A0A671DNS5_RHIFE Loading...

26S proteasome regulatory subunit 10B

AlphaFold DB , UniProt , Accession A0A671DNS5, Species RHIFE (Rhinolophus ferrumequinum, Greater horseshoe bat), Gene PSMC6, Length 403 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
1M36.4Very low42.2Very low246 Ų246166.5 Ų166.5100%1.21285%0.854SS**  0116.40-151.3168.3-176.100107
2A33.1Very low41.9Very low102 Ų102165.5 Ų165.584%0.84385%0.85SS**  trans28120.2166.900000122.4
3I37.1Very low41.9Very low156 Ų156165.3 Ų165.380%0.885%0.85SS**  trans-65.8170.3148.2-60.4161.4000108.8
4P56.2Low42.4Very low125 Ų125163.7 Ų163.781%0.81284%0.842SS**  cis-138.8176.65.91513.2000117.4
5G33.6Very low42.6Very low78 Ų78163.8 Ų163.880%0.80484%0.84SS**  trans158.185.214700000117.1
6I46.3Very low43.4Very low165 Ų165158.9 Ų158.985%0.84683%0.831SS**  trans-111.1158.7162.8-62.9171.8000106
7P57.4Low44.6Very low100 Ų100154.6 Ų154.665%0.64981%0.809SS**  cis-132.2173.6-6.824.2-1.2000114.8
8Y37.7Very low46Very low242 Ų242151.9 Ų151.995%0.94980%0.803SS**  trans-131.8109.7143.9-106.1-90000109.8
9E44.9Very low47.3Very low158 Ų158154.4 Ų154.474%0.73880%0.8SS**  trans-65.7162.9165-90.3-179.6160.500112.3
10R44.6Very low48.7Very low218 Ų218151.3 Ų151.382%0.82379%0.785SS**  trans86.987.5159.6-67.6171.6-173.4-162.5-0.3118.5
11R37.3Very low50.2Low242 Ų242151 Ų15191%0.91378%0.777SS**SBend-169.297.9117.5-109176.4-164.1170.95.5110
12L38.7Very low52.3Low154 Ų154142.1 Ų142.181%0.80674%0.743SS**  trans169.156.6143.8-89.3152.7000108.2I14L12-I14 HydrophobicContact CD2-CD1 4.4Å; L12-I14 HydrophobicContact CD2-CG1 3.99Å; L12-I14 PolarHBondContact O-N 3Å
13L41.3Very low54.7Low163 Ų163141.2 Ų141.285%0.85372%0.724SS**  trans-67.389.6148.4-94.9154.6000105.2M15L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 3.03Å
14I48.7Very low57Low143 Ų143140.2 Ų140.273%0.73372%0.716SS**  trans-66.2102161.6-63.4175.9000104.5L12 A16L12-I14 HydrophobicContact CD2-CD1 4.4Å; L12-I14 HydrophobicContact CD2-CG1 3.99Å; L12-I14 PolarHBondContact O-N 3Å; I14-A16 PolarHBondContact O-N 3.23Å
15M46.4Very low58.4Low165 Ų165139.1 Ų139.181%0.81370%0.703SS**  trans-45.6109.6167.8-70.6166.8138.900108.1L13 D17L13-M15 VanDerWaalsContact C-N 3.27Å; L13-M15 PolarHBondContact O-N 3.03Å; M15-D17 VanDerWaalsContact C-N 3.32Å; M15-D17 PolarHBondContact O-N 3Å
16A54.8Low60.8Low85 Ų85142.5 Ų142.570%0.70269%0.693SS**  trans-66.9103157.500000105.3I14I14-A16 PolarHBondContact O-N 3.23Å
17D64.3Low62.8Low86 Ų86142.8 Ų142.846%0.4668%0.683SS.*  trans-52.1132.4-175.5-123.2-23.2000108.8M15 R19 D20 K21M15-D17 VanDerWaalsContact C-N 3.32Å; M15-D17 PolarHBondContact O-N 3Å; D17-R19 HydrophobicContact CB-CB 4.36Å; D17-R19 PolarHBondContact O-N 2.81Å; D17-D20 HydrophobicContact CB-CB 4.33Å; D17-D20 WeakPolarHBondContact O-CB 3.47Å; D17-D20 PolarHBondContact O-N 3.05Å; D17-K21 PolarHBondContact O-N 3.03Å
18P69Low64.3Low106 Ų106144.2 Ų144.269%0.68868%0.679SS**Hα-helixtrans-55.6-24.1175.218.7-29.7000112A22P18-A22 WeakPolarHBondContact O-CB 3.36Å; P18-A22 PolarHBondContact O-N 2.89Å
19R71.3Confident66.8Low200 Ų200140.1 Ų140.176%0.75567%0.666SS**Hα-helixtrans-62.5-43.1168.7-111.3178.5174.8178.3-1.5113.7D17 A22 L23D17-R19 HydrophobicContact CB-CB 4.36Å; D17-R19 PolarHBondContact O-N 2.81Å; R19-A22 PolarHBondContact O-N 3.44Å; R19-L23 WeakPolarHBondContact O-CB 3.38Å; R19-L23 PolarHBondContact O-N 3.06Å
20D75.4Confident68.9Low92 Ų92136.2 Ų136.249%0.49265%0.65SS.*Hα-helixtrans-70.4-36.1-179.7-75.9-21.1000111.8D17 L23 Q24D17-D20 HydrophobicContact CB-CB 4.33Å; D17-D20 WeakPolarHBondContact O-CB 3.47Å; D17-D20 PolarHBondContact O-N 3.05Å; D20-L23 PolarHBondContact O-N 2.94Å; D20-Q24 PolarHBondContact O-N 3.38Å
21K80.4Confident71.1Confident144 Ų144131 Ų13163%0.62664%0.638SS**Hα-helixtrans-66.4-44.5173.9-143.4175.8-174.11800111.5D17 L23 Q24 D25D17-K21 PolarHBondContact O-N 3.03Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 2.92Å; K21-Q24 PolarHBondContact O-N 3.49Å; K21-D25 PolarHBondContact O-N 2.99Å
22A80.9Confident73.7Confident60 Ų60123.8 Ų123.850%0.49661%0.614SS.*Hα-helixtrans-63.5-36.2173.700000112.7P18 R19 Y26P18-A22 WeakPolarHBondContact O-CB 3.36Å; P18-A22 PolarHBondContact O-N 2.89Å; R19-A22 PolarHBondContact O-N 3.44Å; A22-Y26 VanDerWaalsContact O-CB 3.29Å; A22-Y26 WeakPolarHBondContact O-CB 3.29Å; A22-Y26 PolarHBondContact O-N 3.45Å
23L82.6Confident76.2Confident84 Ų84121.9 Ų121.944%0.4460%0.601SS.*Hα-helixtrans-66.1-38.5173.7-94.9157000112.5R19 D20 K21 R27R19-L23 WeakPolarHBondContact O-CB 3.38Å; R19-L23 PolarHBondContact O-N 3.06Å; D20-L23 PolarHBondContact O-N 2.94Å; K21-L23 VanDerWaalsContact C-N 3.33Å; K21-L23 PolarHBondContact O-N 2.92Å; L23-R27 WeakPolarHBondContact O-CB 3.39Å; L23-R27 WeakPolarHBondContact O-CG 3.45Å; L23-R27 PolarHBondContact O-N 3Å
24Q84.9Confident78.6Confident134 Ų134121.4 Ų121.463%0.62659%0.592SS**Hα-helixtrans-66.7-44.8174.1-80.4-176.1-13.800112.1D20 K21 Y26 R27 K28D20-Q24 PolarHBondContact O-N 3.38Å; K21-Q24 PolarHBondContact O-N 3.49Å; Q24-Y26 VanDerWaalsContact C-N 3.35Å; Q24-Y26 PolarHBondContact O-N 2.92Å; Q24-R27 PolarHBondContact O-N 3.28Å; Q24-K28 PolarHBondContact O-N 3.25Å
25D85.7Confident80.7Confident102 Ų102120 Ų12055%0.54558%0.582SS.*Hα-helixtrans-64.1-39.7176.5-76.6-19.6000111.9K21 K28 K29K21-D25 PolarHBondContact O-N 2.99Å; D25-K28 PolarHBondContact O-N 3.37Å; D25-K29 PolarHBondContact O-N 3.41Å
26Y84.9Confident82.8Confident150 Ų150116.9 Ų116.959%0.58857%0.568SS**Hα-helixtrans-62.7-43.8174.2-177.7-107.5000111.9A22 Q24 K28 K29 L30A22-Y26 VanDerWaalsContact O-CB 3.29Å; A22-Y26 WeakPolarHBondContact O-CB 3.29Å; A22-Y26 PolarHBondContact O-N 3.45Å; Q24-Y26 VanDerWaalsContact C-N 3.35Å; Q24-Y26 PolarHBondContact O-N 2.92Å; Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.43Å; Y26-K29 PolarHBondContact O-N 2.94Å; Y26-L30 HydrophobicContact CD1-CD1 3.78Å; Y26-L30 HydrophobicContact CE1-CD1 3.26Å; Y26-L30 HydrophobicContact CE1-CG 4.32Å; Y26-L30 HydrophobicContact CE2-CD1 4.45Å; Y26-L30 WeakPolarHBondContact O-CB 3.5Å; Y26-L30 PolarHBondContact O-N 3.47Å
27R87.4Confident84.6Confident170 Ų170116.6 Ų116.664%0.64256%0.555SS**Hα-helixtrans-61.9-40174.5-81.5178174.4165.30.1112.3L23 Q24 L30 L31L23-R27 WeakPolarHBondContact O-CB 3.39Å; L23-R27 WeakPolarHBondContact O-CG 3.45Å; L23-R27 PolarHBondContact O-N 3Å; Q24-R27 PolarHBondContact O-N 3.28Å; R27-L30 WeakPolarHBondContact O-CB 3.43Å; R27-L30 PolarHBondContact O-N 3.31Å; R27-L31 PolarHBondContact O-N 3.05Å
28K89.7Confident86Confident131 Ų131114 Ų11457%0.5755%0.549SS*.Hα-helixtrans-65.4-46.4177.9-167.1178.5177.6-1760111.6Q24 D25 Y26 L30 L31 E32Q24-K28 PolarHBondContact O-N 3.25Å; D25-K28 PolarHBondContact O-N 3.37Å; Y26-K28 VanDerWaalsContact C-N 3.34Å; Y26-K28 PolarHBondContact O-N 3.43Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 2.95Å; K28-L31 WeakPolarHBondContact O-CB 3.41Å; K28-L31 PolarHBondContact O-N 2.99Å; K28-E32 PolarHBondContact O-N 3.2Å
29K88.9Confident87.1Confident155 Ų155116.4 Ų116.467%0.67454%0.544SS*.Hα-helixtrans-63.2-34.6174-78.2-159.6173.7-172.20113.3D25 Y26 L31 E32 H33D25-K29 PolarHBondContact O-N 3.41Å; Y26-K29 PolarHBondContact O-N 2.94Å; K29-L31 VanDerWaalsContact C-N 3.35Å; K29-E32 PolarHBondContact O-N 2.97Å; K29-H33 WeakPolarHBondContact O-CB 3.26Å; K29-H33 PolarHBondContact O-N 3.08Å
30L90.7Very high88.1Confident76 Ų76110.6 Ų110.640%0.39853%0.528SS..Hα-helixtrans-64.8-38.3174.2-104.6164.4000112.5Y26 R27 K28 K34Y26-L30 HydrophobicContact CD1-CD1 3.78Å; Y26-L30 HydrophobicContact CE1-CD1 3.26Å; Y26-L30 HydrophobicContact CE1-CG 4.32Å; Y26-L30 HydrophobicContact CE2-CD1 4.45Å; Y26-L30 WeakPolarHBondContact O-CB 3.5Å; Y26-L30 PolarHBondContact O-N 3.47Å; R27-L30 WeakPolarHBondContact O-CB 3.43Å; R27-L30 PolarHBondContact O-N 3.31Å; K28-L30 VanDerWaalsContact C-N 3.32Å; K28-L30 PolarHBondContact O-N 2.95Å; L30-K34 PolarHBondContact O-N 3.44Å; L30-K34 VanDerWaalsContact O-N 3.08Å
31L90Very high89Confident109 Ų109113.3 Ų113.357%0.57154%0.535SS*.Hα-helixtrans-65.9-47.1173.6-96.2150.5000111.2R27 K28 K29 H33 K34 E35R27-L31 PolarHBondContact O-N 3.05Å; K28-L31 WeakPolarHBondContact O-CB 3.41Å; K28-L31 PolarHBondContact O-N 2.99Å; K29-L31 VanDerWaalsContact C-N 3.35Å; L31-H33 VanDerWaalsContact C-N 3.35Å; L31-H33 PolarHBondContact O-N 2.93Å; L31-K34 PolarHBondContact O-N 2.88Å; L31-E35 PolarHBondContact O-N 3.44Å
32E91.3Very high89.7Confident91 Ų91112.4 Ų112.443%0.42553%0.533SS..Hα-helixtrans-59.8-42.9175.3-71.6171.6-17400111.9K28 K29 K34 E35 I36K28-E32 PolarHBondContact O-N 3.2Å; K29-E32 PolarHBondContact O-N 2.97Å; E32-K34 VanDerWaalsContact C-N 3.35Å; E32-K34 PolarHBondContact O-N 2.99Å; E32-E35 PolarHBondContact O-N 2.86Å; E32-I36 WeakPolarHBondContact O-CB 3.39Å; E32-I36 VanDerWaalsContact O-CG1 3.26Å; E32-I36 WeakPolarHBondContact O-CG1 3.38Å; E32-I36 PolarHBondContact O-N 3.18Å
33H91.9Very high90.2Very high114 Ų114114.4 Ų114.453%0.52854%0.535SS..Hα-helixtrans-61.3-42175.4-172.1-70.3000112K29 L31 I36 D37K29-H33 WeakPolarHBondContact O-CB 3.26Å; K29-H33 PolarHBondContact O-N 3.08Å; L31-H33 VanDerWaalsContact C-N 3.35Å; L31-H33 PolarHBondContact O-N 2.93Å; H33-I36 PolarHBondContact O-N 2.94Å; H33-D37 IonicContact CE1-OD1 3.79Å; H33-D37 IonicContact CE1-OD2 3.01Å; H33-D37 PolarHBondContact CE1-OD2 3.38Å; H33-D37 IonicContact ND1-OD2 2.71Å; H33-D37 PolarHBondContact ND1-OD2 3.44Å; H33-D37 WeakPolarHBondContact O-CB 3.48Å; H33-D37 PolarHBondContact O-N 3.31Å
34K91.8Very high90.7Very high152 Ų152118.6 Ų118.666%0.66155%0.545SS*.Hα-helixtrans-64.9-39.8176.5-85.5-174.6173.8-176.80112.6L30 L31 E32 G38L30-K34 PolarHBondContact O-N 3.44Å; L30-K34 VanDerWaalsContact O-N 3.08Å; L31-K34 PolarHBondContact O-N 2.88Å; E32-K34 VanDerWaalsContact C-N 3.35Å; E32-K34 PolarHBondContact O-N 2.99Å; K34-G38 PolarHBondContact O-N 3.46Å
35E92.5Very high91.1Very high114 Ų114118.1 Ų118.153%0.53354%0.543SS..Hα-helixtrans-65.7-42.5175.6-74-176.2179.300111.7L31 E32 G38 R39L31-E35 PolarHBondContact O-N 3.44Å; E32-E35 PolarHBondContact O-N 2.86Å; E35-G38 PolarHBondContact O-N 3.4Å; E35-R39 WeakPolarHBondContact O-CG 3.47Å; E35-R39 PolarHBondContact O-N 2.94Å
36I91.1Very high91.6Very high100 Ų100119.1 Ų119.151%0.51354%0.544SS..Hα-helixtrans-65-44176.8-68.1166.7000110.7E32 H33 G38 R39 L40E32-I36 WeakPolarHBondContact O-CB 3.39Å; E32-I36 VanDerWaalsContact O-CG1 3.26Å; E32-I36 WeakPolarHBondContact O-CG1 3.38Å; E32-I36 PolarHBondContact O-N 3.18Å; H33-I36 PolarHBondContact O-N 2.94Å; I36-G38 VanDerWaalsContact C-N 3.31Å; I36-G38 PolarHBondContact O-N 3.36Å; I36-R39 PolarHBondContact O-N 3Å; I36-L40 VanDerWaalsContact O-CB 3.26Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 2.88Å
37D91.7Very high92Very high78 Ų78116.8 Ų116.842%0.41754%0.541SS..Hα-helixtrans-60.8-40.4175.4-85.8-18.9000112.1H33 L40 K41H33-D37 IonicContact CE1-OD1 3.79Å; H33-D37 IonicContact CE1-OD2 3.01Å; H33-D37 PolarHBondContact CE1-OD2 3.38Å; H33-D37 IonicContact ND1-OD2 2.71Å; H33-D37 PolarHBondContact ND1-OD2 3.44Å; H33-D37 WeakPolarHBondContact O-CB 3.48Å; H33-D37 PolarHBondContact O-N 3.31Å; D37-L40 PolarHBondContact O-N 3.4Å; D37-K41 WeakPolarHBondContact O-CB 3.26Å; D37-K41 PolarHBondContact O-N 3.36Å
38G92.9Very high92.4Very high33 Ų33116.3 Ų116.334%0.3454%0.544SS..Hα-helixtrans-59.4-52174.400000111.6K34 E35 I36 L40 K41 E42K34-G38 PolarHBondContact O-N 3.46Å; E35-G38 PolarHBondContact O-N 3.4Å; I36-G38 VanDerWaalsContact C-N 3.31Å; I36-G38 PolarHBondContact O-N 3.36Å; G38-L40 VanDerWaalsContact C-N 3.3Å; G38-L40 PolarHBondContact O-N 3.49Å; G38-K41 WeakPolarHBondContact O-CB 3.49Å; G38-K41 PolarHBondContact O-N 2.81Å; G38-E42 PolarHBondContact O-N 3.03Å
39R93.2Very high92.6Very high156 Ų156116 Ų11659%0.58954%0.544SS*.Hα-helixtrans-60.8-38.8175.9-71.7-178.8-171.1158.48.6112.3E35 I36 K41 E42 L43E35-R39 WeakPolarHBondContact O-CG 3.47Å; E35-R39 PolarHBondContact O-N 2.94Å; I36-R39 PolarHBondContact O-N 3Å; R39-K41 VanDerWaalsContact C-N 3.31Å; R39-K41 PolarHBondContact O-N 3.2Å; R39-E42 PolarHBondContact O-N 2.93Å; R39-L43 WeakPolarHBondContact O-CB 3.42Å; R39-L43 PolarHBondContact O-N 3.31Å
40L92.6Very high92.9Very high78 Ų78114 Ų11441%0.40854%0.54SS..Hα-helixtrans-67.3-35.1179.4-167.6123.7000111.5I36 D37 G38 R44I36-L40 VanDerWaalsContact O-CB 3.26Å; I36-L40 WeakPolarHBondContact O-CB 3.44Å; I36-L40 PolarHBondContact O-N 2.88Å; D37-L40 PolarHBondContact O-N 3.4Å; G38-L40 VanDerWaalsContact C-N 3.3Å; G38-L40 PolarHBondContact O-N 3.49Å; L40-R44 VanDerWaalsContact CD2-CZ 3.47Å; L40-R44 WeakPolarHBondContact O-CB 3.26Å; L40-R44 VanDerWaalsContact O-CG 3.26Å; L40-R44 WeakPolarHBondContact O-CG 3.43Å; L40-R44 PolarHBondContact O-N 3.27Å
41K93.9Very high93.1Very high148 Ų148113.8 Ų113.864%0.64354%0.543SS*.Hα-helixtrans-68.3-45.4174.3-165179.6-179.7-173.40111.5D37 G38 R39 R44 E45D37-K41 WeakPolarHBondContact O-CB 3.26Å; D37-K41 PolarHBondContact O-N 3.36Å; G38-K41 WeakPolarHBondContact O-CB 3.49Å; G38-K41 PolarHBondContact O-N 2.81Å; R39-K41 VanDerWaalsContact C-N 3.31Å; R39-K41 PolarHBondContact O-N 3.2Å; K41-R44 PolarHBondContact O-N 3.06Å; K41-E45 PolarHBondContact O-N 3.04Å
42E94.1Very high93.3Very high125 Ų125116.1 Ų116.158%0.58455%0.548SS*.Hα-helixtrans-60.6-45.8174.5-72.7175.9178.300111.8G38 R39 R44 E45 Q46G38-E42 PolarHBondContact O-N 3.03Å; R39-E42 PolarHBondContact O-N 2.93Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.92Å; E42-E45 PolarHBondContact O-N 3.38Å; E42-Q46 WeakPolarHBondContact O-CG 3.41Å; E42-Q46 PolarHBondContact O-N 3.19Å
43L92.8Very high93.4Very high103 Ų103117.6 Ų117.654%0.53956%0.555SS.*Hα-helixtrans-60.6-39.6176.5-114.793.6000112.2R39 E45 L47R39-L43 WeakPolarHBondContact O-CB 3.42Å; R39-L43 PolarHBondContact O-N 3.31Å; L43-E45 VanDerWaalsContact C-N 3.33Å; L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.87Å
44R92.6Very high93.5Very high171 Ų171119.7 Ų119.765%0.64556%0.559SS**Hα-helixtrans-65-38.4177.2-80.8175175.8-178.71111.9L40 K41 E42 L47 K48L40-R44 VanDerWaalsContact CD2-CZ 3.47Å; L40-R44 WeakPolarHBondContact O-CB 3.26Å; L40-R44 VanDerWaalsContact O-CG 3.26Å; L40-R44 WeakPolarHBondContact O-CG 3.43Å; L40-R44 PolarHBondContact O-N 3.27Å; K41-R44 PolarHBondContact O-N 3.06Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 2.92Å; R44-L47 PolarHBondContact O-N 3.44Å; R44-K48 WeakPolarHBondContact O-CB 3.48Å; R44-K48 PolarHBondContact O-N 3.18Å
45E93.8Very high93.5Very high124 Ų124118 Ų11858%0.57955%0.554SS**Hα-helixtrans-70.4-44178.7-164.3150.5-155.300111.2K41 E42 L43 L47 K48 E49K41-E45 PolarHBondContact O-N 3.04Å; E42-E45 PolarHBondContact O-N 3.38Å; L43-E45 VanDerWaalsContact C-N 3.33Å; E45-L47 PolarHBondContact O-N 3.5Å; E45-K48 WeakPolarHBondContact O-CB 3.44Å; E45-K48 PolarHBondContact O-N 2.85Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-E49 PolarHBondContact O-N 3.16Å
46Q95.1Very high93.5Very high123 Ų123119.2 Ų119.258%0.57556%0.557SS**Hα-helixtrans-58.6-44.7171.1-72.5178.3-2.800112.1E42 K48 E49 L50E42-Q46 WeakPolarHBondContact O-CG 3.41Å; E42-Q46 PolarHBondContact O-N 3.19Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 2.94Å; Q46-E49 PolarHBondContact O-N 3.01Å; Q46-L50 VanDerWaalsContact O-CB 3.3Å; Q46-L50 WeakPolarHBondContact O-CB 3.3Å; Q46-L50 PolarHBondContact O-N 3.41Å
47L94.8Very high93.4Very high101 Ų101117.6 Ų117.653%0.52956%0.555SS.*Hα-helixtrans-59.4-42.9175.9-87.4172.4000111.5L43 R44 E45 L50 T51L43-L47 WeakPolarHBondContact O-CB 3.43Å; L43-L47 WeakPolarHBondContact O-CG 3.36Å; L43-L47 PolarHBondContact O-N 2.87Å; R44-L47 PolarHBondContact O-N 3.44Å; E45-L47 PolarHBondContact O-N 3.5Å; L47-L50 PolarHBondContact O-N 2.98Å; L47-T51 WeakPolarHBondContact O-CG2 3.48Å; L47-T51 PolarHBondContact O-N 2.88Å; L47-T51 PolarHBondContact O-OG1 3.33Å
48K94.8Very high93.1Very high160 Ų160117.2 Ų117.270%0.69655%0.551SS**Hα-helixtrans-64.8-40.3179.7-169.8178.9-179.9-177.60112.2R44 E45 Q46 T51 K52R44-K48 WeakPolarHBondContact O-CB 3.48Å; R44-K48 PolarHBondContact O-N 3.18Å; E45-K48 WeakPolarHBondContact O-CB 3.44Å; E45-K48 PolarHBondContact O-N 2.85Å; E45-K48 VanDerWaalsContact O-N 3.16Å; Q46-K48 VanDerWaalsContact C-N 3.3Å; Q46-K48 PolarHBondContact O-N 2.94Å; K48-T51 WeakPolarHBondContact CA-OG1 3.35Å; K48-T51 PolarHBondContact O-OG1 3.18Å; K48-K52 WeakPolarHBondContact O-CB 3.44Å; K48-K52 PolarHBondContact O-N 3.48Å
49E95.2Very high92.7Very high124 Ų124120.2 Ų120.258%0.57956%0.559SS**Hα-helixtrans-66-44.6173.6-74.6-171155.800111.6E45 Q46 T51 K52 Q53E45-E49 PolarHBondContact O-N 3.16Å; Q46-E49 PolarHBondContact O-N 3.01Å; E49-T51 PolarHBondContact O-N 3.02Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 2.84Å; E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.3Å
50L94.9Very high92.2Very high113 Ų113117 Ų11759%0.59255%0.553SS**Hα-helixtrans-64-40.9-179.9-157.275.8000111.6Q46 L47 K52 Q53 Y54Q46-L50 VanDerWaalsContact O-CB 3.3Å; Q46-L50 WeakPolarHBondContact O-CB 3.3Å; Q46-L50 PolarHBondContact O-N 3.41Å; L47-L50 PolarHBondContact O-N 2.98Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 3.34Å; L50-Q53 PolarHBondContact O-N 3.45Å; L50-Y54 WeakPolarHBondContact O-CB 3.49Å; L50-Y54 PolarHBondContact O-N 2.92Å
51T94.1Very high91.4Very high73 Ų73116.3 Ų116.345%0.44855%0.549SS..Hα-helixtrans-62.9-39.2174.447.70000111.7L47 K48 E49 Y54 E55L47-T51 WeakPolarHBondContact O-CG2 3.48Å; L47-T51 PolarHBondContact O-N 2.88Å; L47-T51 PolarHBondContact O-OG1 3.33Å; K48-T51 WeakPolarHBondContact CA-OG1 3.35Å; K48-T51 PolarHBondContact O-OG1 3.18Å; E49-T51 PolarHBondContact O-N 3.02Å; T51-Y54 WeakPolarHBondContact O-CB 3.45Å; T51-Y54 PolarHBondContact O-N 3.29Å; T51-E55 WeakPolarHBondContact O-CG 3.38Å; T51-E55 PolarHBondContact O-N 2.89Å
52K94.3Very high90.7Very high158 Ų158114.2 Ų114.269%0.68754%0.541SS*.Hα-helixtrans-67.7-39.9178.1-168.6179.1-177.1-178.10111.8K48 E49 L50 Y54 K56K48-K52 WeakPolarHBondContact O-CB 3.44Å; K48-K52 PolarHBondContact O-N 3.48Å; E49-K52 WeakPolarHBondContact O-CB 3.49Å; E49-K52 PolarHBondContact O-N 2.84Å; L50-K52 VanDerWaalsContact C-N 3.32Å; L50-K52 PolarHBondContact O-N 3.34Å; K52-Y54 VanDerWaalsContact C-N 3.33Å; K52-K56 WeakPolarHBondContact O-CB 3.43Å; K52-K56 PolarHBondContact O-N 2.86Å; K52-K56 VanDerWaalsContact O-N 3.08Å
53Q94.1Very high89.7Confident121 Ų121111.1 Ų111.157%0.56554%0.536SS*.Hα-helixtrans-65.1-39.3173.8-71.3-1796.500111.5E49 L50 S57E49-Q53 WeakPolarHBondContact O-CG 3.37Å; E49-Q53 PolarHBondContact O-N 3.3Å; L50-Q53 PolarHBondContact O-N 3.45Å; Q53-S57 WeakPolarHBondContact O-CB 3.42Å; Q53-S57 PolarHBondContact O-N 3.08Å; Q53-S57 PolarHBondContact O-OG 2.98Å
54Y93.2Very high88.5Confident158 Ų158111.5 Ų111.562%0.6254%0.538SS*.Hα-helixtrans-61.3-52.5175.6179.8-91.6000111.7L50 T51 K52 K56 S57 E58L50-Y54 WeakPolarHBondContact O-CB 3.49Å; L50-Y54 PolarHBondContact O-N 2.92Å; T51-Y54 WeakPolarHBondContact O-CB 3.45Å; T51-Y54 PolarHBondContact O-N 3.29Å; K52-Y54 VanDerWaalsContact C-N 3.33Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.15Å; Y54-S57 PolarHBondContact O-N 3.36Å; Y54-S57 VanDerWaalsContact O-N 3.15Å; Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 2.78Å
55E91.8Very high87.2Confident116 Ų116107.1 Ų107.154%0.54253%0.525SS..Hα-helixtrans-58.7-42.7178.4-76.1178.7173.400112.1T51 E58 N59T51-E55 WeakPolarHBondContact O-CG 3.38Å; T51-E55 PolarHBondContact O-N 2.89Å; E55-E58 PolarHBondContact O-N 2.98Å; E55-N59 WeakPolarHBondContact O-CB 3.1Å; E55-N59 VanDerWaalsContact O-CG 3.29Å; E55-N59 PolarHBondContact O-N 3.27Å; E55-N59 PolarHBondContact O-ND2 3.31Å
56K93.6Very high85.7Confident141 Ų141105.9 Ų105.961%0.61353%0.53SS*.Hα-helixtrans-60.2-48.6175.8-172.9-178.7177.7-175.20111.3K52 Y54 E58 N59 D60K52-K56 WeakPolarHBondContact O-CB 3.43Å; K52-K56 PolarHBondContact O-N 2.86Å; K52-K56 VanDerWaalsContact O-N 3.08Å; Y54-K56 VanDerWaalsContact C-N 3.32Å; Y54-K56 PolarHBondContact O-N 3.15Å; K56-E58 VanDerWaalsContact C-N 3.29Å; K56-E58 PolarHBondContact O-N 3.25Å; K56-N59 PolarHBondContact O-N 3.33Å; K56-D60 VanDerWaalsContact O-CG 3.28Å; K56-D60 PolarHBondContact O-N 3.41Å
57S87.4Confident84.4Confident66 Ų66103.9 Ų103.946%0.46253%0.526SS..Hα-helixtrans-63-36.5179-54.40000112.1Q53 Y54 L61Q53-S57 WeakPolarHBondContact O-CB 3.42Å; Q53-S57 PolarHBondContact O-N 3.08Å; Q53-S57 PolarHBondContact O-OG 2.98Å; Y54-S57 PolarHBondContact O-N 3.36Å; Y54-S57 VanDerWaalsContact O-N 3.15Å; S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.45Å; S57-L61 PolarHBondContact O-N 3.07Å
58E86.1Confident83.2Confident70 Ų70101.4 Ų101.433%0.32753%0.525SS..Hα-helixtrans-67.6-42177-160.9-162151.700111.6Y54 E55 K56 L61 K62Y54-E58 WeakPolarHBondContact O-CB 3.38Å; Y54-E58 PolarHBondContact O-N 2.78Å; E55-E58 PolarHBondContact O-N 2.98Å; K56-E58 VanDerWaalsContact C-N 3.29Å; K56-E58 PolarHBondContact O-N 3.25Å; E58-L61 WeakPolarHBondContact O-CB 3.45Å; E58-L61 PolarHBondContact O-N 3.42Å; E58-K62 WeakPolarHBondContact O-CG 3.48Å; E58-K62 PolarHBondContact O-N 2.9Å; E58-K62 WeakPolarHBondContact OE1-CE 3.49Å; E58-K62 IonicContact OE1-NZ 3.69Å; E58-K62 PolarHBondContact OE1-NZ 2.95Å
59N84.8Confident82.7Confident95 Ų9595.5 Ų95.551%0.50850%0.5SS..Hα-helixtrans-65.7-42.4176.7-73.6-27.7000112.1E55 K56 L61 K62 A63E55-N59 WeakPolarHBondContact O-CB 3.1Å; E55-N59 VanDerWaalsContact O-CG 3.29Å; E55-N59 PolarHBondContact O-N 3.27Å; E55-N59 PolarHBondContact O-ND2 3.31Å; K56-N59 PolarHBondContact O-N 3.33Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 2.69Å; N59-K62 PolarHBondContact O-N 3.21Å; N59-A63 PolarHBondContact O-N 3.05Å
60D83.3Confident82.3Confident90 Ų9091.9 Ų91.948%0.48148%0.484SS..Hα-helixtrans-61.7-39.2175.2-67.1-21.1000110.9K56 A63 L64K56-D60 VanDerWaalsContact O-CG 3.28Å; K56-D60 PolarHBondContact O-N 3.41Å; D60-A63 PolarHBondContact O-N 3.39Å; D60-L64 WeakPolarHBondContact O-CG 3.44Å; D60-L64 PolarHBondContact O-N 2.92Å
61L75.7Confident82.1Confident62 Ų6289 Ų8933%0.32547%0.471SS..Hα-helixtrans-66.2-40.7173.8-81.2172.5000113.1S57 E58 N59 A63 L64 Q65S57-L61 WeakPolarHBondContact O-CB 3.48Å; S57-L61 WeakPolarHBondContact O-CG 3.45Å; S57-L61 PolarHBondContact O-N 3.07Å; E58-L61 WeakPolarHBondContact O-CB 3.45Å; E58-L61 PolarHBondContact O-N 3.42Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 2.69Å; L61-A63 VanDerWaalsContact C-N 3.32Å; L61-L64 PolarHBondContact O-N 2.94Å; L61-Q65 WeakPolarHBondContact O-CG 3.5Å; L61-Q65 PolarHBondContact O-N 3.41Å
62K77.7Confident81.9Confident105 Ų10585.6 Ų85.646%0.45745%0.45SS..Hα-helixtrans-63.1-40.4175.2-77.2174-176.1162.60111.2E58 N59 L64 Q65 S66E58-K62 WeakPolarHBondContact O-CG 3.48Å; E58-K62 PolarHBondContact O-N 2.9Å; E58-K62 WeakPolarHBondContact OE1-CE 3.49Å; E58-K62 IonicContact OE1-NZ 3.69Å; E58-K62 PolarHBondContact OE1-NZ 2.95Å; N59-K62 PolarHBondContact O-N 3.21Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.12Å; K62-Q65 PolarHBondContact O-N 3.16Å; K62-Q65 VanDerWaalsContact O-N 3.16Å; K62-S66 PolarHBondContact O-N 3.47Å; K62-S66 VanDerWaalsContact O-N 3.12Å
63A74.4Confident81.7Confident59 Ų5982.2 Ų82.249%0.48844%0.437SS..Hα-helixtrans-60.8-42.8174.500000111.4N59 D60 L61 Q65 S66N59-A63 PolarHBondContact O-N 3.05Å; D60-A63 PolarHBondContact O-N 3.39Å; L61-A63 VanDerWaalsContact C-N 3.32Å; A63-Q65 VanDerWaalsContact C-N 3.34Å; A63-Q65 PolarHBondContact O-N 3.28Å; A63-S66 WeakPolarHBondContact O-CB 3.47Å; A63-S66 PolarHBondContact O-N 3.07Å; A63-S66 PolarHBondContact O-OG 3.1Å
64L67.6Low81.5Confident112 Ų11276.4 Ų76.459%0.58641%0.41SS*.Hα-helixtrans-65.6-33.8173.7-72.5169.5000113.3D60 L61 K62 S66 V67D60-L64 WeakPolarHBondContact O-CG 3.44Å; D60-L64 PolarHBondContact O-N 2.92Å; L61-L64 PolarHBondContact O-N 2.94Å; K62-L64 VanDerWaalsContact C-N 3.34Å; K62-L64 PolarHBondContact O-N 3.12Å; L64-S66 VanDerWaalsContact C-N 3.25Å; L64-S66 PolarHBondContact O-N 3.45Å; L64-V67 WeakPolarHBondContact O-CG2 3.33Å
65Q63.8Low81.3Confident78 Ų7871.8 Ų71.836%0.36440%0.395SS..Hα-helixtrans-72.2-16.6176.7-74.8177.6-15.600113.9L61 K62 A63 V67L61-Q65 WeakPolarHBondContact O-CG 3.5Å; L61-Q65 PolarHBondContact O-N 3.41Å; K62-Q65 PolarHBondContact O-N 3.16Å; K62-Q65 VanDerWaalsContact O-N 3.16Å; A63-Q65 VanDerWaalsContact C-N 3.34Å; A63-Q65 PolarHBondContact O-N 3.28Å; Q65-V67 PolarHBondContact O-N 2.62Å
66S63.4Low81.2Confident99 Ų9972.7 Ų72.769%0.69240%0.398SS*.THydrogen-bonded Turntrans-74-11.5177.9740000113.7K62 A63 L64K62-S66 PolarHBondContact O-N 3.47Å; K62-S66 VanDerWaalsContact O-N 3.12Å; A63-S66 WeakPolarHBondContact O-CB 3.47Å; A63-S66 PolarHBondContact O-N 3.07Å; A63-S66 PolarHBondContact O-OG 3.1Å; L64-S66 VanDerWaalsContact C-N 3.25Å; L64-S66 PolarHBondContact O-N 3.45Å
67V67.1Low81Confident80 Ų8070.1 Ų70.149%0.48539%0.388SS..SBendtrans-76141.1174.5-165.20000109.5L64 Q65 Q69L64-V67 WeakPolarHBondContact O-CG2 3.33Å; Q65-V67 PolarHBondContact O-N 2.62Å; V67-Q69 PolarHBondContact O-N 3.25Å
68G70.5Confident80.9Confident49 Ų4971.7 Ų71.751%0.50539%0.391SS..  trans-52.7130.117700000111.8
69Q84.4Confident80.9Confident36 Ų3671.8 Ų71.817%0.16840%0.396CS..  trans-106.7147.5179.8-70.8179.7-8.500110.8V67 A113 L114 R123V67-Q69 PolarHBondContact O-N 3.25Å; Q69-A113 HydrophobicContact CB-CB 4.17Å; Q69-L114 WeakPolarHBondContact CA-O 3.49Å; Q69-L114 WeakPolarHBondContact CB-O 3.31Å; Q69-R123 VanDerWaalsContact CD-NH2 3.29Å
70I86.8Confident80.7Confident49 Ų4974.4 Ų74.425%0.25141%0.405SS..EExtended strand (participates in β ladder)trans-86.9129.4177.7-60.6173.5000108.5A87 L114 M116 L119I70-A87 HydrophobicContact CG2-CB 3.99Å; I70-L114 HydrophobicContact CB-CB 4.32Å; I70-L114 PolarHBondContact N-O 3.34Å; I70-L114 PolarHBondContact O-N 2.96Å; I70-M116 HydrophobicContact CD1-CB 4.42Å; I70-M116 HydrophobicContact CD1-CG 4.12Å; I70-M116 HydrophobicContact CG1-CB 4.41Å; I70-M116 HydrophobicContact CG1-CE 4.12Å; I70-M116 HydrophobicContact CG1-CG 4.3Å; I70-L119 HydrophobicContact CD1-CD2 4.04Å
71V89.6Confident80.6Confident51 Ų5175.8 Ų75.831%0.30941%0.409SS..EExtended strand (participates in β ladder)trans-82.4137.4173.1-178.40000109.6T88 L125V71-T88 PolarHBondContact O-N 3.4Å; V71-T88 PolarHBondContact O-OG1 3Å; V71-T88 VanDerWaalsContact O-OG1 3.07Å; V71-L125 HydrophobicContact CB-CD1 4.44Å; V71-L125 HydrophobicContact CG1-CD1 3.9Å; V71-L125 HydrophobicContact CG2-CD1 4Å
72G89.8Confident81.2Confident2 Ų278.3 Ų78.32%0.02142%0.417CS..EExtended strand (participates in β ladder)trans-148.6170.9173.800000113K86 R111 V112G72-K86 CarbonylContact C-O 3.59Å; G72-K86 WeakPolarHBondContact CA-O 3.42Å; G72-R111 CarbonylContact O-C 3.57Å; G72-R111 WeakPolarHBondContact O-CA 3.28Å; G72-V112 PolarHBondContact N-O 3.21Å; G72-V112 PolarHBondContact O-N 2.67Å
73E90.9Very high81.8Confident87 Ų8773.3 Ų73.341%0.40740%0.396SS..EExtended strand (participates in β ladder)trans-119.2129.3179.5-170.3-173.2169.100110L75 V85 K86 G109E73-L75 PolarHBondContact O-N 3.42Å; E73-V85 CarbonylContact O-C 3.56Å; E73-V85 WeakPolarHBondContact O-CA 3.36Å; E73-K86 PolarHBondContact N-O 2.69Å; E73-K86 PolarHBondContact O-N 2.85Å; E73-G109 WeakPolarHBondContact OE1-CA 3.31Å
74V90.5Very high82.6Confident0 Ų072.4 Ų72.40%038%0.382CS..EExtended strand (participates in β ladder)trans-71117.8176.31800000109F83 V85 L106 P108 G109 T110 V112V74-F83 HydrophobicContact CG1-CB 4.46Å; V74-F83 HydrophobicContact CG1-CD1 3.99Å; V74-V85 HydrophobicContact CG2-CG2 3.99Å; V74-L106 HydrophobicContact CG2-CD2 4.33Å; V74-P108 CarbonylContact O-C 3.56Å; V74-P108 WeakPolarHBondContact O-CA 3.46Å; V74-G109 PolarHBondContact O-N 3.32Å; V74-T110 PolarHBondContact N-O 2.81Å; V74-V112 HydrophobicContact CG2-CB 4.46Å; V74-V112 HydrophobicContact CG2-CG1 3.64Å; V74-V112 HydrophobicContact CG2-CG2 3.91Å
75L89Confident83.8Confident60 Ų6067.1 Ų67.131%0.31435%0.354SS..EExtended strand (participates in β ladder)trans-87.7-47.8177-68.6177.7000111.9E73 I84 K86 R92 P108E73-L75 PolarHBondContact O-N 3.42Å; L75-I84 HydrophobicContact CB-CB 4.43Å; L75-I84 HydrophobicContact CB-CG2 4.18Å; L75-I84 HydrophobicContact CD1-CG2 4.03Å; L75-I84 PolarHBondContact N-O 3.43Å; L75-K86 HydrophobicContact CD1-CB 3.98Å; L75-K86 HydrophobicContact CG-CB 4.19Å; L75-R92 HydrophobicContact CD1-CG 3.88Å; L75-P108 WeakPolarHBondContact O-CB 3.38Å
76K89.4Confident85.1Confident136 Ų13667.9 Ų67.959%0.59136%0.356SS*.EExtended strand (participates in β ladder)trans-157.6141.7-174.2-171173.8178.6179.60111I84K76-I84 PolarHBondContact O-N 3.49Å
77Q88.6Confident86.3Confident86 Ų8663.5 Ų63.540%0.40233%0.326SS..EExtended strand (participates in β ladder)trans-81124.7167.1-173.6172.311.300109.6T79 F83Q77-T79 WeakPolarHBondContact CG-O 3.45Å; Q77-T79 PolarHBondContact NE2-O 2.83Å; Q77-T79 VanDerWaalsContact NE2-O 3.1Å; Q77-F83 HydrophobicContact CB-CD1 3.8Å; Q77-F83 HydrophobicContact CB-CE1 3.68Å; Q77-F83 HydrophobicContact CG-CD1 3.88Å; Q77-F83 HydrophobicContact CG-CE1 3.45Å; Q77-F83 VanDerWaalsContact CG-CE1 3.45Å; Q77-F83 HydrophobicContact CG-CZ 3.9Å
78L86.2Confident87.2Confident100 Ų10063.7 Ų63.752%0.52433%0.328SS..  trans-90.5-47176.4-12289.4000111.1K82 I84L78-K82 PolarHBondContact N-O 3.1Å; L78-I84 HydrophobicContact CD1-CD1 3.32Å; L78-I84 HydrophobicContact CD1-CG1 3.54Å
79T85.6Confident87.7Confident72 Ų7269.3 Ų69.344%0.44235%0.346SS..SBendtrans-139.4178.9178.963.40000109.8Q77 E81 K82Q77-T79 WeakPolarHBondContact CG-O 3.45Å; Q77-T79 PolarHBondContact NE2-O 2.83Å; Q77-T79 VanDerWaalsContact NE2-O 3.1Å; T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-E81 PolarHBondContact OG1-N 2.93Å; T79-K82 PolarHBondContact N-O 2.94Å; T79-K82 WeakPolarHBondContact OG1-CB 3.32Å; T79-K82 PolarHBondContact OG1-N 2.77Å; T79-K82 VanDerWaalsContact OG1-N 3.12Å
80E79.9Confident87.6Confident150 Ų15069 Ų6970%0.70135%0.352SS*.SBendtrans-59.9-18.6175.2-67.3-172.1173.700114.1K103E80-K103 WeakPolarHBondContact O-CD 3.34Å; E80-K103 WeakPolarHBondContact O-CE 3.48Å; E80-K103 PolarHBondContact O-NZ 3.1Å
81E82.6Confident87.8Confident119 Ų11970.4 Ų70.456%0.55636%0.364SS*.SBendtrans-121-16.8-176.8-58.9-158.7143.100114.3T79 G96 C97T79-E81 PolarHBondContact O-N 2.97Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-E81 PolarHBondContact OG1-N 2.93Å; E81-G96 WeakPolarHBondContact O-CA 3.38Å; E81-C97 PolarHBondContact O-N 3.05Å
82K87.9Confident87.9Confident115 Ų11576.6 Ų76.650%0.538%0.382SS..EExtended strand (participates in β ladder)trans-115.7131.6-175.7-61.1-174.9-179.8-178.60112L78 T79 V94 V95L78-K82 PolarHBondContact N-O 3.1Å; T79-K82 PolarHBondContact N-O 2.94Å; T79-K82 WeakPolarHBondContact OG1-CB 3.32Å; T79-K82 PolarHBondContact OG1-N 2.77Å; T79-K82 VanDerWaalsContact OG1-N 3.12Å; K82-V94 HydrophobicContact CB-CG1 4.13Å; K82-V94 HydrophobicContact CD-CG1 4.17Å; K82-V95 WeakPolarHBondContact CA-O 3.2Å
83F90.5Very high87.9Confident0 Ų080.3 Ų80.30%040%0.396CS..EExtended strand (participates in β ladder)trans-124.3147178.9-64-96.3000109.8V74 Q77 V85 V94 V95 C97 L106 I121V74-F83 HydrophobicContact CG1-CB 4.46Å; V74-F83 HydrophobicContact CG1-CD1 3.99Å; Q77-F83 HydrophobicContact CB-CD1 3.8Å; Q77-F83 HydrophobicContact CB-CE1 3.68Å; Q77-F83 HydrophobicContact CG-CD1 3.88Å; Q77-F83 HydrophobicContact CG-CE1 3.45Å; Q77-F83 VanDerWaalsContact CG-CE1 3.45Å; Q77-F83 HydrophobicContact CG-CZ 3.9Å; F83-V85 HydrophobicContact CB-CG2 4.44Å; F83-V94 WeakPolarHBondContact O-CA 3.47Å; F83-V95 HydrophobicContact CB-CG2 4.34Å; F83-V95 PolarHBondContact N-O 2.76Å; F83-V95 WeakPolarHBondContact O-CG2 3.13Å; F83-V95 PolarHBondContact O-N 2.95Å; F83-C97 HydrophobicContact CD2-CB 4.1Å; F83-C97 HydrophobicContact CE2-CB 3.85Å; F83-L106 HydrophobicContact CD1-CB 4.41Å; F83-L106 HydrophobicContact CD2-CD1 4.34Å; F83-L106 HydrophobicContact CE1-CB 3.82Å; F83-L106 HydrophobicContact CE1-CD1 4.16Å; F83-L106 HydrophobicContact CE2-CD1 3.91Å; F83-L106 HydrophobicContact CZ-CB 4.14Å; F83-L106 HydrophobicContact CZ-CD1 3.81Å; F83-I121 HydrophobicContact CB-CD1 4.08Å; F83-I121 HydrophobicContact CD2-CD1 4.18Å; F83-I121 HydrophobicContact CG-CD1 4.23Å
84I91.4Very high87.9Confident40 Ų4080.6 Ų80.621%0.20540%0.404CS..EExtended strand (participates in β ladder)trans-87.5119.3165.8-61.3177.3000107.2L75 K76 L78 R92 Y93 V94L75-I84 HydrophobicContact CB-CB 4.43Å; L75-I84 HydrophobicContact CB-CG2 4.18Å; L75-I84 HydrophobicContact CD1-CG2 4.03Å; L75-I84 PolarHBondContact N-O 3.43Å; K76-I84 PolarHBondContact O-N 3.49Å; L78-I84 HydrophobicContact CD1-CD1 3.32Å; L78-I84 HydrophobicContact CD1-CG1 3.54Å; I84-R92 HydrophobicContact CG2-CB 4.14Å; I84-Y93 CarbonylContact C-O 3.59Å; I84-Y93 WeakPolarHBondContact CA-O 3.4Å; I84-V94 HydrophobicContact CG1-CG2 4.45Å
85V91.2Very high87.8Confident0 Ų080.9 Ų80.90%041%0.405CS..EExtended strand (participates in β ladder)trans-118.2132.6174.8178.70000109.5E73 V74 F83 R92 Y93 V95 V112 L114 I121E73-V85 CarbonylContact O-C 3.56Å; E73-V85 WeakPolarHBondContact O-CA 3.36Å; V74-V85 HydrophobicContact CG2-CG2 3.99Å; F83-V85 HydrophobicContact CB-CG2 4.44Å; V85-R92 WeakPolarHBondContact O-CA 3.44Å; V85-Y93 PolarHBondContact N-O 2.91Å; V85-Y93 PolarHBondContact O-N 3.17Å; V85-V95 HydrophobicContact CB-CG2 3.85Å; V85-V95 HydrophobicContact CG2-CG2 3.34Å; V85-V112 HydrophobicContact CG1-CG2 3.79Å; V85-V112 HydrophobicContact CG2-CG2 4.05Å; V85-L114 HydrophobicContact CB-CD1 4.33Å; V85-L114 HydrophobicContact CG1-CD1 3.78Å; V85-L114 HydrophobicContact CG1-CD2 4.2Å; V85-L114 HydrophobicContact CG1-CG 4.26Å; V85-L114 HydrophobicContact CG2-CD2 4.46Å; V85-I121 HydrophobicContact CG2-CD1 4Å; V85-I121 HydrophobicContact CG2-CG1 4.32Å
86K91.7Very high87.8Confident94 Ų9479.5 Ų79.541%0.40941%0.406SS..EExtended strand (participates in β ladder)trans-94.8119.3170.8-174.9-172.4173.8-165.60108.3G72 E73 L75 R92G72-K86 CarbonylContact C-O 3.59Å; G72-K86 WeakPolarHBondContact CA-O 3.42Å; E73-K86 PolarHBondContact N-O 2.69Å; E73-K86 PolarHBondContact O-N 2.85Å; L75-K86 HydrophobicContact CD1-CB 3.98Å; L75-K86 HydrophobicContact CG-CB 4.19Å; K86-R92 HydrophobicContact CB-CG 4.29Å; K86-R92 HydrophobicContact CG-CG 4.35Å
87A89.7Confident87.5Confident7 Ų774 Ų746%0.05839%0.385CS..EExtended strand (participates in β ladder)trans-68.5147.7171.700000110.3I70 N89 G90 P91 Y93I70-A87 HydrophobicContact CG2-CB 3.99Å; A87-N89 VanDerWaalsContact C-N 3.27Å; A87-N89 PolarHBondContact O-N 3.25Å; A87-G90 PolarHBondContact O-N 3.22Å; A87-G90 VanDerWaalsContact O-N 3.11Å; A87-P91 PolarHBondContact N-O 2.94Å; A87-Y93 HydrophobicContact CB-CD2 4.44Å; A87-Y93 HydrophobicContact CB-CE2 4.05Å
88T84.4Confident87.2Confident85 Ų8572.7 Ų72.752%0.52138%0.376SS..THydrogen-bonded Turntrans-50.7-45.7-174.7-53.50000112.7V71V71-T88 PolarHBondContact O-N 3.4Å; V71-T88 PolarHBondContact O-OG1 3Å; V71-T88 VanDerWaalsContact O-OG1 3.07Å
89N80.8Confident86.9Confident167 Ų16779.1 Ų79.189%0.89339%0.393SS*.THydrogen-bonded Turntrans-117.932177.9-69.6-6.9000112.3A87A87-N89 VanDerWaalsContact C-N 3.27Å; A87-N89 PolarHBondContact O-N 3.25Å
90G83.9Confident86.6Confident28 Ų2882.8 Ų82.829%0.28941%0.405SS..SBendtrans-140.5179.9-171.400000115.1A87A87-G90 PolarHBondContact O-N 3.22Å; A87-G90 VanDerWaalsContact O-N 3.11Å
91P89.7Confident86.6Confident79 Ų7976.6 Ų76.651%0.51338%0.377SS..  trans-71.9178.4175.731.7-34.3000111.3A87 Y93A87-P91 PolarHBondContact N-O 2.94Å; P91-Y93 WeakPolarHBondContact CD-OH 3.43Å; P91-Y93 HydrophobicContact CG-CE1 3.97Å; P91-Y93 HydrophobicContact CG-CE2 3.9Å; P91-Y93 VanDerWaalsContact CG-CZ 3.48Å; P91-Y93 VanDerWaalsContact CG-OH 3.31Å; P91-Y93 WeakPolarHBondContact CG-OH 2.96Å; P91-Y93 WeakPolarHBondContact O-CD2 3.28Å; P91-Y93 WeakPolarHBondContact O-CE2 3.12Å
92R92.3Very high86.5Confident182 Ų18274.9 Ų74.969%0.68737%0.372SS*.EExtended strand (participates in β ladder)trans-86.4128.6174.5-63.5174.3179155-1.9109.1L75 I84 V85 K86L75-R92 HydrophobicContact CD1-CG 3.88Å; I84-R92 HydrophobicContact CG2-CB 4.14Å; V85-R92 WeakPolarHBondContact O-CA 3.44Å; K86-R92 HydrophobicContact CB-CG 4.29Å; K86-R92 HydrophobicContact CG-CG 4.35Å
93Y89.3Confident86.2Confident80 Ų8072.8 Ų72.831%0.31436%0.363SS..EExtended strand (participates in β ladder)trans-112.1145.7178.3-60.7-77.3000110.6I84 V85 A87 P91 L119I84-Y93 CarbonylContact C-O 3.59Å; I84-Y93 WeakPolarHBondContact CA-O 3.4Å; V85-Y93 PolarHBondContact N-O 2.91Å; V85-Y93 PolarHBondContact O-N 3.17Å; A87-Y93 HydrophobicContact CB-CD2 4.44Å; A87-Y93 HydrophobicContact CB-CE2 4.05Å; P91-Y93 WeakPolarHBondContact CD-OH 3.43Å; P91-Y93 HydrophobicContact CG-CE1 3.97Å; P91-Y93 HydrophobicContact CG-CE2 3.9Å; P91-Y93 VanDerWaalsContact CG-CZ 3.48Å; P91-Y93 VanDerWaalsContact CG-OH 3.31Å; P91-Y93 WeakPolarHBondContact CG-OH 2.96Å; P91-Y93 WeakPolarHBondContact O-CD2 3.28Å; P91-Y93 WeakPolarHBondContact O-CE2 3.12Å; Y93-L119 HydrophobicContact CD1-CD1 3.53Å; Y93-L119 HydrophobicContact CD2-CD1 4.42Å; Y93-L119 HydrophobicContact CE1-CD1 3.7Å; Y93-L119 HydrophobicContact CG-CD1 3.9Å
94V90.6Very high85.8Confident93 Ų9377.4 Ų77.456%0.56440%0.395SS*.EExtended strand (participates in β ladder)trans-92.3109.5165.6-179.50000106.9K82 F83 I84K82-V94 HydrophobicContact CB-CG1 4.13Å; K82-V94 HydrophobicContact CD-CG1 4.17Å; F83-V94 WeakPolarHBondContact O-CA 3.47Å; I84-V94 HydrophobicContact CG1-CG2 4.45Å
95V89.6Confident85.4Confident5 Ų580.2 Ų80.23%0.0341%0.405CS..EExtended strand (participates in β ladder)trans-117.2146-170.3-600000111.3K82 F83 V85 L114 L119 I121K82-V95 WeakPolarHBondContact CA-O 3.2Å; F83-V95 HydrophobicContact CB-CG2 4.34Å; F83-V95 PolarHBondContact N-O 2.76Å; F83-V95 WeakPolarHBondContact O-CG2 3.13Å; F83-V95 PolarHBondContact O-N 2.95Å; V85-V95 HydrophobicContact CB-CG2 3.85Å; V85-V95 HydrophobicContact CG2-CG2 3.34Å; V95-L114 HydrophobicContact CG1-CD1 4.48Å; V95-L114 HydrophobicContact CG1-CD2 4.46Å; V95-L114 HydrophobicContact CG2-CD2 4.27Å; V95-L119 WeakPolarHBondContact CB-O 3.39Å; V95-L119 HydrophobicContact CG1-CB 4.01Å; V95-L119 WeakPolarHBondContact CG1-O 3.08Å; V95-I121 HydrophobicContact CG2-CD1 3.85Å; V95-I121 HydrophobicContact CG2-CG1 3.78Å
96G87.8Confident85Confident32 Ų3280.4 Ų80.433%0.3341%0.406SS..EExtended strand (participates in β ladder)trans-79.7155.8169.200000111.5E81 I121E81-G96 WeakPolarHBondContact O-CA 3.38Å; G96-I121 PolarHBondContact O-N 3.04Å
97C84.6Confident84.7Confident21 Ų2182.8 Ų82.814%0.14242%0.417CS..BIsolated β-bridgetrans-102.2140.1171.8-174.60000111.3E81 F83 L106E81-C97 PolarHBondContact O-N 3.05Å; F83-C97 HydrophobicContact CD2-CB 4.1Å; F83-C97 HydrophobicContact CE2-CB 3.85Å; C97-L106 HydrophobicContact CB-CD1 4.32Å; C97-L106 VanDerWaalsContact SG-CD1 3.56Å
98R82.1Confident84.5Confident57 Ų5786.9 Ų86.922%0.21544%0.443CS..PPolyproline II helixtrans-61135.2171.5-177.6176.2172.1169.6-2.2110.4Q100 L101 I121R98-Q100 HydrophobicContact CG-CB 4.44Å; R98-Q100 PolarHBondContact O-N 2.91Å; R98-Q100 VanDerWaalsContact O-N 3.1Å; R98-L101 WeakPolarHBondContact O-CB 3.45Å; R98-L101 PolarHBondContact O-N 3.19Å; R98-I121 VanDerWaalsContact CB-O 3.31Å; R98-I121 WeakPolarHBondContact CB-O 3.41Å; R98-I121 PolarHBondContact N-O 2.81Å
99R79.7Confident84.5Confident236 Ų23684.9 Ų84.989%0.89144%0.439SS*.THydrogen-bonded Turntrans-57.2-28.5-177-70.1-176.9175.5171.2-0.9114.9L101R99-L101 VanDerWaalsContact C-N 3.32Å
100Q78.6Confident84.8Confident149 Ų14978.5 Ų78.570%0.69641%0.406SS*.THydrogen-bonded Turntrans-85.9-4.7-176.3-156169.610.900113.1R98R98-Q100 HydrophobicContact CG-CB 4.44Å; R98-Q100 PolarHBondContact O-N 2.91Å; R98-Q100 VanDerWaalsContact O-N 3.1Å
101L80.1Confident85Confident20 Ų2080 Ų8011%0.10540%0.403CS..SBendtrans-93.6135.6-178.2-167.7129.3000110.8R98 R99 K103 L106 I121 Y124R98-L101 WeakPolarHBondContact O-CB 3.45Å; R98-L101 PolarHBondContact O-N 3.19Å; R99-L101 VanDerWaalsContact C-N 3.32Å; L101-K103 PolarHBondContact O-N 3.21Å; L101-L106 HydrophobicContact CD2-CD1 3.56Å; L101-L106 HydrophobicContact CD2-CD2 3.83Å; L101-L106 HydrophobicContact CD2-CG 3.66Å; L101-I121 HydrophobicContact CD1-CG2 4.43Å; L101-I121 HydrophobicContact CD2-CG2 4.43Å; L101-Y124 HydrophobicContact CD1-CD1 4.34Å
102D80.8Confident85Confident83 Ų8376.3 Ų76.344%0.44438%0.379SS..  trans-64.1102.4177.6-68.2-29.9000110.9S104 K105D102-S104 PolarHBondContact O-N 3.12Å; D102-K105 HydrophobicContact CB-CB 4.5Å; D102-K105 HydrophobicContact CB-CD 3.98Å; D102-K105 HydrophobicContact CB-CG 4.13Å; D102-K105 PolarHBondContact O-N 3.2Å; D102-K105 WeakPolarHBondContact OD2-CE 3.47Å; D102-K105 IonicContact OD2-NZ 3.01Å; D102-K105 PolarHBondContact OD2-NZ 3.37Å
103K81.9Confident84.9Confident71 Ų7167.8 Ų67.831%0.30935%0.347SS..G310 helixtrans-61.7-26.8179.9-61.6176.7176.6-170.10112.9E80 L101 K105 L106E80-K103 WeakPolarHBondContact O-CD 3.34Å; E80-K103 WeakPolarHBondContact O-CE 3.48Å; E80-K103 PolarHBondContact O-NZ 3.1Å; L101-K103 PolarHBondContact O-N 3.21Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 2.82Å; K103-L106 PolarHBondContact O-N 3.27Å
104S82.4Confident84.8Confident96 Ų9664 Ų6467%0.67133%0.333SS*.G310 helixtrans-66.3-26.2178.956.60000113.7D102D102-S104 PolarHBondContact O-N 3.12Å
105K82.3Confident84.6Confident99 Ų9960.7 Ų60.743%0.4331%0.312SS..G310 helixtrans-82.3-15.7178.7-66.2177.6-178.1154.80112.6D102 K103 K107 T110D102-K105 HydrophobicContact CB-CB 4.5Å; D102-K105 HydrophobicContact CB-CD 3.98Å; D102-K105 HydrophobicContact CB-CG 4.13Å; D102-K105 PolarHBondContact O-N 3.2Å; D102-K105 WeakPolarHBondContact OD2-CE 3.47Å; D102-K105 IonicContact OD2-NZ 3.01Å; D102-K105 PolarHBondContact OD2-NZ 3.37Å; K103-K105 VanDerWaalsContact C-N 3.27Å; K103-K105 PolarHBondContact O-N 2.82Å; K105-K107 VanDerWaalsContact C-N 3.26Å; K105-K107 PolarHBondContact O-N 2.84Å; K105-T110 PolarHBondContact O-OG1 2.83Å
106L83.5Confident84.2Confident4 Ų465.7 Ų65.72%0.02134%0.336CS..  trans-81.269.6179.3-66.1177.8000111.6V74 F83 C97 L101 K103 V112 I121V74-L106 HydrophobicContact CG2-CD2 4.33Å; F83-L106 HydrophobicContact CD1-CB 4.41Å; F83-L106 HydrophobicContact CD2-CD1 4.34Å; F83-L106 HydrophobicContact CE1-CB 3.82Å; F83-L106 HydrophobicContact CE1-CD1 4.16Å; F83-L106 HydrophobicContact CE2-CD1 3.91Å; F83-L106 HydrophobicContact CZ-CB 4.14Å; F83-L106 HydrophobicContact CZ-CD1 3.81Å; C97-L106 HydrophobicContact CB-CD1 4.32Å; C97-L106 VanDerWaalsContact SG-CD1 3.56Å; L101-L106 HydrophobicContact CD2-CD1 3.56Å; L101-L106 HydrophobicContact CD2-CD2 3.83Å; L101-L106 HydrophobicContact CD2-CG 3.66Å; K103-L106 PolarHBondContact O-N 3.27Å; L106-V112 HydrophobicContact CD2-CG1 3.54Å; L106-I121 HydrophobicContact CD1-CD1 4.14Å; L106-I121 HydrophobicContact CD2-CG2 4.38Å
107K85.1Confident84Confident144 Ų14469.9 Ų69.963%0.62636%0.356SS*.  trans-83.1156.1173.5-66.3-178.9-178.2177.60110.8K105 G109 T110K105-K107 VanDerWaalsContact C-N 3.26Å; K105-K107 PolarHBondContact O-N 2.84Å; K107-G109 PolarHBondContact O-N 2.95Å; K107-T110 PolarHBondContact N-OG1 2.9Å; K107-T110 VanDerWaalsContact O-CB 3.28Å; K107-T110 WeakPolarHBondContact O-CB 3.44Å; K107-T110 PolarHBondContact O-N 2.91Å; K107-T110 PolarHBondContact O-OG1 3.01Å
108P85.2Confident84Confident93 Ų9372.9 Ų72.960%0.60437%0.373SS*.THydrogen-bonded Turntrans-48.9132.3166.4-27.536.7000111.2V74 L75V74-P108 CarbonylContact O-C 3.56Å; V74-P108 WeakPolarHBondContact O-CA 3.46Å; L75-P108 WeakPolarHBondContact O-CB 3.38Å
109G83.6Confident84.2Confident44 Ų4472.1 Ų72.145%0.45437%0.373SS..THydrogen-bonded Turntrans90.9-3.8-175.900000115.2E73 V74 K107E73-G109 WeakPolarHBondContact OE1-CA 3.31Å; V74-G109 PolarHBondContact O-N 3.32Å; K107-G109 PolarHBondContact O-N 2.95Å
110T86.9Confident84.6Confident32 Ų3263 Ų6320%0.19634%0.344CS..  trans-75.7129.4179.1-49.60000110.3V74 K105 K107V74-T110 PolarHBondContact N-O 2.81Å; K105-T110 PolarHBondContact O-OG1 2.83Å; K107-T110 PolarHBondContact N-OG1 2.9Å; K107-T110 VanDerWaalsContact O-CB 3.28Å; K107-T110 WeakPolarHBondContact O-CB 3.44Å; K107-T110 PolarHBondContact O-N 2.91Å; K107-T110 PolarHBondContact O-OG1 3.01Å
111R88.4Confident85Confident61 Ų6155.9 Ų55.923%0.2331%0.311CS..EExtended strand (participates in β ladder)trans-72.8137170.2-71.9-178.8105.4-165.917.5109.8G72 L125 E128G72-R111 CarbonylContact O-C 3.57Å; G72-R111 WeakPolarHBondContact O-CA 3.28Å; R111-L125 HydrophobicContact CB-CB 3.89Å; R111-L125 PolarHBondContact O-N 2.82Å; R111-E128 IonicContact CZ-OE1 2.69Å; R111-E128 IonicContact CZ-OE2 3.66Å; R111-E128 VanDerWaalsContact CZ-OE2 3.31Å; R111-E128 IonicContact NE-OE2 3.9Å; R111-E128 IonicContact NH1-OE1 2.93Å; R111-E128 IonicContact NH1-OE2 2.94Å; R111-E128 IonicContact NH2-OE1 3.72Å; R111-E128 PolarHBondContact NH2-OE1 3.07Å; R111-E128 IonicContact NH2-OE2 2.77Å; R111-E128 PolarHBondContact NH2-OE2 3.44Å
112V90.1Very high85.3Confident0 Ų056.5 Ų56.50%031%0.313CS..EExtended strand (participates in β ladder)trans-136.8149.9-178.9-68.60000110.1G72 V74 V85 L106 L114 I121 R123G72-V112 PolarHBondContact N-O 3.21Å; G72-V112 PolarHBondContact O-N 2.67Å; V74-V112 HydrophobicContact CG2-CB 4.46Å; V74-V112 HydrophobicContact CG2-CG1 3.64Å; V74-V112 HydrophobicContact CG2-CG2 3.91Å; V85-V112 HydrophobicContact CG1-CG2 3.79Å; V85-V112 HydrophobicContact CG2-CG2 4.05Å; L106-V112 HydrophobicContact CD2-CG1 3.54Å; V112-L114 HydrophobicContact CG2-CD2 4.18Å; V112-I121 HydrophobicContact CB-CG2 3.99Å; V112-I121 HydrophobicContact CG1-CG2 3.96Å; V112-I121 HydrophobicContact CG2-CG1 4.34Å; V112-R123 WeakPolarHBondContact CA-O 3.33Å
113A89.4Confident85.4Confident3 Ų357.6 Ų57.63%0.02531%0.311CS..EExtended strand (participates in β ladder)trans-97.1125.316900000109.1Q69 M122 R123 L125Q69-A113 HydrophobicContact CB-CB 4.17Å; A113-M122 PolarHBondContact O-N 2.89Å; A113-R123 HydrophobicContact CB-CG 3.54Å; A113-R123 PolarHBondContact N-O 2.87Å; A113-L125 HydrophobicContact CB-CD1 4.06Å; A113-L125 HydrophobicContact CB-CD2 4.37Å; A113-L125 HydrophobicContact CB-CG 4.18Å
114L88.1Confident85.7Confident0 Ų060 Ų600%032%0.319CS..EExtended strand (participates in β ladder)trans-98.4143.8175.5-55.8178.8000109.7Q69 I70 V85 V95 V112 T120 I121Q69-L114 WeakPolarHBondContact CA-O 3.49Å; Q69-L114 WeakPolarHBondContact CB-O 3.31Å; I70-L114 HydrophobicContact CB-CB 4.32Å; I70-L114 PolarHBondContact N-O 3.34Å; I70-L114 PolarHBondContact O-N 2.96Å; V85-L114 HydrophobicContact CB-CD1 4.33Å; V85-L114 HydrophobicContact CG1-CD1 3.78Å; V85-L114 HydrophobicContact CG1-CD2 4.2Å; V85-L114 HydrophobicContact CG1-CG 4.26Å; V85-L114 HydrophobicContact CG2-CD2 4.46Å; V95-L114 HydrophobicContact CG1-CD1 4.48Å; V95-L114 HydrophobicContact CG1-CD2 4.46Å; V95-L114 HydrophobicContact CG2-CD2 4.27Å; V112-L114 HydrophobicContact CG2-CD2 4.18Å; L114-T120 CarbonylContact C-O 3.59Å; L114-T120 VanDerWaalsContact CA-O 3.28Å; L114-T120 WeakPolarHBondContact CA-O 3.49Å; L114-I121 HydrophobicContact CD2-CB 4.32Å; L114-I121 HydrophobicContact CD2-CG1 3.57Å
115D85.8Confident85.9Confident24 Ų2457.4 Ų57.413%0.12830%0.298CS..PPolyproline II helixtrans-64.1141.4165.7177.743000110.8T117 T118 L119 T120 M122D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.4Å; D115-T117 PolarHBondContact OD2-N 2.94Å; D115-T117 PolarHBondContact OD2-OG1 3.26Å; D115-T118 WeakPolarHBondContact CB-OG1 3.34Å; D115-T118 WeakPolarHBondContact OD2-CB 3.39Å; D115-T118 PolarHBondContact OD2-N 3.29Å; D115-T118 PolarHBondContact OD2-OG1 2.8Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.06Å; D115-T120 PolarHBondContact N-O 2.76Å; D115-M122 HydrophobicContact CB-CG 3.85Å; D115-M122 HydrophobicContact CB-SD 4.25Å
116M82Confident85.9Confident110 Ų11057.8 Ų57.854%0.54231%0.31SS..THydrogen-bonded Turntrans-70.9-28.6-174.9-170.7168.4-103.900112.5I70I70-M116 HydrophobicContact CD1-CB 4.42Å; I70-M116 HydrophobicContact CD1-CG 4.12Å; I70-M116 HydrophobicContact CG1-CB 4.41Å; I70-M116 HydrophobicContact CG1-CE 4.12Å; I70-M116 HydrophobicContact CG1-CG 4.3Å
117T82.8Confident85.7Confident121 Ų12163.8 Ų63.874%0.74233%0.333SS*.THydrogen-bonded Turntrans-94.6-47.5-176.964.70000112.9D115D115-T117 VanDerWaalsContact C-N 3.32Å; D115-T117 PolarHBondContact O-N 3.4Å; D115-T117 PolarHBondContact OD2-N 2.94Å; D115-T117 PolarHBondContact OD2-OG1 3.26Å
118T84.7Confident85.3Confident83 Ų8362.7 Ų62.751%0.50933%0.33SS..THydrogen-bonded Turntrans-95.4-10.4-174.161.40000113.5D115 T120D115-T118 WeakPolarHBondContact CB-OG1 3.34Å; D115-T118 WeakPolarHBondContact OD2-CB 3.39Å; D115-T118 PolarHBondContact OD2-N 3.29Å; D115-T118 PolarHBondContact OD2-OG1 2.8Å; T118-T120 PolarHBondContact O-N 3.32Å; T118-T120 PolarHBondContact OG1-OG1 2.82Å
119L86.3Confident85Confident41 Ų4160.2 Ų60.222%0.21531%0.313CS..  trans54.319.7-173.4-58.1172.8000113.5I70 Y93 V95 D115I70-L119 HydrophobicContact CD1-CD2 4.04Å; Y93-L119 HydrophobicContact CD1-CD1 3.53Å; Y93-L119 HydrophobicContact CD2-CD1 4.42Å; Y93-L119 HydrophobicContact CE1-CD1 3.7Å; Y93-L119 HydrophobicContact CG-CD1 3.9Å; V95-L119 WeakPolarHBondContact CB-O 3.39Å; V95-L119 HydrophobicContact CG1-CB 4.01Å; V95-L119 WeakPolarHBondContact CG1-O 3.08Å; D115-L119 WeakPolarHBondContact O-CA 3.34Å; D115-L119 PolarHBondContact O-N 3.06Å
120T87.9Confident84.9Confident45 Ų4559.5 Ų59.528%0.27630%0.299SS..  trans-75.2145176.958.60000111.2L114 D115 T118 M122L114-T120 CarbonylContact C-O 3.59Å; L114-T120 VanDerWaalsContact CA-O 3.28Å; L114-T120 WeakPolarHBondContact CA-O 3.49Å; D115-T120 PolarHBondContact N-O 2.76Å; T118-T120 PolarHBondContact O-N 3.32Å; T118-T120 PolarHBondContact OG1-OG1 2.82Å; T120-M122 PolarHBondContact O-N 2.82Å; T120-M122 VanDerWaalsContact O-N 3.17Å
121I88.1Confident84.7Confident0 Ų062.4 Ų62.40%032%0.318CS..EExtended strand (participates in β ladder)trans-69.3112.4174.2-61.5168.5000108.8F83 V85 V95 G96 R98 L101 L106 V112 L114F83-I121 HydrophobicContact CB-CD1 4.08Å; F83-I121 HydrophobicContact CD2-CD1 4.18Å; F83-I121 HydrophobicContact CG-CD1 4.23Å; V85-I121 HydrophobicContact CG2-CD1 4Å; V85-I121 HydrophobicContact CG2-CG1 4.32Å; V95-I121 HydrophobicContact CG2-CD1 3.85Å; V95-I121 HydrophobicContact CG2-CG1 3.78Å; G96-I121 PolarHBondContact O-N 3.04Å; R98-I121 VanDerWaalsContact CB-O 3.31Å; R98-I121 WeakPolarHBondContact CB-O 3.41Å; R98-I121 PolarHBondContact N-O 2.81Å; L101-I121 HydrophobicContact CD1-CG2 4.43Å; L101-I121 HydrophobicContact CD2-CG2 4.43Å; L106-I121 HydrophobicContact CD1-CD1 4.14Å; L106-I121 HydrophobicContact CD2-CG2 4.38Å; V112-I121 HydrophobicContact CB-CG2 3.99Å; V112-I121 HydrophobicContact CG1-CG2 3.96Å; V112-I121 HydrophobicContact CG2-CG1 4.34Å; L114-I121 HydrophobicContact CD2-CB 4.32Å; L114-I121 HydrophobicContact CD2-CG1 3.57Å
122M85.3Confident84.3Confident32 Ų3263.8 Ų63.816%0.15833%0.33CS..EExtended strand (participates in β ladder)trans-89.5-46.4-178.3-68.3-65.3-85.700112A113 D115 T120A113-M122 PolarHBondContact O-N 2.89Å; D115-M122 HydrophobicContact CB-CG 3.85Å; D115-M122 HydrophobicContact CB-SD 4.25Å; T120-M122 PolarHBondContact O-N 2.82Å; T120-M122 VanDerWaalsContact O-N 3.17Å
123R84.4Confident84Confident107 Ų10763.8 Ų63.840%0.40433%0.33SS..EExtended strand (participates in β ladder)trans-148.7152.5-178.953.1-179.7154.3-165.5-6.6110.8Q69 V112 A113Q69-R123 VanDerWaalsContact CD-NH2 3.29Å; V112-R123 WeakPolarHBondContact CA-O 3.33Å; A113-R123 HydrophobicContact CB-CG 3.54Å; A113-R123 PolarHBondContact N-O 2.87Å
124Y87.6Confident83.5Confident120 Ų12069.5 Ų69.547%0.47135%0.351SS..EExtended strand (participates in β ladder)trans-79.2145.4163.466.9-88.2000108.5L101L101-Y124 HydrophobicContact CD1-CD1 4.34Å
125L87.1Confident83.2Confident43 Ų4374.6 Ų74.623%0.22538%0.378CS..  trans-108.6148.1176.2-68.1169.9000108.6V71 R111 A113V71-L125 HydrophobicContact CB-CD1 4.44Å; V71-L125 HydrophobicContact CG1-CD1 3.9Å; V71-L125 HydrophobicContact CG2-CD1 4Å; R111-L125 HydrophobicContact CB-CB 3.89Å; R111-L125 PolarHBondContact O-N 2.82Å; A113-L125 HydrophobicContact CB-CD1 4.06Å; A113-L125 HydrophobicContact CB-CD2 4.37Å; A113-L125 HydrophobicContact CB-CG 4.18Å
126P82.3Confident82.9Confident106 Ų10674.7 Ų74.769%0.68838%0.378SS*.PPolyproline II helixtrans-59.8157.2168.428-33.5000109.8
127R78.4Confident82.5Confident131 Ų13170.5 Ų70.549%0.49436%0.36SS..PPolyproline II helixtrans-59147.8176.8-166.6177.6171.2-177.8-5.7109.9V129 N234R127-V129 PolarHBondContact O-N 3.18Å; R127-N234 VanDerWaalsContact NH1-CB 3.34Å; R127-N234 PolarHBondContact NH1-ND2 3.07Å; R127-N234 PolarHBondContact NH1-OD1 3.32Å; R127-N234 PolarHBondContact NH2-ND2 3.4Å
128E76.8Confident81.7Confident120 Ų12069.7 Ų69.756%0.56135%0.348SS*.PPolyproline II helixtrans-65.1128167.9-165.1148.5-132.400108.6R111R111-E128 IonicContact CZ-OE1 2.69Å; R111-E128 IonicContact CZ-OE2 3.66Å; R111-E128 VanDerWaalsContact CZ-OE2 3.31Å; R111-E128 IonicContact NE-OE2 3.9Å; R111-E128 IonicContact NH1-OE1 2.93Å; R111-E128 IonicContact NH1-OE2 2.94Å; R111-E128 IonicContact NH2-OE1 3.72Å; R111-E128 PolarHBondContact NH2-OE1 3.07Å; R111-E128 IonicContact NH2-OE2 2.77Å; R111-E128 PolarHBondContact NH2-OE2 3.44Å
129V78.9Confident80.9Confident42 Ų4269.1 Ų69.126%0.25534%0.339SS..  trans-118.7129176-176.40000105.5R127 V133 Y235R127-V129 PolarHBondContact O-N 3.18Å; V129-V133 HydrophobicContact CG1-CB 3.83Å; V129-V133 HydrophobicContact CG1-CG1 3.92Å; V129-Y235 HydrophobicContact CB-CD2 4.38Å; V129-Y235 HydrophobicContact CG1-CD2 3.67Å; V129-Y235 HydrophobicContact CG1-CE2 4.23Å; V129-Y235 HydrophobicContact CG1-CG 4.37Å; V129-Y235 HydrophobicContact CG2-CD2 3.8Å; V129-Y235 HydrophobicContact CG2-CE2 4.28Å
130D81.6Confident79.8Confident28 Ų2873.4 Ų73.415%0.1536%0.362CS..  trans-51.9133.6174.1-88.6-32000110L132 V133 Y134 R227 L228 E231D130-L132 PolarHBondContact O-N 3.1Å; D130-V133 HydrophobicContact CB-CG2 4.26Å; D130-V133 PolarHBondContact O-N 3.47Å; D130-Y134 PolarHBondContact O-N 3.26Å; D130-Y134 VanDerWaalsContact O-N 3.15Å; D130-R227 IonicContact OD1-NH2 3.95Å; D130-R227 PolarHBondContact OD1-NH2 3.11Å; D130-R227 VanDerWaalsContact OD1-NH2 3.15Å; D130-R227 IonicContact OD2-CZ 3.69Å; D130-R227 IonicContact OD2-NE 3.66Å; D130-R227 PolarHBondContact OD2-NE 3.42Å; D130-R227 IonicContact OD2-NH2 2.79Å; D130-R227 PolarHBondContact OD2-NH2 3.44Å; D130-L228 HydrophobicContact CB-CD1 4.29Å; D130-E231 WeakPolarHBondContact CB-OE2 3.49Å; D130-E231 PolarHBondContact N-OE2 3.18Å; D130-E231 VanDerWaalsContact OD2-CD 3.25Å; D130-E231 VanDerWaalsContact OD2-OE2 3.05Å
131P81.8Confident78.7Confident93 Ų9372.5 Ų72.560%0.60436%0.358SS*.Hα-helixtrans-55-30.6-177.8-27.534.2000113.5Y134 N135P131-Y134 PolarHBondContact O-N 3.16Å; P131-N135 WeakPolarHBondContact O-CB 3.47Å; P131-N135 PolarHBondContact O-N 3.07Å; P131-N135 PolarHBondContact O-ND2 2.96Å
132L81.4Confident77.7Confident91 Ų9173.9 Ų73.948%0.47637%0.372SS..Hα-helixtrans-61.4-46.2175.4-65176.3000111.7D130 Y134 N135 M136 L228D130-L132 PolarHBondContact O-N 3.1Å; L132-Y134 VanDerWaalsContact C-N 3.35Å; L132-N135 PolarHBondContact O-N 2.97Å; L132-M136 HydrophobicContact CB-CE 4.37Å; L132-M136 VanDerWaalsContact O-CG 3.23Å; L132-M136 WeakPolarHBondContact O-CG 3.48Å; L132-M136 PolarHBondContact O-N 2.94Å; L132-M136 VanDerWaalsContact O-N 3.09Å; L132-L228 HydrophobicContact CB-CD1 4.08Å; L132-L228 HydrophobicContact CD1-CD1 4.43Å; L132-L228 HydrophobicContact CD1-CD2 4.49Å
133V82.3Confident77.2Confident0 Ų079.9 Ų79.90%041%0.405CS..Hα-helixtrans-67.1-39178.3-179.30000110.8V129 D130 N135 M136 S137 L228 E231 M232 Y235V129-V133 HydrophobicContact CG1-CB 3.83Å; V129-V133 HydrophobicContact CG1-CG1 3.92Å; D130-V133 HydrophobicContact CB-CG2 4.26Å; D130-V133 PolarHBondContact O-N 3.47Å; V133-N135 VanDerWaalsContact C-N 3.34Å; V133-N135 PolarHBondContact O-N 2.79Å; V133-M136 WeakPolarHBondContact O-CB 3.29Å; V133-M136 PolarHBondContact O-N 3.03Å; V133-S137 PolarHBondContact O-N 2.88Å; V133-L228 HydrophobicContact CG2-CD1 3.46Å; V133-L228 VanDerWaalsContact CG2-CD1 3.46Å; V133-L228 HydrophobicContact CG2-CG 4.39Å; V133-E231 HydrophobicContact CG2-CB 4.29Å; V133-M232 HydrophobicContact CG1-CB 4.46Å; V133-M232 HydrophobicContact CG2-CB 4.46Å; V133-Y235 HydrophobicContact CG1-CD1 4.31Å; V133-Y235 HydrophobicContact CG1-CG 4Å
134Y80.9Confident77Confident122 Ų12276.2 Ų76.248%0.47839%0.394SS..Hα-helixtrans-64.6-39177.2-171.5-97.6000112.2D130 P131 L132 M136 S137 H138D130-Y134 PolarHBondContact O-N 3.26Å; D130-Y134 VanDerWaalsContact O-N 3.15Å; P131-Y134 PolarHBondContact O-N 3.16Å; L132-Y134 VanDerWaalsContact C-N 3.35Å; Y134-M136 VanDerWaalsContact C-N 3.33Å; Y134-S137 PolarHBondContact O-N 3.17Å; Y134-S137 PolarHBondContact O-OG 2.93Å; Y134-H138 AromaticContact CD1-CE1 3.9Å; Y134-H138 AromaticContact CD1-ND1 3.86Å; Y134-H138 AromaticContact CD2-CE1 3.91Å; Y134-H138 AromaticContact CE1-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE1-CE1 3.35Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE1-NE2 3.85Å; Y134-H138 AromaticContact CE2-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.15Å; Y134-H138 AromaticContact CZ-CE1 3.03Å; Y134-H138 AromaticContact CZ-ND1 3.83Å; Y134-H138 AromaticContact CZ-NE2 3.52Å; Y134-H138 PolarHBondContact O-N 3.43Å; Y134-H138 PolarHBondContact O-ND1 2.89Å; Y134-H138 PolarHBondContact OH-CE1 2.91Å; Y134-H138 VanDerWaalsContact OH-CE1 3.29Å; Y134-H138 PolarHBondContact OH-NE2 3.29Å
135N81.3Confident76.9Confident107 Ų10772.5 Ų72.557%0.57239%0.385SS*.Hα-helixtrans-66.9-35174.7-69.9-18.6000112.1P131 L132 V133 S137 H138P131-N135 WeakPolarHBondContact O-CB 3.47Å; P131-N135 PolarHBondContact O-N 3.07Å; P131-N135 PolarHBondContact O-ND2 2.96Å; L132-N135 PolarHBondContact O-N 2.97Å; V133-N135 VanDerWaalsContact C-N 3.34Å; V133-N135 PolarHBondContact O-N 2.79Å; N135-S137 PolarHBondContact O-N 3.23Å; N135-H138 PolarHBondContact O-N 3.43Å
136M79.5Confident76.7Confident26 Ų2672 Ų7213%0.12838%0.381CS..Hα-helixtrans-65.6-23.7175.8-68.8166.3-168.900113.3L132 V133 Y134 K211 V212L132-M136 HydrophobicContact CB-CE 4.37Å; L132-M136 VanDerWaalsContact O-CG 3.23Å; L132-M136 WeakPolarHBondContact O-CG 3.48Å; L132-M136 PolarHBondContact O-N 2.94Å; L132-M136 VanDerWaalsContact O-N 3.09Å; V133-M136 WeakPolarHBondContact O-CB 3.29Å; V133-M136 PolarHBondContact O-N 3.03Å; Y134-M136 VanDerWaalsContact C-N 3.33Å; M136-K211 PolarHBondContact O-N 3.49Å; M136-V212 HydrophobicContact CE-CG1 4.17Å; M136-V212 HydrophobicContact CG-CG2 4.4Å; M136-V212 HydrophobicContact SD-CB 4.36Å; M136-V212 HydrophobicContact SD-CG1 4Å; M136-V212 HydrophobicContact SD-CG2 3.66Å
137S73.1Confident76.8Confident23 Ų2371.5 Ų71.516%0.16138%0.38CS..Hα-helixtrans-88.6-20.8179.473.80000114.6V133 Y134 N135 E139 Y235V133-S137 PolarHBondContact O-N 2.88Å; Y134-S137 PolarHBondContact O-N 3.17Å; Y134-S137 PolarHBondContact O-OG 2.93Å; N135-S137 PolarHBondContact O-N 3.23Å; S137-E139 VanDerWaalsContact C-N 3.32Å; S137-Y235 VanDerWaalsContact CB-CE1 3.48Å; S137-Y235 WeakPolarHBondContact CB-OH 3.19Å; S137-Y235 PolarHBondContact OG-OH 3.3Å
138H66.8Low77.1Confident103 Ų10369.7 Ų69.748%0.47738%0.377SS..SBendtrans-902.2178.1-72.868.8000112.8Y134 N135 D140Y134-H138 AromaticContact CD1-CE1 3.9Å; Y134-H138 AromaticContact CD1-ND1 3.86Å; Y134-H138 AromaticContact CD2-CE1 3.91Å; Y134-H138 AromaticContact CE1-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE1-CE1 3.35Å; Y134-H138 AromaticContact CE1-ND1 3.68Å; Y134-H138 AromaticContact CE1-NE2 3.85Å; Y134-H138 AromaticContact CE2-CE1 3.34Å; Y134-H138 WeakPolarHBondContact CE2-CE1 3.15Å; Y134-H138 AromaticContact CZ-CE1 3.03Å; Y134-H138 AromaticContact CZ-ND1 3.83Å; Y134-H138 AromaticContact CZ-NE2 3.52Å; Y134-H138 PolarHBondContact O-N 3.43Å; Y134-H138 PolarHBondContact O-ND1 2.89Å; Y134-H138 PolarHBondContact OH-CE1 2.91Å; Y134-H138 VanDerWaalsContact OH-CE1 3.29Å; Y134-H138 PolarHBondContact OH-NE2 3.29Å; N135-H138 PolarHBondContact O-N 3.43Å; H138-D140 PolarHBondContact O-N 3.34Å
139E66.4Low77.6Confident71 Ų7165.2 Ų65.233%0.33236%0.357SS..SBendtrans-75.795.2171.9-157.8-179.7170.700108.4S137 K211S137-E139 VanDerWaalsContact C-N 3.32Å; E139-K211 IonicContact OE1-NZ 3.41Å; E139-K211 PolarHBondContact OE1-NZ 3.4Å; E139-K211 WeakPolarHBondContact OE2-CD 3.45Å; E139-K211 IonicContact OE2-NZ 2.67Å; E139-K211 PolarHBondContact OE2-NZ 3.15Å
140D64.6Low77.9Confident131 Ų13163.6 Ų63.670%0.70135%0.348SS*.  trans-51.2131.5179.5-74.1-43.2000110H138 G142 R199H138-D140 PolarHBondContact O-N 3.34Å; D140-G142 PolarHBondContact O-N 2.95Å; D140-R199 PolarHBondContact O-NH2 3.05Å
141P63.8Low78Confident27 Ų2764 Ų6418%0.17536%0.359CS..  trans-61.4-10.4177.821.3-29.2000112.4R199 A202 F209P141-R199 PolarHBondContact O-NE 2.94Å; P141-A202 HydrophobicContact CB-CB 4Å; P141-F209 HydrophobicContact CB-CB 4.2Å; P141-F209 HydrophobicContact CB-CD1 4.04Å; P141-F209 HydrophobicContact CB-CG 4.18Å; P141-F209 HydrophobicContact CG-CB 4.25Å
142G66.6Low78.2Confident29 Ų2960.6 Ų60.630%0.29934%0.336SS..  trans78.1164.3-17200000110.6D140 V144 S203D140-G142 PolarHBondContact O-N 2.95Å; G142-V144 VanDerWaalsContact C-N 3.29Å; G142-V144 PolarHBondContact O-N 3.37Å; G142-S203 VanDerWaalsContact O-CB 3.29Å; G142-S203 WeakPolarHBondContact O-CB 3.44Å; G142-S203 PolarHBondContact O-OG 2.89Å
143N75.1Confident78.5Confident158 Ų15860.1 Ų60.185%0.84534%0.34SS*.SBendtrans-91.765.1172.3-72.7-10.1000109.2
144V80.6Confident78.8Confident29 Ų2965.4 Ų65.418%0.17637%0.365CS..  trans-97.2117.2179.3-175.40000108.9G142 E148 A200G142-V144 VanDerWaalsContact C-N 3.29Å; G142-V144 PolarHBondContact O-N 3.37Å; V144-E148 HydrophobicContact CG1-CB 4.34Å; V144-A200 HydrophobicContact CB-CB 4.46Å; V144-A200 HydrophobicContact CG1-CB 4.14Å
145S84.8Confident79.3Confident42 Ų4261.3 Ų61.329%0.29435%0.35SS..  trans-87.4155.9176.663.60000112.2S147 E148S145-S147 WeakPolarHBondContact CB-OG 3.47Å; S145-S147 PolarHBondContact O-N 2.86Å; S145-S147 PolarHBondContact OG-OG 3.32Å; S145-E148 PolarHBondContact N-OE1 3.42Å; S145-E148 VanDerWaalsContact N-OE1 3.16Å; S145-E148 WeakPolarHBondContact O-CB 3.39Å; S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 PolarHBondContact OG-OE1 2.9Å
146Y84.8Confident79.8Confident33 Ų3357.2 Ų57.213%0.12933%0.328CS..G310 helixtrans-60.5-24.6172.4-69.4-50.9000113E148 I149 I156 R160 A200 V201 Q204Y146-E148 PolarHBondContact O-N 3.22Å; Y146-I149 PolarHBondContact O-N 3.22Å; Y146-I149 VanDerWaalsContact O-N 3.11Å; Y146-I156 HydrophobicContact CD1-CD1 4.28Å; Y146-I156 HydrophobicContact CD1-CG1 4.34Å; Y146-I156 HydrophobicContact CD1-CG2 3.77Å; Y146-I156 HydrophobicContact CD2-CG2 4.46Å; Y146-I156 HydrophobicContact CE1-CG2 3.84Å; Y146-I156 HydrophobicContact CE2-CG2 4.49Å; Y146-I156 HydrophobicContact CG-CG2 4.14Å; Y146-R160 HydrophobicContact CE2-CG 4.21Å; Y146-A200 HydrophobicContact CD1-CB 4.12Å; Y146-A200 HydrophobicContact CE1-CB 4.15Å; Y146-V201 HydrophobicContact CE1-CG2 4Å; Y146-V201 WeakPolarHBondContact OH-CG2 3.42Å; Y146-Q204 HydrophobicContact CE2-CB 4.43Å; Y146-Q204 HydrophobicContact CE2-CG 4.35Å
147S84Confident80.3Confident96 Ų9662.9 Ų62.967%0.67135%0.348SS*.G310 helixtrans-65.3-20.4174.7330000113.9S145 I149S145-S147 WeakPolarHBondContact CB-OG 3.47Å; S145-S147 PolarHBondContact O-N 2.86Å; S145-S147 PolarHBondContact OG-OG 3.32Å; S147-I149 VanDerWaalsContact C-N 3.28Å
148E83.8Confident81.2Confident93 Ų9365.7 Ų65.744%0.43536%0.358SS..G310 helixtrans-84.8-2.3175.4-68.8160.8-123.300112.7V144 S145 Y146V144-E148 HydrophobicContact CG1-CB 4.34Å; S145-E148 PolarHBondContact N-OE1 3.42Å; S145-E148 VanDerWaalsContact N-OE1 3.16Å; S145-E148 WeakPolarHBondContact O-CB 3.39Å; S145-E148 PolarHBondContact O-N 3.29Å; S145-E148 PolarHBondContact OG-OE1 2.9Å; Y146-E148 PolarHBondContact O-N 3.22Å
149I86.8Confident82.3Confident26 Ų2660.8 Ų60.813%0.13334%0.335CS..SBendtrans-107.2108.8177.4-55.6178.7000109.3Y146 S147 L152 I156 L197 A200Y146-I149 PolarHBondContact O-N 3.22Å; Y146-I149 VanDerWaalsContact O-N 3.11Å; S147-I149 VanDerWaalsContact C-N 3.28Å; I149-L152 HydrophobicContact CG2-CB 4.13Å; I149-L152 HydrophobicContact CG2-CD1 3.91Å; I149-L152 HydrophobicContact CG2-CG 4.4Å; I149-I156 HydrophobicContact CB-CD1 4.2Å; I149-I156 HydrophobicContact CG2-CD1 4.05Å; I149-L197 HydrophobicContact CD1-CB 4.38Å; I149-A200 HydrophobicContact CD1-CB 3.57Å
150G85.1Confident83.4Confident7 Ų762.1 Ų62.17%0.07234%0.337CS..  trans-82.3137179.100000113.3L152G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 2.84Å; G150-L152 VanDerWaalsContact O-N 3.16Å
151G83.9Confident84.5Confident37 Ų3760 Ų6038%0.38132%0.324SS..SBendtrans71.74.8162.300000118.7
152L86.9Confident85.6Confident21 Ų2159.1 Ų59.111%0.1132%0.318CS..  trans-10635.9-179.8-65.6175.1000112.8I149 G150 E154 Q155 I156 L197 I315I149-L152 HydrophobicContact CG2-CB 4.13Å; I149-L152 HydrophobicContact CG2-CD1 3.91Å; I149-L152 HydrophobicContact CG2-CG 4.4Å; G150-L152 VanDerWaalsContact C-N 3.3Å; G150-L152 PolarHBondContact O-N 2.84Å; G150-L152 VanDerWaalsContact O-N 3.16Å; L152-E154 PolarHBondContact O-N 3.43Å; L152-Q155 HydrophobicContact CB-CB 4.48Å; L152-Q155 PolarHBondContact O-N 3Å; L152-Q155 PolarHBondContact O-OE1 3.4Å; L152-I156 HydrophobicContact CB-CD1 4.38Å; L152-I156 HydrophobicContact CB-CG1 4.48Å; L152-I156 WeakPolarHBondContact O-CB 3.42Å; L152-I156 WeakPolarHBondContact O-CD1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.69Å; L152-L197 HydrophobicContact CB-CD1 4.44Å; L152-L197 HydrophobicContact CD1-CD1 4.14Å; L152-I315 HydrophobicContact CD1-CG2 4.32Å; L152-I315 HydrophobicContact CD2-CG2 3.88Å
153S87.2Confident86.6Confident81 Ų8157.9 Ų57.957%0.56630%0.304SS*.Hα-helixtrans-60.8-41.9-171.555.40000113.6R157S153-R157 WeakPolarHBondContact O-CB 3.5Å; S153-R157 PolarHBondContact O-N 3.43Å
154E89.9Confident87.1Confident112 Ų11251.9 Ų51.952%0.52327%0.271SS..Hα-helixtrans-67.6-45.1178.6-67.2-57.4127.200111.1L152 I156 R157 E158L152-E154 PolarHBondContact O-N 3.43Å; E154-I156 VanDerWaalsContact C-N 3.34Å; E154-I156 PolarHBondContact O-N 2.72Å; E154-R157 WeakPolarHBondContact O-CB 3.47Å; E154-R157 PolarHBondContact O-N 2.91Å; E154-E158 PolarHBondContact O-N 3.3Å
155Q91.3Very high87.4Confident36 Ų3653.5 Ų53.517%0.16828%0.278CS..Hα-helixtrans-65.3-38.3178.7-6481.73.800111.8L152 L159 L197 I313 H314 I315L152-Q155 HydrophobicContact CB-CB 4.48Å; L152-Q155 PolarHBondContact O-N 3Å; L152-Q155 PolarHBondContact O-OE1 3.4Å; Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 PolarHBondContact O-N 3.18Å; Q155-L197 HydrophobicContact CB-CD1 4.37Å; Q155-I313 HydrophobicContact CB-CG2 3.76Å; Q155-I313 HydrophobicContact CG-CG2 3.62Å; Q155-H314 PolarHBondContact NE2-O 2.76Å; Q155-I315 HydrophobicContact CG-CG1 4.3Å
156I90.4Very high87.4Confident20 Ų2052 Ų5210%0.10327%0.268CS..Hα-helixtrans-62.2-46.5173.3-70.1165000109.5Y146 I149 L152 E154 E158 L159 R160 L197Y146-I156 HydrophobicContact CD1-CD1 4.28Å; Y146-I156 HydrophobicContact CD1-CG1 4.34Å; Y146-I156 HydrophobicContact CD1-CG2 3.77Å; Y146-I156 HydrophobicContact CD2-CG2 4.46Å; Y146-I156 HydrophobicContact CE1-CG2 3.84Å; Y146-I156 HydrophobicContact CE2-CG2 4.49Å; Y146-I156 HydrophobicContact CG-CG2 4.14Å; I149-I156 HydrophobicContact CB-CD1 4.2Å; I149-I156 HydrophobicContact CG2-CD1 4.05Å; L152-I156 HydrophobicContact CB-CD1 4.38Å; L152-I156 HydrophobicContact CB-CG1 4.48Å; L152-I156 WeakPolarHBondContact O-CB 3.42Å; L152-I156 WeakPolarHBondContact O-CD1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.29Å; L152-I156 PolarHBondContact O-N 2.69Å; E154-I156 VanDerWaalsContact C-N 3.34Å; E154-I156 PolarHBondContact O-N 2.72Å; I156-E158 PolarHBondContact O-N 3.03Å; I156-L159 PolarHBondContact O-N 3.07Å; I156-R160 HydrophobicContact CG2-CG 4.22Å; I156-R160 WeakPolarHBondContact O-CB 2.85Å; I156-R160 VanDerWaalsContact O-CG 3.22Å; I156-R160 WeakPolarHBondContact O-CG 3.39Å; I156-R160 PolarHBondContact O-N 3.49Å; I156-L197 HydrophobicContact CG1-CD1 4.02Å
157R90.9Very high87.3Confident145 Ų14551.6 Ų51.655%0.54727%0.267SS..Hα-helixtrans-58.4-49.5178-180-175171.3178.52.1111.7S153 E154 L159 R160 E161S153-R157 WeakPolarHBondContact O-CB 3.5Å; S153-R157 PolarHBondContact O-N 3.43Å; E154-R157 WeakPolarHBondContact O-CB 3.47Å; E154-R157 PolarHBondContact O-N 2.91Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.28Å; R157-R160 PolarHBondContact O-N 3.47Å; R157-E161 IonicContact CZ-OE1 2.72Å; R157-E161 IonicContact NE-OE1 3.38Å; R157-E161 PolarHBondContact NE-OE1 3.16Å; R157-E161 IonicContact NH2-OE1 2.68Å; R157-E161 WeakPolarHBondContact O-CG 3.37Å; R157-E161 PolarHBondContact O-N 2.72Å
158E91.1Very high87.4Confident82 Ų8250.4 Ų50.438%0.38326%0.256SS..Hα-helixtrans-58-44.2177.4-72.7-174171.900111.6E154 I156 R160 E161 V162 I313E154-E158 PolarHBondContact O-N 3.3Å; I156-E158 PolarHBondContact O-N 3.03Å; E158-R160 PolarHBondContact O-N 3.48Å; E158-E161 PolarHBondContact O-N 3.43Å; E158-V162 WeakPolarHBondContact O-CG2 3.46Å; E158-V162 PolarHBondContact O-N 3.42Å; E158-V162 VanDerWaalsContact O-N 3.16Å; E158-I313 HydrophobicContact CB-CD1 3.84Å; E158-I313 HydrophobicContact CB-CG1 4.33Å; E158-I313 WeakPolarHBondContact OE2-CG1 3.38Å
159L89.9Confident87.4Confident0 Ų050 Ų500%026%0.257CS..Hα-helixtrans-67.5-37.7-179.9-165.466000112.4Q155 I156 R157 V162 I163 C184 L197 V201 I290 I313Q155-L159 WeakPolarHBondContact O-CB 3.4Å; Q155-L159 PolarHBondContact O-N 3.18Å; I156-L159 PolarHBondContact O-N 3.07Å; R157-L159 VanDerWaalsContact C-N 3.31Å; R157-L159 PolarHBondContact O-N 3.28Å; L159-V162 PolarHBondContact O-N 3.28Å; L159-I163 HydrophobicContact CD1-CD1 3.41Å; L159-I163 VanDerWaalsContact CD1-CD1 3.41Å; L159-I163 HydrophobicContact CD1-CG1 4.02Å; L159-I163 HydrophobicContact CD2-CD1 4.38Å; L159-I163 HydrophobicContact CG-CD1 3.81Å; L159-I163 HydrophobicContact CG-CG1 4.35Å; L159-I163 WeakPolarHBondContact O-CB 3.45Å; L159-I163 PolarHBondContact O-N 2.97Å; L159-C184 HydrophobicContact CD1-CB 3.93Å; L159-L197 HydrophobicContact CB-CD2 4.45Å; L159-L197 HydrophobicContact CD2-CD2 3.13Å; L159-L197 HydrophobicContact CD2-CG 4.31Å; L159-L197 HydrophobicContact CG-CD2 4.33Å; L159-V201 HydrophobicContact CD2-CB 4.29Å; L159-V201 HydrophobicContact CD2-CG2 3.26Å; L159-V201 HydrophobicContact CG-CG2 3.95Å; L159-I290 HydrophobicContact CD2-CD1 4.44Å; L159-I313 HydrophobicContact CB-CD1 4.01Å; L159-I313 HydrophobicContact CD1-CD1 4.03Å
160R89.4Confident87.2Confident99 Ų9951.2 Ų51.237%0.37427%0.267SS..Iπ-helixtrans-62.8-42.7174.8-70.3-17973.7-169.31.1111.7Y146 I156 R157 E158 V162 E164 L165Y146-R160 HydrophobicContact CE2-CG 4.21Å; I156-R160 HydrophobicContact CG2-CG 4.22Å; I156-R160 WeakPolarHBondContact O-CB 2.85Å; I156-R160 VanDerWaalsContact O-CG 3.22Å; I156-R160 WeakPolarHBondContact O-CG 3.39Å; I156-R160 PolarHBondContact O-N 3.49Å; R157-R160 PolarHBondContact O-N 3.47Å; E158-R160 PolarHBondContact O-N 3.48Å; R160-V162 PolarHBondContact O-N 3.2Å; R160-E164 HydrophobicContact CB-CB 4.39Å; R160-E164 VanDerWaalsContact CG-OE2 3.29Å; R160-E164 WeakPolarHBondContact CG-OE2 3.26Å; R160-E164 IonicContact CZ-OE1 3.98Å; R160-E164 IonicContact CZ-OE2 2.86Å; R160-E164 IonicContact NE-OE1 2.66Å; R160-E164 IonicContact NE-OE2 2.71Å; R160-E164 PolarHBondContact NE-OE2 3.15Å; R160-E164 IonicContact NH2-OE1 3.79Å; R160-E164 PolarHBondContact NH2-OE1 2.92Å; R160-E164 IonicContact NH2-OE2 2.89Å; R160-E164 PolarHBondContact NH2-OE2 3.24Å; R160-E164 WeakPolarHBondContact O-CA 3.37Å; R160-E164 WeakPolarHBondContact O-CB 3.48Å; R160-E164 PolarHBondContact O-N 3.17Å; R160-L165 PolarHBondContact O-N 3.35Å
161E87.8Confident87.2Confident88 Ų8856.3 Ų56.341%0.41129%0.288SS..Iπ-helixtrans-62.4-32.3176.2-71.4177.2-169.300112.3R157 E158 L165R157-E161 IonicContact CZ-OE1 2.72Å; R157-E161 IonicContact NE-OE1 3.38Å; R157-E161 PolarHBondContact NE-OE1 3.16Å; R157-E161 IonicContact NH2-OE1 2.68Å; R157-E161 WeakPolarHBondContact O-CG 3.37Å; R157-E161 PolarHBondContact O-N 2.72Å; E158-E161 PolarHBondContact O-N 3.43Å; E161-L165 WeakPolarHBondContact O-CB 3.35Å
162V87.2Confident87.3Confident8 Ų858.4 Ų58.45%0.04829%0.29CS..Iπ-helixtrans-84.6-34.8-177.3174.10000113.2E158 L159 R160 P166 P181 C184 R311E158-V162 WeakPolarHBondContact O-CG2 3.46Å; E158-V162 PolarHBondContact O-N 3.42Å; E158-V162 VanDerWaalsContact O-N 3.16Å; L159-V162 PolarHBondContact O-N 3.28Å; R160-V162 PolarHBondContact O-N 3.2Å; V162-P166 WeakPolarHBondContact O-CD 3.48Å; V162-P166 VanDerWaalsContact O-CG 3.28Å; V162-P166 WeakPolarHBondContact O-CG 3.44Å; V162-P181 HydrophobicContact CB-CG 4.26Å; V162-P181 HydrophobicContact CG1-CB 4.15Å; V162-P181 HydrophobicContact CG1-CG 3.81Å; V162-P181 HydrophobicContact CG2-CG 4.27Å; V162-C184 HydrophobicContact CG1-CB 4.16Å; V162-R311 HydrophobicContact CG2-CB 4Å; V162-R311 HydrophobicContact CG2-CG 3.58Å
163I87.6Confident87.2Confident2 Ų258.3 Ų58.31%0.0129%0.289CS..Iπ-helixtrans-112.5-52.8-170.1-57.1-174000111.8L159 P166 L167 V201 L205 I243 K288 I290L159-I163 HydrophobicContact CD1-CD1 3.41Å; L159-I163 VanDerWaalsContact CD1-CD1 3.41Å; L159-I163 HydrophobicContact CD1-CG1 4.02Å; L159-I163 HydrophobicContact CD2-CD1 4.38Å; L159-I163 HydrophobicContact CG-CD1 3.81Å; L159-I163 HydrophobicContact CG-CG1 4.35Å; L159-I163 WeakPolarHBondContact O-CB 3.45Å; L159-I163 PolarHBondContact O-N 2.97Å; I163-P166 WeakPolarHBondContact O-CD 3.5Å; I163-L167 HydrophobicContact CG2-CD1 4.02Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 WeakPolarHBondContact O-CD1 3.43Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.48Å; I163-L167 PolarHBondContact O-N 3.39Å; I163-V201 HydrophobicContact CB-CG1 4.26Å; I163-V201 HydrophobicContact CD1-CG1 4.45Å; I163-V201 HydrophobicContact CG2-CG1 3.92Å; I163-L205 HydrophobicContact CG2-CD1 3.87Å; I163-I243 HydrophobicContact CG2-CD1 3.69Å; I163-I243 HydrophobicContact CG2-CG1 4.27Å; I163-K288 HydrophobicContact CG2-CB 4.29Å; I163-K288 HydrophobicContact CG2-CG 4.39Å; I163-I290 HydrophobicContact CD1-CD1 3.31Å; I163-I290 HydrophobicContact CD1-CG1 3.34Å
164E86.9Confident87.1Confident32 Ų3261 Ų6115%0.1529%0.293CS..Iπ-helixtrans-70.4-43.2-176.4171173.8173.500111.3R160 L167 T168 L205R160-E164 HydrophobicContact CB-CB 4.39Å; R160-E164 VanDerWaalsContact CG-OE2 3.29Å; R160-E164 WeakPolarHBondContact CG-OE2 3.26Å; R160-E164 IonicContact CZ-OE1 3.98Å; R160-E164 IonicContact CZ-OE2 2.86Å; R160-E164 IonicContact NE-OE1 2.66Å; R160-E164 IonicContact NE-OE2 2.71Å; R160-E164 PolarHBondContact NE-OE2 3.15Å; R160-E164 IonicContact NH2-OE1 3.79Å; R160-E164 PolarHBondContact NH2-OE1 2.92Å; R160-E164 IonicContact NH2-OE2 2.89Å; R160-E164 PolarHBondContact NH2-OE2 3.24Å; R160-E164 WeakPolarHBondContact O-CA 3.37Å; R160-E164 WeakPolarHBondContact O-CB 3.48Å; R160-E164 PolarHBondContact O-N 3.17Å; E164-L167 PolarHBondContact O-N 3.11Å; E164-T168 HydrophobicContact CG-CG2 4.11Å; E164-T168 WeakPolarHBondContact O-CB 3.41Å; E164-T168 WeakPolarHBondContact O-CG2 3.5Å; E164-T168 PolarHBondContact O-N 3.01Å; E164-T168 PolarHBondContact O-OG1 3.4Å; E164-L205 HydrophobicContact CB-CD1 4.26Å; E164-L205 HydrophobicContact CB-CD2 3.91Å; E164-L205 HydrophobicContact CG-CD2 3.78Å
165L86.1Confident87Confident64 Ų6464.7 Ų64.734%0.33530%0.302SS..Hα-helixtrans-62.9-45.9-177.2-166.972.5000113.2R160 E161 L167 T168 N169 L172 F173R160-L165 PolarHBondContact O-N 3.35Å; E161-L165 WeakPolarHBondContact O-CB 3.35Å; L165-L167 VanDerWaalsContact C-N 3.32Å; L165-L167 PolarHBondContact O-N 2.75Å; L165-T168 PolarHBondContact O-OG1 2.92Å; L165-N169 CarbonylContact O-C 3.57Å; L165-N169 PolarHBondContact O-N 2.86Å; L165-L172 HydrophobicContact CD1-CD1 4.25Å; L165-F173 HydrophobicContact CB-CE2 4.34Å; L165-F173 HydrophobicContact CB-CZ 4.36Å; L165-F173 HydrophobicContact CD2-CE2 4.05Å; L165-F173 HydrophobicContact CD2-CZ 3.8Å; L165-F173 HydrophobicContact CG-CE2 3.88Å; L165-F173 HydrophobicContact CG-CZ 4.06Å
166P84.8Confident86.9Confident11 Ų1167.9 Ų67.97%0.07132%0.324CS..Hα-helixtrans-68.3-28176.9-22.134.8000114.4V162 I163 F173 P180V162-P166 WeakPolarHBondContact O-CD 3.48Å; V162-P166 VanDerWaalsContact O-CG 3.28Å; V162-P166 WeakPolarHBondContact O-CG 3.44Å; I163-P166 WeakPolarHBondContact O-CD 3.5Å; P166-F173 HydrophobicContact CB-CE2 4.04Å; P166-F173 HydrophobicContact CB-CZ 4.35Å; P166-F173 HydrophobicContact CG-CE1 4.46Å; P166-F173 HydrophobicContact CG-CE2 3.82Å; P166-F173 HydrophobicContact CG-CZ 3.67Å; P166-P180 HydrophobicContact CB-CB 3.98Å; P166-P180 HydrophobicContact CG-CB 4.05Å
167L83.5Confident86.6Confident23 Ų2370.1 Ų70.112%0.1235%0.352CS..Hα-helixtrans-80.5-38.7-179.4-71.9173.6000112.1I163 E164 L165 L205 P241 R286 K288I163-L167 HydrophobicContact CG2-CD1 4.02Å; I163-L167 WeakPolarHBondContact O-CB 3.49Å; I163-L167 WeakPolarHBondContact O-CD1 3.43Å; I163-L167 VanDerWaalsContact O-CG 3.27Å; I163-L167 WeakPolarHBondContact O-CG 3.48Å; I163-L167 PolarHBondContact O-N 3.39Å; E164-L167 PolarHBondContact O-N 3.11Å; L165-L167 VanDerWaalsContact C-N 3.32Å; L165-L167 PolarHBondContact O-N 2.75Å; L167-L205 HydrophobicContact CD1-CD1 4Å; L167-P241 HydrophobicContact CD2-CB 4.14Å; L167-R286 HydrophobicContact CD2-CB 3.88Å; L167-R286 HydrophobicContact CD2-CG 4.5Å; L167-K288 HydrophobicContact CD1-CG 4.27Å; L167-K288 HydrophobicContact CD2-CG 4.46Å; L167-K288 HydrophobicContact CG-CG 4.32Å
168T84.8Confident86.4Confident71 Ų7167.7 Ų67.744%0.43635%0.348SS..Hα-helixtrans-78.8-48.5179.752.20000112.1E164 L165 P170 L205E164-T168 HydrophobicContact CG-CG2 4.11Å; E164-T168 WeakPolarHBondContact O-CB 3.41Å; E164-T168 WeakPolarHBondContact O-CG2 3.5Å; E164-T168 PolarHBondContact O-N 3.01Å; E164-T168 PolarHBondContact O-OG1 3.4Å; L165-T168 PolarHBondContact O-OG1 2.92Å; T168-P170 WeakPolarHBondContact O-CD 3.44Å; T168-L205 HydrophobicContact CG2-CD2 4.37Å
169N84.4Confident85.9Confident86 Ų8669.8 Ų69.846%0.4636%0.361SS..  trans-130.969.2-170.5-69.5-31.6000112.7L165 E171 L172L165-N169 CarbonylContact O-C 3.57Å; L165-N169 PolarHBondContact O-N 2.86Å; N169-E171 PolarHBondContact O-N 2.84Å; N169-L172 HydrophobicContact CB-CD1 3.73Å; N169-L172 HydrophobicContact CB-CG 4.13Å; N169-L172 PolarHBondContact O-N 3.09Å
170P82.2Confident85.6Confident51 Ų5170.9 Ų70.933%0.33137%0.368SS..Hα-helixtrans-64-24.7-18026.2-34.9000113.5T168 L172 F173 Q174T168-P170 WeakPolarHBondContact O-CD 3.44Å; P170-L172 VanDerWaalsContact C-N 3.26Å; P170-L172 PolarHBondContact O-N 3.37Å; P170-F173 PolarHBondContact O-N 3.47Å; P170-Q174 PolarHBondContact O-N 3.47Å
171E85.5Confident85.3Confident113 Ų11367.1 Ų67.153%0.52836%0.357SS..Hα-helixtrans-62.2-31.3178.7-65.5-169.6-17400113.3N169 F173 Q174 R175N169-E171 PolarHBondContact O-N 2.84Å; E171-F173 VanDerWaalsContact C-N 3.29Å; E171-F173 PolarHBondContact O-N 3.19Å; E171-Q174 PolarHBondContact O-N 3.34Å; E171-R175 WeakPolarHBondContact O-CG 3.35Å; E171-R175 PolarHBondContact O-N 3.12Å; E171-R175 IonicContact OE2-CZ 3.31Å; E171-R175 IonicContact OE2-NE 2.81Å; E171-R175 IonicContact OE2-NH2 3.63Å; E171-R175 PolarHBondContact OE2-NH2 3.46Å
172L86.2Confident85Confident81 Ų8165.2 Ų65.242%0.42435%0.347SS..Hα-helixtrans-61.7-41.8179.2-69.5173.3000110.8L165 N169 P170 R175 V176L165-L172 HydrophobicContact CD1-CD1 4.25Å; N169-L172 HydrophobicContact CB-CD1 3.73Å; N169-L172 HydrophobicContact CB-CG 4.13Å; N169-L172 PolarHBondContact O-N 3.09Å; P170-L172 VanDerWaalsContact C-N 3.26Å; P170-L172 PolarHBondContact O-N 3.37Å; L172-R175 PolarHBondContact O-N 2.92Å; L172-V176 VanDerWaalsContact O-CG2 3.29Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.34Å; L172-V176 VanDerWaalsContact O-N 3.07Å
173F84.8Confident84.9Confident20 Ų2064.9 Ų64.99%0.08835%0.346CS..Hα-helixtrans-66.6-38.9177-66.9-90.3000111.7L165 P166 P170 E171 G177 I178 P180L165-F173 HydrophobicContact CB-CE2 4.34Å; L165-F173 HydrophobicContact CB-CZ 4.36Å; L165-F173 HydrophobicContact CD2-CE2 4.05Å; L165-F173 HydrophobicContact CD2-CZ 3.8Å; L165-F173 HydrophobicContact CG-CE2 3.88Å; L165-F173 HydrophobicContact CG-CZ 4.06Å; P166-F173 HydrophobicContact CB-CE2 4.04Å; P166-F173 HydrophobicContact CB-CZ 4.35Å; P166-F173 HydrophobicContact CG-CE1 4.46Å; P166-F173 HydrophobicContact CG-CE2 3.82Å; P166-F173 HydrophobicContact CG-CZ 3.67Å; P170-F173 PolarHBondContact O-N 3.47Å; E171-F173 VanDerWaalsContact C-N 3.29Å; E171-F173 PolarHBondContact O-N 3.19Å; F173-G177 PolarHBondContact O-N 2.99Å; F173-I178 HydrophobicContact CB-CG1 4.46Å; F173-I178 HydrophobicContact CD1-CD1 3.69Å; F173-I178 HydrophobicContact CD1-CG1 3.85Å; F173-I178 HydrophobicContact CE1-CD1 4.04Å; F173-I178 PolarHBondContact O-N 3.25Å; F173-I178 VanDerWaalsContact O-N 3.13Å; F173-P180 HydrophobicContact CD1-CB 3.89Å; F173-P180 HydrophobicContact CE1-CB 4.07Å; F173-P180 HydrophobicContact CG-CB 4.22Å
174Q84.9Confident85.1Confident138 Ų13864.8 Ų64.865%0.64535%0.345SS*.Hα-helixtrans-66.4-41.2176.3-67.7-178.2-100112.4P170 E171 G177P170-Q174 PolarHBondContact O-N 3.47Å; E171-Q174 PolarHBondContact O-N 3.34Å; Q174-G177 PolarHBondContact O-N 2.95Å
175R88Confident85.4Confident188 Ų18863.4 Ų63.471%0.70934%0.339SS*.Hα-helixtrans-66.4-38.9177.9-70.7177.4-164.2-169.57.8112.4E171 L172 G177E171-R175 WeakPolarHBondContact O-CG 3.35Å; E171-R175 PolarHBondContact O-N 3.12Å; E171-R175 IonicContact OE2-CZ 3.31Å; E171-R175 IonicContact OE2-NE 2.81Å; E171-R175 IonicContact OE2-NH2 3.63Å; E171-R175 PolarHBondContact OE2-NH2 3.46Å; L172-R175 PolarHBondContact O-N 2.92Å; R175-G177 VanDerWaalsContact C-N 3.32Å
176V89.4Confident85.7Confident104 Ų10460.4 Ų60.463%0.6332%0.323SS*.Hα-helixtrans-78.7-20.4177.7178.80000111.4L172 I178L172-V176 VanDerWaalsContact O-CG2 3.29Å; L172-V176 WeakPolarHBondContact O-CG2 3.23Å; L172-V176 PolarHBondContact O-N 3.34Å; L172-V176 VanDerWaalsContact O-N 3.07Å; V176-I178 HydrophobicContact CB-CG1 4.03Å; V176-I178 HydrophobicContact CG1-CB 4.49Å; V176-I178 HydrophobicContact CG1-CD1 4.12Å; V176-I178 HydrophobicContact CG1-CG1 3.85Å; V176-I178 HydrophobicContact CG1-CG2 3.96Å
177G84.3Confident86.1Confident66 Ų6662.8 Ų62.868%0.6833%0.331SS*.THydrogen-bonded Turntrans7723.7179.700000113.7F173 Q174 R175F173-G177 PolarHBondContact O-N 2.99Å; Q174-G177 PolarHBondContact O-N 2.95Å; R175-G177 VanDerWaalsContact C-N 3.32Å
178I85.6Confident86.5Confident94 Ų9462 Ų6248%0.48233%0.329SS..PPolyproline II helixtrans-103.7144.2179.752.8164.5000111.2F173 V176F173-I178 HydrophobicContact CB-CG1 4.46Å; F173-I178 HydrophobicContact CD1-CD1 3.69Å; F173-I178 HydrophobicContact CD1-CG1 3.85Å; F173-I178 HydrophobicContact CE1-CD1 4.04Å; F173-I178 PolarHBondContact O-N 3.25Å; F173-I178 VanDerWaalsContact O-N 3.13Å; V176-I178 HydrophobicContact CB-CG1 4.03Å; V176-I178 HydrophobicContact CG1-CB 4.49Å; V176-I178 HydrophobicContact CG1-CD1 4.12Å; V176-I178 HydrophobicContact CG1-CG1 3.85Å; V176-I178 HydrophobicContact CG1-CG2 3.96Å
179I80.9Confident86.6Confident126 Ų12660.7 Ų60.765%0.64632%0.321SS*.PPolyproline II helixtrans-78.9126174.2-61.7170000108T283I179-T283 HydrophobicContact CG2-CG2 3.41Å; I179-T283 VanDerWaalsContact CG2-CG2 3.41Å
180P82.9Confident86.7Confident23 Ų2360.5 Ų60.515%0.14932%0.324CS..PPolyproline II helixtrans-65.6146.2177.128.1-34.4000110.3P166 F173P166-P180 HydrophobicContact CB-CB 3.98Å; P166-P180 HydrophobicContact CG-CB 4.05Å; F173-P180 HydrophobicContact CD1-CB 3.89Å; F173-P180 HydrophobicContact CE1-CB 4.07Å; F173-P180 HydrophobicContact CG-CB 4.22Å
181P83.7Confident86.8Confident21 Ų2159.6 Ų59.614%0.13632%0.324CS..PPolyproline II helixtrans-60140.4177.425.9-34.3000110.9V162 K288 D310V162-P181 HydrophobicContact CB-CG 4.26Å; V162-P181 HydrophobicContact CG1-CB 4.15Å; V162-P181 HydrophobicContact CG1-CG 3.81Å; V162-P181 HydrophobicContact CG2-CG 4.27Å; P181-K288 PolarHBondContact O-NZ 3.2Å; P181-D310 WeakPolarHBondContact CA-OD2 3.46Å; P181-D310 HydrophobicContact CB-CB 3.95Å
182K81.3Confident86.8Confident47 Ų4754.8 Ų54.820%0.20430%0.303CS..  trans-83.5-40.9-177.1-63.4-160.1-166.7-175.60112.6F281 G307 D310K182-F281 HydrophobicContact CD-CB 4.35Å; K182-F281 PolarHBondContact NZ-O 2.88Å; K182-G307 WeakPolarHBondContact CD-O 3.16Å; K182-D310 PolarHBondContact N-OD2 3.08Å
183G85.9Confident86.8Confident2 Ų252 Ų522%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-148.9159.5-174.800000114.3M289 R308 D310 R311G183-M289 CarbonylContact C-O 3.56Å; G183-M289 WeakPolarHBondContact CA-O 3.33Å; G183-R308 PolarHBondContact N-O 2.83Å; G183-D310 PolarHBondContact O-N 3.08Å; G183-R311 PolarHBondContact O-N 3.49Å
184C91Very high87Confident0 Ų051.4 Ų51.40%029%0.291CS..EExtended strand (participates in β ladder)trans-122137.5177.7-172.40000110.6L159 V162 M289 I290 M291 R311 I313L159-C184 HydrophobicContact CD1-CB 3.93Å; V162-C184 HydrophobicContact CG1-CB 4.16Å; C184-M289 PolarHBondContact N-O 2.99Å; C184-I290 CarbonylContact O-C 3.53Å; C184-I290 WeakPolarHBondContact O-CA 3.48Å; C184-M291 PolarHBondContact O-N 2.79Å; C184-R311 CarbonylContact C-O 3.51Å; C184-R311 WeakPolarHBondContact CA-O 3.43Å; C184-I313 WeakPolarHBondContact SG-CD1 3.38Å
185L92.7Very high87.2Confident3 Ų347 Ų472%0.01627%0.273CS..EExtended strand (participates in β ladder)trans-107.9119.8171.4-178.566.1000109.8I249 M291 T293 L299 L304 L309 R311 K312 I313L185-I249 HydrophobicContact CD1-CG2 4.41Å; L185-M291 CarbonylContact C-O 3.53Å; L185-M291 WeakPolarHBondContact CA-O 3.32Å; L185-M291 HydrophobicContact CD1-CB 3.83Å; L185-T293 HydrophobicContact CD1-CG2 4.13Å; L185-L299 HydrophobicContact CD1-CD1 4.3Å; L185-L299 HydrophobicContact CD2-CD1 4.01Å; L185-L304 HydrophobicContact CD2-CD2 3.65Å; L185-L309 HydrophobicContact CB-CD1 4.17Å; L185-L309 HydrophobicContact CB-CD2 4.37Å; L185-L309 HydrophobicContact CD1-CD1 4.3Å; L185-L309 HydrophobicContact CD2-CD1 4.3Å; L185-L309 HydrophobicContact CG-CD1 4.49Å; L185-R311 PolarHBondContact N-O 3.18Å; L185-K312 HydrophobicContact CB-CG 4.49Å; L185-K312 CarbonylContact O-C 3.6Å; L185-K312 WeakPolarHBondContact O-CA 3.46Å; L185-I313 PolarHBondContact O-N 3.34Å
186L93.8Very high87.2Confident0 Ų042.2 Ų42.20%026%0.262CS..EExtended strand (participates in β ladder)trans-95123.3170.8-54.4-178.1000108.6K194 L197 I290 M291 A292 T293 I313 I315L186-K194 HydrophobicContact CB-CB 4.41Å; L186-K194 HydrophobicContact CB-CD 4.45Å; L186-K194 HydrophobicContact CD1-CB 4.39Å; L186-L197 HydrophobicContact CD1-CD2 4Å; L186-L197 HydrophobicContact CD2-CD2 4.35Å; L186-I290 HydrophobicContact CD1-CG2 3.76Å; L186-I290 HydrophobicContact CG-CG2 3.96Å; L186-M291 PolarHBondContact N-O 2.9Å; L186-A292 HydrophobicContact CB-CB 4.39Å; L186-A292 CarbonylContact O-C 3.58Å; L186-A292 VanDerWaalsContact O-CA 3.32Å; L186-A292 WeakPolarHBondContact O-CA 3.22Å; L186-T293 PolarHBondContact O-N 2.81Å; L186-I313 HydrophobicContact CD2-CB 3.88Å; L186-I313 HydrophobicContact CD2-CD1 4.07Å; L186-I313 HydrophobicContact CD2-CG1 4.35Å; L186-I313 HydrophobicContact CD2-CG2 4.38Å; L186-I315 HydrophobicContact CB-CD1 4.2Å; L186-I315 HydrophobicContact CD2-CD1 4.39Å
187Y92.7Very high87.3Confident62 Ų6237.3 Ų37.324%0.24323%0.232CC..EExtended strand (participates in β ladder)trans-136.5163.1178.569.4-81.1000113K194 T293 P296 K312 I313 H314 I315Y187-K194 PolarHBondContact O-NZ 2.68Å; Y187-K194 VanDerWaalsContact O-NZ 3.12Å; Y187-T293 WeakPolarHBondContact CA-O 3.48Å; Y187-P296 HydrophobicContact CD2-CB 3.97Å; Y187-P296 HydrophobicContact CD2-CG 3.86Å; Y187-P296 HydrophobicContact CG-CB 4.24Å; Y187-K312 HydrophobicContact CD1-CB 4.49Å; Y187-K312 HydrophobicContact CE1-CB 3.86Å; Y187-I313 VanDerWaalsContact CD1-O 3.32Å; Y187-I313 WeakPolarHBondContact CD1-O 3.37Å; Y187-I313 PolarHBondContact N-O 3.45Å; Y187-I313 VanDerWaalsContact N-O 3.07Å; Y187-H314 AromaticContact CD2-CD2 3.37Å; Y187-H314 WeakPolarHBondContact CD2-CD2 3.37Å; Y187-H314 HydrophobicContact CE1-CB 4.12Å; Y187-H314 HydrophobicContact CE2-CB 3.96Å; Y187-H314 AromaticContact CE2-CD2 3.06Å; Y187-H314 WeakPolarHBondContact CE2-CD2 3.47Å; Y187-H314 AromaticContact CE2-CG 3.72Å; Y187-H314 AromaticContact CE2-NE2 3.86Å; Y187-H314 AromaticContact CZ-CD2 3.73Å; Y187-H314 AromaticContact CZ-CG 3.93Å; Y187-I315 PolarHBondContact O-N 2.74Å
188G90.8Very high87.4Confident7 Ų734.2 Ų34.27%0.07220%0.199CC..SBendtrans133.3-173.4-179.900000112.3K194 N294G188-K194 VanDerWaalsContact N-NZ 3.15Å; G188-K194 WeakPolarHBondContact O-CE 3.45Å; G188-K194 PolarHBondContact O-NZ 3.38Å; G188-K194 VanDerWaalsContact O-NZ 3.09Å; G188-N294 WeakPolarHBondContact O-CA 3.35Å
189P87.6Confident87.5Confident43 Ų4332.7 Ų32.728%0.27919%0.188SC..SBendtrans-64.1153.6-175.322.2-30.4000113.4T192 K194 I315 L317P189-T192 HydrophobicContact CG-CG2 3.83Å; P189-T192 WeakPolarHBondContact O-CG2 3.38Å; P189-T192 PolarHBondContact O-OG1 3.14Å; P189-K194 PolarHBondContact O-NZ 3.35Å; P189-I315 WeakPolarHBondContact CD-O 3.32Å; P189-L317 HydrophobicContact CG-CD2 3.99Å; P189-L317 HydrophobicContact CG-CG 4.1Å
190P86.9Confident87.9Confident81 Ų8126.8 Ų26.853%0.52616%0.157SC..THydrogen-bonded Turntrans-65156.3175.429.2-35.3000111.2T192P190-T192 VanDerWaalsContact C-N 3.27Å; P190-T192 PolarHBondContact O-N 3.38Å
191G84.1Confident88.1Confident32 Ų3225.7 Ų25.733%0.3315%0.151SC..THydrogen-bonded Turntrans76.49.8178.900000115G354 A355G191-G354 WeakPolarHBondContact O-CA 3.33Å; G191-G354 PolarHBondContact O-N 3.02Å; G191-G354 VanDerWaalsContact O-N 3.07Å; G191-A355 PolarHBondContact O-N 3.46Å
192T85Confident88.2Confident12 Ų1224.8 Ų24.87%0.07414%0.144CC..SBendtrans-89.92.8175.251.50000114.2P189 P190 K194 I315P189-T192 HydrophobicContact CG-CG2 3.83Å; P189-T192 WeakPolarHBondContact O-CG2 3.38Å; P189-T192 PolarHBondContact O-OG1 3.14Å; P190-T192 VanDerWaalsContact C-N 3.27Å; P190-T192 PolarHBondContact O-N 3.38Å; T192-K194 PolarHBondContact OG1-NZ 3.35Å; T192-I315 HydrophobicContact CG2-CG2 4.36Å
193G85.6Confident88.4Confident22 Ų2223.7 Ų23.723%0.22714%0.143CC..  trans83.723.7173.800000115.6T195 L196 L197G193-T195 VanDerWaalsContact C-N 3.32Å; G193-T195 PolarHBondContact O-N 2.97Å; G193-L196 WeakPolarHBondContact O-CB 3.28Å; G193-L196 PolarHBondContact O-N 3.25Å; G193-L197 WeakPolarHBondContact O-CB 3.33Å; G193-L197 PolarHBondContact O-N 3.49Å
194K90.6Very high88.4Confident9 Ų927.8 Ų27.84%0.03916%0.162CC..Hα-helixtrans-53.5-47.7177.1-43.6-169-166.3-57.70112.4L186 Y187 G188 P189 T192 L197 A198 A292 T293 I315L186-K194 HydrophobicContact CB-CB 4.41Å; L186-K194 HydrophobicContact CB-CD 4.45Å; L186-K194 HydrophobicContact CD1-CB 4.39Å; Y187-K194 PolarHBondContact O-NZ 2.68Å; Y187-K194 VanDerWaalsContact O-NZ 3.12Å; G188-K194 VanDerWaalsContact N-NZ 3.15Å; G188-K194 WeakPolarHBondContact O-CE 3.45Å; G188-K194 PolarHBondContact O-NZ 3.38Å; G188-K194 VanDerWaalsContact O-NZ 3.09Å; P189-K194 PolarHBondContact O-NZ 3.35Å; T192-K194 PolarHBondContact OG1-NZ 3.35Å; K194-L197 PolarHBondContact O-N 3.25Å; K194-A198 PolarHBondContact O-N 3.04Å; K194-A198 VanDerWaalsContact O-N 3.13Å; K194-A292 HydrophobicContact CB-CB 4.27Å; K194-A292 HydrophobicContact CD-CB 4.45Å; K194-T293 WeakPolarHBondContact CE-O 3.44Å; K194-I315 HydrophobicContact CB-CD1 4.2Å; K194-I315 HydrophobicContact CG-CD1 3.84Å
195T88.8Confident87.9Confident45 Ų4529.4 Ų29.428%0.27617%0.17SC..Hα-helixtrans-65.3-37.5177-41.60000111.9G193 R199 F245 D247G193-T195 VanDerWaalsContact C-N 3.32Å; G193-T195 PolarHBondContact O-N 2.97Å; T195-R199 WeakPolarHBondContact O-CG 3.45Å; T195-R199 PolarHBondContact O-N 3.3Å; T195-R199 VanDerWaalsContact O-N 3.12Å; T195-F245 HydrophobicContact CG2-CE1 3.82Å; T195-F245 HydrophobicContact CG2-CZ 4.19Å; T195-D247 PolarHBondContact OG1-OD2 2.87Å
196L88.6Confident87.4Confident88 Ų8836.8 Ų36.846%0.46121%0.209SC..Hα-helixtrans-66.3-42.4176.9-70174.1000111.4G193 R199 A200G193-L196 WeakPolarHBondContact O-CB 3.28Å; G193-L196 PolarHBondContact O-N 3.25Å; L196-R199 PolarHBondContact O-N 3.24Å; L196-A200 PolarHBondContact O-N 3.09Å
197L89.6Confident86.9Confident1 Ų137.3 Ų37.31%0.00521%0.213CC..Hα-helixtrans-63.4-43179.3-174144.6000111.1I149 L152 Q155 I156 L159 L186 G193 K194 R199 A200 V201I149-L197 HydrophobicContact CD1-CB 4.38Å; L152-L197 HydrophobicContact CB-CD1 4.44Å; L152-L197 HydrophobicContact CD1-CD1 4.14Å; Q155-L197 HydrophobicContact CB-CD1 4.37Å; I156-L197 HydrophobicContact CG1-CD1 4.02Å; L159-L197 HydrophobicContact CB-CD2 4.45Å; L159-L197 HydrophobicContact CD2-CD2 3.13Å; L159-L197 HydrophobicContact CD2-CG 4.31Å; L159-L197 HydrophobicContact CG-CD2 4.33Å; L186-L197 HydrophobicContact CD1-CD2 4Å; L186-L197 HydrophobicContact CD2-CD2 4.35Å; G193-L197 WeakPolarHBondContact O-CB 3.33Å; G193-L197 PolarHBondContact O-N 3.49Å; K194-L197 PolarHBondContact O-N 3.25Å; L197-R199 PolarHBondContact O-N 3.38Å; L197-A200 PolarHBondContact O-N 2.82Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.41Å
198A88.3Confident86.6Confident0 Ų037.6 Ų37.60%022%0.219CC..Hα-helixtrans-63.2-40.3174.100000113.3K194 V201 A202 F245 I290K194-A198 PolarHBondContact O-N 3.04Å; K194-A198 VanDerWaalsContact O-N 3.13Å; A198-V201 PolarHBondContact O-N 3.38Å; A198-A202 PolarHBondContact O-N 3.15Å; A198-F245 HydrophobicContact CB-CD2 3.24Å; A198-F245 HydrophobicContact CB-CE2 3.33Å; A198-F245 HydrophobicContact CB-CG 3.91Å; A198-F245 HydrophobicContact CB-CZ 4.07Å; A198-I290 HydrophobicContact CB-CD1 4.11Å; A198-I290 HydrophobicContact CB-CG2 4.31Å
199R87.7Confident86.5Confident63 Ų6337.6 Ų37.624%0.23822%0.217CC..Hα-helixtrans-65.2-41.3176.5-74.3-178.1104.9167.29.9112.5D140 P141 T195 L196 L197 V201 A202 S203 F209D140-R199 PolarHBondContact O-NH2 3.05Å; P141-R199 PolarHBondContact O-NE 2.94Å; T195-R199 WeakPolarHBondContact O-CG 3.45Å; T195-R199 PolarHBondContact O-N 3.3Å; T195-R199 VanDerWaalsContact O-N 3.12Å; L196-R199 PolarHBondContact O-N 3.24Å; L197-R199 PolarHBondContact O-N 3.38Å; R199-V201 VanDerWaalsContact C-N 3.35Å; R199-V201 PolarHBondContact O-N 3.06Å; R199-A202 PolarHBondContact O-N 2.7Å; R199-S203 WeakPolarHBondContact O-CB 3.36Å; R199-S203 PolarHBondContact O-N 3.35Å; R199-F209 HydrophobicContact CG-CE1 4.04Å; R199-F209 HydrophobicContact CG-CZ 4.05Å
200A88.1Confident86.6Confident1 Ų135.6 Ų35.61%0.00820%0.204CC..Hα-helixtrans-62.7-40.5177.600000112.2V144 Y146 I149 L196 L197 A202 S203 Q204V144-A200 HydrophobicContact CB-CB 4.46Å; V144-A200 HydrophobicContact CG1-CB 4.14Å; Y146-A200 HydrophobicContact CD1-CB 4.12Å; Y146-A200 HydrophobicContact CE1-CB 4.15Å; I149-A200 HydrophobicContact CD1-CB 3.57Å; L196-A200 PolarHBondContact O-N 3.09Å; L197-A200 PolarHBondContact O-N 2.82Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A200-A202 PolarHBondContact O-N 3.07Å; A200-S203 PolarHBondContact O-N 2.98Å; A200-Q204 PolarHBondContact O-N 3.28Å; A200-Q204 VanDerWaalsContact O-N 3.07Å
201V87.9Confident86.7Confident1 Ų133.5 Ų33.51%0.00619%0.186CC..Hα-helixtrans-61.9-43.6174.7177.10000111.6Y146 L159 I163 L197 A198 R199 Q204 L205 I243Y146-V201 HydrophobicContact CE1-CG2 4Å; Y146-V201 WeakPolarHBondContact OH-CG2 3.42Å; L159-V201 HydrophobicContact CD2-CB 4.29Å; L159-V201 HydrophobicContact CD2-CG2 3.26Å; L159-V201 HydrophobicContact CG-CG2 3.95Å; I163-V201 HydrophobicContact CB-CG1 4.26Å; I163-V201 HydrophobicContact CD1-CG1 4.45Å; I163-V201 HydrophobicContact CG2-CG1 3.92Å; L197-V201 WeakPolarHBondContact O-CG2 3.38Å; L197-V201 PolarHBondContact O-N 3.41Å; A198-V201 PolarHBondContact O-N 3.38Å; R199-V201 VanDerWaalsContact C-N 3.35Å; R199-V201 PolarHBondContact O-N 3.06Å; V201-Q204 PolarHBondContact O-N 3.42Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 3.3Å; V201-I243 HydrophobicContact CG1-CD1 4.26Å
202A86.2Confident86.9Confident1 Ų132 Ų321%0.00817%0.171CC..Hα-helixtrans-67.1-40.1-179.800000112.7P141 A198 R199 A200 L205 D206 F209 I243P141-A202 HydrophobicContact CB-CB 4Å; A198-A202 PolarHBondContact O-N 3.15Å; R199-A202 PolarHBondContact O-N 2.7Å; A200-A202 VanDerWaalsContact C-N 3.34Å; A200-A202 PolarHBondContact O-N 3.07Å; A202-L205 PolarHBondContact O-N 3.02Å; A202-D206 PolarHBondContact O-N 2.97Å; A202-F209 HydrophobicContact CB-CB 3.94Å; A202-F209 HydrophobicContact CB-CD2 3.27Å; A202-F209 HydrophobicContact CB-CE2 3.86Å; A202-F209 HydrophobicContact CB-CG 3.73Å; A202-I243 HydrophobicContact CB-CD1 4.48Å
203S85.2Confident87.1Confident24 Ų2433.6 Ų33.617%0.16818%0.18CC..Hα-helixtrans-62.2-42.4176.7-170.20000111.9G142 R199 A200 L205G142-S203 VanDerWaalsContact O-CB 3.29Å; G142-S203 WeakPolarHBondContact O-CB 3.44Å; G142-S203 PolarHBondContact O-OG 2.89Å; R199-S203 WeakPolarHBondContact O-CB 3.36Å; R199-S203 PolarHBondContact O-N 3.35Å; A200-S203 PolarHBondContact O-N 2.98Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.13Å
204Q85.1Confident87.1Confident89 Ų8932.5 Ų32.542%0.41617%0.169SC..Hα-helixtrans-73.1-24.8-178.9-178.1158.3-32.900114Y146 A200 V201Y146-Q204 HydrophobicContact CE2-CB 4.43Å; Y146-Q204 HydrophobicContact CE2-CG 4.35Å; A200-Q204 PolarHBondContact O-N 3.28Å; A200-Q204 VanDerWaalsContact O-N 3.07Å; V201-Q204 PolarHBondContact O-N 3.42Å
205L81.7Confident86.8Confident33 Ų3335 Ų3517%0.17319%0.188CC..THydrogen-bonded Turntrans-91.5-2.4-176.9-73173.4000113.9I163 E164 L167 T168 V201 A202 S203 C207 I243I163-L205 HydrophobicContact CG2-CD1 3.87Å; E164-L205 HydrophobicContact CB-CD1 4.26Å; E164-L205 HydrophobicContact CB-CD2 3.91Å; E164-L205 HydrophobicContact CG-CD2 3.78Å; L167-L205 HydrophobicContact CD1-CD1 4Å; T168-L205 HydrophobicContact CG2-CD2 4.37Å; V201-L205 HydrophobicContact CG1-CD1 3.77Å; V201-L205 WeakPolarHBondContact O-CG 3.49Å; V201-L205 PolarHBondContact O-N 3.3Å; A202-L205 PolarHBondContact O-N 3.02Å; S203-L205 VanDerWaalsContact C-N 3.34Å; S203-L205 PolarHBondContact O-N 3.13Å; L205-C207 HydrophobicContact CB-CB 4.33Å; L205-C207 PolarHBondContact O-N 2.92Å; L205-C207 VanDerWaalsContact O-N 3.1Å; L205-I243 HydrophobicContact CD1-CD1 3.97Å
206D81.1Confident86.5Confident158 Ų15836 Ų3685%0.84520%0.197SC*.THydrogen-bonded Turntrans43.743.2-175.4-73.1-35.2000112.3A202A202-D206 PolarHBondContact O-N 2.97Å
207C82.6Confident86.2Confident12 Ų1231.9 Ų31.98%0.08118%0.175CC..  trans-112.8158-17670.70000111.5L205 F209 P241 I243L205-C207 HydrophobicContact CB-CB 4.33Å; L205-C207 PolarHBondContact O-N 2.92Å; L205-C207 VanDerWaalsContact O-N 3.1Å; C207-F209 PolarHBondContact O-N 3.32Å; C207-F209 VanDerWaalsContact O-N 3.16Å; C207-P241 HydrophobicContact CB-CB 4.41Å; C207-P241 HydrophobicContact CB-CG 4.26Å; C207-I243 WeakPolarHBondContact SG-CD1 3.44Å; C207-I243 VanDerWaalsContact SG-CG1 3.58Å
208N86.3Confident85.7Confident68 Ų6834.4 Ų34.436%0.36419%0.19SC..EExtended strand (participates in β ladder)trans-64.1120.6177.7-90.918.2000110.5H239 P241 C242 I243N208-H239 VanDerWaalsContact ND2-CB 3.35Å; N208-H239 WeakPolarHBondContact ND2-CB 3.42Å; N208-P241 PolarHBondContact N-O 3.43Å; N208-P241 VanDerWaalsContact N-O 3.17Å; N208-C242 HydrophobicContact CB-CB 4.15Å; N208-C242 CarbonylContact O-C 3.59Å; N208-C242 VanDerWaalsContact O-CA 3.26Å; N208-C242 WeakPolarHBondContact O-CA 3.45Å; N208-C242 PolarHBondContact O-SG 3.41Å; N208-I243 PolarHBondContact O-N 2.93Å
209F88.9Confident85.1Confident7 Ų737.4 Ų37.43%0.03121%0.207CC..EExtended strand (participates in β ladder)trans-102.2118179.7-174.3-115.7000110.1P141 R199 A202 C207 K211 I243 F245P141-F209 HydrophobicContact CB-CB 4.2Å; P141-F209 HydrophobicContact CB-CD1 4.04Å; P141-F209 HydrophobicContact CB-CG 4.18Å; P141-F209 HydrophobicContact CG-CB 4.25Å; R199-F209 HydrophobicContact CG-CE1 4.04Å; R199-F209 HydrophobicContact CG-CZ 4.05Å; A202-F209 HydrophobicContact CB-CB 3.94Å; A202-F209 HydrophobicContact CB-CD2 3.27Å; A202-F209 HydrophobicContact CB-CE2 3.86Å; A202-F209 HydrophobicContact CB-CG 3.73Å; C207-F209 PolarHBondContact O-N 3.32Å; C207-F209 VanDerWaalsContact O-N 3.16Å; F209-K211 HydrophobicContact CD1-CB 4.21Å; F209-K211 HydrophobicContact CE1-CB 3.68Å; F209-K211 HydrophobicContact CE1-CD 4.33Å; F209-K211 HydrophobicContact CE1-CG 4.46Å; F209-K211 HydrophobicContact CZ-CB 4.29Å; F209-I243 HydrophobicContact CD2-CB 4.43Å; F209-I243 HydrophobicContact CD2-CG2 4.37Å; F209-F245 HydrophobicContact CD2-CB 4.49Å; F209-F245 HydrophobicContact CE2-CB 3.47Å; F209-F245 VanDerWaalsContact CE2-CB 3.47Å; F209-F245 HydrophobicContact CE2-CG 4.22Å; F209-F245 HydrophobicContact CZ-CB 3.57Å; F209-F245 HydrophobicContact CZ-CD1 4.07Å; F209-F245 AromaticContact CZ-CG 3.97Å; F209-F245 HydrophobicContact CZ-CG 3.97Å
210L89.5Confident84.4Confident0 Ų044.1 Ų44.10%024%0.238CC..EExtended strand (participates in β ladder)trans-104.5103173.8-73167.9000108.6Y235 A236 C242 I243 I244 F245L210-Y235 HydrophobicContact CD1-CD1 4Å; L210-Y235 HydrophobicContact CD2-CD1 3.83Å; L210-Y235 HydrophobicContact CD2-CE1 3.88Å; L210-Y235 HydrophobicContact CG-CD1 4.44Å; L210-A236 HydrophobicContact CD1-CB 3.69Å; L210-C242 WeakPolarHBondContact CD1-SG 3.18Å; L210-I243 PolarHBondContact N-O 3.39Å; L210-I244 HydrophobicContact CB-CG1 4.38Å; L210-I244 HydrophobicContact CD1-CG1 4.05Å; L210-F245 PolarHBondContact O-N 3.39Å
211K89.8Confident83.9Confident37 Ų3752.3 Ų52.316%0.16127%0.269CS..EExtended strand (participates in β ladder)trans-91.1124.4174.5176.4167.5159.4-137.70110.1M136 E139 F209 F245M136-K211 PolarHBondContact O-N 3.49Å; E139-K211 IonicContact OE1-NZ 3.41Å; E139-K211 PolarHBondContact OE1-NZ 3.4Å; E139-K211 WeakPolarHBondContact OE2-CD 3.45Å; E139-K211 IonicContact OE2-NZ 2.67Å; E139-K211 PolarHBondContact OE2-NZ 3.15Å; F209-K211 HydrophobicContact CD1-CB 4.21Å; F209-K211 HydrophobicContact CE1-CB 3.68Å; F209-K211 HydrophobicContact CE1-CD 4.33Å; F209-K211 HydrophobicContact CE1-CG 4.46Å; F209-K211 HydrophobicContact CZ-CB 4.29Å; K211-F245 HydrophobicContact CG-CD1 4.2Å
212V88.5Confident83.5Confident2 Ų258.8 Ų58.81%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-131.8128.2178.2-167.50000109.4M136 I217 M232 F245 M246 D247M136-V212 HydrophobicContact CE-CG1 4.17Å; M136-V212 HydrophobicContact CG-CG2 4.4Å; M136-V212 HydrophobicContact SD-CB 4.36Å; M136-V212 HydrophobicContact SD-CG1 4Å; M136-V212 HydrophobicContact SD-CG2 3.66Å; V212-I217 HydrophobicContact CG1-CD1 3.44Å; V212-I217 VanDerWaalsContact CG1-CD1 3.44Å; V212-I217 HydrophobicContact CG1-CG1 3.54Å; V212-M232 HydrophobicContact CB-SD 4.47Å; V212-M232 HydrophobicContact CG2-SD 3.63Å; V212-F245 PolarHBondContact N-O 3.14Å; V212-M246 CarbonylContact O-C 3.6Å; V212-M246 VanDerWaalsContact O-CA 3.3Å; V212-M246 WeakPolarHBondContact O-CA 3.48Å; V212-D247 PolarHBondContact O-N 3.14Å
213V88.8Confident83.4Confident44 Ų4460 Ų6027%0.26732%0.315SS..EExtended strand (participates in β ladder)trans-91.4123.6170.9-169.90000107.3S215 S216V213-S215 VanDerWaalsContact CG1-OG 3.22Å; V213-S215 WeakPolarHBondContact CG1-OG 3.39Å; V213-S215 PolarHBondContact O-N 2.91Å; V213-S216 PolarHBondContact O-N 2.94Å; V213-S216 PolarHBondContact O-OG 3.45Å
214S85.8Confident83.4Confident0 Ų061.9 Ų61.90%032%0.321CS..G310 helixtrans-64-27.9-172.3-550000112.6S216 I217 D247 E248 I249 I252S214-S216 VanDerWaalsContact C-N 3.32Å; S214-S216 PolarHBondContact O-N 2.78Å; S214-I217 PolarHBondContact O-N 2.98Å; S214-D247 VanDerWaalsContact CB-O 3.32Å; S214-D247 WeakPolarHBondContact CB-O 3.38Å; S214-D247 PolarHBondContact N-O 3.31Å; S214-D247 PolarHBondContact OG-O 3.02Å; S214-E248 VanDerWaalsContact CB-O 3.28Å; S214-E248 WeakPolarHBondContact CB-O 3.22Å; S214-I249 WeakPolarHBondContact OG-CA 3.42Å; S214-I252 WeakPolarHBondContact O-CG2 3.45Å
215S83.9Confident83.5Confident60 Ų6057.7 Ų57.742%0.4230%0.301SS..G310 helixtrans-66.6-28.3173.655.90000113.4V213 I217 E248V213-S215 VanDerWaalsContact CG1-OG 3.22Å; V213-S215 WeakPolarHBondContact CG1-OG 3.39Å; V213-S215 PolarHBondContact O-N 2.91Å; S215-I217 VanDerWaalsContact C-N 3.33Å; S215-E248 PolarHBondContact OG-OE2 2.83Å
216S82.6Confident83.8Confident67 Ų6756.5 Ų56.547%0.46930%0.296SS..G310 helixtrans-79.6-13.5177.467.90000113.9V213 S214V213-S216 PolarHBondContact O-N 2.94Å; V213-S216 PolarHBondContact O-OG 3.45Å; S214-S216 VanDerWaalsContact C-N 3.32Å; S214-S216 PolarHBondContact O-N 2.78Å
217I82.5Confident84.1Confident1 Ų153 Ų531%0.00527%0.271CS..G310 helixtrans-79.2-23.8178.5-56.2174.3000111V212 S214 S215 D219 S225 L228 I229 M246V212-I217 HydrophobicContact CG1-CD1 3.44Å; V212-I217 VanDerWaalsContact CG1-CD1 3.44Å; V212-I217 HydrophobicContact CG1-CG1 3.54Å; S214-I217 PolarHBondContact O-N 2.98Å; S215-I217 VanDerWaalsContact C-N 3.33Å; I217-D219 PolarHBondContact O-N 2.95Å; I217-D219 VanDerWaalsContact O-N 3.1Å; I217-S225 VanDerWaalsContact O-CB 3.27Å; I217-S225 WeakPolarHBondContact O-CB 3.37Å; I217-S225 PolarHBondContact O-OG 3.22Å; I217-L228 HydrophobicContact CG2-CD2 4.34Å; I217-I229 HydrophobicContact CG2-CD1 4.23Å; I217-I229 HydrophobicContact CG2-CG1 4.07Å; I217-M246 HydrophobicContact CD1-CE 3.62Å
218V78.9Confident84.4Confident54 Ų5452.8 Ų52.833%0.32727%0.27SS..  trans-80.198-172.9-175.80000110.3I252 I267V218-I252 HydrophobicContact CG2-CG2 3.56Å; V218-I267 HydrophobicContact CG1-CD1 4.18Å; V218-I267 HydrophobicContact CG1-CG1 3.81Å; V218-I267 HydrophobicContact CG2-CG1 4.22Å
219D76.6Confident84.6Confident64 Ų6449.6 Ų49.634%0.34225%0.253SS..  trans-91.7158.5175-102.6-45.4000113.8I217 Y221 S225I217-D219 PolarHBondContact O-N 2.95Å; I217-D219 VanDerWaalsContact O-N 3.1Å; D219-Y221 PolarHBondContact O-N 2.99Å; D219-S225 PolarHBondContact N-OG 3.49Å; D219-S225 VanDerWaalsContact N-OG 3.08Å
220K72Confident84.5Confident204 Ų20454.6 Ų54.689%0.88727%0.271SS*.SBendtrans-72.7-19.1173.6-65.9-179.7-178.1176.40112.8
221Y78.6Confident84.4Confident173 Ų17356.3 Ų56.368%0.67828%0.279SS*.SBendtrans-88.8125.7-176.4-65.3-80.1000110.8D219 G223 E224D219-Y221 PolarHBondContact O-N 2.99Å; Y221-G223 PolarHBondContact O-N 3.36Å; Y221-E224 PolarHBondContact O-N 3.19Å
222I80.1Confident84.3Confident137 Ų13754.8 Ų54.870%0.70327%0.273SS*.THydrogen-bonded Turntrans-65.2124.7-176.8-57.6175.1000109.9E224 E266I222-E224 VanDerWaalsContact C-N 3.32Å; I222-E224 PolarHBondContact O-N 3.47Å; I222-E266 WeakPolarHBondContact CG2-OE2 3.41Å
223G82.4Confident84.3Confident26 Ų2654.7 Ų54.727%0.26827%0.272SS..THydrogen-bonded Turntrans86.7-10.517600000115.2Y221 A226 R227 E266Y221-G223 PolarHBondContact O-N 3.36Å; G223-A226 PolarHBondContact O-N 3.01Å; G223-R227 PolarHBondContact O-N 3.24Å; G223-R227 VanDerWaalsContact O-N 3.08Å; G223-E266 WeakPolarHBondContact CA-OE1 3.28Å; G223-E266 PolarHBondContact N-OE1 3.34Å; G223-E266 PolarHBondContact N-OE2 3.11Å
224E86.1Confident84.2Confident64 Ų6453.9 Ų53.930%0.29927%0.266SS..Hα-helixtrans-70-46.5-178.2-16769.2170.400111Y221 I222 A226 R227 L228Y221-E224 PolarHBondContact O-N 3.19Å; I222-E224 VanDerWaalsContact C-N 3.32Å; I222-E224 PolarHBondContact O-N 3.47Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.47Å; E224-R227 VanDerWaalsContact CD-CZ 3.46Å; E224-R227 CarbonylContact O-C 3.57Å; E224-R227 WeakPolarHBondContact O-CA 3.3Å; E224-R227 VanDerWaalsContact O-CB 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.04Å; E224-R227 PolarHBondContact O-N 3.41Å; E224-R227 IonicContact OE1-CZ 3.69Å; E224-R227 IonicContact OE1-NH1 3.43Å; E224-R227 PolarHBondContact OE1-NH1 3.22Å; E224-R227 IonicContact OE1-NH2 3.8Å; E224-R227 PolarHBondContact OE1-NH2 3.32Å; E224-R227 IonicContact OE2-CZ 2.84Å; E224-R227 VanDerWaalsContact OE2-CZ 3.26Å; E224-R227 IonicContact OE2-NE 3.98Å; E224-R227 IonicContact OE2-NH1 3.65Å; E224-R227 PolarHBondContact OE2-NH1 2.87Å; E224-R227 IonicContact OE2-NH2 3.79Å; E224-L228 PolarHBondContact O-N 3.02Å
225S87.6Confident84.2Confident0 Ų054.5 Ų54.50%027%0.269CS..Hα-helixtrans-56.7-38.4176.3-48.10000112.4I217 D219 L228 I229I217-S225 VanDerWaalsContact O-CB 3.27Å; I217-S225 WeakPolarHBondContact O-CB 3.37Å; I217-S225 PolarHBondContact O-OG 3.22Å; D219-S225 PolarHBondContact N-OG 3.49Å; D219-S225 VanDerWaalsContact N-OG 3.08Å; S225-L228 PolarHBondContact O-N 2.88Å; S225-I229 WeakPolarHBondContact O-CG1 3.45Å; S225-I229 PolarHBondContact O-N 3.25Å; S225-I229 VanDerWaalsContact O-N 3.14Å
226A87.5Confident84.4Confident8 Ų851.7 Ų51.77%0.06625%0.249CC..Hα-helixtrans-74.5-29.5175.600000112.9G223 E224 R230 E273G223-A226 PolarHBondContact O-N 3.01Å; E224-A226 VanDerWaalsContact C-N 3.26Å; E224-A226 PolarHBondContact O-N 3.47Å; A226-R230 WeakPolarHBondContact O-CG 3.5Å; A226-R230 PolarHBondContact O-N 3.12Å; A226-R230 PolarHBondContact O-NE 2.87Å; A226-E273 HydrophobicContact CB-CB 4.16Å; A226-E273 HydrophobicContact CB-CG 4.23Å
227R88.1Confident84.5Confident84 Ų8452.9 Ų52.932%0.31724%0.243SC..Hα-helixtrans-66-46.4169.3-167.4-176.283.4-149.65.4110.2D130 G223 E224 I229 R230 E231D130-R227 IonicContact OD1-NH2 3.95Å; D130-R227 PolarHBondContact OD1-NH2 3.11Å; D130-R227 VanDerWaalsContact OD1-NH2 3.15Å; D130-R227 IonicContact OD2-CZ 3.69Å; D130-R227 IonicContact OD2-NE 3.66Å; D130-R227 PolarHBondContact OD2-NE 3.42Å; D130-R227 IonicContact OD2-NH2 2.79Å; D130-R227 PolarHBondContact OD2-NH2 3.44Å; G223-R227 PolarHBondContact O-N 3.24Å; G223-R227 VanDerWaalsContact O-N 3.08Å; E224-R227 VanDerWaalsContact CD-CZ 3.46Å; E224-R227 CarbonylContact O-C 3.57Å; E224-R227 WeakPolarHBondContact O-CA 3.3Å; E224-R227 VanDerWaalsContact O-CB 3.32Å; E224-R227 WeakPolarHBondContact O-CB 3.04Å; E224-R227 PolarHBondContact O-N 3.41Å; E224-R227 IonicContact OE1-CZ 3.69Å; E224-R227 IonicContact OE1-NH1 3.43Å; E224-R227 PolarHBondContact OE1-NH1 3.22Å; E224-R227 IonicContact OE1-NH2 3.8Å; E224-R227 PolarHBondContact OE1-NH2 3.32Å; E224-R227 IonicContact OE2-CZ 2.84Å; E224-R227 VanDerWaalsContact OE2-CZ 3.26Å; E224-R227 IonicContact OE2-NE 3.98Å; E224-R227 IonicContact OE2-NH1 3.65Å; E224-R227 PolarHBondContact OE2-NH1 2.87Å; E224-R227 IonicContact OE2-NH2 3.79Å; R227-I229 PolarHBondContact O-N 3.07Å; R227-R230 WeakPolarHBondContact O-CB 3.38Å; R227-R230 PolarHBondContact O-N 3.13Å; R227-R230 VanDerWaalsContact O-N 3.1Å; R227-E231 IonicContact NE-OE1 3.34Å; R227-E231 PolarHBondContact NE-OE1 3.07Å; R227-E231 PolarHBondContact O-N 2.83Å
228L88.4Confident84.6Confident9 Ų957.9 Ų57.95%0.04727%0.27CS..Hα-helixtrans-58.4-45.1-179.4-172.367.6000112.2D130 L132 V133 I217 E224 S225 R230 E231 M232D130-L228 HydrophobicContact CB-CD1 4.29Å; L132-L228 HydrophobicContact CB-CD1 4.08Å; L132-L228 HydrophobicContact CD1-CD1 4.43Å; L132-L228 HydrophobicContact CD1-CD2 4.49Å; V133-L228 HydrophobicContact CG2-CD1 3.46Å; V133-L228 VanDerWaalsContact CG2-CD1 3.46Å; V133-L228 HydrophobicContact CG2-CG 4.39Å; I217-L228 HydrophobicContact CG2-CD2 4.34Å; E224-L228 PolarHBondContact O-N 3.02Å; S225-L228 PolarHBondContact O-N 2.88Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.39Å; L228-E231 PolarHBondContact O-N 2.93Å; L228-M232 WeakPolarHBondContact O-CB 3.11Å; L228-M232 PolarHBondContact O-N 3.4Å
229I89.1Confident84.9Confident1 Ų158.8 Ų58.81%0.00527%0.271CS..Hα-helixtrans-58.5-46.7175.6-70.3169.6000110.7I217 S225 R227 E231 M232 F233 T270 E273 L274 Q277I217-I229 HydrophobicContact CG2-CD1 4.23Å; I217-I229 HydrophobicContact CG2-CG1 4.07Å; S225-I229 WeakPolarHBondContact O-CG1 3.45Å; S225-I229 PolarHBondContact O-N 3.25Å; S225-I229 VanDerWaalsContact O-N 3.14Å; R227-I229 PolarHBondContact O-N 3.07Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.49Å; I229-M232 PolarHBondContact O-N 3.33Å; I229-F233 HydrophobicContact CG2-CD2 3.7Å; I229-F233 HydrophobicContact CG2-CE2 3.56Å; I229-F233 WeakPolarHBondContact O-CD2 3.3Å; I229-F233 PolarHBondContact O-N 2.84Å; I229-T270 WeakPolarHBondContact CD1-O 3.34Å; I229-E273 HydrophobicContact CG2-CG 4.37Å; I229-L274 HydrophobicContact CD1-CB 4.34Å; I229-L274 HydrophobicContact CG2-CB 4.37Å; I229-L274 HydrophobicContact CG2-CD1 4.4Å; I229-Q277 HydrophobicContact CG2-CG 4.4Å
230R88Confident85.3Confident111 Ų11159.3 Ų59.342%0.41927%0.271SS..Hα-helixtrans-60.9-41.6176.9-73.2-177.1-72.4164.9-0.2112.1A226 R227 L228 N234 E273 Q277A226-R230 WeakPolarHBondContact O-CG 3.5Å; A226-R230 PolarHBondContact O-N 3.12Å; A226-R230 PolarHBondContact O-NE 2.87Å; R227-R230 WeakPolarHBondContact O-CB 3.38Å; R227-R230 PolarHBondContact O-N 3.13Å; R227-R230 VanDerWaalsContact O-N 3.1Å; L228-R230 VanDerWaalsContact C-N 3.34Å; L228-R230 PolarHBondContact O-N 3.39Å; R230-N234 WeakPolarHBondContact O-CB 3.49Å; R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.07Å; R230-N234 PolarHBondContact O-ND2 3.29Å; R230-E273 WeakPolarHBondContact CD-OE1 3.44Å; R230-E273 HydrophobicContact CG-CG 3.91Å; R230-E273 WeakPolarHBondContact CG-OE1 3.28Å; R230-Q277 HydrophobicContact CG-CG 4.46Å
231E87.2Confident86Confident36 Ų3652 Ų5217%0.16824%0.244CC..Hα-helixtrans-66.6-43.5178.1-71.5-166.7-162.400112.4D130 V133 R227 L228 I229 F233 N234 Y235D130-E231 WeakPolarHBondContact CB-OE2 3.49Å; D130-E231 PolarHBondContact N-OE2 3.18Å; D130-E231 VanDerWaalsContact OD2-CD 3.25Å; D130-E231 VanDerWaalsContact OD2-OE2 3.05Å; V133-E231 HydrophobicContact CG2-CB 4.29Å; R227-E231 IonicContact NE-OE1 3.34Å; R227-E231 PolarHBondContact NE-OE1 3.07Å; R227-E231 PolarHBondContact O-N 2.83Å; L228-E231 PolarHBondContact O-N 2.93Å; I229-E231 VanDerWaalsContact C-N 3.32Å; I229-E231 PolarHBondContact O-N 3.49Å; E231-F233 VanDerWaalsContact C-N 3.33Å; E231-F233 PolarHBondContact O-N 2.81Å; E231-N234 WeakPolarHBondContact O-CB 3.42Å; E231-N234 PolarHBondContact O-N 3.39Å; E231-Y235 WeakPolarHBondContact O-CB 3.41Å; E231-Y235 PolarHBondContact O-N 3.45Å
232M88.5Confident86.5Confident5 Ų543.7 Ų43.73%0.02521%0.212CC..Hα-helixtrans-54.4-48.3173.5179.1-164.770.200111.6V133 V212 L228 I229 Y235 A236 I244V133-M232 HydrophobicContact CG1-CB 4.46Å; V133-M232 HydrophobicContact CG2-CB 4.46Å; V212-M232 HydrophobicContact CB-SD 4.47Å; V212-M232 HydrophobicContact CG2-SD 3.63Å; L228-M232 WeakPolarHBondContact O-CB 3.11Å; L228-M232 PolarHBondContact O-N 3.4Å; I229-M232 PolarHBondContact O-N 3.33Å; M232-Y235 PolarHBondContact O-N 3.22Å; M232-A236 WeakPolarHBondContact O-CB 3.01Å; M232-A236 PolarHBondContact O-N 2.88Å; M232-I244 HydrophobicContact CE-CD1 4.44Å; M232-I244 HydrophobicContact CE-CG2 4.1Å; M232-I244 HydrophobicContact SD-CG2 3.99Å
233F88.1Confident86.9Confident0 Ų037.2 Ų37.20%018%0.178CC..Hα-helixtrans-69-33.9178.4-79-65.5000114I229 E231 R237 I244 L274 Q277 M278 F281 M289I229-F233 HydrophobicContact CG2-CD2 3.7Å; I229-F233 HydrophobicContact CG2-CE2 3.56Å; I229-F233 WeakPolarHBondContact O-CD2 3.3Å; I229-F233 PolarHBondContact O-N 2.84Å; E231-F233 VanDerWaalsContact C-N 3.33Å; E231-F233 PolarHBondContact O-N 2.81Å; F233-R237 WeakPolarHBondContact O-CB 3.44Å; F233-R237 WeakPolarHBondContact O-CG 3.32Å; F233-R237 PolarHBondContact O-N 3.15Å; F233-R237 VanDerWaalsContact O-N 3.09Å; F233-R237 PolarHBondContact O-NE 3.46Å; F233-I244 HydrophobicContact CD1-CD1 3.59Å; F233-I244 HydrophobicContact CE1-CD1 3.58Å; F233-L274 HydrophobicContact CE2-CD1 3.59Å; F233-L274 HydrophobicContact CZ-CD1 3.59Å; F233-Q277 HydrophobicContact CD1-CB 4.5Å; F233-Q277 HydrophobicContact CD2-CB 3.35Å; F233-Q277 HydrophobicContact CD2-CG 3.59Å; F233-Q277 HydrophobicContact CE2-CB 3.4Å; F233-Q277 VanDerWaalsContact CE2-CB 3.4Å; F233-Q277 HydrophobicContact CE2-CG 4.01Å; F233-Q277 HydrophobicContact CG-CB 3.91Å; F233-Q277 HydrophobicContact CG-CG 4.29Å; F233-Q277 HydrophobicContact CZ-CB 4Å; F233-M278 HydrophobicContact CZ-CG 4.44Å; F233-F281 AromaticContact CD1-CE2 3.42Å; F233-F281 HydrophobicContact CD1-CE2 3.42Å; F233-F281 VanDerWaalsContact CD1-CE2 3.42Å; F233-F281 AromaticContact CD1-CZ 3.49Å; F233-F281 HydrophobicContact CD1-CZ 3.49Å; F233-F281 VanDerWaalsContact CD1-CZ 3.49Å; F233-F281 AromaticContact CE1-CE2 3.38Å; F233-F281 HydrophobicContact CE1-CE2 3.38Å; F233-F281 AromaticContact CE1-CZ 3.81Å; F233-F281 HydrophobicContact CE1-CZ 3.81Å; F233-F281 HydrophobicContact CG-CE2 4.41Å; F233-F281 HydrophobicContact CZ-CE2 4.37Å; F233-M289 HydrophobicContact CE1-CE 3.24Å; F233-M289 HydrophobicContact CE2-CE 4.48Å; F233-M289 HydrophobicContact CZ-CE 3.19Å
234N86.3Confident87.3Confident27 Ų2736 Ų3614%0.14417%0.165CC..Hα-helixtrans-65.3-45.2172.6-76.8-52.2000110.7R127 R230 E231 A236 R237 D238R127-N234 VanDerWaalsContact NH1-CB 3.34Å; R127-N234 PolarHBondContact NH1-ND2 3.07Å; R127-N234 PolarHBondContact NH1-OD1 3.32Å; R127-N234 PolarHBondContact NH2-ND2 3.4Å; R230-N234 WeakPolarHBondContact O-CB 3.49Å; R230-N234 VanDerWaalsContact O-CG 3.23Å; R230-N234 PolarHBondContact O-N 3.07Å; R230-N234 PolarHBondContact O-ND2 3.29Å; E231-N234 WeakPolarHBondContact O-CB 3.42Å; E231-N234 PolarHBondContact O-N 3.39Å; N234-A236 PolarHBondContact O-N 3.49Å; N234-R237 WeakPolarHBondContact O-CB 3.27Å; N234-R237 PolarHBondContact O-N 3.02Å; N234-R237 VanDerWaalsContact O-N 3.12Å; N234-R237 VanDerWaalsContact OD1-CZ 3.29Å; N234-R237 PolarHBondContact OD1-NH2 3.1Å; N234-D238 PolarHBondContact O-N 3.34Å
235Y86.7Confident87.6Confident14 Ų1432.9 Ų32.96%0.05515%0.151CC..Hα-helixtrans-60.1-45.4177.6-176.3-91.3000111.6V129 V133 S137 L210 E231 M232 R237 D238 H239V129-Y235 HydrophobicContact CB-CD2 4.38Å; V129-Y235 HydrophobicContact CG1-CD2 3.67Å; V129-Y235 HydrophobicContact CG1-CE2 4.23Å; V129-Y235 HydrophobicContact CG1-CG 4.37Å; V129-Y235 HydrophobicContact CG2-CD2 3.8Å; V129-Y235 HydrophobicContact CG2-CE2 4.28Å; V133-Y235 HydrophobicContact CG1-CD1 4.31Å; V133-Y235 HydrophobicContact CG1-CG 4Å; S137-Y235 VanDerWaalsContact CB-CE1 3.48Å; S137-Y235 WeakPolarHBondContact CB-OH 3.19Å; S137-Y235 PolarHBondContact OG-OH 3.3Å; L210-Y235 HydrophobicContact CD1-CD1 4Å; L210-Y235 HydrophobicContact CD2-CD1 3.83Å; L210-Y235 HydrophobicContact CD2-CE1 3.88Å; L210-Y235 HydrophobicContact CG-CD1 4.44Å; E231-Y235 WeakPolarHBondContact O-CB 3.41Å; E231-Y235 PolarHBondContact O-N 3.45Å; M232-Y235 PolarHBondContact O-N 3.22Å; Y235-R237 VanDerWaalsContact C-N 3.27Å; Y235-R237 PolarHBondContact O-N 2.99Å; Y235-D238 PolarHBondContact O-N 3.18Å; Y235-H239 AromaticContact CD1-ND1 3.96Å; Y235-H239 AromaticContact CD2-CE1 3.53Å; Y235-H239 AromaticContact CD2-ND1 3.71Å; Y235-H239 AromaticContact CE1-ND1 3.82Å; Y235-H239 AromaticContact CE2-CE1 3.15Å; Y235-H239 WeakPolarHBondContact CE2-CE1 3.42Å; Y235-H239 AromaticContact CE2-ND1 3.59Å; Y235-H239 AromaticContact CE2-NE2 3.77Å; Y235-H239 AromaticContact CG-ND1 3.91Å; Y235-H239 AromaticContact CZ-CE1 3.5Å; Y235-H239 AromaticContact CZ-ND1 3.65Å; Y235-H239 AromaticContact CZ-NE2 3.83Å; Y235-H239 PolarHBondContact O-N 2.85Å; Y235-H239 PolarHBondContact O-ND1 3.36Å
236A87.4Confident87.8Confident0 Ų032.9 Ų32.90%015%0.151CC..Hα-helixtrans-60.9-36175.300000112.6L210 M232 N234 C242 I244 V287L210-A236 HydrophobicContact CD1-CB 3.69Å; M232-A236 WeakPolarHBondContact O-CB 3.01Å; M232-A236 PolarHBondContact O-N 2.88Å; N234-A236 PolarHBondContact O-N 3.49Å; A236-C242 HydrophobicContact CB-CB 4.4Å; A236-I244 HydrophobicContact CB-CD1 3.75Å; A236-I244 HydrophobicContact CB-CG1 4.05Å; A236-V287 HydrophobicContact CB-CG1 4.03Å; A236-V287 HydrophobicContact CB-CG2 4.49Å
237R84.8Confident88Confident92 Ų9233.7 Ų33.735%0.34715%0.154SC..Hα-helixtrans-69.3-38.1176.3-81.5-175.3-78.8160-15112.6F233 N234 Y235 H239 Q240 F281F233-R237 WeakPolarHBondContact O-CB 3.44Å; F233-R237 WeakPolarHBondContact O-CG 3.32Å; F233-R237 PolarHBondContact O-N 3.15Å; F233-R237 VanDerWaalsContact O-N 3.09Å; F233-R237 PolarHBondContact O-NE 3.46Å; N234-R237 WeakPolarHBondContact O-CB 3.27Å; N234-R237 PolarHBondContact O-N 3.02Å; N234-R237 VanDerWaalsContact O-N 3.12Å; N234-R237 VanDerWaalsContact OD1-CZ 3.29Å; N234-R237 PolarHBondContact OD1-NH2 3.1Å; Y235-R237 VanDerWaalsContact C-N 3.27Å; Y235-R237 PolarHBondContact O-N 2.99Å; R237-H239 VanDerWaalsContact C-N 3.31Å; R237-Q240 WeakPolarHBondContact O-CG 3.42Å; R237-Q240 PolarHBondContact O-NE2 3.2Å; R237-F281 HydrophobicContact CG-CE1 4.48Å
238D84.3Confident88.1Confident107 Ų10733.6 Ų33.657%0.57216%0.157SC*.Hα-helixtrans-71.8-27.3178.6-68-21.8000111.8N234 Y235N234-D238 PolarHBondContact O-N 3.34Å; Y235-D238 PolarHBondContact O-N 3.18Å
239H85.1Confident88.2Confident73 Ų7333.1 Ų33.134%0.33816%0.155SC..THydrogen-bonded Turntrans-111.345.6-176.7-59.379000113.8N208 Y235 R237 P241 C242N208-H239 VanDerWaalsContact ND2-CB 3.35Å; N208-H239 WeakPolarHBondContact ND2-CB 3.42Å; Y235-H239 AromaticContact CD1-ND1 3.96Å; Y235-H239 AromaticContact CD2-CE1 3.53Å; Y235-H239 AromaticContact CD2-ND1 3.71Å; Y235-H239 AromaticContact CE1-ND1 3.82Å; Y235-H239 AromaticContact CE2-CE1 3.15Å; Y235-H239 WeakPolarHBondContact CE2-CE1 3.42Å; Y235-H239 AromaticContact CE2-ND1 3.59Å; Y235-H239 AromaticContact CE2-NE2 3.77Å; Y235-H239 AromaticContact CG-ND1 3.91Å; Y235-H239 AromaticContact CZ-CE1 3.5Å; Y235-H239 AromaticContact CZ-ND1 3.65Å; Y235-H239 AromaticContact CZ-NE2 3.83Å; Y235-H239 PolarHBondContact O-N 2.85Å; Y235-H239 PolarHBondContact O-ND1 3.36Å; R237-H239 VanDerWaalsContact C-N 3.31Å; H239-P241 CarbonylContact O-C 3.6Å; H239-C242 WeakPolarHBondContact O-CB 3.29Å
240Q85.3Confident88.1Confident74 Ų7435 Ų3535%0.34617%0.165SC..  trans-71.7139.8176.7-74.317552.100112.2R237 R286 V287R237-Q240 WeakPolarHBondContact O-CG 3.42Å; R237-Q240 PolarHBondContact O-NE2 3.2Å; Q240-R286 HydrophobicContact CB-CB 4.32Å; Q240-R286 HydrophobicContact CG-CB 4.48Å; Q240-R286 VanDerWaalsContact OE1-N 3.1Å; Q240-V287 HydrophobicContact CG-CG2 3.64Å
241P87.3Confident88Confident50 Ų5031.1 Ų31.133%0.32516%0.156SC..SBendcis-78.7139.4132.5-34.5000113.3L167 C207 N208 H239 R286L167-P241 HydrophobicContact CD2-CB 4.14Å; C207-P241 HydrophobicContact CB-CB 4.41Å; C207-P241 HydrophobicContact CB-CG 4.26Å; N208-P241 PolarHBondContact N-O 3.43Å; N208-P241 VanDerWaalsContact N-O 3.17Å; H239-P241 CarbonylContact O-C 3.6Å; P241-R286 WeakPolarHBondContact CA-O 3.43Å; P241-R286 HydrophobicContact CB-CB 4.2Å
242C87.7Confident87.9Confident0 Ų029.4 Ų29.40%015%0.149CC..EExtended strand (participates in β ladder)trans-141142.4-175.7-179.30000112.6N208 L210 A236 H239 R286 V287 K288N208-C242 HydrophobicContact CB-CB 4.15Å; N208-C242 CarbonylContact O-C 3.59Å; N208-C242 VanDerWaalsContact O-CA 3.26Å; N208-C242 WeakPolarHBondContact O-CA 3.45Å; N208-C242 PolarHBondContact O-SG 3.41Å; L210-C242 WeakPolarHBondContact CD1-SG 3.18Å; A236-C242 HydrophobicContact CB-CB 4.4Å; H239-C242 WeakPolarHBondContact O-CB 3.29Å; C242-R286 PolarHBondContact N-O 3.49Å; C242-V287 VanDerWaalsContact O-CA 3.3Å; C242-V287 WeakPolarHBondContact O-CA 3.33Å; C242-K288 PolarHBondContact O-N 3.45Å
243I89.7Confident87.4Confident0 Ų029.2 Ų29.20%015%0.148CC..EExtended strand (participates in β ladder)trans-113.2123.6172.7-62.1175.5000108.8I163 V201 A202 L205 C207 N208 F209 L210 K288 I290I163-I243 HydrophobicContact CG2-CD1 3.69Å; I163-I243 HydrophobicContact CG2-CG1 4.27Å; V201-I243 HydrophobicContact CG1-CD1 4.26Å; A202-I243 HydrophobicContact CB-CD1 4.48Å; L205-I243 HydrophobicContact CD1-CD1 3.97Å; C207-I243 WeakPolarHBondContact SG-CD1 3.44Å; C207-I243 VanDerWaalsContact SG-CG1 3.58Å; N208-I243 PolarHBondContact O-N 2.93Å; F209-I243 HydrophobicContact CD2-CB 4.43Å; F209-I243 HydrophobicContact CD2-CG2 4.37Å; L210-I243 PolarHBondContact N-O 3.39Å; I243-K288 WeakPolarHBondContact CA-O 3.4Å; I243-I290 HydrophobicContact CG2-CD1 3.83Å; I243-I290 HydrophobicContact CG2-CG1 4.11Å
244I91.1Very high87Confident0 Ų029.8 Ų29.80%015%0.154CC..EExtended strand (participates in β ladder)trans-95.8116.6171.5-57.7168.9000107.9L210 M232 F233 A236 M246 V287 K288 M289 I290L210-I244 HydrophobicContact CB-CG1 4.38Å; L210-I244 HydrophobicContact CD1-CG1 4.05Å; M232-I244 HydrophobicContact CE-CD1 4.44Å; M232-I244 HydrophobicContact CE-CG2 4.1Å; M232-I244 HydrophobicContact SD-CG2 3.99Å; F233-I244 HydrophobicContact CD1-CD1 3.59Å; F233-I244 HydrophobicContact CE1-CD1 3.58Å; A236-I244 HydrophobicContact CB-CD1 3.75Å; A236-I244 HydrophobicContact CB-CG1 4.05Å; I244-M246 HydrophobicContact CG2-CG 4.08Å; I244-V287 HydrophobicContact CD1-CG1 3.95Å; I244-V287 HydrophobicContact CG1-CG1 4.31Å; I244-K288 PolarHBondContact N-O 2.97Å; I244-M289 HydrophobicContact CD1-CE 4.36Å; I244-M289 HydrophobicContact CG2-CE 4.39Å; I244-M289 CarbonylContact O-C 3.53Å; I244-M289 WeakPolarHBondContact O-CA 3.22Å; I244-I290 PolarHBondContact O-N 3.1Å
245F92.3Very high86.1Confident0 Ų035.2 Ų35.20%017%0.172CC..EExtended strand (participates in β ladder)trans-105.7114.9173.4177.3-105.8000110.1T195 A198 F209 L210 K211 V212 D247 I290 A292T195-F245 HydrophobicContact CG2-CE1 3.82Å; T195-F245 HydrophobicContact CG2-CZ 4.19Å; A198-F245 HydrophobicContact CB-CD2 3.24Å; A198-F245 HydrophobicContact CB-CE2 3.33Å; A198-F245 HydrophobicContact CB-CG 3.91Å; A198-F245 HydrophobicContact CB-CZ 4.07Å; F209-F245 HydrophobicContact CD2-CB 4.49Å; F209-F245 HydrophobicContact CE2-CB 3.47Å; F209-F245 VanDerWaalsContact CE2-CB 3.47Å; F209-F245 HydrophobicContact CE2-CG 4.22Å; F209-F245 HydrophobicContact CZ-CB 3.57Å; F209-F245 HydrophobicContact CZ-CD1 4.07Å; F209-F245 AromaticContact CZ-CG 3.97Å; F209-F245 HydrophobicContact CZ-CG 3.97Å; L210-F245 PolarHBondContact O-N 3.39Å; K211-F245 HydrophobicContact CG-CD1 4.2Å; V212-F245 PolarHBondContact N-O 3.14Å; F245-D247 HydrophobicContact CE1-CB 3.72Å; F245-D247 HydrophobicContact CZ-CB 4.1Å; F245-I290 CarbonylContact C-O 3.57Å; F245-I290 WeakPolarHBondContact CA-O 3.36Å; F245-I290 HydrophobicContact CD2-CB 3.86Å; F245-I290 HydrophobicContact CD2-CG2 3.67Å; F245-I290 HydrophobicContact CE2-CG2 3.96Å; F245-A292 HydrophobicContact CE2-CB 3.98Å; F245-A292 HydrophobicContact CZ-CB 3.95Å
246M91.5Very high85.2Confident0 Ų039.2 Ų39.20%019%0.187CC..EExtended strand (participates in β ladder)trans-105.2111.3175.2-60.5-171.37900110V212 I217 I244 I249 I252 L274 I290 M291 A292V212-M246 CarbonylContact O-C 3.6Å; V212-M246 VanDerWaalsContact O-CA 3.3Å; V212-M246 WeakPolarHBondContact O-CA 3.48Å; I217-M246 HydrophobicContact CD1-CE 3.62Å; I244-M246 HydrophobicContact CG2-CG 4.08Å; M246-I249 HydrophobicContact CB-CD1 4.46Å; M246-I249 HydrophobicContact CE-CD1 4.1Å; M246-I249 HydrophobicContact SD-CD1 4.29Å; M246-I252 HydrophobicContact CE-CD1 3.93Å; M246-L274 HydrophobicContact CE-CD1 4.38Å; M246-L274 HydrophobicContact CE-CD2 4.11Å; M246-L274 HydrophobicContact SD-CD1 3.88Å; M246-L274 HydrophobicContact SD-CD2 4.09Å; M246-I290 PolarHBondContact N-O 3.4Å; M246-M291 HydrophobicContact CB-CG 4.32Å; M246-M291 CarbonylContact O-C 3.52Å; M246-M291 WeakPolarHBondContact O-CA 3.33Å; M246-M291 HydrophobicContact SD-CE 4.19Å; M246-A292 PolarHBondContact O-N 3.24Å
247D91.1Very high83.8Confident25 Ų2548.1 Ų48.113%0.13423%0.226CC..EExtended strand (participates in β ladder)trans-89.1156.9174.3-143-21.8000111.1T195 V212 S214 F245 I249T195-D247 PolarHBondContact OG1-OD2 2.87Å; V212-D247 PolarHBondContact O-N 3.14Å; S214-D247 VanDerWaalsContact CB-O 3.32Å; S214-D247 WeakPolarHBondContact CB-O 3.38Å; S214-D247 PolarHBondContact N-O 3.31Å; S214-D247 PolarHBondContact OG-O 3.02Å; F245-D247 HydrophobicContact CE1-CB 3.72Å; F245-D247 HydrophobicContact CZ-CB 4.1Å; D247-I249 VanDerWaalsContact C-N 3.29Å; D247-I249 PolarHBondContact O-N 2.78Å
248E90.1Very high82.4Confident81 Ų8148.6 Ų48.638%0.37924%0.244SC..  trans50.544.1178-57.6-176.8158.300113.8S214 S215 D250 A251 A292S214-E248 VanDerWaalsContact CB-O 3.28Å; S214-E248 WeakPolarHBondContact CB-O 3.22Å; S215-E248 PolarHBondContact OG-OE2 2.83Å; E248-D250 WeakPolarHBondContact CA-OD1 3.41Å; E248-D250 PolarHBondContact O-N 3.46Å; E248-A251 WeakPolarHBondContact O-CB 3.18Å; E248-A251 PolarHBondContact O-N 2.96Å; E248-A292 PolarHBondContact N-O 2.85Å
249I90Very high81.2Confident0 Ų053 Ų530%026%0.261CS..THydrogen-bonded Turntrans-60.3-19.6-175.9-168.468.4000112.9L185 S214 M246 D247 A251 I252 G253 L274 M291 A292 L299 L303L185-I249 HydrophobicContact CD1-CG2 4.41Å; S214-I249 WeakPolarHBondContact OG-CA 3.42Å; M246-I249 HydrophobicContact CB-CD1 4.46Å; M246-I249 HydrophobicContact CE-CD1 4.1Å; M246-I249 HydrophobicContact SD-CD1 4.29Å; D247-I249 VanDerWaalsContact C-N 3.29Å; D247-I249 PolarHBondContact O-N 2.78Å; I249-A251 PolarHBondContact O-N 3.24Å; I249-I252 HydrophobicContact CD1-CD1 3.65Å; I249-I252 HydrophobicContact CD1-CG1 3.66Å; I249-I252 HydrophobicContact CG1-CG1 4.47Å; I249-I252 PolarHBondContact O-N 3.01Å; I249-G253 WeakPolarHBondContact O-CA 3.48Å; I249-G253 PolarHBondContact O-N 2.71Å; I249-L274 HydrophobicContact CD1-CD2 3.99Å; I249-M291 HydrophobicContact CD1-CE 4.33Å; I249-M291 HydrophobicContact CD1-SD 4.01Å; I249-M291 HydrophobicContact CG1-SD 3.78Å; I249-M291 HydrophobicContact CG2-CB 4.36Å; I249-A292 WeakPolarHBondContact CG2-O 3.22Å; I249-A292 PolarHBondContact N-O 3.29Å; I249-A292 VanDerWaalsContact N-O 3.09Å; I249-L299 HydrophobicContact CG2-CD1 4.48Å; I249-L299 HydrophobicContact CG2-CD2 3.93Å; I249-L303 HydrophobicContact CG1-CD1 4.48Å
250D87.4Confident80Confident40 Ų4050.6 Ų50.621%0.21426%0.256CS..Hα-helixtrans-60.6-22.3172.757.2-36.9000113.8E248 I252 G254 L299E248-D250 WeakPolarHBondContact CA-OD1 3.41Å; E248-D250 PolarHBondContact O-N 3.46Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 3.01Å; D250-G254 PolarHBondContact O-N 3.4Å; D250-L299 HydrophobicContact CB-CD2 4.33Å
251A86Confident79.4Confident29 Ų2951.5 Ų51.524%0.2427%0.267CS..Hα-helixtrans-60.7-42.1173.800000112.5E248 I249 R256E248-A251 WeakPolarHBondContact O-CB 3.18Å; E248-A251 PolarHBondContact O-N 2.96Å; I249-A251 PolarHBondContact O-N 3.24Å; A251-R256 PolarHBondContact O-NH2 2.98Å
252I85Confident78.7Confident1 Ų154.1 Ų54.11%0.00529%0.286CS..Hα-helixtrans-106.2-26.2-177.865.9177.2000113.7S214 V218 M246 I249 D250 I267 L274S214-I252 WeakPolarHBondContact O-CG2 3.45Å; V218-I252 HydrophobicContact CG2-CG2 3.56Å; M246-I252 HydrophobicContact CE-CD1 3.93Å; I249-I252 HydrophobicContact CD1-CD1 3.65Å; I249-I252 HydrophobicContact CD1-CG1 3.66Å; I249-I252 HydrophobicContact CG1-CG1 4.47Å; I249-I252 PolarHBondContact O-N 3.01Å; D250-I252 VanDerWaalsContact C-N 3.34Å; D250-I252 PolarHBondContact O-N 3.01Å; I252-I267 HydrophobicContact CB-CG2 4.22Å; I252-I267 HydrophobicContact CG2-CG2 4.48Å; I252-I267 WeakPolarHBondContact O-CG2 3.21Å; I252-L274 HydrophobicContact CD1-CD2 4Å
253G79.1Confident78Confident0 Ų057 Ų570%031%0.31CS..Hα-helixtrans-92.15.5-174.300000114.5I249 L299 D300I249-G253 WeakPolarHBondContact O-CA 3.48Å; I249-G253 PolarHBondContact O-N 2.71Å; G253-L299 CarbonylContact O-C 3.45Å; G253-L299 WeakPolarHBondContact O-CA 3.27Å; G253-D300 WeakPolarHBondContact O-CB 3.41Å; G253-D300 PolarHBondContact O-N 2.75Å
254G78.1Confident77.5Confident13 Ų1358.3 Ų58.313%0.13432%0.317CS..BIsolated β-bridgetrans-66.4139.3-179.600000113.6D250 R256 T298D250-G254 PolarHBondContact O-N 3.4Å; G254-R256 PolarHBondContact O-N 3Å; G254-T298 CarbonylContact C-O 3.6Å; G254-T298 VanDerWaalsContact CA-O 3.24Å; G254-T298 WeakPolarHBondContact CA-O 3.47Å
255R68.5Low77.1Confident141 Ų14166.2 Ų66.253%0.53235%0.347SS..  trans-63.199.4169.4-68.2179.5-164.4-157.7-8109.6T298 L299R255-T298 PolarHBondContact N-O 2.92Å; R255-L299 PolarHBondContact NE-O 3.26Å
256R68.3Low76.6Confident98 Ų9866.8 Ų66.837%0.3735%0.349SS..  trans-105.6124.5174.8-61.3-173.7-169-129.7-0.5109.5A251 G254 D264 Q268A251-R256 PolarHBondContact O-NH2 2.98Å; G254-R256 PolarHBondContact O-N 3Å; R256-D264 IonicContact CZ-OD1 3.51Å; R256-D264 IonicContact NE-OD1 3.26Å; R256-D264 IonicContact NH1-OD1 3.91Å; R256-D264 PolarHBondContact NH1-OD1 3.16Å; R256-Q268 PolarHBondContact O-NE2 3.25Å
257F57.4Low76.3Confident187 Ų18767.5 Ų67.582%0.8235%0.353SS*.  trans-73155.1174.5-73.6-86.7000110.7E259F257-E259 PolarHBondContact O-N 3.48Å
258S56.1Low76Confident102 Ų10269.4 Ų69.471%0.71336%0.361SS*.SBendtrans-62.4-3-168.949.60000116.8G260S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.32Å
259E58.8Low75.8Confident198 Ų19871.7 Ų71.793%0.92537%0.366SS*.SBendtrans-95.430.4179.2-68.5-173.615000113.2F257F257-E259 PolarHBondContact O-N 3.48Å
260G60.3Low75.7Confident23 Ų2371.7 Ų71.724%0.23737%0.367CS..  trans-86.6158.2179.800000114.8S258 D264S258-G260 VanDerWaalsContact C-N 3.33Å; S258-G260 PolarHBondContact O-N 3.32Å; G260-D264 WeakPolarHBondContact CA-OD2 3.35Å
261T70.6Confident75.8Confident94 Ų9470 Ų7058%0.57736%0.357SS*.  trans-60.2168172.461.80000111.9A263 D264 R265T261-A263 PolarHBondContact O-N 3.38Å; T261-D264 PolarHBondContact N-OD2 2.92Å; T261-D264 WeakPolarHBondContact O-CB 3.37Å; T261-D264 PolarHBondContact O-N 3Å; T261-D264 PolarHBondContact OG1-OD2 3.17Å; T261-R265 PolarHBondContact O-N 3.44Å
262S73.4Confident75.9Confident104 Ų10473.3 Ų73.373%0.72737%0.369SS*.Hα-helixtrans-53.7-29176.2-57.30000113.6E266S262-E266 PolarHBondContact O-N 3.23Å
263A73.9Confident76.1Confident60 Ų6075 Ų7550%0.49638%0.377SS..Hα-helixtrans-70.5-37.9176.700000112.5T261 R265 E266 I267T261-A263 PolarHBondContact O-N 3.38Å; A263-R265 VanDerWaalsContact C-N 3.32Å; A263-R265 PolarHBondContact O-N 2.89Å; A263-E266 PolarHBondContact O-N 3.26Å; A263-I267 WeakPolarHBondContact O-CG1 3.33Å; A263-I267 PolarHBondContact O-N 2.95Å
264D79.1Confident76.5Confident29 Ų2975 Ų7516%0.15538%0.377CS..Hα-helixtrans-65.9-37.6178.9-61.8-54.6000111.7R256 G260 T261 E266 I267 Q268R256-D264 IonicContact CZ-OD1 3.51Å; R256-D264 IonicContact NE-OD1 3.26Å; R256-D264 IonicContact NH1-OD1 3.91Å; R256-D264 PolarHBondContact NH1-OD1 3.16Å; G260-D264 WeakPolarHBondContact CA-OD2 3.35Å; T261-D264 PolarHBondContact N-OD2 2.92Å; T261-D264 WeakPolarHBondContact O-CB 3.37Å; T261-D264 PolarHBondContact O-N 3Å; T261-D264 PolarHBondContact OG1-OD2 3.17Å; D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 3.48Å; D264-I267 PolarHBondContact O-N 3Å; D264-Q268 WeakPolarHBondContact O-CG 3.45Å; D264-Q268 PolarHBondContact O-N 2.94Å
265R81.4Confident77Confident166 Ų16674.5 Ų74.563%0.62637%0.371SS*.Hα-helixtrans-64.8-35.6175.1-65.4-176.9-179.1-171.8-1.7112.1T261 A263 R269T261-R265 PolarHBondContact O-N 3.44Å; A263-R265 VanDerWaalsContact C-N 3.32Å; A263-R265 PolarHBondContact O-N 2.89Å; R265-R269 WeakPolarHBondContact O-CB 3.22Å; R265-R269 PolarHBondContact O-N 2.95Å
266E82.8Confident77.9Confident11 Ų1172.3 Ų72.35%0.05137%0.37CS..Hα-helixtrans-68.7-45.7176-173.659.3-160.900110.7I222 G223 S262 A263 D264 Q268 R269 T270I222-E266 WeakPolarHBondContact CG2-OE2 3.41Å; G223-E266 WeakPolarHBondContact CA-OE1 3.28Å; G223-E266 PolarHBondContact N-OE1 3.34Å; G223-E266 PolarHBondContact N-OE2 3.11Å; S262-E266 PolarHBondContact O-N 3.23Å; A263-E266 PolarHBondContact O-N 3.26Å; D264-E266 VanDerWaalsContact C-N 3.3Å; D264-E266 PolarHBondContact O-N 3.48Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.16Å; E266-R269 WeakPolarHBondContact O-CB 3.26Å; E266-R269 PolarHBondContact O-N 3.36Å; E266-R269 IonicContact OE2-CZ 3.14Å; E266-R269 IonicContact OE2-NH1 2.8Å; E266-R269 PolarHBondContact OE2-NH1 3.23Å; E266-T270 WeakPolarHBondContact O-CG2 3.05Å; E266-T270 PolarHBondContact O-N 3.34Å
267I84.9Confident78.8Confident15 Ų1569.3 Ų69.38%0.07736%0.36CS..Hα-helixtrans-57.6-46.4174.6-64.8167.3000110.7V218 I252 A263 D264 R269 T270 L271V218-I267 HydrophobicContact CG1-CD1 4.18Å; V218-I267 HydrophobicContact CG1-CG1 3.81Å; V218-I267 HydrophobicContact CG2-CG1 4.22Å; I252-I267 HydrophobicContact CB-CG2 4.22Å; I252-I267 HydrophobicContact CG2-CG2 4.48Å; I252-I267 WeakPolarHBondContact O-CG2 3.21Å; A263-I267 WeakPolarHBondContact O-CG1 3.33Å; A263-I267 PolarHBondContact O-N 2.95Å; D264-I267 PolarHBondContact O-N 3Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3.21Å; I267-T270 WeakPolarHBondContact CA-OG1 3.27Å; I267-T270 PolarHBondContact O-N 3.4Å; I267-T270 VanDerWaalsContact O-N 3.13Å; I267-T270 PolarHBondContact O-OG1 3.49Å; I267-L271 PolarHBondContact O-N 2.92Å
268Q85Confident80.1Confident66 Ų6660.8 Ų60.831%0.30832%0.323SS..Hα-helixtrans-58.8-41.5175.2-76.4-177.8-20.800112.4R256 D264 E266 T270 L271 M272R256-Q268 PolarHBondContact O-NE2 3.25Å; D264-Q268 WeakPolarHBondContact O-CG 3.45Å; D264-Q268 PolarHBondContact O-N 2.94Å; E266-Q268 VanDerWaalsContact C-N 3.33Å; E266-Q268 PolarHBondContact O-N 3.16Å; Q268-T270 VanDerWaalsContact C-N 3.34Å; Q268-T270 PolarHBondContact O-N 3.5Å; Q268-L271 PolarHBondContact O-N 3.43Å; Q268-M272 VanDerWaalsContact O-CG 3.27Å; Q268-M272 WeakPolarHBondContact O-CG 3.36Å; Q268-M272 PolarHBondContact O-N 3.34Å
269R85.6Confident81.3Confident128 Ų12859.5 Ų59.548%0.48331%0.308SS..Hα-helixtrans-62-41.8175.7-176.9-177.2-72.4147.4-9.1111.6R265 E266 I267 M272 E273R265-R269 WeakPolarHBondContact O-CB 3.22Å; R265-R269 PolarHBondContact O-N 2.95Å; E266-R269 WeakPolarHBondContact O-CB 3.26Å; E266-R269 PolarHBondContact O-N 3.36Å; E266-R269 IonicContact OE2-CZ 3.14Å; E266-R269 IonicContact OE2-NH1 2.8Å; E266-R269 PolarHBondContact OE2-NH1 3.23Å; I267-R269 VanDerWaalsContact C-N 3.3Å; I267-R269 PolarHBondContact O-N 3.21Å; R269-M272 PolarHBondContact O-N 2.85Å; R269-E273 PolarHBondContact O-N 3.45Å
270T88.3Confident81.8Confident1 Ų153 Ų531%0.00629%0.294CS..Hα-helixtrans-63.7-41.2176.662.90000112.3I229 E266 I267 Q268 E273 L274I229-T270 WeakPolarHBondContact CD1-O 3.34Å; E266-T270 WeakPolarHBondContact O-CG2 3.05Å; E266-T270 PolarHBondContact O-N 3.34Å; I267-T270 WeakPolarHBondContact CA-OG1 3.27Å; I267-T270 PolarHBondContact O-N 3.4Å; I267-T270 VanDerWaalsContact O-N 3.13Å; I267-T270 PolarHBondContact O-OG1 3.49Å; Q268-T270 VanDerWaalsContact C-N 3.34Å; Q268-T270 PolarHBondContact O-N 3.5Å; T270-E273 PolarHBondContact O-N 3.36Å; T270-L274 PolarHBondContact O-N 3.42Å
271L88.2Confident82.1Confident4 Ų453.2 Ų53.22%0.02129%0.289CS..Hα-helixtrans-61.3-46.4174.5177.761.4000110.9I267 Q268 E273 L274 L275 D300 L303I267-L271 PolarHBondContact O-N 2.92Å; Q268-L271 PolarHBondContact O-N 3.43Å; L271-E273 VanDerWaalsContact C-N 3.3Å; L271-E273 PolarHBondContact O-N 2.81Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.19Å; L271-L275 HydrophobicContact CD1-CG 4.36Å; L271-L275 HydrophobicContact CG-CD1 4.28Å; L271-L275 VanDerWaalsContact O-CG 3.25Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 3.5Å; L271-D300 HydrophobicContact CD2-CB 4.04Å; L271-L303 HydrophobicContact CD1-CD1 3.8Å; L271-L303 HydrophobicContact CD1-CD2 4.06Å; L271-L303 HydrophobicContact CD1-CG 3.99Å
272M88.1Confident81.4Confident98 Ų9854.3 Ų54.348%0.48329%0.291SS..Hα-helixtrans-61.6-39.1177.5-67.1-63.2164.200112Q268 R269 L275 N276Q268-M272 VanDerWaalsContact O-CG 3.27Å; Q268-M272 WeakPolarHBondContact O-CG 3.36Å; Q268-M272 PolarHBondContact O-N 3.34Å; R269-M272 PolarHBondContact O-N 2.85Å; M272-L275 PolarHBondContact O-N 3.3Å; M272-L275 HydrophobicContact SD-CD1 4.2Å; M272-N276 WeakPolarHBondContact O-CB 3.31Å; M272-N276 PolarHBondContact O-N 3.07Å; M272-N276 PolarHBondContact O-ND2 2.84Å
273E89.3Confident80.5Confident37 Ų3752.4 Ų52.417%0.17328%0.275CS..Hα-helixtrans-65.7-42.7174.5-172.757.4-147.500111.9A226 I229 R230 R269 T270 L271 L275 N276 Q277A226-E273 HydrophobicContact CB-CB 4.16Å; A226-E273 HydrophobicContact CB-CG 4.23Å; I229-E273 HydrophobicContact CG2-CG 4.37Å; R230-E273 WeakPolarHBondContact CD-OE1 3.44Å; R230-E273 HydrophobicContact CG-CG 3.91Å; R230-E273 WeakPolarHBondContact CG-OE1 3.28Å; R269-E273 PolarHBondContact O-N 3.45Å; T270-E273 PolarHBondContact O-N 3.36Å; L271-E273 VanDerWaalsContact C-N 3.3Å; L271-E273 PolarHBondContact O-N 2.81Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.3Å; E273-N276 PolarHBondContact O-N 2.91Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.38Å; E273-Q277 PolarHBondContact OE1-NE2 2.92Å
274L89.3Confident79.4Confident0 Ų056.1 Ų56.10%029%0.286CS..Hα-helixtrans-56.4-47.3173.3177.261000111.1I229 F233 M246 I249 I252 T270 L271 N276 Q277 M278 M289 M291I229-L274 HydrophobicContact CD1-CB 4.34Å; I229-L274 HydrophobicContact CG2-CB 4.37Å; I229-L274 HydrophobicContact CG2-CD1 4.4Å; F233-L274 HydrophobicContact CE2-CD1 3.59Å; F233-L274 HydrophobicContact CZ-CD1 3.59Å; M246-L274 HydrophobicContact CE-CD1 4.38Å; M246-L274 HydrophobicContact CE-CD2 4.11Å; M246-L274 HydrophobicContact SD-CD1 3.88Å; M246-L274 HydrophobicContact SD-CD2 4.09Å; I249-L274 HydrophobicContact CD1-CD2 3.99Å; I252-L274 HydrophobicContact CD1-CD2 4Å; T270-L274 PolarHBondContact O-N 3.42Å; L271-L274 WeakPolarHBondContact O-CB 3.38Å; L271-L274 PolarHBondContact O-N 3.19Å; L274-N276 PolarHBondContact O-N 2.92Å; L274-Q277 PolarHBondContact O-N 2.87Å; L274-M278 HydrophobicContact CD1-CG 4.41Å; L274-M278 HydrophobicContact CD1-SD 4.4Å; L274-M278 HydrophobicContact CG-SD 4.19Å; L274-M278 VanDerWaalsContact O-CG 3.26Å; L274-M278 WeakPolarHBondContact O-CG 3.36Å; L274-M278 PolarHBondContact O-N 3.3Å; L274-M289 HydrophobicContact CD1-CE 4.35Å; L274-M291 HydrophobicContact CD1-CE 4.46Å; L274-M291 HydrophobicContact CD2-CE 3.94Å; L274-M291 HydrophobicContact CG-CE 4.38Å
275L87.8Confident78.5Confident3 Ų357.8 Ų57.82%0.01629%0.293CS..Hα-helixtrans-61.3-43.5177.5-68.1177.9000112.2L271 M272 E273 M278 D279 A302 L303 R308L271-L275 HydrophobicContact CD1-CG 4.36Å; L271-L275 HydrophobicContact CG-CD1 4.28Å; L271-L275 VanDerWaalsContact O-CG 3.25Å; L271-L275 WeakPolarHBondContact O-CG 3.49Å; L271-L275 PolarHBondContact O-N 3.5Å; M272-L275 PolarHBondContact O-N 3.3Å; M272-L275 HydrophobicContact SD-CD1 4.2Å; E273-L275 VanDerWaalsContact C-N 3.32Å; E273-L275 PolarHBondContact O-N 3.3Å; L275-M278 PolarHBondContact O-N 3.19Å; L275-D279 PolarHBondContact O-N 3.41Å; L275-A302 HydrophobicContact CD1-CB 3.89Å; L275-L303 HydrophobicContact CD2-CD2 3.38Å; L275-L303 HydrophobicContact CD2-CG 3.92Å; L275-L303 HydrophobicContact CG-CD2 4.42Å; L275-R308 VanDerWaalsContact CD2-NH1 3.33Å
276N88.4Confident78.4Confident94 Ų9456.2 Ų56.250%0.50329%0.287SS..Hα-helixtrans-62.8-42.1176.9-71.5-22000111.7M272 E273 L274 D279 G280M272-N276 WeakPolarHBondContact O-CB 3.31Å; M272-N276 PolarHBondContact O-N 3.07Å; M272-N276 PolarHBondContact O-ND2 2.84Å; E273-N276 PolarHBondContact O-N 2.91Å; L274-N276 PolarHBondContact O-N 2.92Å; N276-D279 PolarHBondContact O-N 3.32Å; N276-G280 PolarHBondContact O-N 2.83Å
277Q87.1Confident78.5Confident36 Ų3656.2 Ų56.217%0.16829%0.287CS..Hα-helixtrans-66.7-38.9176.4-66.5-60.4-44.300111.6I229 R230 F233 E273 L274 G280 F281I229-Q277 HydrophobicContact CG2-CG 4.4Å; R230-Q277 HydrophobicContact CG-CG 4.46Å; F233-Q277 HydrophobicContact CD1-CB 4.5Å; F233-Q277 HydrophobicContact CD2-CB 3.35Å; F233-Q277 HydrophobicContact CD2-CG 3.59Å; F233-Q277 HydrophobicContact CE2-CB 3.4Å; F233-Q277 VanDerWaalsContact CE2-CB 3.4Å; F233-Q277 HydrophobicContact CE2-CG 4.01Å; F233-Q277 HydrophobicContact CG-CB 3.91Å; F233-Q277 HydrophobicContact CG-CG 4.29Å; F233-Q277 HydrophobicContact CZ-CB 4Å; E273-Q277 WeakPolarHBondContact O-CG 3.45Å; E273-Q277 PolarHBondContact O-N 3.38Å; E273-Q277 PolarHBondContact OE1-NE2 2.92Å; L274-Q277 PolarHBondContact O-N 2.87Å; Q277-G280 PolarHBondContact O-N 3.34Å; Q277-F281 WeakPolarHBondContact O-CD2 3.38Å; Q277-F281 WeakPolarHBondContact O-CE2 3.3Å; Q277-F281 PolarHBondContact O-N 2.94Å
278M84.4Confident78.7Confident8 Ų856.1 Ų56.14%0.03929%0.286CS..Hα-helixtrans-63.3-43.2175.1-72.6177.77800112.9F233 L274 L275 F281 M289 M291 L303 R308 L309F233-M278 HydrophobicContact CZ-CG 4.44Å; L274-M278 HydrophobicContact CD1-CG 4.41Å; L274-M278 HydrophobicContact CD1-SD 4.4Å; L274-M278 HydrophobicContact CG-SD 4.19Å; L274-M278 VanDerWaalsContact O-CG 3.26Å; L274-M278 WeakPolarHBondContact O-CG 3.36Å; L274-M278 PolarHBondContact O-N 3.3Å; L275-M278 PolarHBondContact O-N 3.19Å; M278-F281 PolarHBondContact O-N 3.07Å; M278-M289 HydrophobicContact CE-SD 3.86Å; M278-M289 HydrophobicContact CG-CE 4.17Å; M278-M289 HydrophobicContact CG-SD 4.12Å; M278-M289 HydrophobicContact SD-SD 3.98Å; M278-M291 HydrophobicContact CE-CE 3.84Å; M278-M291 HydrophobicContact SD-CE 3.51Å; M278-M291 VanDerWaalsContact SD-CE 3.51Å; M278-L303 HydrophobicContact SD-CD2 4.31Å; M278-R308 HydrophobicContact CE-CB 3.83Å; M278-L309 HydrophobicContact CE-CD2 4.14Å; M278-L309 HydrophobicContact CE-CG 4.25Å
279D79.8Confident78.9Confident74 Ų7453.5 Ų53.540%0.39627%0.274SS..Hα-helixtrans-69.4-37.9177.4-72.4-13.8000111.4L275 N276 F281 R308L275-D279 PolarHBondContact O-N 3.41Å; N276-D279 PolarHBondContact O-N 3.32Å; D279-F281 PolarHBondContact O-N 3.41Å; D279-R308 VanDerWaalsContact OD1-CG 3.25Å; D279-R308 WeakPolarHBondContact OD1-CG 3.49Å; D279-R308 IonicContact OD1-CZ 2.83Å; D279-R308 IonicContact OD1-NE 3.88Å; D279-R308 PolarHBondContact OD1-NE 3.45Å; D279-R308 IonicContact OD1-NH2 3.45Å; D279-R308 IonicContact OD2-CZ 3.08Å; D279-R308 IonicContact OD2-NE 3.66Å; D279-R308 PolarHBondContact OD2-NE 2.9Å; D279-R308 IonicContact OD2-NH2 3.76Å; D279-R308 PolarHBondContact OD2-NH2 3.35Å
280G71Confident79.2Confident62 Ų6247.4 Ų47.464%0.63925%0.251SS*.THydrogen-bonded Turntrans-68.7-4.3177.800000115.1N276 Q277 D282N276-G280 PolarHBondContact O-N 2.83Å; Q277-G280 PolarHBondContact O-N 3.34Å; G280-D282 PolarHBondContact O-N 3.12Å
281F65Low79.5Confident28 Ų2847.3 Ų47.312%0.12325%0.251CS..  trans-69.4112168.1-86.2-82.9000110.6K182 F233 R237 Q277 M278 D279 H285 V287K182-F281 HydrophobicContact CD-CB 4.35Å; K182-F281 PolarHBondContact NZ-O 2.88Å; F233-F281 AromaticContact CD1-CE2 3.42Å; F233-F281 HydrophobicContact CD1-CE2 3.42Å; F233-F281 VanDerWaalsContact CD1-CE2 3.42Å; F233-F281 AromaticContact CD1-CZ 3.49Å; F233-F281 HydrophobicContact CD1-CZ 3.49Å; F233-F281 VanDerWaalsContact CD1-CZ 3.49Å; F233-F281 AromaticContact CE1-CE2 3.38Å; F233-F281 HydrophobicContact CE1-CE2 3.38Å; F233-F281 AromaticContact CE1-CZ 3.81Å; F233-F281 HydrophobicContact CE1-CZ 3.81Å; F233-F281 HydrophobicContact CG-CE2 4.41Å; F233-F281 HydrophobicContact CZ-CE2 4.37Å; R237-F281 HydrophobicContact CG-CE1 4.48Å; Q277-F281 WeakPolarHBondContact O-CD2 3.38Å; Q277-F281 WeakPolarHBondContact O-CE2 3.3Å; Q277-F281 PolarHBondContact O-N 2.94Å; M278-F281 PolarHBondContact O-N 3.07Å; D279-F281 PolarHBondContact O-N 3.41Å; F281-H285 HydrophobicContact CD1-CB 4.09Å; F281-H285 HydrophobicContact CE1-CB 4.47Å; F281-V287 HydrophobicContact CD1-CB 4.49Å; F281-V287 HydrophobicContact CE1-CB 3.63Å; F281-V287 HydrophobicContact CE1-CG1 3.88Å; F281-V287 HydrophobicContact CE1-CG2 4.11Å; F281-V287 HydrophobicContact CZ-CB 4.21Å; F281-V287 HydrophobicContact CZ-CG1 3.92Å
282D57.5Low79.7Confident117 Ų11747.2 Ų47.263%0.62625%0.25SS*.  trans-58139.6158-87.9-29.1000109.6G280 L284 H285G280-D282 PolarHBondContact O-N 3.12Å; D282-L284 PolarHBondContact O-N 3.31Å; D282-H285 PolarHBondContact O-N 3.09Å
283T53.6Low79.9Confident63 Ų6342.6 Ų42.639%0.38723%0.228SC..THydrogen-bonded Turntrans-60.3-10.5-176.451.50000114I179I179-T283 HydrophobicContact CG2-CG2 3.41Å; I179-T283 VanDerWaalsContact CG2-CG2 3.41Å
284L50.1Low79.9Confident138 Ų13843.5 Ų43.572%0.72323%0.234SC*.THydrogen-bonded Turntrans-93-9.3-176.3-116.175.6000114.9D282D282-L284 PolarHBondContact O-N 3.31Å
285H62Low79.8Confident64 Ų6449.8 Ų49.830%0.29626%0.258SS..  trans-76.9135.7-177-66.2-47000112F281 D282 V287F281-H285 HydrophobicContact CD1-CB 4.09Å; F281-H285 HydrophobicContact CE1-CB 4.47Å; D282-H285 PolarHBondContact O-N 3.09Å; H285-V287 PolarHBondContact O-N 3.47Å
286R78.5Confident79.7Confident134 Ų13452.2 Ų52.251%0.50627%0.274SS..SBendtrans-7934.1176.4-62.4-176.7178.4-171.3-2.4112.3L167 Q240 P241 C242L167-R286 HydrophobicContact CD2-CB 3.88Å; L167-R286 HydrophobicContact CD2-CG 4.5Å; Q240-R286 HydrophobicContact CB-CB 4.32Å; Q240-R286 HydrophobicContact CG-CB 4.48Å; Q240-R286 VanDerWaalsContact OE1-N 3.1Å; P241-R286 WeakPolarHBondContact CA-O 3.43Å; P241-R286 HydrophobicContact CB-CB 4.2Å; C242-R286 PolarHBondContact N-O 3.49Å
287V85.8Confident79.6Confident10 Ų1053.4 Ų53.46%0.06128%0.28CS..EExtended strand (participates in β ladder)trans-108.7126.9176.4-1760000107.7A236 Q240 C242 I244 F281 H285A236-V287 HydrophobicContact CB-CG1 4.03Å; A236-V287 HydrophobicContact CB-CG2 4.49Å; Q240-V287 HydrophobicContact CG-CG2 3.64Å; C242-V287 VanDerWaalsContact O-CA 3.3Å; C242-V287 WeakPolarHBondContact O-CA 3.33Å; I244-V287 HydrophobicContact CD1-CG1 3.95Å; I244-V287 HydrophobicContact CG1-CG1 4.31Å; F281-V287 HydrophobicContact CD1-CB 4.49Å; F281-V287 HydrophobicContact CE1-CB 3.63Å; F281-V287 HydrophobicContact CE1-CG1 3.88Å; F281-V287 HydrophobicContact CE1-CG2 4.11Å; F281-V287 HydrophobicContact CZ-CB 4.21Å; F281-V287 HydrophobicContact CZ-CG1 3.92Å; H285-V287 PolarHBondContact O-N 3.47Å
288K87.9Confident79.5Confident13 Ų1353.8 Ų53.86%0.05729%0.285CS..EExtended strand (participates in β ladder)trans-120149.1177.9-63.1-60.3-178-173.30110.3I163 L167 P181 C242 I243 I244I163-K288 HydrophobicContact CG2-CB 4.29Å; I163-K288 HydrophobicContact CG2-CG 4.39Å; L167-K288 HydrophobicContact CD1-CG 4.27Å; L167-K288 HydrophobicContact CD2-CG 4.46Å; L167-K288 HydrophobicContact CG-CG 4.32Å; P181-K288 PolarHBondContact O-NZ 3.2Å; C242-K288 PolarHBondContact O-N 3.45Å; I243-K288 WeakPolarHBondContact CA-O 3.4Å; I244-K288 PolarHBondContact N-O 2.97Å
289M89.6Confident79.6Confident11 Ų1153.4 Ų53.45%0.05428%0.283CS..EExtended strand (participates in β ladder)trans-119.3134.7-179.8-174.2174.7-75.100111.4G183 C184 F233 I244 L274 M278 M291G183-M289 CarbonylContact C-O 3.56Å; G183-M289 WeakPolarHBondContact CA-O 3.33Å; C184-M289 PolarHBondContact N-O 2.99Å; F233-M289 HydrophobicContact CE1-CE 3.24Å; F233-M289 HydrophobicContact CE2-CE 4.48Å; F233-M289 HydrophobicContact CZ-CE 3.19Å; I244-M289 HydrophobicContact CD1-CE 4.36Å; I244-M289 HydrophobicContact CG2-CE 4.39Å; I244-M289 CarbonylContact O-C 3.53Å; I244-M289 WeakPolarHBondContact O-CA 3.22Å; L274-M289 HydrophobicContact CD1-CE 4.35Å; M278-M289 HydrophobicContact CE-SD 3.86Å; M278-M289 HydrophobicContact CG-CE 4.17Å; M278-M289 HydrophobicContact CG-SD 4.12Å; M278-M289 HydrophobicContact SD-SD 3.98Å; M289-M291 HydrophobicContact CG-CE 4.38Å; M289-M291 HydrophobicContact CG-CG 4.2Å; M289-M291 HydrophobicContact SD-CE 3.22Å; M289-M291 WeakPolarHBondContact SD-CE 3.11Å; M289-M291 HydrophobicContact SD-CG 4.21Å; M289-M291 HydrophobicContact SD-SD 4.49Å
290I92.2Very high79.9Confident0 Ų051.5 Ų51.50%027%0.273CS..EExtended strand (participates in β ladder)trans-120.6125.3170.7-54.7175000107L159 I163 C184 L186 A198 I243 I244 F245 M246L159-I290 HydrophobicContact CD2-CD1 4.44Å; I163-I290 HydrophobicContact CD1-CD1 3.31Å; I163-I290 HydrophobicContact CD1-CG1 3.34Å; C184-I290 CarbonylContact O-C 3.53Å; C184-I290 WeakPolarHBondContact O-CA 3.48Å; L186-I290 HydrophobicContact CD1-CG2 3.76Å; L186-I290 HydrophobicContact CG-CG2 3.96Å; A198-I290 HydrophobicContact CB-CD1 4.11Å; A198-I290 HydrophobicContact CB-CG2 4.31Å; I243-I290 HydrophobicContact CG2-CD1 3.83Å; I243-I290 HydrophobicContact CG2-CG1 4.11Å; I244-I290 PolarHBondContact O-N 3.1Å; F245-I290 CarbonylContact C-O 3.57Å; F245-I290 WeakPolarHBondContact CA-O 3.36Å; F245-I290 HydrophobicContact CD2-CB 3.86Å; F245-I290 HydrophobicContact CD2-CG2 3.67Å; F245-I290 HydrophobicContact CE2-CG2 3.96Å; M246-I290 PolarHBondContact N-O 3.4Å
291M93.1Very high80.6Confident0 Ų051.8 Ų51.80%026%0.263CS..EExtended strand (participates in β ladder)trans-112142171.6-63.2-171.5176.700109.5C184 L185 L186 M246 I249 L274 M278 M289 L303 L309C184-M291 PolarHBondContact O-N 2.79Å; L185-M291 CarbonylContact C-O 3.53Å; L185-M291 WeakPolarHBondContact CA-O 3.32Å; L185-M291 HydrophobicContact CD1-CB 3.83Å; L186-M291 PolarHBondContact N-O 2.9Å; M246-M291 HydrophobicContact CB-CG 4.32Å; M246-M291 CarbonylContact O-C 3.52Å; M246-M291 WeakPolarHBondContact O-CA 3.33Å; M246-M291 HydrophobicContact SD-CE 4.19Å; I249-M291 HydrophobicContact CD1-CE 4.33Å; I249-M291 HydrophobicContact CD1-SD 4.01Å; I249-M291 HydrophobicContact CG1-SD 3.78Å; I249-M291 HydrophobicContact CG2-CB 4.36Å; L274-M291 HydrophobicContact CD1-CE 4.46Å; L274-M291 HydrophobicContact CD2-CE 3.94Å; L274-M291 HydrophobicContact CG-CE 4.38Å; M278-M291 HydrophobicContact CE-CE 3.84Å; M278-M291 HydrophobicContact SD-CE 3.51Å; M278-M291 VanDerWaalsContact SD-CE 3.51Å; M289-M291 HydrophobicContact CG-CE 4.38Å; M289-M291 HydrophobicContact CG-CG 4.2Å; M289-M291 HydrophobicContact SD-CE 3.22Å; M289-M291 WeakPolarHBondContact SD-CE 3.11Å; M289-M291 HydrophobicContact SD-CG 4.21Å; M289-M291 HydrophobicContact SD-SD 4.49Å; M291-L303 HydrophobicContact CE-CD2 4.21Å; M291-L303 HydrophobicContact SD-CD2 4.4Å; M291-L309 HydrophobicContact CG-CD2 4.15Å; M291-L309 HydrophobicContact SD-CD1 3.93Å; M291-L309 HydrophobicContact SD-CD2 3.88Å; M291-L309 HydrophobicContact SD-CG 4.38Å
292A93.3Very high81.6Confident1 Ų151.8 Ų51.81%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-120.4136.1173.400000111.2L186 K194 F245 M246 E248 I249L186-A292 HydrophobicContact CB-CB 4.39Å; L186-A292 CarbonylContact O-C 3.58Å; L186-A292 VanDerWaalsContact O-CA 3.32Å; L186-A292 WeakPolarHBondContact O-CA 3.22Å; K194-A292 HydrophobicContact CB-CB 4.27Å; K194-A292 HydrophobicContact CD-CB 4.45Å; F245-A292 HydrophobicContact CE2-CB 3.98Å; F245-A292 HydrophobicContact CZ-CB 3.95Å; M246-A292 PolarHBondContact O-N 3.24Å; E248-A292 PolarHBondContact N-O 2.85Å; I249-A292 WeakPolarHBondContact CG2-O 3.22Å; I249-A292 PolarHBondContact N-O 3.29Å; I249-A292 VanDerWaalsContact N-O 3.09Å
293T91.6Very high82.8Confident2 Ų246.3 Ų46.31%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-136148.9173-175.80000111L185 L186 Y187 K194 R295 P296 L299L185-T293 HydrophobicContact CD1-CG2 4.13Å; L186-T293 PolarHBondContact O-N 2.81Å; Y187-T293 WeakPolarHBondContact CA-O 3.48Å; K194-T293 WeakPolarHBondContact CE-O 3.44Å; T293-R295 PolarHBondContact OG1-N 2.92Å; T293-R295 PolarHBondContact OG1-O 3.49Å; T293-R295 VanDerWaalsContact OG1-O 3.12Å; T293-P296 HydrophobicContact CG2-CB 4.4Å; T293-L299 HydrophobicContact CG2-CD1 3.75Å
294N90.6Very high84.3Confident56 Ų5645.3 Ų45.330%0.29923%0.231SC..SBendtrans-93.8-19.7167.6-62.5-43.7000112.3G188G188-N294 WeakPolarHBondContact O-CA 3.35Å
295R87.6Confident86Confident132 Ų13246.9 Ų46.950%0.49823%0.228SC..  trans-125.787.2-175.1-67.8-176.5176.5-173.3-1.4110T293 D297 T298T293-R295 PolarHBondContact OG1-N 2.92Å; T293-R295 PolarHBondContact OG1-O 3.49Å; T293-R295 VanDerWaalsContact OG1-O 3.12Å; R295-D297 WeakPolarHBondContact CA-OD1 3.38Å; R295-D297 WeakPolarHBondContact CB-OD1 3.47Å; R295-D297 PolarHBondContact O-N 3.25Å; R295-T298 HydrophobicContact CB-CG2 4.1Å; R295-T298 PolarHBondContact O-OG1 3.42Å; R295-T298 VanDerWaalsContact O-OG1 3.05Å
296P85.9Confident86.8Confident54 Ų5449.3 Ų49.335%0.35125%0.249SC..SBendtrans-70.4-22.2-179.929.9-36.2000113.1Y187 T293 L299Y187-P296 HydrophobicContact CD2-CB 3.97Å; Y187-P296 HydrophobicContact CD2-CG 3.86Å; Y187-P296 HydrophobicContact CG-CB 4.24Å; T293-P296 HydrophobicContact CG2-CB 4.4Å; P296-L299 PolarHBondContact O-N 2.82Å
297D85.9Confident86.6Confident118 Ų11844.4 Ų44.463%0.63124%0.24SC*.SBendtrans-68.6-34.3179.958-55.9000113.1R295 L299R295-D297 WeakPolarHBondContact CA-OD1 3.38Å; R295-D297 WeakPolarHBondContact CB-OD1 3.47Å; R295-D297 PolarHBondContact O-N 3.25Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.81Å
298T85.3Confident86.5Confident44 Ų4445.4 Ų45.427%0.2724%0.243SC..SBendtrans-77.1-15.6-18060.70000112.7G254 R255 R295G254-T298 CarbonylContact C-O 3.6Å; G254-T298 VanDerWaalsContact CA-O 3.24Å; G254-T298 WeakPolarHBondContact CA-O 3.47Å; R255-T298 PolarHBondContact N-O 2.92Å; R295-T298 HydrophobicContact CB-CG2 4.1Å; R295-T298 PolarHBondContact O-OG1 3.42Å; R295-T298 VanDerWaalsContact O-OG1 3.05Å
299L85.9Confident86.4Confident1 Ų144.9 Ų44.91%0.00524%0.241CC..BIsolated β-bridgetrans-69.3142.6-173.4-66.1-179.6000113.9L185 I249 D250 G253 R255 T293 P296 D297L185-L299 HydrophobicContact CD1-CD1 4.3Å; L185-L299 HydrophobicContact CD2-CD1 4.01Å; I249-L299 HydrophobicContact CG2-CD1 4.48Å; I249-L299 HydrophobicContact CG2-CD2 3.93Å; D250-L299 HydrophobicContact CB-CD2 4.33Å; G253-L299 CarbonylContact O-C 3.45Å; G253-L299 WeakPolarHBondContact O-CA 3.27Å; R255-L299 PolarHBondContact NE-O 3.26Å; T293-L299 HydrophobicContact CG2-CD1 3.75Å; P296-L299 PolarHBondContact O-N 2.82Å; D297-L299 VanDerWaalsContact C-N 3.28Å; D297-L299 PolarHBondContact O-N 2.81Å
300D86.3Confident86.1Confident34 Ų3447.2 Ų47.218%0.18225%0.253CS..  trans-63.1126.4173-166.1-47.6000110.2G253 L271 A302 L303G253-D300 WeakPolarHBondContact O-CB 3.41Å; G253-D300 PolarHBondContact O-N 2.75Å; L271-D300 HydrophobicContact CD2-CB 4.04Å; D300-A302 PolarHBondContact O-N 2.66Å; D300-A302 VanDerWaalsContact O-N 3.11Å; D300-A302 WeakPolarHBondContact OD1-CB 3.39Å; D300-A302 PolarHBondContact OD1-N 2.71Å; D300-L303 WeakPolarHBondContact O-CB 3.41Å; D300-L303 PolarHBondContact O-N 2.97Å
301P85.2Confident85.9Confident67 Ų6753.7 Ų53.744%0.43528%0.278SS..THydrogen-bonded Turntrans-64.8-16.1-179.820.9-23000112.7L303 L304 R305P301-L303 VanDerWaalsContact C-N 3.3Å; P301-L303 PolarHBondContact O-N 3.27Å; P301-L304 PolarHBondContact O-N 3.18Å; P301-R305 PolarHBondContact O-N 3.36Å
302A85.5Confident85.8Confident29 Ų2958.4 Ų58.424%0.2430%0.298CS..THydrogen-bonded Turntrans-61.3-36.217100000112.2L275 D300 L304 R308L275-A302 HydrophobicContact CD1-CB 3.89Å; D300-A302 PolarHBondContact O-N 2.66Å; D300-A302 VanDerWaalsContact O-N 3.11Å; D300-A302 WeakPolarHBondContact OD1-CB 3.39Å; D300-A302 PolarHBondContact OD1-N 2.71Å; A302-L304 VanDerWaalsContact C-N 3.32Å; A302-R308 VanDerWaalsContact O-CD 3.31Å; A302-R308 WeakPolarHBondContact O-CD 3.38Å; A302-R308 PolarHBondContact O-NH1 3.47Å
303L84.3Confident85.7Confident1 Ų158.4 Ų58.41%0.00530%0.298CS..THydrogen-bonded Turntrans-68.2-35.6174.5-75.6166.8000111.6I249 L271 L275 M278 M291 D300 P301 R305 L309I249-L303 HydrophobicContact CG1-CD1 4.48Å; L271-L303 HydrophobicContact CD1-CD1 3.8Å; L271-L303 HydrophobicContact CD1-CD2 4.06Å; L271-L303 HydrophobicContact CD1-CG 3.99Å; L275-L303 HydrophobicContact CD2-CD2 3.38Å; L275-L303 HydrophobicContact CD2-CG 3.92Å; L275-L303 HydrophobicContact CG-CD2 4.42Å; M278-L303 HydrophobicContact SD-CD2 4.31Å; M291-L303 HydrophobicContact CE-CD2 4.21Å; M291-L303 HydrophobicContact SD-CD2 4.4Å; D300-L303 WeakPolarHBondContact O-CB 3.41Å; D300-L303 PolarHBondContact O-N 2.97Å; P301-L303 VanDerWaalsContact C-N 3.3Å; P301-L303 PolarHBondContact O-N 3.27Å; L303-R305 PolarHBondContact O-N 3.01Å; L303-L309 HydrophobicContact CB-CD1 3.98Å; L303-L309 WeakPolarHBondContact O-CB 3.34Å; L303-L309 WeakPolarHBondContact O-CD1 3.18Å; L303-L309 WeakPolarHBondContact O-CG 3.36Å
304L83.9Confident85.7Confident43 Ų4361.5 Ų61.523%0.22531%0.312CS..THydrogen-bonded Turntrans-79.9-0.5-175-61.8178000114.2L185 P301 A302 K312L185-L304 HydrophobicContact CD2-CD2 3.65Å; P301-L304 PolarHBondContact O-N 3.18Å; A302-L304 VanDerWaalsContact C-N 3.32Å; L304-K312 HydrophobicContact CD2-CD 4.38Å; L304-K312 PolarHBondContact O-NZ 3.37Å
305R85.8Confident85.7Confident171 Ų17158.9 Ų58.965%0.64530%0.298SS*.SBendtrans-71.4139.2-179.2-167.5175.4-177.8175.90.4110.5P301 L303 R308P301-R305 PolarHBondContact O-N 3.36Å; L303-R305 PolarHBondContact O-N 3.01Å; R305-R308 PolarHBondContact O-N 3.1Å
306P78.3Confident85.8Confident114 Ų11456.8 Ų56.874%0.7430%0.297SS*.THydrogen-bonded Turntrans-54.6139.5173-24.833.8000111.8
307G75.8Confident85.9Confident31 Ų3157.9 Ų57.932%0.3230%0.299SS..THydrogen-bonded Turntrans99.3-8.6-174.100000114.6K182 D310K182-G307 WeakPolarHBondContact CD-O 3.16Å; G307-D310 WeakPolarHBondContact CA-OD1 3.43Å; G307-D310 PolarHBondContact N-OD1 3.48Å
308R83.4Confident86Confident31 Ų3153 Ų5312%0.11727%0.274CS..THydrogen-bonded Turntrans-117.9-78.3176.5-66.4171.3178.7-179.3-5.3110.1G183 L275 M278 D279 A302 R305G183-R308 PolarHBondContact N-O 2.83Å; L275-R308 VanDerWaalsContact CD2-NH1 3.33Å; M278-R308 HydrophobicContact CE-CB 3.83Å; D279-R308 VanDerWaalsContact OD1-CG 3.25Å; D279-R308 WeakPolarHBondContact OD1-CG 3.49Å; D279-R308 IonicContact OD1-CZ 2.83Å; D279-R308 IonicContact OD1-NE 3.88Å; D279-R308 PolarHBondContact OD1-NE 3.45Å; D279-R308 IonicContact OD1-NH2 3.45Å; D279-R308 IonicContact OD2-CZ 3.08Å; D279-R308 IonicContact OD2-NE 3.66Å; D279-R308 PolarHBondContact OD2-NE 2.9Å; D279-R308 IonicContact OD2-NH2 3.76Å; D279-R308 PolarHBondContact OD2-NH2 3.35Å; A302-R308 VanDerWaalsContact O-CD 3.31Å; A302-R308 WeakPolarHBondContact O-CD 3.38Å; A302-R308 PolarHBondContact O-NH1 3.47Å; R305-R308 PolarHBondContact O-N 3.1Å
309L84.4Confident86.3Confident3 Ų356.8 Ų56.82%0.01629%0.293CS..SBendtrans-102.584.2173.7-63.5173000109.2L185 M278 M291 L303L185-L309 HydrophobicContact CB-CD1 4.17Å; L185-L309 HydrophobicContact CB-CD2 4.37Å; L185-L309 HydrophobicContact CD1-CD1 4.3Å; L185-L309 HydrophobicContact CD2-CD1 4.3Å; L185-L309 HydrophobicContact CG-CD1 4.49Å; M278-L309 HydrophobicContact CE-CD2 4.14Å; M278-L309 HydrophobicContact CE-CG 4.25Å; M291-L309 HydrophobicContact CG-CD2 4.15Å; M291-L309 HydrophobicContact SD-CD1 3.93Å; M291-L309 HydrophobicContact SD-CD2 3.88Å; M291-L309 HydrophobicContact SD-CG 4.38Å; L303-L309 HydrophobicContact CB-CD1 3.98Å; L303-L309 WeakPolarHBondContact O-CB 3.34Å; L303-L309 WeakPolarHBondContact O-CD1 3.18Å; L303-L309 WeakPolarHBondContact O-CG 3.36Å
310D83.1Confident86.4Confident59 Ų5961.8 Ų61.832%0.31632%0.316SS..  trans-72.8-32.4-174.6-60.9-46.6000112.2P181 K182 G183 G307P181-D310 WeakPolarHBondContact CA-OD2 3.46Å; P181-D310 HydrophobicContact CB-CB 3.95Å; K182-D310 PolarHBondContact N-OD2 3.08Å; G183-D310 PolarHBondContact O-N 3.08Å; G307-D310 WeakPolarHBondContact CA-OD1 3.43Å; G307-D310 PolarHBondContact N-OD1 3.48Å
311R88.5Confident86.6Confident136 Ų13667.8 Ų67.851%0.51334%0.343SS..EExtended strand (participates in β ladder)trans-119.9132.5-176.8-69.5-73.3-169.5172.32.7111.1V162 G183 C184 L185V162-R311 HydrophobicContact CG2-CB 4Å; V162-R311 HydrophobicContact CG2-CG 3.58Å; G183-R311 PolarHBondContact O-N 3.49Å; C184-R311 CarbonylContact C-O 3.51Å; C184-R311 WeakPolarHBondContact CA-O 3.43Å; L185-R311 PolarHBondContact N-O 3.18Å
312K91.2Very high86.9Confident99 Ų9965 Ų6543%0.4333%0.325SS..EExtended strand (participates in β ladder)trans-123.6107.8-177.8-57.8175.4-171.9173.30106.6L185 Y187 L304L185-K312 HydrophobicContact CB-CG 4.49Å; L185-K312 CarbonylContact O-C 3.6Å; L185-K312 WeakPolarHBondContact O-CA 3.46Å; Y187-K312 HydrophobicContact CD1-CB 4.49Å; Y187-K312 HydrophobicContact CE1-CB 3.86Å; L304-K312 HydrophobicContact CD2-CD 4.38Å; L304-K312 PolarHBondContact O-NZ 3.37Å
313I91.9Very high87.2Confident2 Ų264.6 Ų64.61%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-102.6117.2-177.4-54.7-178000107.7Q155 E158 L159 C184 L185 L186 Y187 I315Q155-I313 HydrophobicContact CB-CG2 3.76Å; Q155-I313 HydrophobicContact CG-CG2 3.62Å; E158-I313 HydrophobicContact CB-CD1 3.84Å; E158-I313 HydrophobicContact CB-CG1 4.33Å; E158-I313 WeakPolarHBondContact OE2-CG1 3.38Å; L159-I313 HydrophobicContact CB-CD1 4.01Å; L159-I313 HydrophobicContact CD1-CD1 4.03Å; C184-I313 WeakPolarHBondContact SG-CD1 3.38Å; L185-I313 PolarHBondContact O-N 3.34Å; L186-I313 HydrophobicContact CD2-CB 3.88Å; L186-I313 HydrophobicContact CD2-CD1 4.07Å; L186-I313 HydrophobicContact CD2-CG1 4.35Å; L186-I313 HydrophobicContact CD2-CG2 4.38Å; Y187-I313 VanDerWaalsContact CD1-O 3.32Å; Y187-I313 WeakPolarHBondContact CD1-O 3.37Å; Y187-I313 PolarHBondContact N-O 3.45Å; Y187-I313 VanDerWaalsContact N-O 3.07Å; I313-I315 HydrophobicContact CG2-CG1 4.49Å
314H91.4Very high87.6Confident67 Ų6765.9 Ų65.931%0.3133%0.325SS..EExtended strand (participates in β ladder)trans-83.5126.9172.9-166.1-135.9000110.1Q155 Y187 D316Q155-H314 PolarHBondContact NE2-O 2.76Å; Y187-H314 AromaticContact CD2-CD2 3.37Å; Y187-H314 WeakPolarHBondContact CD2-CD2 3.37Å; Y187-H314 HydrophobicContact CE1-CB 4.12Å; Y187-H314 HydrophobicContact CE2-CB 3.96Å; Y187-H314 AromaticContact CE2-CD2 3.06Å; Y187-H314 WeakPolarHBondContact CE2-CD2 3.47Å; Y187-H314 AromaticContact CE2-CG 3.72Å; Y187-H314 AromaticContact CE2-NE2 3.86Å; Y187-H314 AromaticContact CZ-CD2 3.73Å; Y187-H314 AromaticContact CZ-CG 3.93Å; H314-D316 IonicContact CE1-OD1 3.95Å; H314-D316 PolarHBondContact CE1-OD1 3.5Å; H314-D316 IonicContact CE1-OD2 2.74Å; H314-D316 PolarHBondContact CE1-OD2 3Å; H314-D316 IonicContact CG-OD2 3.66Å; H314-D316 IonicContact ND1-OD1 2.67Å; H314-D316 PolarHBondContact ND1-OD1 3.01Å; H314-D316 VanDerWaalsContact ND1-OD1 3.14Å; H314-D316 IonicContact ND1-OD2 3.86Å; H314-D316 PolarHBondContact ND1-OD2 3.43Å; H314-D316 IonicContact NE2-OD1 2.88Å
315I90.8Very high87.9Confident0 Ų067.1 Ų67.10%033%0.331CS..  trans-110.599.1173.8-57.9169.3000107.1L152 Q155 L186 Y187 P189 T192 K194 I313L152-I315 HydrophobicContact CD1-CG2 4.32Å; L152-I315 HydrophobicContact CD2-CG2 3.88Å; Q155-I315 HydrophobicContact CG-CG1 4.3Å; L186-I315 HydrophobicContact CB-CD1 4.2Å; L186-I315 HydrophobicContact CD2-CD1 4.39Å; Y187-I315 PolarHBondContact O-N 2.74Å; P189-I315 WeakPolarHBondContact CD-O 3.32Å; T192-I315 HydrophobicContact CG2-CG2 4.36Å; K194-I315 HydrophobicContact CB-CD1 4.2Å; K194-I315 HydrophobicContact CG-CD1 3.84Å; I313-I315 HydrophobicContact CG2-CG1 4.49Å
316D88.8Confident88.2Confident88 Ų8860 Ų6047%0.47131%0.306SS..PPolyproline II helixtrans-73.9172.1177.3-81.2-61.4000112.9H314H314-D316 IonicContact CE1-OD1 3.95Å; H314-D316 PolarHBondContact CE1-OD1 3.5Å; H314-D316 IonicContact CE1-OD2 2.74Å; H314-D316 PolarHBondContact CE1-OD2 3Å; H314-D316 IonicContact CG-OD2 3.66Å; H314-D316 IonicContact ND1-OD1 2.67Å; H314-D316 PolarHBondContact ND1-OD1 3.01Å; H314-D316 VanDerWaalsContact ND1-OD1 3.14Å; H314-D316 IonicContact ND1-OD2 3.86Å; H314-D316 PolarHBondContact ND1-OD2 3.43Å; H314-D316 IonicContact NE2-OD1 2.88Å
317L88.3Confident88.8Confident78 Ų7854.6 Ų54.641%0.40827%0.271SS..PPolyproline II helixtrans-62.7144.3167-70.3171.5000110.2P189 N319 N353P189-L317 HydrophobicContact CG-CD2 3.99Å; P189-L317 HydrophobicContact CG-CG 4.1Å; L317-N319 PolarHBondContact O-N 3.22Å; L317-N353 HydrophobicContact CD2-CB 4.11Å
318P89Confident89.5Confident14 Ų1458 Ų589%0.09128%0.277CS..PPolyproline II helixtrans-66.8132.2-176.326.7-34.4000112.1A322 R323 I326 F352P318-A322 HydrophobicContact CB-CB 3.7Å; P318-R323 HydrophobicContact CB-CG 3.83Å; P318-R323 HydrophobicContact CG-CG 3.77Å; P318-R323 PolarHBondContact O-NH1 3.07Å; P318-I326 HydrophobicContact CB-CD1 3.96Å; P318-I326 HydrophobicContact CG-CD1 4.32Å; P318-F352 WeakPolarHBondContact CD-O 3.45Å; P318-F352 VanDerWaalsContact CG-O 3.25Å; P318-F352 WeakPolarHBondContact CG-O 3.4Å
319N89.8Confident89.9Confident125 Ų12559 Ų5967%0.66828%0.284SS*.PPolyproline II helixtrans-63.4167.1169.4-67.8-22.5000111.7L317 Q321 A322 R323L317-N319 PolarHBondContact O-N 3.22Å; N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.46Å; N319-A322 HydrophobicContact CB-CB 4.44Å; N319-A322 CarbonylContact O-C 3.55Å; N319-A322 WeakPolarHBondContact O-CA 3.3Å; N319-A322 WeakPolarHBondContact O-CB 3.46Å; N319-A322 PolarHBondContact O-N 3.3Å; N319-R323 WeakPolarHBondContact O-CG 3.47Å; N319-R323 PolarHBondContact O-N 3.33Å
320E89.8Confident90.2Very high105 Ų10561.6 Ų61.649%0.49130%0.296SS..Hα-helixtrans-52-47.5-180-162-179.7175.800112.8A322 R323 L324 V346E320-A322 PolarHBondContact O-N 3.39Å; E320-R323 PolarHBondContact O-N 3.26Å; E320-L324 PolarHBondContact O-N 2.82Å; E320-V346 HydrophobicContact CB-CG1 4.43Å; E320-V346 HydrophobicContact CG-CG1 3.5Å; E320-V346 VanDerWaalsContact CG-CG1 3.5Å; E320-V346 WeakPolarHBondContact O-CG1 3.4Å
321Q90.3Very high90.4Very high160 Ų16058.8 Ų58.875%0.74828%0.281SS*.Hα-helixtrans-62.7-43.2175.8-67.6-178.6-10.200112.3N319 R323 L324 D325N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.46Å; Q321-R323 VanDerWaalsContact C-N 3.34Å; Q321-R323 PolarHBondContact O-N 2.87Å; Q321-L324 WeakPolarHBondContact O-CB 3.41Å; Q321-L324 PolarHBondContact O-N 2.77Å; Q321-D325 PolarHBondContact O-N 3.02Å
322A90.6Very high90.4Very high8 Ų854.9 Ų54.97%0.06628%0.283CS..Hα-helixtrans-61.8-41.6177.200000111.9P318 N319 E320 L324 D325 I326P318-A322 HydrophobicContact CB-CB 3.7Å; N319-A322 HydrophobicContact CB-CB 4.44Å; N319-A322 CarbonylContact O-C 3.55Å; N319-A322 WeakPolarHBondContact O-CA 3.3Å; N319-A322 WeakPolarHBondContact O-CB 3.46Å; N319-A322 PolarHBondContact O-N 3.3Å; E320-A322 PolarHBondContact O-N 3.39Å; A322-L324 VanDerWaalsContact C-N 3.32Å; A322-L324 PolarHBondContact O-N 2.95Å; A322-D325 PolarHBondContact O-N 3.32Å; A322-I326 WeakPolarHBondContact O-CB 3.45Å; A322-I326 WeakPolarHBondContact O-CD1 3.25Å; A322-I326 WeakPolarHBondContact O-CG1 3.44Å; A322-I326 PolarHBondContact O-N 3.12Å
323R91.8Very high90.2Very high22 Ų2255.7 Ų55.78%0.08330%0.298CS..Hα-helixtrans-62.9-41176.2-66.8-163-70.8-107.517.2111.5P318 N319 E320 Q321 I326 L327 V346 S349 D350 L357P318-R323 HydrophobicContact CB-CG 3.83Å; P318-R323 HydrophobicContact CG-CG 3.77Å; P318-R323 PolarHBondContact O-NH1 3.07Å; N319-R323 WeakPolarHBondContact O-CG 3.47Å; N319-R323 PolarHBondContact O-N 3.33Å; E320-R323 PolarHBondContact O-N 3.26Å; Q321-R323 VanDerWaalsContact C-N 3.34Å; Q321-R323 PolarHBondContact O-N 2.87Å; R323-I326 PolarHBondContact O-N 3.04Å; R323-L327 WeakPolarHBondContact O-CB 3.49Å; R323-L327 PolarHBondContact O-N 3.32Å; R323-V346 HydrophobicContact CB-CG1 3.94Å; R323-V346 HydrophobicContact CB-CG2 4.29Å; R323-S349 WeakPolarHBondContact CD-O 3.44Å; R323-S349 PolarHBondContact NE-O 2.84Å; R323-D350 IonicContact CZ-OD1 3.15Å; R323-D350 IonicContact NH1-OD1 3.75Å; R323-D350 IonicContact NH2-OD1 3.06Å; R323-D350 PolarHBondContact NH2-OD1 2.82Å; R323-D350 VanDerWaalsContact NH2-OD1 3.08Å; R323-L357 HydrophobicContact CB-CD1 3.79Å; R323-L357 HydrophobicContact CG-CD1 3.86Å
324L92.1Very high90.1Very high28 Ų2857.4 Ų57.415%0.14731%0.307CS..Hα-helixtrans-61.3-45.8176.2-174.3157.4000111.3E320 Q321 A322 L327 K328 E343 V346E320-L324 PolarHBondContact O-N 2.82Å; Q321-L324 WeakPolarHBondContact O-CB 3.41Å; Q321-L324 PolarHBondContact O-N 2.77Å; A322-L324 VanDerWaalsContact C-N 3.32Å; A322-L324 PolarHBondContact O-N 2.95Å; L324-L327 PolarHBondContact O-N 3.46Å; L324-K328 HydrophobicContact CD2-CD 3.7Å; L324-K328 HydrophobicContact CD2-CG 4.31Å; L324-K328 VanDerWaalsContact CD2-NZ 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.32Å; L324-K328 PolarHBondContact O-N 3.18Å; L324-E343 HydrophobicContact CD1-CG 3.84Å; L324-V346 HydrophobicContact CB-CG2 3.98Å
325D91.5Very high90Very high69 Ų6958.7 Ų58.737%0.36932%0.32SS..Hα-helixtrans-63.7-48.2177.6-68.5-20.6000112Q321 A322 L327 K328 I329Q321-D325 PolarHBondContact O-N 3.02Å; A322-D325 PolarHBondContact O-N 3.32Å; D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.33Å; D325-K328 PolarHBondContact O-N 3.04Å; D325-I329 WeakPolarHBondContact O-CD1 3.43Å; D325-I329 VanDerWaalsContact O-CG1 3.28Å; D325-I329 WeakPolarHBondContact O-CG1 3.43Å; D325-I329 PolarHBondContact O-N 3.03Å
326I91.5Very high90Very high20 Ų2062 Ų6210%0.10333%0.334CS..Hα-helixtrans-57.1-44.2177.4-68.8164.5000110.6P318 A322 R323 I329 H330 L357P318-I326 HydrophobicContact CB-CD1 3.96Å; P318-I326 HydrophobicContact CG-CD1 4.32Å; A322-I326 WeakPolarHBondContact O-CB 3.45Å; A322-I326 WeakPolarHBondContact O-CD1 3.25Å; A322-I326 WeakPolarHBondContact O-CG1 3.44Å; A322-I326 PolarHBondContact O-N 3.12Å; R323-I326 PolarHBondContact O-N 3.04Å; I326-I329 PolarHBondContact O-N 3.12Å; I326-H330 PolarHBondContact O-CD2 2.76Å; I326-H330 VanDerWaalsContact O-CD2 3.32Å; I326-H330 PolarHBondContact O-N 3.35Å; I326-L357 HydrophobicContact CB-CD1 3.94Å; I326-L357 HydrophobicContact CD1-CD1 4.22Å; I326-L357 HydrophobicContact CG2-CB 3.92Å; I326-L357 HydrophobicContact CG2-CD1 3.75Å
327L91.3Very high89.9Confident1 Ų163.5 Ų63.51%0.00534%0.338CS..Hα-helixtrans-69.5-37.9-178.2-163142.6000111.4R323 L324 D325 A331 Y342 I345 L357R323-L327 WeakPolarHBondContact O-CB 3.49Å; R323-L327 PolarHBondContact O-N 3.32Å; L324-L327 PolarHBondContact O-N 3.46Å; D325-L327 VanDerWaalsContact C-N 3.27Å; D325-L327 PolarHBondContact O-N 3.33Å; L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.94Å; L327-Y342 HydrophobicContact CD2-CD1 3.08Å; L327-Y342 HydrophobicContact CD2-CE1 3.55Å; L327-Y342 HydrophobicContact CD2-CG 4.02Å; L327-I345 HydrophobicContact CD1-CG2 3.61Å; L327-L357 HydrophobicContact CD1-CD2 4.06Å
328K90.6Very high89.7Confident104 Ų10462.8 Ų62.845%0.45235%0.349SS..Hα-helixtrans-60.8-44172.1-78.3-179.8179172.60112.3L324 D325 A331 G332 Y342L324-K328 HydrophobicContact CD2-CD 3.7Å; L324-K328 HydrophobicContact CD2-CG 4.31Å; L324-K328 VanDerWaalsContact CD2-NZ 3.32Å; L324-K328 WeakPolarHBondContact O-CG 3.32Å; L324-K328 PolarHBondContact O-N 3.18Å; D325-K328 PolarHBondContact O-N 3.04Å; K328-A331 PolarHBondContact O-N 3.07Å; K328-G332 PolarHBondContact O-N 2.72Å; K328-Y342 HydrophobicContact CG-CD2 3.96Å; K328-Y342 HydrophobicContact CG-CE2 4.17Å; K328-Y342 HydrophobicContact CG-CG 4.4Å
329I91.2Very high89.3Confident51 Ų5171.4 Ų71.426%0.26239%0.389SS..Hα-helixtrans-61.8-52.8179.2-67.3160.6000110.2D325 I326 A331 G332D325-I329 WeakPolarHBondContact O-CD1 3.43Å; D325-I329 VanDerWaalsContact O-CG1 3.28Å; D325-I329 WeakPolarHBondContact O-CG1 3.43Å; D325-I329 PolarHBondContact O-N 3.03Å; I326-I329 PolarHBondContact O-N 3.12Å; I329-A331 VanDerWaalsContact C-N 3.3Å; I329-A331 PolarHBondContact O-N 3.09Å; I329-G332 PolarHBondContact O-N 3.34Å; I329-G332 VanDerWaalsContact O-N 3.11Å
330H89.9Confident89.2Confident57 Ų5766.3 Ų66.326%0.26436%0.361SS..Hα-helixtrans-69.6-27.2-179.3-72.4-47.4000113.9I326 G332 P333 C361I326-H330 PolarHBondContact O-CD2 2.76Å; I326-H330 VanDerWaalsContact O-CD2 3.32Å; I326-H330 PolarHBondContact O-N 3.35Å; H330-G332 VanDerWaalsContact C-N 3.34Å; H330-P333 WeakPolarHBondContact O-CD 3.25Å; H330-C361 HydrophobicContact CB-CB 4.27Å
331A89.3Confident89.2Confident0 Ų065.2 Ų65.20%036%0.359CS..Hα-helixtrans-77.2-21.4173.300000111.7L327 K328 I329 I334 K336 Y342 F381L327-A331 WeakPolarHBondContact O-CB 3.44Å; L327-A331 PolarHBondContact O-N 2.94Å; K328-A331 PolarHBondContact O-N 3.07Å; I329-A331 VanDerWaalsContact C-N 3.3Å; I329-A331 PolarHBondContact O-N 3.09Å; A331-I334 WeakPolarHBondContact O-CB 3.31Å; A331-I334 PolarHBondContact O-N 2.67Å; A331-K336 WeakPolarHBondContact O-CE 3.4Å; A331-K336 PolarHBondContact O-NZ 3.5Å; A331-Y342 HydrophobicContact CB-CE1 4.07Å; A331-F381 HydrophobicContact CB-CZ 4.31Å
332G87.6Confident89.2Confident55 Ų5559.4 Ų59.457%0.56733%0.33SS*.THydrogen-bonded Turntrans-44.7-49.8179.900000115.8K328 I329 H330 I334K328-G332 PolarHBondContact O-N 2.72Å; I329-G332 PolarHBondContact O-N 3.34Å; I329-G332 VanDerWaalsContact O-N 3.11Å; H330-G332 VanDerWaalsContact C-N 3.34Å; G332-I334 VanDerWaalsContact C-N 3.29Å; G332-I334 PolarHBondContact O-N 2.79Å
333P88.1Confident89.2Confident115 Ų11564.5 Ų64.575%0.74735%0.353SS*.THydrogen-bonded Turntrans-75.6-9.1179.328.6-36.6000115.1H330H330-P333 WeakPolarHBondContact O-CD 3.25Å
334I89.4Confident89.1Confident38 Ų3864.8 Ų64.820%0.19536%0.359CS..SBendtrans-84.3134.2-176-60179.8000109.9A331 G332 K336 C361 V376A331-I334 WeakPolarHBondContact O-CB 3.31Å; A331-I334 PolarHBondContact O-N 2.67Å; G332-I334 VanDerWaalsContact C-N 3.29Å; G332-I334 PolarHBondContact O-N 2.79Å; I334-K336 HydrophobicContact CG2-CG 4.49Å; I334-K336 PolarHBondContact O-N 2.93Å; I334-C361 HydrophobicContact CD1-CB 3.8Å; I334-C361 WeakPolarHBondContact CD1-O 3.37Å; I334-V376 HydrophobicContact CG2-CB 4.04Å; I334-V376 HydrophobicContact CG2-CG2 3.45Å; I334-V376 VanDerWaalsContact CG2-CG2 3.45Å
335T89.5Confident88.9Confident94 Ų9463.4 Ų63.458%0.57735%0.352SS*.  trans-70117.5170.946.50000110D374 F375 V376T335-D374 PolarHBondContact OG1-O 3.43Å; T335-F375 WeakPolarHBondContact O-CA 3.08Å; T335-V376 PolarHBondContact O-N 2.94Å
336K90Very high88.9Confident69 Ų6960.2 Ų60.230%0.334%0.335SS..BIsolated β-bridgetrans-117147.6-175.5-61.9160-167.4170.40110A331 I334 I340 Y342A331-K336 WeakPolarHBondContact O-CE 3.4Å; A331-K336 PolarHBondContact O-NZ 3.5Å; I334-K336 HydrophobicContact CG2-CG 4.49Å; I334-K336 PolarHBondContact O-N 2.93Å; K336-I340 HydrophobicContact CB-CD1 3.89Å; K336-I340 HydrophobicContact CD-CD1 3.75Å; K336-I340 HydrophobicContact CG-CD1 3.58Å; K336-Y342 WeakPolarHBondContact CD-OH 3.38Å; K336-Y342 WeakPolarHBondContact CE-OH 3.48Å; K336-Y342 PolarHBondContact NZ-OH 2.72Å
337H87.4Confident88.9Confident120 Ų12065.8 Ų65.856%0.55636%0.359SS*.  trans-122.5125.8172.3-16980.1000110.3F375 V376H337-F375 HydrophobicContact CB-CB 3.88Å; H337-F375 HydrophobicContact CB-CD1 4.33Å; H337-F375 HydrophobicContact CB-CD2 3.18Å; H337-F375 HydrophobicContact CB-CE2 3.71Å; H337-F375 HydrophobicContact CB-CG 3.54Å; H337-F375 HydrophobicContact CB-CZ 4.46Å; H337-F375 AromaticContact CG-CD2 3.9Å; H337-F375 AromaticContact CG-CE2 3.95Å; H337-V376 PolarHBondContact N-O 3.29Å; H337-V376 VanDerWaalsContact N-O 3.15Å
338G82.2Confident88.7Confident63 Ų6369.7 Ų69.765%0.64938%0.379SS*.SBendtrans83.8-179.6-174.100000114
339E82.6Confident88.5Confident196 Ų19664.8 Ų64.892%0.91636%0.358SS*.  trans-84.4120.1174.1-67-167.5163.500109.9
340I86.6Confident88.2Confident18 Ų1868.2 Ų68.29%0.09238%0.377CS..  trans-91.7119.5176.7-58.7-168.6000108.2K336 Y342 I345 Q378 F381K336-I340 HydrophobicContact CB-CD1 3.89Å; K336-I340 HydrophobicContact CD-CD1 3.75Å; K336-I340 HydrophobicContact CG-CD1 3.58Å; I340-Y342 HydrophobicContact CB-CE1 4.07Å; I340-Y342 HydrophobicContact CB-CE2 4.43Å; I340-Y342 HydrophobicContact CG2-CD1 3.71Å; I340-Y342 HydrophobicContact CG2-CE1 3.48Å; I340-Y342 VanDerWaalsContact CG2-CE1 3.48Å; I340-Y342 HydrophobicContact CG2-CG 4.43Å; I340-Y342 PolarHBondContact O-N 3.39Å; I340-I345 HydrophobicContact CG2-CD1 3.74Å; I340-Q378 VanDerWaalsContact CA-OE1 3.29Å; I340-F381 HydrophobicContact CD1-CD2 3.82Å; I340-F381 HydrophobicContact CD1-CE2 3.48Å; I340-F381 VanDerWaalsContact CD1-CE2 3.48Å; I340-F381 HydrophobicContact CD1-CZ 4.47Å; I340-F381 HydrophobicContact CG2-CD2 4.26Å
341D90.3Very high87.9Confident81 Ų8166.8 Ų66.843%0.43338%0.377SS..  trans-82.295.8172.9-179.64.4000109.4E343 A344 I345 Q378D341-E343 VanDerWaalsContact C-N 3.31Å; D341-E343 WeakPolarHBondContact OD1-CB 3.5Å; D341-E343 PolarHBondContact OD1-N 2.92Å; D341-A344 HydrophobicContact CB-CB 4.33Å; D341-A344 PolarHBondContact OD1-N 3.26Å; D341-A344 WeakPolarHBondContact OD2-CB 3Å; D341-I345 WeakPolarHBondContact O-CG1 3.42Å; D341-Q378 PolarHBondContact O-NE2 3.38Å
342Y90.1Very high87.9Confident39 Ų3967 Ų6715%0.15338%0.378CS..Hα-helixtrans-70.1-25.2176.7-59.2-62.2000113.1L327 K328 A331 K336 I340 I345 V346L327-Y342 HydrophobicContact CD2-CD1 3.08Å; L327-Y342 HydrophobicContact CD2-CE1 3.55Å; L327-Y342 HydrophobicContact CD2-CG 4.02Å; K328-Y342 HydrophobicContact CG-CD2 3.96Å; K328-Y342 HydrophobicContact CG-CE2 4.17Å; K328-Y342 HydrophobicContact CG-CG 4.4Å; A331-Y342 HydrophobicContact CB-CE1 4.07Å; K336-Y342 WeakPolarHBondContact CD-OH 3.38Å; K336-Y342 WeakPolarHBondContact CE-OH 3.48Å; K336-Y342 PolarHBondContact NZ-OH 2.72Å; I340-Y342 HydrophobicContact CB-CE1 4.07Å; I340-Y342 HydrophobicContact CB-CE2 4.43Å; I340-Y342 HydrophobicContact CG2-CD1 3.71Å; I340-Y342 HydrophobicContact CG2-CE1 3.48Å; I340-Y342 VanDerWaalsContact CG2-CE1 3.48Å; I340-Y342 HydrophobicContact CG2-CG 4.43Å; I340-Y342 PolarHBondContact O-N 3.39Å; Y342-I345 HydrophobicContact CD1-CD1 4.24Å; Y342-I345 PolarHBondContact O-N 3.15Å; Y342-V346 WeakPolarHBondContact O-CB 3.48Å; Y342-V346 WeakPolarHBondContact O-CG2 3.39Å; Y342-V346 PolarHBondContact O-N 3.26Å
343E90.8Very high88Confident115 Ų11565.6 Ų65.654%0.53736%0.358SS..Hα-helixtrans-68.2-42179.1-64.4-176.2-177.600110.6L324 D341 I345 V346 K347L324-E343 HydrophobicContact CD1-CG 3.84Å; D341-E343 VanDerWaalsContact C-N 3.31Å; D341-E343 WeakPolarHBondContact OD1-CB 3.5Å; D341-E343 PolarHBondContact OD1-N 2.92Å; E343-I345 VanDerWaalsContact C-N 3.29Å; E343-I345 PolarHBondContact O-N 2.96Å; E343-V346 PolarHBondContact O-N 3.34Å; E343-K347 WeakPolarHBondContact O-CG 3.45Å; E343-K347 PolarHBondContact O-N 3.24Å
344A89.4Confident88Confident27 Ų2760.9 Ų60.922%0.22333%0.33CS..Hα-helixtrans-60-39.5174.300000112.5D341D341-A344 HydrophobicContact CB-CB 4.33Å; D341-A344 PolarHBondContact OD1-N 3.26Å; D341-A344 WeakPolarHBondContact OD2-CB 3Å
345I88.8Confident88Confident0 Ų060.9 Ų60.90%034%0.336CS..Hα-helixtrans-66.9-44.6178.4-64.3167.2000110.2L327 I340 D341 Y342 E343 K347 L348 S349 F381 M382 V385L327-I345 HydrophobicContact CD1-CG2 3.61Å; I340-I345 HydrophobicContact CG2-CD1 3.74Å; D341-I345 WeakPolarHBondContact O-CG1 3.42Å; Y342-I345 HydrophobicContact CD1-CD1 4.24Å; Y342-I345 PolarHBondContact O-N 3.15Å; E343-I345 VanDerWaalsContact C-N 3.29Å; E343-I345 PolarHBondContact O-N 2.96Å; I345-K347 VanDerWaalsContact C-N 3.35Å; I345-K347 PolarHBondContact O-N 3.38Å; I345-L348 PolarHBondContact O-N 3.3Å; I345-L348 VanDerWaalsContact O-N 3.12Å; I345-S349 PolarHBondContact O-N 3.42Å; I345-F381 HydrophobicContact CD1-CB 3.51Å; I345-F381 HydrophobicContact CD1-CD1 4.07Å; I345-F381 HydrophobicContact CD1-CG 3.82Å; I345-F381 HydrophobicContact CG1-CB 4.17Å; I345-M382 HydrophobicContact CG1-SD 4.33Å; I345-V385 HydrophobicContact CG2-CG2 3.56Å
346V90.7Very high88Confident1 Ų157.1 Ų57.11%0.00631%0.312CS..Hα-helixtrans-67.1-34.9-178.2169.50000112.4E320 R323 L324 Y342 E343 L348 S349E320-V346 HydrophobicContact CB-CG1 4.43Å; E320-V346 HydrophobicContact CG-CG1 3.5Å; E320-V346 VanDerWaalsContact CG-CG1 3.5Å; E320-V346 WeakPolarHBondContact O-CG1 3.4Å; R323-V346 HydrophobicContact CB-CG1 3.94Å; R323-V346 HydrophobicContact CB-CG2 4.29Å; L324-V346 HydrophobicContact CB-CG2 3.98Å; Y342-V346 WeakPolarHBondContact O-CB 3.48Å; Y342-V346 WeakPolarHBondContact O-CG2 3.39Å; Y342-V346 PolarHBondContact O-N 3.26Å; E343-V346 PolarHBondContact O-N 3.34Å; V346-L348 PolarHBondContact O-N 3.09Å; V346-S349 WeakPolarHBondContact CA-OG 3.43Å; V346-S349 PolarHBondContact O-N 2.92Å; V346-S349 VanDerWaalsContact O-N 3.14Å; V346-S349 PolarHBondContact O-OG 3.29Å
347K90.5Very high88.1Confident138 Ų13853.9 Ų53.960%0.630%0.298SS*.Hα-helixtrans-61.3-28.8173.2-76172-177.6166.90112.8E343 I345E343-K347 WeakPolarHBondContact O-CG 3.45Å; E343-K347 PolarHBondContact O-N 3.24Å; I345-K347 VanDerWaalsContact C-N 3.35Å; I345-K347 PolarHBondContact O-N 3.38Å
348L87.2Confident88.3Confident83 Ų8355.3 Ų55.344%0.43530%0.298SS..Hα-helixtrans-89.9-13.3177.2-67.8172.2000113.4I345 V346 D350 M382 V385I345-L348 PolarHBondContact O-N 3.3Å; I345-L348 VanDerWaalsContact O-N 3.12Å; V346-L348 PolarHBondContact O-N 3.09Å; L348-D350 VanDerWaalsContact C-N 3.34Å; L348-D350 PolarHBondContact O-N 3.23Å; L348-M382 HydrophobicContact CD1-CE 3.37Å; L348-M382 HydrophobicContact CD1-SD 3.62Å; L348-V385 HydrophobicContact CB-CG1 3.75Å
349S86.4Confident88.8Confident0 Ų056.1 Ų56.10%029%0.288CS..  trans-9739.6-176.676.80000112.4R323 I345 V346 G351 F352R323-S349 WeakPolarHBondContact CD-O 3.44Å; R323-S349 PolarHBondContact NE-O 2.84Å; I345-S349 PolarHBondContact O-N 3.42Å; V346-S349 WeakPolarHBondContact CA-OG 3.43Å; V346-S349 PolarHBondContact O-N 2.92Å; V346-S349 VanDerWaalsContact O-N 3.14Å; V346-S349 PolarHBondContact O-OG 3.29Å; S349-G351 PolarHBondContact O-N 3.39Å; S349-F352 WeakPolarHBondContact O-CB 3.25Å; S349-F352 WeakPolarHBondContact O-CG 3.46Å; S349-F352 PolarHBondContact O-N 2.89Å
350D85.4Confident89.3Confident124 Ų12446.8 Ų46.866%0.66324%0.244SC*.THydrogen-bonded Turntrans-67.7137.1-175.1-162.526.6000112.1R323 L348 F352R323-D350 IonicContact CZ-OD1 3.15Å; R323-D350 IonicContact NH1-OD1 3.75Å; R323-D350 IonicContact NH2-OD1 3.06Å; R323-D350 PolarHBondContact NH2-OD1 2.82Å; R323-D350 VanDerWaalsContact NH2-OD1 3.08Å; L348-D350 VanDerWaalsContact C-N 3.34Å; L348-D350 PolarHBondContact O-N 3.23Å; D350-F352 WeakPolarHBondContact O-CD1 3.38Å; D350-F352 PolarHBondContact O-N 3.19Å
351G84.7Confident89.5Confident27 Ų2746.1 Ų46.128%0.27824%0.241SC..THydrogen-bonded Turntrans6810.3-174.600000115.7S349 K392S349-G351 PolarHBondContact O-N 3.39Å; G351-K392 PolarHBondContact O-NZ 2.97Å
352F88.7Confident89.7Confident4 Ų445.9 Ų45.92%0.01824%0.243CC..  trans-70.8140.1178.4-79.729.7000111.4P318 S349 D350 D356 L357 V360 V385 V388 A389 K392P318-F352 WeakPolarHBondContact CD-O 3.45Å; P318-F352 VanDerWaalsContact CG-O 3.25Å; P318-F352 WeakPolarHBondContact CG-O 3.4Å; S349-F352 WeakPolarHBondContact O-CB 3.25Å; S349-F352 WeakPolarHBondContact O-CG 3.46Å; S349-F352 PolarHBondContact O-N 2.89Å; D350-F352 WeakPolarHBondContact O-CD1 3.38Å; D350-F352 PolarHBondContact O-N 3.19Å; F352-D356 HydrophobicContact CB-CB 3.97Å; F352-D356 HydrophobicContact CD2-CB 3.83Å; F352-D356 HydrophobicContact CG-CB 4Å; F352-L357 HydrophobicContact CB-CD2 4.11Å; F352-L357 HydrophobicContact CB-CG 4.23Å; F352-L357 HydrophobicContact CD2-CD2 4.16Å; F352-V360 HydrophobicContact CD2-CG2 4.11Å; F352-V360 HydrophobicContact CE2-CG2 3.7Å; F352-V385 HydrophobicContact CE2-CG1 4.36Å; F352-V385 HydrophobicContact CZ-CG1 4.31Å; F352-V388 HydrophobicContact CD2-CG1 4.26Å; F352-V388 HydrophobicContact CE2-CB 3.97Å; F352-V388 HydrophobicContact CE2-CG1 3.56Å; F352-V388 HydrophobicContact CZ-CB 4.19Å; F352-V388 HydrophobicContact CZ-CG1 3.88Å; F352-A389 HydrophobicContact CE1-CB 4.22Å; F352-A389 HydrophobicContact CZ-CB 3.91Å; F352-K392 HydrophobicContact CD1-CD 4.2Å; F352-K392 HydrophobicContact CE1-CD 4.29Å
353N89.6Confident89.8Confident26 Ų2646.2 Ų46.214%0.13925%0.246CC..  trans-86.8174.517169.138.6000110.4L317 A355 D356 L357L317-N353 HydrophobicContact CD2-CB 4.11Å; N353-A355 VanDerWaalsContact C-N 3.3Å; N353-A355 PolarHBondContact O-N 2.74Å; N353-A355 WeakPolarHBondContact OD1-CA 3.28Å; N353-A355 WeakPolarHBondContact OD1-CB 3.39Å; N353-A355 PolarHBondContact OD1-N 3.22Å; N353-D356 PolarHBondContact N-OD2 3.39Å; N353-D356 PolarHBondContact ND2-OD1 3.24Å; N353-D356 PolarHBondContact ND2-OD2 3.02Å; N353-D356 WeakPolarHBondContact O-CB 3.36Å; N353-D356 PolarHBondContact O-N 3.33Å; N353-D356 PolarHBondContact OD1-N 2.9Å; N353-D356 PolarHBondContact OD1-OD1 2.94Å; N353-D356 PolarHBondContact OD1-OD2 2.97Å; N353-L357 WeakPolarHBondContact O-CG 3.37Å; N353-L357 PolarHBondContact O-N 3.29Å; N353-L357 VanDerWaalsContact O-N 3.15Å
354G87.6Confident89.9Confident15 Ų1540.8 Ų40.816%0.15522%0.22CC..Hα-helixtrans-63.4-35.2179.900000113.3G191 L357 R358G191-G354 WeakPolarHBondContact O-CA 3.33Å; G191-G354 PolarHBondContact O-N 3.02Å; G191-G354 VanDerWaalsContact O-N 3.07Å; G354-L357 PolarHBondContact O-N 3.21Å; G354-R358 PolarHBondContact O-N 2.97Å; G354-R358 VanDerWaalsContact O-N 3.09Å
355A89.1Confident90Very high39 Ų3940.3 Ų40.332%0.32222%0.218SC..Hα-helixtrans-66.6-38.4175.300000112.5G191 N353 R358 N359G191-A355 PolarHBondContact O-N 3.46Å; N353-A355 VanDerWaalsContact C-N 3.3Å; N353-A355 PolarHBondContact O-N 2.74Å; N353-A355 WeakPolarHBondContact OD1-CA 3.28Å; N353-A355 WeakPolarHBondContact OD1-CB 3.39Å; N353-A355 PolarHBondContact OD1-N 3.22Å; A355-R358 WeakPolarHBondContact O-CB 3.39Å; A355-R358 PolarHBondContact O-N 3.32Å; A355-N359 PolarHBondContact O-N 3.13Å; A355-N359 PolarHBondContact O-ND2 2.93Å
356D90.7Very high90.2Very high15 Ų1544.7 Ų44.78%0.0824%0.24CC..Hα-helixtrans-63.5-43.5176.7-60.4-23.7000110.1F352 N353 R358 N359 V360 V388 K392F352-D356 HydrophobicContact CB-CB 3.97Å; F352-D356 HydrophobicContact CD2-CB 3.83Å; F352-D356 HydrophobicContact CG-CB 4Å; N353-D356 PolarHBondContact N-OD2 3.39Å; N353-D356 PolarHBondContact ND2-OD1 3.24Å; N353-D356 PolarHBondContact ND2-OD2 3.02Å; N353-D356 WeakPolarHBondContact O-CB 3.36Å; N353-D356 PolarHBondContact O-N 3.33Å; N353-D356 PolarHBondContact OD1-N 2.9Å; N353-D356 PolarHBondContact OD1-OD1 2.94Å; N353-D356 PolarHBondContact OD1-OD2 2.97Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 2.94Å; D356-N359 CarbonylContact O-C 3.52Å; D356-N359 WeakPolarHBondContact O-CA 3.42Å; D356-N359 WeakPolarHBondContact O-CB 3.46Å; D356-N359 PolarHBondContact O-N 2.91Å; D356-N359 VanDerWaalsContact O-N 3.12Å; D356-V360 WeakPolarHBondContact O-CG2 3.06Å; D356-V360 PolarHBondContact O-N 3.07Å; D356-V388 HydrophobicContact CB-CG1 4.25Å; D356-K392 IonicContact OD2-NZ 2.7Å; D356-K392 PolarHBondContact OD2-NZ 3.49Å
357L91.3Very high90.3Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-65.7-37.2177.3-65.3171.4000112.3R323 I326 L327 F352 N353 G354 N359 V360 C361R323-L357 HydrophobicContact CB-CD1 3.79Å; R323-L357 HydrophobicContact CG-CD1 3.86Å; I326-L357 HydrophobicContact CB-CD1 3.94Å; I326-L357 HydrophobicContact CD1-CD1 4.22Å; I326-L357 HydrophobicContact CG2-CB 3.92Å; I326-L357 HydrophobicContact CG2-CD1 3.75Å; L327-L357 HydrophobicContact CD1-CD2 4.06Å; F352-L357 HydrophobicContact CB-CD2 4.11Å; F352-L357 HydrophobicContact CB-CG 4.23Å; F352-L357 HydrophobicContact CD2-CD2 4.16Å; N353-L357 WeakPolarHBondContact O-CG 3.37Å; N353-L357 PolarHBondContact O-N 3.29Å; N353-L357 VanDerWaalsContact O-N 3.15Å; G354-L357 PolarHBondContact O-N 3.21Å; L357-N359 VanDerWaalsContact C-N 3.32Å; L357-V360 WeakPolarHBondContact O-CB 3.49Å; L357-V360 PolarHBondContact O-N 3.39Å; L357-C361 PolarHBondContact O-N 3.08Å; L357-C361 PolarHBondContact O-SG 2.83Å; L357-C361 VanDerWaalsContact O-SG 3.33Å
358R91.2Very high90.4Very high150 Ų15040.1 Ų40.157%0.56622%0.22SC*.Hα-helixtrans-62.9-41170.3-177.4-178.1174.1177.8-0.2111.4G354 A355 D356 C361 T362G354-R358 PolarHBondContact O-N 2.97Å; G354-R358 VanDerWaalsContact O-N 3.09Å; A355-R358 WeakPolarHBondContact O-CB 3.39Å; A355-R358 PolarHBondContact O-N 3.32Å; D356-R358 VanDerWaalsContact C-N 3.34Å; D356-R358 PolarHBondContact O-N 2.94Å; R358-C361 PolarHBondContact O-N 3.38Å; R358-T362 PolarHBondContact O-N 2.62Å; R358-T362 VanDerWaalsContact O-N 3.07Å; R358-T362 PolarHBondContact O-OG1 3.35Å
359N92.2Very high90.7Very high81 Ų8141.6 Ų41.643%0.43323%0.227SC..Hα-helixtrans-65.1-38.5176.1-70.4-16.6000111.6A355 D356 L357 C361 T362 E363A355-N359 PolarHBondContact O-N 3.13Å; A355-N359 PolarHBondContact O-ND2 2.93Å; D356-N359 CarbonylContact O-C 3.52Å; D356-N359 WeakPolarHBondContact O-CA 3.42Å; D356-N359 WeakPolarHBondContact O-CB 3.46Å; D356-N359 PolarHBondContact O-N 2.91Å; D356-N359 VanDerWaalsContact O-N 3.12Å; L357-N359 VanDerWaalsContact C-N 3.32Å; N359-C361 VanDerWaalsContact C-N 3.32Å; N359-C361 PolarHBondContact O-N 2.97Å; N359-T362 PolarHBondContact O-N 3.45Å; N359-E363 WeakPolarHBondContact O-CB 3.5Å; N359-E363 WeakPolarHBondContact O-CG 3.43Å; N359-E363 PolarHBondContact O-N 3.14Å
360V93.1Very high91Very high0 Ų049.2 Ų49.20%026%0.256CS..Hα-helixtrans-56.8-46.2172.9169.60000111F352 D356 L357 T362 E363 A364 F381 A384 V385 V388F352-V360 HydrophobicContact CD2-CG2 4.11Å; F352-V360 HydrophobicContact CE2-CG2 3.7Å; D356-V360 WeakPolarHBondContact O-CG2 3.06Å; D356-V360 PolarHBondContact O-N 3.07Å; L357-V360 WeakPolarHBondContact O-CB 3.49Å; L357-V360 PolarHBondContact O-N 3.39Å; V360-T362 VanDerWaalsContact C-N 3.32Å; V360-T362 PolarHBondContact O-N 3.46Å; V360-E363 PolarHBondContact O-N 2.91Å; V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 3.46Å; V360-F381 HydrophobicContact CG1-CD1 4.25Å; V360-A384 HydrophobicContact CG1-CB 4.14Å; V360-A384 WeakPolarHBondContact O-CB 3.47Å; V360-V385 HydrophobicContact CG1-CG2 3.6Å; V360-V385 HydrophobicContact CG2-CG2 4.15Å; V360-V388 HydrophobicContact CG2-CB 4Å; V360-V388 HydrophobicContact CG2-CG1 4.21Å; V360-V388 HydrophobicContact CG2-CG2 3.85Å
361C92.7Very high91.3Very high3 Ų345.5 Ų45.52%0.0224%0.243CC..Hα-helixtrans-63.1-40.1178.2-62.90000112H330 I334 L357 R358 N359 G365H330-C361 HydrophobicContact CB-CB 4.27Å; I334-C361 HydrophobicContact CD1-CB 3.8Å; I334-C361 WeakPolarHBondContact CD1-O 3.37Å; L357-C361 PolarHBondContact O-N 3.08Å; L357-C361 PolarHBondContact O-SG 2.83Å; L357-C361 VanDerWaalsContact O-SG 3.33Å; R358-C361 PolarHBondContact O-N 3.38Å; N359-C361 VanDerWaalsContact C-N 3.32Å; N359-C361 PolarHBondContact O-N 2.97Å; C361-G365 PolarHBondContact O-N 3.43Å
362T92.9Very high91.6Very high76 Ų7651.5 Ų51.547%0.46627%0.268SS..Hα-helixtrans-68.3-42.6178.7-51.50000111.7R358 N359 V360 G365 M366R358-T362 PolarHBondContact O-N 2.62Å; R358-T362 VanDerWaalsContact O-N 3.07Å; R358-T362 PolarHBondContact O-OG1 3.35Å; N359-T362 PolarHBondContact O-N 3.45Å; V360-T362 VanDerWaalsContact C-N 3.32Å; V360-T362 PolarHBondContact O-N 3.46Å; T362-G365 PolarHBondContact O-N 2.8Å; T362-M366 WeakPolarHBondContact O-CG 3.46Å; T362-M366 PolarHBondContact O-N 3.34Å
363E93.6Very high91.6Very high47 Ų4755.3 Ų55.322%0.2229%0.286CS..Hα-helixtrans-67.5-36.7177-74.7-71.117800112.1N359 V360 G365 M366 F367 A384 K387 V388N359-E363 WeakPolarHBondContact O-CB 3.5Å; N359-E363 WeakPolarHBondContact O-CG 3.43Å; N359-E363 PolarHBondContact O-N 3.14Å; V360-E363 PolarHBondContact O-N 2.91Å; E363-G365 VanDerWaalsContact C-N 3.32Å; E363-G365 PolarHBondContact O-N 2.88Å; E363-M366 WeakPolarHBondContact O-CB 3.36Å; E363-M366 PolarHBondContact O-N 3.31Å; E363-M366 VanDerWaalsContact O-N 3.15Å; E363-F367 WeakPolarHBondContact O-CD2 3.43Å; E363-F367 PolarHBondContact O-N 3.3Å; E363-A384 HydrophobicContact CB-CB 3.79Å; E363-K387 HydrophobicContact CG-CD 4.48Å; E363-K387 IonicContact OE1-NZ 3.66Å; E363-K387 PolarHBondContact OE1-NZ 3.37Å; E363-K387 WeakPolarHBondContact OE2-CD 3.33Å; E363-K387 IonicContact OE2-NZ 3.38Å; E363-K387 PolarHBondContact OE2-NZ 3.38Å; E363-V388 HydrophobicContact CG-CG2 4.37Å
364A92.6Very high91.6Very high0 Ų061.3 Ų61.30%032%0.318CS..Hα-helixtrans-60.5-43.2173.900000111.1V360 M366 F367 A368 V376 F381 A384V360-A364 WeakPolarHBondContact O-CB 3.49Å; V360-A364 PolarHBondContact O-N 3.46Å; A364-M366 PolarHBondContact O-N 3.41Å; A364-F367 PolarHBondContact O-N 3.29Å; A364-A368 PolarHBondContact O-N 3.49Å; A364-A368 VanDerWaalsContact O-N 3.1Å; A364-V376 HydrophobicContact CB-CG1 3.9Å; A364-F381 HydrophobicContact CB-CD1 3.83Å; A364-F381 HydrophobicContact CB-CD2 4.11Å; A364-F381 HydrophobicContact CB-CE1 3.96Å; A364-F381 HydrophobicContact CB-CE2 4.23Å; A364-F381 HydrophobicContact CB-CG 3.91Å; A364-F381 HydrophobicContact CB-CZ 4.15Å; A364-A384 HydrophobicContact CB-CB 3.99Å
365G92.1Very high91.8Very high17 Ų1764.2 Ų64.218%0.17533%0.327CS..Hα-helixtrans-61-41.8171.800000112.9C361 T362 E363 F367 A368 I369C361-G365 PolarHBondContact O-N 3.43Å; T362-G365 PolarHBondContact O-N 2.8Å; E363-G365 VanDerWaalsContact C-N 3.32Å; E363-G365 PolarHBondContact O-N 2.88Å; G365-F367 VanDerWaalsContact C-N 3.34Å; G365-F367 PolarHBondContact O-N 3.26Å; G365-A368 PolarHBondContact O-N 3.14Å; G365-I369 VanDerWaalsContact O-CG1 3.3Å; G365-I369 WeakPolarHBondContact O-CG1 3.22Å; G365-I369 PolarHBondContact O-N 3.29Å
366M92.8Very high91.9Very high92 Ų9262.5 Ų62.545%0.45331%0.312SS..Hα-helixtrans-64.7-35.4176.2-74.4-70-166.500113.1T362 E363 A364 R370T362-M366 WeakPolarHBondContact O-CG 3.46Å; T362-M366 PolarHBondContact O-N 3.34Å; E363-M366 WeakPolarHBondContact O-CB 3.36Å; E363-M366 PolarHBondContact O-N 3.31Å; E363-M366 VanDerWaalsContact O-N 3.15Å; A364-M366 PolarHBondContact O-N 3.41Å; M366-R370 VanDerWaalsContact O-CG 3.27Å; M366-R370 WeakPolarHBondContact O-CG 3.41Å; M366-R370 PolarHBondContact O-N 3.48Å
367F92.9Very high92Very high42 Ų4263.5 Ų63.518%0.18432%0.319CS..Hα-helixtrans-67.2-41.5174.7-80.3-63.7000112E363 A364 G365 R370 A371 D380 K383 A384 K387E363-F367 WeakPolarHBondContact O-CD2 3.43Å; E363-F367 PolarHBondContact O-N 3.3Å; A364-F367 PolarHBondContact O-N 3.29Å; G365-F367 VanDerWaalsContact C-N 3.34Å; G365-F367 PolarHBondContact O-N 3.26Å; F367-R370 PolarHBondContact O-N 2.82Å; F367-A371 PolarHBondContact O-N 3.38Å; F367-A371 VanDerWaalsContact O-N 3.14Å; F367-D380 HydrophobicContact CB-CB 4.09Å; F367-K383 HydrophobicContact CD2-CB 4.11Å; F367-K383 HydrophobicContact CE2-CB 4.05Å; F367-K383 HydrophobicContact CG-CB 4.41Å; F367-K383 HydrophobicContact CZ-CB 4.25Å; F367-A384 HydrophobicContact CD2-CB 4.21Å; F367-A384 HydrophobicContact CE2-CB 4.31Å; F367-K387 HydrophobicContact CE2-CB 4.43Å; F367-K387 HydrophobicContact CE2-CD 4.1Å; F367-K387 HydrophobicContact CZ-CB 4.46Å; F367-K387 HydrophobicContact CZ-CD 3.97Å
368A92.2Very high91.9Very high2 Ų265.9 Ų65.92%0.01733%0.33CS..Hα-helixtrans-61.2-45.3174.200000111.7A364 G365 R370 A371 D372 H373 F375 V376A364-A368 PolarHBondContact O-N 3.49Å; A364-A368 VanDerWaalsContact O-N 3.1Å; G365-A368 PolarHBondContact O-N 3.14Å; A368-R370 VanDerWaalsContact C-N 3.34Å; A368-R370 PolarHBondContact O-N 3.19Å; A368-A371 CarbonylContact O-C 3.43Å; A368-A371 PolarHBondContact O-N 3.46Å; A368-D372 PolarHBondContact O-N 3.04Å; A368-H373 HydrophobicContact CB-CB 4.4Å; A368-H373 PolarHBondContact O-N 2.66Å; A368-F375 WeakPolarHBondContact CB-O 3.41Å; A368-V376 HydrophobicContact CB-CG2 3.96Å
369I93.5Very high91.9Very high113 Ų11364.8 Ų64.858%0.57933%0.331SS*.Hα-helixtrans-61.5-41176.8-67.3165.8000111.4G365 A371 D372G365-I369 VanDerWaalsContact O-CG1 3.3Å; G365-I369 WeakPolarHBondContact O-CG1 3.22Å; G365-I369 PolarHBondContact O-N 3.29Å; I369-A371 PolarHBondContact O-N 2.74Å; I369-D372 PolarHBondContact O-N 2.74Å
370R92.9Very high91.9Very high160 Ų16061.1 Ų61.160%0.60431%0.312SS*.Hα-helixtrans-66.9-21.3176.7-74.5174.5-169.4173.33.1113.7M366 F367 A368 D372M366-R370 VanDerWaalsContact O-CG 3.27Å; M366-R370 WeakPolarHBondContact O-CG 3.41Å; M366-R370 PolarHBondContact O-N 3.48Å; F367-R370 PolarHBondContact O-N 2.82Å; A368-R370 VanDerWaalsContact C-N 3.34Å; A368-R370 PolarHBondContact O-N 3.19Å; R370-D372 VanDerWaalsContact C-N 3.32Å
371A90.4Very high91.8Very high47 Ų4761.1 Ų61.139%0.38831%0.312SS..THydrogen-bonded Turntrans-92.16.8174.300000112.4F367 A368 I369 H373F367-A371 PolarHBondContact O-N 3.38Å; F367-A371 VanDerWaalsContact O-N 3.14Å; A368-A371 CarbonylContact O-C 3.43Å; A368-A371 PolarHBondContact O-N 3.46Å; I369-A371 PolarHBondContact O-N 2.74Å; A371-H373 PolarHBondContact O-CD2 3.12Å; A371-H373 PolarHBondContact O-N 3.03Å
372D91.3Very high91.7Very high153 Ų15363.3 Ų63.382%0.81832%0.322SS*.THydrogen-bonded Turntrans55.436-173.9-64.8-43.1000113.1A368 I369 R370A368-D372 PolarHBondContact O-N 3.04Å; I369-D372 PolarHBondContact O-N 2.74Å; R370-D372 VanDerWaalsContact C-N 3.32Å
373H89.3Confident91.7Very high84 Ų8464.1 Ų64.139%0.38932%0.319SS..  trans-102.2139175.5-63172.5000111.8A368 A371 F375A368-H373 HydrophobicContact CB-CB 4.4Å; A368-H373 PolarHBondContact O-N 2.66Å; A371-H373 PolarHBondContact O-CD2 3.12Å; A371-H373 PolarHBondContact O-N 3.03Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.05Å
374D89.6Confident91.7Very high152 Ų15261.9 Ų61.981%0.81331%0.309SS*.SBendtrans-82.7-2.8175.1-65.4-36.4000113.8T335T335-D374 PolarHBondContact OG1-O 3.43Å
375F91.4Very high91.7Very high75 Ų7562 Ų6233%0.32931%0.309SS..SBendtrans-140.2151.8-175.354.9-99.2000111.2T335 H337 A368 H373 V377T335-F375 WeakPolarHBondContact O-CA 3.08Å; H337-F375 HydrophobicContact CB-CB 3.88Å; H337-F375 HydrophobicContact CB-CD1 4.33Å; H337-F375 HydrophobicContact CB-CD2 3.18Å; H337-F375 HydrophobicContact CB-CE2 3.71Å; H337-F375 HydrophobicContact CB-CG 3.54Å; H337-F375 HydrophobicContact CB-CZ 4.46Å; H337-F375 AromaticContact CG-CD2 3.9Å; H337-F375 AromaticContact CG-CE2 3.95Å; A368-F375 WeakPolarHBondContact CB-O 3.41Å; H373-F375 VanDerWaalsContact C-N 3.28Å; H373-F375 PolarHBondContact O-N 3.05Å; F375-V377 HydrophobicContact CD2-CG1 3.83Å; F375-V377 HydrophobicContact CE2-CG1 3.73Å
376V91.2Very high91.6Very high4 Ų468.8 Ų68.82%0.02433%0.33CS..BIsolated β-bridgetrans-94.4133.8177.5-173.40000110.2I334 T335 H337 A364 A368 D380 F381I334-V376 HydrophobicContact CG2-CB 4.04Å; I334-V376 HydrophobicContact CG2-CG2 3.45Å; I334-V376 VanDerWaalsContact CG2-CG2 3.45Å; T335-V376 PolarHBondContact O-N 2.94Å; H337-V376 PolarHBondContact N-O 3.29Å; H337-V376 VanDerWaalsContact N-O 3.15Å; A364-V376 HydrophobicContact CB-CG1 3.9Å; A368-V376 HydrophobicContact CB-CG2 3.96Å; V376-D380 HydrophobicContact CG1-CB 3.92Å; V376-F381 HydrophobicContact CB-CE2 4.19Å; V376-F381 HydrophobicContact CG1-CD2 3.57Å; V376-F381 HydrophobicContact CG1-CE2 3.36Å; V376-F381 HydrophobicContact CG1-CZ 4.29Å
377V92Very high91.5Very high35 Ų3567.8 Ų67.821%0.21232%0.323CS..  trans-108.3166.7174.1-63.80000112F375 E379 D380 F381F375-V377 HydrophobicContact CD2-CG1 3.83Å; F375-V377 HydrophobicContact CE2-CG1 3.73Å; V377-E379 HydrophobicContact CG2-CB 4.23Å; V377-E379 PolarHBondContact O-N 3.33Å; V377-D380 VanDerWaalsContact CG2-OD2 3.28Å; V377-D380 WeakPolarHBondContact CG2-OD2 3.49Å; V377-D380 PolarHBondContact N-OD2 3.33Å; V377-D380 PolarHBondContact O-N 2.89Å; V377-F381 PolarHBondContact O-N 3.42Å
378Q90.6Very high91.3Very high50 Ų5066.5 Ų66.523%0.23432%0.318CS..Hα-helixtrans-51.9-39.7178.2-175.9719.800112.7I340 D341 D380 F381 M382I340-Q378 VanDerWaalsContact CA-OE1 3.29Å; D341-Q378 PolarHBondContact O-NE2 3.38Å; Q378-D380 VanDerWaalsContact C-N 3.28Å; Q378-D380 PolarHBondContact O-N 3.26Å; Q378-F381 PolarHBondContact O-N 3.33Å; Q378-M382 HydrophobicContact CG-CG 4.46Å; Q378-M382 VanDerWaalsContact O-CG 3.3Å; Q378-M382 WeakPolarHBondContact O-CG 3.32Å; Q378-M382 PolarHBondContact O-N 2.98Å
379E90.9Very high91.1Very high127 Ų12767.3 Ų67.359%0.59333%0.325SS*.Hα-helixtrans-61.7-35-179.4-66.3-165.9173.300113.2V377 M382 K383V377-E379 HydrophobicContact CG2-CB 4.23Å; V377-E379 PolarHBondContact O-N 3.33Å; E379-M382 PolarHBondContact O-N 3.48Å; E379-K383 VanDerWaalsContact O-CG 3.31Å; E379-K383 WeakPolarHBondContact O-CG 3.43Å; E379-K383 PolarHBondContact O-N 3.45Å; E379-K383 IonicContact OE2-NZ 2.91Å
380D91.7Very high90.8Very high5 Ų565.9 Ų65.93%0.02732%0.319CS..Hα-helixtrans-71.1-39-178.8-62.3-34.9000110.9F367 V376 V377 Q378 M382 K383 A384F367-D380 HydrophobicContact CB-CB 4.09Å; V376-D380 HydrophobicContact CG1-CB 3.92Å; V377-D380 VanDerWaalsContact CG2-OD2 3.28Å; V377-D380 WeakPolarHBondContact CG2-OD2 3.49Å; V377-D380 PolarHBondContact N-OD2 3.33Å; V377-D380 PolarHBondContact O-N 2.89Å; Q378-D380 VanDerWaalsContact C-N 3.28Å; Q378-D380 PolarHBondContact O-N 3.26Å; D380-M382 VanDerWaalsContact C-N 3.34Å; D380-K383 PolarHBondContact O-N 2.99Å; D380-K383 IonicContact OD1-NZ 3.41Å; D380-A384 VanDerWaalsContact O-CB 3.27Å; D380-A384 WeakPolarHBondContact O-CB 3.49Å; D380-A384 PolarHBondContact O-N 3.49Å
381F91Very high90.3Very high0 Ų061.1 Ų61.10%031%0.31CS..Hα-helixtrans-61.7-42.2170.5-84.7-81.6000111.9A331 I340 I345 V360 A364 V376 V377 Q378 K383 A384 V385A331-F381 HydrophobicContact CB-CZ 4.31Å; I340-F381 HydrophobicContact CD1-CD2 3.82Å; I340-F381 HydrophobicContact CD1-CE2 3.48Å; I340-F381 VanDerWaalsContact CD1-CE2 3.48Å; I340-F381 HydrophobicContact CD1-CZ 4.47Å; I340-F381 HydrophobicContact CG2-CD2 4.26Å; I345-F381 HydrophobicContact CD1-CB 3.51Å; I345-F381 HydrophobicContact CD1-CD1 4.07Å; I345-F381 HydrophobicContact CD1-CG 3.82Å; I345-F381 HydrophobicContact CG1-CB 4.17Å; V360-F381 HydrophobicContact CG1-CD1 4.25Å; A364-F381 HydrophobicContact CB-CD1 3.83Å; A364-F381 HydrophobicContact CB-CD2 4.11Å; A364-F381 HydrophobicContact CB-CE1 3.96Å; A364-F381 HydrophobicContact CB-CE2 4.23Å; A364-F381 HydrophobicContact CB-CG 3.91Å; A364-F381 HydrophobicContact CB-CZ 4.15Å; V376-F381 HydrophobicContact CB-CE2 4.19Å; V376-F381 HydrophobicContact CG1-CD2 3.57Å; V376-F381 HydrophobicContact CG1-CE2 3.36Å; V376-F381 HydrophobicContact CG1-CZ 4.29Å; V377-F381 PolarHBondContact O-N 3.42Å; Q378-F381 PolarHBondContact O-N 3.33Å; F381-K383 PolarHBondContact O-N 3.14Å; F381-A384 WeakPolarHBondContact O-CB 3.27Å; F381-A384 PolarHBondContact O-N 3.29Å; F381-V385 WeakPolarHBondContact O-CG2 3.49Å; F381-V385 PolarHBondContact O-N 3.15Å
382M91.7Very high89.7Confident49 Ų4961.4 Ų61.424%0.24130%0.302CS..Hα-helixtrans-65.4-39.4178.3-66-71.2-81.600112I345 L348 Q378 E379 D380 R386I345-M382 HydrophobicContact CG1-SD 4.33Å; L348-M382 HydrophobicContact CD1-CE 3.37Å; L348-M382 HydrophobicContact CD1-SD 3.62Å; Q378-M382 HydrophobicContact CG-CG 4.46Å; Q378-M382 VanDerWaalsContact O-CG 3.3Å; Q378-M382 WeakPolarHBondContact O-CG 3.32Å; Q378-M382 PolarHBondContact O-N 2.98Å; E379-M382 PolarHBondContact O-N 3.48Å; D380-M382 VanDerWaalsContact C-N 3.34Å; M382-R386 WeakPolarHBondContact O-CG 3.46Å; M382-R386 PolarHBondContact O-N 3.48Å
383K92.1Very high89Confident93 Ų9360 Ų6040%0.40429%0.289SS..Hα-helixtrans-65.2-41.5172.8-71.1167.7-168159.60111.3F367 E379 D380 F381 R386 K387F367-K383 HydrophobicContact CD2-CB 4.11Å; F367-K383 HydrophobicContact CE2-CB 4.05Å; F367-K383 HydrophobicContact CG-CB 4.41Å; F367-K383 HydrophobicContact CZ-CB 4.25Å; E379-K383 VanDerWaalsContact O-CG 3.31Å; E379-K383 WeakPolarHBondContact O-CG 3.43Å; E379-K383 PolarHBondContact O-N 3.45Å; E379-K383 IonicContact OE2-NZ 2.91Å; D380-K383 PolarHBondContact O-N 2.99Å; D380-K383 IonicContact OD1-NZ 3.41Å; F381-K383 PolarHBondContact O-N 3.14Å; K383-R386 PolarHBondContact O-N 3.38Å; K383-K387 PolarHBondContact O-N 2.99Å
384A92.6Very high88Confident0 Ų062 Ų620%030%0.302CS..Hα-helixtrans-61.8-47.7177.600000112.7V360 E363 A364 F367 D380 F381 R386 K387 V388V360-A384 HydrophobicContact CG1-CB 4.14Å; V360-A384 WeakPolarHBondContact O-CB 3.47Å; E363-A384 HydrophobicContact CB-CB 3.79Å; A364-A384 HydrophobicContact CB-CB 3.99Å; F367-A384 HydrophobicContact CD2-CB 4.21Å; F367-A384 HydrophobicContact CE2-CB 4.31Å; D380-A384 VanDerWaalsContact O-CB 3.27Å; D380-A384 WeakPolarHBondContact O-CB 3.49Å; D380-A384 PolarHBondContact O-N 3.49Å; F381-A384 WeakPolarHBondContact O-CB 3.27Å; F381-A384 PolarHBondContact O-N 3.29Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.03Å; A384-K387 PolarHBondContact O-N 3.2Å; A384-V388 WeakPolarHBondContact O-CG2 3.43Å; A384-V388 PolarHBondContact O-N 3.06Å
385V92.6Very high86.7Confident1 Ų161 Ų611%0.00629%0.292CS..Hα-helixtrans-59-44.2176.9175.10000111.3I345 L348 F352 V360 F381 K387 V388 A389I345-V385 HydrophobicContact CG2-CG2 3.56Å; L348-V385 HydrophobicContact CB-CG1 3.75Å; F352-V385 HydrophobicContact CE2-CG1 4.36Å; F352-V385 HydrophobicContact CZ-CG1 4.31Å; V360-V385 HydrophobicContact CG1-CG2 3.6Å; V360-V385 HydrophobicContact CG2-CG2 4.15Å; F381-V385 WeakPolarHBondContact O-CG2 3.49Å; F381-V385 PolarHBondContact O-N 3.15Å; V385-K387 PolarHBondContact O-N 3.34Å; V385-V388 PolarHBondContact O-N 2.67Å; V385-A389 VanDerWaalsContact O-CB 3.22Å; V385-A389 WeakPolarHBondContact O-CB 3.41Å; V385-A389 PolarHBondContact O-N 2.93Å
386R90.8Very high85Confident161 Ų16161.5 Ų61.561%0.60831%0.305SS*.Hα-helixtrans-61.3-45178-71.4176.8-176.7-179.92.4111.9M382 K383 A384 A389 D390M382-R386 WeakPolarHBondContact O-CG 3.46Å; M382-R386 PolarHBondContact O-N 3.48Å; K383-R386 PolarHBondContact O-N 3.38Å; A384-R386 VanDerWaalsContact C-N 3.32Å; A384-R386 PolarHBondContact O-N 3.03Å; R386-A389 PolarHBondContact O-N 3.47Å; R386-D390 PolarHBondContact O-N 3Å
387K90.6Very high82.9Confident70 Ų7070.3 Ų70.330%0.30434%0.343SS..Hα-helixtrans-59.9-49.4177.3-170.9-168.3-178.7-160.80111.4E363 F367 K383 A384 V385 A389 D390 S391E363-K387 HydrophobicContact CG-CD 4.48Å; E363-K387 IonicContact OE1-NZ 3.66Å; E363-K387 PolarHBondContact OE1-NZ 3.37Å; E363-K387 WeakPolarHBondContact OE2-CD 3.33Å; E363-K387 IonicContact OE2-NZ 3.38Å; E363-K387 PolarHBondContact OE2-NZ 3.38Å; F367-K387 HydrophobicContact CE2-CB 4.43Å; F367-K387 HydrophobicContact CE2-CD 4.1Å; F367-K387 HydrophobicContact CZ-CB 4.46Å; F367-K387 HydrophobicContact CZ-CD 3.97Å; K383-K387 PolarHBondContact O-N 2.99Å; A384-K387 PolarHBondContact O-N 3.2Å; V385-K387 PolarHBondContact O-N 3.34Å; K387-A389 VanDerWaalsContact C-N 3.34Å; K387-A389 PolarHBondContact O-N 3.11Å; K387-D390 PolarHBondContact O-N 3.48Å; K387-S391 PolarHBondContact O-N 3.44Å; K387-S391 PolarHBondContact O-OG 3.06Å
388V89.4Confident80.8Confident15 Ų1575.3 Ų75.39%0.09137%0.368CS..Hα-helixtrans-65.3-38.6179.2176.50000111F352 D356 V360 E363 A384 V385 D390 S391 K392F352-V388 HydrophobicContact CD2-CG1 4.26Å; F352-V388 HydrophobicContact CE2-CB 3.97Å; F352-V388 HydrophobicContact CE2-CG1 3.56Å; F352-V388 HydrophobicContact CZ-CB 4.19Å; F352-V388 HydrophobicContact CZ-CG1 3.88Å; D356-V388 HydrophobicContact CB-CG1 4.25Å; V360-V388 HydrophobicContact CG2-CB 4Å; V360-V388 HydrophobicContact CG2-CG1 4.21Å; V360-V388 HydrophobicContact CG2-CG2 3.85Å; E363-V388 HydrophobicContact CG-CG2 4.37Å; A384-V388 WeakPolarHBondContact O-CG2 3.43Å; A384-V388 PolarHBondContact O-N 3.06Å; V385-V388 PolarHBondContact O-N 2.67Å; V388-D390 VanDerWaalsContact C-N 3.33Å; V388-D390 PolarHBondContact O-N 2.77Å; V388-S391 WeakPolarHBondContact O-CB 3.4Å; V388-S391 PolarHBondContact O-N 2.79Å; V388-K392 WeakPolarHBondContact O-CB 3.47Å; V388-K392 PolarHBondContact O-N 2.81Å
389A88.2Confident78.4Confident20 Ų2079.5 Ų79.517%0.16539%0.392CS..Hα-helixtrans-62.3-40175.300000111.9F352 V385 R386 K387 K392 K393F352-A389 HydrophobicContact CE1-CB 4.22Å; F352-A389 HydrophobicContact CZ-CB 3.91Å; V385-A389 VanDerWaalsContact O-CB 3.22Å; V385-A389 WeakPolarHBondContact O-CB 3.41Å; V385-A389 PolarHBondContact O-N 2.93Å; R386-A389 PolarHBondContact O-N 3.47Å; K387-A389 VanDerWaalsContact C-N 3.34Å; K387-A389 PolarHBondContact O-N 3.11Å; A389-K392 PolarHBondContact O-N 2.91Å; A389-K393 WeakPolarHBondContact O-CG 3.46Å; A389-K393 PolarHBondContact O-N 3.45Å
390D86.4Confident76.2Confident82 Ų8283.2 Ų83.244%0.43940%0.402SS..Hα-helixtrans-70.4-39.1177.1-70.3-24.2000112R386 K387 V388 K392 K393 L394R386-D390 PolarHBondContact O-N 3Å; K387-D390 PolarHBondContact O-N 3.48Å; V388-D390 VanDerWaalsContact C-N 3.33Å; V388-D390 PolarHBondContact O-N 2.77Å; D390-K392 VanDerWaalsContact C-N 3.29Å; D390-K392 PolarHBondContact O-N 3.22Å; D390-K393 PolarHBondContact O-N 3.02Å; D390-K393 IonicContact OD1-NZ 3.06Å; D390-K393 PolarHBondContact OD1-NZ 3.04Å; D390-L394 WeakPolarHBondContact O-CD1 3.5Å; D390-L394 PolarHBondContact O-N 2.91Å; D390-L394 VanDerWaalsContact O-N 3.14Å
391S83.2Confident73.2Confident60 Ų6091.7 Ų91.742%0.4244%0.439SS..Hα-helixtrans-57.8-41.7169.2-66.60000111.9K387 V388 L394 E395K387-S391 PolarHBondContact O-N 3.44Å; K387-S391 PolarHBondContact O-OG 3.06Å; V388-S391 WeakPolarHBondContact O-CB 3.4Å; V388-S391 PolarHBondContact O-N 2.79Å; S391-L394 VanDerWaalsContact O-CB 3.32Å; S391-L394 WeakPolarHBondContact O-CB 3.24Å; S391-L394 PolarHBondContact O-N 2.88Å; S391-L394 VanDerWaalsContact O-N 3.15Å; S391-E395 PolarHBondContact O-N 3.27Å
392K77.9Confident70.7Confident53 Ų5397.8 Ų97.823%0.2348%0.478CS..Hα-helixtrans-68.4-35178.2-167.1165.2-167.7154.20113.3G351 F352 D356 V388 A389 D390 L394 E395 S396G351-K392 PolarHBondContact O-NZ 2.97Å; F352-K392 HydrophobicContact CD1-CD 4.2Å; F352-K392 HydrophobicContact CE1-CD 4.29Å; D356-K392 IonicContact OD2-NZ 2.7Å; D356-K392 PolarHBondContact OD2-NZ 3.49Å; V388-K392 WeakPolarHBondContact O-CB 3.47Å; V388-K392 PolarHBondContact O-N 2.81Å; A389-K392 PolarHBondContact O-N 2.91Å; D390-K392 VanDerWaalsContact C-N 3.29Å; D390-K392 PolarHBondContact O-N 3.22Å; K392-L394 VanDerWaalsContact C-N 3.26Å; K392-L394 PolarHBondContact O-N 3.42Å; K392-E395 PolarHBondContact O-N 2.8Å; K392-S396 PolarHBondContact O-N 2.94Å
393K74.9Confident68.1Low125 Ų125105.4 Ų105.454%0.54353%0.527SS..Hα-helixtrans-62.3-35.3171-71.1171.8-164.4155.60111.7A389 D390 S396A389-K393 WeakPolarHBondContact O-CG 3.46Å; A389-K393 PolarHBondContact O-N 3.45Å; D390-K393 PolarHBondContact O-N 3.02Å; D390-K393 IonicContact OD1-NZ 3.06Å; D390-K393 PolarHBondContact OD1-NZ 3.04Å; K393-S396 WeakPolarHBondContact CA-OG 3.32Å; K393-S396 PolarHBondContact O-OG 3.48Å
394L68.3Low66.9Low126 Ų126106.1 Ų106.166%0.6653%0.533SS*.Hα-helixtrans-66.8-40.5173.7-75.6146.6000111.5D390 S391 K392 K397D390-L394 WeakPolarHBondContact O-CD1 3.5Å; D390-L394 PolarHBondContact O-N 2.91Å; D390-L394 VanDerWaalsContact O-N 3.14Å; S391-L394 VanDerWaalsContact O-CB 3.32Å; S391-L394 WeakPolarHBondContact O-CB 3.24Å; S391-L394 PolarHBondContact O-N 2.88Å; S391-L394 VanDerWaalsContact O-N 3.15Å; K392-L394 VanDerWaalsContact C-N 3.26Å; K392-L394 PolarHBondContact O-N 3.42Å; L394-K397 PolarHBondContact O-N 2.85Å
395E64.1Low65.6Low129 Ų129111.6 Ų111.660%0.60356%0.562SS**Hα-helixtrans-64.5-41.3174.5-69.6179.6168.500112.6S391 K392 K397 L398S391-E395 PolarHBondContact O-N 3.27Å; K392-E395 PolarHBondContact O-N 2.8Å; E395-K397 PolarHBondContact O-N 2.85Å; E395-L398 PolarHBondContact O-N 2.81Å
396S55.1Low64.1Low87 Ų87117.8 Ų117.861%0.60859%0.592SS**THydrogen-bonded Turntrans-64.3-11.4-178.369.60000115.1K392 K393K392-S396 PolarHBondContact O-N 2.94Å; K393-S396 WeakPolarHBondContact CA-OG 3.32Å; K393-S396 PolarHBondContact O-OG 3.48Å
397K47.7Very low62.5Low188 Ų188115.2 Ų115.282%0.81759%0.591SS**THydrogen-bonded Turntrans-87-4.9174.1-75.9-175.7177.5179.70113.9L394 E395L394-K397 PolarHBondContact O-N 2.85Å; E395-K397 PolarHBondContact O-N 2.85Å
398L46.5Very low60.8Low141 Ų141118.1 Ų118.174%0.73861%0.609SS**SBendtrans-109.949-175.8-92.9143.1000113.1E395E395-L398 PolarHBondContact O-N 2.81Å
399D41.8Very low58.9Low137 Ų137124.9 Ų124.973%0.73364%0.644SS**  trans88112.4171.9-59.9-47.7000117.9
400Y42.8Very low56.8Low205 Ų205132.4 Ų132.480%0.80468%0.678SS**  -155.578.5129.4-104.8-81.8000107P402Y400-P402 WeakPolarHBondContact O-CD 3.49Å
401K28.8Very low54.5Low183 Ų183136.3 Ų136.380%0.79670%0.697SS**  trans-86116.8158.1-82.3-172.6178.6179.20107.1V403K401-V403 PolarHBondContact O-N 3.33Å
402P39.9Very low52.1Low128 Ų128142.7 Ų142.783%0.83172%0.72SS**  trans-68.1122.1164.329-28.8000107.2Y400Y400-P402 WeakPolarHBondContact O-CD 3.49Å
403V37.1Very low49.7Very low210 Ų210150.8 Ų150.8100%1.27376%0.764SS**  trans-106.40162.4179.70000107.3K401K401-V403 PolarHBondContact O-N 3.33Å

Retrieved 403 of 403 residues in 74.3 ms (Link to these results)