A0A5K4F450_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F450, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 477 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M42Very low47.6Very low241 Ų241178.1 Ų178.1100%1.18786%0.862SS**  0111.40-82.5171.3150.200107.9
2T47.6Very low47.7Very low133 Ų133173.8 Ų173.882%0.81686%0.859SS**  trans-149.8106.3178.7300000107.4
3P49Very low47.8Very low126 Ų126175.1 Ų175.182%0.81886%0.861SS**  trans-78.1137.1177.7-7.724.7000110.7E5P3-E5 PolarHBondContact O-N 2.79Å
4N44.7Very low48Very low151 Ų151177.9 Ų177.981%0.80786%0.857SS**  trans-66.5117.8172.1-74.7-53.3000111Q6N4-Q6 PolarHBondContact O-N 3.17Å
5E47.4Very low48.2Very low194 Ų194173.5 Ų173.591%0.90785%0.848SS**  trans-79.990.4157.9-72.1-164.713500109.3P3 Q7P3-E5 PolarHBondContact O-N 2.79Å; E5-Q7 PolarHBondContact O-N 3.48Å
6Q52.6Low48.6Very low144 Ų144175.6 Ų175.667%0.67385%0.852SS**  trans-67.1114.3167.8-72.1-179.8-20.500109.1N4 F8N4-Q6 PolarHBondContact O-N 3.17Å; Q6-F8 HydrophobicContact CB-CD2 4.39Å; Q6-F8 HydrophobicContact CB-CE2 4.32Å; Q6-F8 PolarHBondContact O-N 3.17Å
7Q48.4Very low48.5Very low196 Ų196178.6 Ų178.692%0.91685%0.852SS**  trans-62.696.6168.8-74.2-176.8-26.100109.6E5 E9E5-Q7 PolarHBondContact O-N 3.48Å; Q7-E9 PolarHBondContact O-N 3.35Å; Q7-E9 VanDerWaalsContact O-N 3.08Å
8F48.8Very low48.3Very low173 Ų173173.6 Ų173.676%0.75985%0.845SS**  trans-71.3102169-92.6-91000109.3Q6 Q10Q6-F8 HydrophobicContact CB-CD2 4.39Å; Q6-F8 HydrophobicContact CB-CE2 4.32Å; Q6-F8 PolarHBondContact O-N 3.17Å; F8-Q10 PolarHBondContact O-N 2.87Å
9E50.5Low48.2Very low186 Ų186173.7 Ų173.787%0.86985%0.849SS**  trans-52.7108.2174.4-166.5177.1-148.200110.3Q7 R11Q7-E9 PolarHBondContact O-N 3.35Å; Q7-E9 VanDerWaalsContact O-N 3.08Å; E9-R11 PolarHBondContact O-N 2.9Å
10Q47.6Very low47.9Very low187 Ų187169.6 Ų169.687%0.87484%0.839SS**  trans-69.398.5-176.6-70.8-174.51.500110.2F8F8-Q10 PolarHBondContact O-N 2.87Å
11R45Very low47.9Very low228 Ų228170.8 Ų170.886%0.8684%0.839SS**  trans-54.7130.8168.6-77-177.3174.6147.30.6109.5E9 H13E9-R11 PolarHBondContact O-N 2.9Å; R11-H13 PolarHBondContact O-N 2.89Å
12P49.4Very low48Very low127 Ų127166 Ų16683%0.82582%0.817SS**  trans-59129.9-176.122.3-32.9000110.8R14P12-R14 PolarHBondContact O-N 3.22Å
13H48Very low48Very low190 Ų190163.8 Ų163.888%0.8881%0.807SS**  trans-56.4110.4-179.5-96.1-70.8000110.8R11R11-H13 PolarHBondContact O-N 2.89Å
14R51.7Low48.1Very low214 Ų214164.4 Ų164.481%0.80880%0.803SS**  trans-55126.7170.5-171.3178.3-169.6170.74.3108.6P12 K16P12-R14 PolarHBondContact O-N 3.22Å; R14-K16 PolarHBondContact O-N 3.34Å
15P50.7Low48.5Very low112 Ų112163.9 Ų163.973%0.72780%0.8SS**  trans-54.4126.8178.7-27.634.8000110.6R17P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å
16K54.8Low48.8Very low207 Ų207158.4 Ų158.490%0.978%0.777SS**  trans-63.996.7169.4-70.6179.4179.6176.40107R14 A18R14-K16 PolarHBondContact O-N 3.34Å; K16-A18 PolarHBondContact O-N 3.13Å; K16-A18 VanDerWaalsContact O-N 3.16Å
17R46.7Very low49.2Very low228 Ų228158.2 Ų158.286%0.8679%0.786SS**  trans-54.3124.5169.5-79.2-176.8174.2157.5-3.2107P15P15-R17 VanDerWaalsContact C-N 3.32Å; P15-R17 PolarHBondContact O-N 3.07Å
18A44Very low50Low88 Ų88155.2 Ų155.273%0.72778%0.775SS**  trans-54.1147.5175.100000109.3K16 S20K16-A18 PolarHBondContact O-N 3.13Å; K16-A18 VanDerWaalsContact O-N 3.16Å; A18-S20 PolarHBondContact O-N 3.43Å
19L46.6Very low51.4Low176 Ų176149.9 Ų149.992%0.92177%0.769SS**  trans-68.672.7168-73.2161.5000108.6K21L19-K21 PolarHBondContact O-N 3.44Å
20S43Very low52.8Low91 Ų91142.6 Ų142.664%0.63674%0.736SS**  trans-55.5133.9159.7-1710000107A18 I22A18-S20 PolarHBondContact O-N 3.43Å; S20-I22 PolarHBondContact O-N 3.35Å
21K47.8Very low54.6Low194 Ų194136.4 Ų136.484%0.84371%0.713SS**  trans-73.297.2179.9-65.3177.9-179.81790107L19 S23L19-K21 PolarHBondContact O-N 3.44Å; K21-S23 PolarHBondContact O-N 3.17Å
22I42.8Very low56.2Low141 Ų141133.8 Ų133.872%0.72370%0.703SS**  trans-67.898.4-176.5-61.7149.9000108.7S20S20-I22 PolarHBondContact O-N 3.35Å
23S49.2Very low57.9Low87 Ų87134.7 Ų134.761%0.60869%0.694SS**  trans-105.3-7.8165.3440000113.1K21K21-S23 PolarHBondContact O-N 3.17Å
24D51.4Low59.5Low139 Ų139129.8 Ų129.874%0.74367%0.672SS**THydrogen-bonded Turntrans-104.4-3.2-152.8-59.6-5.1000114.9
25D53Low61Low140 Ų140122 Ų12275%0.74964%0.644SS**THydrogen-bonded Turntrans-89.70.1174.1-79.6-37.3000113.1V27D25-V27 PolarHBondContact O-N 3.3Å; D25-V27 VanDerWaalsContact O-N 3.14Å
26N53.1Low62.6Low78 Ų78119.5 Ų119.542%0.41762%0.623SS.*  trans-89.563-174.5-82.924.7000113.3L28 G29 I30N26-L28 PolarHBondContact O-N 3.46Å; N26-G29 PolarHBondContact ND2-O 2.99Å; N26-G29 VanDerWaalsContact ND2-O 3.11Å; N26-G29 PolarHBondContact O-N 3.27Å; N26-I30 PolarHBondContact ND2-O 2.88Å; N26-I30 PolarHBondContact OD1-O 2.91Å; N26-I30 VanDerWaalsContact OD1-O 3.1Å
27V59.8Low64.1Low141 Ų141114.7 Ų114.786%0.85560%0.604SS**THydrogen-bonded Turntrans-54.5-25171.8-179.70000112.4D25D25-V27 PolarHBondContact O-N 3.3Å; D25-V27 VanDerWaalsContact O-N 3.14Å
28L65.8Low66.1Low133 Ų133108.1 Ų108.170%0.69659%0.585SS**THydrogen-bonded Turntrans-113.36.7-180-65.7173.6000113.9N26 I30N26-L28 PolarHBondContact O-N 3.46Å; L28-I30 HydrophobicContact CB-CD1 4.16Å; L28-I30 HydrophobicContact CB-CG1 3.95Å; L28-I30 HydrophobicContact CD1-CD1 4.27Å; L28-I30 PolarHBondContact O-N 3.16Å
29G78.5Confident68.1Low61 Ų61107.8 Ų107.863%0.62957%0.565SS**SBendtrans71.9-16.4-177.800000116.6N26N26-G29 PolarHBondContact ND2-O 2.99Å; N26-G29 VanDerWaalsContact ND2-O 3.11Å; N26-G29 PolarHBondContact O-N 3.27Å
30I80.1Confident70.2Confident32 Ų32106.2 Ų106.216%0.16455%0.551CS.*  trans-77.6154.8-176.360.3177.9000114.3N26 L28 E34 E35 L38N26-I30 PolarHBondContact ND2-O 2.88Å; N26-I30 PolarHBondContact OD1-O 2.91Å; N26-I30 VanDerWaalsContact OD1-O 3.1Å; L28-I30 HydrophobicContact CB-CD1 4.16Å; L28-I30 HydrophobicContact CB-CG1 3.95Å; L28-I30 HydrophobicContact CD1-CD1 4.27Å; L28-I30 PolarHBondContact O-N 3.16Å; I30-E34 WeakPolarHBondContact CA-OE2 3.48Å; I30-E34 HydrophobicContact CB-CB 4.35Å; I30-E34 HydrophobicContact CB-CG 4Å; I30-E34 VanDerWaalsContact CB-OE2 3.31Å; I30-E34 WeakPolarHBondContact CB-OE2 3.45Å; I30-E34 VanDerWaalsContact CG2-CD 3.48Å; I30-E34 HydrophobicContact CG2-CG 4.19Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.42Å; I30-E35 HydrophobicContact CD1-CB 3.9Å; I30-E35 HydrophobicContact CD1-CG 3.93Å; I30-E35 HydrophobicContact CG1-CB 4.44Å; I30-L38 HydrophobicContact CD1-CD1 3.77Å
31S84.5Confident72.1Confident57 Ų57104.3 Ų104.340%0.39954%0.541SS..  trans-72.8154.9175.772.60000112.5K33 E34 E35S31-K33 PolarHBondContact O-N 3.42Å; S31-K33 VanDerWaalsContact O-N 3.15Å; S31-E34 PolarHBondContact N-OE2 3.03Å; S31-E34 VanDerWaalsContact N-OE2 3.09Å; S31-E34 WeakPolarHBondContact O-CB 3.28Å; S31-E34 PolarHBondContact O-N 3.32Å; S31-E34 VanDerWaalsContact O-N 3.08Å; S31-E34 VanDerWaalsContact OG-CB 3.28Å; S31-E34 WeakPolarHBondContact OG-CB 3.43Å; S31-E34 PolarHBondContact OG-N 3.04Å; S31-E35 PolarHBondContact O-N 2.81Å
32W79.3Confident73.9Confident174 Ų174100.8 Ų100.866%0.65953%0.529SS*.Hα-helixtrans-54.1-34.7172.7168.6-102000113.2Q36W32-Q36 HydrophobicContact CD2-CG 4.25Å; W32-Q36 HydrophobicContact CZ2-CG 4.13Å; W32-Q36 VanDerWaalsContact O-CG 3.26Å; W32-Q36 WeakPolarHBondContact O-CG 3.33Å; W32-Q36 PolarHBondContact O-N 2.94Å; W32-Q36 VanDerWaalsContact O-N 3.09Å
33K84.3Confident75.7Confident145 Ų14599 Ų9963%0.6351%0.513SS*.Hα-helixtrans-65.7-46.6177.3-175.1-175.3170.8-165.40111S31 Q36 E37S31-K33 PolarHBondContact O-N 3.42Å; S31-K33 VanDerWaalsContact O-N 3.15Å; K33-Q36 PolarHBondContact O-N 3.05Å; K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 IonicContact NZ-OE1 3.97Å; K33-E37 PolarHBondContact O-N 3.38Å
34E83.2Confident77.1Confident87 Ų8798.5 Ų98.541%0.40751%0.507SS..Hα-helixtrans-64.1-40.6176.7-178.4179.6-171.200111.7I30 S31 Q36 E37 L38I30-E34 WeakPolarHBondContact CA-OE2 3.48Å; I30-E34 HydrophobicContact CB-CB 4.35Å; I30-E34 HydrophobicContact CB-CG 4Å; I30-E34 VanDerWaalsContact CB-OE2 3.31Å; I30-E34 WeakPolarHBondContact CB-OE2 3.45Å; I30-E34 VanDerWaalsContact CG2-CD 3.48Å; I30-E34 HydrophobicContact CG2-CG 4.19Å; I30-E34 WeakPolarHBondContact CG2-OE1 3.42Å; S31-E34 PolarHBondContact N-OE2 3.03Å; S31-E34 VanDerWaalsContact N-OE2 3.09Å; S31-E34 WeakPolarHBondContact O-CB 3.28Å; S31-E34 PolarHBondContact O-N 3.32Å; S31-E34 VanDerWaalsContact O-N 3.08Å; S31-E34 VanDerWaalsContact OG-CB 3.28Å; S31-E34 WeakPolarHBondContact OG-CB 3.43Å; S31-E34 PolarHBondContact OG-N 3.04Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.94Å; E34-E37 PolarHBondContact O-N 3.11Å; E34-L38 HydrophobicContact CG-CD1 4.37Å; E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.49Å
35E82.6Confident78.3Confident51 Ų5195.3 Ų95.324%0.23850%0.496CS..Hα-helixtrans-60.4-39.4173.6-156.9-146.5169.900111.9I30 S31 R39I30-E35 HydrophobicContact CD1-CB 3.9Å; I30-E35 HydrophobicContact CD1-CG 3.93Å; I30-E35 HydrophobicContact CG1-CB 4.44Å; S31-E35 PolarHBondContact O-N 2.81Å; E35-R39 VanDerWaalsContact CD-NE 3.27Å; E35-R39 VanDerWaalsContact CD-NH2 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.38Å; E35-R39 WeakPolarHBondContact O-CD 3.41Å; E35-R39 WeakPolarHBondContact O-CG 3.12Å; E35-R39 PolarHBondContact O-N 3.13Å; E35-R39 IonicContact OE1-CZ 3.39Å; E35-R39 IonicContact OE1-NE 2.82Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 3.33Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.59Å; E35-R39 IonicContact OE2-NH2 3.19Å; E35-R39 PolarHBondContact OE2-NH2 3.16Å
36Q84.6Confident79.3Confident59 Ų5993 Ų9328%0.27648%0.482SS..Hα-helixtrans-70.3-35176.1-69.5-68.6-31.400112.6W32 K33 E34 K40W32-Q36 HydrophobicContact CD2-CG 4.25Å; W32-Q36 HydrophobicContact CZ2-CG 4.13Å; W32-Q36 VanDerWaalsContact O-CG 3.26Å; W32-Q36 WeakPolarHBondContact O-CG 3.33Å; W32-Q36 PolarHBondContact O-N 2.94Å; W32-Q36 VanDerWaalsContact O-N 3.09Å; K33-Q36 PolarHBondContact O-N 3.05Å; E34-Q36 VanDerWaalsContact C-N 3.3Å; E34-Q36 PolarHBondContact O-N 2.94Å; Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 2.9Å
37E85.9Confident80.3Confident107 Ų10795.5 Ų95.550%0.549%0.486SS..Hα-helixtrans-68.7-43.3174.1-74.8172-169.600111.2K33 E34 K40 A41K33-E37 WeakPolarHBondContact CE-OE1 3.34Å; K33-E37 IonicContact NZ-OE1 3.97Å; K33-E37 PolarHBondContact O-N 3.38Å; E34-E37 PolarHBondContact O-N 3.11Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.21Å; E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.15Å
38L89.2Confident80.7Confident89 Ų8992.7 Ų92.747%0.46647%0.466SS..Hα-helixtrans-61.4-45.1172.1-72.7169.9000112.3I30 E34 K40 A41 M42I30-L38 HydrophobicContact CD1-CD1 3.77Å; E34-L38 HydrophobicContact CG-CD1 4.37Å; E34-L38 WeakPolarHBondContact O-CB 3.4Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.49Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.08Å; L38-A41 PolarHBondContact O-N 2.94Å; L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.48Å
39R86.6Confident80.6Confident82 Ų8291.7 Ų91.731%0.30946%0.458SS..Hα-helixtrans-59.5-39175-76168.7177.3-159.47.9112E35 Y43E35-R39 VanDerWaalsContact CD-NE 3.27Å; E35-R39 VanDerWaalsContact CD-NH2 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.38Å; E35-R39 WeakPolarHBondContact O-CD 3.41Å; E35-R39 WeakPolarHBondContact O-CG 3.12Å; E35-R39 PolarHBondContact O-N 3.13Å; E35-R39 IonicContact OE1-CZ 3.39Å; E35-R39 IonicContact OE1-NE 2.82Å; E35-R39 PolarHBondContact OE1-NE 3.1Å; E35-R39 IonicContact OE1-NH2 3.33Å; E35-R39 PolarHBondContact OE1-NH2 3.49Å; E35-R39 IonicContact OE2-CZ 2.67Å; E35-R39 IonicContact OE2-NE 3.59Å; E35-R39 IonicContact OE2-NH2 3.19Å; E35-R39 PolarHBondContact OE2-NH2 3.16Å; R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.29Å
40K89Confident79.7Confident142 Ų14294.7 Ų94.762%0.61746%0.456SS*.Hα-helixtrans-66.7-46.9173.4-77.6175.7-180177.80111.8Q36 E37 L38 Y43 V44Q36-K40 WeakPolarHBondContact O-CG 3.47Å; Q36-K40 PolarHBondContact O-N 2.9Å; E37-K40 WeakPolarHBondContact O-CB 3.38Å; E37-K40 PolarHBondContact O-N 3.21Å; L38-K40 VanDerWaalsContact C-N 3.3Å; L38-K40 PolarHBondContact O-N 3.08Å; K40-Y43 PolarHBondContact O-N 3.15Å; K40-Y43 VanDerWaalsContact O-N 3.16Å; K40-V44 WeakPolarHBondContact O-CG2 3.4Å; K40-V44 PolarHBondContact O-N 2.84Å
41A84.5Confident78.7Confident52 Ų5299.4 Ų99.443%0.4348%0.477SS..Hα-helixtrans-58.4-49.9179.300000111.4E37 L38 Y43 V44 S45E37-A41 WeakPolarHBondContact O-CB 3.45Å; E37-A41 PolarHBondContact O-N 3.15Å; L38-A41 PolarHBondContact O-N 2.94Å; A41-Y43 VanDerWaalsContact C-N 3.29Å; A41-Y43 PolarHBondContact O-N 3.3Å; A41-V44 PolarHBondContact O-N 3.02Å; A41-S45 PolarHBondContact O-N 3.39Å; A41-S45 PolarHBondContact O-OG 2.81Å
42M83.8Confident77.3Confident119 Ų119101.5 Ų101.559%0.58649%0.488SS*.Hα-helixtrans-57.9-40.2174.8-67.8-165-49.500112.5L38 S45 L46L38-M42 WeakPolarHBondContact O-CG 3.5Å; L38-M42 PolarHBondContact O-N 3.48Å; M42-S45 PolarHBondContact O-N 3.34Å; M42-L46 VanDerWaalsContact O-CB 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.48Å; M42-L46 VanDerWaalsContact O-CG 3.25Å; M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.13Å
43Y81.4Confident76.1Confident103 Ų10397 Ų9740%0.40448%0.477SS..Hα-helixtrans-68.5-35.4179.5-171.2-103.3000112.7R39 K40 A41 R47R39-Y43 WeakPolarHBondContact O-CB 3.46Å; R39-Y43 PolarHBondContact O-N 3.29Å; K40-Y43 PolarHBondContact O-N 3.15Å; K40-Y43 VanDerWaalsContact O-N 3.16Å; A41-Y43 VanDerWaalsContact C-N 3.29Å; A41-Y43 PolarHBondContact O-N 3.3Å; Y43-R47 HydrophobicContact CE1-CG 4.38Å; Y43-R47 WeakPolarHBondContact O-CG 3.4Å; Y43-R47 PolarHBondContact O-N 2.89Å; Y43-R47 VanDerWaalsContact O-N 3.13Å; Y43-R47 PolarHBondContact OH-NE 3.48Å; Y43-R47 PolarHBondContact OH-NH2 3.4Å
44V77.8Confident74.6Confident77 Ų7794.1 Ų94.147%0.46748%0.475SS..Hα-helixtrans-67.2-52.6172.2173.20000110K40 A41 L46 R47 D48K40-V44 WeakPolarHBondContact O-CG2 3.4Å; K40-V44 PolarHBondContact O-N 2.84Å; A41-V44 PolarHBondContact O-N 3.02Å; V44-L46 VanDerWaalsContact C-N 3.28Å; V44-L46 PolarHBondContact O-N 2.72Å; V44-R47 WeakPolarHBondContact O-CA 3.38Å; V44-R47 WeakPolarHBondContact O-CB 3.49Å; V44-R47 PolarHBondContact O-N 2.82Å; V44-D48 WeakPolarHBondContact CG1-OD2 3.36Å; V44-D48 VanDerWaalsContact O-CG 3.26Å; V44-D48 PolarHBondContact O-N 2.72Å
45S76.8Confident73Confident73 Ų7397.3 Ų97.351%0.5149%0.494SS..Hα-helixtrans-57.8-37.7178.3-56.70000113.3A41 M42 D48 Q49A41-S45 PolarHBondContact O-N 3.39Å; A41-S45 PolarHBondContact O-OG 2.81Å; M42-S45 PolarHBondContact O-N 3.34Å; S45-D48 PolarHBondContact O-N 2.86Å; S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.16Å
46L75.1Confident71.4Confident90 Ų9096.9 Ų96.947%0.47150%0.497SS..Hα-helixtrans-69.2-32174.3-75.7168.6000113M42 V44 Q50M42-L46 VanDerWaalsContact O-CB 3.31Å; M42-L46 WeakPolarHBondContact O-CB 3.48Å; M42-L46 VanDerWaalsContact O-CG 3.25Å; M42-L46 WeakPolarHBondContact O-CG 3.49Å; M42-L46 PolarHBondContact O-N 3.13Å; V44-L46 VanDerWaalsContact C-N 3.28Å; V44-L46 PolarHBondContact O-N 2.72Å; L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.15Å
47R73.1Confident69.7Low131 Ų13196.5 Ų96.549%0.49450%0.501SS..Hα-helixtrans-71.2-43.6172.2-82-170.7175-152.93.8111.7Y43 V44 Q49 Q50 Q51Y43-R47 HydrophobicContact CE1-CG 4.38Å; Y43-R47 WeakPolarHBondContact O-CG 3.4Å; Y43-R47 PolarHBondContact O-N 2.89Å; Y43-R47 VanDerWaalsContact O-N 3.13Å; Y43-R47 PolarHBondContact OH-NE 3.48Å; Y43-R47 PolarHBondContact OH-NH2 3.4Å; V44-R47 WeakPolarHBondContact O-CA 3.38Å; V44-R47 WeakPolarHBondContact O-CB 3.49Å; V44-R47 PolarHBondContact O-N 2.82Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.37Å; R47-Q50 CarbonylContact O-C 3.58Å; R47-Q50 PolarHBondContact O-N 2.9Å; R47-Q51 WeakPolarHBondContact O-CG 3.38Å; R47-Q51 PolarHBondContact O-N 3.06Å
48D68Low68Low82 Ų8296.6 Ų96.644%0.43951%0.511SS..Hα-helixtrans-64.7-37.3178-58.1-19.2000110.3V44 S45 Q51 T52V44-D48 WeakPolarHBondContact CG1-OD2 3.36Å; V44-D48 VanDerWaalsContact O-CG 3.26Å; V44-D48 PolarHBondContact O-N 2.72Å; S45-D48 PolarHBondContact O-N 2.86Å; D48-Q51 PolarHBondContact O-N 3.35Å; D48-T52 WeakPolarHBondContact O-CB 3.41Å; D48-T52 WeakPolarHBondContact O-CG2 3.5Å; D48-T52 PolarHBondContact O-N 3.15Å; D48-T52 PolarHBondContact O-OG1 2.9Å
49Q65.1Low66Low113 Ų11396 Ų9653%0.52851%0.513SS..Hα-helixtrans-66-35.5171.1-164.8173.532.100112.4S45 R47 T52 N53S45-Q49 VanDerWaalsContact O-CB 3.27Å; S45-Q49 WeakPolarHBondContact O-CB 3.31Å; S45-Q49 PolarHBondContact O-N 3.16Å; R47-Q49 VanDerWaalsContact C-N 3.27Å; R47-Q49 PolarHBondContact O-N 3.37Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.37Å; Q49-T52 PolarHBondContact O-OG1 3.12Å; Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 VanDerWaalsContact O-N 3.1Å; Q49-N53 PolarHBondContact O-ND2 2.76Å
50Q59Low64.2Low123 Ų12396.6 Ų96.658%0.57552%0.523SS*.Hα-helixtrans-73.1-32.8174.3-76.7175.720.500113.1L46 R47 S54L46-Q50 WeakPolarHBondContact O-CG 3.38Å; L46-Q50 PolarHBondContact O-N 3.15Å; R47-Q50 CarbonylContact O-C 3.58Å; R47-Q50 PolarHBondContact O-N 2.9Å; Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.73Å; Q50-S54 PolarHBondContact O-OG 3.2Å
51Q58Low62.4Low132 Ų13295.4 Ų95.462%0.61752%0.519SS*.Hα-helixtrans-74.9-32.7175.1-70.8-179.112.400112.7R47 D48 N53 S54R47-Q51 WeakPolarHBondContact O-CG 3.38Å; R47-Q51 PolarHBondContact O-N 3.06Å; D48-Q51 PolarHBondContact O-N 3.35Å; Q51-N53 VanDerWaalsContact C-N 3.35Å; Q51-S54 PolarHBondContact O-OG 3.19Å
52T56.8Low60.9Low101 Ų10197.6 Ų97.662%0.6252%0.523SS*.Hα-helixtrans-77.4-20.4173.2480000113.2D48 Q49D48-T52 WeakPolarHBondContact O-CB 3.41Å; D48-T52 WeakPolarHBondContact O-CG2 3.5Å; D48-T52 PolarHBondContact O-N 3.15Å; D48-T52 PolarHBondContact O-OG1 2.9Å; Q49-T52 WeakPolarHBondContact CA-OG1 3.37Å; Q49-T52 PolarHBondContact O-OG1 3.12Å
53N54.1Low59.2Low79 Ų7996.5 Ų96.542%0.42252%0.518SS..Hα-helixtrans-103.6-0.7175.3-68.4-76.4000114.8Q49 Q51 D55 S56Q49-N53 WeakPolarHBondContact O-CB 3.24Å; Q49-N53 PolarHBondContact O-N 3.4Å; Q49-N53 VanDerWaalsContact O-N 3.1Å; Q49-N53 PolarHBondContact O-ND2 2.76Å; Q51-N53 VanDerWaalsContact C-N 3.35Å; N53-D55 PolarHBondContact O-N 2.72Å; N53-S56 WeakPolarHBondContact CA-OG 3.34Å; N53-S56 WeakPolarHBondContact CB-OG 3.42Å; N53-S56 CarbonylContact O-C 3.51Å; N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 VanDerWaalsContact O-N 3.11Å; N53-S56 PolarHBondContact O-OG 2.67Å; N53-S56 PolarHBondContact OD1-OG 2.92Å
54S52.4Low57.9Low85 Ų8595 Ų9559%0.59452%0.519SS*.SBendtrans-67.4-23.4174.941.70000113.2Q50 Q51Q50-S54 WeakPolarHBondContact O-CB 3.47Å; Q50-S54 PolarHBondContact O-N 2.73Å; Q50-S54 PolarHBondContact O-OG 3.2Å; Q51-S54 PolarHBondContact O-OG 3.19Å
55D48.4Very low56.5Low153 Ų15395.7 Ų95.782%0.81852%0.52SS*.SBendtrans-87.9-15.2172.3-62.1-27.8000112.6N53N53-D55 PolarHBondContact O-N 2.72Å
56S50.7Low55.1Low42 Ų42100.3 Ų100.329%0.29453%0.526SS..SBendtrans-100.981.9175.1640000110.7N53N53-S56 WeakPolarHBondContact CA-OG 3.34Å; N53-S56 WeakPolarHBondContact CB-OG 3.42Å; N53-S56 CarbonylContact O-C 3.51Å; N53-S56 PolarHBondContact O-N 3.31Å; N53-S56 VanDerWaalsContact O-N 3.11Å; N53-S56 PolarHBondContact O-OG 2.67Å; N53-S56 PolarHBondContact OD1-OG 2.92Å
57S47.5Very low53.8Low52 Ų52101.8 Ų101.836%0.36453%0.529SS..  trans-38.6126.1170.1167.10000110.9C59 N60 H61S57-C59 PolarHBondContact O-N 3.08Å; S57-C59 PolarHBondContact OG-N 2.63Å; S57-N60 WeakPolarHBondContact O-CA 3.45Å; S57-N60 VanDerWaalsContact O-CB 3.31Å; S57-N60 WeakPolarHBondContact O-CB 3.44Å; S57-N60 PolarHBondContact O-N 2.69Å; S57-H61 PolarHBondContact O-N 3.46Å
58P51.8Low52.7Low109 Ų109102 Ų10271%0.70854%0.535SS*.Hα-helixtrans-60.6-22.1-17721.5-32.1000112.4N60 H61 L62P58-N60 VanDerWaalsContact C-N 3.34Å; P58-H61 PolarHBondContact O-N 3.45Å; P58-L62 PolarHBondContact O-N 2.91Å; P58-L62 VanDerWaalsContact O-N 3.17Å
59C45.2Very low51.6Low76 Ų76105.1 Ų105.151%0.51455%0.551SS.*Hα-helixtrans-63.3-37.8170.9-158.30000112.3S57 L62 M63S57-C59 PolarHBondContact O-N 3.08Å; S57-C59 PolarHBondContact OG-N 2.63Å; C59-L62 PolarHBondContact O-N 3.38Å; C59-M63 WeakPolarHBondContact O-CB 3.33Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.01Å
60N48.9Very low51Low95 Ų95105.4 Ų105.451%0.50856%0.561SS.*Hα-helixtrans-68.8-36.7178-64.6-8.6000111.6S57 P58 M63 T64S57-N60 WeakPolarHBondContact O-CA 3.45Å; S57-N60 VanDerWaalsContact O-CB 3.31Å; S57-N60 WeakPolarHBondContact O-CB 3.44Å; S57-N60 PolarHBondContact O-N 2.69Å; P58-N60 VanDerWaalsContact C-N 3.34Å; N60-M63 PolarHBondContact O-N 3.02Å; N60-T64 WeakPolarHBondContact O-CB 3.13Å; N60-T64 PolarHBondContact O-N 3.41Å; N60-T64 PolarHBondContact O-OG1 3.19Å
61H52.1Low50.3Low117 Ų117107.4 Ų107.454%0.54257%0.567SS.*Hα-helixtrans-68.9-41.9177.6-156.873.3000111.6S57 P58 T64 L65S57-H61 PolarHBondContact O-N 3.46Å; P58-H61 PolarHBondContact O-N 3.45Å; H61-T64 PolarHBondContact O-N 3.47Å; H61-L65 PolarHBondContact O-N 2.9Å; H61-L65 VanDerWaalsContact O-N 3.07Å
62L53.9Low49.7Very low98 Ų98109 Ų10951%0.51358%0.575SS.*Hα-helixtrans-65.3-38.2174.8-123.7160000112.5P58 C59 R66P58-L62 PolarHBondContact O-N 2.91Å; P58-L62 VanDerWaalsContact O-N 3.17Å; C59-L62 PolarHBondContact O-N 3.38Å; L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 2.85Å; L62-R66 VanDerWaalsContact O-N 3.16Å
63M46.8Very low48.9Very low96 Ų96109.3 Ų109.347%0.47358%0.579SS.*Hα-helixtrans-61.7-46.4169.4-77.5-66.1-168.500111.6C59 N60 L65 R66 F67C59-M63 WeakPolarHBondContact O-CB 3.33Å; C59-M63 WeakPolarHBondContact O-CG 3.39Å; C59-M63 PolarHBondContact O-N 3.01Å; N60-M63 PolarHBondContact O-N 3.02Å; M63-L65 PolarHBondContact O-N 3.17Å; M63-R66 PolarHBondContact O-N 3.26Å; M63-R66 VanDerWaalsContact O-N 3.15Å; M63-F67 HydrophobicContact CB-CD2 4.21Å; M63-F67 HydrophobicContact CB-CE2 4.17Å; M63-F67 WeakPolarHBondContact O-CD2 3.41Å; M63-F67 PolarHBondContact O-N 2.72Å; M63-F67 HydrophobicContact SD-CE2 3.81Å; M63-F67 HydrophobicContact SD-CZ 4.48Å
64T54.1Low48.1Very low71 Ų71110.8 Ų110.844%0.43660%0.595SS.*Hα-helixtrans-60.9-43.7-176.7-57.60000111.8N60 H61 F67 Q68N60-T64 WeakPolarHBondContact O-CB 3.13Å; N60-T64 PolarHBondContact O-N 3.41Å; N60-T64 PolarHBondContact O-OG1 3.19Å; H61-T64 PolarHBondContact O-N 3.47Å; T64-F67 PolarHBondContact O-N 3.31Å; T64-Q68 WeakPolarHBondContact O-CG 3.32Å; T64-Q68 PolarHBondContact O-N 2.8Å
65L49.8Very low47.5Very low91 Ų91114.2 Ų114.248%0.47661%0.605SS.*Hα-helixtrans-66.4-38.3175.7-69.3170.8000112.5H61 M63 Q68 L69H61-L65 PolarHBondContact O-N 2.9Å; H61-L65 VanDerWaalsContact O-N 3.07Å; M63-L65 PolarHBondContact O-N 3.17Å; L65-Q68 PolarHBondContact O-N 2.98Å; L65-L69 PolarHBondContact O-N 2.64Å
66R46.6Very low46.8Very low170 Ų170112.2 Ų112.264%0.64260%0.603SS**Hα-helixtrans-67.3-38.6175-74.1178.2177.7-174.50.5112.4L62 M63 L69 V70L62-R66 WeakPolarHBondContact O-CB 3.19Å; L62-R66 WeakPolarHBondContact O-CG 3.5Å; L62-R66 PolarHBondContact O-N 2.85Å; L62-R66 VanDerWaalsContact O-N 3.16Å; M63-R66 PolarHBondContact O-N 3.26Å; M63-R66 VanDerWaalsContact O-N 3.15Å; R66-L69 PolarHBondContact O-N 2.87Å; R66-V70 WeakPolarHBondContact O-CG2 3.22Å; R66-V70 PolarHBondContact O-N 3.07Å
67F47.1Very low46Very low122 Ų122113.3 Ų113.354%0.53562%0.621SS.*Hα-helixtrans-72.9-28.3176.8-76-63.1000113.5M63 T64 V70 K71M63-F67 HydrophobicContact CB-CD2 4.21Å; M63-F67 HydrophobicContact CB-CE2 4.17Å; M63-F67 WeakPolarHBondContact O-CD2 3.41Å; M63-F67 PolarHBondContact O-N 2.72Å; M63-F67 HydrophobicContact SD-CE2 3.81Å; M63-F67 HydrophobicContact SD-CZ 4.48Å; T64-F67 PolarHBondContact O-N 3.31Å; F67-V70 PolarHBondContact O-N 2.93Å; F67-K71 WeakPolarHBondContact O-CB 3.21Å; F67-K71 WeakPolarHBondContact O-CG 3.22Å; F67-K71 PolarHBondContact O-N 3.15Å
68Q51Low45.4Very low134 Ų134117.1 Ų117.163%0.62664%0.644SS**Hα-helixtrans-71.1-32.8173.5-75.9179.22.100113T64 L65T64-Q68 WeakPolarHBondContact O-CG 3.32Å; T64-Q68 PolarHBondContact O-N 2.8Å; L65-Q68 PolarHBondContact O-N 2.98Å
69L44.2Very low44.5Very low148 Ų148116.9 Ų116.978%0.77565%0.645SS**Hα-helixtrans-73.7-25.3173.3-91.7153.9000113.7L65 R66L65-L69 PolarHBondContact O-N 2.64Å; R66-L69 PolarHBondContact O-N 2.87Å
70V51.7Low43.8Very low119 Ų119118.3 Ų118.372%0.72166%0.656SS**Hα-helixtrans-90.9-23.9178.71760000112.5R66 F67 Q72R66-V70 WeakPolarHBondContact O-CG2 3.22Å; R66-V70 PolarHBondContact O-N 3.07Å; F67-V70 PolarHBondContact O-N 2.93Å; V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.01Å
71K45.8Very low43.3Very low165 Ų165120.7 Ų120.772%0.71767%0.674SS**  trans-90.448173.4-69.6-173.1175.7-174.50113.1F67F67-K71 WeakPolarHBondContact O-CB 3.21Å; F67-K71 WeakPolarHBondContact O-CG 3.22Å; F67-K71 PolarHBondContact O-N 3.15Å
72Q45.6Very low42.4Very low167 Ų167125.1 Ų125.178%0.7869%0.692SS**  trans-62.5130.5155.1-81.6-157.5-12.300108V70 S74V70-Q72 VanDerWaalsContact C-N 3.32Å; V70-Q72 PolarHBondContact O-N 3.01Å; Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.16Å
73P40Very low41.8Very low107 Ų107128.7 Ų128.770%0.69571%0.711SS**  trans-64.1120.917626.3-32.4000108.5I75P73-I75 VanDerWaalsContact C-N 3.34Å; P73-I75 PolarHBondContact O-N 3.37Å
74S35.7Very low41.1Very low109 Ų109129.5 Ų129.576%0.76273%0.725SS**  trans-64.695.1167.3510000108.4Q72 S76Q72-S74 PolarHBondContact O-N 3.14Å; Q72-S74 VanDerWaalsContact O-N 3.16Å; S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.89Å
75I40.1Very low40.3Very low158 Ų158134.2 Ų134.281%0.8175%0.747SS**  trans-70.889.6178.2-54.8176.9000108.1P73 G77P73-I75 VanDerWaalsContact C-N 3.34Å; P73-I75 PolarHBondContact O-N 3.37Å; I75-G77 PolarHBondContact O-N 3.23Å
76S34.2Very low39.5Very low111 Ų111134.4 Ų134.478%0.77676%0.762SS**  trans-89.399.4-178.957.30000111.8S74S74-S76 VanDerWaalsContact C-N 3.3Å; S74-S76 PolarHBondContact O-N 2.89Å
77G33.1Very low39.3Very low64 Ų64136 Ų13666%0.6677%0.773SS**  trans86176.9157.600000117.6I75I75-G77 PolarHBondContact O-N 3.23Å
78P36.2Very low38.9Very low133 Ų133136 Ų13686%0.86479%0.786SS**  cis-108.5-170.8-7.839.4-28.6000113
79S32.1Very low38Very low104 Ų104141.1 Ų141.173%0.72780%0.799SS**  trans-64.1156.8-173.249.60000116.8
80S30.7Very low37.8Very low105 Ų105139.3 Ų139.373%0.73480%0.799SS**  trans60.8103.1156.4640000119
81T38.3Very low37Very low145 Ų145139.3 Ų139.389%0.8980%0.799SS**  -155.3134.3122.84.10000110L83T81-L83 PolarHBondContact O-N 2.9Å
82K33.8Very low36.7Very low210 Ų210138 Ų13891%0.91380%0.799SS**  trans-74.6111.2176.5-70.6173.4177.3173.90109.1
83L39.9Very low36.3Very low174 Ų174136.8 Ų136.891%0.91179%0.793SS**  trans-129.8129.6154-78.3176.3000109.3T81T81-L83 PolarHBondContact O-N 2.9Å
84S34.2Very low36.2Very low112 Ų112141 Ų14178%0.78380%0.801SS**  trans-95.1156.8-167.148.90000112.4
85L35.3Very low36.4Very low171 Ų171143.5 Ų143.590%0.89580%0.798SS**  trans71.789.5144-155.474.7000118.9
86A34.5Very low36.3Very low94 Ų94144.9 Ų144.978%0.77780%0.801SS**  -161.7112.1124.800000110.5P88A86-P88 WeakPolarHBondContact O-CD 3.44Å
87K41Very low36.3Very low203 Ų203143.8 Ų143.888%0.88380%0.799SS**  trans-95.5114.7171.2-79.2179.6176.1174.90109.7R89K87-R89 PolarHBondContact O-N 2.9Å
88P40.4Very low36.5Very low124 Ų124152.3 Ų152.381%0.80581%0.811SS**  trans-73.1115.316129.2-30.2000109A86A86-P88 WeakPolarHBondContact O-CD 3.44Å
89R32Very low36.9Very low240 Ų240155.2 Ų155.291%0.90681%0.81SS**  trans-75.7122.3167.3-88.2173.4151.3152.6-9.4109K87K87-R89 PolarHBondContact O-N 2.9Å
90S38.5Very low37.2Very low110 Ų110158.3 Ų158.377%0.76981%0.813SS**  trans-135.4117.9149.860.90000109.5I92S90-I92 PolarHBondContact O-N 2.69Å
91T34.7Very low37.6Very low119 Ų119160.9 Ų160.973%0.7382%0.817SS**  trans-89101.2-173.2-54.60000109.5Q93T91-Q93 HydrophobicContact CG2-CG 4.07Å; T91-Q93 PolarHBondContact O-N 3.14Å
92I39.8Very low37.4Very low137 Ų137164 Ų16470%0.70381%0.812SS**  trans-83107169.1-60.9176.8000108.3S90 F94S90-I92 PolarHBondContact O-N 2.69Å; I92-F94 HydrophobicContact CG2-CD2 3.49Å; I92-F94 VanDerWaalsContact CG2-CD2 3.49Å; I92-F94 HydrophobicContact CG2-CE2 4.08Å; I92-F94 HydrophobicContact CG2-CG 4.46Å
93Q37.1Very low37.5Very low143 Ų143158.2 Ų158.267%0.66880%0.798SS**  trans-104.485.1164-71.9-142.237.500110.6T91T91-Q93 HydrophobicContact CG2-CG 4.07Å; T91-Q93 PolarHBondContact O-N 3.14Å
94F39.3Very low37.4Very low196 Ų196158.7 Ų158.786%0.8679%0.793SS**  trans-93.681.6156.9-78.7-70.3000109.3I92I92-F94 HydrophobicContact CG2-CD2 3.49Å; I92-F94 VanDerWaalsContact CG2-CD2 3.49Å; I92-F94 HydrophobicContact CG2-CE2 4.08Å; I92-F94 HydrophobicContact CG2-CG 4.46Å
95K40.3Very low37.4Very low161 Ų161162.5 Ų162.570%0.780%0.796SS**  trans-81.1118.5154-70.7-177.6-179.2179.10106.8
96H37.3Very low37.4Very low186 Ų186160.7 Ų160.786%0.86179%0.791SS**  179.9133.1127.9-97.3-70000112.9
97A34.6Very low37.3Very low89 Ų89161.8 Ų161.874%0.73679%0.793SS**  trans56.968.9148.700000120.3K99A97-K99 PolarHBondContact O-N 3.33Å
98R36.8Very low36.8Very low243 Ų243155.3 Ų155.392%0.91778%0.784SS**  trans-87.290149.9-160.7175.4-166.3173.74.3109.3Q100R98-Q100 PolarHBondContact O-N 2.85Å; R98-Q100 VanDerWaalsContact O-N 3.13Å
99K43.6Very low36.5Very low194 Ų194156.6 Ų156.684%0.84378%0.784SS**  trans-60.8113172.5-83.4-176.4174.31790109.4A97 I101A97-K99 PolarHBondContact O-N 3.33Å; K99-I101 PolarHBondContact O-N 3.11Å
100Q39.8Very low36.5Very low168 Ų168150.5 Ų150.579%0.78577%0.774SS**  trans-75.9109.4166.7-71.1-170.45.700109.1R98 R102R98-Q100 PolarHBondContact O-N 2.85Å; R98-Q100 VanDerWaalsContact O-N 3.13Å; Q100-R102 PolarHBondContact O-N 2.96Å
101I38.9Very low36.1Very low159 Ų159152.9 Ų152.982%0.81578%0.776SS**  trans-84.399.1162.1-62.6177.4000106.8K99 S103K99-I101 PolarHBondContact O-N 3.11Å; I101-S103 PolarHBondContact O-N 3.22Å; I101-S103 VanDerWaalsContact O-N 3.17Å
102R33Very low36Very low210 Ų210156.5 Ų156.579%0.79278%0.782SS**  trans-70.799.8167.1-90.9178.7154.1-173.5-6.6108.6Q100Q100-R102 PolarHBondContact O-N 2.96Å
103S36.2Very low35.7Very low89 Ų89154.7 Ų154.762%0.62278%0.782SS**  trans-76.7118.9158.8-174.50000108.8I101 F105I101-S103 PolarHBondContact O-N 3.22Å; I101-S103 VanDerWaalsContact O-N 3.17Å; S103-F105 WeakPolarHBondContact OG-CD2 3.35Å; S103-F105 WeakPolarHBondContact OG-CE2 3.45Å
104K37.4Very low35.4Very low185 Ų185157.3 Ų157.380%0.80479%0.791SS**  trans-90.6111.6168.6-69.8-176.2-179.5-179.40107.6
105F35.8Very low35.1Very low191 Ų191155.2 Ų155.284%0.83880%0.795SS**  trans-104147.4159.2-87.6-76.9000111.2S103S103-F105 WeakPolarHBondContact OG-CD2 3.35Å; S103-F105 WeakPolarHBondContact OG-CE2 3.45Å
106V34.3Very low34.6Very low133 Ų133158 Ų15881%0.80680%0.801SS**  trans-82.4144.9-155.7171.30000112.6
107S32.3Very low34.6Very low117 Ų117156 Ų15682%0.81880%0.796SS**  trans-18.4136.7159.5-172.60000117.2
108G31.8Very low34.5Very low67 Ų67156 Ų15669%0.69180%0.796SS**  trans-172.178.9172.600000114.8
109N32.8Very low34.4Very low151 Ų151148.9 Ų148.981%0.80778%0.784SS**  trans74.395.8155.4-60.5-3.2000121.2
110T32Very low33.9Very low113 Ų113147.7 Ų147.769%0.69378%0.781SS**  53.1108.3123.1-5.50000120.8F112T110-F112 HydrophobicContact CG2-CD2 3.84Å; T110-F112 HydrophobicContact CG2-CE2 4.07Å
111I30.2Very low33.6Very low159 Ų159151.1 Ų151.182%0.81579%0.787SS**  trans-85.3137.3152.1-62.5166000108.1
112F33.1Very low33.4Very low195 Ų195149.1 Ų149.186%0.85579%0.788SS**  trans-131.5151.6159.9-107.7-81.2000111.8T110T110-F112 HydrophobicContact CG2-CD2 3.84Å; T110-F112 HydrophobicContact CG2-CE2 4.07Å
113S33.1Very low33.8Very low99 Ų99144.5 Ų144.569%0.69279%0.785SS**  trans-96.1135-158.4-58.50000114.2
114K30.1Very low34Very low199 Ų199147.6 Ų147.687%0.86579%0.794SS**  34.7106124.5-171.6-172.7-171.4179.40117.8
115T33.9Very low34.1Very low151 Ų151147.4 Ų147.493%0.92679%0.793SS**  trans-162.2168.8134.815.90000114.2
116R30.4Very low34.3Very low219 Ų219147.4 Ų147.483%0.82680%0.796SS**  trans-94.6173.9-162.2-161.8-171.3-170.3160.20.3112.8
117N35.8Very low34.3Very low144 Ų144146.6 Ų146.677%0.7779%0.791SS**  trans87.1147.5165.7-46.3-23.5000114.5
118A33.7Very low34.5Very low89 Ų89150.8 Ų150.874%0.73680%0.795SS**  cis172.9170.4-18.500000106.1
119S33.4Very low34.8Very low95 Ų95155.1 Ų155.166%0.66480%0.795SS**  trans76.6112.4167.9-91.90000121.4
120E33.1Very low34.9Very low168 Ų168154.1 Ų154.179%0.78580%0.798SS**  66.8105.1120.2-63.6169.312700122
121R34.6Very low34.9Very low240 Ų240154.3 Ų154.391%0.90680%0.795SS**  173.2111.2106.2-90.9167.6-177.9-162.7-0.6107.7
122S35.3Very low35.4Very low118 Ų118152.8 Ų152.883%0.82580%0.798SS**  85.213280.8-169.30000111.6
123P41.4Very low35.4Very low113 Ų113151.3 Ų151.373%0.73480%0.799SS**  trans-106.3169.3-153.840.7-35000114
124D39.4Very low35.7Very low153 Ų153152 Ų15282%0.81880%0.804SS**  trans-139.7160.6151.2-115-40.2000112.8
125K40.4Very low36Very low181 Ų181149.9 Ų149.979%0.78780%0.802SS**  trans-93.5152.2-159.1-55.4143.3-178.81630112.4
126E38.8Very low36.3Very low192 Ų192152.4 Ų152.490%0.89780%0.8SS**  trans-151143.2130.2-121.8169.1-15400111.4
127V34.4Very low36.7Very low115 Ų115148.1 Ų148.170%0.69780%0.799SS**  trans-126.6122.6-172.1171.40000108.5
128F37.4Very low36.8Very low205 Ų205148.7 Ų148.790%0.89980%0.802SS**  trans-136.3114.3156.7-95.1-80.3000110.8
129K36.8Very low37Very low159 Ų159151.2 Ų151.269%0.69181%0.808SS**  trans-108.7132.9166.5-99.9-173.8158.2-122.10108.2D131K129-D131 IonicContact NZ-OD2 2.69Å; K129-D131 PolarHBondContact NZ-OD2 2.96Å
130C35.5Very low36.9Very low129 Ų129155 Ų15587%0.87282%0.815SS**  trans-134.497.6154.3-70.70000108.8
131D31.4Very low37.1Very low118 Ų118151.8 Ų151.863%0.63181%0.811SS**  trans-85.1135166.2-69.7-60.2000108.8K129K129-D131 IonicContact NZ-OD2 2.69Å; K129-D131 PolarHBondContact NZ-OD2 2.96Å
132S40.9Very low37.2Very low126 Ų126146 Ų14688%0.88180%0.802SS**  trans-163.9103.3160.6-82.80000112.3
133N33.6Very low36.9Very low165 Ų165149.8 Ų149.888%0.88280%0.8SS**  trans-92137167.8-76.2-38.5000110.5
134S40.2Very low36.7Very low114 Ų114153.2 Ų153.280%0.79781%0.806SS**  trans-172.196.4149.240.10000115.9
135N36.4Very low36.2Very low154 Ų154151.9 Ų151.982%0.82480%0.799SS**  34.3143.8128.2-63.2-21.6000124.2
136K38.8Very low36Very low203 Ų203152 Ų15288%0.88380%0.802SS**  trans78.5138.5164-62.6172.4178.11780114.7
137T40.2Very low35.7Very low129 Ų129150.9 Ų150.979%0.79179%0.794SS**  cis-138.5157.434.342.10000115.4
138N36.3Very low35.6Very low156 Ų156154.1 Ų154.183%0.83480%0.802SS**  trans-76.7146.6166.6-74.7-11.4000111.5
139V38.4Very low35.2Very low142 Ų142153.3 Ų153.386%0.86179%0.794SS**  trans-136.7124.2147.3179.20000108
140E31.5Very low34.7Very low175 Ų175151.3 Ų151.382%0.81880%0.795SS**  trans-122.7123.2-180176.6176.5-174.700109
141S37.6Very low34.4Very low101 Ų101150.1 Ų150.171%0.70678%0.783SS**  trans-160.6109.1156.851.90000109.6
142T35.4Very low34.2Very low117 Ų117151.4 Ų151.472%0.71879%0.79SS**  92.996.380.3-57.50000112.9
143Y30.8Very low33.7Very low198 Ų198151 Ų15178%0.77678%0.783SS**  trans33.3117.2145.7-75.8-97.6000120.8
144E35.7Very low33.5Very low185 Ų185148.3 Ų148.386%0.86478%0.777SS**  -132.9147.4130-91.4-136.9128.900111.9
145N30.3Very low33.2Very low126 Ų126151.1 Ų151.167%0.67478%0.777SS**  trans-95.5112.8-167-77.5-86.5000112.3
146H35.3Very low32.9Very low183 Ų183150.7 Ų150.785%0.84778%0.775SS**  trans-124.3103.4158.3-82.2-60.2000112.9Q148H146-Q148 PolarHBondContact O-N 2.83Å
147K33.7Very low32.4Very low169 Ų169145.3 Ų145.374%0.73576%0.759SS**  trans-53.1114.5179.8-61.4171.3-179.9176.20111.4Y149K147-Y149 HydrophobicContact CB-CD2 4.37Å; K147-Y149 HydrophobicContact CB-CE2 4.41Å; K147-Y149 HydrophobicContact CD-CE2 4.45Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-Y149 VanDerWaalsContact O-N 3.11Å
148Q31.8Very low31.9Very low183 Ų183144 Ų14486%0.85576%0.755SS**  trans-66.7106.9152.2-96.4-176.6-15.900107.7H146 V150H146-Q148 PolarHBondContact O-N 2.83Å; Q148-V150 PolarHBondContact O-N 2.88Å
149Y27.8Very low31.9Very low188 Ų188143.9 Ų143.974%0.73775%0.749SS**  trans-65.599.8164.9-89.5-95.1000108.2K147 V151K147-Y149 HydrophobicContact CB-CD2 4.37Å; K147-Y149 HydrophobicContact CB-CE2 4.41Å; K147-Y149 HydrophobicContact CD-CE2 4.45Å; K147-Y149 PolarHBondContact O-N 3.48Å; K147-Y149 VanDerWaalsContact O-N 3.11Å; Y149-V151 PolarHBondContact O-N 2.94Å
150V28Very low31.4Very low116 Ų116143.9 Ų143.970%0.70374%0.743SS**  trans-65.885.1160.6-179.30000106.6Q148 N152Q148-V150 PolarHBondContact O-N 2.88Å; V150-N152 PolarHBondContact O-N 3.49Å
151V28Very low31.2Very low104 Ų104140.2 Ų140.263%0.6374%0.736SS**  trans-72.4100.1171-177.30000106.4Y149 T153Y149-V151 PolarHBondContact O-N 2.94Å; V151-T153 HydrophobicContact CG1-CG2 4Å; V151-T153 PolarHBondContact O-N 3.32Å
152N27.3Very low31.1Very low145 Ų145142.2 Ų142.278%0.77574%0.738SS**  trans-62.380.3166-71.7-22.9000109V150 S154V150-N152 PolarHBondContact O-N 3.49Å; N152-S154 PolarHBondContact O-N 3.32Å; N152-S154 VanDerWaalsContact O-N 3.13Å
153T30.3Very low30.8Very low118 Ų118146.9 Ų146.972%0.72474%0.742SS**  trans-69.4107.1163.548.70000106.9V151 Q155V151-T153 HydrophobicContact CG1-CG2 4Å; V151-T153 PolarHBondContact O-N 3.32Å; T153-Q155 PolarHBondContact O-N 2.78Å
154S30.5Very low30.8Very low108 Ų108143.3 Ų143.376%0.75574%0.736SS**  trans-50.9131.517839.80000110.3N152 N156N152-S154 PolarHBondContact O-N 3.32Å; N152-S154 VanDerWaalsContact O-N 3.13Å; S154-N156 PolarHBondContact O-N 3.37Å
155Q32.3Very low30.8Very low173 Ų173142.2 Ų142.281%0.80874%0.736SS**  trans-59.4106.3168.9-68.5177.5-8.100107.3T153 T157T153-Q155 PolarHBondContact O-N 2.78Å; Q155-T157 HydrophobicContact CB-CG2 4.23Å; Q155-T157 PolarHBondContact O-N 2.93Å
156N30.2Very low30.8Very low146 Ų146144.6 Ų144.678%0.78174%0.737SS**  trans-75.381.3175.4-167.7-8.2000108.1S154 S158S154-N156 PolarHBondContact O-N 3.37Å; N156-S158 PolarHBondContact O-N 3.19Å
157T30.2Very low30.6Very low89 Ų89144 Ų14455%0.54673%0.734SS.*  trans-70.877.2178.951.90000110Q155 H159Q155-T157 HydrophobicContact CB-CG2 4.23Å; Q155-T157 PolarHBondContact O-N 2.93Å; T157-H159 PolarHBondContact O-N 3.2Å
158S29.6Very low30.4Very low101 Ų101147.9 Ų147.971%0.70674%0.744SS**  trans-73.246.9165.152.20000111.6N156 I160N156-S158 PolarHBondContact O-N 3.19Å; S158-I160 PolarHBondContact O-N 2.81Å
159H35.1Very low30.3Very low154 Ų154150.8 Ų150.871%0.71375%0.747SS**  trans-6889.1158.5-69.3-58.3000107.6T157 C161T157-H159 PolarHBondContact O-N 3.2Å; H159-C161 PolarHBondContact O-N 3.21Å
160I27.8Very low30.4Very low142 Ų142148.9 Ų148.973%0.72875%0.749SS**  trans-67.984.7160.9-58-179.7000106.5S158 L162S158-I160 PolarHBondContact O-N 2.81Å; I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 HydrophobicContact CG2-CD2 3.96Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 2.96Å
161C27.6Very low30.7Very low99 Ų99148.7 Ų148.767%0.66975%0.751SS**  trans-64.492.2169.1-90.30000108.6H159 R163H159-C161 PolarHBondContact O-N 3.21Å; C161-R163 PolarHBondContact O-N 3.11Å
162L35.8Very low30.9Very low143 Ų143149.8 Ų149.875%0.74976%0.758SS**  trans-73.655.4162.6-63.9-178.6000110.7I160 L165I160-L162 VanDerWaalsContact C-N 3.31Å; I160-L162 HydrophobicContact CG2-CD2 3.96Å; I160-L162 HydrophobicContact CG2-CG 4.12Å; I160-L162 PolarHBondContact O-N 2.96Å; L162-L165 HydrophobicContact CD2-CD1 4.48Å
163R29.5Very low31.2Very low214 Ų214150 Ų15081%0.80876%0.759SS**  trans-87.9134152.9-92.8-179.2168.5146.9-2.9106.8C161C161-R163 PolarHBondContact O-N 3.11Å
164N29.8Very low31.3Very low123 Ų123152.9 Ų152.966%0.65876%0.764SS**  trans74.755.7169.2-47.1-14000116.7Y166N164-Y166 HydrophobicContact CB-CD2 4.27Å; N164-Y166 HydrophobicContact CB-CE2 3.97Å
165L36.4Very low31.3Very low163 Ų163155.1 Ų155.185%0.85377%0.766SS**  trans-100.594.3147.3-83.8171.9000109.4L162L162-L165 HydrophobicContact CD2-CD1 4.48Å
166Y29.4Very low31.4Very low176 Ų176152.8 Ų152.869%0.6976%0.759SS**  trans-64.9142.4-179.3-79.1-98.7000112.5N164 R168N164-Y166 HydrophobicContact CB-CD2 4.27Å; N164-Y166 HydrophobicContact CB-CE2 3.97Å; Y166-R168 PolarHBondContact O-N 2.54Å
167H31.5Very low31.7Very low169 Ų169151.8 Ų151.878%0.78276%0.758SS**  trans25.891.1151.1-53-48.9000118.4
168R30Very low32Very low251 Ų251153.8 Ų153.895%0.94777%0.765SS**  trans-122.2115.3139.1-83.8-163.7169.6-162-2.2110.7Y166 N170Y166-R168 PolarHBondContact O-N 2.54Å; R168-N170 PolarHBondContact O-N 3.33Å
169R29.5Very low32.1Very low244 Ų244157.3 Ų157.392%0.92178%0.777SS**  trans-61126.8176.1-66170169.6132.6-6.1109.4
170N29.5Very low32.1Very low148 Ų148158.1 Ų158.179%0.79178%0.78SS**  trans-115.9124146.5-86.5-40.7000106.2R168 T172R168-N170 PolarHBondContact O-N 3.33Å; N170-T172 PolarHBondContact O-N 3.12Å; N170-T172 VanDerWaalsContact O-N 3.11Å
171P33.7Very low32.3Very low112 Ų112159.1 Ų159.173%0.72779%0.786SS**  trans-72106.7-179.828.5-32.2000109.5N173P171-N173 PolarHBondContact O-N 3.3Å; P171-N173 VanDerWaalsContact O-N 3.15Å
172T32.5Very low32.7Very low128 Ų128159 Ų15979%0.78578%0.783SS**  trans-68.9107.9167.4-29.70000107.7N170 Q174N170-T172 PolarHBondContact O-N 3.12Å; N170-T172 VanDerWaalsContact O-N 3.11Å; T172-Q174 PolarHBondContact O-N 3.4Å
173N33.2Very low32.6Very low148 Ų148158.9 Ų158.979%0.79178%0.783SS**  trans-60.4100.2170.9-77.4-18.3000108.8P171 I175P171-N173 PolarHBondContact O-N 3.3Å; P171-N173 VanDerWaalsContact O-N 3.15Å; N173-I175 PolarHBondContact O-N 2.82Å; N173-I175 VanDerWaalsContact O-N 3.08Å
174Q32.2Very low33Very low180 Ų180155.5 Ų155.584%0.84178%0.78SS**  trans-72.399.1168.5-69.9-1716.800107.8T172 N176T172-Q174 PolarHBondContact O-N 3.4Å; Q174-N176 PolarHBondContact O-N 3.08Å
175I31.9Very low33.1Very low155 Ų155157.6 Ų157.680%0.79579%0.792SS**  trans-69.889.5162.6-61.3174.7000106N173N173-I175 PolarHBondContact O-N 2.82Å; N173-I175 VanDerWaalsContact O-N 3.08Å
176N34.4Very low33.2Very low123 Ų123154 Ų15466%0.65879%0.786SS**  trans-72.6126.3173.5-172.56.2000108.7Q174 N178Q174-N176 PolarHBondContact O-N 3.08Å; N176-N178 PolarHBondContact O-N 2.79Å
177V36.7Very low33.5Very low126 Ų126152.7 Ų152.776%0.76479%0.791SS**SBendtrans-8364.2-178-1670000109.1
178N36.5Very low33.8Very low130 Ų130153.5 Ų153.570%0.69579%0.792SS**SBendtrans-167.6118.9166.4-93-36.1000110.1N176 Q180N176-N178 PolarHBondContact O-N 2.79Å; N178-Q180 VanDerWaalsContact C-N 3.34Å; N178-Q180 PolarHBondContact O-N 3.05Å
179N31.6Very low34Very low176 Ų176149.5 Ų149.594%0.94178%0.784SS**  trans-72.779.1-179.7-70.5-17.4000111.8
180Q34.9Very low34Very low170 Ų170143.7 Ų143.779%0.79478%0.776SS**  trans-131110162.4-68.9-1643300110.4N178 V182N178-Q180 VanDerWaalsContact C-N 3.34Å; N178-Q180 PolarHBondContact O-N 3.05Å; Q180-V182 HydrophobicContact CB-CG2 4.39Å; Q180-V182 PolarHBondContact O-N 2.91Å
181L31.1Very low34.3Very low163 Ų163144.3 Ų144.385%0.85378%0.778SS**  trans-67.6113.7167.4-154.289.1000107
182V36.9Very low34.3Very low97 Ų97143.9 Ų143.959%0.58878%0.778SS**  trans-127.886.5173.1-176.20000107.4Q180 N184Q180-V182 HydrophobicContact CB-CG2 4.39Å; Q180-V182 PolarHBondContact O-N 2.91Å; V182-N184 VanDerWaalsContact CG1-ND2 3.33Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.45Å; V182-N184 PolarHBondContact O-N 3.42Å
183D34.3Very low34.2Very low140 Ų140142.8 Ų142.875%0.74978%0.776SS**  trans-65.7125.8160.7-70-50000107.9
184N37.5Very low34.3Very low143 Ų143140.4 Ų140.477%0.76577%0.771SS**  trans-128103.9170.9-95.1-46.7000108.4V182V182-N184 VanDerWaalsContact CG1-ND2 3.33Å; V182-N184 WeakPolarHBondContact CG1-ND2 3.45Å; V182-N184 PolarHBondContact O-N 3.42Å
185D31.3Very low34.2Very low167 Ų167139.1 Ų139.189%0.89377%0.769SS**  trans-54.7144.4173.2-86-58.7000112.9
186A37.5Very low34.3Very low88 Ų88140.5 Ų140.573%0.72777%0.773SS**  trans-14994159.600000111.4
187N35.7Very low34.1Very low149 Ų149140.4 Ų140.480%0.79778%0.777SS**  trans62.5103.3160.6-64.4-45.6000117.9
188K38.5Very low33.9Very low185 Ų185143.3 Ų143.380%0.80478%0.779SS**  -176.8128.395.7-95164.1-171.5-172.50114.6
189Q34.7Very low33.8Very low168 Ų168144.9 Ų144.979%0.78578%0.782SS**  trans76.494.1138-70.1177.8-22.500121.3
190T30.1Very low33.6Very low122 Ų122142 Ų14275%0.74877%0.771SS**  83.1131.3126.9110000122.5
191L35Very low33.6Very low160 Ų160141.8 Ų141.884%0.83878%0.775SS**  trans70.891.6160-51.5171.5000115.7
192S33.2Very low33.6Very low103 Ų103141.1 Ų141.172%0.7277%0.773SS**  85.7114.564.6-170.20000114.9
193S31.2Very low33.5Very low106 Ų106144.8 Ų144.874%0.74179%0.788SS**  trans56.4139.1152.5520000119.5
194S34.7Very low33.3Very low98 Ų98143 Ų14369%0.68579%0.787SS**  cis-170.5152.4-4.641.90000109.5
195D30.9Very low33.2Very low152 Ų152144.1 Ų144.181%0.81379%0.791SS**  trans30.3123.1148.6-46.8-35.1000121.2
196E34.3Very low33Very low185 Ų185143.3 Ų143.386%0.86479%0.787SS**  -165.9138.8111-106.9180-176.100113
197T28.6Very low32.9Very low121 Ų121144.4 Ų144.474%0.74279%0.787SS**  trans-78.6156175.430.70000113.2
198F33.2Very low32.7Very low187 Ų187142.5 Ų142.582%0.8278%0.781SS**  trans-160.4152.3135.5-97.3-63.8000114.6
199E33.5Very low32.2Very low162 Ų162139.3 Ų139.376%0.75778%0.782SS**  trans-36.9137-176.5-69.5169.7164.200118.5
200V29Very low32.2Very low117 Ų117138.8 Ų138.871%0.70978%0.777SS**  65.5116.573177.30000114.5
201N34.8Very low32.1Very low165 Ų165140.9 Ų140.988%0.88278%0.784SS**  trans-159.7123.9138.1-106.7-43.2000111.8
202N30.1Very low32Very low149 Ų149142.3 Ų142.380%0.79778%0.779SS**  trans-97.8132177.9-76.7-49.3000110.5
203L35.4Very low31.9Very low174 Ų174143.4 Ų143.491%0.91179%0.787SS**  trans-134.2101.4161-84.2173.6000110.9
204S30.4Very low32.1Very low103 Ų103149.9 Ų149.972%0.7280%0.795SS**  trans15.8122.6145.4-167.20000119.1
205L34.6Very low32.1Very low165 Ų165156.1 Ų156.186%0.86480%0.803SS**  177.3102123.1-94157.7000111.4
206D27.1Very low32.6Very low151 Ų151155.1 Ų155.181%0.80781%0.805SS**  trans-75.2164.7151.8-103.4-36.1000109.1
207P36.5Very low32.8Very low111 Ų111152.7 Ų152.772%0.72180%0.803SS**  cis-141.8-162.221.332.8-7.8000115.6
208V31.9Very low33.5Very low109 Ų109154.8 Ų154.866%0.66181%0.809SS**  trans107.3108.8154.6-171.10000116.5F210V208-F210 HydrophobicContact CG1-CD2 4.19Å; V208-F210 HydrophobicContact CG1-CE2 4.06Å; V208-F210 PolarHBondContact O-N 2.88Å
209S27.8Very low33.7Very low118 Ų118154.7 Ų154.783%0.82581%0.813SS**  trans-67.3122.2173.6-58.70000113.1
210F34.1Very low34Very low156 Ų156153.5 Ų153.568%0.68482%0.817SS**  trans-119.9109.1161.7-92.3-82.2000111.2V208 Y212V208-F210 HydrophobicContact CG1-CD2 4.19Å; V208-F210 HydrophobicContact CG1-CE2 4.06Å; V208-F210 PolarHBondContact O-N 2.88Å; F210-Y212 HydrophobicContact CB-CD2 4.05Å; F210-Y212 HydrophobicContact CB-CE2 4.11Å; F210-Y212 HydrophobicContact CD1-CD2 4.5Å; F210-Y212 AromaticContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CG-CE2 4.27Å; F210-Y212 PolarHBondContact O-N 3.41Å; F210-Y212 VanDerWaalsContact O-N 3.13Å
211N28.1Very low34.4Very low167 Ų167152.1 Ų152.189%0.89382%0.818SS**  trans-69.4102.8170-83.6-48.6000110.3
212Y33Very low34.3Very low190 Ų190148.4 Ų148.475%0.74581%0.805SS**  trans-117.6112.2165.6-82.5-77.5000111.4F210 R214F210-Y212 HydrophobicContact CB-CD2 4.05Å; F210-Y212 HydrophobicContact CB-CE2 4.11Å; F210-Y212 HydrophobicContact CD1-CD2 4.5Å; F210-Y212 AromaticContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CD1-CE2 3.78Å; F210-Y212 HydrophobicContact CG-CE2 4.27Å; F210-Y212 PolarHBondContact O-N 3.41Å; F210-Y212 VanDerWaalsContact O-N 3.13Å; Y212-R214 PolarHBondContact O-N 3.37Å
213S31.7Very low34.7Very low125 Ų125148.5 Ų148.587%0.87481%0.805SS**  trans-62.8113174.6-179.80000110.6R215S213-R215 PolarHBondContact O-N 2.87Å
214R34.9Very low34.6Very low242 Ų242150.2 Ų150.291%0.91380%0.801SS**  trans-72.4114.5-180-66.4-177.6178.2-171.3-0.4110.8Y212Y212-R214 PolarHBondContact O-N 3.37Å
215R35.2Very low35.1Very low230 Ų230152.7 Ų152.787%0.86881%0.805SS**PPolyproline II helixtrans-98.9138.5150.8-102.4-174173.2-173.4-1.3108.9S213 T217S213-R215 PolarHBondContact O-N 2.87Å; R215-T217 PolarHBondContact O-N 3.32Å
216P40.3Very low35.2Very low130 Ų130154 Ų15484%0.84480%0.804SS**PPolyproline II helixtrans-74116.1178.7-11.627.4000110.7
217T39.4Very low35.4Very low134 Ų134152.3 Ų152.382%0.82280%0.804SS**PPolyproline II helixtrans-77.6120.4166.8-48.50000108.4R215R215-T217 PolarHBondContact O-N 3.32Å
218L42.9Very low35.4Very low166 Ų166153.9 Ų153.987%0.86981%0.807SS**PPolyproline II helixtrans-65.2136.7173.3-80.6168.2000110.2T220L218-T220 PolarHBondContact O-N 3.34Å
219M37.4Very low35.5Very low185 Ų185154.2 Ų154.291%0.91181%0.814SS**PPolyproline II helixtrans-66.6125.1-172.3-64.5174.968.600111.9A221M219-A221 PolarHBondContact O-N 3.09Å
220T39.3Very low35.9Very low137 Ų137155.3 Ų155.384%0.8482%0.816SS**PPolyproline II helixtrans-69.8124.6165.1-50.50000109.3L218 S222L218-T220 PolarHBondContact O-N 3.34Å; T220-S222 PolarHBondContact O-N 2.69Å
221A37.7Very low35.8Very low87 Ų87154.9 Ų154.972%0.71982%0.82SS**PPolyproline II helixtrans-65.5121.8173.800000110.6M219 N223M219-A221 PolarHBondContact O-N 3.09Å; A221-N223 PolarHBondContact O-N 3.11Å
222S33.5Very low36.2Very low87 Ų87153.4 Ų153.461%0.60882%0.818SS**  trans-80.4109.9179.261.70000111.5T220 Y224T220-S222 PolarHBondContact O-N 2.69Å; S222-Y224 PolarHBondContact O-N 2.89Å
223N38.1Very low36.2Very low151 Ų151151.6 Ų151.681%0.80782%0.821SS**  trans-80.690.4164.2-77.3-33000109.8A221 L225A221-N223 PolarHBondContact O-N 3.11Å; N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.15Å
224Y32.7Very low36.4Very low210 Ų210151.3 Ų151.382%0.82482%0.819SS**  trans-70.485.8167.6-84.1-88.3000110.5S222S222-Y224 PolarHBondContact O-N 2.89Å
225L40.8Very low36.4Very low155 Ų155146.8 Ų146.881%0.81281%0.813SS**  trans-92.7104.9157.8-95.1108.5000109.5N223 S227N223-L225 VanDerWaalsContact C-N 3.33Å; N223-L225 PolarHBondContact O-N 3.15Å; L225-S227 PolarHBondContact O-N 2.81Å; L225-S227 VanDerWaalsContact O-N 3.07Å
226K35.9Very low36.6Very low194 Ų194143 Ų14384%0.84381%0.805SS**  trans-59.5105.7169.4-89.1172168.5171.50110.2N228K226-N228 PolarHBondContact O-N 2.97Å
227S33.1Very low36.3Very low114 Ų114146.9 Ų146.980%0.79780%0.803SS**  trans-91.480.9167.138.10000110.3L225 S229L225-S227 PolarHBondContact O-N 2.81Å; L225-S227 VanDerWaalsContact O-N 3.07Å; S227-S229 PolarHBondContact O-N 2.83Å
228N36.3Very low36.3Very low145 Ų145149.8 Ų149.878%0.77580%0.804SS**  trans-75.8103.1167.8-84.214.4000109.4K226K226-N228 PolarHBondContact O-N 2.97Å
229S32.5Very low36.2Very low116 Ų116146.8 Ų146.881%0.81179%0.794SS**  trans-80.5111.7167.456.60000110.4S227S227-S229 PolarHBondContact O-N 2.83Å
230T37.9Very low36.1Very low141 Ų141143.6 Ų143.687%0.86579%0.785SS**  trans-130.8127.4157.431.50000109.6
231N30.4Very low36.3Very low146 Ų146145.2 Ų145.278%0.78179%0.787SS**  trans-108.9115.8-168.7174.315.3000109
232T36.3Very low36.2Very low137 Ų137149.6 Ų149.684%0.8479%0.79SS**  trans-144.1130162.539.30000111.4
233N33.1Very low36.5Very low152 Ų152155 Ų15581%0.81380%0.802SS**  trans-64.7146.2177.1-69.6-60.9000112.6
234S36.8Very low36.5Very low118 Ų118152.8 Ų152.883%0.82580%0.798SS**  -158.5146.2120.5530000112.4
235N34.3Very low36.7Very low148 Ų148148 Ų14879%0.79179%0.793SS**  trans-68.3152.3179-59.7-72.7000110.5
236Q39Very low36.4Very low149 Ų149148 Ų14870%0.69679%0.794SS**  -177.1140.279.2-86.4-174.863.100113
237R35.6Very low36.4Very low213 Ų213144.1 Ų144.180%0.80479%0.791SS**  trans53.5146.8133.1-64.5177.1175.4174.2-7.8121
238K39.5Very low36.6Very low194 Ų194143.6 Ų143.684%0.84379%0.787SS**  cis-169.2-173.9-23.7-126.4-169.3-179.5-177.30107.1
239P40.2Very low36.3Very low104 Ų104143.2 Ų143.268%0.67579%0.79SS**  -130.6176.3-126.444.6-27.1000118
240V35.9Very low36.6Very low118 Ų118142.8 Ų142.872%0.71579%0.787SS**  trans52.7120.8143.8171.70000120.1
241I42Very low36.5Very low170 Ų170146.6 Ų146.687%0.87279%0.786SS**  trans-132.5135.2144.2-62.8-176.1000109.7
242K36.6Very low36.7Very low180 Ų180146.5 Ų146.578%0.78379%0.786SS**  trans-106.8149.5173.9-67.3174.6174.8176.30110.6
243K40.1Very low36.6Very low199 Ų199145.7 Ų145.787%0.86579%0.785SS**  trans169.3106.1149.6-95.3155.5-174.9-174.60107.3
244S36.8Very low36.7Very low105 Ų105143.3 Ų143.373%0.73478%0.781SS**  101135.567.2610000111.3
245P38.3Very low36.7Very low110 Ų110147.9 Ų147.971%0.71479%0.786SS**  trans-90.9157.4-168.336.7-36.4000114.1
246N33.3Very low36.6Very low156 Ų156150.2 Ų150.283%0.83478%0.784SS**  trans13999.5148.3-73.2-14000113.9
247S36.8Very low36.7Very low111 Ų111149.1 Ų149.178%0.77679%0.792SS**  trans-178.699.9149.345.90000108.7
248S36.9Very low36.7Very low103 Ų103144.8 Ų144.872%0.7278%0.781SS**  63.595.290.571.80000115.5
249T30.8Very low36.7Very low137 Ų137141.7 Ų141.784%0.8477%0.774SS**  trans53.1106.4130.6-26.90000119.4
250S37.4Very low36.7Very low107 Ų107143.7 Ų143.775%0.74878%0.777SS**  178.9130.9114.150.80000115.7
251R36.2Very low36.7Very low221 Ų221144.9 Ų144.983%0.83478%0.78SS**  trans49.6119.8135.2-66.8-179.3-180168.80.8122.3
252N34.6Very low36.6Very low145 Ų145141.2 Ų141.278%0.77577%0.766SS**  76.4101.8126.2-57.82.9000121.2
253S35.3Very low36.7Very low119 Ų119142 Ų14283%0.83277%0.77SS**  177.9115.6120.134.20000108.1
254S33.5Very low36.3Very low102 Ų102136.3 Ų136.371%0.71376%0.759SS**  73.389.971-178.40000114.1
255F36.9Very low36.3Very low214 Ų214137.2 Ų137.294%0.93976%0.76SS**  trans-136.3131.8141.4-89.6-76.6000109.8
256R33.7Very low36Very low198 Ų198138.4 Ų138.475%0.74777%0.77SS**  trans-84.5149.7178.2-87.2-174.9166.9-152.9-0.5110.9E258R256-E258 IonicContact CZ-OE2 3.74Å; R256-E258 IonicContact NH1-OE1 3.46Å; R256-E258 PolarHBondContact NH1-OE1 3.4Å; R256-E258 IonicContact NH1-OE2 2.65Å; R256-E258 PolarHBondContact NH1-OE2 3.03Å
257S40.3Very low36.2Very low125 Ų125136.5 Ų136.587%0.87477%0.769SS**  trans-142.8107.4138.236.90000110.5
258E36.3Very low36Very low122 Ų122136.8 Ų136.857%0.5777%0.771SS**  trans-60.7166.6156.8-81.6170107.200110.8R256R256-E258 IonicContact CZ-OE2 3.74Å; R256-E258 IonicContact NH1-OE1 3.46Å; R256-E258 PolarHBondContact NH1-OE1 3.4Å; R256-E258 IonicContact NH1-OE2 2.65Å; R256-E258 PolarHBondContact NH1-OE2 3.03Å
259N38Very low36.1Very low130 Ų130138 Ų13870%0.69578%0.777SS**  cis-151.8-170.4-8.4-104.1-25.8000105.5
260I40.3Very low36.6Very low145 Ų145141 Ų14174%0.74478%0.778SS**  cis-143.9150.316-47.4157000107.4
261D36.4Very low36.5Very low143 Ų143146 Ų14677%0.76579%0.786SS**  trans-136.9112.9167.7-161.2-4.7000109.7
262T41Very low36.4Very low94 Ų94141 Ų14158%0.57779%0.785SS**  trans-100.9-8.5-156.6-51.40000115.1
263F37.1Very low36.2Very low197 Ų197142.8 Ų142.886%0.86479%0.791SS**SBendtrans-132.625-169.6-67-72.1000115.9
264A33.6Very low36.2Very low78 Ų78144.6 Ų144.665%0.64579%0.786SS**  trans-106.751.2-177.800000114.4
265T35.9Very low36.1Very low124 Ų124145 Ų14576%0.76179%0.789SS**  trans-138.796175.137.70000113.6
266C32.7Very low36.1Very low135 Ų135143.2 Ų143.291%0.91278%0.781SS**  trans-155.794.2149.3-100.40000109.9
267S37.1Very low36.1Very low116 Ų116143.6 Ų143.681%0.81179%0.788SS**PPolyproline II helixtrans-66.5141.9-174.7-520000113.5
268S31.5Very low35.9Very low118 Ų118149.1 Ų149.183%0.82579%0.79SS**PPolyproline II helixtrans-70.4132.5172.2-41.20000112.3
269P39Very low35.8Very low129 Ų129154.8 Ų154.884%0.83881%0.806SS**PPolyproline II helixtrans-79.9139.1164.4-11.428.5000111.3
270K41.5Very low35.6Very low199 Ų199154 Ų15487%0.86581%0.81SS**PPolyproline II helixtrans-77.7141.5175.5-69.1166.9178.7167.90111.1
271K35.2Very low35.6Very low212 Ų212156.5 Ų156.592%0.92282%0.816SS**  trans30.7108.6145.8-59.6-177.6178.8-175.80117.8
272S34.7Very low35.5Very low117 Ų117154.7 Ų154.782%0.81881%0.812SS**  trans-140.5127142.5-176.80000109.3
273M31.2Very low35.1Very low182 Ų182158.3 Ų158.390%0.89783%0.827SS**  trans-83.3117172.6-80.3-164.27000109.2
274H34.7Very low35.1Very low156 Ų156156.3 Ų156.372%0.72282%0.824SS**  trans-133.2120161.5-131.836.7000112F276H274-F276 PolarHBondContact O-N 3.13Å
275S30.5Very low35Very low110 Ų110159.1 Ų159.177%0.76983%0.828SS**  trans-78.696.9-171.150.80000111.5K277S275-K277 PolarHBondContact O-N 3.38Å
276F37.8Very low34.7Very low177 Ų177157.8 Ų157.878%0.77682%0.823SS**  trans-90.299.7169.1-81.7-78.2000111.7H274 R278H274-F276 PolarHBondContact O-N 3.13Å; F276-R278 PolarHBondContact O-N 2.94Å; F276-R278 VanDerWaalsContact O-N 3.17Å
277K34.4Very low34.7Very low206 Ų206157.6 Ų157.690%0.89682%0.818SS**  trans-50.8115.3163.7-73.2171.1172.8172.40109.8S275S275-K277 PolarHBondContact O-N 3.38Å
278R36.2Very low34.4Very low242 Ų242157.4 Ų157.491%0.91382%0.817SS**  trans-120.9120.7153.4-81.3-167.7176.5-174.71109.5F276 S280F276-R278 PolarHBondContact O-N 2.94Å; F276-R278 VanDerWaalsContact O-N 3.17Å; R278-S280 PolarHBondContact O-N 2.92Å
279R33.5Very low34.5Very low241 Ų241160.4 Ų160.491%0.90982%0.818SS**  trans-45.9120.1-170.2-69.6167.1165.7160.6-7.5113.2
280S33Very low34.3Very low113 Ų113161.8 Ų161.879%0.7982%0.817SS**PPolyproline II helixtrans-59.5133.3140.641.40000108.3R278R278-S280 PolarHBondContact O-N 2.92Å
281K41.4Very low33.7Very low197 Ų197158.6 Ų158.686%0.85781%0.809SS**PPolyproline II helixtrans-82.4133.7163.5-75-174.7176.7-177.70107.6
282P34.6Very low33.5Very low105 Ų105154.5 Ų154.568%0.68280%0.804SS**PPolyproline II helixtrans-71.4140.4179.729.3-33.7000111I284P282-I284 PolarHBondContact O-N 3.05Å
283L32Very low33.4Very low171 Ų171155.1 Ų155.190%0.89580%0.797SS**  trans-63.5114.5154.1-84.3149.1000107.3
284I36.4Very low33.6Very low155 Ų155153.2 Ų153.280%0.79580%0.795SS**  trans-90.9112168.2-63.2178000106.7P282P282-I284 PolarHBondContact O-N 3.05Å
285N31.4Very low33.6Very low137 Ų137153.5 Ų153.573%0.73380%0.797SS**  trans-80.4141.2175.6-115.89000110.4
286S30.1Very low34Very low95 Ų95153.7 Ų153.766%0.66480%0.796SS**  trans37.4113.4145.562.30000120
287V31.9Very low33.9Very low132 Ų132153 Ų15380%0.880%0.8SS**  trans-134.9116.4130.3179.50000108.3Q289V287-Q289 HydrophobicContact CG1-CG 4.31Å
288S31.4Very low34.1Very low112 Ų112150.9 Ų150.978%0.78379%0.793SS**  trans-75.6131167.5-49.70000109.5
289Q34Very low34.2Very low181 Ų181146.3 Ų146.385%0.84679%0.787SS**  trans-132.3146155.2-70.2-165.20.600109.3V287V287-Q289 HydrophobicContact CG1-CG 4.31Å
290L34Very low34.4Very low158 Ų158141.1 Ų141.183%0.82778%0.782SS**  trans-90.2146.8-161-64.1108.9000112.7
291L29.8Very low34.4Very low131 Ų131140.1 Ų140.169%0.68678%0.775SS**  trans23.6139.4132.4-80162.6000119I293L291-I293 HydrophobicContact CD2-CD1 4.18Å; L291-I293 HydrophobicContact CD2-CG1 3.91Å
292P30.9Very low34.1Very low127 Ų127139.7 Ų139.783%0.82577%0.773SS**  -135.8163.177.931.2-13.9000117.3
293I31.2Very low33.9Very low130 Ų130139.6 Ų139.667%0.66777%0.774SS**  trans-71.5141176.3-67.5129.9000111.3L291 E295L291-I293 HydrophobicContact CD2-CD1 4.18Å; L291-I293 HydrophobicContact CD2-CG1 3.91Å; I293-E295 HydrophobicContact CG2-CG 4.15Å
294T35.5Very low33.8Very low141 Ų141140.5 Ų140.587%0.86577%0.771SS**  trans-138.4111.9151-39.10000108.2
295E35.3Very low33.8Very low162 Ų162137.9 Ų137.976%0.75777%0.765SS**  trans-86.5-170.4166.1-61.5-161.1150.200110.3I293I293-E295 HydrophobicContact CG2-CG 4.15Å
296P40.1Very low33.8Very low115 Ų115138.5 Ų138.575%0.74777%0.768SS**  -116.8175-79.735.6-21.3000109.9
297D35.6Very low33.7Very low161 Ų161141.3 Ų141.386%0.86177%0.774SS**  trans-141.5137157.1-150.1-6.8000111.6
298E38.3Very low33.7Very low162 Ų162144.4 Ų144.476%0.75777%0.773SS**  trans-85.4144-179.5-60.2-172.8141.600109.5
299N38.8Very low33.6Very low146 Ų146144 Ų14478%0.78177%0.769SS**  trans147.2157.7142.7-80.5-63.8000113
300T36.7Very low33.4Very low132 Ų132144.4 Ų144.481%0.8177%0.771SS**  trans78.349.1169.669.30000119.1
301S32.8Very low33.2Very low92 Ų92140.8 Ų140.864%0.64376%0.759SS**  20.3130.4120.373.70000120.6
302K35.8Very low33.2Very low188 Ų188141.9 Ų141.982%0.81777%0.766SS**  152.2152.5117.2-85166.6-174.4174.60113.6
303C30.6Very low33.2Very low104 Ų104145.6 Ų145.670%0.70377%0.769SS**  trans70.3103.4165.3-60.70000116.2
304F29.7Very low33.2Very low189 Ų189148.4 Ų148.483%0.82978%0.779SS**  cis-163.9160.734.3-85.2-77.2000110N306F304-N306 PolarHBondContact O-N 2.98Å
305P36.8Very low32.9Very low101 Ų101149.3 Ų149.366%0.65678%0.778SS**  trans-76.2126-176.130.3-33.8000113L307P305-L307 PolarHBondContact O-N 3.42Å
306N30Very low32.6Very low149 Ų149149.5 Ų149.580%0.79778%0.783SS**  trans-7173.6162.5-104.4-21.6000109.9F304 Y308F304-N306 PolarHBondContact O-N 2.98Å; N306-Y308 VanDerWaalsContact C-N 3.25Å; N306-Y308 PolarHBondContact O-N 3.11Å
307L29.2Very low32.1Very low154 Ų154149.5 Ų149.581%0.80679%0.786SS**  trans-82.777.4162.2-80.7164.5000108.5P305 C309P305-L307 PolarHBondContact O-N 3.42Å; L307-C309 PolarHBondContact O-N 2.78Å
308Y32.1Very low31.9Very low198 Ų198151.2 Ų151.278%0.77679%0.786SS**  trans-61.8117.6158-100-96.7000107.4N306 E310N306-Y308 VanDerWaalsContact C-N 3.25Å; N306-Y308 PolarHBondContact O-N 3.11Å; Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.2Å
309C27.7Very low31.7Very low102 Ų102148.1 Ų148.169%0.68978%0.782SS**  trans-74.883.9-178.3-166.30000109.7L307 S311L307-C309 PolarHBondContact O-N 2.78Å; C309-S311 PolarHBondContact O-N 3.1Å
310E31.3Very low31.7Very low190 Ų190146.3 Ų146.389%0.88878%0.778SS**  trans-68.670.4164.8-73.9-171.5120.500110.3Y308Y308-E310 VanDerWaalsContact C-N 3.3Å; Y308-E310 PolarHBondContact O-N 3.2Å
311S29.8Very low32.1Very low82 Ų82144.5 Ų144.557%0.57377%0.77SS**SBendtrans-166.7135.2165.9-77.80000108.5C309C309-S311 PolarHBondContact O-N 3.1Å
312D28.2Very low33Very low155 Ų155143.7 Ų143.783%0.82976%0.756SS**SBendtrans106.1-9.9175.9-61.2-11.4000118.4Q314D312-Q314 PolarHBondContact O-N 2.92Å; D312-Q314 VanDerWaalsContact O-N 3.07Å
313F32.1Very low34Very low205 Ų205136.8 Ų136.890%0.89973%0.73SS**G310 helixtrans-73.97.7177.5-89.9-79000116.2
314Q30.7Very low35.4Very low189 Ų189136.5 Ų136.588%0.88372%0.715SS**G310 helixtrans-91.68.1-177-66.4-166.114.700115.7D312D312-Q314 PolarHBondContact O-N 2.92Å; D312-Q314 VanDerWaalsContact O-N 3.07Å
315L29.8Very low37Very low160 Ų160133 Ų13384%0.83870%0.696SS**G310 helixtrans-12014.6-176.3-91.3167.3000116.7
316L29.5Very low38.3Very low166 Ų166131.2 Ų131.287%0.86968%0.681SS**  trans-118.642.8170.3-90.490.1000113.4K318L316-K318 VanDerWaalsContact C-N 3.32Å
317S28.3Very low40.3Very low115 Ų115132.2 Ų132.280%0.80469%0.686SS**  trans-86.95.5169.657.30000114.2S319S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.17Å
318K32.8Very low42.3Very low196 Ų196129.6 Ų129.685%0.85268%0.677SS**SBendtrans-74.4100.7158.9-77.2-172.8176.8-177.50107.9L316L316-K318 VanDerWaalsContact C-N 3.32Å
319S32.1Very low43.9Very low98 Ų98121.7 Ų121.769%0.68566%0.656SS**  trans-39.9134.3161.552.30000109.3S317 C321S317-S319 PolarHBondContact O-N 2.77Å; S317-S319 VanDerWaalsContact O-N 3.17Å; S319-C321 PolarHBondContact O-N 3.04Å; S319-C321 VanDerWaalsContact O-N 3.11Å
320P40.1Very low45.4Very low107 Ų107125.6 Ų125.670%0.69566%0.656SS**  trans-51.4125.8-175.821.2-32.7000109E322P320-E322 PolarHBondContact O-N 3.1Å; P320-E322 VanDerWaalsContact O-N 3.15Å
321C43.9Very low46.8Very low95 Ų95122.6 Ų122.664%0.64265%0.645SS**  trans-45.9124.7-177.3-1620000108.1S319 P323S319-C321 PolarHBondContact O-N 3.04Å; S319-C321 VanDerWaalsContact O-N 3.11Å; C321-P323 WeakPolarHBondContact O-CA 3.48Å; C321-P323 WeakPolarHBondContact O-CD 3.38Å
322E52.7Low48.4Very low74 Ų74119.9 Ų119.935%0.34663%0.628SS.*  trans-45.3111.6-169-78.1-167.1168.100108.8P320 W324 R325P320-E322 PolarHBondContact O-N 3.1Å; P320-E322 VanDerWaalsContact O-N 3.15Å; E322-W324 HydrophobicContact CB-CD2 4.23Å; E322-W324 HydrophobicContact CB-CZ2 3.86Å; E322-W324 HydrophobicContact CG-CH2 4.35Å; E322-W324 HydrophobicContact CG-CZ2 3.63Å; E322-W324 CarbonylContact O-C 3.6Å; E322-W324 PolarHBondContact O-N 3.34Å; E322-W324 PolarHBondContact OE2-NE1 3.45Å; E322-R325 HydrophobicContact CB-CB 4.41Å; E322-R325 HydrophobicContact CB-CG 4.1Å; E322-R325 WeakPolarHBondContact O-CA 3.39Å; E322-R325 WeakPolarHBondContact O-CB 3.37Å; E322-R325 PolarHBondContact O-N 3.2Å; E322-R325 IonicContact OE2-CZ 3.14Å; E322-R325 IonicContact OE2-NE 2.79Å; E322-R325 PolarHBondContact OE2-NE 2.92Å; E322-R325 IonicContact OE2-NH2 3.45Å; E322-R325 PolarHBondContact OE2-NH2 3.25Å
323P55.9Low50.4Low43 Ų43115 Ų11528%0.27961%0.606SS.*THydrogen-bonded Turntrans-70.4-7.3-161.925.1-35.2000113.2C321 R325 F340C321-P323 WeakPolarHBondContact O-CA 3.48Å; C321-P323 WeakPolarHBondContact O-CD 3.38Å; P323-R325 VanDerWaalsContact C-N 3.35Å; P323-F340 HydrophobicContact CB-CD1 3.78Å; P323-F340 HydrophobicContact CB-CE1 3.48Å; P323-F340 VanDerWaalsContact CB-CE1 3.48Å; P323-F340 HydrophobicContact CB-CG 4.48Å; P323-F340 HydrophobicContact CB-CZ 3.94Å; P323-F340 HydrophobicContact CG-CE1 4.39Å
324W60.7Low52.2Low98 Ų98109.6 Ų109.637%0.37159%0.589SS.*THydrogen-bonded Turntrans-90.414167.657.777.2000113E322 L331 A332 W356E322-W324 HydrophobicContact CB-CD2 4.23Å; E322-W324 HydrophobicContact CB-CZ2 3.86Å; E322-W324 HydrophobicContact CG-CH2 4.35Å; E322-W324 HydrophobicContact CG-CZ2 3.63Å; E322-W324 CarbonylContact O-C 3.6Å; E322-W324 PolarHBondContact O-N 3.34Å; E322-W324 PolarHBondContact OE2-NE1 3.45Å; W324-L331 CarbonylContact O-C 3.45Å; W324-L331 WeakPolarHBondContact O-CA 3.36Å; W324-L331 WeakPolarHBondContact O-CD2 3.41Å; W324-A332 PolarHBondContact O-N 2.91Å; W324-W356 AromaticContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CZ2-CZ3 4.41Å
325R62.4Low54.2Low117 Ų117106.5 Ų106.544%0.44258%0.575SS.*BIsolated β-bridgetrans-128.2146.4176-62.5-166.9-166.9-117.87.4113.8E322 P323 G329 R330E322-R325 HydrophobicContact CB-CB 4.41Å; E322-R325 HydrophobicContact CB-CG 4.1Å; E322-R325 WeakPolarHBondContact O-CA 3.39Å; E322-R325 WeakPolarHBondContact O-CB 3.37Å; E322-R325 PolarHBondContact O-N 3.2Å; E322-R325 IonicContact OE2-CZ 3.14Å; E322-R325 IonicContact OE2-NE 2.79Å; E322-R325 PolarHBondContact OE2-NE 2.92Å; E322-R325 IonicContact OE2-NH2 3.45Å; E322-R325 PolarHBondContact OE2-NH2 3.25Å; P323-R325 VanDerWaalsContact C-N 3.35Å; R325-G329 WeakPolarHBondContact CD-O 3.29Å; R325-G329 PolarHBondContact NH1-O 3.35Å; R325-R330 CarbonylContact C-O 3.48Å; R325-R330 WeakPolarHBondContact CA-O 3.16Å
326D65.6Low56Low62 Ų62103.2 Ų103.233%0.33256%0.558SS.*  trans-83175.1166.86818.8000112.2T328 G329 R330D326-T328 VanDerWaalsContact CG-OG1 3.28Å; D326-T328 PolarHBondContact O-N 2.86Å; D326-T328 VanDerWaalsContact OD1-C 3.29Å; D326-T328 VanDerWaalsContact OD1-CA 3.24Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 WeakPolarHBondContact OD1-CB 3.45Å; D326-T328 PolarHBondContact OD1-N 2.84Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-T328 PolarHBondContact OD2-OG1 3.13Å; D326-G329 PolarHBondContact O-N 3.49Å; D326-G329 PolarHBondContact OD1-N 3.08Å; D326-G329 VanDerWaalsContact OD1-N 3.08Å; D326-R330 PolarHBondContact N-O 3.13Å; D326-R330 PolarHBondContact OD1-N 2.94Å
327D72.1Confident57.9Low170 Ų17097.9 Ų97.991%0.90953%0.528SS*.THydrogen-bonded Turntrans-60.7-11.4177-63-35.7000113.6
328T70.1Confident59.9Low99 Ų9995.6 Ų95.661%0.60751%0.506SS*.THydrogen-bonded Turntrans-98.43.8174.976.80000113.2D326 R330D326-T328 VanDerWaalsContact CG-OG1 3.28Å; D326-T328 PolarHBondContact O-N 2.86Å; D326-T328 VanDerWaalsContact OD1-C 3.29Å; D326-T328 VanDerWaalsContact OD1-CA 3.24Å; D326-T328 WeakPolarHBondContact OD1-CA 3.32Å; D326-T328 WeakPolarHBondContact OD1-CB 3.45Å; D326-T328 PolarHBondContact OD1-N 2.84Å; D326-T328 PolarHBondContact OD1-OG1 2.85Å; D326-T328 PolarHBondContact OD2-OG1 3.13Å; T328-R330 PolarHBondContact O-N 2.92Å; T328-R330 WeakPolarHBondContact OG1-CD 3.39Å; T328-R330 WeakPolarHBondContact OG1-CG 3.34Å
329G65.3Low61.6Low33 Ų3389.1 Ų89.134%0.3448%0.481SS..SBendtrans74.29.2-179.100000114.5R325 D326R325-G329 WeakPolarHBondContact CD-O 3.29Å; R325-G329 PolarHBondContact NH1-O 3.35Å; D326-G329 PolarHBondContact O-N 3.49Å; D326-G329 PolarHBondContact OD1-N 3.08Å; D326-G329 VanDerWaalsContact OD1-N 3.08Å
330R59.1Low63.2Low184 Ų18487.8 Ų87.869%0.69446%0.463SS*.SBendtrans-85.2158.3174.5-64.1175.3174.2-169.6-2109.9R325 D326 T328 A332R325-R330 CarbonylContact C-O 3.48Å; R325-R330 WeakPolarHBondContact CA-O 3.16Å; D326-R330 PolarHBondContact N-O 3.13Å; D326-R330 PolarHBondContact OD1-N 2.94Å; T328-R330 PolarHBondContact O-N 2.92Å; T328-R330 WeakPolarHBondContact OG1-CD 3.39Å; T328-R330 WeakPolarHBondContact OG1-CG 3.34Å; R330-A332 PolarHBondContact O-N 2.92Å
331L60.9Low64.5Low126 Ų12684.2 Ų84.266%0.6644%0.439SS*.BIsolated β-bridgetrans-61.7123.5179.1-67.8175.3000111W324W324-L331 CarbonylContact O-C 3.45Å; W324-L331 WeakPolarHBondContact O-CA 3.36Å; W324-L331 WeakPolarHBondContact O-CD2 3.41Å
332A65Low65.7Low25 Ų2582.6 Ų82.621%0.20743%0.428CS..PPolyproline II helixtrans-55.7143175.100000109.8W324 R330W324-A332 PolarHBondContact O-N 2.91Å; R330-A332 PolarHBondContact O-N 2.92Å
333S69.7Low66.1Low54 Ų5487.4 Ų87.438%0.37845%0.448SS..PPolyproline II helixtrans-62.3152.9179.988.10000110.1H335 D336 F337S333-H335 PolarHBondContact O-N 3.37Å; S333-H335 VanDerWaalsContact O-N 3.11Å; S333-H335 PolarHBondContact OG-N 3.02Å; S333-D336 WeakPolarHBondContact CB-OD2 3.32Å; S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-N 3.16Å; S333-D336 VanDerWaalsContact OG-N 3.1Å; S333-D336 PolarHBondContact OG-OD2 3.29Å; S333-F337 PolarHBondContact O-N 2.88Å
334V69.7Low66.1Low90 Ų9091.3 Ų91.355%0.54546%0.462SS..Hα-helixtrans-56.6-31.1176.6177.70000110.9I338 A436V334-I338 HydrophobicContact CG1-CD1 3.77Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CB 3.48Å; V334-I338 WeakPolarHBondContact O-CD1 3.35Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 3.22Å; V334-A436 HydrophobicContact CG2-CB 4.49Å
335H72Confident65.7Low125 Ų12589.3 Ų89.358%0.57946%0.459SS*.Hα-helixtrans-69.6-43175.3-163.9-18.2000111.9S333 I338 N339S333-H335 PolarHBondContact O-N 3.37Å; S333-H335 VanDerWaalsContact O-N 3.11Å; S333-H335 PolarHBondContact OG-N 3.02Å; H335-I338 PolarHBondContact O-N 3.42Å; H335-N339 PolarHBondContact CE1-ND2 3.28Å; H335-N339 PolarHBondContact CE1-OD1 3.25Å; H335-N339 VanDerWaalsContact CE1-OD1 3.25Å; H335-N339 PolarHBondContact ND1-ND2 3.39Å; H335-N339 VanDerWaalsContact ND1-ND2 3.12Å; H335-N339 PolarHBondContact ND1-OD1 2.89Å; H335-N339 WeakPolarHBondContact O-CB 3.25Å; H335-N339 PolarHBondContact O-N 2.99Å; H335-N339 PolarHBondContact O-ND2 3.44Å; H335-N339 PolarHBondContact O-OD1 3.08Å
336D67.2Low65Low90 Ų9086.4 Ų86.448%0.48146%0.456SS..Hα-helixtrans-70.8-38.7-179.6-57.2-47.6000111.6S333 N339 F340S333-D336 WeakPolarHBondContact CB-OD2 3.32Å; S333-D336 PolarHBondContact O-N 3.12Å; S333-D336 PolarHBondContact OG-N 3.16Å; S333-D336 VanDerWaalsContact OG-N 3.1Å; S333-D336 PolarHBondContact OG-OD2 3.29Å; D336-N339 PolarHBondContact O-N 2.91Å; D336-F340 VanDerWaalsContact O-CB 3.32Å; D336-F340 WeakPolarHBondContact O-CB 3.45Å; D336-F340 PolarHBondContact O-N 3.22Å
337F69.6Low64.2Low54 Ų5487.3 Ų87.324%0.23747%0.467CS..Hα-helixtrans-63.7-43.5172.6-178.8-101.4000111.9S333 F340 V341 A432S333-F337 PolarHBondContact O-N 2.88Å; F337-F340 PolarHBondContact O-N 3.06Å; F337-V341 HydrophobicContact CD1-CG2 4.35Å; F337-V341 HydrophobicContact CD2-CG2 4.48Å; F337-V341 HydrophobicContact CE1-CG2 3.91Å; F337-V341 HydrophobicContact CE2-CG2 4.06Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CB 3.47Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.13Å; F337-A432 HydrophobicContact CE1-CB 3.93Å
338I71.5Confident62.6Low68 Ų6887.2 Ų87.235%0.34946%0.463SS..Hα-helixtrans-64.7-42174.7-71.5169.1000110.6V334 H335 V341 C342V334-I338 HydrophobicContact CG1-CD1 3.77Å; V334-I338 HydrophobicContact CG1-CG1 4.45Å; V334-I338 WeakPolarHBondContact O-CB 3.48Å; V334-I338 WeakPolarHBondContact O-CD1 3.35Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 3.22Å; H335-I338 PolarHBondContact O-N 3.42Å; I338-V341 PolarHBondContact O-N 2.93Å; I338-C342 VanDerWaalsContact O-CB 3.22Å; I338-C342 WeakPolarHBondContact O-CB 3.42Å; I338-C342 PolarHBondContact O-N 3.34Å; I338-C342 PolarHBondContact O-SG 3.11Å
339N68.7Low61.3Low59 Ų5987.3 Ų87.332%0.31646%0.463SS..Hα-helixtrans-59.2-49174.6-72.4-18.4000110.3H335 D336 V341 C342 F343H335-N339 PolarHBondContact CE1-ND2 3.28Å; H335-N339 PolarHBondContact CE1-OD1 3.25Å; H335-N339 VanDerWaalsContact CE1-OD1 3.25Å; H335-N339 PolarHBondContact ND1-ND2 3.39Å; H335-N339 VanDerWaalsContact ND1-ND2 3.12Å; H335-N339 PolarHBondContact ND1-OD1 2.89Å; H335-N339 WeakPolarHBondContact O-CB 3.25Å; H335-N339 PolarHBondContact O-N 2.99Å; H335-N339 PolarHBondContact O-ND2 3.44Å; H335-N339 PolarHBondContact O-OD1 3.08Å; D336-N339 PolarHBondContact O-N 2.91Å; N339-V341 PolarHBondContact O-N 2.86Å; N339-C342 PolarHBondContact O-N 3.39Å; N339-F343 WeakPolarHBondContact O-CB 3.44Å; N339-F343 WeakPolarHBondContact O-CD2 3.24Å; N339-F343 PolarHBondContact O-N 3.06Å
340F64.2Low59.8Low71 Ų7189.1 Ų89.131%0.31148%0.483SS..Hα-helixtrans-57-52.2178.6-178.8-89.6000111.4P323 D336 F337 C342 F343 H344P323-F340 HydrophobicContact CB-CD1 3.78Å; P323-F340 HydrophobicContact CB-CE1 3.48Å; P323-F340 VanDerWaalsContact CB-CE1 3.48Å; P323-F340 HydrophobicContact CB-CG 4.48Å; P323-F340 HydrophobicContact CB-CZ 3.94Å; P323-F340 HydrophobicContact CG-CE1 4.39Å; D336-F340 VanDerWaalsContact O-CB 3.32Å; D336-F340 WeakPolarHBondContact O-CB 3.45Å; D336-F340 PolarHBondContact O-N 3.22Å; F337-F340 PolarHBondContact O-N 3.06Å; F340-C342 VanDerWaalsContact C-N 3.28Å; F340-C342 PolarHBondContact O-N 2.88Å; F340-F343 PolarHBondContact O-N 2.91Å; F340-H344 AromaticContact CD2-CD2 3.36Å; F340-H344 WeakPolarHBondContact CD2-CD2 3.31Å; F340-H344 AromaticContact CD2-NE2 3.98Å; F340-H344 HydrophobicContact CE1-CB 4.4Å; F340-H344 HydrophobicContact CE2-CB 4.35Å; F340-H344 AromaticContact CE2-CD2 3.5Å; F340-H344 VanDerWaalsContact CE2-CD2 3.5Å; F340-H344 WeakPolarHBondContact CE2-CD2 3.27Å; F340-H344 AromaticContact CE2-CG 3.87Å; F340-H344 AromaticContact CG-CD2 4Å; F340-H344 HydrophobicContact CZ-CB 4.23Å; F340-H344 WeakPolarHBondContact O-CB 3.25Å; F340-H344 PolarHBondContact O-N 3.44Å
341V69.1Low58.7Low31 Ų3185 Ų8519%0.18847%0.474CS..Hα-helixtrans-62.5-33.8178.9172.70000112.1F337 I338 N339F337-V341 HydrophobicContact CD1-CG2 4.35Å; F337-V341 HydrophobicContact CD2-CG2 4.48Å; F337-V341 HydrophobicContact CE1-CG2 3.91Å; F337-V341 HydrophobicContact CE2-CG2 4.06Å; F337-V341 HydrophobicContact CZ-CG2 3.76Å; F337-V341 WeakPolarHBondContact O-CB 3.47Å; F337-V341 WeakPolarHBondContact O-CG2 3.42Å; F337-V341 PolarHBondContact O-N 3.13Å; I338-V341 PolarHBondContact O-N 2.93Å; N339-V341 PolarHBondContact O-N 2.86Å
342C67.9Low57.8Low61 Ų6184.7 Ų84.741%0.41248%0.48SS..Hα-helixtrans-78.7-32.9178.1-72.40000114.1I338 N339 F340I338-C342 VanDerWaalsContact O-CB 3.22Å; I338-C342 WeakPolarHBondContact O-CB 3.42Å; I338-C342 PolarHBondContact O-N 3.34Å; I338-C342 PolarHBondContact O-SG 3.11Å; N339-C342 PolarHBondContact O-N 3.39Å; F340-C342 VanDerWaalsContact C-N 3.28Å; F340-C342 PolarHBondContact O-N 2.88Å
343F61.7Low56.4Low175 Ų17589.6 Ų89.677%0.76850%0.502SS*.Hα-helixtrans-87.3-41.2-179.1-93.7-87000113.3N339 F340N339-F343 WeakPolarHBondContact O-CB 3.44Å; N339-F343 WeakPolarHBondContact O-CD2 3.24Å; N339-F343 PolarHBondContact O-N 3.06Å; F340-F343 PolarHBondContact O-N 2.91Å
344H55.9Low55Low125 Ų12590.4 Ų90.458%0.57951%0.505SS*.Hα-helixtrans-90.4-3.4-174.6-71.7-78.6000114.3F340 C346F340-H344 AromaticContact CD2-CD2 3.36Å; F340-H344 WeakPolarHBondContact CD2-CD2 3.31Å; F340-H344 AromaticContact CD2-NE2 3.98Å; F340-H344 HydrophobicContact CE1-CB 4.4Å; F340-H344 HydrophobicContact CE2-CB 4.35Å; F340-H344 AromaticContact CE2-CD2 3.5Å; F340-H344 VanDerWaalsContact CE2-CD2 3.5Å; F340-H344 WeakPolarHBondContact CE2-CD2 3.27Å; F340-H344 AromaticContact CE2-CG 3.87Å; F340-H344 AromaticContact CG-CD2 4Å; F340-H344 HydrophobicContact CZ-CB 4.23Å; F340-H344 WeakPolarHBondContact O-CB 3.25Å; F340-H344 PolarHBondContact O-N 3.44Å; H344-C346 PolarHBondContact O-N 3.22Å
345D52.3Low53.2Low56 Ų5692 Ų9230%0.29951%0.507SS..THydrogen-bonded Turntrans4074.2173.4-149.166.2000112.2S347 M348 R425D345-S347 WeakPolarHBondContact O-CA 3.41Å; D345-S347 WeakPolarHBondContact O-CB 3.35Å; D345-S347 PolarHBondContact O-N 2.9Å; D345-S347 WeakPolarHBondContact OD2-CB 3.47Å; D345-S347 PolarHBondContact OD2-OG 2.76Å; D345-M348 PolarHBondContact O-N 3.49Å; D345-R425 IonicContact OD1-CZ 3.04Å; D345-R425 IonicContact OD1-NE 2.63Å; D345-R425 PolarHBondContact OD1-NE 3.04Å; D345-R425 VanDerWaalsContact OD1-NE 3.14Å; D345-R425 IonicContact OD1-NH2 3.22Å; D345-R425 PolarHBondContact OD1-NH2 2.91Å
346C48.4Very low51.7Low57 Ų5795 Ų9539%0.38551%0.513SS..G310 helixtrans-60.710.4-175.3-54.60000115.2H344 M348 T349H344-C346 PolarHBondContact O-N 3.22Å; C346-M348 PolarHBondContact O-N 2.87Å; C346-M348 VanDerWaalsContact O-N 3.15Å; C346-T349 PolarHBondContact O-N 2.8Å; C346-T349 PolarHBondContact O-OG1 2.92Å; C346-T349 VanDerWaalsContact O-OG1 3.06Å
347S46.9Very low50.2Low80 Ų8097.8 Ų97.856%0.55952%0.521SS*.G310 helixtrans-42.4-26.6152-48.90000114.2D345D345-S347 WeakPolarHBondContact O-CA 3.41Å; D345-S347 WeakPolarHBondContact O-CB 3.35Å; D345-S347 PolarHBondContact O-N 2.9Å; D345-S347 WeakPolarHBondContact OD2-CB 3.47Å; D345-S347 PolarHBondContact OD2-OG 2.76Å
348M40Very low48.5Very low169 Ų16999.8 Ų99.883%0.83355%0.548SS*.G310 helixtrans-95.9-6.8-175.6-67.2-64.8151.900115.9D345 C346 G350D345-M348 PolarHBondContact O-N 3.49Å; C346-M348 PolarHBondContact O-N 2.87Å; C346-M348 VanDerWaalsContact O-N 3.15Å; M348-G350 PolarHBondContact O-N 2.85Å
349T41.6Very low46.4Very low100 Ų10098.8 Ų98.861%0.61355%0.547SS*.  trans-80.966.3166.150.50000109.6C346 D351C346-T349 PolarHBondContact O-N 2.8Å; C346-T349 PolarHBondContact O-OG1 2.92Å; C346-T349 VanDerWaalsContact O-OG1 3.06Å; T349-D351 PolarHBondContact O-N 3.33Å
350G34.6Very low44.5Very low72 Ų72102.1 Ų102.174%0.74257%0.571SS**  trans-76.928.9-176.100000115M348 P352M348-G350 PolarHBondContact O-N 2.85Å; G350-P352 WeakPolarHBondContact O-CD 3.33Å
351D36.5Very low43.1Very low97 Ų97105 Ų10552%0.51958%0.581SS.*  trans-99.8106.4178.3-158.1-32000110.3T349 N353 T354T349-D351 PolarHBondContact O-N 3.33Å; D351-N353 PolarHBondContact O-N 3.21Å; D351-N353 VanDerWaalsContact O-N 3.12Å; D351-N353 PolarHBondContact OD1-N 2.87Å; D351-N353 PolarHBondContact OD1-ND2 3.15Å; D351-T354 PolarHBondContact O-OG1 3.17Å
352P41.9Very low41.2Very low120 Ų120107.4 Ų107.478%0.77960%0.599SS**THydrogen-bonded Turntrans-71.3-3.9-172.730.2-36000113.9G350 T354G350-P352 WeakPolarHBondContact O-CD 3.33Å; P352-T354 PolarHBondContact O-N 3.32Å; P352-T354 VanDerWaalsContact O-N 3.16Å
353N35.5Very low39.5Very low127 Ų127113.6 Ų113.668%0.67962%0.624SS**THydrogen-bonded Turntrans-75.57.7177.6-63.4-51000114.1D351 E355D351-N353 PolarHBondContact O-N 3.21Å; D351-N353 VanDerWaalsContact O-N 3.12Å; D351-N353 PolarHBondContact OD1-N 2.87Å; D351-N353 PolarHBondContact OD1-ND2 3.15Å; N353-E355 PolarHBondContact O-N 3.43Å
354T39.4Very low38.1Very low71 Ų71112.4 Ų112.444%0.43662%0.621SS.*  trans-78.664.6174.7-41.40000111.1D351 P352 W356 F357D351-T354 PolarHBondContact O-OG1 3.17Å; P352-T354 PolarHBondContact O-N 3.32Å; P352-T354 VanDerWaalsContact O-N 3.16Å; T354-W356 HydrophobicContact CG2-CB 4.25Å; T354-W356 HydrophobicContact CG2-CG 4.29Å; T354-W356 PolarHBondContact O-N 3.17Å; T354-F357 HydrophobicContact CG2-CD2 4.11Å; T354-F357 HydrophobicContact CG2-CE2 4.03Å
355E32.9Very low36.7Very low125 Ų125111.8 Ų111.858%0.58463%0.631SS**G310 helixtrans-59.1-10.2179-61.5-166.1146.500114N353 F357 A358 Y361N353-E355 PolarHBondContact O-N 3.43Å; E355-F357 PolarHBondContact O-N 3.29Å; E355-A358 PolarHBondContact O-N 2.95Å; E355-A358 VanDerWaalsContact O-N 3.15Å; E355-Y361 WeakPolarHBondContact CB-OH 3.4Å; E355-Y361 PolarHBondContact OE2-OH 3.16Å
356W39Very low35.7Very low186 Ų186117 Ų11771%0.70566%0.658SS**G310 helixtrans-59.9-17.6-172.2-6326.8000114.2W324 T354W324-W356 AromaticContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CH2-CZ3 3.89Å; W324-W356 HydrophobicContact CZ2-CZ3 4.41Å; T354-W356 HydrophobicContact CG2-CB 4.25Å; T354-W356 HydrophobicContact CG2-CG 4.29Å; T354-W356 PolarHBondContact O-N 3.17Å
357F37.2Very low34.9Very low150 Ų150119.7 Ų119.766%0.65868%0.675SS**G310 helixtrans-102.6-10.9-178.1-68.1-81.7000114.8T354 E355 V431 L435T354-F357 HydrophobicContact CG2-CD2 4.11Å; T354-F357 HydrophobicContact CG2-CE2 4.03Å; E355-F357 PolarHBondContact O-N 3.29Å; F357-V431 HydrophobicContact CD1-CG1 3.97Å; F357-V431 HydrophobicContact CE1-CG1 3.97Å; F357-L435 HydrophobicContact CE1-CD1 4.19Å
358A33.5Very low34.2Very low95 Ų95122 Ų12279%0.78569%0.685SS**THydrogen-bonded Turntrans-106.9-15.6-169.700000114.7E355E355-A358 PolarHBondContact O-N 2.95Å; E355-A358 VanDerWaalsContact O-N 3.15Å
359S26.3Very low33.8Very low47 Ų47119.3 Ų119.333%0.32968%0.68SS.*  trans-122122.3-179.3177.10000110.5Y361S359-Y361 VanDerWaalsContact CB-CE2 3.48Å; S359-Y361 PolarHBondContact O-N 3.32Å; S359-Y361 PolarHBondContact OG-N 3.16Å
360P30.1Very low33.2Very low129 Ų129126.3 Ų126.384%0.83870%0.695SS**  trans-70.781.3156.531.8-29.5000106.3S362P360-S362 PolarHBondContact O-N 3.18Å
361Y33.8Very low33Very low132 Ų132128.5 Ų128.552%0.51869%0.694SS.*  trans-56.2113.9-177.7-78.5-82.6000108.8E355 S359 M363E355-Y361 WeakPolarHBondContact CB-OH 3.4Å; E355-Y361 PolarHBondContact OE2-OH 3.16Å; S359-Y361 VanDerWaalsContact CB-CE2 3.48Å; S359-Y361 PolarHBondContact O-N 3.32Å; S359-Y361 PolarHBondContact OG-N 3.16Å; Y361-M363 PolarHBondContact O-N 3.5Å
362S29.6Very low32.8Very low81 Ų81132.1 Ų132.157%0.56671%0.713SS**  trans-40.2114.2160178.50000108.4P360 H364P360-S362 PolarHBondContact O-N 3.18Å; S362-H364 PolarHBondContact O-N 2.9Å; S362-H364 PolarHBondContact OG-CD2 3.19Å; S362-H364 VanDerWaalsContact OG-CG 3.23Å
363M32.1Very low32.4Very low191 Ų191135.9 Ų135.994%0.94172%0.72SS**  trans-7351.1173-79.6-76.2-148.700110.1Y361Y361-M363 PolarHBondContact O-N 3.5Å
364H32Very low32.4Very low150 Ų150134.7 Ų134.769%0.69472%0.722SS**  trans-100.593.3171.6-72.9-14.5000108.6S362S362-H364 PolarHBondContact O-N 2.9Å; S362-H364 PolarHBondContact OG-CD2 3.19Å; S362-H364 VanDerWaalsContact OG-CG 3.23Å
365S27.5Very low32Very low112 Ų112138.7 Ų138.778%0.78374%0.741SS**  trans47.685.8146.158.50000116.5
366L31.3Very low32.3Very low166 Ų166141.3 Ų141.387%0.86976%0.758SS**  trans-112.9144.3151.5-74174.2000109.6
367P31.7Very low31.9Very low114 Ų114135.8 Ų135.874%0.7476%0.759SS**  trans-80.5142.4-151.229.7-36.1000113.8
368V31.8Very low31.7Very low128 Ų128134.4 Ų134.478%0.77676%0.764SS**  trans-59.8129.7166.9178.20000109.3R370V368-R370 PolarHBondContact O-N 2.94Å; V368-R370 VanDerWaalsContact O-N 3.1Å
369P31.2Very low31.7Very low113 Ų113135.6 Ų135.673%0.73477%0.767SS**  trans-62.4112.2176-2233.2000111.5T371P369-T371 PolarHBondContact O-N 2.91Å; P369-T371 VanDerWaalsContact O-N 3.13Å
370R29.7Very low32Very low246 Ų246140 Ų14093%0.92879%0.787SS**  trans-81.775.4171.9-71.3-173.4-175.8147.6-2111.2V368V368-R370 PolarHBondContact O-N 2.94Å; V368-R370 VanDerWaalsContact O-N 3.1Å
371T30.1Very low32.4Very low118 Ų118139.5 Ų139.572%0.72479%0.787SS**  trans-152.880.3167.545.70000112.5P369P369-T371 PolarHBondContact O-N 2.91Å; P369-T371 VanDerWaalsContact O-N 3.13Å
372L33.1Very low32.7Very low174 Ų174138.8 Ų138.891%0.91179%0.792SS**  trans-151.587.3137.5-83.1-168.4000107.4S374L372-S374 PolarHBondContact O-N 3.29Å
373Q31.9Very low33.3Very low199 Ų199144.5 Ų144.593%0.9381%0.809SS**  trans-75.6109.5167-76.1176.4-77.500108.6
374S35.6Very low33.9Very low101 Ų101141.7 Ų141.771%0.70680%0.798SS**  trans-144.281.8163.763.30000110.4L372L372-S374 PolarHBondContact O-N 3.29Å
375N32.6Very low34.3Very low156 Ų156141.2 Ų141.283%0.83480%0.801SS**  trans24.4100.9147.7-53.3-22.4000117.7
376L37.8Very low34.9Very low180 Ų180144.6 Ų144.694%0.94280%0.801SS**  trans-156.9132.4143.4-97.8143000107.4
377G30.1Very low35.2Very low70 Ų70145.4 Ų145.472%0.72280%0.802SS**  trans-81.7167.2-151.400000117.4
378P33.5Very low35.3Very low120 Ų120150.2 Ų150.278%0.77981%0.808SS**  trans-83.4129.6177.433.3-32.1000111.8
379S34.4Very low35.6Very low121 Ų121149.7 Ų149.785%0.84681%0.807SS**  trans-98.8107.2162-1750000108.7
380N32.9Very low36Very low139 Ų139153.9 Ų153.974%0.74381%0.813SS**  trans-70.9141.9173.2-63.2-30.6000110.4
381S38.7Very low36.2Very low119 Ų119148.1 Ų148.183%0.83281%0.806SS**  trans-146.3114.3145.251.70000109.5
382D39.1Very low36.6Very low117 Ų117148.3 Ų148.363%0.62681%0.809SS**  trans-65.7148.7176.8-56.2-89.3000111.5
383H43Very low36.7Very low201 Ų201146.7 Ų146.793%0.93180%0.801SS**  trans-150.3113.3132.7-87.6-35.6000111.7
384N43.1Very low36.9Very low132 Ų132144.6 Ų144.671%0.70680%0.795SS**  trans-75.5145.7174.9-68.1-72.9000111.9
385N40.3Very low36.7Very low140 Ų140144.2 Ų144.275%0.74979%0.792SS**  trans-178.3107.2133.4-90.4-35.1000109.6
386K40.7Very low36.8Very low182 Ų182142.9 Ų142.979%0.79179%0.79SS**  7097.889.4-75-174.6-176.6172.80115.3
387M37.4Very low36.6Very low183 Ų183142.4 Ų142.490%0.90178%0.783SS**  -169.4158.9117.6-104.2-62.6177.200112.1
388Y34.1Very low36.6Very low216 Ų216150 Ų15085%0.84779%0.79SS**  trans-96.2162.3-156.3-86.1-105.2000116.4
389P37.9Very low36.6Very low117 Ų117153.7 Ų153.776%0.7679%0.793SS**  trans-95.2158.3174.338-35000114.9
390K39.8Very low36.4Very low201 Ų201152.1 Ų152.187%0.87478%0.782SS**  trans-149.7141.8162.7-78.9-179.5177.4175.70106.2
391T35Very low36.4Very low125 Ų125155.8 Ų155.877%0.76779%0.787SS**  cis-160.1143.46.88.70000108.3
392P37.6Very low35.9Very low122 Ų122159.2 Ų159.279%0.79279%0.79SS**  trans-91158.1170.336.4-32.9000111.8
393N34.9Very low35.5Very low140 Ų140159 Ų15975%0.74980%0.798SS**  trans-149108.2166.1-145.3-2.2000112
394I35.3Very low34.9Very low154 Ų154154.1 Ų154.179%0.7979%0.786SS**  trans40.1140.8131.4-58.9-179.3000118.3
395S31.9Very low34.2Very low93 Ų93156 Ų15665%0.6580%0.796SS**  cis173.8136.8-14.7171.20000106.4
396T34.9Very low33.7Very low129 Ų129154.2 Ų154.279%0.79180%0.795SS**  trans-166.7134.6130.84.20000114.4
397Q33.6Very low33.1Very low169 Ų169153.5 Ų153.579%0.7979%0.794SS**  trans64.693.4154.2-51.8-140.912.100120.2
398R31.3Very low32.6Very low231 Ų231156 Ų15687%0.87279%0.793SS**  trans-45.2137.9140.3-74.9167.6153.1169.6-8.9111.8
399K32.5Very low32.3Very low196 Ų196151.8 Ų151.885%0.85278%0.784SS**  -142.8120.8124.1-85.4-168.2-178.9176.50109.2
400S30.2Very low32.1Very low88 Ų88152.4 Ų152.462%0.61578%0.78SS**  trans-121.5107.7178.449.50000108
401Y32.3Very low31.5Very low217 Ų217150 Ų15085%0.85178%0.776SS**  trans-146.9144.6165.4-69.8-68.5000109.4
402E29.6Very low31.3Very low191 Ų191148.1 Ų148.189%0.89377%0.765SS**  trans-73.7176.2-177.9-66.2149.3109.100112.9
403S31Very low30.9Very low112 Ų112146.3 Ų146.378%0.78376%0.76SS**  trans115151.1147.1-158.50000116.9
404S30.1Very low30.6Very low99 Ų99147 Ų14769%0.69276%0.764SS**  trans62.6110.5171.2520000117.9S406S404-S406 PolarHBondContact O-N 3.11Å
405N27.4Very low30.4Very low171 Ų171149.5 Ų149.591%0.91476%0.763SS**  trans-37.6108.6142.4-73.6-32.6000110.9
406S30.6Very low30.3Very low103 Ų103152.9 Ų152.972%0.7277%0.769SS**  trans-119.5107.2158.563.70000107.5S404 R408S404-S406 PolarHBondContact O-N 3.11Å; S406-R408 PolarHBondContact O-N 3.47Å
407H27.6Very low30Very low167 Ų167152.3 Ų152.377%0.77377%0.77SS**  trans-46.2117170.9-74-99.9000108.8I409H407-I409 HydrophobicContact CB-CG1 3.84Å; H407-I409 PolarHBondContact O-N 3.48Å
408R27.4Very low29.8Very low235 Ų235149 Ų14989%0.88776%0.761SS**  trans-75.177.6165.2-160.2176-165.3-177.74.7106.9S406 I410S406-R408 PolarHBondContact O-N 3.47Å; R408-I410 PolarHBondContact O-N 3.48Å
409I27.6Very low29.7Very low128 Ų128147.7 Ų147.766%0.65676%0.762SS**  trans-60.293.5170.6-58.6174.7000105.7H407 N411H407-I409 HydrophobicContact CB-CG1 3.84Å; H407-I409 PolarHBondContact O-N 3.48Å; I409-N411 WeakPolarHBondContact CG2-OD1 3.42Å; I409-N411 PolarHBondContact O-N 3.22Å; I409-N411 VanDerWaalsContact O-N 3.13Å
410I32.5Very low29.9Very low129 Ų129145.6 Ų145.666%0.66276%0.759SS**  trans-69.4107.9161-55.9179.2000103.8R408 V412R408-I410 PolarHBondContact O-N 3.48Å; I410-V412 HydrophobicContact CB-CG2 4.25Å; I410-V412 HydrophobicContact CG2-CG2 3.62Å; I410-V412 PolarHBondContact O-N 3.22Å
411N27.5Very low30.1Very low150 Ų150146 Ų14680%0.80276%0.762SS**  trans-63.675.3166.3-81.7-13.8000108.8I409 A413I409-N411 WeakPolarHBondContact CG2-OD1 3.42Å; I409-N411 PolarHBondContact O-N 3.22Å; I409-N411 VanDerWaalsContact O-N 3.13Å; N411-A413 VanDerWaalsContact C-N 3.32Å; N411-A413 PolarHBondContact O-N 2.63Å; N411-A413 VanDerWaalsContact O-N 3.15Å
412V32Very low30.4Very low87 Ų87140.9 Ų140.953%0.52776%0.756SS.*  trans-75.995.8161-175.10000104.9I410 R415I410-V412 HydrophobicContact CB-CG2 4.25Å; I410-V412 HydrophobicContact CG2-CG2 3.62Å; I410-V412 PolarHBondContact O-N 3.22Å; V412-R415 HydrophobicContact CG1-CG 4.05Å
413A29Very low31Very low84 Ų84137.3 Ų137.369%0.69475%0.746SS**  trans-46.1142.9177.400000111.4N411 R415N411-A413 VanDerWaalsContact C-N 3.32Å; N411-A413 PolarHBondContact O-N 2.63Å; N411-A413 VanDerWaalsContact O-N 3.15Å; A413-R415 PolarHBondContact O-N 2.82Å
414D27.3Very low31.7Very low154 Ų154134.9 Ų134.982%0.82473%0.727SS**  trans-26.597.1-177.6-75.2-52.3000113.1Q416D414-Q416 PolarHBondContact O-N 3.38Å
415R32.7Very low32.7Very low207 Ų207136.9 Ų136.978%0.78172%0.719SS**  trans-78.470169.2-74.6-165.4172.6-159.7-1.1108.9V412 A413 S417V412-R415 HydrophobicContact CG1-CG 4.05Å; A413-R415 PolarHBondContact O-N 2.82Å; R415-S417 PolarHBondContact O-N 2.89Å
416Q29.1Very low34Very low164 Ų164131 Ų13177%0.76669%0.692SS**  trans-36.3133.2149.7-67-176.6-3.700108.2D414 V418D414-Q416 PolarHBondContact O-N 3.38Å; Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 3.02Å
417S28.3Very low35.1Very low117 Ų117129.3 Ų129.382%0.81868%0.677SS**  trans-46.690.8-168.548.60000113.3R415 K419R415-S417 PolarHBondContact O-N 2.89Å; S417-K419 VanDerWaalsContact C-N 3.28Å; S417-K419 PolarHBondContact O-N 3.24Å
418V30.1Very low36.4Very low100 Ų100123.5 Ų123.561%0.60666%0.655SS**  trans-6799.4164.4-179.90000104.7Q416 L420Q416-V418 VanDerWaalsContact C-N 3.34Å; Q416-V418 PolarHBondContact O-N 3.02Å; V418-L420 HydrophobicContact CG1-CD2 3.98Å; V418-L420 HydrophobicContact CG1-CG 4.3Å; V418-L420 PolarHBondContact O-N 3.22Å
419K29.4Very low37.8Very low203 Ų203116.3 Ų116.388%0.88363%0.634SS**  trans-56.287.9162.6-95.7-178.8170.3176.80107S417 S421S417-K419 VanDerWaalsContact C-N 3.28Å; S417-K419 PolarHBondContact O-N 3.24Å; K419-S421 PolarHBondContact O-N 2.85Å; K419-S421 VanDerWaalsContact O-N 3.14Å
420L36.8Very low39.2Very low151 Ų151114.4 Ų114.479%0.79163%0.631SS**PPolyproline II helixtrans-62.5117.8173.8-73.3170.9000106.3V418V418-L420 HydrophobicContact CG1-CD2 3.98Å; V418-L420 HydrophobicContact CG1-CG 4.3Å; V418-L420 PolarHBondContact O-N 3.22Å
421S32.6Very low40.4Very low98 Ų98111.3 Ų111.369%0.68562%0.617SS**PPolyproline II helixtrans-52.4131.6176.1177.70000108.4K419 V423K419-S421 PolarHBondContact O-N 2.85Å; K419-S421 VanDerWaalsContact O-N 3.14Å; S421-V423 PolarHBondContact O-N 2.87Å
422P38.5Very low42Very low109 Ų109104.9 Ų104.971%0.70859%0.586SS**PPolyproline II helixtrans-54.8139175.422.9-32.6000109.4T424P422-T424 PolarHBondContact O-N 3.14Å
423V44.3Very low43.5Very low115 Ų115106.7 Ų106.770%0.69759%0.586SS**  trans-60.1103175.5176.10000107.2S421 T427S421-V423 PolarHBondContact O-N 2.87Å; V423-T427 WeakPolarHBondContact CG1-OG1 3.36Å
424T45.5Very low45.2Very low61 Ų61110 Ų11037%0.37459%0.585SS.*  trans-58.7150.6-176.868.20000110.4P422 S426 T427 S428P422-T424 PolarHBondContact O-N 3.14Å; T424-S426 PolarHBondContact O-N 3.02Å; T424-S426 PolarHBondContact OG1-OG 3.39Å; T424-T427 PolarHBondContact N-OG1 3.19Å; T424-T427 VanDerWaalsContact N-OG1 3.15Å; T424-T427 PolarHBondContact O-N 3.09Å; T424-T427 PolarHBondContact O-OG1 3.08Å; T424-T427 PolarHBondContact OG1-OG1 2.99Å; T424-T427 VanDerWaalsContact OG1-OG1 3.11Å; T424-S428 PolarHBondContact O-N 3.19Å
425R49.5Very low46.6Very low142 Ų142107.1 Ų107.154%0.53657%0.569SS.*Hα-helixtrans-51.8-26.9173.2-74.8-180168.2-163-8.2113D345 S428 L429D345-R425 IonicContact OD1-CZ 3.04Å; D345-R425 IonicContact OD1-NE 2.63Å; D345-R425 PolarHBondContact OD1-NE 3.04Å; D345-R425 VanDerWaalsContact OD1-NE 3.14Å; D345-R425 IonicContact OD1-NH2 3.22Å; D345-R425 PolarHBondContact OD1-NH2 2.91Å; R425-S428 PolarHBondContact O-OG 2.89Å; R425-S428 VanDerWaalsContact O-OG 3.13Å; R425-L429 VanDerWaalsContact O-CB 3.29Å; R425-L429 WeakPolarHBondContact O-CB 3.49Å; R425-L429 WeakPolarHBondContact O-CD1 3.49Å; R425-L429 WeakPolarHBondContact O-CG 3.44Å; R425-L429 PolarHBondContact O-N 3.11Å
426S54.6Low47.7Very low48 Ų48100.1 Ų100.134%0.33656%0.555SS.*Hα-helixtrans-66.6-36.7175.679.40000113.5T424 C430T424-S426 PolarHBondContact O-N 3.02Å; T424-S426 PolarHBondContact OG1-OG 3.39Å; S426-C430 VanDerWaalsContact O-CB 3.32Å; S426-C430 WeakPolarHBondContact O-CB 3.17Å; S426-C430 PolarHBondContact O-N 3.24Å; S426-C430 VanDerWaalsContact O-N 3.08Å
427T53.6Low49Very low67 Ų6796.9 Ų96.941%0.41155%0.551SS.*Hα-helixtrans-75.3-40.6178.527.90000112.1V423 T424 C430 V431V423-T427 WeakPolarHBondContact CG1-OG1 3.36Å; T424-T427 PolarHBondContact N-OG1 3.19Å; T424-T427 VanDerWaalsContact N-OG1 3.15Å; T424-T427 PolarHBondContact O-N 3.09Å; T424-T427 PolarHBondContact O-OG1 3.08Å; T424-T427 PolarHBondContact OG1-OG1 2.99Å; T424-T427 VanDerWaalsContact OG1-OG1 3.11Å; T427-C430 PolarHBondContact O-N 3.37Å; T427-V431 WeakPolarHBondContact O-CG2 3.33Å; T427-V431 PolarHBondContact O-N 2.86Å; T427-V431 VanDerWaalsContact O-N 3.09Å
428S55.4Low50Low44 Ų4496.6 Ų96.631%0.30854%0.539SS..Hα-helixtrans-66.9-42.3174.555.80000112.3T424 R425 C430 V431 A432T424-S428 PolarHBondContact O-N 3.19Å; R425-S428 PolarHBondContact O-OG 2.89Å; R425-S428 VanDerWaalsContact O-OG 3.13Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact O-N 3.1Å; S428-V431 PolarHBondContact O-N 3.05Å; S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.08Å
429L57.4Low50.7Low85 Ų85100 Ų10045%0.44555%0.548SS..Hα-helixtrans-61.2-36.7172.9-81.9164.8000112.9R425 K433R425-L429 VanDerWaalsContact O-CB 3.29Å; R425-L429 WeakPolarHBondContact O-CB 3.49Å; R425-L429 WeakPolarHBondContact O-CD1 3.49Å; R425-L429 WeakPolarHBondContact O-CG 3.44Å; R425-L429 PolarHBondContact O-N 3.11Å; L429-K433 VanDerWaalsContact O-CB 3.24Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 2.94Å
430C57.5Low51.4Low87 Ų8794.5 Ų94.559%0.58853%0.534SS*.Hα-helixtrans-65.8-43.5176.5-167.90000111.7S426 T427 S428 K434S426-C430 VanDerWaalsContact O-CB 3.32Å; S426-C430 WeakPolarHBondContact O-CB 3.17Å; S426-C430 PolarHBondContact O-N 3.24Å; S426-C430 VanDerWaalsContact O-N 3.08Å; T427-C430 PolarHBondContact O-N 3.37Å; S428-C430 VanDerWaalsContact C-N 3.31Å; S428-C430 PolarHBondContact O-N 3.1Å; C430-K434 WeakPolarHBondContact O-CB 3.4Å; C430-K434 PolarHBondContact O-N 3.29Å
431V57.2Low51.2Low64 Ų6490.8 Ų90.839%0.38852%0.521SS..Hα-helixtrans-64.5-48.5174.8173.50000110.9F357 T427 S428 K433 K434 L435F357-V431 HydrophobicContact CD1-CG1 3.97Å; F357-V431 HydrophobicContact CE1-CG1 3.97Å; T427-V431 WeakPolarHBondContact O-CG2 3.33Å; T427-V431 PolarHBondContact O-N 2.86Å; T427-V431 VanDerWaalsContact O-N 3.09Å; S428-V431 PolarHBondContact O-N 3.05Å; V431-K433 PolarHBondContact O-N 2.99Å; V431-K434 WeakPolarHBondContact O-CB 3.48Å; V431-K434 PolarHBondContact O-N 3Å; V431-K434 VanDerWaalsContact O-N 3.11Å; V431-L435 HydrophobicContact CG1-CD1 4.05Å; V431-L435 HydrophobicContact CG1-CG 4.43Å; V431-L435 WeakPolarHBondContact O-CG 3.41Å; V431-L435 PolarHBondContact O-N 3.15Å
432A60.7Low51.6Low16 Ų1691.5 Ų91.513%0.13252%0.523CS..Hα-helixtrans-56.6-46.217700000112.3F337 S428 K434 L435 A436F337-A432 HydrophobicContact CE1-CB 3.93Å; S428-A432 WeakPolarHBondContact O-CB 3.4Å; S428-A432 PolarHBondContact O-N 3.08Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.2Å; A432-L435 PolarHBondContact O-N 2.97Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.09Å
433K62.8Low51.7Low124 Ų12490.1 Ų90.154%0.53952%0.52SS..Hα-helixtrans-66.9-32.6177.8-167.1166.5-173.3168.50112.4L429 V431 S437L429-K433 VanDerWaalsContact O-CB 3.24Å; L429-K433 WeakPolarHBondContact O-CB 3.48Å; L429-K433 PolarHBondContact O-N 2.94Å; V431-K433 PolarHBondContact O-N 2.99Å; K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.26Å; K433-S437 PolarHBondContact O-N 3.37Å
434K65Low51.4Low153 Ų15390 Ų9067%0.66552%0.52SS*.Hα-helixtrans-70.4-39.4174-166.3176.1-178.2-174.90111.9C430 V431 A432 S437 I438C430-K434 WeakPolarHBondContact O-CB 3.4Å; C430-K434 PolarHBondContact O-N 3.29Å; V431-K434 WeakPolarHBondContact O-CB 3.48Å; V431-K434 PolarHBondContact O-N 3Å; V431-K434 VanDerWaalsContact O-N 3.11Å; A432-K434 VanDerWaalsContact C-N 3.32Å; A432-K434 PolarHBondContact O-N 3.2Å; K434-S437 PolarHBondContact O-N 2.88Å; K434-I438 WeakPolarHBondContact O-CG1 3.31Å; K434-I438 PolarHBondContact O-N 2.96Å
435L58.1Low51Low94 Ų9496.8 Ų96.849%0.49254%0.54SS..Hα-helixtrans-67.2-47.6174.5-69.5173.5000111.8F357 V431 A432 S437 I438F357-L435 HydrophobicContact CE1-CD1 4.19Å; V431-L435 HydrophobicContact CG1-CD1 4.05Å; V431-L435 HydrophobicContact CG1-CG 4.43Å; V431-L435 WeakPolarHBondContact O-CG 3.41Å; V431-L435 PolarHBondContact O-N 3.15Å; A432-L435 PolarHBondContact O-N 2.97Å; L435-S437 PolarHBondContact O-N 3.48Å; L435-I438 HydrophobicContact CD2-CD1 4.48Å; L435-I438 WeakPolarHBondContact O-CB 3.28Å; L435-I438 PolarHBondContact O-N 3.31Å
436A54.8Low50Low60 Ų6094.7 Ų94.750%0.49655%0.547SS..Hα-helixtrans-63.1-24.7175.600000113.2V334 A432 I438V334-A436 HydrophobicContact CG2-CB 4.49Å; A432-A436 WeakPolarHBondContact O-CB 3.41Å; A432-A436 PolarHBondContact O-N 3.09Å; A436-I438 VanDerWaalsContact C-N 3.35Å
437S56.6Low49.2Very low97 Ų9797 Ų9768%0.67856%0.564SS**THydrogen-bonded Turntrans-78.1-15.1172.7-177.40000113.7K433 K434 L435 Q439K433-S437 VanDerWaalsContact O-CB 3.25Å; K433-S437 WeakPolarHBondContact O-CB 3.26Å; K433-S437 PolarHBondContact O-N 3.37Å; K434-S437 PolarHBondContact O-N 2.88Å; L435-S437 PolarHBondContact O-N 3.48Å; S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.23Å; S437-Q439 VanDerWaalsContact O-N 3.16Å
438I49.3Very low48.2Very low111 Ų111103.4 Ų103.457%0.56959%0.586SS**  trans-84.883.5171.9-61.9161.9000106.6K434 L435 A436K434-I438 WeakPolarHBondContact O-CG1 3.31Å; K434-I438 PolarHBondContact O-N 2.96Å; L435-I438 HydrophobicContact CD2-CD1 4.48Å; L435-I438 WeakPolarHBondContact O-CB 3.28Å; L435-I438 PolarHBondContact O-N 3.31Å; A436-I438 VanDerWaalsContact C-N 3.35Å
439Q45.6Very low47.1Very low170 Ų170105.3 Ų105.379%0.79460%0.599SS**PPolyproline II helixtrans-60.2127.3162.5-79.6-156.6-6.900108.2S437 S441S437-Q439 VanDerWaalsContact C-N 3.33Å; S437-Q439 PolarHBondContact O-N 3.23Å; S437-Q439 VanDerWaalsContact O-N 3.16Å; Q439-S441 PolarHBondContact O-N 3.19Å
440P44.3Very low45.8Very low88 Ų88109.6 Ų109.657%0.57162%0.621SS**PPolyproline II helixtrans-59.9130.3171.125.5-32.5000108.2
441S32.9Very low44.7Very low74 Ų74112.7 Ų112.752%0.51763%0.63SS.*PPolyproline II helixtrans-54.2131.7176.4179.50000109.4Q439 A443 V444Q439-S441 PolarHBondContact O-N 3.19Å; S441-A443 PolarHBondContact O-N 2.89Å; S441-V444 PolarHBondContact O-N 3.04Å
442P40.3Very low43.4Very low112 Ų112114.2 Ų114.273%0.72764%0.644SS**G310 helixtrans-54-21.6178.4-28.335.3000113.9V444 Y445P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.16Å; P442-Y445 PolarHBondContact O-N 2.75Å
443A39.4Very low41.9Very low80 Ų80117.9 Ų117.966%0.66167%0.668SS**G310 helixtrans-62.1-14.1175.800000115.2S441S441-A443 PolarHBondContact O-N 2.89Å
444V39.9Very low40.3Very low113 Ų113118.2 Ų118.269%0.68568%0.683SS**G310 helixtrans-80.5-18.2177.6-173.30000112S441 P442 S446S441-V444 PolarHBondContact O-N 3.04Å; P442-V444 PolarHBondContact O-N 3.16Å; P442-V444 VanDerWaalsContact O-N 3.16Å; V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 3.44Å; V444-S446 VanDerWaalsContact O-N 3.12Å
445Y35.4Very low38.7Very low203 Ų203118.7 Ų118.780%0.79669%0.692SS**  trans-87.566170.9-76.3-83.1000111.4P442P442-Y445 PolarHBondContact O-N 2.75Å
446S29.7Very low37.5Very low98 Ų98124.1 Ų124.169%0.68571%0.712SS**  trans-133.643.8169.6-147.70000112.8V444 K448V444-S446 VanDerWaalsContact C-N 3.3Å; V444-S446 PolarHBondContact O-N 3.44Å; V444-S446 VanDerWaalsContact O-N 3.12Å; S446-K448 PolarHBondContact O-N 2.98Å
447S36.8Very low36.4Very low98 Ų98130 Ų13069%0.68573%0.732SS**  trans-84.396.4163.948.10000109.9S449S447-S449 PolarHBondContact O-N 3.33Å
448K32.6Very low35.1Very low201 Ų201128.4 Ų128.487%0.87473%0.73SS**  trans-66.572.2163.2-68.3179.1178.7177.50110S446 L450S446-K448 PolarHBondContact O-N 2.98Å; K448-L450 PolarHBondContact O-N 3.18Å
449S32.1Very low34.3Very low83 Ų83129 Ų12958%0.5874%0.738SS**  trans-88.495.3166.760.10000109S447 I451S447-S449 PolarHBondContact O-N 3.33Å; S449-I451 PolarHBondContact O-N 3.07Å
450L31.7Very low33.7Very low175 Ų175126.8 Ų126.892%0.91674%0.739SS**  trans-66.183.4161.2-79.9159.7000108.5K448K448-L450 PolarHBondContact O-N 3.18Å
451I33.2Very low33.1Very low152 Ų152128.8 Ų128.878%0.77975%0.745SS**  trans-102.9101.2163.3-61.2179.8000106.2S449S449-I451 PolarHBondContact O-N 3.07Å
452S31Very low33Very low96 Ų96132.4 Ų132.467%0.67176%0.759SS**  trans-67.6163177.141.40000112.3
453S28Very low32.4Very low93 Ų93132.5 Ų132.565%0.6576%0.76SS**  trans80.6106.6163.3-43.70000116.8L455S453-L455 PolarHBondContact O-N 3.43Å
454P30.7Very low32Very low131 Ų131138.4 Ų138.485%0.85177%0.771SS**  trans-73.8100154.131.2-29.2000108.5K456P454-K456 PolarHBondContact O-N 3.2Å
455L31.2Very low31.5Very low164 Ų164139.7 Ų139.786%0.85977%0.774SS**  trans-68.9100.1170.8-84.4173.5000109.8S453 M457S453-L455 PolarHBondContact O-N 3.43Å; L455-M457 PolarHBondContact O-N 3.46Å; L455-M457 VanDerWaalsContact O-N 3.08Å
456K32.3Very low31.6Very low208 Ų208136 Ų13690%0.90478%0.777SS**  trans-77.883.2177.5-173.7-179.8178.8-178.80110.4P454P454-K456 PolarHBondContact O-N 3.2Å
457M31.2Very low32Very low184 Ų184138.2 Ų138.291%0.90678%0.782SS**  trans-140.1142.1158.3-63.7-153.9-5600107.2L455L455-M457 PolarHBondContact O-N 3.46Å; L455-M457 VanDerWaalsContact O-N 3.08Å
458G30.3Very low31.8Very low63 Ų63136.4 Ų136.465%0.64978%0.779SS**  cis169.3131.20.100000105P460G458-P460 VanDerWaalsContact O-CD 3.28Å; G458-P460 WeakPolarHBondContact O-CD 3.41Å
459V30.7Very low31.8Very low122 Ų122138.6 Ų138.674%0.73978%0.783SS**  trans-64.7121.3-172.7-179.70000109.6D461V459-D461 VanDerWaalsContact C-N 3.32Å; V459-D461 HydrophobicContact CG1-CB 4.17Å; V459-D461 WeakPolarHBondContact CG1-OD2 3.11Å; V459-D461 PolarHBondContact O-N 2.65Å
460P33.8Very low31.9Very low124 Ų124143.2 Ų143.281%0.80579%0.793SS**  trans-93.165.9175.137-30000109.9G458G458-P460 VanDerWaalsContact O-CD 3.28Å; G458-P460 WeakPolarHBondContact O-CD 3.41Å
461D32.9Very low32.1Very low130 Ų130143 Ų14370%0.69579%0.792SS**  trans-90.2115.3164.6-80.9-34.7000108.9V459V459-D461 VanDerWaalsContact C-N 3.32Å; V459-D461 HydrophobicContact CG1-CB 4.17Å; V459-D461 WeakPolarHBondContact CG1-OD2 3.11Å; V459-D461 PolarHBondContact O-N 2.65Å
462N29.4Very low32.1Very low151 Ų151140.3 Ų140.381%0.80779%0.785SS**SBendtrans77.1154.6171.6-56.3-46.7000119
463C27.9Very low32.5Very low113 Ų113141.9 Ų141.976%0.76479%0.791SS**  trans74.780171.1-57.10000117.7
464F32.3Very low33Very low204 Ų204145.4 Ų145.490%0.89580%0.797SS**  -141.6137.7125.2-95-68.8000111.6
465L29.4Very low33.5Very low141 Ų141147.7 Ų147.774%0.73880%0.796SS**  trans-58.8138.2-164.5-67.175.9000114.4
466S37.5Very low33.8Very low124 Ų124147 Ų14787%0.86779%0.793SS**  trans-100.6107148.3-66.20000107.7
467D36.7Very low34.3Very low146 Ų146150.3 Ų150.378%0.78181%0.812SS**  trans-63.1144.5174.9-93.4-42.2000112.3
468G32.3Very low34.4Very low60 Ų60148.6 Ų148.662%0.61981%0.807SS**  trans67.1100.6158.100000117.1
469Y33.7Very low34.6Very low246 Ų246153.1 Ų153.197%0.96582%0.815SS**  -175.813087-103.8-83.5000110.2
470K33.2Very low34.8Very low181 Ų181154.8 Ų154.879%0.78782%0.819SS**  trans-90.6126.4-173.6-174.1-173.6-173.7-174.20110.1
471L36.5Very low34.9Very low171 Ų171156.6 Ų156.690%0.89582%0.82SS**  trans-153110160.1-112.1159.4000109.4
472C33Very low35Very low95 Ų95158.3 Ų158.364%0.64283%0.828SS**  trans-100.8131.5-179.1-52.70000109.7
473V39.5Very low35.4Very low129 Ų129158.8 Ų158.878%0.78283%0.829SS**  trans-163.7112.4150.4-177.60000102.6
474E38.9Very low36Very low167 Ų167162.1 Ų162.178%0.7883%0.834SS**  cis728134.1-158.5171.7-130.900114.7
475E40.5Very low36.2Very low178 Ų178158.8 Ų158.883%0.83283%0.829SS**  trans-168.4104.1155.8-104166.5-168.400104.5
476N37.7Very low36.8Very low149 Ų149160.3 Ų160.380%0.79784%0.837SS**  6281.268-72.4-18.6000114.8
477E42.3Very low36.8Very low278 Ų278163.6 Ų163.6100%1.29983%0.834SS**  -151.90122.9-112.9-176.8175.700110.2

Retrieved 477 of 477 residues in 113.3 ms (Link to these results)