 IonicContact OE2-NE 3.61Å; E35-R46 PolarHBondContact OE2-NE 2.92Å; E35-R46 IonicContact OE2-NH2 2.67Å; E35-R46 PolarHBondContact OE2-NH2 2.91Å; V42-R46 HydrophobicContact CG2-CB 3.89Å; V42-R46 HydrophobicContact CG2-CG 3.89Å; S43-R46 PolarHBondContact O-N 2.79Å; S43-R46 WeakPolarHBondContact OG-CB 3.45Å; S43-R46 PolarHBondContact OG-N 2.65Å; R44-R46 VanDerWaalsContact C-N 3.32Å; R44-R46 PolarHBondContact O-N 3.37Å; R46-E49 VanDerWaalsContact CD-OE2 3.31Å; R46-E49 WeakPolarHBondContact CD-OE2 3.47Å; R46-E49 IonicContact CZ-OE2 3.37Å; R46-E49 IonicContact NE-OE2 2.9Å; R46-E49 IonicContact NH1-OE2 2.92Å; R46-E49 PolarHBondContact NH1-OE2 2.87Å; R46-E49 PolarHBondContact O-N 3.37Å; R46-L50 HydrophobicContact CG-CD1 4.28Å; R46-L50 WeakPolarHBondContact O-CG 3.31Å; R46-L50 PolarHBondContact O-N 3.07Å
47R98.3Very high97.5Very high55 Ų5577 Ų7721%0.20839%0.389CS..Hα-helixtrans-65.6-41.7175.6-169.7-172.9-52.7163.48.5111.9V42 S43 R44 P45 E49 L50 A51 E58 I61V42-R47 HydrophobicContact CG1-CB 4.32Å; V42-R47 HydrophobicContact CG1-CG 4.42Å; V42-R47 HydrophobicContact CG2-CB 4.03Å; V42-R47 PolarHBondContact O-NH2 3.44Å; S43-R47 WeakPolarHBondContact O-CB 3.34Å; S43-R47 PolarHBondContact O-N 3.12Å; R44-R47 WeakPolarHBondContact O-CB 3.47Å; R44-R47 PolarHBondContact O-N 3.38Å; R44-R47 VanDerWaalsContact O-N 3.15Å; P45-R47 VanDerWaalsContact C-N 3.27Å; P45-R47 PolarHBondContact O-N 3.47Å; R47-E49 VanDerWaalsContact C-N 3.35Å; R47-L50 PolarHBondContact O-N 3.19Å; R47-A51 VanDerWaalsContact O-CB 3.29Å; R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 3.15Å; R47-E58 WeakPolarHBondContact CD-O 3.37Å; R47-E58 HydrophobicContact CG-CB 4.14Å; R47-E58 HydrophobicContact CG-CG 4.22Å; R47-I61 HydrophobicContact CG-CB 4.05Å; R47-I61 HydrophobicContact CG-CG2 3.91Å
48C98.3Very high97.5Very high49 Ų4972.5 Ų72.533%0.33137%0.374SS..Hα-helixtrans-61.6-44.3176.2-59.40000110.9R44 P45 L50 A51 A52 E58R44-C48 PolarHBondContact O-N 3.14Å; R44-C48 VanDerWaalsContact O-N 3.14Å; R44-C48 PolarHBondContact O-SG 3.3Å; P45-C48 WeakPolarHBondContact O-CB 3.35Å; P45-C48 PolarHBondContact O-N 3.15Å; P45-C48 VanDerWaalsContact O-N 3.15Å; C48-L50 PolarHBondContact O-N 2.96Å; C48-A51 PolarHBondContact O-N 3.5Å; C48-A52 PolarHBondContact O-N 3.48Å; C48-E58 VanDerWaalsContact SG-CD 3.55Å; C48-E58 PolarHBondContact SG-OE1 3.36Å
49E98.1Very high97.5Very high102 Ų10270 Ų7048%0.47738%0.375SS..Hα-helixtrans-61.1-43.9176.9-68.3167.6-166.100112.5P45 R46 R47 A52 A53P45-E49 PolarHBondContact O-N 3.19Å; P45-E49 VanDerWaalsContact O-N 3.12Å; R46-E49 VanDerWaalsContact CD-OE2 3.31Å; R46-E49 WeakPolarHBondContact CD-OE2 3.47Å; R46-E49 IonicContact CZ-OE2 3.37Å; R46-E49 IonicContact NE-OE2 2.9Å; R46-E49 IonicContact NH1-OE2 2.92Å; R46-E49 PolarHBondContact NH1-OE2 2.87Å; R46-E49 PolarHBondContact O-N 3.37Å; R47-E49 VanDerWaalsContact C-N 3.35Å; E49-A52 PolarHBondContact O-N 3.37Å; E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.31Å
50L97.9Very high97.6Very high3 Ų368 Ų682%0.01637%0.368CS..Hα-helixtrans-69.3-36.8178.2-68.9169.5000112.7E35 V42 R46 R47 C48 A53 L54 I61 F65E35-L50 HydrophobicContact CB-CD1 4.24Å; E35-L50 HydrophobicContact CG-CD1 3.9Å; E35-L50 HydrophobicContact CG-CD2 3.64Å; E35-L50 HydrophobicContact CG-CG 4.35Å; V42-L50 HydrophobicContact CG2-CD1 4.08Å; R46-L50 HydrophobicContact CG-CD1 4.28Å; R46-L50 WeakPolarHBondContact O-CG 3.31Å; R46-L50 PolarHBondContact O-N 3.07Å; R47-L50 PolarHBondContact O-N 3.19Å; C48-L50 PolarHBondContact O-N 2.96Å; L50-A53 PolarHBondContact O-N 3.19Å; L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.37Å; L50-I61 HydrophobicContact CB-CD1 4.43Å; L50-F65 HydrophobicContact CD1-CE2 4.37Å
51A98Very high97.6Very high13 Ų1365 Ų6511%0.10735%0.352CS..Hα-helixtrans-59.9-47.3175.400000111R47 C48 N55 L56 E58 I61R47-A51 VanDerWaalsContact O-CB 3.29Å; R47-A51 WeakPolarHBondContact O-CB 3.48Å; R47-A51 PolarHBondContact O-N 3.15Å; C48-A51 PolarHBondContact O-N 3.5Å; A51-N55 WeakPolarHBondContact O-CA 3.44Å; A51-N55 PolarHBondContact O-N 3.46Å; A51-L56 CarbonylContact C-O 3.57Å; A51-L56 WeakPolarHBondContact CA-O 3.39Å; A51-L56 WeakPolarHBondContact CB-O 3.33Å; A51-L56 PolarHBondContact O-N 3.5Å; A51-E58 HydrophobicContact CB-CG 3.84Å; A51-I61 HydrophobicContact CB-CG1 4.37Å
52A97.8Very high97.6Very high72 Ų7262.7 Ų62.760%0.59535%0.345SS*.Hα-helixtrans-64.8-46.8176.500000112.1C48 E49 L54C48-A52 PolarHBondContact O-N 3.48Å; E49-A52 PolarHBondContact O-N 3.37Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.07Å
53A97.3Very high97.6Very high70 Ų7065 Ų6558%0.57936%0.359SS*.Hα-helixtrans-66.3-31.4-177.700000113.6E49 L50E49-A53 WeakPolarHBondContact O-CB 3.43Å; E49-A53 PolarHBondContact O-N 3.31Å; L50-A53 PolarHBondContact O-N 3.19Å
54L96.9Very high97.6Very high14 Ų1463.8 Ų63.87%0.07335%0.346CS..Hα-helixtrans-102.7-1.6-175.4-61.6-179.7000113.8Q28 R31 L32 L50 A52 L56 I61Q28-L54 HydrophobicContact CG-CB 4.35Å; Q28-L54 HydrophobicContact CG-CD2 4.26Å; Q28-L54 PolarHBondContact NE2-O 3.06Å; R31-L54 HydrophobicContact CB-CD1 4.23Å; R31-L54 HydrophobicContact CB-CD2 3.8Å; R31-L54 HydrophobicContact CG-CD1 4.49Å; R31-L54 HydrophobicContact CG-CD2 4Å; L32-L54 HydrophobicContact CD1-CD1 4.33Å; L32-L54 HydrophobicContact CD2-CD1 3.85Å; L32-L54 HydrophobicContact CG-CD1 3.72Å; L50-L54 VanDerWaalsContact O-CB 3.27Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.37Å; A52-L54 VanDerWaalsContact C-N 3.32Å; A52-L54 PolarHBondContact O-N 3.07Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 HydrophobicContact CB-CB 4.49Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.13Å; L54-L56 PolarHBondContact O-N 3.28Å; L54-I61 HydrophobicContact CD1-CD1 4.34Å
55N97.4Very high97.6Very high146 Ų14655 Ų5578%0.78131%0.313SS*.THydrogen-bonded Turntrans51.744.2-171.4-65.9-65.5000112.4A51A51-N55 WeakPolarHBondContact O-CA 3.44Å; A51-N55 PolarHBondContact O-N 3.46Å
56L96.4Very high97.6Very high21 Ų2155.9 Ų55.911%0.1131%0.311CS..  trans-120.8144.6179.2-68.2178000110.5F24 Q28 A51 L54 I61F24-L56 HydrophobicContact CD1-CD1 3.84Å; F24-L56 HydrophobicContact CD1-CD2 4.03Å; F24-L56 HydrophobicContact CE1-CD1 3.87Å; F24-L56 HydrophobicContact CE1-CD2 3.9Å; Q28-L56 HydrophobicContact CG-CD1 4.46Å; A51-L56 CarbonylContact C-O 3.57Å; A51-L56 WeakPolarHBondContact CA-O 3.39Å; A51-L56 WeakPolarHBondContact CB-O 3.33Å; A51-L56 PolarHBondContact O-N 3.5Å; L54-L56 VanDerWaalsContact C-N 3.26Å; L54-L56 HydrophobicContact CB-CB 4.49Å; L54-L56 HydrophobicContact CB-CD1 4.11Å; L54-L56 HydrophobicContact CB-CG 4.13Å; L54-L56 PolarHBondContact O-N 3.28Å; L56-I61 HydrophobicContact CB-CD1 3.93Å; L56-I61 HydrophobicContact CB-CG1 4.39Å; L56-I61 HydrophobicContact CD1-CD1 4.02Å
57P97.5Very high97.6Very high71 Ų7158.6 Ų58.646%0.46133%0.328SS..  trans-59.4143.5172.9-18.126.8000111.8T59 T60 I61P57-T59 PolarHBondContact O-N 2.9Å; P57-T59 VanDerWaalsContact O-N 3.12Å; P57-T60 WeakPolarHBondContact CD-OG1 3.43Å; P57-T60 WeakPolarHBondContact CG-OG1 3.49Å; P57-T60 WeakPolarHBondContact O-CA 3.43Å; P57-T60 VanDerWaalsContact O-CB 3.26Å; P57-T60 WeakPolarHBondContact O-CB 3.32Å; P57-T60 PolarHBondContact O-N 2.92Å; P57-I61 PolarHBondContact O-N 3.05Å; P57-I61 VanDerWaalsContact O-N 3.07Å
58E97.8Very high97.6Very high77 Ų7757.3 Ų57.336%0.3632%0.323SS..Hα-helixtrans-54.3-34.6173.7-73.4-172.9-139.300112.7R47 C48 A51 T60 I61 K62R47-E58 WeakPolarHBondContact CD-O 3.37Å; R47-E58 HydrophobicContact CG-CB 4.14Å; R47-E58 HydrophobicContact CG-CG 4.22Å; C48-E58 VanDerWaalsContact SG-CD 3.55Å; C48-E58 PolarHBondContact SG-OE1 3.36Å; A51-E58 HydrophobicContact CB-CG 3.84Å; E58-T60 VanDerWaalsContact C-N 3.32Å; E58-I61 PolarHBondContact O-N 3.36Å; E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 PolarHBondContact O-N 3.45Å
59T97.2Very high97.6Very high88 Ų8858.4 Ų58.454%0.5432%0.321SS..Hα-helixtrans-62.9-40.4176.454.50000111.5P57 K62 V63P57-T59 PolarHBondContact O-N 2.9Å; P57-T59 VanDerWaalsContact O-N 3.12Å; T59-K62 WeakPolarHBondContact O-CB 3.42Å; T59-K62 PolarHBondContact O-N 2.79Å; T59-V63 WeakPolarHBondContact O-CG2 3.47Å; T59-V63 PolarHBondContact O-N 3.24Å
60T96.9Very high97.6Very high39 Ų3958 Ų5824%0.23932%0.32CS..Hα-helixtrans-65.8-43.5176.3-57.60000111.2F24 P57 E58 K62 V63 W64F24-T60 HydrophobicContact CE1-CG2 3.4Å; F24-T60 VanDerWaalsContact CE1-CG2 3.4Å; F24-T60 HydrophobicContact CZ-CG2 3.3Å; P57-T60 WeakPolarHBondContact CD-OG1 3.43Å; P57-T60 WeakPolarHBondContact CG-OG1 3.49Å; P57-T60 WeakPolarHBondContact O-CA 3.43Å; P57-T60 VanDerWaalsContact O-CB 3.26Å; P57-T60 WeakPolarHBondContact O-CB 3.32Å; P57-T60 PolarHBondContact O-N 2.92Å; E58-T60 VanDerWaalsContact C-N 3.32Å; T60-K62 VanDerWaalsContact C-N 3.34Å; T60-K62 PolarHBondContact O-N 2.91Å; T60-V63 PolarHBondContact O-N 3.21Å; T60-W64 WeakPolarHBondContact O-CB 3.4Å; T60-W64 PolarHBondContact O-N 3.37Å
61I97.7Very high97.4Very high0 Ų063.2 Ų63.20%034%0.342CS..Hα-helixtrans-59.4-46.3172.8-55-67.9000110.2L32 R47 L50 A51 L54 L56 P57 E58 V63 W64 F65L32-I61 HydrophobicContact CD2-CD1 3.74Å; L32-I61 HydrophobicContact CD2-CG2 4.28Å; R47-I61 HydrophobicContact CG-CB 4.05Å; R47-I61 HydrophobicContact CG-CG2 3.91Å; L50-I61 HydrophobicContact CB-CD1 4.43Å; A51-I61 HydrophobicContact CB-CG1 4.37Å; L54-I61 HydrophobicContact CD1-CD1 4.34Å; L56-I61 HydrophobicContact CB-CD1 3.93Å; L56-I61 HydrophobicContact CB-CG1 4.39Å; L56-I61 HydrophobicContact CD1-CD1 4.02Å; P57-I61 PolarHBondContact O-N 3.05Å; P57-I61 VanDerWaalsContact O-N 3.07Å; E58-I61 PolarHBondContact O-N 3.36Å; I61-V63 PolarHBondContact O-N 2.89Å; I61-W64 PolarHBondContact O-N 3.27Å; I61-F65 HydrophobicContact CG2-CD2 3.94Å; I61-F65 HydrophobicContact CG2-CE2 4Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.05Å
62K97.4Very high97.3Very high106 Ų10663.8 Ų63.846%0.46134%0.344SS..Hα-helixtrans-58.1-47.6178-174.1-176.772.21760111.9E58 T59 T60 F65 Q66E58-K62 WeakPolarHBondContact O-CB 3.36Å; E58-K62 PolarHBondContact O-N 3.45Å; T59-K62 WeakPolarHBondContact O-CB 3.42Å; T59-K62 PolarHBondContact O-N 2.79Å; T60-K62 VanDerWaalsContact C-N 3.34Å; T60-K62 PolarHBondContact O-N 2.91Å; K62-F65 PolarHBondContact O-N 3.45Å; K62-Q66 PolarHBondContact O-N 2.99Å
63V97.6Very high97.1Very high67 Ų6765.8 Ų65.841%0.40634%0.339SS..Hα-helixtrans-65.3-39.9178.4170.90000110.9T59 T60 I61 Q66 N67T59-V63 WeakPolarHBondContact O-CG2 3.47Å; T59-V63 PolarHBondContact O-N 3.24Å; T60-V63 PolarHBondContact O-N 3.21Å; I61-V63 PolarHBondContact O-N 2.89Å; V63-Q66 PolarHBondContact O-N 3.24Å; V63-N67 WeakPolarHBondContact O-CB 3.33Å; V63-N67 PolarHBondContact O-N 3.44Å; V63-N67 PolarHBondContact O-ND2 3.31Å
64W97.7Very high96.8Very high29 Ų2971.2 Ų71.211%0.1134%0.344CS..Hα-helixtrans-60.3-48.5176.3-17298.5000111.6F24 L32 E33 F36 T60 I61 Q66 N67 R68F24-W64 AromaticContact CD2-CD1 3.7Å; F24-W64 AromaticContact CE2-CD1 3.51Å; F24-W64 HydrophobicContact CE2-CG 4.43Å; L32-W64 HydrophobicContact CB-CD2 3.98Å; L32-W64 HydrophobicContact CB-CE3 3.89Å; L32-W64 HydrophobicContact CB-CH2 3.56Å; L32-W64 HydrophobicContact CB-CZ2 3.63Å; L32-W64 HydrophobicContact CB-CZ3 3.69Å; L32-W64 HydrophobicContact CD1-CD2 3.8Å; L32-W64 HydrophobicContact CD1-CE3 4.38Å; L32-W64 HydrophobicContact CD1-CG 3.84Å; L32-W64 HydrophobicContact CD1-CZ2 4.45Å; L32-W64 HydrophobicContact CD2-CE3 4.33Å; L32-W64 HydrophobicContact CG-CD2 4.32Å; L32-W64 HydrophobicContact CG-CE3 4.44Å; E33-W64 HydrophobicContact CG-CH2 3.93Å; E33-W64 HydrophobicContact CG-CZ2 3.97Å; F36-W64 HydrophobicContact CB-CH2 4.38Å; F36-W64 HydrophobicContact CB-CZ3 4.19Å; T60-W64 WeakPolarHBondContact O-CB 3.4Å; T60-W64 PolarHBondContact O-N 3.37Å; I61-W64 PolarHBondContact O-N 3.27Å; W64-Q66 VanDerWaalsContact C-N 3.3Å; W64-Q66 PolarHBondContact O-N 2.87Å; W64-N67 PolarHBondContact O-N 3.35Å; W64-R68 HydrophobicContact CD2-CB 4.47Å; W64-R68 HydrophobicContact CE3-CB 4.01Å; W64-R68 HydrophobicContact CH2-CB 4.04Å; W64-R68 HydrophobicContact CH2-CG 3.78Å; W64-R68 HydrophobicContact CZ2-CG 4.48Å; W64-R68 HydrophobicContact CZ3-CB 3.77Å; W64-R68 HydrophobicContact CZ3-CG 3.83Å; W64-R68 WeakPolarHBondContact O-CB 3.46Å; W64-R68 PolarHBondContact O-N 2.88Å
65F98.4Very high96.5Very high6 Ų674.6 Ų74.63%0.02636%0.36CS..Hα-helixtrans-63.1-35.5177.3-90.4-100000112.3L32 E35 F36 V42 L50 I61 K62 R69L32-F65 HydrophobicContact CD2-CE2 3.98Å; E35-F65 HydrophobicContact CB-CZ 4.1Å; F36-F65 HydrophobicContact CB-CE1 4.33Å; F36-F65 HydrophobicContact CD2-CD1 4Å; F36-F65 HydrophobicContact CD2-CE1 4.07Å; V42-F65 HydrophobicContact CB-CD1 4.11Å; V42-F65 HydrophobicContact CB-CD2 4.31Å; V42-F65 HydrophobicContact CB-CE1 3.94Å; V42-F65 HydrophobicContact CB-CE2 4.16Å; V42-F65 HydrophobicContact CB-CG 4.29Å; V42-F65 HydrophobicContact CB-CZ 3.97Å; V42-F65 HydrophobicContact CG1-CB 4.44Å; V42-F65 HydrophobicContact CG1-CD1 4.23Å; V42-F65 HydrophobicContact CG1-CD2 3.94Å; V42-F65 HydrophobicContact CG1-CE1 4.49Å; V42-F65 HydrophobicContact CG1-CE2 4.23Å; V42-F65 HydrophobicContact CG1-CG 3.94Å; V42-F65 HydrophobicContact CG2-CZ 4.45Å; L50-F65 HydrophobicContact CD1-CE2 4.37Å; I61-F65 HydrophobicContact CG2-CD2 3.94Å; I61-F65 HydrophobicContact CG2-CE2 4Å; I61-F65 WeakPolarHBondContact O-CD2 3.34Å; I61-F65 PolarHBondContact O-N 3.05Å; K62-F65 PolarHBondContact O-N 3.45Å; F65-R69 WeakPolarHBondContact O-CG 3.41Å; F65-R69 PolarHBondContact O-N 3.33Å
66Q98.2Very high96Very high102 Ų10274.6 Ų74.648%0.47735%0.349SS..Hα-helixtrans-63.7-49.5173.2-172.1172.419.700111.5K62 V63 W64 R68 R69 M70K62-Q66 PolarHBondContact O-N 2.99Å; V63-Q66 PolarHBondContact O-N 3.24Å; W64-Q66 VanDerWaalsContact C-N 3.3Å; W64-Q66 PolarHBondContact O-N 2.87Å; Q66-R68 VanDerWaalsContact C-N 3.33Å; Q66-R68 PolarHBondContact O-N 2.85Å; Q66-R69 PolarHBondContact O-N 3.36Å; Q66-M70 WeakPolarHBondContact O-CG 3.11Å; Q66-M70 PolarHBondContact O-N 2.65Å; Q66-M70 VanDerWaalsContact O-N 3.08Å
67N97.6Very high95.3Very high100 Ų10076.6 Ų76.654%0.53536%0.359SS..Hα-helixtrans-62.3-41.1177.7-72.2-21000111.9V63 W64 M70 K71V63-N67 WeakPolarHBondContact O-CB 3.33Å; V63-N67 PolarHBondContact O-N 3.44Å; V63-N67 PolarHBondContact O-ND2 3.31Å; W64-N67 PolarHBondContact O-N 3.35Å; N67-M70 PolarHBondContact O-N 2.92Å; N67-K71 PolarHBondContact O-N 3.47Å
68R97.9Very high94Very high28 Ų2876.7 Ų76.711%0.10637%0.366CS..Hα-helixtrans-63.7-41.7178.8-178.661.3-17183.80.4111.9F36 W64 Q66 K71 D72F36-R68 HydrophobicContact CD1-CG 3.83Å; F36-R68 HydrophobicContact CD2-CB 4.25Å; F36-R68 HydrophobicContact CD2-CG 3.56Å; F36-R68 HydrophobicContact CE1-CG 3.87Å; F36-R68 VanDerWaalsContact CE1-CZ 3.43Å; F36-R68 HydrophobicContact CE2-CB 4.18Å; F36-R68 HydrophobicContact CE2-CG 3.6Å; F36-R68 HydrophobicContact CG-CG 3.68Å; F36-R68 HydrophobicContact CZ-CG 3.74Å; W64-R68 HydrophobicContact CD2-CB 4.47Å; W64-R68 HydrophobicContact CE3-CB 4.01Å; W64-R68 HydrophobicContact CH2-CB 4.04Å; W64-R68 HydrophobicContact CH2-CG 3.78Å; W64-R68 HydrophobicContact CZ2-CG 4.48Å; W64-R68 HydrophobicContact CZ3-CB 3.77Å; W64-R68 HydrophobicContact CZ3-CG 3.83Å; W64-R68 WeakPolarHBondContact O-CB 3.46Å; W64-R68 PolarHBondContact O-N 2.88Å; Q66-R68 VanDerWaalsContact C-N 3.33Å; Q66-R68 PolarHBondContact O-N 2.85Å; R68-K71 PolarHBondContact O-N 3.36Å; R68-D72 IonicContact CZ-OD1 3.66Å; R68-D72 VanDerWaalsContact NH1-CB 3.26Å; R68-D72 IonicContact NH1-OD1 3.71Å; R68-D72 PolarHBondContact NH1-OD1 3.26Å; R68-D72 IonicContact NH2-OD1 3.97Å; R68-D72 PolarHBondContact NH2-OD1 3.3Å; R68-D72 WeakPolarHBondContact O-CB 2.95Å; R68-D72 PolarHBondContact O-N 2.84Å
69R97.6Very high92.3Very high73 Ų7381 Ų8128%0.27539%0.388SS..Hα-helixtrans-63.3-40.1173.1-74.6-173.5-66.4132.8-1.8112.4F36 N40 Y41 F65 Q66 D72 K73F36-R69 HydrophobicContact CE2-CG 3.76Å; F36-R69 HydrophobicContact CZ-CG 4.25Å; N40-R69 WeakPolarHBondContact O-CD 2.99Å; Y41-R69 PolarHBondContact OH-NH1 3.48Å; Y41-R69 VanDerWaalsContact OH-NH1 3.07Å; F65-R69 WeakPolarHBondContact O-CG 3.41Å; F65-R69 PolarHBondContact O-N 3.33Å; Q66-R69 PolarHBondContact O-N 3.36Å; R69-D72 WeakPolarHBondContact O-CB 3.4Å; R69-D72 PolarHBondContact O-N 3.04Å; R69-K73 WeakPolarHBondContact O-CB 3.37Å; R69-K73 PolarHBondContact O-N 3.27Å
70M97.4Very high90.6Very high92 Ų9280.7 Ų80.745%0.45339%0.39SS..Hα-helixtrans-64.2-42.8175.6-67.6-52.7-62.900111.8Q66 N67 D72 K73 R74Q66-M70 WeakPolarHBondContact O-CG 3.11Å; Q66-M70 PolarHBondContact O-N 2.65Å; Q66-M70 VanDerWaalsContact O-N 3.08Å; N67-M70 PolarHBondContact O-N 2.92Å; M70-D72 VanDerWaalsContact C-N 3.32Å; M70-D72 PolarHBondContact O-N 2.74Å; M70-K73 PolarHBondContact O-N 3.36Å; M70-R74 WeakPolarHBondContact O-CB 3.49Å; M70-R74 VanDerWaalsContact O-CG 3.31Å; M70-R74 WeakPolarHBondContact O-CG 3.23Å; M70-R74 PolarHBondContact O-N 3.09Å
71K95.3Very high88.1Confident114 Ų11487 Ų8750%0.49641%0.409SS..Hα-helixtrans-59.5-44.5172.7-175.8-179.1177.1-175.80111.1N67 R68 R74 Q75N67-K71 PolarHBondContact O-N 3.47Å; R68-K71 PolarHBondContact O-N 3.36Å; K71-R74 CarbonylContact O-C 3.59Å; K71-R74 WeakPolarHBondContact O-CB 3.45Å; K71-R74 PolarHBondContact O-N 3.38Å; K71-Q75 HydrophobicContact CG-CG 4.43Å; K71-Q75 WeakPolarHBondContact O-CB 3.28Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.49Å
72D95.1Very high86Confident25 Ų2592.7 Ų92.713%0.13445%0.447CS..Hα-helixtrans-61-46.9178.7-153.669.3000112.6F36 R68 R69 M70 R74 Q75 R76F36-D72 HydrophobicContact CZ-CB 4.21Å; R68-D72 IonicContact CZ-OD1 3.66Å; R68-D72 VanDerWaalsContact NH1-CB 3.26Å; R68-D72 IonicContact NH1-OD1 3.71Å; R68-D72 PolarHBondContact NH1-OD1 3.26Å; R68-D72 IonicContact NH2-OD1 3.97Å; R68-D72 PolarHBondContact NH2-OD1 3.3Å; R68-D72 WeakPolarHBondContact O-CB 2.95Å; R68-D72 PolarHBondContact O-N 2.84Å; R69-D72 WeakPolarHBondContact O-CB 3.4Å; R69-D72 PolarHBondContact O-N 3.04Å; M70-D72 VanDerWaalsContact C-N 3.32Å; M70-D72 PolarHBondContact O-N 2.74Å; D72-R74 VanDerWaalsContact C-N 3.34Å; D72-R74 PolarHBondContact O-N 2.74Å; D72-Q75 PolarHBondContact O-N 2.9Å; D72-R76 WeakPolarHBondContact O-CG 3.48Å; D72-R76 PolarHBondContact O-N 2.93Å; D72-R76 IonicContact OD2-CZ 2.85Å; D72-R76 IonicContact OD2-NE 3.26Å; D72-R76 PolarHBondContact OD2-NE 2.94Å; D72-R76 IonicContact OD2-NH1 4Å; D72-R76 PolarHBondContact OD2-NH1 2.97Å; D72-R76 IonicContact OD2-NH2 3.36Å; D72-R76 PolarHBondContact OD2-NH2 3.22Å
73K94.4Very high84Confident114 Ų11494.8 Ų94.850%0.49646%0.458SS..Hα-helixtrans-59.1-46.6173.9-177.2178.3178.3179.40110.6R69 M70 Q75 R76 L77R69-K73 WeakPolarHBondContact O-CB 3.37Å; R69-K73 PolarHBondContact O-N 3.27Å; M70-K73 PolarHBondContact O-N 3.36Å; K73-Q75 VanDerWaalsContact C-N 3.33Å; K73-Q75 PolarHBondContact O-N 3.4Å; K73-R76 PolarHBondContact O-N 3.45Å; K73-L77 HydrophobicContact CD-CD1 4.42Å; K73-L77 HydrophobicContact CG-CD1 3.83Å; K73-L77 HydrophobicContact CG-CG 4.3Å; K73-L77 VanDerWaalsContact O-CB 3.28Å; K73-L77 WeakPolarHBondContact O-CB 3.11Å; K73-L77 VanDerWaalsContact O-CG 3.23Å; K73-L77 WeakPolarHBondContact O-CG 3.31Å; K73-L77 PolarHBondContact O-N 3.26Å
74R90.3Very high82Confident183 Ų18393.2 Ų93.269%0.69145%0.449SS*.Hα-helixtrans-61.8-38.9176.9-75176.4-178.6-175.60.1112.3M70 K71 D72 A78M70-R74 WeakPolarHBondContact O-CB 3.49Å; M70-R74 VanDerWaalsContact O-CG 3.31Å; M70-R74 WeakPolarHBondContact O-CG 3.23Å; M70-R74 PolarHBondContact O-N 3.09Å; K71-R74 CarbonylContact O-C 3.59Å; K71-R74 WeakPolarHBondContact O-CB 3.45Å; K71-R74 PolarHBondContact O-N 3.38Å; D72-R74 VanDerWaalsContact C-N 3.34Å; D72-R74 PolarHBondContact O-N 2.74Å; R74-A78 WeakPolarHBondContact O-CB 3.41Å; R74-A78 PolarHBondContact O-N 3.2Å
75Q90.1Very high80.1Confident85 Ų8597 Ų9740%0.39749%0.487SS..Hα-helixtrans-67.9-44.5177.9-74.7174.1-41.200111.5K71 D72 K73 L77 A78 M79K71-Q75 HydrophobicContact CG-CG 4.43Å; K71-Q75 WeakPolarHBondContact O-CB 3.28Å; K71-Q75 VanDerWaalsContact O-CG 3.32Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 3.49Å; D72-Q75 PolarHBondContact O-N 2.9Å; K73-Q75 VanDerWaalsContact C-N 3.33Å; K73-Q75 PolarHBondContact O-N 3.4Å; Q75-L77 PolarHBondContact O-N 2.82Å; Q75-A78 PolarHBondContact O-N 2.91Å; Q75-M79 PolarHBondContact O-N 3.44Å; Q75-M79 VanDerWaalsContact O-N 3.09Å
76R86.9Confident78.4Confident146 Ų146100.2 Ų100.255%0.55150%0.504SS*.Hα-helixtrans-62.7-42.5175-72.6-174.8-71.2-145.5-7.8112.6D72 K73 M79 S80D72-R76 WeakPolarHBondContact O-CG 3.48Å; D72-R76 PolarHBondContact O-N 2.93Å; D72-R76 IonicContact OD2-CZ 2.85Å; D72-R76 IonicContact OD2-NE 3.26Å; D72-R76 PolarHBondContact OD2-NE 2.94Å; D72-R76 IonicContact OD2-NH1 4Å; D72-R76 PolarHBondContact OD2-NH1 2.97Å; D72-R76 IonicContact OD2-NH2 3.36Å; D72-R76 PolarHBondContact OD2-NH2 3.22Å; K73-R76 PolarHBondContact O-N 3.45Å; R76-M79 PolarHBondContact O-N 2.87Å; R76-S80 PolarHBondContact O-N 3.07Å
77L81.1Confident76.9Confident64 Ų64100.3 Ų100.334%0.33551%0.513SS..Hα-helixtrans-71.9-37.4177.2-70-178.5000111.8K73 Q75 M79 S80 W81K73-L77 HydrophobicContact CD-CD1 4.42Å; K73-L77 HydrophobicContact CG-CD1 3.83Å; K73-L77 HydrophobicContact CG-CG 4.3Å; K73-L77 VanDerWaalsContact O-CB 3.28Å; K73-L77 WeakPolarHBondContact O-CB 3.11Å; K73-L77 VanDerWaalsContact O-CG 3.23Å; K73-L77 WeakPolarHBondContact O-CG 3.31Å; K73-L77 PolarHBondContact O-N 3.26Å; Q75-L77 PolarHBondContact O-N 2.82Å; L77-M79 PolarHBondContact O-N 3.08Å; L77-S80 CarbonylContact O-C 3.56Å; L77-S80 PolarHBondContact O-N 3.16Å; L77-S80 PolarHBondContact O-OG 3.48Å; L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.16Å
78A70.8Confident75.8Confident73 Ų7399 Ų9960%0.60351%0.512SS*.Hα-helixtrans-63.1-27.7173.700000112R74 Q75R74-A78 WeakPolarHBondContact O-CB 3.41Å; R74-A78 PolarHBondContact O-N 3.2Å; Q75-A78 PolarHBondContact O-N 2.91Å
79M61.6Low74.6Confident166 Ų166102.9 Ų102.982%0.81853%0.53SS*.Hα-helixtrans-76.2-24.6169.7-100.292.79500114Q75 R76 L77Q75-M79 PolarHBondContact O-N 3.44Å; Q75-M79 VanDerWaalsContact O-N 3.09Å; R76-M79 PolarHBondContact O-N 2.87Å; L77-M79 PolarHBondContact O-N 3.08Å
80S61.9Low73.5Confident83 Ų83104.6 Ų104.658%0.5854%0.537SS*.Hα-helixtrans-110.5-14.8-172.478.40000115R76 L77R76-S80 PolarHBondContact O-N 3.07Å; L77-S80 CarbonylContact O-C 3.56Å; L77-S80 PolarHBondContact O-N 3.16Å; L77-S80 PolarHBondContact O-OG 3.48Å
81W44.3Very low72.6Confident170 Ų170104 Ų10464%0.64454%0.539SS*.SBendtrans-81.1139.1174.7-85.278.8000108.7L77 H83L77-W81 WeakPolarHBondContact O-CB 3.46Å; L77-W81 PolarHBondContact O-N 3.16Å; W81-H83 PolarHBondContact O-N 3.27Å
82P53.8Low71.9Confident121 Ų121105.5 Ų105.579%0.78654%0.543SS*.  trans-71.770171.231.7-32.9000108.3
83H55.3Low71.2Confident149 Ų149108.8 Ų108.869%0.6956%0.558SS**  trans-81.4120.3149.7-118.1-49.8000104.6W81 A85W81-H83 PolarHBondContact O-N 3.27Å; H83-A85 PolarHBondContact O-N 3.31Å
84P55.9Low70.4Confident35 Ų35107.7 Ų107.723%0.22756%0.556CS.*  trans-57.8117.6162.628-31.2000104.6D86 F89P84-D86 PolarHBondContact O-N 2.8Å; P84-F89 HydrophobicContact CB-CB 4.03Å; P84-F89 HydrophobicContact CB-CD1 3.15Å; P84-F89 HydrophobicContact CB-CE1 3.86Å; P84-F89 HydrophobicContact CB-CG 3.89Å; P84-F89 HydrophobicContact CG-CD1 3.78Å; P84-F89 HydrophobicContact CG-CE1 4.48Å
85A57.4Low69.9Low109 Ų109103.1 Ų103.190%0.90155%0.549SS*.SBendtrans-65.713.1-171.600000113.3H83H83-A85 PolarHBondContact O-N 3.31Å
86D62.5Low69.1Low73 Ų73103.8 Ų103.839%0.3955%0.551SS.*  trans-131.2114.1178.7-172.4-0.2000109.1P84 S88 F89 Y90P84-D86 PolarHBondContact O-N 2.8Å; D86-S88 VanDerWaalsContact CG-CB 3.47Å; D86-S88 PolarHBondContact O-N 3.06Å; D86-S88 WeakPolarHBondContact OD1-CA 3.39Å; D86-S88 WeakPolarHBondContact OD1-CB 3.33Å; D86-S88 PolarHBondContact OD1-N 3.33Å; D86-S88 PolarHBondContact OD1-OG 3.17Å; D86-S88 WeakPolarHBondContact OD2-CB 3.45Å; D86-S88 PolarHBondContact OD2-OG 2.71Å; D86-F89 HydrophobicContact CB-CB 4.05Å; D86-F89 PolarHBondContact O-N 2.73Å; D86-Y90 PolarHBondContact O-N 3.49Å
87P67.5Low68.6Low103 Ų10398.2 Ų98.267%0.66954%0.536SS*.Hα-helixtrans-47.8-28.7166.5-27.435.7000113.1T91P87-T91 WeakPolarHBondContact O-CB 3.34Å; P87-T91 PolarHBondContact O-N 2.79Å; P87-T91 PolarHBondContact O-OG1 3.13Å
88S74.5Confident68.2Low74 Ų7498.4 Ų98.452%0.51755%0.547SS..Hα-helixtrans-71.1-39.8176.6-340000112.4D86 T91 Y92D86-S88 VanDerWaalsContact CG-CB 3.47Å; D86-S88 PolarHBondContact O-N 3.06Å; D86-S88 WeakPolarHBondContact OD1-CA 3.39Å; D86-S88 WeakPolarHBondContact OD1-CB 3.33Å; D86-S88 PolarHBondContact OD1-N 3.33Å; D86-S88 PolarHBondContact OD1-OG 3.17Å; D86-S88 WeakPolarHBondContact OD2-CB 3.45Å; D86-S88 PolarHBondContact OD2-OG 2.71Å; S88-T91 PolarHBondContact O-N 3.04Å; S88-Y92 WeakPolarHBondContact O-CB 3.32Å; S88-Y92 PolarHBondContact O-N 2.97Å
89F73.1Confident68.3Low109 Ų10998.9 Ų98.948%0.47855%0.551SS.*Hα-helixtrans-68.9-38.9175.9-177.5-84000111.7P84 D86 T91 Y92 M93P84-F89 HydrophobicContact CB-CB 4.03Å; P84-F89 HydrophobicContact CB-CD1 3.15Å; P84-F89 HydrophobicContact CB-CE1 3.86Å; P84-F89 HydrophobicContact CB-CG 3.89Å; P84-F89 HydrophobicContact CG-CD1 3.78Å; P84-F89 HydrophobicContact CG-CE1 4.48Å; D86-F89 HydrophobicContact CB-CB 4.05Å; D86-F89 PolarHBondContact O-N 2.73Å; F89-T91 VanDerWaalsContact C-N 3.32Å; F89-T91 PolarHBondContact O-N 3.21Å; F89-Y92 PolarHBondContact O-N 3.13Å; F89-M93 HydrophobicContact CE1-SD 4.21Å; F89-M93 VanDerWaalsContact O-CB 3.32Å; F89-M93 WeakPolarHBondContact O-CB 3.29Å; F89-M93 PolarHBondContact O-N 2.93Å
90Y74.8Confident69Low108 Ų10894.5 Ų94.542%0.42453%0.534SS..Hα-helixtrans-60-45172.4178.9-103.3000111.2D86 M93 M94D86-Y90 PolarHBondContact O-N 3.49Å; Y90-M93 HydrophobicContact CD2-CE 4.39Å; Y90-M93 PolarHBondContact O-N 3.31Å; Y90-M94 HydrophobicContact CE1-CE 3.7Å; Y90-M94 HydrophobicContact CE1-SD 4.41Å; Y90-M94 VanDerWaalsContact O-CB 3.29Å; Y90-M94 WeakPolarHBondContact O-CB 3.39Å; Y90-M94 PolarHBondContact O-N 3.47Å; Y90-M94 WeakPolarHBondContact OH-CE 3.39Å
91T76.9Confident69.1Low80 Ų8093.9 Ų93.949%0.49154%0.541SS..Hα-helixtrans-62.4-47.2176.4-57.60000110.8P87 S88 F89 M93 M94 T95P87-T91 WeakPolarHBondContact O-CB 3.34Å; P87-T91 PolarHBondContact O-N 2.79Å; P87-T91 PolarHBondContact O-OG1 3.13Å; S88-T91 PolarHBondContact O-N 3.04Å; F89-T91 VanDerWaalsContact C-N 3.32Å; F89-T91 PolarHBondContact O-N 3.21Å; T91-M93 PolarHBondContact O-N 2.92Å; T91-M94 PolarHBondContact O-N 3.01Å; T91-T95 WeakPolarHBondContact O-CB 3.35Å; T91-T95 PolarHBondContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.36Å
92Y82.5Confident70.1Confident146 Ų14689.7 Ų89.757%0.57354%0.537SS*.Hα-helixtrans-58-48177.1176.3-99.1000112S88 F89 M94 T95 H96S88-Y92 WeakPolarHBondContact O-CB 3.32Å; S88-Y92 PolarHBondContact O-N 2.97Å; F89-Y92 PolarHBondContact O-N 3.13Å; Y92-M94 VanDerWaalsContact C-N 3.34Å; Y92-M94 PolarHBondContact O-N 3.46Å; Y92-T95 PolarHBondContact O-N 3.12Å; Y92-H96 VanDerWaalsContact O-CB 3.27Å; Y92-H96 WeakPolarHBondContact O-CB 3.27Å; Y92-H96 PolarHBondContact O-N 3.45Å
93M79.4Confident70.2Confident93 Ų9387.9 Ų87.946%0.45852%0.521SS..Hα-helixtrans-64-39.3178-175.1174.45800111.7F89 Y90 T91 A97F89-M93 HydrophobicContact CE1-SD 4.21Å; F89-M93 VanDerWaalsContact O-CB 3.32Å; F89-M93 WeakPolarHBondContact O-CB 3.29Å; F89-M93 PolarHBondContact O-N 2.93Å; Y90-M93 HydrophobicContact CD2-CE 4.39Å; Y90-M93 PolarHBondContact O-N 3.31Å; T91-M93 PolarHBondContact O-N 2.92Å; M93-A97 WeakPolarHBondContact O-CB 3.46Å; M93-A97 PolarHBondContact O-N 3.44Å
94M78.6Confident70.5Confident91 Ų9186.9 Ų86.945%0.44853%0.527SS..Hα-helixtrans-67-42.9176.5-160.9100.4111.600111.9Y90 T91 Y92 A98Y90-M94 HydrophobicContact CE1-CE 3.7Å; Y90-M94 HydrophobicContact CE1-SD 4.41Å; Y90-M94 VanDerWaalsContact O-CB 3.29Å; Y90-M94 WeakPolarHBondContact O-CB 3.39Å; Y90-M94 PolarHBondContact O-N 3.47Å; Y90-M94 WeakPolarHBondContact OH-CE 3.39Å; T91-M94 PolarHBondContact O-N 3.01Å; Y92-M94 VanDerWaalsContact C-N 3.34Å; Y92-M94 PolarHBondContact O-N 3.46Å; M94-A98 WeakPolarHBondContact O-CB 3.32Å; M94-A98 PolarHBondContact O-N 3.22Å
95T78.4Confident70.2Confident88 Ų8893.9 Ų93.954%0.5455%0.551SS.*Hα-helixtrans-65.8-41.7175.9-620000111.3T91 Y92 A98 A99T91-T95 WeakPolarHBondContact O-CB 3.35Å; T91-T95 PolarHBondContact O-N 3.08Å; T91-T95 PolarHBondContact O-OG1 3.36Å; Y92-T95 PolarHBondContact O-N 3.12Å; T95-A98 PolarHBondContact O-N 2.91Å; T95-A99 WeakPolarHBondContact O-CB 3.15Å; T95-A99 PolarHBondContact O-N 2.83Å
96H74.8Confident70.3Confident98 Ų9893.2 Ų93.245%0.45454%0.537SS..Hα-helixtrans-66.7-41.3178.8-160.9-70.8000111.5Y92 A98 A99 T100Y92-H96 VanDerWaalsContact O-CB 3.27Å; Y92-H96 WeakPolarHBondContact O-CB 3.27Å; Y92-H96 PolarHBondContact O-N 3.45Å; H96-A98 VanDerWaalsContact C-N 3.34Å; H96-A98 PolarHBondContact O-N 3.37Å; H96-A99 PolarHBondContact O-N 2.81Å; H96-T100 WeakPolarHBondContact O-CG2 3.41Å; H96-T100 PolarHBondContact O-N 3.45Å; H96-T100 PolarHBondContact O-OG1 3.49Å
97A75.6Confident69.8Low29 Ų2997 Ų9724%0.2455%0.551CS.*Hα-helixtrans-65.7-35.6175.300000112.8M93 L103M93-A97 WeakPolarHBondContact O-CB 3.46Å; M93-A97 PolarHBondContact O-N 3.44Å; A97-L103 HydrophobicContact CB-CD2 4.09Å
98A71.8Confident68.9Low68 Ų68100 Ų10056%0.56256%0.555SS**Hα-helixtrans-68.5-37.517300000112.1M94 T95 H96M94-A98 WeakPolarHBondContact O-CB 3.32Å; M94-A98 PolarHBondContact O-N 3.22Å; T95-A98 PolarHBondContact O-N 2.91Å; H96-A98 VanDerWaalsContact C-N 3.34Å; H96-A98 PolarHBondContact O-N 3.37Å
99A73.1Confident67.8Low83 Ų83102.7 Ų102.769%0.68657%0.574SS**Hα-helixtrans-72.1-32.9-18000000113.3T95 H96 G101T95-A99 WeakPolarHBondContact O-CB 3.15Å; T95-A99 PolarHBondContact O-N 2.83Å; H96-A99 PolarHBondContact O-N 2.81Å; A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.45Å
100T76.4Confident66.8Low74 Ų74105.4 Ų105.445%0.45459%0.588SS.*THydrogen-bonded Turntrans-83.2-1.5178.9610000113.6H96 S102H96-T100 WeakPolarHBondContact O-CG2 3.41Å; H96-T100 PolarHBondContact O-N 3.45Å; H96-T100 PolarHBondContact O-OG1 3.49Å; T100-S102 PolarHBondContact O-N 2.87Å; T100-S102 PolarHBondContact OG1-OG 2.84Å; T100-S102 VanDerWaalsContact OG1-OG 3.04Å
101G63.7Low65.7Low71 Ų71107.6 Ų107.673%0.73260%0.604SS**THydrogen-bonded Turntrans62.79.5176.400000114.9A99A99-G101 VanDerWaalsContact C-N 3.28Å; A99-G101 PolarHBondContact O-N 3.45Å
102S66.1Low64.7Low81 Ų81107.9 Ų107.957%0.56661%0.607SS**  trans-111.567.5-171.665.30000110.4T100T100-S102 PolarHBondContact O-N 2.87Å; T100-S102 PolarHBondContact OG1-OG 2.84Å; T100-S102 VanDerWaalsContact OG1-OG 3.04Å
103L57Low63.2Low84 Ų84108.1 Ų108.144%0.4462%0.617SS.*  trans-98.8115.8173.4-81.6161.7000109.7A97 Y105 F107A97-L103 HydrophobicContact CB-CD2 4.09Å; L103-Y105 PolarHBondContact O-N 3.18Å; L103-Y105 VanDerWaalsContact O-N 3.1Å; L103-F107 HydrophobicContact CD1-CD2 4.42Å; L103-F107 HydrophobicContact CD1-CE2 3.91Å; L103-F107 HydrophobicContact CD2-CE2 4.03Å; L103-F107 HydrophobicContact CG-CE2 4.48Å
104P60.7Low62.1Low127 Ų127111.9 Ų111.983%0.82563%0.634SS**SBendtrans-77.417179.330.5-34000114.1
105Y50.3Low60.9Low182 Ų182117.7 Ų117.771%0.71465%0.652SS**SBendtrans-146.7131.4176.7-140-97.4000112.7L103 F107L103-Y105 PolarHBondContact O-N 3.18Å; L103-Y105 VanDerWaalsContact O-N 3.1Å; Y105-F107 PolarHBondContact O-N 3.49Å
106P59.3Low59.5Low96 Ų96122.7 Ų122.762%0.62366%0.662SS**  trans-73.5114.6175.729.8-31000109.1H108P106-H108 PolarHBondContact O-N 3.02Å
107F50.7Low58.5Low153 Ų153124 Ų12467%0.67168%0.68SS**  trans-66.1116.9172.2-76.3-81.6000109.6L103 Y105 S109L103-F107 HydrophobicContact CD1-CD2 4.42Å; L103-F107 HydrophobicContact CD1-CE2 3.91Å; L103-F107 HydrophobicContact CD2-CE2 4.03Å; L103-F107 HydrophobicContact CG-CE2 4.48Å; Y105-F107 PolarHBondContact O-N 3.49Å; F107-S109 PolarHBondContact O-N 2.89Å
108H48.8Very low57.4Low165 Ų165129.2 Ų129.276%0.76470%0.699SS**  trans-66.9118.9167-79.963.6000108.8P106 H110P106-H108 PolarHBondContact O-N 3.02Å; H108-H110 PolarHBondContact O-N 3.01Å
109S51.9Low56.6Low131 Ų131132.5 Ų132.592%0.91671%0.711SS**SBendtrans-71.625.6-170.737.80000115.9F107F107-S109 PolarHBondContact O-N 2.89Å
110H52.9Low55.6Low165 Ų165132.3 Ų132.376%0.76472%0.717SS**  trans-11537.5-180-167.6-82.2000112.9H108 P112H108-H110 PolarHBondContact O-N 3.01Å; H110-P112 WeakPolarHBondContact O-CD 3.37Å
111M51.6Low54.5Low154 Ų154134.7 Ų134.776%0.75973%0.732SS**  trans-92.5112.4163.4-101.1-71.2155.700108.8L113M111-L113 HydrophobicContact CB-CD2 4.5Å; M111-L113 PolarHBondContact O-N 3.25Å
112P55.7Low53.9Low87 Ų87136.8 Ų136.857%0.56573%0.73SS**  trans-68.895.6176.1-9.925.6000108.8H110 H114H110-P112 WeakPolarHBondContact O-CD 3.37Å; P112-H114 PolarHBondContact O-N 3.27Å
113L51.3Low53.1Low150 Ų150137.3 Ų137.379%0.78574%0.74SS**G310 helixtrans-73.620.7172.7-65.2-162.6000113.2M111 Y115M111-L113 HydrophobicContact CB-CD2 4.5Å; M111-L113 PolarHBondContact O-N 3.25Å; L113-Y115 VanDerWaalsContact C-N 3.32Å; L113-Y115 PolarHBondContact O-N 3.49Å
114H55.9Low52.6Low173 Ų173137.4 Ų137.480%0.80175%0.753SS**G310 helixtrans-83.5-3.4-177.8-70.7-71.9000114P112P112-H114 PolarHBondContact O-N 3.27Å
115Y52.4Low51.9Low213 Ų213134.7 Ų134.784%0.83574%0.741SS**G310 helixtrans-92.8-3.1-176.2-122.9-90.5000115.1L113L113-Y115 VanDerWaalsContact C-N 3.32Å; L113-Y115 PolarHBondContact O-N 3.49Å
116Y48.8Very low51.8Low193 Ų193129.7 Ų129.776%0.75774%0.737SS**  trans-128.585.8175.9-83.8-86.6000111.6H118Y116-H118 VanDerWaalsContact C-N 3.34Å; Y116-H118 PolarHBondContact O-N 3Å
117P55Low51.1Low126 Ų126128.6 Ų128.682%0.81874%0.736SS**  trans-93.256.1175.537-32.5000111.8
118H51.3Low50.9Low138 Ų138124.1 Ų124.164%0.63973%0.727SS**SBendtrans-142.4136.9158.793.4-57000107.8Y116Y116-H118 VanDerWaalsContact C-N 3.34Å; Y116-H118 PolarHBondContact O-N 3Å
119V55.4Low50.7Low136 Ų136120.6 Ų120.682%0.82473%0.727SS**  trans87.726.7-163.5-37.10000116.3V121V119-V121 VanDerWaalsContact C-N 3.33Å; V119-V121 PolarHBondContact O-N 3.35Å
120G53.2Low50.5Low79 Ų79118.6 Ų118.681%0.81472%0.718SS**  trans-91.949.4162.600000113
121V52.9Low50.5Low124 Ų124115.5 Ų115.575%0.75271%0.711SS**  trans-123.5112.3168.4179.80000106.4V119V119-V121 VanDerWaalsContact C-N 3.33Å; V119-V121 PolarHBondContact O-N 3.35Å
122T51.8Low50.2Low115 Ų115112.6 Ų112.671%0.70672%0.721SS**SBendtrans135.4-9.9158.661.90000116.6
123A48.6Very low49.7Very low93 Ų93112.1 Ų112.177%0.76972%0.724SS**Hα-helixtrans-83.6-35.5172.500000113.3
124A47Very low49.3Very low86 Ų86110 Ų11071%0.71173%0.729SS**Hα-helixtrans-78.4-18.1178.500000113.7
125A46.3Very low49Very low69 Ų69107.4 Ų107.457%0.5773%0.73SS**Hα-helixtrans-76.3-29.4178.400000112.6A128A125-A128 PolarHBondContact O-N 2.91Å
126A46.3Very low48.9Very low78 Ų78101.4 Ų101.465%0.64572%0.719SS**Hα-helixtrans-71.9-29178.500000112.9
127A45.9Very low49.2Very low72 Ų7297.8 Ų97.860%0.59572%0.719SS**Hα-helixtrans-79.6-24.717700000113.4A129A127-A129 VanDerWaalsContact C-N 3.34Å
128A46.4Very low48.9Very low59 Ų59100.4 Ų100.449%0.48872%0.718SS.*Hα-helixtrans-79.8-12.2179.300000113.9A125 A130 T131A125-A128 PolarHBondContact O-N 2.91Å; A128-A130 VanDerWaalsContact C-N 3.31Å; A128-T131 VanDerWaalsContact O-O 3.12Å
129A44Very low48.6Very low91 Ų9198 Ų9875%0.75272%0.721SS**THydrogen-bonded Turntrans-77.6-14.4176.200000113.5A127A127-A129 VanDerWaalsContact C-N 3.34Å
130A48.6Very low48.6Very low89 Ų8997.6 Ų97.674%0.73672%0.72SS**THydrogen-bonded Turntrans-91.9-15-178.500000114A128A128-A130 VanDerWaalsContact C-N 3.31Å
131T53Low48.3Very low100 Ų10098.4 Ų98.461%0.61371%0.713SS**THydrogen-bonded Turntrans-131.3107.5174.142.20000107.3A128 A133A128-T131 VanDerWaalsContact O-O 3.12Å; T131-A133 PolarHBondContact O-N 3.06Å
132G45.4Very low48.3Very low93 Ų9399.8 Ų99.896%0.95972%0.715SS**THydrogen-bonded Turntrans-62.370.3-174.900000114.3
133A43.8Very low48.7Very low77 Ų77104.3 Ų104.364%0.63672%0.719SS**  trans-109.5105.7172.500000107.9T131 S135T131-A133 PolarHBondContact O-N 3.06Å; A133-S135 PolarHBondContact O-N 2.9Å
134A42.7Very low48.7Very low107 Ų107104.3 Ų104.388%0.88471%0.711SS**  trans-55.5119.8175.400000110.5S136A134-S136 PolarHBondContact O-N 2.66Å
135S49.7Very low49Very low117 Ų117107.9 Ų107.982%0.81872%0.717SS**  trans-77.5106.5173.244.70000109.9A133A133-S135 PolarHBondContact O-N 2.9Å
136S51.7Low49.1Very low87 Ų87110.2 Ų110.261%0.60872%0.72SS**  trans-71.8130161.9175.10000109.2A134 F138A134-S136 PolarHBondContact O-N 2.66Å; S136-F138 PolarHBondContact O-N 3.23Å; S136-F138 VanDerWaalsContact O-N 3.16Å
137P53.4Low49.4Very low118 Ų118111.3 Ų111.377%0.76672%0.719SS**THydrogen-bonded Turntrans-76.86.8-174.428.9-33.5000115.3
138F49.3Very low49.4Very low181 Ų181116.2 Ų116.279%0.79473%0.727SS**THydrogen-bonded Turntrans-128.324.5-176-84.5-79.8000115.8S136 T140S136-F138 PolarHBondContact O-N 3.23Å; S136-F138 VanDerWaalsContact O-N 3.16Å; F138-T140 PolarHBondContact O-N 3.31Å; F138-T140 VanDerWaalsContact O-N 3.16Å
139A44.9Very low49.4Very low86 Ų86122.6 Ų122.671%0.71174%0.739SS**  trans-87.776.2172.800000111.7S141A139-S141 PolarHBondContact O-N 3.3Å
140T55.3Low49.6Very low128 Ų128121.6 Ų121.679%0.78573%0.73SS**  trans-70.783.1162.4-490000108.2F138 I142F138-T140 PolarHBondContact O-N 3.31Å; F138-T140 VanDerWaalsContact O-N 3.16Å; T140-I142 PolarHBondContact O-N 2.9Å; T140-I142 VanDerWaalsContact O-N 3.08Å
141S48.3Very low49.6Very low96 Ų96124 Ų12467%0.67173%0.73SS**  trans-67.4107.3169-1750000108.3A139 R143A139-S141 PolarHBondContact O-N 3.3Å; S141-R143 PolarHBondContact O-N 3.49Å; S141-R143 VanDerWaalsContact O-N 3.13Å
142I52.6Low49.1Very low154 Ų154123.2 Ų123.279%0.7973%0.728SS**PPolyproline II helixtrans-53.3116.5169.5-60.4178.3000106.8T140T140-I142 PolarHBondContact O-N 2.9Å; T140-I142 VanDerWaalsContact O-N 3.08Å
143R60.4Low49.1Very low210 Ų210125.8 Ų125.879%0.79272%0.715SS**PPolyproline II helixtrans-60.7135.5-177.8-69.4-79.9160.5170.4-6.2109.9S141 L145S141-R143 PolarHBondContact O-N 3.49Å; S141-R143 VanDerWaalsContact O-N 3.13Å; R143-L145 PolarHBondContact O-N 3.46Å
144P48.2Very low49.3Very low92 Ų92127.6 Ų127.660%0.59772%0.72SS**PPolyproline II helixtrans-61.2135.8168.8-17.830000109.7D146P144-D146 PolarHBondContact O-N 3.04Å
145L52.9Low49.2Very low162 Ų162133.2 Ų133.285%0.84872%0.72SS**THydrogen-bonded Turntrans-68.622.6-178-14378.4000113.8R143R143-L145 PolarHBondContact O-N 3.46Å
146D48.8Very low49Very low117 Ų117133.2 Ų133.263%0.62672%0.72SS**THydrogen-bonded Turntrans-90.2-14.6-176.4-96.5-46.7000113.7P144 F148 R149P144-D146 PolarHBondContact O-N 3.04Å; D146-F148 PolarHBondContact O-N 3.29Å; D146-R149 PolarHBondContact O-N 3.41Å
147T52.4Low48.5Very low102 Ų102138.3 Ų138.363%0.62673%0.726SS**Hα-helixtrans-68.2-24.3177.7-46.20000112.6R149T147-R149 VanDerWaalsContact C-N 3.34Å
148F44.7Very low48Very low175 Ų175137.8 Ų137.877%0.76872%0.723SS**Hα-helixtrans-73.1-25.4176-102.6-86.6000113.2D146D146-F148 PolarHBondContact O-N 3.29Å
149R47.8Very low47.7Very low193 Ų193135.1 Ų135.173%0.72871%0.713SS**Hα-helixtrans-81.7-23.4-178.3-156.3173.2-159.7-164.73.4113.3D146 T147 L151 S152D146-R149 PolarHBondContact O-N 3.41Å; T147-R149 VanDerWaalsContact C-N 3.34Å; R149-L151 PolarHBondContact O-N 3.2Å; R149-S152 PolarHBondContact O-OG 2.99Å
150A48Very low48Very low70 Ų70138.3 Ų138.358%0.57972%0.717SS**Hα-helixtrans-69.6-22.7172.900000112.8H153A150-H153 PolarHBondContact O-ND1 3.07Å
151L48.8Very low47.8Very low139 Ų139138.9 Ų138.973%0.72872%0.715SS**THydrogen-bonded Turntrans-88.9-6.3-178.9-81149.8000114.4R149 H153R149-L151 PolarHBondContact O-N 3.2Å; L151-H153 VanDerWaalsContact C-N 3.35Å; L151-H153 PolarHBondContact O-N 2.97Å
152S42.5Very low47.7Very low83 Ų83139 Ų13958%0.5871%0.714SS**  trans-9525.3-179.671.60000114R149 P154R149-S152 PolarHBondContact O-OG 2.99Å; S152-P154 WeakPolarHBondContact O-CD 3.43Å
153H44.5Very low47.4Very low147 Ų147137 Ų13768%0.68171%0.714SS**SBendtrans-74.8119.5163.7-68.786.2000107.9A150 L151 Y155A150-H153 PolarHBondContact O-ND1 3.07Å; L151-H153 VanDerWaalsContact C-N 3.35Å; L151-H153 PolarHBondContact O-N 2.97Å; H153-Y155 PolarHBondContact O-N 3.33Å; H153-Y155 VanDerWaalsContact O-N 3.07Å
154P47.9Very low46.5Very low115 Ų115135 Ų13575%0.74771%0.712SS**  trans-61.8118.517226.8-30.5000106.9S152 S156S152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-S156 PolarHBondContact O-N 3.2Å
155Y40.6Very low46.3Very low226 Ų226141.8 Ų141.889%0.88673%0.725SS**  trans-14.999.4170.6-87.7-96.9000113.8H153 R157H153-Y155 PolarHBondContact O-N 3.33Å; H153-Y155 VanDerWaalsContact O-N 3.07Å; Y155-R157 PolarHBondContact O-N 2.99Å
156S45.2Very low45.7Very low116 Ų116141.9 Ų141.981%0.81172%0.721SS**  trans-7490.8158.3-65.10000106.7P154 P158P154-S156 PolarHBondContact O-N 3.2Å; S156-P158 WeakPolarHBondContact O-CD 3.39Å
157R41.8Very low45.3Very low194 Ų194142.4 Ų142.473%0.73273%0.731SS**  trans-53.8119.4169.9177.7-177.9166.41442.9108.2Y155 E159Y155-R157 PolarHBondContact O-N 2.99Å; R157-E159 IonicContact CZ-OE1 3.24Å; R157-E159 IonicContact NE-OE1 3.29Å; R157-E159 PolarHBondContact NE-OE1 3.05Å; R157-E159 PolarHBondContact O-N 3.27Å
158P43.1Very low44.7Very low108 Ų108140.9 Ų140.970%0.70174%0.735SS**  trans-67.3109.3168.9-10.225.1000106.9S156 L160S156-P158 WeakPolarHBondContact O-CD 3.39Å; P158-L160 PolarHBondContact O-N 2.87Å
159E43.8Very low44.7Very low125 Ų125140.9 Ų140.958%0.58474%0.742SS**  trans-62.392.5162.5-76.8-67.4120.800107R157 L161R157-E159 IonicContact CZ-OE1 3.24Å; R157-E159 IonicContact NE-OE1 3.29Å; R157-E159 PolarHBondContact NE-OE1 3.05Å; R157-E159 PolarHBondContact O-N 3.27Å; E159-L161 PolarHBondContact O-N 3.1Å
160L50.1Low44.5Very low153 Ų153141.7 Ų141.780%0.80175%0.747SS**  trans-67.578.8156.5-67.2-180000106.6P158 C162P158-L160 PolarHBondContact O-N 2.87Å; L160-C162 PolarHBondContact O-N 3.29Å
161L50.8Low43.9Very low140 Ų140147.5 Ų147.573%0.73376%0.762SS**  trans-63.576.8154.5-77.2167.4000106.6E159 S163E159-L161 PolarHBondContact O-N 3.1Å; L161-S163 PolarHBondContact O-N 2.79Å
162C46.9Very low43.2Very low97 Ų97145.7 Ų145.766%0.65576%0.761SS**  trans-58101.1147.352.10000105.5L160 F164L160-C162 PolarHBondContact O-N 3.29Å; C162-F164 HydrophobicContact CB-CD2 4.5Å; C162-F164 PolarHBondContact O-N 2.96Å
163S47.2Very low43.4Very low114 Ų114147.5 Ų147.580%0.79777%0.771SS**  trans-64.265.9160.3-66.70000108.6L161 R165L161-S163 PolarHBondContact O-N 2.79Å; S163-R165 PolarHBondContact O-N 2.84Å
164F39.8Very low43.1Very low168 Ų168145.5 Ų145.574%0.73778%0.78SS**  trans-72.390.5159.2-117.5-92.7000105.1C162 H166C162-F164 HydrophobicContact CB-CD2 4.5Å; C162-F164 PolarHBondContact O-N 2.96Å; F164-H166 PolarHBondContact O-N 2.73Å
165R45.6Very low42.4Very low233 Ų233143.4 Ų143.488%0.87978%0.779SS**  trans-56.3107.8163.2-83.3-156.8-168.4-114.39.2107S163S163-R165 PolarHBondContact O-N 2.84Å
166H40.4Very low42.2Very low165 Ų165140.1 Ų140.176%0.76478%0.776SS**  trans-62.5131.7156.9-68.1-79.1000107.8F164 G168F164-H166 PolarHBondContact O-N 2.73Å; H166-G168 VanDerWaalsContact C-N 3.3Å; H166-G168 PolarHBondContact O-N 2.96Å
167P40.2Very low41.8Very low127 Ų127141.1 Ų141.183%0.82577%0.772SS**  trans-70.395.6164.727.6-28.2000107.5L169P167-L169 PolarHBondContact O-N 3.05Å
168G38.9Very low41.5Very low70 Ų70137.2 Ų137.272%0.72277%0.774SS**  trans-69.8116.516700000109.3H166 Y170H166-G168 VanDerWaalsContact C-N 3.3Å; H166-G168 PolarHBondContact O-N 2.96Å; G168-Y170 VanDerWaalsContact C-N 3.3Å; G168-Y170 PolarHBondContact O-N 2.95Å
169L45.2Very low41.2Very low176 Ų176137.6 Ų137.692%0.92178%0.78SS**SBendtrans-66.983.4167.7-69.2168.3000109.8P167P167-L169 PolarHBondContact O-N 3.05Å
170Y42.9Very low40.8Very low209 Ų209136.6 Ų136.682%0.8279%0.793SS**  trans-178.3106.1146.7-142.2-105.7000110.5G168G168-Y170 VanDerWaalsContact C-N 3.3Å; G168-Y170 PolarHBondContact O-N 2.95Å
171Q36.8Very low39.9Very low192 Ų192134 Ų13490%0.89779%0.794SS**  trans-158.9111.8150.7-153.690.635.800109.2
172S32.3Very low39.2Very low102 Ų102132.2 Ų132.271%0.71380%0.799SS**  trans-91.5160.9169.1-145.80000109.4
173P48.3Very low38.7Very low120 Ų120133.1 Ų133.178%0.77981%0.806SS**  trans-96.1154.7-139.237.1-37.3000114.3
174A37.8Very low37.9Very low106 Ų106132.4 Ų132.488%0.87681%0.808SS**  trans-160.7129.2150.900000111.3
175G33.8Very low37.5Very low70 Ų70129.2 Ų129.272%0.72281%0.812SS**  trans90.286.4138.100000119.5
176L36.3Very low36.8Very low158 Ų158123 Ų12383%0.82781%0.811SS**  47.4111.6113.5-70.5179.8000119.9
177N36.7Very low36.4Very low137 Ų137120.2 Ų120.273%0.73382%0.816SS**  119.5131.7126.4-54.6-14.1000119.6
178S35.7Very low35.9Very low111 Ų111118.6 Ų118.678%0.77681%0.814SS**  trans99.883.6146.5-56.80000120.3
179S36.3Very low35.4Very low116 Ų116120.3 Ų120.381%0.81182%0.821SS**  24.9126.712059.50000121.9
180A34.5Very low34.8Very low104 Ų104116.4 Ų116.486%0.8681%0.814SS**  trans151.1142.1130.400000109
181A31.8Very low34.1Very low99 Ų99111 Ų11182%0.81881%0.813SS**  cis-168.6135.6-14.200000104.8
182A36.3Very low33.7Very low103 Ų103106.8 Ų106.885%0.85181%0.811SS**  trans-169.7101.8153.600000110.1
183S35.7Very low33.6Very low115 Ų115107.3 Ų107.380%0.80482%0.821SS**  trans-52.9128.9161.643.60000111.6
184A31.7Very low32.8Very low100 Ų100105.6 Ų105.683%0.82682%0.817SS**  85.6110.974.500000114.8
185A30.7Very low32.5Very low100 Ų100106.8 Ų106.883%0.82681%0.813SS**  trans178.995.6141.800000106.7
186A31.2Very low32.5Very low103 Ų103108.8 Ų108.885%0.85182%0.816SS**  86.3133.864.800000114.6
187A30.6Very low32.4Very low107 Ų107105.7 Ų105.788%0.88481%0.813SS**  trans85.6127.4170.200000117
188A30.7Very low32.8Very low93 Ų93104.6 Ų104.677%0.76981%0.813SS**  cis-164.5149.61.700000111.3
189A29.1Very low32.8Very low106 Ų106104.7 Ų104.788%0.87681%0.814SS**  trans30.5139144.400000121.1
190A30.8Very low32.9Very low93 Ų93103.5 Ų103.577%0.76981%0.811SS**  cis-154.6130.432.600000111.5
191A29.6Very low33.6Very low97 Ų97104.5 Ų104.580%0.80281%0.812SS**  53.295.8108.100000115
192A28.5Very low34.5Very low103 Ų103103.2 Ų103.285%0.85181%0.808SS**  71.395.868.300000114
193A29.4Very low35.4Very low112 Ų112104.3 Ų104.393%0.92681%0.807SS**  trans-84.3126.215700000108.5
194A32.2Very low36.3Very low85 Ų85103.3 Ų103.370%0.70280%0.799SS**  trans-111.2127.1178.700000110.7
195V31.9Very low37.9Very low130 Ų130104.7 Ų104.779%0.78880%0.803SS**  trans64.6117133.5-169.70000115.9
196S32.1Very low38.7Very low112 Ų112103.2 Ų103.278%0.78379%0.785SS**  -165136.382.8-59.90000112.2
197A36Very low39.9Very low93 Ų93106.5 Ų106.577%0.76979%0.788SS**  trans-80.1167.2156.500000108.4
198P44.9Very low41Very low114 Ų114106.7 Ų106.774%0.7478%0.783SS**  -152.2172.55142.5-20.7000118.2
199S34.2Very low42Very low113 Ų113105.1 Ų105.179%0.7977%0.765SS**  trans82.1123.6146.2-54.10000122.2
200A38.4Very low42.8Very low91 Ų91108.4 Ų108.475%0.75276%0.762SS**  trans89.2121137.100000120.9
201S49.9Very low43.5Very low126 Ų126109.6 Ų109.688%0.88177%0.765SS**  trans57.593.9152.258.60000118.6
202G49.6Very low44.7Very low71 Ų71110.7 Ų110.773%0.73277%0.766SS**  trans-122.1142.9164.200000111.7
203P55.1Low45.6Very low127 Ų127110.6 Ų110.683%0.82576%0.76SS**  trans-76.3159.1-173.331.1-34.6000113.9
204C54.9Low46.3Very low93 Ų93115.1 Ų115.163%0.62876%0.761SS**  trans-54.2136.9-175.153.60000115C209C204-C209 VanDerWaalsContact SG-SG 3.7Å
205S65Low46.8Very low130 Ų130115.7 Ų115.791%0.90977%0.766SS**  trans-101.662.9174.9-67.20000112
206C48.5Very low47.1Very low68 Ų68114 Ų11446%0.45977%0.766SS.*  trans-113.6140.9165.260.70000110.1S208 C209C206-S208 PolarHBondContact O-N 2.98Å; C206-C209 PolarHBondContact O-N 3.39Å; C206-C209 VanDerWaalsContact SG-SG 3.65Å
207L57.2Low47.3Very low173 Ų173114.6 Ų114.691%0.90677%0.77SS**G310 helixtrans-63.2-0.9-175.1-86.290.5000114.7
208S51.9Low47.3Very low111 Ų111115.2 Ų115.278%0.77678%0.775SS**G310 helixtrans-82.2-9.2176.3-61.10000114.2C206C206-S208 PolarHBondContact O-N 2.98Å
209C52.8Low46.9Very low59 Ų59118.8 Ų118.840%0.39979%0.787SS.*G310 helixtrans-95.5-4-175.5-49.50000114.3C204 C206C204-C209 VanDerWaalsContact SG-SG 3.7Å; C206-C209 PolarHBondContact O-N 3.39Å; C206-C209 VanDerWaalsContact SG-SG 3.65Å
210H45.5Very low47Very low176 Ų176117.1 Ų117.182%0.81579%0.788SS**THydrogen-bonded Turntrans-92.78.7-170.6-110.188.7000115.4
211S46.5Very low46.8Very low118 Ų118117.9 Ų117.983%0.82579%0.788SS**THydrogen-bonded Turntrans-1063-179.2-78.60000115.9
212S54.2Low46.1Very low119 Ų119123 Ų12383%0.83279%0.787SS**SBendtrans-130.722.8-171-52.10000116
213S48Very low45.3Very low102 Ų102125.2 Ų125.271%0.71379%0.792SS**  trans-148.568179.837.60000113.1
214Q43.5Very low44.6Very low206 Ų206124.1 Ų124.196%0.96379%0.794SS**  trans-128.487.7151.1-91.4-17773.200108.7
215A41.8Very low43.7Very low97 Ų97123.4 Ų123.480%0.80280%0.802SS**  trans-147.8136.4157.700000108.7
216A38.4Very low42.5Very low94 Ų94121.6 Ų121.678%0.77780%0.795SS**  trans81.69717400000117.3
217S36.5Very low42.4Very low126 Ų126125.1 Ų125.188%0.88181%0.809SS**  171.1106.9104.9-70.60000110.2
218A36.3Very low41.3Very low105 Ų105126.4 Ų126.487%0.86881%0.808SS**  trans-146.3104.6160.800000109
219L37.2Very low40.8Very low189 Ų189127.4 Ų127.499%0.9981%0.81SS**  trans-77.7126.7161.5-122.283.8000107.4
220G34.9Very low39.8Very low79 Ų79130.7 Ų130.781%0.81483%0.831SS**  trans179.7117.617500000112
221S35.7Very low39.3Very low107 Ų107129 Ų12975%0.74883%0.834SS**  trans-77.8148.2-163.7-174.30000115.8
222R34.2Very low38.9Very low232 Ų232127.7 Ų127.788%0.87583%0.83SS**  trans91.4106146.4-84.3165.2161.7-130.9-10.2123.1
223S33.6Very low38Very low119 Ų119127.6 Ų127.683%0.83283%0.829SS**  99.4126.6113.9-148.90000121.7
224A39.1Very low37.5Very low104 Ų104128.8 Ų128.886%0.8683%0.833SS**  trans89.5116.1152.400000120.5
225G36.5Very low37.1Very low77 Ų77126.6 Ų126.679%0.79482%0.823SS**  trans127.496137.500000119.1
226A40.4Very low36.7Very low92 Ų92132 Ų13276%0.7682%0.822SS**  trans64.2107.1143.900000122.4
227D47Very low36.6Very low142 Ų142131 Ų13176%0.75981%0.81SS**  34120.2125.2-47.3-41.5000121.4
228F33.9Very low36.6Very low200 Ų200133 Ų13388%0.87781%0.805SS**  177.3146.399.2-107.5-88.4000112
229T40.8Very low36.9Very low133 Ų133132.9 Ų132.982%0.81680%0.798SS**  trans-74.3143.9-167.120.80000115.7
230C31.7Very low37Very low127 Ų127129.7 Ų129.786%0.85879%0.791SS**  trans-123.1112.2160.4-176.90000109.9
231T35.3Very low37.3Very low140 Ų140135.9 Ų135.986%0.85980%0.796SS**  trans-63.813217229.30000111.9
232A38.1Very low38Very low92 Ų92138.5 Ų138.576%0.7680%0.801SS**  trans-116133.8165.200000108.8
233S35.1Very low39.3Very low116 Ų116132.7 Ų132.781%0.81179%0.793SS**  trans-154.5127.9161-850000111.8
234T37.7Very low39.5Very low128 Ų128137.4 Ų137.479%0.78579%0.794SS**  trans88.194.6149.4-36.70000116.5
235Q35.2Very low39.7Very low160 Ų160136.9 Ų136.975%0.74878%0.784SS**  78.4132.176.3-92.4-153.717.600116.7
236R33.7Very low40.1Very low211 Ų211138 Ų13880%0.79679%0.786SS**  trans69.6146.1148.9-75.4-175.3149.5-112.20.3117.3
237S35.6Very low40.2Very low73 Ų73138.6 Ų138.651%0.5179%0.791SS.*  cis-175.4146.7-10-960000105.9
238E36.3Very low40.1Very low166 Ų166137.9 Ų137.978%0.77679%0.791SS**  trans56108.9139.6-62.2-169.5115.600119.4
239S42.1Very low40.5Very low103 Ų103136.1 Ų136.172%0.7279%0.79SS**  76.4110.189.988.40000113.8
240S40.1Very low40.4Very low123 Ų123134.4 Ų134.486%0.8678%0.784SS**  trans-169.396.4150.5-86.80000109.4
241F42.2Very low40.8Very low209 Ų209137.8 Ų137.892%0.91778%0.784SS**  trans-75.2125151.4-111.4-97000107
242L49.8Very low41.1Very low162 Ų162137.5 Ų137.585%0.84878%0.782SS**  trans-138.3134.6150.5-81.8-179.3000110.8
243P60.6Low41.1Very low109 Ų109138.1 Ų138.171%0.70878%0.781SS**  trans-95.7138.8172.435.7-28.1000110.7
244Y37.6Very low41.8Very low219 Ų219139 Ų13986%0.85978%0.781SS**  trans-170.3120.2144.8-144-112.7000113.9
245S43.4Very low42.3Very low92 Ų92138.9 Ų138.964%0.64378%0.783SS**  trans34.7149.3130.6-38.60000124.4
246A45Very low42.4Very low101 Ų101136.3 Ų136.384%0.83578%0.782SS**  trans-66.4157.9-173.600000117.2
247A42.6Very low43.2Very low104 Ų104131.5 Ų131.586%0.8678%0.778SS**  trans-145.4138148.800000111.7
248V44.3Very low43.3Very low127 Ų127134.8 Ų134.877%0.7779%0.79SS**  trans-74.6150.7179.6167.70000111.4
249L42.3Very low43.5Very low164 Ų164135.9 Ų135.986%0.85980%0.795SS**  trans161.7146.6140.7-104.882.6000106.4
250S38.8Very low43.3Very low97 Ų97141 Ų14168%0.67880%0.799SS**  cis-179.8126.7-20.3-96.70000105.5
251K41.5Very low43.4Very low197 Ų197143.9 Ų143.986%0.85780%0.799SS**  trans60.3110.4136.7-163.8173.6-178179.30120.4
252T40.1Very low43.4Very low134 Ų134141.5 Ų141.582%0.82279%0.79SS**  trans-15797.7134.635.70000109
253S40Very low43Very low106 Ų106139.3 Ų139.374%0.74179%0.789SS**  76.398110.473.90000115.9
254V49.4Very low42Very low135 Ų135139.2 Ų139.282%0.81879%0.79SS**  trans-69144.7154.9174.70000108.9
255P46.8Very low42.3Very low125 Ų125137 Ų13781%0.81279%0.793SS**  -138.8140.7121.434.9-21.1000113.9
256S38.1Very low42.3Very low106 Ų106140.7 Ų140.774%0.74181%0.805SS**  trans-156158.1157.6-159.20000105.4
257P51Low42.2Very low110 Ų110151 Ų15171%0.71482%0.822SS**  cis-128.7-159.8-333.6-11.2000111.9
258D37.4Very low42.2Very low142 Ų142153.3 Ų153.376%0.75982%0.821SS**  trans10397.7166.9-97.8-56.6000118.2
259Q40.7Very low42.1Very low189 Ų189154.7 Ų154.788%0.88382%0.823SS**  -166.3100.4122.6-102.7173.255.900111.4
260R37.1Very low42.1Very low211 Ų211154.2 Ų154.280%0.79682%0.821SS**  15.7110.9127.5-165.6179.5-157.7157.43.9117.5
261E42.1Very low42.3Very low183 Ų183157.5 Ų157.586%0.85583%0.83SS**  trans-147.9107.4138.8-138178.6128.200110.1
262E42Very low42.3Very low158 Ų158155.1 Ų155.174%0.73883%0.828SS**  trans-64.3123.9161.7-82.5171.979.800108.3
263S41.3Very low42.5Very low117 Ų117156.5 Ų156.582%0.81883%0.828SS**  trans-116.2103.9161.531.60000108.7
264S41.3Very low42.7Very low106 Ų106160.1 Ų160.174%0.74184%0.835SS**  trans-61.3150.2177.5-61.30000113
265L42.2Very low42.2Very low174 Ų174162 Ų16291%0.91184%0.836SS**  trans-46.8132.4169.1-71.892.1000112.8
266N43.4Very low41.8Very low169 Ų169165.1 Ų165.190%0.90484%0.838SS**  trans-158.599.3140.5-140.68.6000110.6
267R44.6Very low42.1Very low316 Ų316170.5 Ų170.5100%1.19285%0.847SS**  179.80128.1-159.5170.6-160.7174.34.9111

Retrieved 267 of 267 residues in 264 ms (Link to these results)