A0A3Q0KQW1_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A3Q0KQW1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 255 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low28.8Very low244 Ų244155.5 Ų155.5100%1.20281%0.814SS**  0102.80-93.1170.215000109.2
2K30.1Very low28.4Very low215 Ų215160 Ų16094%0.93582%0.815SS**  trans-160.7114.2157.6-109173-175.1-179.20107.9
3S24.8Very low28.2Very low98 Ų98159.1 Ų159.169%0.68581%0.813SS**  trans-88.1141.9169.6175.90000107.9
4V30.2Very low28.2Very low147 Ų147160 Ų16089%0.89181%0.812SS**  trans-134.5127.8153.5179.30000107.9
5H31.4Very low28Very low167 Ų167157.7 Ų157.777%0.77380%0.801SS**  trans-67.2151.6-172.9-107.4-77.1000114.3
6L27.2Very low27.9Very low147 Ų147157.2 Ų157.277%0.7780%0.8SS**  trans-51.6147.6166.5-75.399.2000113.4
7N28.8Very low27.7Very low165 Ų165153.3 Ų153.388%0.88279%0.79SS**  trans-126.8129.4143.8-154.39.1000110.1
8N26.9Very low27.7Very low119 Ų119150.6 Ų150.664%0.63678%0.781SS**  trans-80.7133.8-178.7-97.8-13.8000110.5
9N26.1Very low27.6Very low137 Ų137150.1 Ų150.173%0.73378%0.78SS**  150.8133.9123-81.6-25.5000112.6
10N28.5Very low27.5Very low141 Ų141150.7 Ų150.775%0.75478%0.783SS**  trans89.896.2157-56.2-23.1000118.4
11N26.4Very low27.5Very low130 Ų130150.9 Ų150.970%0.69578%0.784SS**  trans64100.5131.9-74.7-11.8000119.1N13N11-N13 PolarHBondContact O-N 2.96Å; N11-N13 VanDerWaalsContact O-N 3.14Å
12Y24.9Very low27.6Very low210 Ų210148.5 Ų148.582%0.82477%0.77SS**  trans41.460.5133.4-65.2-80.4000116.9H14Y12-H14 VanDerWaalsContact C-N 3.32Å
13N24.9Very low27.8Very low148 Ų148146.2 Ų146.279%0.79176%0.763SS**  trans-93.573.6144.5-77.8-30.5000107.7N11 I15N11-N13 PolarHBondContact O-N 2.96Å; N11-N13 VanDerWaalsContact O-N 3.14Å; N13-I15 HydrophobicContact CB-CG1 4.41Å; N13-I15 PolarHBondContact O-N 3.22Å
14H28.7Very low28.3Very low172 Ų172149 Ų14980%0.79677%0.77SS**  trans-75.882.2158.7-130-60000106.2Y12 L16Y12-H14 VanDerWaalsContact C-N 3.32Å; H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 2.79Å
15I25Very low28.8Very low125 Ų125147.7 Ų147.764%0.64176%0.755SS**  trans-53.8102.5161-61.9170.8000104.7N13 S17N13-I15 HydrophobicContact CB-CG1 4.41Å; N13-I15 PolarHBondContact O-N 3.22Å; I15-S17 WeakPolarHBondContact CG2-OG 3.27Å; I15-S17 PolarHBondContact O-N 3.1Å
16L26.9Very low29.4Very low150 Ų150146.7 Ų146.779%0.78575%0.754SS**  trans-63.284.2156.8-100.2145.5000105.5H14 V18H14-L16 VanDerWaalsContact C-N 3.3Å; H14-L16 PolarHBondContact O-N 2.79Å; L16-V18 HydrophobicContact CB-CG2 4.34Å; L16-V18 HydrophobicContact CD2-CG2 3.94Å; L16-V18 PolarHBondContact O-N 2.95Å
17S24.2Very low30.2Very low91 Ų91141.4 Ų141.464%0.63673%0.728SS**  trans-67.786.1155-56.90000104.2I15 D19I15-S17 WeakPolarHBondContact CG2-OG 3.27Å; I15-S17 PolarHBondContact O-N 3.1Å; S17-D19 PolarHBondContact O-N 3.38Å
18V27Very low31.3Very low104 Ų104141.5 Ų141.563%0.6372%0.721SS**  trans-73.4105.6161.3177.50000103.5L16 I20L16-V18 HydrophobicContact CB-CG2 4.34Å; L16-V18 HydrophobicContact CD2-CG2 3.94Å; L16-V18 PolarHBondContact O-N 2.95Å; V18-I20 PolarHBondContact O-N 3.14Å
19D25.9Very low32.2Very low141 Ų141137.5 Ų137.575%0.75470%0.703SS**  trans-50.4114.6168.7-75.1-46.4000107.9S17 D21S17-D19 PolarHBondContact O-N 3.38Å; D19-D21 PolarHBondContact O-N 3.25Å
20I26.8Very low33.2Very low163 Ų163133.2 Ų133.284%0.83668%0.682SS**SBendtrans-74.980.1174.8-60.1168.3000105.2V18V18-I20 PolarHBondContact O-N 3.14Å
21D26.2Very low34.3Very low154 Ų154131.4 Ų131.482%0.82467%0.672SS**  trans-15029.7173.4-89-29.9000112.2D19D19-D21 PolarHBondContact O-N 3.25Å
22E37.7Very low35.5Very low194 Ų194128.4 Ų128.491%0.90766%0.656SS**  trans-103.387156.1-91.1-171.2160.700108.9N24E22-N24 PolarHBondContact O-N 2.75Å
23E34.9Very low36.9Very low167 Ų167119.3 Ų119.378%0.7862%0.622SS**  trans-39.3123.4162.7-171.1179.5-162.100110.3Q25E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 3.28Å
24N36.2Very low38.7Very low156 Ų156113.4 Ų113.483%0.83459%0.59SS**  trans-4182.5172.2-75.2-49.8000113E22 L26E22-N24 PolarHBondContact O-N 2.75Å; N24-L26 VanDerWaalsContact C-N 3.34Å; N24-L26 PolarHBondContact O-N 3.07Å
25Q41.2Very low40.3Very low121 Ų121108.4 Ų108.457%0.56557%0.566SS**  trans-85.889.5162.4-78.2-171.329.900107.1E23E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 3.28Å
26L43.2Very low41.8Very low146 Ų146106.9 Ų106.976%0.76456%0.557SS**  trans-41.7129.8157.8-118.582.9000107.6N24 K28N24-L26 VanDerWaalsContact C-N 3.34Å; N24-L26 PolarHBondContact O-N 3.07Å; L26-K28 PolarHBondContact O-N 3.04Å
27P44.3Very low43.4Very low35 Ų35101.2 Ų101.223%0.22753%0.528CS..  trans-54.8120.7-178.48-15.3000109.2S29 D32 L33P27-S29 PolarHBondContact O-N 2.96Å; P27-D32 HydrophobicContact CB-CB 4Å; P27-L33 HydrophobicContact CB-CB 3.73Å; P27-L33 HydrophobicContact CG-CB 3.7Å; P27-L33 HydrophobicContact CG-CD1 3.68Å; P27-L33 HydrophobicContact CG-CG 4.16Å
28K51.3Low45.2Very low167 Ų16797.4 Ų97.473%0.72650%0.501SS*.SBendtrans-68.5-21.4-174.3-69.3174.5-177.9162.20111.4L26L26-K28 PolarHBondContact O-N 3.04Å
29S45.9Very low47Very low36 Ų3696.9 Ų96.925%0.25249%0.492SS..SBendtrans-140.8156174.871.40000111.8P27 L31 D32 L33P27-S29 PolarHBondContact O-N 2.96Å; S29-L31 PolarHBondContact O-N 2.66Å; S29-L31 VanDerWaalsContact O-N 3.17Å; S29-D32 PolarHBondContact N-OD2 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.47Å; S29-D32 PolarHBondContact O-N 2.79Å; S29-D32 PolarHBondContact OG-N 2.89Å; S29-D32 VanDerWaalsContact OG-N 3.1Å; S29-D32 PolarHBondContact OG-OD2 3.47Å; S29-L33 PolarHBondContact O-N 2.69Å; S29-L33 VanDerWaalsContact O-N 3.13Å
30P47.2Very low48.6Very low47 Ų4798.2 Ų98.231%0.30549%0.487SS..Hα-helixtrans-55.5-29170.6-24.733.9000112.9L33 L34 L159 N160 L163P30-L33 PolarHBondContact O-N 3.19Å; P30-L34 WeakPolarHBondContact O-CB 3.45Å; P30-L34 PolarHBondContact O-N 3.27Å; P30-L159 HydrophobicContact CB-CB 4.05Å; P30-L159 HydrophobicContact CG-CB 4.15Å; P30-N160 WeakPolarHBondContact CA-OD1 3.32Å; P30-L163 HydrophobicContact CB-CD1 3.83Å; P30-L163 VanDerWaalsContact O-CD1 3.23Å; P30-L163 WeakPolarHBondContact O-CD1 3.44Å
31L50.3Low50.2Low102 Ų10293.4 Ų93.453%0.53446%0.462SS..Hα-helixtrans-70.2-37.9176.6-166.368.1000111.6S29 L33 L34 H35S29-L31 PolarHBondContact O-N 2.66Å; S29-L31 VanDerWaalsContact O-N 3.17Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L31-L34 HydrophobicContact CD1-CD2 4.44Å; L31-L34 PolarHBondContact O-N 3.5Å; L31-H35 WeakPolarHBondContact O-CB 3.47Å; L31-H35 PolarHBondContact O-N 3.4Å
32D52.4Low51.9Low68 Ų6887.9 Ų87.936%0.36443%0.433SS..Hα-helixtrans-65.4-40.8173.6-60.8-42.3000110.9P27 S29 H35 Q36P27-D32 HydrophobicContact CB-CB 4Å; S29-D32 PolarHBondContact N-OD2 3.25Å; S29-D32 WeakPolarHBondContact O-CB 3.47Å; S29-D32 PolarHBondContact O-N 2.79Å; S29-D32 PolarHBondContact OG-N 2.89Å; S29-D32 VanDerWaalsContact OG-N 3.1Å; S29-D32 PolarHBondContact OG-OD2 3.47Å; D32-H35 PolarHBondContact O-N 2.78Å; D32-Q36 WeakPolarHBondContact O-CB 3.23Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.5Å; D32-Q36 PolarHBondContact O-N 3.5Å
33L54.2Low52.8Low19 Ų1982.4 Ų82.410%0.09941%0.41CS..Hα-helixtrans-62.9-43.5175.8-179.662.6000111.3P27 S29 P30 L31 T37 L163 I164P27-L33 HydrophobicContact CB-CB 3.73Å; P27-L33 HydrophobicContact CG-CB 3.7Å; P27-L33 HydrophobicContact CG-CD1 3.68Å; P27-L33 HydrophobicContact CG-CG 4.16Å; S29-L33 PolarHBondContact O-N 2.69Å; S29-L33 VanDerWaalsContact O-N 3.13Å; P30-L33 PolarHBondContact O-N 3.19Å; L31-L33 VanDerWaalsContact C-N 3.35Å; L33-T37 VanDerWaalsContact O-CB 3.31Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3.02Å; L33-L163 HydrophobicContact CD2-CB 3.86Å; L33-L163 HydrophobicContact CD2-CD1 4.24Å; L33-I164 HydrophobicContact CD2-CG1 4.41Å
34L62.8Low53.9Low23 Ų2378.2 Ų78.212%0.1239%0.39CS..Hα-helixtrans-60.4-48.4173.9179.762.8000110.5P30 L31 Q36 T37 C38 L163 I216P30-L34 WeakPolarHBondContact O-CB 3.45Å; P30-L34 PolarHBondContact O-N 3.27Å; L31-L34 HydrophobicContact CD1-CD2 4.44Å; L31-L34 PolarHBondContact O-N 3.5Å; L34-Q36 PolarHBondContact O-N 2.88Å; L34-T37 PolarHBondContact O-N 3.29Å; L34-T37 VanDerWaalsContact O-N 3.15Å; L34-C38 WeakPolarHBondContact O-CB 3.2Å; L34-C38 PolarHBondContact O-N 3.49Å; L34-C38 PolarHBondContact O-SG 2.75Å; L34-L163 HydrophobicContact CB-CD2 4.36Å; L34-L163 HydrophobicContact CD1-CD2 4.05Å; L34-I216 HydrophobicContact CD1-CG1 3.91Å; L34-I216 HydrophobicContact CD2-CD1 4.24Å; L34-I216 HydrophobicContact CD2-CG1 3.58Å; L34-I216 HydrophobicContact CG-CG1 4.31Å
35H62.4Low54.6Low67 Ų6772.8 Ų72.831%0.3136%0.364SS..Hα-helixtrans-58.1-49.4-179.9-165.888.6000111.8L31 D32 T37 C38 E39 Y57L31-H35 WeakPolarHBondContact O-CB 3.47Å; L31-H35 PolarHBondContact O-N 3.4Å; D32-H35 PolarHBondContact O-N 2.78Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.01Å; H35-C38 WeakPolarHBondContact O-CB 3.43Å; H35-C38 PolarHBondContact O-N 2.82Å; H35-E39 WeakPolarHBondContact O-CB 3.33Å; H35-E39 PolarHBondContact O-N 3.42Å; H35-Y57 AromaticContact CE1-CZ 3.82Å; H35-Y57 PolarHBondContact CE1-OH 2.86Å
36Q57.7Low55.2Low94 Ų9467.5 Ų67.544%0.43934%0.341SS..Hα-helixtrans-60.8-39.7176.3-72.6176.89.300112D32 L34 E39 R40D32-Q36 WeakPolarHBondContact O-CB 3.23Å; D32-Q36 VanDerWaalsContact O-CG 3.32Å; D32-Q36 WeakPolarHBondContact O-CG 3.5Å; D32-Q36 PolarHBondContact O-N 3.5Å; L34-Q36 PolarHBondContact O-N 2.88Å; Q36-E39 PolarHBondContact O-N 3.13Å; Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.28Å
37T59.4Low55.7Low30 Ų3066.7 Ų66.718%0.18434%0.337CS..Hα-helixtrans-66.2-43.9178.5-58.30000110.9L33 L34 H35 R40 L41L33-T37 VanDerWaalsContact O-CB 3.31Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 PolarHBondContact O-N 3.1Å; L33-T37 PolarHBondContact O-OG1 3.02Å; L34-T37 PolarHBondContact O-N 3.29Å; L34-T37 VanDerWaalsContact O-N 3.15Å; H35-T37 VanDerWaalsContact C-N 3.3Å; H35-T37 PolarHBondContact O-N 3.01Å; T37-R40 PolarHBondContact O-N 2.76Å; T37-L41 HydrophobicContact CG2-CD1 4.17Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.3Å
38C62.7Low56.2Low11 Ų1173.8 Ų73.87%0.07436%0.359CS..Hα-helixtrans-60.3-47173.6-66.20000110.4L34 H35 R40 L41 L42 F55 F219L34-C38 WeakPolarHBondContact O-CB 3.2Å; L34-C38 PolarHBondContact O-N 3.49Å; L34-C38 PolarHBondContact O-SG 2.75Å; H35-C38 WeakPolarHBondContact O-CB 3.43Å; H35-C38 PolarHBondContact O-N 2.82Å; C38-R40 PolarHBondContact O-N 3.17Å; C38-L41 PolarHBondContact O-N 2.95Å; C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å; C38-F55 HydrophobicContact CB-CE1 3.72Å; C38-F55 HydrophobicContact CB-CE2 4.41Å; C38-F55 HydrophobicContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact O-CZ 3.29Å; C38-F55 WeakPolarHBondContact O-CZ 3.35Å; C38-F219 HydrophobicContact CB-CE1 4.16Å; C38-F219 HydrophobicContact CB-CZ 4.11Å; C38-F219 WeakPolarHBondContact SG-CE1 3.49Å; C38-F219 VanDerWaalsContact SG-CZ 3.58Å
39E63.7Low56.3Low93 Ų9368.6 Ų68.644%0.43534%0.339SS..Hα-helixtrans-56.7-49178.6-163.7173.8-171.100112.5H35 Q36 L41 L42 N43 F55H35-E39 WeakPolarHBondContact O-CB 3.33Å; H35-E39 PolarHBondContact O-N 3.42Å; Q36-E39 PolarHBondContact O-N 3.13Å; E39-L41 PolarHBondContact O-N 3.49Å; E39-L42 PolarHBondContact O-N 3.35Å; E39-N43 PolarHBondContact O-N 3.2Å; E39-N43 PolarHBondContact O-ND2 3.31Å; E39-F55 HydrophobicContact CB-CE2 4.29Å
40R60.1Low56.9Low169 Ų16978 Ų7864%0.63837%0.37SS*.Hα-helixtrans-59.5-46.1176.8-176.5176.6168174.2-2.4112.4Q36 T37 C38 L42 N43 E44Q36-R40 WeakPolarHBondContact O-CB 3.23Å; Q36-R40 PolarHBondContact O-N 3.28Å; T37-R40 PolarHBondContact O-N 2.76Å; C38-R40 PolarHBondContact O-N 3.17Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 2.87Å; R40-N43 PolarHBondContact O-N 3.03Å; R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 PolarHBondContact O-N 2.79Å
41L61.1Low57.1Low62 Ų6281.5 Ų81.533%0.32538%0.38SS..Hα-helixtrans-64.8-38.1179.2-78.1165.4000112.3T37 C38 E39 E44 C45 L223T37-L41 HydrophobicContact CG2-CD1 4.17Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.3Å; C38-L41 PolarHBondContact O-N 2.95Å; E39-L41 PolarHBondContact O-N 3.49Å; L41-E44 PolarHBondContact O-N 2.71Å; L41-C45 VanDerWaalsContact O-CB 3.32Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.38Å; L41-L223 HydrophobicContact CD1-CD1 3.57Å; L41-L223 HydrophobicContact CD1-CD2 4.46Å
42L61.3Low57Low38 Ų3882.4 Ų82.420%0.19939%0.392CS..Hα-helixtrans-68.5-40.4-179.9-149.4120.4000111C38 E39 R40 C45 A46 L53 F55C38-L42 WeakPolarHBondContact O-CB 3.36Å; C38-L42 PolarHBondContact O-N 3.44Å; E39-L42 PolarHBondContact O-N 3.35Å; R40-L42 VanDerWaalsContact C-N 3.32Å; R40-L42 PolarHBondContact O-N 2.87Å; L42-C45 PolarHBondContact O-N 3.12Å; L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; L42-L53 HydrophobicContact CD2-CB 3.34Å; L42-L53 WeakPolarHBondContact CD2-O 3.29Å; L42-L53 HydrophobicContact CG-CB 3.8Å; L42-F55 HydrophobicContact CB-CD2 4.42Å; L42-F55 HydrophobicContact CB-CE2 3.44Å; L42-F55 VanDerWaalsContact CB-CE2 3.44Å; L42-F55 HydrophobicContact CB-CZ 3.8Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 4.11Å; L42-F55 HydrophobicContact CD1-CE1 3.85Å; L42-F55 HydrophobicContact CD1-CE2 3.47Å; L42-F55 VanDerWaalsContact CD1-CE2 3.47Å; L42-F55 HydrophobicContact CD1-CG 4.47Å; L42-F55 HydrophobicContact CD1-CZ 3.33Å; L42-F55 HydrophobicContact CD2-CD2 4.01Å; L42-F55 HydrophobicContact CD2-CE2 3.81Å; L42-F55 HydrophobicContact CG-CD2 4.42Å; L42-F55 HydrophobicContact CG-CE2 3.75Å; L42-F55 HydrophobicContact CG-CZ 4.05Å
43N57.4Low56.8Low80 Ų8082.7 Ų82.743%0.42839%0.393SS..Hα-helixtrans-64.4-44.1173.3-71.7-24.8000111.7E39 R40 C45 A46 D47E39-N43 PolarHBondContact O-N 3.2Å; E39-N43 PolarHBondContact O-ND2 3.31Å; R40-N43 PolarHBondContact O-N 3.03Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 3.28Å; N43-A46 WeakPolarHBondContact O-CB 3.34Å; N43-A46 PolarHBondContact O-N 3.07Å; N43-A46 VanDerWaalsContact O-N 3.15Å; N43-D47 PolarHBondContact O-N 3.24Å
44E56.6Low56.6Low79 Ų7990.9 Ų90.937%0.36943%0.428SS..Hα-helixtrans-63-38.7177.5-167179.1165.600111.8R40 L41 R48R40-E44 WeakPolarHBondContact O-CB 3.45Å; R40-E44 PolarHBondContact O-N 2.79Å; L41-E44 PolarHBondContact O-N 2.71Å; E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.09Å; E44-R48 IonicContact OE1-CZ 3.45Å; E44-R48 IonicContact OE1-NE 3.5Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 2.69Å; E44-R48 PolarHBondContact OE1-NH2 3.03Å
45C50.4Low55.7Low42 Ų4293.3 Ų93.328%0.28444%0.437SS..Hα-helixtrans-69.5-36.1175.6-1570000111.8L41 L42 N43 N49 L53L41-C45 VanDerWaalsContact O-CB 3.32Å; L41-C45 WeakPolarHBondContact O-CB 3.46Å; L41-C45 PolarHBondContact O-N 3.38Å; L42-C45 PolarHBondContact O-N 3.12Å; N43-C45 VanDerWaalsContact C-N 3.29Å; N43-C45 PolarHBondContact O-N 3.28Å; C45-N49 WeakPolarHBondContact O-CB 3.43Å; C45-N49 PolarHBondContact O-N 2.92Å; C45-N49 VanDerWaalsContact O-N 3.1Å; C45-N49 PolarHBondContact O-ND2 3.35Å; C45-L53 HydrophobicContact CB-CD1 3.83Å
46A54.9Low54.6Low9 Ų9100.6 Ų100.67%0.07446%0.462CS..Hα-helixtrans-63.5-44.9175.100000111.8L42 N43 N49 R50 K51 L53L42-A46 VanDerWaalsContact O-CB 3.32Å; L42-A46 WeakPolarHBondContact O-CB 3.41Å; L42-A46 PolarHBondContact O-N 2.96Å; N43-A46 WeakPolarHBondContact O-CB 3.34Å; N43-A46 PolarHBondContact O-N 3.07Å; N43-A46 VanDerWaalsContact O-N 3.15Å; A46-N49 CarbonylContact O-C 3.56Å; A46-N49 PolarHBondContact O-N 3.08Å; A46-R50 WeakPolarHBondContact O-CA 3.42Å; A46-R50 PolarHBondContact O-N 3.39Å; A46-K51 CarbonylContact C-O 3.58Å; A46-K51 WeakPolarHBondContact CA-O 3.3Å; A46-K51 WeakPolarHBondContact CB-O 3.39Å; A46-K51 PolarHBondContact O-N 3.03Å; A46-L53 HydrophobicContact CB-CB 4.06Å; A46-L53 HydrophobicContact CB-CD1 4.28Å; A46-L53 HydrophobicContact CB-CG 4.05Å
47D52.9Low53.6Low130 Ų130104.9 Ų104.970%0.69548%0.476SS*.Hα-helixtrans-63.4-47.4178.3-78.1-14.6000111.6N43 N49 R50N43-D47 PolarHBondContact O-N 3.24Å; D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.41Å; D47-R50 PolarHBondContact O-N 3.17Å
48R56.1Low52.4Low183 Ų183110.1 Ų110.169%0.69150%0.501SS*.Hα-helixtrans-60.1-36.8177.5-72.4175.4-174.4-144.24.5112.3E44E44-R48 VanDerWaalsContact O-CG 3.28Å; E44-R48 WeakPolarHBondContact O-CG 3.31Å; E44-R48 PolarHBondContact O-N 2.93Å; E44-R48 VanDerWaalsContact O-N 3.09Å; E44-R48 IonicContact OE1-CZ 3.45Å; E44-R48 IonicContact OE1-NE 3.5Å; E44-R48 PolarHBondContact OE1-NE 3.47Å; E44-R48 IonicContact OE1-NH2 2.69Å; E44-R48 PolarHBondContact OE1-NH2 3.03Å
49N53.3Low50.7Low58 Ų58117.8 Ų117.831%0.3154%0.536SS..Hα-helixtrans-92.3-1-178.4-74-65.2000114.3C45 A46 D47 K51 H230C45-N49 WeakPolarHBondContact O-CB 3.43Å; C45-N49 PolarHBondContact O-N 2.92Å; C45-N49 VanDerWaalsContact O-N 3.1Å; C45-N49 PolarHBondContact O-ND2 3.35Å; A46-N49 CarbonylContact O-C 3.56Å; A46-N49 PolarHBondContact O-N 3.08Å; D47-N49 VanDerWaalsContact C-N 3.26Å; D47-N49 PolarHBondContact O-N 3.41Å; N49-K51 PolarHBondContact O-N 2.9Å; N49-K51 VanDerWaalsContact O-N 3.11Å; N49-H230 PolarHBondContact ND2-NE2 3.27Å; N49-H230 PolarHBondContact OD1-CE1 3.4Å; N49-H230 PolarHBondContact OD1-NE2 2.01Å
50R58.8Low49.1Very low235 Ų235120.7 Ų120.789%0.88755%0.553SS**THydrogen-bonded Turntrans48.432.7-171.6-59.8-177.3177.3167.8-0.3112.9A46 D47A46-R50 WeakPolarHBondContact O-CA 3.42Å; A46-R50 PolarHBondContact O-N 3.39Å; D47-R50 PolarHBondContact O-N 3.17Å
51K49.8Very low47.5Very low120 Ų120117.7 Ų117.752%0.52255%0.554SS.*SBendtrans-132.2122.7-179.6-78.7-174-179.1-1790108.8A46 N49 L53A46-K51 CarbonylContact C-O 3.58Å; A46-K51 WeakPolarHBondContact CA-O 3.3Å; A46-K51 WeakPolarHBondContact CB-O 3.39Å; A46-K51 PolarHBondContact O-N 3.03Å; N49-K51 PolarHBondContact O-N 2.9Å; N49-K51 VanDerWaalsContact O-N 3.11Å; K51-L53 PolarHBondContact O-N 3.3Å
52P49.3Very low45.9Very low121 Ų121118.9 Ų118.979%0.78657%0.567SS**  trans-64.2121177.626.1-32.2000109.8
53L48.4Very low44.3Very low74 Ų74124.5 Ų124.539%0.38759%0.594SS.*  trans-99.1142170.4-61.8171000107.6L42 C45 A46 K51L42-L53 HydrophobicContact CD2-CB 3.34Å; L42-L53 WeakPolarHBondContact CD2-O 3.29Å; L42-L53 HydrophobicContact CG-CB 3.8Å; C45-L53 HydrophobicContact CB-CD1 3.83Å; A46-L53 HydrophobicContact CB-CB 4.06Å; A46-L53 HydrophobicContact CB-CD1 4.28Å; A46-L53 HydrophobicContact CB-CG 4.05Å; K51-L53 PolarHBondContact O-N 3.3Å
54K49.6Very low43Very low191 Ų191127 Ų12783%0.8361%0.607SS**  trans-130.3142.9174.6-75.5-173.5175.7-174.70109.9R56K54-R56 PolarHBondContact O-N 3.48Å
55F43.8Very low41.8Very low73 Ų73130.2 Ų130.232%0.3262%0.622SS.*  trans-61.5128.9165.7-78-86000109.2C38 E39 L42C38-F55 HydrophobicContact CB-CE1 3.72Å; C38-F55 HydrophobicContact CB-CE2 4.41Å; C38-F55 HydrophobicContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact CB-CZ 3.41Å; C38-F55 VanDerWaalsContact O-CZ 3.29Å; C38-F55 WeakPolarHBondContact O-CZ 3.35Å; E39-F55 HydrophobicContact CB-CE2 4.29Å; L42-F55 HydrophobicContact CB-CD2 4.42Å; L42-F55 HydrophobicContact CB-CE2 3.44Å; L42-F55 VanDerWaalsContact CB-CE2 3.44Å; L42-F55 HydrophobicContact CB-CZ 3.8Å; L42-F55 HydrophobicContact CD1-CD1 4.37Å; L42-F55 HydrophobicContact CD1-CD2 4.11Å; L42-F55 HydrophobicContact CD1-CE1 3.85Å; L42-F55 HydrophobicContact CD1-CE2 3.47Å; L42-F55 VanDerWaalsContact CD1-CE2 3.47Å; L42-F55 HydrophobicContact CD1-CG 4.47Å; L42-F55 HydrophobicContact CD1-CZ 3.33Å; L42-F55 HydrophobicContact CD2-CD2 4.01Å; L42-F55 HydrophobicContact CD2-CE2 3.81Å; L42-F55 HydrophobicContact CG-CD2 4.42Å; L42-F55 HydrophobicContact CG-CE2 3.75Å; L42-F55 HydrophobicContact CG-CZ 4.05Å
56R39.7Very low40.8Very low220 Ų220134.9 Ų134.983%0.8364%0.644SS**  trans-105.1114.1164.8-168.9175.1-176.4178.8-0.1106.9K54 I58K54-R56 PolarHBondContact O-N 3.48Å; R56-I58 PolarHBondContact O-N 3.3Å
57Y36.7Very low39.5Very low184 Ų184138.6 Ų138.672%0.72267%0.669SS**  trans-63.6118.8166.2-77.4-91.4000107.8H35H35-Y57 AromaticContact CE1-CZ 3.82Å; H35-Y57 PolarHBondContact CE1-OH 2.86Å
58I34.1Very low38.2Very low141 Ų141138.2 Ų138.272%0.72367%0.667SS**  trans-96.1108.4168.9-55175.3000104.8R56 I60R56-I58 PolarHBondContact O-N 3.3Å; I58-I60 PolarHBondContact O-N 3.49Å; I58-I60 VanDerWaalsContact O-N 3.08Å
59E27.4Very low36.8Very low172 Ų172139.1 Ų139.180%0.80467%0.672SS**  trans-65.7107.8172.1-168.9173.5-156.700107.6T61E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact O-N 3.07Å
60I28.5Very low35.7Very low154 Ų154143.7 Ų143.779%0.7970%0.696SS**  trans-78.290.7169.9-53.2175.2000105I58 S62I58-I60 PolarHBondContact O-N 3.49Å; I58-I60 VanDerWaalsContact O-N 3.08Å; I60-S62 PolarHBondContact O-N 2.93Å
61T27.9Very low34.2Very low106 Ų106140.2 Ų140.265%0.6569%0.69SS**  trans-59.9113.1162.953.70000105.7E59 M63E59-T61 VanDerWaalsContact C-N 3.29Å; E59-T61 PolarHBondContact O-N 3.31Å; E59-T61 VanDerWaalsContact O-N 3.07Å; T61-M63 PolarHBondContact O-N 3.03Å
62S27.5Very low33.1Very low87 Ų87143.1 Ų143.161%0.60870%0.702SS**  trans-54.2116.316359.30000104.7I60 D64I60-S62 PolarHBondContact O-N 2.93Å; S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD1 3.06Å
63M27.7Very low32.1Very low155 Ų155144.8 Ų144.876%0.76471%0.705SS**  trans-60.898.1152.6-90.6-158.5149.100103.2T61 H65T61-M63 PolarHBondContact O-N 3.03Å; M63-H65 PolarHBondContact O-N 3.33Å
64D29.1Very low31.3Very low132 Ų132152.7 Ų152.771%0.70673%0.729SS**  trans-50.895.9154.6-78.1-21.1000104.4S62 N66S62-D64 PolarHBondContact O-N 3.07Å; S62-D64 PolarHBondContact OG-OD1 3.06Å; D64-N66 HydrophobicContact CB-CB 4.39Å; D64-N66 PolarHBondContact O-N 3.11Å
65H31.4Very low30.2Very low148 Ų148152.5 Ų152.569%0.68573%0.734SS**  trans-66.756.3152.2-68.4-52.6000107M63 C67M63-H65 PolarHBondContact O-N 3.33Å; H65-C67 PolarHBondContact O-N 3.1Å
66N29.8Very low29.4Very low140 Ų140155.6 Ų155.675%0.74975%0.754SS**  trans-7173.9147.1-155.63.5000104.9D64 N68D64-N66 HydrophobicContact CB-CB 4.39Å; D64-N66 PolarHBondContact O-N 3.11Å; N66-N68 PolarHBondContact O-N 3.11Å
67C27.5Very low28.9Very low87 Ų87151.5 Ų151.559%0.58875%0.748SS**  trans-51.598157.6-790000105.6H65 Y69H65-C67 PolarHBondContact O-N 3.1Å; C67-Y69 PolarHBondContact O-N 3.42Å
68N25.6Very low28.4Very low121 Ų121149.9 Ų149.965%0.64775%0.752SS**SBendtrans-10.572.9156.1-150.35.4000114N66N66-N68 PolarHBondContact O-N 3.11Å
69Y27.3Very low28.2Very low203 Ų203148.7 Ų148.780%0.79675%0.751SS**  trans-128.557.6169.8-97.7-80.3000106C67C67-Y69 PolarHBondContact O-N 3.42Å
70N29.4Very low28.2Very low153 Ų153147.2 Ų147.282%0.81875%0.749SS**  trans-17553.9148.6-85.7-27.8000109.6K72N70-K72 PolarHBondContact O-N 3.45Å
71Q27.3Very low28.3Very low162 Ų162147.9 Ų147.976%0.75775%0.754SS**  trans-7371158.7-166.8-177.343.700108.9
72K27.9Very low28.4Very low181 Ų181150.6 Ų150.679%0.78776%0.763SS**SBendtrans159.491.4160.7-98.5170.1173.4174.80109N70N70-K72 PolarHBondContact O-N 3.45Å
73N28.5Very low28.4Very low157 Ų157153.2 Ų153.284%0.8477%0.771SS**SBendtrans165.589137-86.2-19.4000109.9
74R31.2Very low28.6Very low240 Ų240154.7 Ų154.791%0.90677%0.773SS**  trans160.775.9134.3-88.9173.2170.6175.6-2.6108.6
75M25.7Very low28.4Very low187 Ų187154.4 Ų154.492%0.92178%0.776SS**  trans-60.5146.1136.8-77.2-155.9-8200107.5
76N27.7Very low28.1Very low138 Ų138155.4 Ų155.474%0.73879%0.786SS**  trans90.989.3165.7-133.827.4000116.9
77N29.8Very low27.9Very low134 Ų134153.2 Ų153.272%0.71779%0.788SS**  176.6111.7100.8-87.9-14.3000111.3
78N26.3Very low27.8Very low149 Ų149157.2 Ų157.280%0.79780%0.803SS**  trans24.3130.3138.8-78.3-7.1000121.1
79V28.7Very low27.8Very low117 Ų117157 Ų15771%0.70981%0.806SS**  trans129.9114.7130.2-1760000112.8
80N28.2Very low27.7Very low140 Ų140152.8 Ų152.875%0.74980%0.801SS**  trans61.895.9157-60-9000119.1
81D30.3Very low27.3Very low168 Ų168150.5 Ų150.590%0.89879%0.789SS**  -173.791.4123.6-97.2-24.7000108.8
82L29.8Very low27.3Very low163 Ų163149.2 Ų149.285%0.85379%0.786SS**  trans-128.674.8171.4-158.293.1000107.8
83D27.8Very low27.1Very low143 Ų143147.8 Ų147.877%0.76578%0.782SS**SBendtrans-13494.5151.2-105.8-37000110.1
84K30.6Very low26.9Very low185 Ų185147.3 Ų147.380%0.80478%0.779SS**  trans83.267.6149.6-60.7174-177.3171.90118.5
85T25.4Very low26.7Very low127 Ų127143.1 Ų143.178%0.77978%0.775SS**  -81.3112.512839.60000108.6
86N25.5Very low26.7Very low168 Ų168139 Ų13990%0.89877%0.771SS**  trans176.893.3153.7-91.6-16.6000110.7
87A25.6Very low26.6Very low95 Ų95136.9 Ų136.979%0.78577%0.767SS**  trans-164.372.1145.900000109.6T89A87-T89 PolarHBondContact O-N 2.83Å
88L26.5Very low26.4Very low171 Ų171140.1 Ų140.190%0.89578%0.775SS**  trans-67.1103.7153.5-171.883.8000106.7
89T24.3Very low26.4Very low115 Ų115138.2 Ų138.271%0.70677%0.771SS**  trans-145.684.4165-48.60000109.3A87 N91A87-T89 PolarHBondContact O-N 2.83Å; T89-N91 HydrophobicContact CG2-CB 4.07Å; T89-N91 PolarHBondContact O-N 3.28Å
90V25.3Very low26.1Very low116 Ų116138.2 Ų138.270%0.70378%0.777SS**  trans-7485.4158.9179.10000106.3I92V90-I92 HydrophobicContact CG1-CD1 3.58Å; V90-I92 HydrophobicContact CG1-CG1 3.62Å; V90-I92 PolarHBondContact O-N 3.39Å
91N22.1Very low26.1Very low105 Ų105136.4 Ų136.456%0.56177%0.767SS**  trans-89.480.7166.9-162.715.9000107.9T89 Q93T89-N91 HydrophobicContact CG2-CB 4.07Å; T89-N91 PolarHBondContact O-N 3.28Å; N91-Q93 PolarHBondContact ND2-OE1 2.83Å; N91-Q93 PolarHBondContact O-N 2.82Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.2Å
92I26.7Very low25.8Very low135 Ų135138 Ų13869%0.69277%0.769SS**  trans-76.577.3162.1-61.3164000105.8V90 N94V90-I92 HydrophobicContact CG1-CD1 3.58Å; V90-I92 HydrophobicContact CG1-CG1 3.62Å; V90-I92 PolarHBondContact O-N 3.39Å; I92-N94 PolarHBondContact O-N 3.11Å
93Q22.8Very low25.9Very low151 Ų151136.7 Ų136.771%0.70676%0.762SS**  trans-79.6102.7161.7-102174-22.900107.3N91 N95N91-Q93 PolarHBondContact ND2-OE1 2.83Å; N91-Q93 PolarHBondContact O-N 2.82Å; N91-Q93 WeakPolarHBondContact OD1-CG 3.2Å; Q93-N95 VanDerWaalsContact C-N 3.34Å; Q93-N95 PolarHBondContact O-N 3.15Å
94N25.5Very low25.8Very low147 Ų147134.7 Ų134.779%0.78675%0.751SS**  trans-50.193.6164.8-87.6-22.6000110.2I92I92-N94 PolarHBondContact O-N 3.11Å
95N26.1Very low25.5Very low151 Ų151132.4 Ų132.481%0.80775%0.747SS**  trans-99.189.4153.8-94.3-15.3000107.8Q93 S97Q93-N95 VanDerWaalsContact C-N 3.34Å; Q93-N95 PolarHBondContact O-N 3.15Å; N95-S97 PolarHBondContact O-N 3.38Å
96A26.2Very low25.5Very low102 Ų102134.5 Ų134.584%0.84374%0.742SS**  trans-66.580.5164.900000109.3
97S26.5Very low25.4Very low93 Ų93131.1 Ų131.165%0.6573%0.731SS**  trans-169.6130.5151.556.60000110.3N95N95-S97 PolarHBondContact O-N 3.38Å
98K25.5Very low25.5Very low202 Ų202135 Ų13588%0.87874%0.735SS**SBendtrans92117.9172.5-57.2174.3177177.40115.4
99C25.3Very low25.4Very low108 Ų108135.8 Ų135.873%0.7373%0.732SS**  trans73.675.5175.3-74.60000116.5N101C99-N101 PolarHBondContact O-N 2.71Å
100S23.1Very low25.5Very low118 Ų118138.7 Ų138.783%0.82574%0.737SS**  trans-59.587.3146.246.60000109.5
101N26.9Very low25.6Very low102 Ų102140.5 Ų140.555%0.54574%0.74SS.*  trans-90.9118.7154.8-69.3-24.4000105.2C99 I103C99-N101 PolarHBondContact O-N 2.71Å; N101-I103 PolarHBondContact O-N 2.95Å
102E25.2Very low25.6Very low200 Ų200144.5 Ų144.594%0.93575%0.752SS**  trans-57.7111.8168.6-80.2173.7148.300108
103I30.7Very low25.5Very low137 Ų137148 Ų14870%0.70376%0.758SS**  trans-90.5116176-65.3164.2000105.5N101 D105N101-I103 PolarHBondContact O-N 2.95Å; I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 HydrophobicContact CG2-CB 4.37Å; I103-D105 PolarHBondContact O-N 2.94Å
104L25.4Very low25.5Very low101 Ų101148.8 Ų148.853%0.52976%0.761SS.*  trans-75.987.2168.7-83.2151.1000108.2Y106 Y222L104-Y106 HydrophobicContact CB-CD2 4.45Å; L104-Y106 HydrophobicContact CB-CE2 4.3Å; L104-Y106 PolarHBondContact O-N 2.82Å; L104-Y106 VanDerWaalsContact O-N 3.13Å; L104-Y222 HydrophobicContact CD1-CE2 3.88Å; L104-Y222 WeakPolarHBondContact CD1-OH 3.45Å
105D24.8Very low25.4Very low136 Ų136152.7 Ų152.773%0.72777%0.767SS**  trans-79.187.4-179.5-151.38.7000109I103 S107I103-D105 VanDerWaalsContact C-N 3.26Å; I103-D105 HydrophobicContact CG2-CB 4.37Å; I103-D105 PolarHBondContact O-N 2.94Å; D105-S107 PolarHBondContact O-N 2.96Å
106Y26.3Very low25.3Very low171 Ų171156 Ų15667%0.67177%0.769SS**  trans-75.169.6170.9-82-86.9000109.8L104 M108 Y222L104-Y106 HydrophobicContact CB-CD2 4.45Å; L104-Y106 HydrophobicContact CB-CE2 4.3Å; L104-Y106 PolarHBondContact O-N 2.82Å; L104-Y106 VanDerWaalsContact O-N 3.13Å; Y106-M108 PolarHBondContact O-N 3.37Å; Y106-M108 VanDerWaalsContact O-N 3.14Å; Y106-Y222 HydrophobicContact CE2-CD2 4.22Å; Y106-Y222 AromaticContact CE2-CE2 3.94Å; Y106-Y222 HydrophobicContact CE2-CE2 3.94Å; Y106-Y222 WeakPolarHBondContact OH-CD2 3.43Å
107S23.8Very low25.2Very low97 Ų97155.9 Ų155.968%0.67877%0.769SS**  trans-7796.6163.8-147.30000107.4D105 K109D105-S107 PolarHBondContact O-N 2.96Å; S107-K109 PolarHBondContact O-N 2.91Å
108M27.3Very low25Very low177 Ų177156.5 Ų156.587%0.87277%0.773SS**  trans-65.485.6175.3-169.9164.140.100108.6Y106 Q110Y106-M108 PolarHBondContact O-N 3.37Å; Y106-M108 VanDerWaalsContact O-N 3.14Å; M108-Q110 PolarHBondContact O-N 3.28Å
109K24.8Very low25Very low188 Ų188154.8 Ų154.882%0.81777%0.774SS**  trans-55.6112.3163.9-82.8-179.1176.7176.50106.2S107 M111S107-K109 PolarHBondContact O-N 2.91Å; K109-M111 PolarHBondContact O-N 3.32Å
110Q26.4Very low25.1Very low175 Ų175155.4 Ų155.482%0.81877%0.774SS**  trans-51.2100.6171.4-70.9-178.26.100108.8M108 K112M108-Q110 PolarHBondContact O-N 3.28Å; Q110-K112 PolarHBondContact O-N 3.36Å
111M25.5Very low25.3Very low154 Ų154156.5 Ų156.576%0.75978%0.776SS**  trans-72.4106.4164.9-81.5-130.4-174.200106.7K109 Y113K109-M111 PolarHBondContact O-N 3.32Å; M111-Y113 HydrophobicContact CB-CE2 4.32Å; M111-Y113 WeakPolarHBondContact O-CD2 3.39Å; M111-Y113 PolarHBondContact O-N 3.01Å
112K22.8Very low25.2Very low189 Ų189157 Ų15782%0.82279%0.788SS**  trans-59.2101.9162.6-88179.5171.4178.20107.8Q110 H114Q110-K112 PolarHBondContact O-N 3.36Å; K112-H114 PolarHBondContact O-N 3.4Å
113Y24.7Very low25.6Very low209 Ų209152.8 Ų152.882%0.8278%0.778SS**PPolyproline II helixtrans-71.4118.5168.3-80.5-87000109.2M111 Y115M111-Y113 HydrophobicContact CB-CE2 4.32Å; M111-Y113 WeakPolarHBondContact O-CD2 3.39Å; M111-Y113 PolarHBondContact O-N 3.01Å; Y113-Y115 PolarHBondContact O-N 3.48Å
114H23.1Very low25.3Very low167 Ų167152.6 Ų152.677%0.77378%0.777SS**PPolyproline II helixtrans-77.1118165.4-88.9-69000109.1K112 Y116K112-H114 PolarHBondContact O-N 3.4Å; H114-Y116 PolarHBondContact O-N 2.87Å
115Y22.7Very low25.3Very low229 Ų229157.3 Ų157.390%0.89879%0.79SS**PPolyproline II helixtrans-53.9126.9166.8-101-103.2000110.5Y113Y113-Y115 PolarHBondContact O-N 3.48Å
116Y25.3Very low25.1Very low220 Ų220155.4 Ų155.486%0.86379%0.787SS**  trans-127.4137.3157.8-87.7-81.8000110.4H114H114-Y116 PolarHBondContact O-N 2.87Å
117A22.6Very low25.1Very low101 Ų101154 Ų15484%0.83580%0.796SS**  trans-73.1153.7-170.800000113.7
118S23.2Very low25.1Very low106 Ų106154.1 Ų154.174%0.74180%0.803SS**  trans-52.3156.5-178.9-520000116.2
119N26.1Very low24.9Very low166 Ų166151.1 Ų151.189%0.88880%0.799SS**  -161.3144.1123.6-90.4-19.7000112.6
120T26.2Very low25Very low120 Ų120147 Ų14774%0.73679%0.794SS**  trans-83.5149.2-167.251.10000114.3
121T27.1Very low24.9Very low141 Ų141145.9 Ų145.987%0.86579%0.794SS**  trans-172.4138.5131.725.50000111.7
122S25.7Very low24.9Very low114 Ų114146.6 Ų146.680%0.79780%0.8SS**  trans-149.5174.1162.6-73.90000105
123P34Very low24.9Very low111 Ų111146.4 Ų146.472%0.72180%0.801SS**  cis-140.1-1765.120.57.6000114.1
124L24Very low24.9Very low133 Ų133143.7 Ų143.770%0.69680%0.801SS**  trans145121.7133.3-94.485.9000117.2
125Y24.6Very low25Very low200 Ų200141.4 Ų141.478%0.78480%0.804SS**  trans92.4126.5134-80.3-121.5000125.1
126S21.7Very low25.1Very low95 Ų95136 Ų13666%0.66480%0.8SS**  trans57.2143.3134.9-59.30000120.5
127T24.8Very low25.1Very low143 Ų143130.8 Ų130.888%0.87779%0.793SS**  cis-172.1168.232-4.90000110
128A24.6Very low25.1Very low98 Ų98132.3 Ų132.381%0.8179%0.792SS**  trans-80.1167.2-17400000117.6
129S24.1Very low25.1Very low114 Ų114135.9 Ų135.980%0.79779%0.794SS**  trans123.7115.6136.6-1660000118.4
130S25.6Very low25.1Very low101 Ų101132.8 Ų132.871%0.70678%0.783SS**  140125.4115.564.50000117.2
131N23.7Very low24.9Very low152 Ų152136.9 Ų136.981%0.81379%0.791SS**  trans43.5117.8141.7-58.6-18000122.6
132L26.7Very low24.7Very low169 Ų169134 Ų13489%0.88578%0.777SS**  -163.8104.2123.4-135.272.1000111.6
133H22.8Very low24.6Very low185 Ų185134.2 Ų134.286%0.85678%0.777SS**  trans-101.6116.5160.5-81.7-76000107.5
134N24.1Very low24.2Very low152 Ų152134.8 Ų134.881%0.81377%0.768SS**  trans-156130.8155.1-95.5-22.9000111.1
135S25.6Very low24.1Very low120 Ų120134.3 Ų134.384%0.83977%0.771SS**  trans60.6107.3162.458.60000119.5
136S23.9Very low24.1Very low115 Ų115130.6 Ų130.680%0.80477%0.774SS**  trans-106.3129.9164.8-171.10000109.1
137P26.1Very low24.2Very low110 Ų110130 Ų13071%0.71477%0.77SS**PPolyproline II helixtrans-91.2130.7160.226.7-14.1000109.9F139P137-F139 PolarHBondContact O-N 3.13Å
138T23.6Very low24.2Very low134 Ų134127.7 Ų127.782%0.82277%0.765SS**PPolyproline II helixtrans-62.1119.6-176.2-400000112.2
139F22.8Very low24.4Very low180 Ų180128.5 Ų128.579%0.78975%0.751SS**PPolyproline II helixtrans-101.3123.3160.2-94.4-87.7000108.9P137 F141P137-F139 PolarHBondContact O-N 3.13Å; F139-F141 VanDerWaalsContact C-N 3.27Å; F139-F141 PolarHBondContact O-N 2.84Å; F139-F141 VanDerWaalsContact O-N 3.12Å
140P25.4Very low24.6Very low102 Ų102131.7 Ų131.766%0.66275%0.751SS**SBendtrans-89.844.4-172.637.6-35.2000112.1
141F22.5Very low25.2Very low206 Ų206130.3 Ų130.390%0.90473%0.732SS**SBendtrans-16268.5165.4-71.9-68.1000109.6F139F139-F141 VanDerWaalsContact C-N 3.27Å; F139-F141 PolarHBondContact O-N 2.84Å; F139-F141 VanDerWaalsContact O-N 3.12Å
142S22.8Very low25.5Very low79 Ų79127.4 Ų127.455%0.55272%0.724SS**  trans-150.596.9173.2162.80000109.7F144S142-F144 PolarHBondContact O-N 2.96Å
143C23.5Very low25.8Very low119 Ų119126.4 Ų126.480%0.80472%0.719SS**  trans-82.212.9170.9210000113.3
144F24.5Very low26.4Very low124 Ų124121.5 Ų121.554%0.54470%0.699SS.*  trans-118.575173.9-66.8-66.3000110.6S142 S146 Q168S142-F144 PolarHBondContact O-N 2.96Å; F144-S146 PolarHBondContact O-N 3.07Å; F144-Q168 WeakPolarHBondContact CE1-O 3.28Å; F144-Q168 VanDerWaalsContact CZ-O 3.27Å; F144-Q168 WeakPolarHBondContact CZ-O 3.41Å
145T23.5Very low27Very low123 Ų123118.6 Ų118.676%0.75569%0.688SS**  trans-70.1108.3160.854.90000107.8S147T145-S147 PolarHBondContact O-N 3.36Å
146S23.7Very low28.1Very low121 Ų121115.8 Ų115.885%0.84666%0.661SS**  trans-52.297.9170.4-177.20000110.5F144F144-S146 PolarHBondContact O-N 3.07Å
147S23.7Very low28.9Very low82 Ų82117 Ų11757%0.57366%0.658SS**  trans-93.6116.5158.747.10000106.8T145 F149T145-S147 PolarHBondContact O-N 3.36Å; S147-F149 PolarHBondContact O-N 3.49Å
148A26.2Very low29.8Very low95 Ų95113.7 Ų113.779%0.78564%0.638SS**  trans-55.495.9177.200000110.3K150A148-K150 PolarHBondContact O-N 3.22Å; A148-K150 VanDerWaalsContact O-N 3.1Å
149F28.7Very low30.9Very low116 Ų116108 Ų10851%0.50960%0.602SS.*  trans-72.1102.4171.3-111.8-91.9000107.7S147 F151 L154S147-F149 PolarHBondContact O-N 3.49Å; F149-F151 HydrophobicContact CB-CE2 4.47Å; F149-F151 VanDerWaalsContact O-CD2 3.3Å; F149-F151 WeakPolarHBondContact O-CD2 3.16Å; F149-F151 PolarHBondContact O-N 2.94Å; F149-F151 VanDerWaalsContact O-N 3.08Å; F149-L154 HydrophobicContact CD1-CD1 4.26Å; F149-L154 HydrophobicContact CE1-CD1 4.21Å
150K28Very low32Very low181 Ų181101.8 Ų101.879%0.78758%0.577SS**  trans-67.4103.7165-84.4-179.8173.8177.10107.8A148 S152A148-K150 PolarHBondContact O-N 3.22Å; A148-K150 VanDerWaalsContact O-N 3.1Å; K150-S152 PolarHBondContact O-N 3.42Å
151F37.7Very low33.1Very low72 Ų72100.2 Ų100.232%0.31656%0.563SS.*  trans-63.818.3178-82.4-85.8000115.4F149 N153 F156 I171 V175F149-F151 HydrophobicContact CB-CE2 4.47Å; F149-F151 VanDerWaalsContact O-CD2 3.3Å; F149-F151 WeakPolarHBondContact O-CD2 3.16Å; F149-F151 PolarHBondContact O-N 2.94Å; F149-F151 VanDerWaalsContact O-N 3.08Å; F151-N153 VanDerWaalsContact C-N 3.27Å; F151-N153 PolarHBondContact O-N 2.99Å; F151-N153 VanDerWaalsContact O-N 3.13Å; F151-F156 HydrophobicContact CD1-CZ 4.44Å; F151-F156 HydrophobicContact CE1-CZ 4.25Å; F151-I171 HydrophobicContact CE1-CD1 4.35Å; F151-I171 HydrophobicContact CE1-CG1 4.01Å; F151-I171 HydrophobicContact CE1-CG2 4.25Å; F151-I171 HydrophobicContact CZ-CB 4.21Å; F151-I171 HydrophobicContact CZ-CG1 3.83Å; F151-I171 HydrophobicContact CZ-CG2 3.87Å; F151-V175 HydrophobicContact CD1-CG1 4.47Å; F151-V175 HydrophobicContact CD2-CG1 3.76Å; F151-V175 HydrophobicContact CE1-CG1 4.49Å; F151-V175 HydrophobicContact CE2-CG1 3.78Å; F151-V175 HydrophobicContact CG-CG1 4.12Å; F151-V175 HydrophobicContact CZ-CG1 4.15Å
152S30Very low34.5Very low91 Ų9190.5 Ų90.564%0.63652%0.521SS*.THydrogen-bonded Turntrans-76.4-1.4-166.652.90000115.2K150K150-S152 PolarHBondContact O-N 3.42Å
153N33.3Very low35.9Very low148 Ų14887.2 Ų87.279%0.79150%0.497SS*.THydrogen-bonded Turntrans-161.529.6-173.1-88.3-32000117.2F151 P155F151-N153 VanDerWaalsContact C-N 3.27Å; F151-N153 PolarHBondContact O-N 2.99Å; F151-N153 VanDerWaalsContact O-N 3.13Å; N153-P155 WeakPolarHBondContact O-CD 3.49Å
154L35.2Very low37.1Very low82 Ų8284.8 Ų84.843%0.42948%0.476SS..  trans-93.1110.3176.3-83.5144.2000111F149 F156F149-L154 HydrophobicContact CD1-CD1 4.26Å; F149-L154 HydrophobicContact CE1-CD1 4.21Å; L154-F156 HydrophobicContact CB-CE1 4.33Å; L154-F156 HydrophobicContact CB-CE2 4.43Å; L154-F156 HydrophobicContact CB-CZ 4.19Å; L154-F156 PolarHBondContact O-N 3.5Å; L154-F156 VanDerWaalsContact O-N 3.12Å
155P37.2Very low38.4Very low91 Ų9181 Ų8159%0.59146%0.46SS*.  trans-73.3101.6161.231.4-27.2000105.7N153 N157N153-P155 WeakPolarHBondContact O-CD 3.49Å; P155-N157 VanDerWaalsContact C-N 3.27Å; P155-N157 PolarHBondContact O-N 2.91Å
156F47.7Very low39.9Very low60 Ų6076 Ų7626%0.26343%0.429SS..  trans-66.596.7169.7-63.2-72.7000107.3F151 L154 S158 I162 L165 I171F151-F156 HydrophobicContact CD1-CZ 4.44Å; F151-F156 HydrophobicContact CE1-CZ 4.25Å; L154-F156 HydrophobicContact CB-CE1 4.33Å; L154-F156 HydrophobicContact CB-CE2 4.43Å; L154-F156 HydrophobicContact CB-CZ 4.19Å; L154-F156 PolarHBondContact O-N 3.5Å; L154-F156 VanDerWaalsContact O-N 3.12Å; F156-S158 PolarHBondContact O-N 3.19Å; F156-I162 HydrophobicContact CB-CD1 3.7Å; F156-I162 HydrophobicContact CB-CG1 3.82Å; F156-I162 HydrophobicContact CD1-CD1 4.12Å; F156-I162 HydrophobicContact CD1-CG1 3.42Å; F156-I162 VanDerWaalsContact CD1-CG1 3.42Å; F156-I162 HydrophobicContact CD2-CD1 4.2Å; F156-I162 HydrophobicContact CD2-CG1 4.35Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å; F156-I162 HydrophobicContact CG-CD1 3.75Å; F156-I162 HydrophobicContact CG-CG1 3.61Å; F156-L165 HydrophobicContact CE1-CD1 3.93Å; F156-I171 HydrophobicContact CE1-CD1 4.09Å; F156-I171 HydrophobicContact CZ-CD1 4.23Å
157N40.6Very low41.2Very low140 Ų14074.8 Ų74.875%0.74941%0.41SS*.  trans-72.3-18.4-176.3-70.1-31.6000111.5P155P155-N157 VanDerWaalsContact C-N 3.27Å; P155-N157 PolarHBondContact O-N 2.91Å
158S44.5Very low42.3Very low41 Ų4175.3 Ų75.329%0.28740%0.404SS..  trans-152.5155.8175.4790000113.7F156 N160 D161F156-S158 PolarHBondContact O-N 3.19Å; S158-N160 PolarHBondContact O-N 3.37Å; S158-D161 PolarHBondContact N-OD2 3.39Å; S158-D161 PolarHBondContact O-N 3.17Å; S158-D161 VanDerWaalsContact OG-CG 3.24Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.39Å
159L48.4Very low43.4Very low14 Ų1473.4 Ų73.47%0.07339%0.393CS..Hα-helixtrans-62.3-29.4174.8-132.2160.5000111.4P30 D161 I162 L163 Y209 N212 I216P30-L159 HydrophobicContact CB-CB 4.05Å; P30-L159 HydrophobicContact CG-CB 4.15Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 3.28Å; L159-I162 PolarHBondContact O-N 3.46Å; L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 HydrophobicContact CD2-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.25Å; L159-Y209 HydrophobicContact CB-CD2 4.2Å; L159-Y209 HydrophobicContact CB-CE2 3.56Å; L159-Y209 HydrophobicContact CD1-CD2 3.6Å; L159-Y209 HydrophobicContact CD1-CE2 3.75Å; L159-Y209 HydrophobicContact CD1-CG 4.29Å; L159-Y209 HydrophobicContact CG-CD2 4.03Å; L159-Y209 HydrophobicContact CG-CE2 3.62Å; L159-N212 HydrophobicContact CD1-CB 3.79Å; L159-I216 HydrophobicContact CD2-CD1 3.29Å
160N45.2Very low44.3Very low50 Ų5071 Ų7127%0.26739%0.385SS..Hα-helixtrans-63-40.3176.3-107.88.3000111.9P30 S158 I162 L163 I164P30-N160 WeakPolarHBondContact CA-OD1 3.32Å; S158-N160 PolarHBondContact O-N 3.37Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 3.35Å; N160-L163 PolarHBondContact O-N 2.91Å; N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.32Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.98Å
161D47.6Very low45.5Very low69 Ų6962.9 Ų62.937%0.36935%0.35SS..Hα-helixtrans-64-39.7179.2-58.3-46.5000110.7S158 L159 I164 L165S158-D161 PolarHBondContact N-OD2 3.39Å; S158-D161 PolarHBondContact O-N 3.17Å; S158-D161 VanDerWaalsContact OG-CG 3.24Å; S158-D161 PolarHBondContact OG-N 2.99Å; S158-D161 PolarHBondContact OG-OD2 3.39Å; L159-D161 VanDerWaalsContact C-N 3.34Å; L159-D161 PolarHBondContact O-N 3.28Å; D161-I164 PolarHBondContact O-N 2.85Å; D161-L165 WeakPolarHBondContact O-CB 3.47Å; D161-L165 WeakPolarHBondContact O-CD1 3.15Å; D161-L165 WeakPolarHBondContact O-CG 3.37Å; D161-L165 PolarHBondContact O-N 3.02Å
162I53.6Low46.3Very low3 Ų363.4 Ų63.42%0.01536%0.356CS..Hα-helixtrans-64.7-46.3176.3-65.1175.7000110.9F156 L159 N160 L165 L166 L176 L213F156-I162 HydrophobicContact CB-CD1 3.7Å; F156-I162 HydrophobicContact CB-CG1 3.82Å; F156-I162 HydrophobicContact CD1-CD1 4.12Å; F156-I162 HydrophobicContact CD1-CG1 3.42Å; F156-I162 VanDerWaalsContact CD1-CG1 3.42Å; F156-I162 HydrophobicContact CD2-CD1 4.2Å; F156-I162 HydrophobicContact CD2-CG1 4.35Å; F156-I162 HydrophobicContact CE1-CG1 4.03Å; F156-I162 HydrophobicContact CG-CD1 3.75Å; F156-I162 HydrophobicContact CG-CG1 3.61Å; L159-I162 PolarHBondContact O-N 3.46Å; N160-I162 VanDerWaalsContact C-N 3.27Å; N160-I162 PolarHBondContact O-N 3.35Å; I162-L165 PolarHBondContact O-N 3.45Å; I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.5Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.35Å; I162-L176 HydrophobicContact CG2-CD1 3.57Å; I162-L176 HydrophobicContact CG2-CD2 3.88Å; I162-L176 HydrophobicContact CG2-CG 4.34Å; I162-L213 HydrophobicContact CD1-CD1 3.93Å; I162-L213 HydrophobicContact CD1-CD2 3.89Å; I162-L213 HydrophobicContact CD1-CG 4.28Å; I162-L213 HydrophobicContact CG2-CD2 4.07Å
163L51Low47.3Very low10 Ų1060.2 Ų60.25%0.05233%0.333CS..Hα-helixtrans-63.1-41177.7-77.3168.1000112.4P30 L33 L34 L159 N160 L166 Q167 I216P30-L163 HydrophobicContact CB-CD1 3.83Å; P30-L163 VanDerWaalsContact O-CD1 3.23Å; P30-L163 WeakPolarHBondContact O-CD1 3.44Å; L33-L163 HydrophobicContact CD2-CB 3.86Å; L33-L163 HydrophobicContact CD2-CD1 4.24Å; L34-L163 HydrophobicContact CB-CD2 4.36Å; L34-L163 HydrophobicContact CD1-CD2 4.05Å; L159-L163 HydrophobicContact CD2-CD1 4.05Å; L159-L163 HydrophobicContact CD2-CG 4.16Å; L159-L163 WeakPolarHBondContact O-CG 3.29Å; L159-L163 PolarHBondContact O-N 3.25Å; N160-L163 PolarHBondContact O-N 2.91Å; L163-L166 PolarHBondContact O-N 3.45Å; L163-Q167 VanDerWaalsContact O-CB 3.3Å; L163-Q167 WeakPolarHBondContact O-CB 3.29Å; L163-Q167 PolarHBondContact O-N 2.97Å; L163-I216 HydrophobicContact CD1-CD1 4.31Å; L163-I216 HydrophobicContact CD2-CD1 3.66Å; L163-I216 HydrophobicContact CD2-CG1 4.05Å; L163-I216 HydrophobicContact CD2-CG2 3.99Å; L163-I216 HydrophobicContact CG-CD1 4.09Å
164I49.2Very low48.1Very low68 Ų6857.5 Ų57.535%0.34932%0.316SS..Hα-helixtrans-63.7-45.6176.9-70.9165.7000110.3L33 N160 D161 L166 Q167 Q168L33-I164 HydrophobicContact CD2-CG1 4.41Å; N160-I164 WeakPolarHBondContact O-CB 3.36Å; N160-I164 WeakPolarHBondContact O-CD1 3.32Å; N160-I164 WeakPolarHBondContact O-CG1 3.43Å; N160-I164 PolarHBondContact O-N 2.98Å; D161-I164 PolarHBondContact O-N 2.85Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.42Å; I164-Q167 PolarHBondContact O-N 3.35Å; I164-Q168 WeakPolarHBondContact O-CB 3.33Å; I164-Q168 VanDerWaalsContact O-CG 3.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.44Å; I164-Q168 PolarHBondContact O-N 3.08Å
165L51.2Low48.9Very low43 Ų4355.9 Ų55.923%0.22531%0.309CS..Hα-helixtrans-65.7-35.5178.8-70.5168.3000112F156 D161 I162 Q168 G169 L170 I171F156-L165 HydrophobicContact CE1-CD1 3.93Å; D161-L165 WeakPolarHBondContact O-CB 3.47Å; D161-L165 WeakPolarHBondContact O-CD1 3.15Å; D161-L165 WeakPolarHBondContact O-CG 3.37Å; D161-L165 PolarHBondContact O-N 3.02Å; I162-L165 PolarHBondContact O-N 3.45Å; L165-Q168 CarbonylContact O-C 3.57Å; L165-Q168 PolarHBondContact O-N 3.49Å; L165-G169 PolarHBondContact O-N 3.23Å; L165-L170 HydrophobicContact CD2-CB 4.18Å; L165-L170 HydrophobicContact CD2-CD1 3.89Å; L165-L170 PolarHBondContact O-N 3.14Å; L165-I171 HydrophobicContact CB-CD1 3.4Å; L165-I171 VanDerWaalsContact CB-CD1 3.4Å; L165-I171 HydrophobicContact CB-CG1 3.77Å; L165-I171 HydrophobicContact CD1-CD1 3.74Å; L165-I171 HydrophobicContact CD1-CG1 4.47Å; L165-I171 HydrophobicContact CG-CD1 4.19Å
166L54.4Low49.6Very low19 Ų1951.9 Ų51.910%0.09928%0.283CS..Hα-helixtrans-67-44.5172.1-80.7167000112.6I162 L163 I164 Q168 G169 I171 L176 I216 L220I162-L166 HydrophobicContact CG2-CD1 3.83Å; I162-L166 HydrophobicContact CG2-CG 4.5Å; I162-L166 WeakPolarHBondContact O-CB 3.37Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.39Å; I162-L166 PolarHBondContact O-N 3.35Å; L163-L166 PolarHBondContact O-N 3.45Å; I164-L166 VanDerWaalsContact C-N 3.31Å; I164-L166 PolarHBondContact O-N 3.42Å; L166-Q168 PolarHBondContact O-N 3.06Å; L166-G169 PolarHBondContact O-N 3.15Å; L166-I171 HydrophobicContact CD2-CB 4.2Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; L166-L176 HydrophobicContact CD1-CD1 3.65Å; L166-L176 HydrophobicContact CD2-CD1 3.71Å; L166-L176 HydrophobicContact CG-CD1 3.68Å; L166-I216 HydrophobicContact CD1-CG2 3.52Å; L166-L220 HydrophobicContact CB-CD1 4.11Å; L166-L220 HydrophobicContact CD1-CD1 3.3Å; L166-L220 HydrophobicContact CD2-CD1 3.22Å; L166-L220 HydrophobicContact CD2-CG 4.46Å; L166-L220 HydrophobicContact CG-CD1 3.67Å
167Q51Low49.7Very low95 Ų9551.2 Ų51.244%0.44428%0.282SS..Hα-helixtrans-63.2-32177.2-169.3177.48.600111.5L163 I164 G169L163-Q167 VanDerWaalsContact O-CB 3.3Å; L163-Q167 WeakPolarHBondContact O-CB 3.29Å; L163-Q167 PolarHBondContact O-N 2.97Å; I164-Q167 PolarHBondContact O-N 3.35Å; Q167-G169 VanDerWaalsContact C-N 3.29Å
168Q48.8Very low50Low94 Ų9447.2 Ų47.244%0.43927%0.265SS..THydrogen-bonded Turntrans-83.32.4173.3-66.1178.217.100113.1F144 I164 L165 L166 L170F144-Q168 WeakPolarHBondContact CE1-O 3.28Å; F144-Q168 VanDerWaalsContact CZ-O 3.27Å; F144-Q168 WeakPolarHBondContact CZ-O 3.41Å; I164-Q168 WeakPolarHBondContact O-CB 3.33Å; I164-Q168 VanDerWaalsContact O-CG 3.28Å; I164-Q168 WeakPolarHBondContact O-CG 3.44Å; I164-Q168 PolarHBondContact O-N 3.08Å; L165-Q168 CarbonylContact O-C 3.57Å; L165-Q168 PolarHBondContact O-N 3.49Å; L166-Q168 PolarHBondContact O-N 3.06Å; Q168-L170 HydrophobicContact CB-CD1 3.85Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 2.74Å; Q168-L170 VanDerWaalsContact O-N 3.1Å; Q168-L170 VanDerWaalsContact OE1-CD1 3.23Å
169G48.5Very low50Low55 Ų5547.1 Ų47.157%0.56727%0.265SS*.THydrogen-bonded Turntrans61.419.7-179.400000114.3L165 L166 Q167L165-G169 PolarHBondContact O-N 3.23Å; L166-G169 PolarHBondContact O-N 3.15Å; Q167-G169 VanDerWaalsContact C-N 3.29Å
170L48.1Very low49.9Very low65 Ų6546.9 Ų46.934%0.3426%0.263SS..  trans-86.9-10.9-178.2-65.8175000112.6L165 Q168L165-L170 HydrophobicContact CD2-CB 4.18Å; L165-L170 HydrophobicContact CD2-CD1 3.89Å; L165-L170 PolarHBondContact O-N 3.14Å; Q168-L170 HydrophobicContact CB-CD1 3.85Å; Q168-L170 HydrophobicContact CB-CG 3.85Å; Q168-L170 PolarHBondContact O-N 2.74Å; Q168-L170 VanDerWaalsContact O-N 3.1Å; Q168-L170 VanDerWaalsContact OE1-CD1 3.23Å
171I53.5Low49.5Very low10 Ų1048.3 Ų48.35%0.05127%0.271CS..SBendtrans-120.9128.9173.2-61.5173.3000109.1F151 F156 L165 L166 P173 L176F151-I171 HydrophobicContact CE1-CD1 4.35Å; F151-I171 HydrophobicContact CE1-CG1 4.01Å; F151-I171 HydrophobicContact CE1-CG2 4.25Å; F151-I171 HydrophobicContact CZ-CB 4.21Å; F151-I171 HydrophobicContact CZ-CG1 3.83Å; F151-I171 HydrophobicContact CZ-CG2 3.87Å; F156-I171 HydrophobicContact CE1-CD1 4.09Å; F156-I171 HydrophobicContact CZ-CD1 4.23Å; L165-I171 HydrophobicContact CB-CD1 3.4Å; L165-I171 VanDerWaalsContact CB-CD1 3.4Å; L165-I171 HydrophobicContact CB-CG1 3.77Å; L165-I171 HydrophobicContact CD1-CD1 3.74Å; L165-I171 HydrophobicContact CD1-CG1 4.47Å; L165-I171 HydrophobicContact CG-CD1 4.19Å; L166-I171 HydrophobicContact CD2-CB 4.2Å; L166-I171 HydrophobicContact CD2-CG2 4.39Å; I171-P173 WeakPolarHBondContact O-CD 3.43Å; I171-L176 HydrophobicContact CB-CD1 4.13Å; I171-L176 HydrophobicContact CD1-CD1 4.03Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 HydrophobicContact CG2-CD1 3.38Å; I171-L176 HydrophobicContact CG2-CG 3.82Å
172D53.5Low49Very low83 Ų8349.7 Ų49.744%0.44428%0.277SS..  trans-68.8121.7166-173-23.4000109.3E174 V175 L176D172-E174 PolarHBondContact O-N 2.93Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.45Å; D172-V175 HydrophobicContact CB-CB 4.2Å; D172-V175 HydrophobicContact CB-CG2 3.81Å; D172-V175 WeakPolarHBondContact O-CB 3.42Å; D172-V175 PolarHBondContact O-N 3.34Å; D172-L176 PolarHBondContact O-N 3.49Å; D172-L176 VanDerWaalsContact O-N 3.16Å
173P51.2Low48.3Very low24 Ų2453.8 Ų53.816%0.15630%0.299CS..Hα-helixtrans-52.7-33.4177.8-24.232.6000113.7I171 V175 L176 L177 L220I171-P173 WeakPolarHBondContact O-CD 3.43Å; P173-V175 VanDerWaalsContact C-N 3.35Å; P173-L176 WeakPolarHBondContact O-CB 3.46Å; P173-L176 PolarHBondContact O-N 2.94Å; P173-L177 PolarHBondContact O-N 3.29Å; P173-L220 HydrophobicContact CB-CB 3.74Å; P173-L220 HydrophobicContact CG-CB 3.73Å; P173-L220 HydrophobicContact CG-CD1 4.49Å
174E50.8Low47.4Very low92 Ų9256.8 Ų56.843%0.4331%0.313SS..Hα-helixtrans-69-34.5178.8-68.4-168.8164.400112.2D172 L176 L177 S178 I240D172-E174 PolarHBondContact O-N 2.93Å; D172-E174 VanDerWaalsContact O-N 3.15Å; D172-E174 PolarHBondContact OD1-N 3.45Å; E174-L176 VanDerWaalsContact C-N 3.3Å; E174-L177 PolarHBondContact O-N 3.22Å; E174-S178 PolarHBondContact O-N 2.85Å; E174-S178 VanDerWaalsContact O-N 3.08Å; E174-S178 PolarHBondContact O-OG 3.08Å; E174-I240 WeakPolarHBondContact OE1-CG1 3.28Å
175V51.3Low46.6Very low47 Ų4760 Ų6029%0.28533%0.326SS..Hα-helixtrans-70.2-32.5175.2179.30000110.7F151 D172 P173 S178 S179F151-V175 HydrophobicContact CD1-CG1 4.47Å; F151-V175 HydrophobicContact CD2-CG1 3.76Å; F151-V175 HydrophobicContact CE1-CG1 4.49Å; F151-V175 HydrophobicContact CE2-CG1 3.78Å; F151-V175 HydrophobicContact CG-CG1 4.12Å; F151-V175 HydrophobicContact CZ-CG1 4.15Å; D172-V175 HydrophobicContact CB-CB 4.2Å; D172-V175 HydrophobicContact CB-CG2 3.81Å; D172-V175 WeakPolarHBondContact O-CB 3.42Å; D172-V175 PolarHBondContact O-N 3.34Å; P173-V175 VanDerWaalsContact C-N 3.35Å; V175-S178 WeakPolarHBondContact CA-OG 3.12Å; V175-S178 PolarHBondContact O-OG 2.94Å; V175-S179 WeakPolarHBondContact O-CB 3.33Å; V175-S179 PolarHBondContact O-N 2.95Å; V175-S179 VanDerWaalsContact O-N 3.14Å; V175-S179 PolarHBondContact O-OG 3.34Å
176L52Low45.7Very low8 Ų863.5 Ų63.54%0.04234%0.342CS..Hα-helixtrans-68.9-44.5173.9-122.6158.2000111.7I162 L166 I171 D172 P173 E174 S178 S179 V180 L213I162-L176 HydrophobicContact CG2-CD1 3.57Å; I162-L176 HydrophobicContact CG2-CD2 3.88Å; I162-L176 HydrophobicContact CG2-CG 4.34Å; L166-L176 HydrophobicContact CD1-CD1 3.65Å; L166-L176 HydrophobicContact CD2-CD1 3.71Å; L166-L176 HydrophobicContact CG-CD1 3.68Å; I171-L176 HydrophobicContact CB-CD1 4.13Å; I171-L176 HydrophobicContact CD1-CD1 4.03Å; I171-L176 HydrophobicContact CG2-CB 4.11Å; I171-L176 HydrophobicContact CG2-CD1 3.38Å; I171-L176 HydrophobicContact CG2-CG 3.82Å; D172-L176 PolarHBondContact O-N 3.49Å; D172-L176 VanDerWaalsContact O-N 3.16Å; P173-L176 WeakPolarHBondContact O-CB 3.46Å; P173-L176 PolarHBondContact O-N 2.94Å; E174-L176 VanDerWaalsContact C-N 3.3Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 2.89Å; L176-S179 PolarHBondContact O-N 3.2Å; L176-V180 HydrophobicContact CD2-CG2 4.44Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.13Å; L176-V180 PolarHBondContact O-N 3.02Å; L176-L213 HydrophobicContact CD2-CD2 3.23Å
177L48.9Very low44.7Very low45 Ų4566.5 Ų66.524%0.23636%0.364CS..Hα-helixtrans-61-41177.9-158.979.5000112.1P173 E174 N181 S217 Y218P173-L177 PolarHBondContact O-N 3.29Å; E174-L177 PolarHBondContact O-N 3.22Å; L177-N181 PolarHBondContact O-N 3.4Å; L177-N181 PolarHBondContact O-ND2 2.96Å; L177-S217 WeakPolarHBondContact CD1-OG 3.31Å; L177-Y218 HydrophobicContact CD1-CD1 4.43Å; L177-Y218 HydrophobicContact CD1-CE1 4.33Å
178S47.5Very low43.7Very low56 Ų5667.7 Ų67.739%0.39238%0.378SS..Hα-helixtrans-68.7-36.7176.547.30000112.8E174 V175 L176 N181 I182E174-S178 PolarHBondContact O-N 2.85Å; E174-S178 VanDerWaalsContact O-N 3.08Å; E174-S178 PolarHBondContact O-OG 3.08Å; V175-S178 WeakPolarHBondContact CA-OG 3.12Å; V175-S178 PolarHBondContact O-OG 2.94Å; L176-S178 VanDerWaalsContact C-N 3.33Å; L176-S178 PolarHBondContact O-N 2.89Å; S178-N181 PolarHBondContact O-N 3.29Å; S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.47Å; S178-I182 VanDerWaalsContact O-N 3.08Å
179S45.1Very low42.8Very low40 Ų4067.1 Ų67.128%0.2838%0.384SS..Hα-helixtrans-67.6-36.9176.1-560000112.8V175 L176 I182 L183V175-S179 WeakPolarHBondContact O-CB 3.33Å; V175-S179 PolarHBondContact O-N 2.95Å; V175-S179 VanDerWaalsContact O-N 3.14Å; V175-S179 PolarHBondContact O-OG 3.34Å; L176-S179 PolarHBondContact O-N 3.2Å; S179-I182 PolarHBondContact O-N 3.46Å; S179-L183 PolarHBondContact O-N 3.48Å; S179-L183 VanDerWaalsContact O-N 3.15Å
180V45.9Very low42Very low8 Ų868.7 Ų68.75%0.04839%0.386CS..Hα-helixtrans-64.6-42.7174.6172.10000110.9L176 I182 L183 Q184 F210 L213L176-V180 HydrophobicContact CD2-CG2 4.44Å; L176-V180 VanDerWaalsContact O-CG2 3.32Å; L176-V180 WeakPolarHBondContact O-CG2 3.13Å; L176-V180 PolarHBondContact O-N 3.02Å; V180-I182 VanDerWaalsContact C-N 3.35Å; V180-I182 PolarHBondContact O-N 3.5Å; V180-L183 PolarHBondContact O-N 3.14Å; V180-Q184 PolarHBondContact O-N 3.41Å; V180-F210 HydrophobicContact CG1-CD1 3.98Å; V180-F210 HydrophobicContact CG1-CE1 4.32Å; V180-L213 HydrophobicContact CG2-CB 4.01Å; V180-L213 HydrophobicContact CG2-CD2 3.85Å; V180-L213 HydrophobicContact CG2-CG 4.37Å
181N36.2Very low41.1Very low80 Ų8076.8 Ų76.843%0.42841%0.414SS..Hα-helixtrans-64.7-35.7175.6-81.9-32.9000112.9L177 S178 Q185L177-N181 PolarHBondContact O-N 3.4Å; L177-N181 PolarHBondContact O-ND2 2.96Å; S178-N181 PolarHBondContact O-N 3.29Å; N181-Q185 WeakPolarHBondContact O-CG 3.38Å; N181-Q185 PolarHBondContact O-N 2.95Å; N181-Q185 VanDerWaalsContact O-N 3.17Å
182I37.3Very low39.7Very low98 Ų9883.5 Ų83.550%0.50345%0.45SS..Hα-helixtrans-67.2-41.7177.4-68163.9000111.2S178 S179 V180 Q185 Q186S178-I182 VanDerWaalsContact O-CG1 3.28Å; S178-I182 WeakPolarHBondContact O-CG1 3.32Å; S178-I182 PolarHBondContact O-N 3.47Å; S178-I182 VanDerWaalsContact O-N 3.08Å; S179-I182 PolarHBondContact O-N 3.46Å; V180-I182 VanDerWaalsContact C-N 3.35Å; V180-I182 PolarHBondContact O-N 3.5Å; I182-Q185 PolarHBondContact O-N 3.41Å; I182-Q186 PolarHBondContact O-N 3.39Å; I182-Q186 VanDerWaalsContact O-N 3.11Å
183L37.9Very low38.3Very low89 Ų8986.3 Ų86.347%0.46646%0.464SS..Hα-helixtrans-69.7-39178.5-109.3129.9000112.4S179 V180 Q185 Q186 S187 F210S179-L183 PolarHBondContact O-N 3.48Å; S179-L183 VanDerWaalsContact O-N 3.15Å; V180-L183 PolarHBondContact O-N 3.14Å; L183-Q185 PolarHBondContact O-N 3.19Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-OG 2.89Å; L183-S187 VanDerWaalsContact O-OG 3.07Å; L183-F210 HydrophobicContact CB-CE1 3.55Å; L183-F210 HydrophobicContact CB-CZ 3.46Å; L183-F210 VanDerWaalsContact CB-CZ 3.46Å; L183-F210 HydrophobicContact CD1-CZ 4.44Å; L183-F210 HydrophobicContact CD2-CE2 4.34Å; L183-F210 HydrophobicContact CD2-CZ 3.62Å; L183-F210 HydrophobicContact CG-CZ 3.99Å
184Q33.7Very low37.1Very low73 Ų7391.3 Ų91.334%0.34150%0.497SS..Hα-helixtrans-63.4-31.9176.1-153169.522.800111.6V180 T188V180-Q184 PolarHBondContact O-N 3.41Å; Q184-T188 PolarHBondContact O-OG1 3.48Å
185Q32.5Very low35.8Very low136 Ų13692.1 Ų92.164%0.63651%0.508SS*.Hα-helixtrans-73.7-30.7172.9-73.5-17319.300113.8N181 I182 L183 T188 S189N181-Q185 WeakPolarHBondContact O-CG 3.38Å; N181-Q185 PolarHBondContact O-N 2.95Å; N181-Q185 VanDerWaalsContact O-N 3.17Å; I182-Q185 PolarHBondContact O-N 3.41Å; L183-Q185 PolarHBondContact O-N 3.19Å; Q185-T188 WeakPolarHBondContact CA-OG1 3.36Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.19Å; Q185-S189 PolarHBondContact O-N 3.27Å; Q185-S189 VanDerWaalsContact O-N 3.17Å; Q185-S189 PolarHBondContact O-OG 2.91Å
186Q32.1Very low34.5Very low117 Ų11799 Ų9955%0.54753%0.534SS..Hα-helixtrans-72.4-29.7175.1-74.2-177.5-1.300112.9I182 L183 T188 S189 S190I182-Q186 PolarHBondContact O-N 3.39Å; I182-Q186 VanDerWaalsContact O-N 3.11Å; L183-Q186 PolarHBondContact O-N 3.43Å; L183-Q186 VanDerWaalsContact O-N 3.1Å; Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.25Å; Q186-S189 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-OG 2.94Å
187S32.2Very low33.3Very low82 Ų82107.8 Ų107.857%0.57358%0.575SS**Hα-helixtrans-65.8-32.4171.6-43.70000112L183L183-S187 PolarHBondContact O-N 2.88Å; L183-S187 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-OG 2.89Å; L183-S187 VanDerWaalsContact O-OG 3.07Å
188T31.7Very low32.2Very low119 Ų119112 Ų11273%0.7360%0.603SS**Hα-helixtrans-86.5-13.8177.749.40000114.6Q184 Q185 Q186Q184-T188 PolarHBondContact O-OG1 3.48Å; Q185-T188 WeakPolarHBondContact CA-OG1 3.36Å; Q185-T188 PolarHBondContact O-N 3.23Å; Q185-T188 PolarHBondContact O-OG1 3.19Å; Q186-T188 VanDerWaalsContact C-N 3.28Å; Q186-T188 PolarHBondContact O-N 3.25Å
189S29.9Very low31.2Very low83 Ų83117 Ų11758%0.5863%0.625SS**Hα-helixtrans-103.3-4.6-177.774.80000115.2Q185 Q186 Y191Q185-S189 PolarHBondContact O-N 3.27Å; Q185-S189 VanDerWaalsContact O-N 3.17Å; Q185-S189 PolarHBondContact O-OG 2.91Å; Q186-S189 PolarHBondContact O-N 2.97Å; S189-Y191 PolarHBondContact O-N 3.08Å
190S31.7Very low30.3Very low87 Ų87123.2 Ų123.261%0.60865%0.647SS**  trans-98.429.2-17448.30000115.2Q186 L192Q186-S190 PolarHBondContact O-N 2.97Å; Q186-S190 PolarHBondContact O-OG 2.94Å; S190-L192 VanDerWaalsContact C-N 3.28Å
191Y28.3Very low29.5Very low235 Ų235130 Ų13092%0.92268%0.678SS**SBendtrans-89.718.2165-122.8-84.7000113.8S189S189-Y191 PolarHBondContact O-N 3.08Å
192L23.8Very low29Very low152 Ų152132.8 Ų132.880%0.79669%0.693SS**SBendtrans-135.4111.5175.1-86.9153.8000110.5S190S190-L192 VanDerWaalsContact C-N 3.28Å
193N23.6Very low28.8Very low141 Ų141132.9 Ų132.975%0.75469%0.694SS**  trans77.196.5172.3-82.7-28.8000119.2T195N193-T195 PolarHBondContact O-N 3.43Å
194P26.3Very low28.5Very low130 Ų130135 Ų13584%0.84471%0.713SS**  trans-80.699.5161.633.3-26000108.6
195T23.3Very low28.7Very low109 Ų109138.8 Ų138.867%0.66973%0.731SS**  trans-136.7103.9159.8-3.90000110.4N193N193-T195 PolarHBondContact O-N 3.43Å
196K25.5Very low29.2Very low190 Ų190134.9 Ų134.983%0.82671%0.714SS**SBendtrans65.676.3152.7-61.7175.4179.3-179.60117.1
197Q25.5Very low29.4Very low193 Ų193137.8 Ų137.890%0.90273%0.728SS**  -17988116.4-99177.31.200107.7L199Q197-L199 PolarHBondContact O-N 2.91Å
198T25.7Very low30.2Very low133 Ų133139 Ų13982%0.81673%0.728SS**  trans-65.194.7170.5-19.20000107.9K200T198-K200 VanDerWaalsContact C-N 3.27Å; T198-K200 PolarHBondContact O-N 3.37Å; T198-K200 VanDerWaalsContact O-N 3.1Å
199L27.9Very low30.8Very low162 Ų162135.9 Ų135.985%0.84870%0.703SS**  trans-62.2104.9144.5-100.7150.1000104.3Q197 Q201Q197-L199 PolarHBondContact O-N 2.91Å; L199-Q201 PolarHBondContact O-N 3.42Å
200K25.2Very low31.8Very low171 Ų171133.7 Ų133.774%0.74368%0.683SS**  trans-53.695.7164.3-78.7-176.8170.4-170.20106.9T198 D202T198-K200 VanDerWaalsContact C-N 3.27Å; T198-K200 PolarHBondContact O-N 3.37Å; T198-K200 VanDerWaalsContact O-N 3.1Å; K200-D202 PolarHBondContact O-N 2.97Å
201Q29.3Very low32.5Very low151 Ų151134.3 Ų134.371%0.70668%0.676SS**  trans-85.479.3160.7-125.2178.2-3.700105.7L199 N203 N206L199-Q201 PolarHBondContact O-N 3.42Å; Q201-N203 PolarHBondContact O-N 2.94Å; Q201-N206 PolarHBondContact NE2-ND2 2.95Å; Q201-N206 VanDerWaalsContact NE2-ND2 3.14Å
202D24.8Very low33.5Very low138 Ų138125 Ų12574%0.73864%0.643SS**  trans-67.676.1157.8-77.3-41.9000107.1K200K200-D202 PolarHBondContact O-N 2.97Å
203N33.6Very low34.8Very low100 Ų100118.1 Ų118.154%0.53561%0.607SS.*  trans-161.5115.6154.1-135.6-5.1000113.2Q201 E205Q201-N203 PolarHBondContact O-N 2.94Å; N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 3.15Å
204P31.6Very low36.3Very low132 Ų132114 Ų11486%0.85758%0.582SS**THydrogen-bonded Turntrans-80.76.9178.431.1-32.2000115
205E39.4Very low37.7Very low153 Ų153112.8 Ų112.872%0.71557%0.568SS**THydrogen-bonded Turntrans-101.119.7-177.3-67.4-170.4159.100114.9N203 E207N203-E205 VanDerWaalsContact C-N 3.29Å; N203-E205 PolarHBondContact O-N 3.15Å; E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 3.16Å
206N41.1Very low39.3Very low54 Ų54107.9 Ų107.929%0.28954%0.537SS..Hα-helixtrans-76.2-9.2-170-120.9-7.8000115.5Q201 N208 Y209Q201-N206 PolarHBondContact NE2-ND2 2.95Å; Q201-N206 VanDerWaalsContact NE2-ND2 3.14Å; N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.1Å; N206-Y209 PolarHBondContact O-N 3.14Å
207E38.2Very low40.6Very low178 Ų17898.9 Ų98.983%0.83250%0.498SS*.Hα-helixtrans-65.3-36176-78.2-171157.900111.9E205 Y209E205-E207 VanDerWaalsContact C-N 3.31Å; E205-E207 PolarHBondContact O-N 3.16Å; E207-Y209 VanDerWaalsContact C-N 3.34Å; E207-Y209 PolarHBondContact O-N 3.01Å
208N48.7Very low41.9Very low108 Ų10895.9 Ų95.958%0.57848%0.48SS*.Hα-helixtrans-77.3-24-178.3-145.6-4.4000112N206 N212N206-N208 VanDerWaalsContact C-N 3.31Å; N206-N208 PolarHBondContact O-N 3.1Å; N208-N212 VanDerWaalsContact O-CB 3.27Å; N208-N212 WeakPolarHBondContact O-CB 3.43Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.8Å; N208-N212 PolarHBondContact O-ND2 3.17Å; N208-N212 PolarHBondContact OD1-ND2 3.1Å
209Y43.9Very low43.5Very low53 Ų5392.6 Ų92.621%0.20845%0.454CS..Hα-helixtrans-65-45.8-179.7-174-95.7000111.9L159 N206 E207 L213L159-Y209 HydrophobicContact CB-CD2 4.2Å; L159-Y209 HydrophobicContact CB-CE2 3.56Å; L159-Y209 HydrophobicContact CD1-CD2 3.6Å; L159-Y209 HydrophobicContact CD1-CE2 3.75Å; L159-Y209 HydrophobicContact CD1-CG 4.29Å; L159-Y209 HydrophobicContact CG-CD2 4.03Å; L159-Y209 HydrophobicContact CG-CE2 3.62Å; N206-Y209 PolarHBondContact O-N 3.14Å; E207-Y209 VanDerWaalsContact C-N 3.34Å; E207-Y209 PolarHBondContact O-N 3.01Å; Y209-L213 HydrophobicContact CD1-CD1 3.77Å; Y209-L213 HydrophobicContact CE1-CD1 3.23Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3Å
210F50Low44.7Very low37 Ų3786.7 Ų86.716%0.16242%0.423CS..Hα-helixtrans-68-43.9180-92.3-84000112.8V180 L183 N212 L213 K214V180-F210 HydrophobicContact CG1-CD1 3.98Å; V180-F210 HydrophobicContact CG1-CE1 4.32Å; L183-F210 HydrophobicContact CB-CE1 3.55Å; L183-F210 HydrophobicContact CB-CZ 3.46Å; L183-F210 VanDerWaalsContact CB-CZ 3.46Å; L183-F210 HydrophobicContact CD1-CZ 4.44Å; L183-F210 HydrophobicContact CD2-CE2 4.34Å; L183-F210 HydrophobicContact CD2-CZ 3.62Å; L183-F210 HydrophobicContact CG-CZ 3.99Å; F210-N212 VanDerWaalsContact C-N 3.35Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.37Å; F210-K214 WeakPolarHBondContact O-CB 3.47Å; F210-K214 PolarHBondContact O-N 3.42Å
211E47.9Very low45.9Very low100 Ų10080.2 Ų80.247%0.46740%0.4SS..Hα-helixtrans-64.5-40177-74.1-60.7147.700111.5L213 K214 L215E211-L213 PolarHBondContact O-N 2.94Å; E211-K214 PolarHBondContact O-N 2.87Å; E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3Å
212N47.4Very low46.9Very low39 Ų3976 Ų7621%0.20938%0.378CS..Hα-helixtrans-63.7-42174.5-78.5-50.2000112.3L159 N208 F210 K214 L215 I216L159-N212 HydrophobicContact CD1-CB 3.79Å; N208-N212 VanDerWaalsContact O-CB 3.27Å; N208-N212 WeakPolarHBondContact O-CB 3.43Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.8Å; N208-N212 PolarHBondContact O-ND2 3.17Å; N208-N212 PolarHBondContact OD1-ND2 3.1Å; F210-N212 VanDerWaalsContact C-N 3.35Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.32Å; N212-L215 PolarHBondContact O-N 2.77Å; N212-I216 WeakPolarHBondContact O-CB 3.3Å; N212-I216 WeakPolarHBondContact O-CD1 2.79Å; N212-I216 VanDerWaalsContact O-CG1 3.23Å; N212-I216 WeakPolarHBondContact O-CG1 3.27Å; N212-I216 PolarHBondContact O-N 2.81Å
213L52.2Low48.3Very low8 Ų871.3 Ų71.34%0.04235%0.353CS..Hα-helixtrans-62.1-40.7175-109.5157.7000113I162 L176 V180 Y209 F210 E211 I216 S217I162-L213 HydrophobicContact CD1-CD1 3.93Å; I162-L213 HydrophobicContact CD1-CD2 3.89Å; I162-L213 HydrophobicContact CD1-CG 4.28Å; I162-L213 HydrophobicContact CG2-CD2 4.07Å; L176-L213 HydrophobicContact CD2-CD2 3.23Å; V180-L213 HydrophobicContact CG2-CB 4.01Å; V180-L213 HydrophobicContact CG2-CD2 3.85Å; V180-L213 HydrophobicContact CG2-CG 4.37Å; Y209-L213 HydrophobicContact CD1-CD1 3.77Å; Y209-L213 HydrophobicContact CE1-CD1 3.23Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 PolarHBondContact O-N 3Å; F210-L213 WeakPolarHBondContact O-CB 3.48Å; F210-L213 PolarHBondContact O-N 3.37Å; E211-L213 PolarHBondContact O-N 2.94Å; L213-I216 PolarHBondContact O-N 3.03Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 PolarHBondContact O-OG 3.48Å
214K54.6Low49Very low54 Ų5469.3 Ų69.324%0.23535%0.346CS..Hα-helixtrans-66-41.2175.8-166.3177.3-176.8-179.80111.4F210 E211 N212 S217 Y218F210-K214 WeakPolarHBondContact O-CB 3.47Å; F210-K214 PolarHBondContact O-N 3.42Å; E211-K214 PolarHBondContact O-N 2.87Å; N212-K214 VanDerWaalsContact C-N 3.34Å; N212-K214 PolarHBondContact O-N 3.32Å; K214-S217 WeakPolarHBondContact CA-OG 3.47Å; K214-S217 PolarHBondContact O-N 3.44Å; K214-S217 PolarHBondContact O-OG 2.99Å; K214-Y218 HydrophobicContact CD-CE2 4.12Å; K214-Y218 WeakPolarHBondContact CE-OH 3.48Å; K214-Y218 HydrophobicContact CG-CD2 4.01Å; K214-Y218 HydrophobicContact CG-CE2 3.55Å; K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.88Å
215L55.1Low49.7Very low106 Ų10666.2 Ų66.256%0.55532%0.322SS*.Hα-helixtrans-64.3-45175.6-165.174.9000111.7E211 N212 Y218 F219E211-L215 WeakPolarHBondContact O-CB 3.47Å; E211-L215 PolarHBondContact O-N 3Å; N212-L215 PolarHBondContact O-N 2.77Å; L215-Y218 PolarHBondContact O-N 3.13Å; L215-F219 WeakPolarHBondContact O-CB 2.99Å; L215-F219 PolarHBondContact O-N 3.11Å
216I57.4Low49.9Very low5 Ų561.3 Ų61.33%0.02630%0.3CS..Hα-helixtrans-61.3-46177.9-73.8159.5000111.1L34 L159 L163 L166 N212 L213 F219 L220L34-I216 HydrophobicContact CD1-CG1 3.91Å; L34-I216 HydrophobicContact CD2-CD1 4.24Å; L34-I216 HydrophobicContact CD2-CG1 3.58Å; L34-I216 HydrophobicContact CG-CG1 4.31Å; L159-I216 HydrophobicContact CD2-CD1 3.29Å; L163-I216 HydrophobicContact CD1-CD1 4.31Å; L163-I216 HydrophobicContact CD2-CD1 3.66Å; L163-I216 HydrophobicContact CD2-CG1 4.05Å; L163-I216 HydrophobicContact CD2-CG2 3.99Å; L163-I216 HydrophobicContact CG-CD1 4.09Å; L166-I216 HydrophobicContact CD1-CG2 3.52Å; N212-I216 WeakPolarHBondContact O-CB 3.3Å; N212-I216 WeakPolarHBondContact O-CD1 2.79Å; N212-I216 VanDerWaalsContact O-CG1 3.23Å; N212-I216 WeakPolarHBondContact O-CG1 3.27Å; N212-I216 PolarHBondContact O-N 2.81Å; L213-I216 PolarHBondContact O-N 3.03Å; I216-F219 PolarHBondContact O-N 2.91Å; I216-L220 HydrophobicContact CG2-CD1 3.83Å; I216-L220 WeakPolarHBondContact O-CD1 3.09Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.15Å
217S52.3Low49.9Very low1 Ų166.6 Ų66.61%0.00732%0.321CS..Hα-helixtrans-66.1-42.517951.90000112.3L177 L213 K214 F219 L220 S221L177-S217 WeakPolarHBondContact CD1-OG 3.31Å; L213-S217 WeakPolarHBondContact O-CB 3.32Å; L213-S217 PolarHBondContact O-N 3.27Å; L213-S217 PolarHBondContact O-OG 3.48Å; K214-S217 WeakPolarHBondContact CA-OG 3.47Å; K214-S217 PolarHBondContact O-N 3.44Å; K214-S217 PolarHBondContact O-OG 2.99Å; S217-F219 VanDerWaalsContact C-N 3.31Å; S217-F219 PolarHBondContact O-N 3.09Å; S217-L220 PolarHBondContact O-N 2.92Å; S217-S221 PolarHBondContact O-N 2.69Å; S217-S221 PolarHBondContact O-OG 2.99Å
218Y53.8Low50Low130 Ų13059.8 Ų59.851%0.5129%0.292SS..Hα-helixtrans-60.3-40.7172.3-76.2-46.5000112.7L177 K214 L215 L220 S221 Y222L177-Y218 HydrophobicContact CD1-CD1 4.43Å; L177-Y218 HydrophobicContact CD1-CE1 4.33Å; K214-Y218 HydrophobicContact CD-CE2 4.12Å; K214-Y218 WeakPolarHBondContact CE-OH 3.48Å; K214-Y218 HydrophobicContact CG-CD2 4.01Å; K214-Y218 HydrophobicContact CG-CE2 3.55Å; K214-Y218 WeakPolarHBondContact O-CD2 3.45Å; K214-Y218 PolarHBondContact O-N 2.88Å; L215-Y218 PolarHBondContact O-N 3.13Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.37Å; Y218-S221 PolarHBondContact O-N 3.34Å; Y218-Y222 VanDerWaalsContact O-CB 3.31Å; Y218-Y222 WeakPolarHBondContact O-CB 3.49Å; Y218-Y222 PolarHBondContact O-N 2.98Å
219F58.6Low49.5Very low64 Ų6460.8 Ų60.828%0.28130%0.297SS..Hα-helixtrans-64.1-38.9178.4-164.5-97.1000111.8C38 L215 I216 S217 Y222 L223C38-F219 HydrophobicContact CB-CE1 4.16Å; C38-F219 HydrophobicContact CB-CZ 4.11Å; C38-F219 WeakPolarHBondContact SG-CE1 3.49Å; C38-F219 VanDerWaalsContact SG-CZ 3.58Å; L215-F219 WeakPolarHBondContact O-CB 2.99Å; L215-F219 PolarHBondContact O-N 3.11Å; I216-F219 PolarHBondContact O-N 2.91Å; S217-F219 VanDerWaalsContact C-N 3.31Å; S217-F219 PolarHBondContact O-N 3.09Å; F219-Y222 WeakPolarHBondContact O-CB 3.49Å; F219-Y222 PolarHBondContact O-N 3.21Å; F219-L223 HydrophobicContact CD1-CD1 3.67Å; F219-L223 HydrophobicContact CD1-CG 4.22Å; F219-L223 HydrophobicContact CE1-CD1 3.58Å; F219-L223 HydrophobicContact CE1-CD2 4.4Å; F219-L223 HydrophobicContact CE1-CG 4.04Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.31Å
220L54.4Low49.2Very low38 Ų3863.8 Ų63.820%0.19931%0.313CS..Hα-helixtrans-73.3-39.8177.5-72.8162000113.3L166 P173 I216 S217 Y218 Y222 L223 S224L166-L220 HydrophobicContact CB-CD1 4.11Å; L166-L220 HydrophobicContact CD1-CD1 3.3Å; L166-L220 HydrophobicContact CD2-CD1 3.22Å; L166-L220 HydrophobicContact CD2-CG 4.46Å; L166-L220 HydrophobicContact CG-CD1 3.67Å; P173-L220 HydrophobicContact CB-CB 3.74Å; P173-L220 HydrophobicContact CG-CB 3.73Å; P173-L220 HydrophobicContact CG-CD1 4.49Å; I216-L220 HydrophobicContact CG2-CD1 3.83Å; I216-L220 WeakPolarHBondContact O-CD1 3.09Å; I216-L220 WeakPolarHBondContact O-CG 3.45Å; I216-L220 PolarHBondContact O-N 3.15Å; S217-L220 PolarHBondContact O-N 2.92Å; Y218-L220 VanDerWaalsContact C-N 3.32Å; Y218-L220 PolarHBondContact O-N 3.37Å; L220-Y222 PolarHBondContact O-N 3.33Å; L220-L223 HydrophobicContact CD2-CD1 4.29Å; L220-L223 PolarHBondContact O-N 3.1Å; L220-S224 PolarHBondContact O-N 3.5Å
221S49.8Very low48.6Very low35 Ų3564.1 Ų64.125%0.24532%0.32CS..Hα-helixtrans-58.4-40.2170.8-64.80000110.8S217 Y218 S224 L225S217-S221 PolarHBondContact O-N 2.69Å; S217-S221 PolarHBondContact O-OG 2.99Å; Y218-S221 PolarHBondContact O-N 3.34Å; S221-S224 PolarHBondContact O-N 3.04Å; S221-L225 WeakPolarHBondContact O-CB 3.43Å; S221-L225 PolarHBondContact O-N 3.39Å
222Y51.2Low48.4Very low63 Ų6365.5 Ų65.525%0.24734%0.34CS..Hα-helixtrans-65.2-42.7175.3177-102.8000112.8L104 Y106 Y218 F219 L220 S224 L225 L226L104-Y222 HydrophobicContact CD1-CE2 3.88Å; L104-Y222 WeakPolarHBondContact CD1-OH 3.45Å; Y106-Y222 HydrophobicContact CE2-CD2 4.22Å; Y106-Y222 AromaticContact CE2-CE2 3.94Å; Y106-Y222 HydrophobicContact CE2-CE2 3.94Å; Y106-Y222 WeakPolarHBondContact OH-CD2 3.43Å; Y218-Y222 VanDerWaalsContact O-CB 3.31Å; Y218-Y222 WeakPolarHBondContact O-CB 3.49Å; Y218-Y222 PolarHBondContact O-N 2.98Å; F219-Y222 WeakPolarHBondContact O-CB 3.49Å; F219-Y222 PolarHBondContact O-N 3.21Å; L220-Y222 PolarHBondContact O-N 3.33Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.11Å; Y222-L225 WeakPolarHBondContact O-CB 3.48Å; Y222-L225 PolarHBondContact O-N 2.86Å; Y222-L226 HydrophobicContact CD1-CD1 3.63Å; Y222-L226 HydrophobicContact CE1-CD1 3.18Å; Y222-L226 HydrophobicContact CE1-CG 4.27Å; Y222-L226 HydrophobicContact CE2-CD1 4.38Å; Y222-L226 HydrophobicContact CG-CD1 4.39Å; Y222-L226 PolarHBondContact O-N 3.17Å
223L53Low48Very low40 Ų4068.4 Ų68.421%0.20936%0.356CS..Hα-helixtrans-64.1-37.2174.2-73.7167.6000112.8L41 F219 L220 L225 L226 K227L41-L223 HydrophobicContact CD1-CD1 3.57Å; L41-L223 HydrophobicContact CD1-CD2 4.46Å; F219-L223 HydrophobicContact CD1-CD1 3.67Å; F219-L223 HydrophobicContact CD1-CG 4.22Å; F219-L223 HydrophobicContact CE1-CD1 3.58Å; F219-L223 HydrophobicContact CE1-CD2 4.4Å; F219-L223 HydrophobicContact CE1-CG 4.04Å; F219-L223 WeakPolarHBondContact O-CG 3.28Å; F219-L223 PolarHBondContact O-N 3.31Å; L220-L223 HydrophobicContact CD2-CD1 4.29Å; L220-L223 PolarHBondContact O-N 3.1Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L223-L226 HydrophobicContact CD2-CD1 4.45Å; L223-L226 WeakPolarHBondContact O-CB 3.35Å; L223-L226 PolarHBondContact O-N 2.91Å; L223-K227 PolarHBondContact O-N 2.92Å
224S47.5Very low47.8Very low57 Ų5773.9 Ų73.940%0.39939%0.39SS..Hα-helixtrans-64.4-41.2175-139.20000110.9L220 S221 Y222 K227 C228L220-S224 PolarHBondContact O-N 3.5Å; S221-S224 PolarHBondContact O-N 3.04Å; Y222-S224 VanDerWaalsContact C-N 3.33Å; Y222-S224 PolarHBondContact O-N 3.11Å; S224-K227 WeakPolarHBondContact O-CB 3.23Å; S224-K227 PolarHBondContact O-N 3.29Å; S224-C228 PolarHBondContact O-N 3.19Å
225L46.4Very low47.6Very low67 Ų6776.7 Ų76.735%0.35141%0.412SS..Hα-helixtrans-64.2-39.5174.4-162.677.3000112.3S221 Y222 L223 C228 L229S221-L225 WeakPolarHBondContact O-CB 3.43Å; S221-L225 PolarHBondContact O-N 3.39Å; Y222-L225 WeakPolarHBondContact O-CB 3.48Å; Y222-L225 PolarHBondContact O-N 2.86Å; L223-L225 VanDerWaalsContact C-N 3.33Å; L225-C228 VanDerWaalsContact O-CB 3.23Å; L225-C228 WeakPolarHBondContact O-CB 3.44Å; L225-C228 PolarHBondContact O-N 2.67Å; L225-C228 VanDerWaalsContact O-N 3.17Å; L225-L229 PolarHBondContact O-N 3.17Å; L225-L229 VanDerWaalsContact O-N 3.1Å
226L44.3Very low46.8Very low50 Ų5077.6 Ų77.626%0.26242%0.417SS..Hα-helixtrans-63.4-39.7173.7-89.7157.1000112.5Y222 L223 C228 L229 H230Y222-L226 HydrophobicContact CD1-CD1 3.63Å; Y222-L226 HydrophobicContact CE1-CD1 3.18Å; Y222-L226 HydrophobicContact CE1-CG 4.27Å; Y222-L226 HydrophobicContact CE2-CD1 4.38Å; Y222-L226 HydrophobicContact CG-CD1 4.39Å; Y222-L226 PolarHBondContact O-N 3.17Å; L223-L226 HydrophobicContact CD2-CD1 4.45Å; L223-L226 WeakPolarHBondContact O-CB 3.35Å; L223-L226 PolarHBondContact O-N 2.91Å; L226-C228 PolarHBondContact O-N 3.43Å; L226-L229 PolarHBondContact O-N 3.2Å; L226-H230 PolarHBondContact O-N 2.91Å
227K42.1Very low46Very low166 Ų16679 Ų7972%0.72243%0.427SS*.Hα-helixtrans-58.5-36.8172.7-112.6-179.1177.3179.30111.6L223 S224 H230 S231L223-K227 PolarHBondContact O-N 2.92Å; S224-K227 WeakPolarHBondContact O-CB 3.23Å; S224-K227 PolarHBondContact O-N 3.29Å; K227-H230 PolarHBondContact O-N 2.75Å; K227-S231 PolarHBondContact O-N 3.33Å
228C39.9Very low45.7Very low34 Ų3483.3 Ų83.323%0.2346%0.455CS..Hα-helixtrans-67.8-38.1175.7-94.80000114.3S224 L225 L226 H230 S231 C237S224-C228 PolarHBondContact O-N 3.19Å; L225-C228 VanDerWaalsContact O-CB 3.23Å; L225-C228 WeakPolarHBondContact O-CB 3.44Å; L225-C228 PolarHBondContact O-N 2.67Å; L225-C228 VanDerWaalsContact O-N 3.17Å; L226-C228 PolarHBondContact O-N 3.43Å; C228-H230 PolarHBondContact O-N 3.18Å; C228-S231 PolarHBondContact O-N 3.12Å; C228-C237 WeakPolarHBondContact CA-SG 2.84Å; C228-C237 HydrophobicContact CB-CB 3.97Å; C228-C237 WeakPolarHBondContact CB-SG 3.22Å; C228-C237 WeakPolarHBondContact SG-CA 3.37Å; C228-C237 WeakPolarHBondContact SG-CB 3.34Å; C228-C237 CovalentContact SG-SG 2.01Å; C228-C237 PolarHBondContact SG-SG 3.1Å
229L38.2Very low44.9Very low129 Ų12983.4 Ų83.468%0.67546%0.464SS*.Hα-helixtrans-67.3-22.1176.5-76.1159.6000113.2L225 L226L225-L229 PolarHBondContact O-N 3.17Å; L225-L229 VanDerWaalsContact O-N 3.1Å; L226-L229 PolarHBondContact O-N 3.2Å
230H36.5Very low44.2Very low117 Ų11783.9 Ų83.954%0.54247%0.469SS..THydrogen-bonded Turntrans-97.7-4.7-179.6-103.577.4000115N49 L226 K227 C228N49-H230 PolarHBondContact ND2-NE2 3.27Å; N49-H230 PolarHBondContact OD1-CE1 3.4Å; N49-H230 PolarHBondContact OD1-NE2 2.01Å; L226-H230 PolarHBondContact O-N 2.91Å; K227-H230 PolarHBondContact O-N 2.75Å; C228-H230 PolarHBondContact O-N 3.18Å
231S38.5Very low43.3Very low43 Ų4389.2 Ų89.230%0.30150%0.497SS..  trans-87.5125.3174.2-179.60000110.2K227 C228 N233K227-S231 PolarHBondContact O-N 3.33Å; C228-S231 PolarHBondContact O-N 3.12Å; S231-N233 PolarHBondContact O-N 3.46Å; S231-N233 PolarHBondContact OG-N 3.07Å; S231-N233 VanDerWaalsContact OG-N 3.08Å; S231-N233 PolarHBondContact OG-O 3.33Å
232S43.2Very low42.4Very low129 Ų12993.5 Ų93.590%0.90252%0.517SS*.SBendtrans-71.5-5.6168.249.40000113.1
233N39.6Very low41.3Very low101 Ų10193.5 Ų93.554%0.5454%0.537SS..  trans-110.3111.3175.4-109.4-5.7000109.7S231 T235S231-N233 PolarHBondContact O-N 3.46Å; S231-N233 PolarHBondContact OG-N 3.07Å; S231-N233 VanDerWaalsContact OG-N 3.08Å; S231-N233 PolarHBondContact OG-O 3.33Å; N233-T235 PolarHBondContact O-N 3.4Å
234T47.8Very low40Very low122 Ų12297.2 Ų97.275%0.74857%0.566SS**G310 helixtrans-72-10.1-178.649.70000113.9
235T51.1Low39.1Very low114 Ų114102.3 Ų102.370%0.69959%0.587SS**G310 helixtrans-75-20.4-177.531.70000115N233 C237N233-T235 PolarHBondContact O-N 3.4Å; T235-C237 PolarHBondContact O-N 3.37Å
236D38.2Very low38.3Very low124 Ų124105 Ų10566%0.66361%0.611SS**G310 helixtrans-89.26.8179.2-62.9-37000112.7P238D236-P238 WeakPolarHBondContact O-CD 2.89Å
237C38.9Very low37.4Very low36 Ų36105.8 Ų105.824%0.24363%0.632CS.*  trans-111.694.9-177.9-68.20000110.5C228 T235 N239C228-C237 WeakPolarHBondContact CA-SG 2.84Å; C228-C237 HydrophobicContact CB-CB 3.97Å; C228-C237 WeakPolarHBondContact CB-SG 3.22Å; C228-C237 WeakPolarHBondContact SG-CA 3.37Å; C228-C237 WeakPolarHBondContact SG-CB 3.34Å; C228-C237 CovalentContact SG-SG 2.01Å; C228-C237 PolarHBondContact SG-SG 3.1Å; T235-C237 PolarHBondContact O-N 3.37Å; C237-N239 PolarHBondContact O-N 3.29Å
238P46.1Very low36.7Very low91 Ų91104.9 Ų104.959%0.59164%0.64SS**  trans-58.3137.6166.624.7-29.9000108D236 I240D236-P238 WeakPolarHBondContact O-CD 2.89Å; P238-I240 HydrophobicContact CB-CG1 4.47Å; P238-I240 HydrophobicContact CG-CD1 4.24Å; P238-I240 HydrophobicContact CG-CG1 4.19Å; P238-I240 WeakPolarHBondContact O-CG1 3.28Å; P238-I240 PolarHBondContact O-N 3.42Å
239N38.7Very low36.3Very low131 Ų131108.8 Ų108.870%0.70167%0.668SS**  trans-70.574.9-178.3-124.8-19000109.1C237 L241 N242C237-N239 PolarHBondContact O-N 3.29Å; N239-L241 PolarHBondContact O-N 3.3Å; N239-L241 VanDerWaalsContact O-N 3.11Å; N239-N242 PolarHBondContact O-N 3.08Å; N239-N242 VanDerWaalsContact O-N 3.07Å
240I42.2Very low35.8Very low75 Ų75106.1 Ų106.139%0.38567%0.671SS.*THydrogen-bonded Turntrans-67.2-11.7-176.2-63.1165.6000111.2E174 P238 N242E174-I240 WeakPolarHBondContact OE1-CG1 3.28Å; P238-I240 HydrophobicContact CB-CG1 4.47Å; P238-I240 HydrophobicContact CG-CD1 4.24Å; P238-I240 HydrophobicContact CG-CG1 4.19Å; P238-I240 WeakPolarHBondContact O-CG1 3.28Å; P238-I240 PolarHBondContact O-N 3.42Å; I240-N242 VanDerWaalsContact C-N 3.26Å; I240-N242 PolarHBondContact O-N 2.84Å
241L35.8Very low35.4Very low149 Ų149109 Ų10978%0.7869%0.685SS**THydrogen-bonded Turntrans-72-15.1171.3-112.394.9000114.5N239N239-L241 PolarHBondContact O-N 3.3Å; N239-L241 VanDerWaalsContact O-N 3.11Å
242N31Very low35Very low125 Ų125115.2 Ų115.267%0.66872%0.715SS**  trans-110.366.4177.4-77-7.1000110.7N239 I240 S244N239-N242 PolarHBondContact O-N 3.08Å; N239-N242 VanDerWaalsContact O-N 3.07Å; I240-N242 VanDerWaalsContact C-N 3.26Å; I240-N242 PolarHBondContact O-N 2.84Å; N242-S244 PolarHBondContact O-N 3.46Å
243G28Very low34.5Very low64 Ų64114.2 Ų114.266%0.6671%0.708SS**SBendtrans-58.492.3148.300000108.7
244S26Very low34.1Very low117 Ų117117.5 Ų117.582%0.81873%0.725SS**  trans41.184.7158.7-54.80000116.9N242N242-S244 PolarHBondContact O-N 3.46Å
245I27.8Very low33.7Very low165 Ų165123.1 Ų123.185%0.84675%0.748SS**  trans-128.1111.7148.9-53.4178.9000108.3
246S29.7Very low32.8Very low123 Ų123123.6 Ų123.686%0.8675%0.751SS**  trans-56147.3173.9-176.50000112.5
247G25.7Very low32.5Very low67 Ų67123.5 Ų123.569%0.69176%0.755SS**  trans173.7103.5168.800000114S249G247-S249 PolarHBondContact O-N 3.43Å
248T27.7Very low32.2Very low146 Ų146128.4 Ų128.490%0.89678%0.784SS**  trans-49122.9166.150.90000112.9
249S31.1Very low31.3Very low116 Ų116130.6 Ų130.681%0.81180%0.795SS**  trans-140.6103.3147.763.30000104.9G247G247-S249 PolarHBondContact O-N 3.43Å
250G27.9Very low30.9Very low73 Ų73130.6 Ų130.675%0.75380%0.801SS**  111.311971.700000104.4
251E29Very low30.1Very low179 Ų179134.3 Ų134.384%0.83683%0.829SS**  trans-47.8137.5-175.8-64.1154.3133.700112.2
252D29.7Very low29.7Very low172 Ų172133.2 Ų133.292%0.9283%0.832SS**  trans-147.672.7139.2-88.8-33.1000106.7
253S33.5Very low29.6Very low108 Ų108133.8 Ų133.876%0.75585%0.845SS**  trans-80.5124.4161-60.50000107.6I255S253-I255 PolarHBondContact O-N 3.33Å
254N29.7Very low29.8Very low170 Ų170139.7 Ų139.791%0.90986%0.861SS**  trans-36.7122.1171.5-71.7-46.2000113.8
255I39.2Very low30.1Very low240 Ų240141.7 Ų141.7100%1.23186%0.864SS**  trans-1260145.6-66.8178.3000106.8S253S253-I255 PolarHBondContact O-N 3.33Å

Retrieved 255 of 255 residues in 222.5 ms (Link to these results)