A0A087X4V5_POEFO Loading...

RNA-binding protein 41

May bind RNA.

AlphaFold DB , UniProt , Accession A0A087X4V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 439 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M43.2Very low43Very low242 Ų242186.2 Ų186.2100%1.19289%0.889SS**  0124.50-70171.9176.900109.4
2R40.9Very low42.8Very low246 Ų246175.6 Ų175.693%0.92887%0.866SS**  trans-116118.5161.7-85.9-176.4171.5175.2-2.5107V4R2-V4 PolarHBondContact O-N 3.41Å
3R47.3Very low42.6Very low255 Ų255171.9 Ų171.996%0.96286%0.863SS**  trans-76.7112.3172.7-69.6-173.2-179-156.81.1107.8S5R3-S5 PolarHBondContact O-N 3.46Å
4V40.7Very low42.4Very low137 Ų137171.8 Ų171.883%0.8387%0.865SS**  trans-81112.6167.7-179.60000106.8R2 R6R2-V4 PolarHBondContact O-N 3.41Å; V4-R6 PolarHBondContact O-N 3.36Å
5S41.1Very low42.7Very low110 Ų110171.3 Ų171.377%0.76987%0.865SS**PPolyproline II helixtrans-68125.9174.7-161.80000109.1R3 R7R3-S5 PolarHBondContact O-N 3.46Å; S5-R7 PolarHBondContact O-N 3.31Å
6R44.2Very low43.3Very low240 Ų240171.7 Ų171.791%0.90686%0.862SS**PPolyproline II helixtrans-70118.7168.9-73.9-174.7175.3-172.5-1.8107.3V4 A8V4-R6 PolarHBondContact O-N 3.36Å; R6-A8 PolarHBondContact O-N 3.2Å
7R39.8Very low44.2Very low238 Ų238171.4 Ų171.490%0.89886%0.858SS**PPolyproline II helixtrans-59.9132.7164.4-75.5-179.9172.4165.7-3.9107.8S5 C9S5-R7 PolarHBondContact O-N 3.31Å; R7-C9 PolarHBondContact O-N 2.98Å
8A44.6Very low45.5Very low87 Ų87168.2 Ų168.272%0.71984%0.84SS**PPolyproline II helixtrans-61.2127160.400000107.3R6 E10R6-A8 PolarHBondContact O-N 3.2Å; A8-E10 PolarHBondContact O-N 2.95Å
9C38.2Very low47.2Very low130 Ų130163.4 Ų163.488%0.87881%0.814SS**  trans-80.899.5162.1-67.60000105.7R7R7-C9 PolarHBondContact O-N 2.98Å
10E45.3Very low49.1Very low171 Ų171155.3 Ų155.380%0.79977%0.774SS**  trans-70.6144.4164.3-66.4-166.2151.200109.2A8A8-E10 PolarHBondContact O-N 2.95Å
11E48.1Very low50.7Low192 Ų192148.2 Ų148.290%0.89774%0.739SS**  trans46.569.5162.4-58.2-170.3157.100116.4
12G40Very low52.5Low59 Ų59136.7 Ų136.761%0.60868%0.682SS**  trans-63.7151140.300000109.4L14G12-L14 PolarHBondContact O-N 3.2Å
13P40.2Very low54.6Low128 Ų128128.8 Ų128.883%0.83166%0.655SS**  trans-54.3139.1173.724.8-33.7000109.4L15P13-L15 PolarHBondContact O-N 3.26Å
14L40.3Very low56.4Low170 Ų170121 Ų12189%0.8963%0.626SS**  trans-44.6131.6176.8-73168.2000109.2G12 E16G12-L14 PolarHBondContact O-N 3.2Å; L14-E16 PolarHBondContact O-N 2.89Å
15L46.8Very low58.5Low164 Ų164115.9 Ų115.986%0.85959%0.593SS**  trans-54.7111.2170.7-71171.7000106.8P13 E17P13-L15 PolarHBondContact O-N 3.26Å; L15-E17 PolarHBondContact O-N 2.8Å
16E52Low60.6Low178 Ų178113.5 Ų113.583%0.83257%0.571SS**  trans-53.2108.1166.6-171.3173.7-127.900105.2L14 Q18L14-E16 PolarHBondContact O-N 2.89Å; E16-Q18 PolarHBondContact O-N 3.25Å
17E59.4Low62.7Low167 Ų167106.5 Ų106.578%0.7855%0.549SS*.  trans-54.2117.1-171.9-71.9-173.9161.700107.2L15 E19L15-E17 PolarHBondContact O-N 2.8Å; E17-E19 PolarHBondContact O-N 3.16Å
18Q67.8Low64.9Low114 Ų11498.8 Ų98.853%0.53353%0.531SS..  trans-81.969.8-163.7-165.8167.4-27.700109.6E16 I158 L162E16-Q18 PolarHBondContact O-N 3.25Å; Q18-I158 HydrophobicContact CG-CD1 4.39Å; Q18-I158 HydrophobicContact CG-CG2 4.07Å; Q18-I158 VanDerWaalsContact NE2-CD1 3.33Å; Q18-I158 VanDerWaalsContact NE2-CG1 3.26Å; Q18-L162 WeakPolarHBondContact O-CD1 3.48Å
19E77.1Confident66.8Low77 Ų7798 Ų9836%0.3651%0.514SS..  trans-57.6134.7-178.2-63.6-177.3146.800111.2E17 R24E17-E19 PolarHBondContact O-N 3.16Å; E19-R24 HydrophobicContact CB-CG 3.64Å; E19-R24 WeakPolarHBondContact OE2-CD 3.42Å; E19-R24 VanDerWaalsContact OE2-CG 3.3Å; E19-R24 WeakPolarHBondContact OE2-CG 3.45Å
20T84.4Confident69.2Low0 Ų095.6 Ų95.60%049%0.493CS..  trans-68.2154.9170.541.30000111.9G22 Q23 R24 E159 L162 F163T20-G22 PolarHBondContact O-N 2.96Å; T20-Q23 VanDerWaalsContact N-OE1 3.1Å; T20-Q23 WeakPolarHBondContact O-CB 3.32Å; T20-Q23 PolarHBondContact O-N 3.35Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.32Å; T20-Q23 PolarHBondContact OG1-OE1 3.34Å; T20-R24 VanDerWaalsContact O-CG 3.31Å; T20-R24 WeakPolarHBondContact O-CG 3.4Å; T20-R24 PolarHBondContact O-N 2.67Å; T20-E159 WeakPolarHBondContact CB-OE1 3.25Å; T20-E159 HydrophobicContact CG2-CG 4.41Å; T20-L162 HydrophobicContact CG2-CB 4.46Å; T20-L162 HydrophobicContact CG2-CD1 3.83Å; T20-F163 HydrophobicContact CG2-CD2 3.89Å; T20-F163 HydrophobicContact CG2-CE2 3.52Å
21E82.8Confident71.1Confident8 Ų891.1 Ų91.14%0.03747%0.473CS..Hα-helixtrans-57.5-40.7176.7-69.1-57.9140.700111Q23 R24 Q25 L151 E155 E159 Y176E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.85Å; E21-R24 VanDerWaalsContact CD-CZ 3.49Å; E21-R24 PolarHBondContact O-N 3.23Å; E21-R24 IonicContact OE1-CZ 3.13Å; E21-R24 IonicContact OE1-NH1 2.7Å; E21-R24 PolarHBondContact OE1-NH1 3.44Å; E21-R24 IonicContact OE1-NH2 3.38Å; E21-R24 PolarHBondContact OE1-NH2 2.92Å; E21-R24 IonicContact OE2-CZ 3.36Å; E21-R24 IonicContact OE2-NH1 2.63Å; E21-R24 IonicContact OE2-NH2 3.77Å; E21-R24 PolarHBondContact OE2-NH2 3.12Å; E21-Q25 VanDerWaalsContact O-CB 3.32Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 WeakPolarHBondContact O-CG 3.27Å; E21-Q25 PolarHBondContact O-N 2.65Å; E21-L151 HydrophobicContact CB-CD2 3.56Å; E21-L151 HydrophobicContact CG-CD2 3.45Å; E21-L151 VanDerWaalsContact CG-CD2 3.45Å; E21-E155 VanDerWaalsContact CD-CD 3.48Å; E21-E155 HydrophobicContact CG-CB 3.67Å; E21-E155 HydrophobicContact CG-CG 3.99Å; E21-E155 WeakPolarHBondContact OE1-CG 3.14Å; E21-E159 WeakPolarHBondContact CA-OE1 3.14Å; E21-E159 WeakPolarHBondContact CB-OE1 3.29Å; E21-E159 PolarHBondContact N-OE1 3.41Å; E21-Y176 HydrophobicContact CB-CD1 4.23Å
22G82.1Confident72.7Confident0 Ų086.2 Ų86.20%045%0.451CS..Hα-helixtrans-58.2-43.3174.300000113T20 L26 E159 L175T20-G22 PolarHBondContact O-N 2.96Å; G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 PolarHBondContact O-N 3.33Å; G22-E159 PolarHBondContact N-OE1 3.01Å; G22-L175 WeakPolarHBondContact O-CD1 3.43Å
23Q85.2Confident74.8Confident79 Ų7990.1 Ų90.137%0.36945%0.453SS..Hα-helixtrans-64.1-46.9175.3-75.9168.9-15.500111.6T20 E21 Q25 L26 H27 L172T20-Q23 VanDerWaalsContact N-OE1 3.1Å; T20-Q23 WeakPolarHBondContact O-CB 3.32Å; T20-Q23 PolarHBondContact O-N 3.35Å; T20-Q23 WeakPolarHBondContact OG1-CG 3.32Å; T20-Q23 PolarHBondContact OG1-OE1 3.34Å; E21-Q23 VanDerWaalsContact C-N 3.34Å; E21-Q23 PolarHBondContact O-N 2.85Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.36Å; Q23-L26 PolarHBondContact O-N 3.43Å; Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 3.4Å; Q23-L172 HydrophobicContact CG-CD1 3.93Å
24R85.1Confident77Confident91 Ų9189.7 Ų89.734%0.34344%0.443SS..Hα-helixtrans-62.6-38179.4-56.2-144.6-51.7-84.5-3.8112.4E19 T20 E21 H27 S28E19-R24 HydrophobicContact CB-CG 3.64Å; E19-R24 WeakPolarHBondContact OE2-CD 3.42Å; E19-R24 VanDerWaalsContact OE2-CG 3.3Å; E19-R24 WeakPolarHBondContact OE2-CG 3.45Å; T20-R24 VanDerWaalsContact O-CG 3.31Å; T20-R24 WeakPolarHBondContact O-CG 3.4Å; T20-R24 PolarHBondContact O-N 2.67Å; E21-R24 VanDerWaalsContact CD-CZ 3.49Å; E21-R24 PolarHBondContact O-N 3.23Å; E21-R24 IonicContact OE1-CZ 3.13Å; E21-R24 IonicContact OE1-NH1 2.7Å; E21-R24 PolarHBondContact OE1-NH1 3.44Å; E21-R24 IonicContact OE1-NH2 3.38Å; E21-R24 PolarHBondContact OE1-NH2 2.92Å; E21-R24 IonicContact OE2-CZ 3.36Å; E21-R24 IonicContact OE2-NH1 2.63Å; E21-R24 IonicContact OE2-NH2 3.77Å; E21-R24 PolarHBondContact OE2-NH2 3.12Å; R24-H27 PolarHBondContact O-N 3.27Å; R24-S28 WeakPolarHBondContact O-CB 3.1Å; R24-S28 PolarHBondContact O-N 3.34Å
25Q84.1Confident78.7Confident30 Ų3086.6 Ų86.614%0.1442%0.424CS..Hα-helixtrans-70-42.5177.2-71.1164.411.900111.6E21 Q23 H27 S28 L29 L175E21-Q25 VanDerWaalsContact O-CB 3.32Å; E21-Q25 WeakPolarHBondContact O-CB 3.45Å; E21-Q25 WeakPolarHBondContact O-CG 3.27Å; E21-Q25 PolarHBondContact O-N 2.65Å; Q23-Q25 VanDerWaalsContact C-N 3.31Å; Q23-Q25 PolarHBondContact O-N 3.36Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; Q25-S28 PolarHBondContact O-N 2.83Å; Q25-L29 WeakPolarHBondContact O-CB 3.14Å; Q25-L29 PolarHBondContact O-N 3.39Å; Q25-L175 HydrophobicContact CB-CB 4.09Å; Q25-L175 HydrophobicContact CB-CD1 4.22Å; Q25-L175 PolarHBondContact OE1-O 3.21Å
26L86.1Confident80.3Confident60 Ų6085.5 Ų85.531%0.31442%0.424SS..Hα-helixtrans-60.5-44.7172.7-179.665.5000111.2G22 Q23 S28 L29 L30 F171 L172 L175G22-L26 WeakPolarHBondContact O-CB 3.48Å; G22-L26 PolarHBondContact O-N 3.33Å; Q23-L26 PolarHBondContact O-N 3.43Å; L26-S28 PolarHBondContact O-N 3.17Å; L26-L29 WeakPolarHBondContact O-CB 3.37Å; L26-L29 PolarHBondContact O-N 3.43Å; L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; L26-F171 HydrophobicContact CD1-CE1 3.95Å; L26-F171 HydrophobicContact CD1-CZ 4.02Å; L26-F171 HydrophobicContact CD2-CE1 4.25Å; L26-L172 HydrophobicContact CB-CD2 4.04Å; L26-L172 HydrophobicContact CD2-CD2 4.01Å; L26-L175 HydrophobicContact CB-CD1 3.91Å
27H87.2Confident81.7Confident94 Ų9479.3 Ų79.344%0.43541%0.408SS..Hα-helixtrans-61.3-44.6177.1-177.2-150.7000111.4Q23 R24 Q25 L29 L30 L31Q23-H27 WeakPolarHBondContact O-CB 3.41Å; Q23-H27 PolarHBondContact O-N 3.4Å; R24-H27 PolarHBondContact O-N 3.27Å; Q25-H27 VanDerWaalsContact C-N 3.34Å; H27-L29 VanDerWaalsContact C-N 3.32Å; H27-L29 PolarHBondContact O-N 3.18Å; H27-L30 PolarHBondContact O-N 2.81Å; H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3Å
28S85.3Confident82.3Confident75 Ų7577.7 Ų77.752%0.52441%0.409SS..Hα-helixtrans-62.2-35.5173.9-174.10000113.2R24 Q25 L26 Q32R24-S28 WeakPolarHBondContact O-CB 3.1Å; R24-S28 PolarHBondContact O-N 3.34Å; Q25-S28 PolarHBondContact O-N 2.83Å; L26-S28 PolarHBondContact O-N 3.17Å; S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 3.08Å; S28-Q32 VanDerWaalsContact O-N 3.08Å
29L85.1Confident82.9Confident71 Ų7175.9 Ų75.937%0.37240%0.403SS..Hα-helixtrans-67.6-45.9175.5-171.882.2000110.9Q25 L26 H27 Q32 Q33Q25-L29 WeakPolarHBondContact O-CB 3.14Å; Q25-L29 PolarHBondContact O-N 3.39Å; L26-L29 WeakPolarHBondContact O-CB 3.37Å; L26-L29 PolarHBondContact O-N 3.43Å; H27-L29 VanDerWaalsContact C-N 3.32Å; H27-L29 PolarHBondContact O-N 3.18Å; L29-Q32 CarbonylContact O-C 3.59Å; L29-Q32 WeakPolarHBondContact O-CA 3.49Å; L29-Q32 WeakPolarHBondContact O-CB 3.35Å; L29-Q32 PolarHBondContact O-N 3.28Å; L29-Q32 VanDerWaalsContact O-N 3.13Å; L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 3.39Å
30L88.4Confident82.9Confident80 Ų8077.4 Ų77.442%0.41942%0.418SS..Hα-helixtrans-63-45.6179.9-174.1153.8000111L26 H27 Q32 Q33 L34L26-L30 WeakPolarHBondContact O-CB 3.42Å; L26-L30 PolarHBondContact O-N 3.32Å; H27-L30 PolarHBondContact O-N 2.81Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.13Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-Q33 VanDerWaalsContact O-N 3.12Å; L30-L34 HydrophobicContact CD2-CD1 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.07Å; L30-L34 WeakPolarHBondContact O-CG 3.27Å; L30-L34 PolarHBondContact O-N 3.24Å
31L86Confident82.7Confident76 Ų7683.3 Ų83.340%0.39845%0.449SS..Hα-helixtrans-55.8-47.6170.5-70.9172.9000110.7H27 Q33 L34 H35H27-L31 WeakPolarHBondContact O-CG 3.48Å; H27-L31 PolarHBondContact O-N 3Å; L31-Q33 VanDerWaalsContact C-N 3.28Å; L31-Q33 PolarHBondContact O-N 3.34Å; L31-L34 PolarHBondContact O-N 2.91Å; L31-H35 PolarHBondContact O-CD2 3.36Å; L31-H35 PolarHBondContact O-N 2.98Å
32Q81.7Confident82.3Confident89 Ų8986.2 Ų86.242%0.41646%0.46SS..Hα-helixtrans-59.4-35.6176.7169.5162.3-55.800113.6S28 L29 L30 K46S28-Q32 WeakPolarHBondContact O-CB 3.48Å; S28-Q32 PolarHBondContact O-N 3.08Å; S28-Q32 VanDerWaalsContact O-N 3.08Å; L29-Q32 CarbonylContact O-C 3.59Å; L29-Q32 WeakPolarHBondContact O-CA 3.49Å; L29-Q32 WeakPolarHBondContact O-CB 3.35Å; L29-Q32 PolarHBondContact O-N 3.28Å; L29-Q32 VanDerWaalsContact O-N 3.13Å; L30-Q32 VanDerWaalsContact C-N 3.32Å; L30-Q32 PolarHBondContact O-N 3.13Å; Q32-K46 VanDerWaalsContact OE1-NZ 3.13Å
33Q83.3Confident81.8Confident141 Ų14187.6 Ų87.666%0.65947%0.469SS*.Hα-helixtrans-73.6-37.4177.4-73.7174.9-31.300113L29 L30 L31 H35L29-Q33 WeakPolarHBondContact O-CG 3.45Å; L29-Q33 PolarHBondContact O-N 3.39Å; L30-Q33 PolarHBondContact O-N 3.18Å; L30-Q33 VanDerWaalsContact O-N 3.12Å; L31-Q33 VanDerWaalsContact C-N 3.28Å; L31-Q33 PolarHBondContact O-N 3.34Å; Q33-H35 VanDerWaalsContact C-N 3.25Å; Q33-H35 PolarHBondContact O-N 3.31Å
34L86.7Confident81.2Confident120 Ų12088.6 Ų88.663%0.62848%0.481SS*.Hα-helixtrans-71.2-18176.7-68.7-177.6000113.4L30 L31 T36L30-L34 HydrophobicContact CD2-CD1 3.56Å; L30-L34 HydrophobicContact CD2-CG 4.07Å; L30-L34 WeakPolarHBondContact O-CG 3.27Å; L30-L34 PolarHBondContact O-N 3.24Å; L31-L34 PolarHBondContact O-N 2.91Å; L34-T36 PolarHBondContact O-N 3.14Å
35H76.7Confident80.6Confident105 Ų10588.1 Ų88.149%0.48650%0.496SS..  trans-74.392.1176.4-72.3-153.4000111.5L31 Q33 G37 R42L31-H35 PolarHBondContact O-CD2 3.36Å; L31-H35 PolarHBondContact O-N 2.98Å; Q33-H35 VanDerWaalsContact C-N 3.25Å; Q33-H35 PolarHBondContact O-N 3.31Å; H35-G37 PolarHBondContact O-N 3.07Å; H35-R42 VanDerWaalsContact CB-NH1 3.34Å; H35-R42 PolarHBondContact ND1-NH2 3.02Å
36T80.8Confident80Confident141 Ų14190.2 Ų90.287%0.86551%0.505SS*.  trans-68-14.3175.953.20000114.6L34 V38L34-T36 PolarHBondContact O-N 3.14Å; T36-V38 PolarHBondContact O-N 3.44Å
37G79.9Confident79.1Confident48 Ų4897.5 Ų97.550%0.49553%0.528SS..  trans-76116.417700000113.3H35 R42H35-G37 PolarHBondContact O-N 3.07Å; G37-R42 PolarHBondContact O-NH1 3.26Å; G37-R42 VanDerWaalsContact O-NH1 3.11Å
38V73.5Confident78Confident132 Ų13297.8 Ų97.880%0.853%0.53SS*.  trans-91.7123.7168.8-176.50000109T36T36-V38 PolarHBondContact O-N 3.44Å
39D78.9Confident76.4Confident77 Ų77100 Ų10041%0.41254%0.544SS..  trans-131.5136.5176.5162.140.4000108.6D41 R42 C43D39-D41 PolarHBondContact OD1-N 3.12Å; D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 WeakPolarHBondContact OD2-CB 3.3Å; D39-R42 PolarHBondContact OD2-N 2.71Å; D39-C43 PolarHBondContact O-N 3.47Å; D39-C43 PolarHBondContact O-SG 3.42Å
40V78.1Confident75Confident109 Ų109104.5 Ų104.566%0.66156%0.56SS**Hα-helixtrans-64.8-42.5-177.21800000110.4R42 C43 V44V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.35Å; V40-C43 PolarHBondContact O-N 3.13Å; V40-V44 HydrophobicContact CG1-CG2 4.45Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.47Å
41D78.8Confident73.3Confident124 Ų124104.8 Ų104.866%0.66358%0.575SS**Hα-helixtrans-65.6-39.4179.4-74.3-24.2000110.8D39 V44 A45D39-D41 PolarHBondContact OD1-N 3.12Å; D41-V44 PolarHBondContact O-N 3.13Å; D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.27Å; D41-A45 PolarHBondContact O-N 3Å
42R75.3Confident71.9Confident69 Ų69106.9 Ų106.926%0.2659%0.593SS.*Hα-helixtrans-63.6-38.8171.8-170.2176.8179.5-135.6-2.6113.5H35 G37 D39 V40 K46H35-R42 VanDerWaalsContact CB-NH1 3.34Å; H35-R42 PolarHBondContact ND1-NH2 3.02Å; G37-R42 PolarHBondContact O-NH1 3.26Å; G37-R42 VanDerWaalsContact O-NH1 3.11Å; D39-R42 HydrophobicContact CB-CB 3.93Å; D39-R42 PolarHBondContact O-N 3.03Å; D39-R42 WeakPolarHBondContact OD2-CB 3.3Å; D39-R42 PolarHBondContact OD2-N 2.71Å; V40-R42 VanDerWaalsContact C-N 3.33Å; V40-R42 PolarHBondContact O-N 3.35Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å; R42-K46 PolarHBondContact O-N 2.92Å; R42-K46 VanDerWaalsContact O-N 3.1Å
43C72.1Confident70.9Confident28 Ų28107.2 Ų107.219%0.18961%0.611CS.*Hα-helixtrans-66.9-42.1174.6-77.60000112.1D39 V40 K46 R47 Q48 F50D39-C43 PolarHBondContact O-N 3.47Å; D39-C43 PolarHBondContact O-SG 3.42Å; V40-C43 PolarHBondContact O-N 3.13Å; C43-K46 PolarHBondContact O-N 3.43Å; C43-R47 PolarHBondContact O-N 3.24Å; C43-Q48 PolarHBondContact O-N 3Å; C43-F50 HydrophobicContact CB-CE2 4.49Å
44V71.8Confident69.8Low101 Ų101105.8 Ų105.861%0.61262%0.616SS**Hα-helixtrans-64.7-41.3174.6171.40000111.2V40 D41 K46 R47V40-V44 HydrophobicContact CG1-CG2 4.45Å; V40-V44 WeakPolarHBondContact O-CG2 3.28Å; V40-V44 PolarHBondContact O-N 3.47Å; D41-V44 PolarHBondContact O-N 3.13Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.78Å; V44-R47 WeakPolarHBondContact O-CA 3.43Å; V44-R47 PolarHBondContact O-N 3.1Å
45A73.5Confident68.8Low81 Ų81107 Ų10767%0.66962%0.622SS**Hα-helixtrans-62.2-36.6175.900000112.7D41 R47D41-A45 VanDerWaalsContact O-CB 3.29Å; D41-A45 WeakPolarHBondContact O-CB 3.27Å; D41-A45 PolarHBondContact O-N 3Å; A45-R47 PolarHBondContact O-N 3.29Å
46K71.8Confident68.4Low74 Ų74109.1 Ų109.132%0.32263%0.627SS.*THydrogen-bonded Turntrans-71.9-0.2171.1-70.9178.5-178.5-174.70114Q32 R42 C43 V44 Q48Q32-K46 VanDerWaalsContact OE1-NZ 3.13Å; R42-K46 WeakPolarHBondContact O-CG 3.49Å; R42-K46 PolarHBondContact O-N 2.92Å; R42-K46 VanDerWaalsContact O-N 3.1Å; C43-K46 PolarHBondContact O-N 3.43Å; V44-K46 VanDerWaalsContact C-N 3.32Å; V44-K46 PolarHBondContact O-N 2.78Å; K46-Q48 HydrophobicContact CB-CG 4.16Å; K46-Q48 PolarHBondContact O-N 3.47Å; K46-Q48 VanDerWaalsContact O-N 3.12Å
47R66.2Low67.7Low212 Ų212112.2 Ų112.280%0.862%0.623SS**THydrogen-bonded Turntrans54.826.3-178.1-45.4-176.483.4-171.85.4113.4C43 V44 A45 C49C43-R47 PolarHBondContact O-N 3.24Å; V44-R47 WeakPolarHBondContact O-CA 3.43Å; V44-R47 PolarHBondContact O-N 3.1Å; A45-R47 PolarHBondContact O-N 3.29Å; R47-C49 PolarHBondContact O-N 2.62Å; R47-C49 PolarHBondContact O-SG 2.68Å; R47-C49 VanDerWaalsContact O-SG 3.35Å
48Q63.6Low67.1Low101 Ų101112.7 Ų112.747%0.47262%0.618SS.*  trans-69.597.7175.2-73.3-174.1-17.600108.7C43 K46 F50C43-Q48 PolarHBondContact O-N 3Å; K46-Q48 HydrophobicContact CB-CG 4.16Å; K46-Q48 PolarHBondContact O-N 3.47Å; K46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-F50 HydrophobicContact CB-CE2 4.35Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; Q48-F50 PolarHBondContact O-N 2.73Å
49C51.6Low66.8Low122 Ų122107.8 Ų107.882%0.82459%0.586SS**  trans-82.6101.7177.9-62.10000108.2R47 A51R47-C49 PolarHBondContact O-N 2.62Å; R47-C49 PolarHBondContact O-SG 2.68Å; R47-C49 VanDerWaalsContact O-SG 3.35Å; C49-A51 PolarHBondContact O-N 2.92Å
50F56.7Low66.6Low164 Ų164107 Ų10772%0.71960%0.596SS**  trans-69.898.4168.5-61.5-81.3000108.2C43 Q48C43-F50 HydrophobicContact CB-CE2 4.49Å; Q48-F50 HydrophobicContact CB-CE2 4.35Å; Q48-F50 HydrophobicContact CB-CZ 4.5Å; Q48-F50 PolarHBondContact O-N 2.73Å
51A53Low66.6Low87 Ų87110.5 Ų110.572%0.71961%0.605SS**  trans-59.3136.5165.700000108.3C49C49-A51 PolarHBondContact O-N 2.92Å
52P56.6Low66.6Low120 Ų120110.9 Ų110.978%0.77960%0.603SS**  trans-58.8144.717127.6-34.1000108.6S54P52-S54 PolarHBondContact O-N 3.4Å
53A59.6Low66.7Low96 Ų96109.1 Ų109.179%0.79360%0.603SS**  trans-55.3109.4179.100000109.9L55A53-L55 PolarHBondContact O-N 3.36Å; A53-L55 VanDerWaalsContact O-N 3.13Å
54S60.7Low67.1Low110 Ų110110.3 Ų110.377%0.76962%0.615SS**  trans-65.8113.2174.950.40000107.9P52 Y56P52-S54 PolarHBondContact O-N 3.4Å; S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 3.37Å
55L65.1Low67.7Low145 Ų145108.9 Ų108.976%0.75962%0.62SS**  trans-69.288.5171.6-69.8175.1000108.4A53 R57A53-L55 PolarHBondContact O-N 3.36Å; A53-L55 VanDerWaalsContact O-N 3.13Å; L55-R57 PolarHBondContact O-N 2.99Å; L55-R57 VanDerWaalsContact O-N 3.12Å
56Y68.1Low68.3Low151 Ų151111.9 Ų111.959%0.59263%0.63SS**  trans-58.2114.8170.8-179.1-119000108.2S54 P58 E79S54-Y56 VanDerWaalsContact C-N 3.26Å; S54-Y56 PolarHBondContact O-N 3.37Å; Y56-P58 VanDerWaalsContact C-CD 3.43Å; Y56-P58 HydrophobicContact CD1-CB 4.3Å; Y56-P58 HydrophobicContact CD1-CG 4.03Å; Y56-P58 HydrophobicContact CE1-CB 3.59Å; Y56-P58 HydrophobicContact CE1-CG 3.72Å; Y56-P58 HydrophobicContact CE2-CB 4.47Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; Y56-E79 PolarHBondContact OH-OE2 3.36Å
57R66.5Low68.8Low205 Ų205114.5 Ų114.577%0.77464%0.638SS**  trans-113.377.1178.8-74.6-175178.6-179.10.4108.5L55 F59L55-R57 PolarHBondContact O-N 2.99Å; L55-R57 VanDerWaalsContact O-N 3.12Å; R57-F59 PolarHBondContact O-N 3.21Å
58P67.3Low70Confident59 Ų59106.8 Ų106.838%0.38362%0.616SS.*  trans-60133.1-17521.1-30.6000111.6Y56 G60Y56-P58 VanDerWaalsContact C-CD 3.43Å; Y56-P58 HydrophobicContact CD1-CB 4.3Å; Y56-P58 HydrophobicContact CD1-CG 4.03Å; Y56-P58 HydrophobicContact CE1-CB 3.59Å; Y56-P58 HydrophobicContact CE1-CG 3.72Å; Y56-P58 HydrophobicContact CE2-CB 4.47Å; Y56-P58 WeakPolarHBondContact O-CD 3.44Å; P58-G60 PolarHBondContact O-N 3.41Å
59F68.3Low71.3Confident29 Ų29108 Ų10813%0.12763%0.626CS.*SBendtrans57.9-15.5165.7-40.5-59.7000119.6R57 E61 Q62 A63 F72 L75 Q76 E79R57-F59 PolarHBondContact O-N 3.21Å; F59-E61 PolarHBondContact O-N 3.28Å; F59-Q62 VanDerWaalsContact O-CB 3.26Å; F59-Q62 WeakPolarHBondContact O-CB 3.07Å; F59-Q62 PolarHBondContact O-N 3.09Å; F59-A63 HydrophobicContact CB-CB 3.38Å; F59-A63 HydrophobicContact CD2-CB 4.23Å; F59-A63 HydrophobicContact CG-CB 3.96Å; F59-F72 AromaticContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CZ 4.27Å; F59-F72 AromaticContact CE2-CE2 3.59Å; F59-F72 HydrophobicContact CE2-CE2 3.59Å; F59-F72 AromaticContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CG-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CE2 4.16Å; F59-F72 HydrophobicContact CZ-CZ 4.08Å; F59-L75 HydrophobicContact CD1-CB 4.04Å; F59-L75 HydrophobicContact CE1-CB 4.39Å; F59-Q76 HydrophobicContact CE1-CG 4.04Å; F59-Q76 HydrophobicContact CZ-CG 3.76Å; F59-E79 HydrophobicContact CE1-CB 4.33Å; F59-E79 VanDerWaalsContact CE1-OE2 3.26Å; F59-E79 WeakPolarHBondContact CE1-OE2 3.41Å
60G73.4Confident73.2Confident61 Ų61105.9 Ų105.963%0.62961%0.612SS**THydrogen-bonded Turntrans48.2-132.9179.200000113.9P58 Q62P58-G60 PolarHBondContact O-N 3.41Å; G60-Q62 PolarHBondContact O-N 3.32Å
61E78.6Confident74.7Confident181 Ų181102.9 Ų102.985%0.84660%0.6SS**THydrogen-bonded Turntrans-73.1-12.2175.5-62.4179.6173.700113.4F59 A64F59-E61 PolarHBondContact O-N 3.28Å; E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 2.76Å; E61-A64 VanDerWaalsContact O-N 3.13Å
62Q79.2Confident76.4Confident133 Ų133102.5 Ų102.562%0.62158%0.582SS**THydrogen-bonded Turntrans-77.4-29.3-170.6-57.8152.41.100112.1F59 G60 L75F59-Q62 VanDerWaalsContact O-CB 3.26Å; F59-Q62 WeakPolarHBondContact O-CB 3.07Å; F59-Q62 PolarHBondContact O-N 3.09Å; G60-Q62 PolarHBondContact O-N 3.32Å; Q62-L75 HydrophobicContact CB-CD2 4.33Å
63A76.5Confident78.1Confident31 Ų31101.4 Ų101.426%0.25657%0.567SS.*THydrogen-bonded Turntrans-90.39.3167.900000113.7F59 L75F59-A63 HydrophobicContact CB-CB 3.38Å; F59-A63 HydrophobicContact CD2-CB 4.23Å; F59-A63 HydrophobicContact CG-CB 3.96Å; A63-L75 HydrophobicContact CB-CD1 4.2Å
64A80.7Confident79.5Confident54 Ų5499.9 Ų99.945%0.44655%0.554SS.*  trans-69.8140.9178.100000112.2E61 R67E61-A64 WeakPolarHBondContact O-CB 3.3Å; E61-A64 PolarHBondContact O-N 2.76Å; E61-A64 VanDerWaalsContact O-N 3.13Å; A64-R67 PolarHBondContact O-NH2 2.81Å; A64-R67 VanDerWaalsContact O-NH2 3.07Å
65G84.3Confident80.8Confident70 Ų7096.9 Ų96.972%0.72253%0.529SS*.SBendtrans84.3-165.4-178.100000113.6
66V86.6Confident81.9Confident145 Ų14593.3 Ų93.388%0.87951%0.509SS*.  trans-82.5130.8178.6-175.70000109.4
67R82.6Confident82.8Confident129 Ų12989.7 Ų89.749%0.48750%0.5SS..  trans-132.4151.1175.8-62.4-65.1154128.16.3110.4A64 Q71A64-R67 PolarHBondContact O-NH2 2.81Å; A64-R67 VanDerWaalsContact O-NH2 3.07Å; R67-Q71 HydrophobicContact CB-CB 4.21Å
68S91.8Very high83.9Confident49 Ų4981.4 Ų81.434%0.34348%0.478SS..  trans-70.8156.1169.569.20000110.6S70 Q71 F72S68-S70 PolarHBondContact O-N 2.86Å; S68-S70 PolarHBondContact OG-OG 3.49Å; S68-Q71 PolarHBondContact O-N 3.16Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CB 3.49Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-N 3.36Å; S68-Q71 VanDerWaalsContact OG-N 3.12Å; S68-F72 PolarHBondContact O-N 3.18Å
69L89.2Confident84.8Confident128 Ų12880.5 Ų80.567%0.6747%0.468SS*.Hα-helixtrans-54.8-38173.7176.1144.4000111.9F72 Q73L69-F72 PolarHBondContact O-N 3.4Å; L69-Q73 HydrophobicContact CD2-CG 4.4Å; L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 WeakPolarHBondContact O-CG 3.34Å; L69-Q73 PolarHBondContact O-N 3.44Å
70S92.3Very high85.7Confident76 Ų7684.7 Ų84.753%0.53149%0.486SS..Hα-helixtrans-66.7-39.1175.250.90000113.9S68 F72 A74S68-S70 PolarHBondContact O-N 2.86Å; S68-S70 PolarHBondContact OG-OG 3.49Å; S70-F72 VanDerWaalsContact C-N 3.34Å; S70-A74 PolarHBondContact O-N 2.85Å
71Q89.2Confident86.3Confident101 Ų10188.2 Ų88.247%0.47249%0.487SS..Hα-helixtrans-66.7-38.2174.6-73.7163.8-2.500111.2R67 S68 L75R67-Q71 HydrophobicContact CB-CB 4.21Å; S68-Q71 PolarHBondContact O-N 3.16Å; S68-Q71 VanDerWaalsContact O-N 3.07Å; S68-Q71 WeakPolarHBondContact OG-CB 3.49Å; S68-Q71 WeakPolarHBondContact OG-CG 3.41Å; S68-Q71 PolarHBondContact OG-N 3.36Å; S68-Q71 VanDerWaalsContact OG-N 3.12Å; Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.13Å
72F88.3Confident86.7Confident80 Ų8082.7 Ų82.735%0.35146%0.462SS..Hα-helixtrans-68.8-42.9176.4-174.9-105.6000112.1F59 S68 L69 S70 A74 L75 Q76F59-F72 AromaticContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CE2 3.77Å; F59-F72 HydrophobicContact CD2-CZ 4.27Å; F59-F72 AromaticContact CE2-CE2 3.59Å; F59-F72 HydrophobicContact CE2-CE2 3.59Å; F59-F72 AromaticContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CE2-CZ 3.63Å; F59-F72 HydrophobicContact CG-CE2 4.48Å; F59-F72 HydrophobicContact CZ-CE2 4.16Å; F59-F72 HydrophobicContact CZ-CZ 4.08Å; S68-F72 PolarHBondContact O-N 3.18Å; L69-F72 PolarHBondContact O-N 3.4Å; S70-F72 VanDerWaalsContact C-N 3.34Å; F72-A74 PolarHBondContact O-N 3.39Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.82Å; F72-L75 VanDerWaalsContact O-N 3.15Å; F72-Q76 HydrophobicContact CD1-CG 4.2Å; F72-Q76 HydrophobicContact CE1-CG 3.92Å; F72-Q76 VanDerWaalsContact CE1-NE2 3.26Å; F72-Q76 HydrophobicContact CZ-CG 4.25Å; F72-Q76 WeakPolarHBondContact O-CG 3.39Å; F72-Q76 PolarHBondContact O-N 2.75Å
73Q91Very high87Confident96 Ų9679.1 Ų79.145%0.44945%0.45SS..Hα-helixtrans-57.3-46.3173.3-77.1173.1-3200111.8L69 L75 Q76 D77L69-Q73 HydrophobicContact CD2-CG 4.4Å; L69-Q73 WeakPolarHBondContact O-CB 3.43Å; L69-Q73 WeakPolarHBondContact O-CG 3.34Å; L69-Q73 PolarHBondContact O-N 3.44Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 2.82Å; Q73-Q76 WeakPolarHBondContact O-CB 3.32Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q73-D77 PolarHBondContact O-N 3.05Å
74A89.9Confident87.5Confident64 Ų6479.5 Ų79.553%0.52945%0.453SS..Hα-helixtrans-59.4-36.1176.100000113.2S70 F72 G78S70-A74 PolarHBondContact O-N 2.85Å; F72-A74 PolarHBondContact O-N 3.39Å; A74-G78 PolarHBondContact O-N 3.07Å
75L88.4Confident87.8Confident48 Ų4877.7 Ų77.725%0.25144%0.435SS..Hα-helixtrans-68.5-39.8172.6-69.3173.2000112.1F59 Q62 A63 Q71 F72 Q73 E79F59-L75 HydrophobicContact CD1-CB 4.04Å; F59-L75 HydrophobicContact CE1-CB 4.39Å; Q62-L75 HydrophobicContact CB-CD2 4.33Å; A63-L75 HydrophobicContact CB-CD1 4.2Å; Q71-L75 WeakPolarHBondContact O-CG 3.37Å; Q71-L75 PolarHBondContact O-N 3.13Å; F72-L75 WeakPolarHBondContact O-CB 3.46Å; F72-L75 PolarHBondContact O-N 2.82Å; F72-L75 VanDerWaalsContact O-N 3.15Å; Q73-L75 VanDerWaalsContact C-N 3.28Å; Q73-L75 PolarHBondContact O-N 2.82Å; L75-E79 WeakPolarHBondContact O-CB 3.32Å; L75-E79 PolarHBondContact O-N 3.27Å
76Q86.8Confident88Confident69 Ų6979.2 Ų79.232%0.32242%0.424SS..Hα-helixtrans-63.1-43.6174.6-63.9-152.1-34.500112.4F59 F72 Q73 E79 K80F59-Q76 HydrophobicContact CE1-CG 4.04Å; F59-Q76 HydrophobicContact CZ-CG 3.76Å; F72-Q76 HydrophobicContact CD1-CG 4.2Å; F72-Q76 HydrophobicContact CE1-CG 3.92Å; F72-Q76 VanDerWaalsContact CE1-NE2 3.26Å; F72-Q76 HydrophobicContact CZ-CG 4.25Å; F72-Q76 WeakPolarHBondContact O-CG 3.39Å; F72-Q76 PolarHBondContact O-N 2.75Å; Q73-Q76 WeakPolarHBondContact O-CB 3.32Å; Q73-Q76 PolarHBondContact O-N 3.29Å; Q76-E79 PolarHBondContact O-N 3.42Å; Q76-K80 VanDerWaalsContact O-CG 3.25Å; Q76-K80 WeakPolarHBondContact O-CG 3.43Å; Q76-K80 PolarHBondContact O-N 3.36Å
77D88.3Confident87.9Confident76 Ų7678 Ų7841%0.40641%0.409SS..Hα-helixtrans-70.9-39.7-177-63.5-30.2000110.8Q73 E79 K80 E81Q73-D77 PolarHBondContact O-N 3.05Å; D77-E79 PolarHBondContact O-N 3.03Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 2.78Å; D77-K80 PolarHBondContact OD1-NZ 3.27Å; D77-E81 WeakPolarHBondContact O-CG 3.5Å; D77-E81 PolarHBondContact O-N 3.2Å
78G88.3Confident87.9Confident30 Ų3073.5 Ų73.531%0.30939%0.394SS..Hα-helixtrans-62.4-37.1169.900000114A74 E81 L82A74-G78 PolarHBondContact O-N 3.07Å; G78-E81 PolarHBondContact O-N 3.03Å; G78-L82 WeakPolarHBondContact O-CB 3.35Å; G78-L82 WeakPolarHBondContact O-CG 3.48Å; G78-L82 PolarHBondContact O-N 2.89Å
79E86.2Confident87.5Confident40 Ų4073.7 Ų73.719%0.18740%0.404CS..Hα-helixtrans-67.5-41.4174.2-172.6176.2-12900111.7Y56 F59 L75 Q76 D77 E81 L82 V83Y56-E79 PolarHBondContact OH-OE2 3.36Å; F59-E79 HydrophobicContact CE1-CB 4.33Å; F59-E79 VanDerWaalsContact CE1-OE2 3.26Å; F59-E79 WeakPolarHBondContact CE1-OE2 3.41Å; L75-E79 WeakPolarHBondContact O-CB 3.32Å; L75-E79 PolarHBondContact O-N 3.27Å; Q76-E79 PolarHBondContact O-N 3.42Å; D77-E79 PolarHBondContact O-N 3.03Å; E79-E81 PolarHBondContact O-N 3.04Å; E79-L82 PolarHBondContact O-N 3.34Å; E79-V83 HydrophobicContact CG-CG2 4.49Å; E79-V83 WeakPolarHBondContact O-CG2 3.3Å; E79-V83 PolarHBondContact O-N 3.44Å
80K87.1Confident87.3Confident117 Ų11768.1 Ų68.151%0.50938%0.375SS..Hα-helixtrans-60.3-44.1173.8-68.4163.7-155161.90111.7Q76 D77 V83 A84Q76-K80 VanDerWaalsContact O-CG 3.25Å; Q76-K80 WeakPolarHBondContact O-CG 3.43Å; Q76-K80 PolarHBondContact O-N 3.36Å; D77-K80 PolarHBondContact O-N 3.39Å; D77-K80 IonicContact OD1-NZ 2.78Å; D77-K80 PolarHBondContact OD1-NZ 3.27Å; K80-V83 PolarHBondContact O-N 3.01Å; K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.47Å; K80-A84 PolarHBondContact O-N 3.36Å
81E87.8Confident87.1Confident135 Ų13568.4 Ų68.463%0.63137%0.373SS*.Hα-helixtrans-62.2-44.7176-74.1-178-171.900111.8D77 G78 E79 A84 L85D77-E81 WeakPolarHBondContact O-CG 3.5Å; D77-E81 PolarHBondContact O-N 3.2Å; G78-E81 PolarHBondContact O-N 3.03Å; E79-E81 PolarHBondContact O-N 3.04Å; E81-A84 PolarHBondContact O-N 3.08Å; E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 3.13Å
82L86.6Confident87Confident65 Ų6568.7 Ų68.734%0.3438%0.378SS..Hα-helixtrans-60.1-47.6175.7-80.6171.9000112.4G78 E79 L85 Q86 I95 Q99G78-L82 WeakPolarHBondContact O-CB 3.35Å; G78-L82 WeakPolarHBondContact O-CG 3.48Å; G78-L82 PolarHBondContact O-N 2.89Å; E79-L82 PolarHBondContact O-N 3.34Å; L82-L85 PolarHBondContact O-N 3.03Å; L82-Q86 WeakPolarHBondContact O-CG 3.47Å; L82-Q86 PolarHBondContact O-N 3.32Å; L82-I95 HydrophobicContact CD2-CG2 3.62Å; L82-Q99 VanDerWaalsContact CD2-NE2 3.32Å
83V85.9Confident86.8Confident59 Ų5968.1 Ų68.136%0.35839%0.388SS..Hα-helixtrans-63.3-43.2177.81720000110.7E79 K80 L85 Q86 E87E79-V83 HydrophobicContact CG-CG2 4.49Å; E79-V83 WeakPolarHBondContact O-CG2 3.3Å; E79-V83 PolarHBondContact O-N 3.44Å; K80-V83 PolarHBondContact O-N 3.01Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.96Å; V83-Q86 PolarHBondContact O-N 2.96Å; V83-Q86 VanDerWaalsContact O-N 3.09Å; V83-E87 HydrophobicContact CG1-CG 4.29Å; V83-E87 WeakPolarHBondContact O-CB 3.4Å; V83-E87 WeakPolarHBondContact O-CG 3.48Å; V83-E87 PolarHBondContact O-N 3.48Å
84A87.1Confident86.7Confident38 Ų3865.8 Ų65.831%0.31438%0.377SS..Hα-helixtrans-59.9-36.3176.400000112.7K80 E81 L88 R135K80-A84 VanDerWaalsContact O-CB 3.3Å; K80-A84 WeakPolarHBondContact O-CB 3.47Å; K80-A84 PolarHBondContact O-N 3.36Å; E81-A84 PolarHBondContact O-N 3.08Å; A84-L88 WeakPolarHBondContact O-CD1 3.24Å; A84-L88 WeakPolarHBondContact O-CG 3.2Å; A84-L88 PolarHBondContact O-N 3.28Å; A84-R135 PolarHBondContact O-NH1 3.01Å
85L87.2Confident86.6Confident16 Ų1663 Ų638%0.08435%0.353CS..Hα-helixtrans-72.9-33.3174-67.7169.2000112.9E81 L82 V83 L88 L90 I95 I132E81-L85 VanDerWaalsContact O-CG 3.25Å; E81-L85 WeakPolarHBondContact O-CG 3.46Å; E81-L85 PolarHBondContact O-N 3.13Å; L82-L85 PolarHBondContact O-N 3.03Å; V83-L85 VanDerWaalsContact C-N 3.27Å; V83-L85 PolarHBondContact O-N 2.96Å; L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 3.32Å; L85-L90 HydrophobicContact CB-CD1 4.03Å; L85-L90 HydrophobicContact CD2-CD1 3.56Å; L85-L90 HydrophobicContact CG-CD1 4.38Å; L85-L90 VanDerWaalsContact O-CB 3.3Å; L85-L90 WeakPolarHBondContact O-CB 3.06Å; L85-L90 WeakPolarHBondContact O-CG 3.45Å; L85-L90 PolarHBondContact O-N 3.46Å; L85-I95 HydrophobicContact CB-CD1 4.07Å; L85-I95 HydrophobicContact CB-CG1 4.04Å; L85-I95 HydrophobicContact CD1-CG2 4.13Å; L85-I132 HydrophobicContact CD2-CD1 4.48Å
86Q86.6Confident86.6Confident103 Ų10366.2 Ų66.248%0.48137%0.367SS..Hα-helixtrans-71.2-40.1173.2-72.9178.7-16.800112.1L82 V83 L88 G89 I95L82-Q86 WeakPolarHBondContact O-CG 3.47Å; L82-Q86 PolarHBondContact O-N 3.32Å; V83-Q86 PolarHBondContact O-N 2.96Å; V83-Q86 VanDerWaalsContact O-N 3.09Å; Q86-L88 PolarHBondContact O-N 2.63Å; Q86-G89 WeakPolarHBondContact O-CA 3.45Å; Q86-G89 PolarHBondContact O-N 2.94Å; Q86-I95 HydrophobicContact CG-CD1 3.63Å
87E84.5Confident86.6Confident120 Ų12064.6 Ų64.656%0.56136%0.361SS*.Hα-helixtrans-63.5-24.1173.1-72.7177.8169.200113.3V83 G89 R135V83-E87 HydrophobicContact CG1-CG 4.29Å; V83-E87 WeakPolarHBondContact O-CB 3.4Å; V83-E87 WeakPolarHBondContact O-CG 3.48Å; V83-E87 PolarHBondContact O-N 3.48Å; E87-G89 PolarHBondContact O-N 2.88Å; E87-R135 VanDerWaalsContact CB-NH1 3.29Å; E87-R135 IonicContact OE2-CZ 2.82Å; E87-R135 IonicContact OE2-NH1 3.72Å; E87-R135 PolarHBondContact OE2-NH1 3.15Å; E87-R135 VanDerWaalsContact OE2-NH1 3.13Å; E87-R135 IonicContact OE2-NH2 3.04Å; E87-R135 PolarHBondContact OE2-NH2 2.89Å
88L83.8Confident86.6Confident33 Ų3362.7 Ų62.717%0.17335%0.348CS..THydrogen-bonded Turntrans-71.1-4.9169.3-85.1158.3000113.5A84 L85 Q86 L90 K131 I132 R135A84-L88 WeakPolarHBondContact O-CD1 3.24Å; A84-L88 WeakPolarHBondContact O-CG 3.2Å; A84-L88 PolarHBondContact O-N 3.28Å; L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 PolarHBondContact O-N 3.32Å; Q86-L88 PolarHBondContact O-N 2.63Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 HydrophobicContact CB-CD1 4.24Å; L88-L90 HydrophobicContact CB-CG 4.06Å; L88-K131 WeakPolarHBondContact CD2-O 3.41Å; L88-I132 HydrophobicContact CD1-CG1 3.67Å; L88-I132 HydrophobicContact CD2-CG1 4.35Å; L88-R135 HydrophobicContact CD2-CB 3.39Å; L88-R135 HydrophobicContact CD2-CG 3.96Å
89G82.2Confident86.6Confident54 Ų5466.2 Ų66.256%0.55736%0.356SS*.THydrogen-bonded Turntrans70.528.2-175.400000113.2Q86 E87Q86-G89 WeakPolarHBondContact O-CA 3.45Å; Q86-G89 PolarHBondContact O-N 2.94Å; E87-G89 PolarHBondContact O-N 2.88Å
90L86Confident86.5Confident11 Ų1168.6 Ų68.66%0.05837%0.37CS..  trans-81.2137.7172.1-60.1172.4000110.2L85 L88 E94 I95 I128 K131L85-L90 HydrophobicContact CB-CD1 4.03Å; L85-L90 HydrophobicContact CD2-CD1 3.56Å; L85-L90 HydrophobicContact CG-CD1 4.38Å; L85-L90 VanDerWaalsContact O-CB 3.3Å; L85-L90 WeakPolarHBondContact O-CB 3.06Å; L85-L90 WeakPolarHBondContact O-CG 3.45Å; L85-L90 PolarHBondContact O-N 3.46Å; L88-L90 VanDerWaalsContact C-N 3.32Å; L88-L90 HydrophobicContact CB-CD1 4.24Å; L88-L90 HydrophobicContact CB-CG 4.06Å; L90-E94 HydrophobicContact CB-CB 4.24Å; L90-E94 HydrophobicContact CD2-CB 4.24Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.7Å; L90-I95 HydrophobicContact CD1-CG1 4.5Å; L90-I128 HydrophobicContact CD1-CG2 3.95Å; L90-I128 HydrophobicContact CD2-CB 4.48Å; L90-I128 HydrophobicContact CD2-CG1 4.06Å; L90-I128 HydrophobicContact CD2-CG2 4.12Å; L90-K131 HydrophobicContact CD2-CD 3.41Å; L90-K131 VanDerWaalsContact CD2-CD 3.41Å
91T87.8Confident86.4Confident81 Ų8168.3 Ų68.350%0.49737%0.366SS..  trans-74.6154.1171.256.90000110.9A93 E94 I95T91-A93 PolarHBondContact O-N 2.73Å; T91-E94 PolarHBondContact N-OE2 3.4Å; T91-E94 WeakPolarHBondContact O-CA 3.4Å; T91-E94 WeakPolarHBondContact O-CB 3.45Å; T91-E94 PolarHBondContact O-N 2.66Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.26Å; T91-E94 PolarHBondContact OG1-N 3.27Å; T91-E94 PolarHBondContact OG1-OE2 3.48Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.07Å
92D86.6Confident85.8Confident107 Ų10767.8 Ų67.857%0.57237%0.367SS*.Hα-helixtrans-54.7-32.6-179.6-58.7-45.4000112.9I95 Q96D92-I95 PolarHBondContact O-N 2.94Å; D92-Q96 WeakPolarHBondContact O-CB 3.28Å; D92-Q96 VanDerWaalsContact O-CG 3.26Å; D92-Q96 WeakPolarHBondContact O-CG 3.46Å; D92-Q96 PolarHBondContact O-N 3.39Å
93A85.6Confident85.3Confident69 Ų6966.7 Ų66.757%0.5737%0.368SS*.Hα-helixtrans-70.5-35.1174.500000113.5T91 L97T91-A93 PolarHBondContact O-N 2.73Å; A93-L97 WeakPolarHBondContact O-CB 3.11Å; A93-L97 PolarHBondContact O-N 2.76Å; A93-L97 VanDerWaalsContact O-N 3.13Å
94E89Confident84.3Confident46 Ų4668.8 Ų68.822%0.21538%0.383CS..Hα-helixtrans-69.4-39.6170.9-72.7168122.100111L90 T91 L97 W98 I128 K131L90-E94 HydrophobicContact CB-CB 4.24Å; L90-E94 HydrophobicContact CD2-CB 4.24Å; T91-E94 PolarHBondContact N-OE2 3.4Å; T91-E94 WeakPolarHBondContact O-CA 3.4Å; T91-E94 WeakPolarHBondContact O-CB 3.45Å; T91-E94 PolarHBondContact O-N 2.66Å; T91-E94 VanDerWaalsContact OG1-CG 3.32Å; T91-E94 WeakPolarHBondContact OG1-CG 3.26Å; T91-E94 PolarHBondContact OG1-N 3.27Å; T91-E94 PolarHBondContact OG1-OE2 3.48Å; E94-L97 PolarHBondContact O-N 3.47Å; E94-W98 WeakPolarHBondContact O-CB 3.2Å; E94-W98 PolarHBondContact O-N 2.76Å; E94-I128 HydrophobicContact CB-CD1 3.9Å; E94-I128 HydrophobicContact CB-CG1 4.23Å; E94-I128 HydrophobicContact CG-CD1 4.32Å; E94-I128 HydrophobicContact CG-CG1 4.45Å; E94-I128 WeakPolarHBondContact O-CD1 3.4Å; E94-K131 IonicContact OE1-NZ 2.69Å; E94-K131 PolarHBondContact OE1-NZ 2.96Å; E94-K131 IonicContact OE2-NZ 2.66Å; E94-K131 PolarHBondContact OE2-NZ 3.47Å
95I87.9Confident83Confident5 Ų573.5 Ų73.53%0.02640%0.402CS..Hα-helixtrans-63.6-48.2177.7-63.9177.5000110.8L82 L85 Q86 L90 T91 D92 L97 W98 Q99L82-I95 HydrophobicContact CD2-CG2 3.62Å; L85-I95 HydrophobicContact CB-CD1 4.07Å; L85-I95 HydrophobicContact CB-CG1 4.04Å; L85-I95 HydrophobicContact CD1-CG2 4.13Å; Q86-I95 HydrophobicContact CG-CD1 3.63Å; L90-I95 HydrophobicContact CB-CD1 4.22Å; L90-I95 HydrophobicContact CB-CG1 3.7Å; L90-I95 HydrophobicContact CD1-CG1 4.5Å; T91-I95 WeakPolarHBondContact O-CG1 3.41Å; T91-I95 PolarHBondContact O-N 3.07Å; D92-I95 PolarHBondContact O-N 2.94Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.91Å; I95-W98 WeakPolarHBondContact O-CB 2.92Å; I95-W98 PolarHBondContact O-N 2.73Å; I95-W98 VanDerWaalsContact O-N 3.17Å; I95-Q99 WeakPolarHBondContact O-CG 3.39Å; I95-Q99 PolarHBondContact O-N 3.5Å
96Q87.5Confident81.5Confident116 Ų11680 Ų8054%0.54244%0.435SS..Hα-helixtrans-61-38.8174.9-73.4172.28.400112.2D92 W98 N100D92-Q96 WeakPolarHBondContact O-CB 3.28Å; D92-Q96 VanDerWaalsContact O-CG 3.26Å; D92-Q96 WeakPolarHBondContact O-CG 3.46Å; D92-Q96 PolarHBondContact O-N 3.39Å; Q96-W98 VanDerWaalsContact C-N 3.34Å; Q96-N100 WeakPolarHBondContact O-CB 3.4Å; Q96-N100 PolarHBondContact O-N 2.93Å; Q96-N100 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-ND2 2.87Å
97L87.1Confident79.7Confident35 Ų3581 Ų8118%0.18345%0.453CS..Hα-helixtrans-69-32.5176.6179.7147.1000112.1A93 E94 I95 N100 R101 R124 L125 I128A93-L97 WeakPolarHBondContact O-CB 3.11Å; A93-L97 PolarHBondContact O-N 2.76Å; A93-L97 VanDerWaalsContact O-N 3.13Å; E94-L97 PolarHBondContact O-N 3.47Å; I95-L97 VanDerWaalsContact C-N 3.31Å; I95-L97 PolarHBondContact O-N 2.91Å; L97-N100 CarbonylContact O-C 3.59Å; L97-R101 PolarHBondContact O-N 3.35Å; L97-R124 HydrophobicContact CD1-CB 4.19Å; L97-R124 HydrophobicContact CD2-CB 4.11Å; L97-L125 HydrophobicContact CD2-CD2 3.59Å; L97-L125 HydrophobicContact CD2-CG 3.79Å; L97-I128 HydrophobicContact CD2-CD1 3.62Å
98W88.6Confident78Confident37 Ų3778.7 Ų78.714%0.1446%0.461CS..Hα-helixtrans-71.8-42.7174.5-176.3-111.1000112.9E94 I95 Q96 N100 R101 L125 I128 R129 I132E94-W98 WeakPolarHBondContact O-CB 3.2Å; E94-W98 PolarHBondContact O-N 2.76Å; I95-W98 WeakPolarHBondContact O-CB 2.92Å; I95-W98 PolarHBondContact O-N 2.73Å; I95-W98 VanDerWaalsContact O-N 3.17Å; Q96-W98 VanDerWaalsContact C-N 3.34Å; W98-N100 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.48Å; W98-R101 VanDerWaalsContact O-CB 3.26Å; W98-R101 WeakPolarHBondContact O-CB 3.36Å; W98-R101 WeakPolarHBondContact O-CD 3.47Å; W98-R101 VanDerWaalsContact O-CG 3.28Å; W98-R101 WeakPolarHBondContact O-CG 3.3Å; W98-R101 PolarHBondContact O-N 2.92Å; W98-L125 HydrophobicContact CE3-CD2 3.97Å; W98-L125 HydrophobicContact CZ3-CD2 4.45Å; W98-I128 HydrophobicContact CB-CD1 4.38Å; W98-I128 HydrophobicContact CB-CG2 4.3Å; W98-I128 HydrophobicContact CD2-CG2 3.68Å; W98-I128 HydrophobicContact CE3-CB 4Å; W98-I128 HydrophobicContact CE3-CG2 3.41Å; W98-I128 VanDerWaalsContact CE3-CG2 3.41Å; W98-I128 HydrophobicContact CG-CG2 4.09Å; W98-I128 HydrophobicContact CZ3-CB 4.36Å; W98-I128 HydrophobicContact CZ3-CG2 3.95Å; W98-R129 HydrophobicContact CH2-CG 3.72Å; W98-R129 HydrophobicContact CZ3-CG 3.71Å; W98-I132 HydrophobicContact CD2-CD1 4.35Å; W98-I132 HydrophobicContact CH2-CD1 3.77Å; W98-I132 HydrophobicContact CZ2-CD1 3.38Å; W98-I132 HydrophobicContact CZ3-CD1 4.39Å
99Q87.2Confident76Confident104 Ų10483.5 Ų83.549%0.48649%0.487SS..Hα-helixtrans-62.1-39.8174.6-72.8176.1-24.100111.5L82 I95 R101L82-Q99 VanDerWaalsContact CD2-NE2 3.32Å; I95-Q99 WeakPolarHBondContact O-CG 3.39Å; I95-Q99 PolarHBondContact O-N 3.5Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.82Å
100N84.3Confident74.5Confident90 Ų9091.3 Ų91.348%0.48151%0.506SS..THydrogen-bonded Turntrans-89.425.4178.1-63.8-59.3000113.5Q96 L97 W98 A103 R121Q96-N100 WeakPolarHBondContact O-CB 3.4Å; Q96-N100 PolarHBondContact O-N 2.93Å; Q96-N100 VanDerWaalsContact O-N 3.1Å; Q96-N100 PolarHBondContact O-ND2 2.87Å; L97-N100 CarbonylContact O-C 3.59Å; W98-N100 VanDerWaalsContact C-N 3.3Å; W98-N100 PolarHBondContact O-N 3.48Å; N100-A103 HydrophobicContact CB-CB 4.31Å; N100-R121 PolarHBondContact O-NH2 2.93Å
101R85.1Confident72.8Confident110 Ų11095.3 Ų95.342%0.41553%0.534SS..THydrogen-bonded Turntrans-67.1-35.3-179.873.2-169.6-179.9-140.3-10113.3L97 W98 Q99 L125L97-R101 PolarHBondContact O-N 3.35Å; W98-R101 VanDerWaalsContact O-CB 3.26Å; W98-R101 WeakPolarHBondContact O-CB 3.36Å; W98-R101 WeakPolarHBondContact O-CD 3.47Å; W98-R101 VanDerWaalsContact O-CG 3.28Å; W98-R101 WeakPolarHBondContact O-CG 3.3Å; W98-R101 PolarHBondContact O-N 2.92Å; Q99-R101 VanDerWaalsContact C-N 3.28Å; Q99-R101 PolarHBondContact O-N 2.82Å; R101-L125 HydrophobicContact CB-CD1 4.29Å; R101-L125 HydrophobicContact CB-CD2 3.65Å
102D74.4Confident70.9Confident124 Ų12495.4 Ų95.466%0.66354%0.538SS*.SBendtrans-99.1-2.7-175.2-59.3-51.2000112.2
103A76.7Confident69.1Low42 Ų4294.5 Ų94.535%0.34755%0.554SS.*SBendtrans-68121.8175.700000109.9N100 R121N100-A103 HydrophobicContact CB-CB 4.31Å; A103-R121 PolarHBondContact O-NH2 2.94Å
104P65.2Low67.6Low103 Ų10397.2 Ų97.267%0.66956%0.563SS**  trans-64.8145.8177.927.8-34.4000110.4M106P104-M106 HydrophobicContact CB-CB 4.5Å; P104-M106 HydrophobicContact CB-CG 4.23Å; P104-M106 PolarHBondContact O-N 2.76Å
105D60.6Low66.2Low137 Ų137100.7 Ų100.773%0.73359%0.591SS**  trans-72.955.9175.9-74.1-37.1000112R121D105-R121 IonicContact OD1-CZ 2.67Å; D105-R121 IonicContact OD1-NH1 3.77Å; D105-R121 PolarHBondContact OD1-NH1 2.69Å; D105-R121 IonicContact OD2-NH1 3.7Å; D105-R121 PolarHBondContact OD2-NH1 2.91Å; D105-R121 VanDerWaalsContact OD2-NH1 3.14Å
106M55.7Low65.1Low154 Ų154103.1 Ų103.176%0.75961%0.612SS**  trans-112.7114.5-175.8-78.9-65.6-167.400111.3P104P104-M106 HydrophobicContact CB-CB 4.5Å; P104-M106 HydrophobicContact CB-CG 4.23Å; P104-M106 PolarHBondContact O-N 2.76Å
107S48Very low64.5Low124 Ų124100.4 Ų100.487%0.86761%0.61SS**SBendtrans75.5131.7175.477.60000116.3
108G49.6Very low64.2Low71 Ų71102.5 Ų102.573%0.73263%0.626SS**  trans-78.6122.1-17200000112.9K110G108-K110 PolarHBondContact O-N 2.83Å
109D41.4Very low63.9Low133 Ų133104.9 Ų104.971%0.71164%0.641SS**  trans-66.2121.9161.6-166.9-23.6000109S111D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 3.45Å; D109-S111 PolarHBondContact OD1-OG 3.04Å
110K49.9Very low63.7Low219 Ų219101.4 Ų101.495%0.95263%0.63SS**THydrogen-bonded Turntrans-78.721.3-169.4-67.3-177.5176.8176.90113.7G108G108-K110 PolarHBondContact O-N 2.83Å
111S50Low63.8Low94 Ų9499.8 Ų99.866%0.65762%0.617SS**THydrogen-bonded Turntrans-116.4-14-167.1590000115.4D109D109-S111 VanDerWaalsContact CG-OG 3.23Å; D109-S111 PolarHBondContact O-N 3.45Å; D109-S111 PolarHBondContact OD1-OG 3.04Å
112S47.8Very low63.9Low84 Ų84102.2 Ų102.259%0.58763%0.627SS**  trans-141.4106.4178.6-173.70000112.5V114S112-V114 PolarHBondContact O-N 3.5Å
113G49.3Very low64.7Low88 Ų88102.9 Ų102.991%0.90763%0.626SS**SBendtrans-73.611.6-170.200000117.1
114V54.8Low65.3Low125 Ų125108 Ų10876%0.75864%0.636SS**  trans-141.695.8176.1-1740000109.8S112 A116S112-V114 PolarHBondContact O-N 3.5Å; V114-A116 PolarHBondContact O-N 3.05Å
115C58.8Low66.5Low119 Ų119104.1 Ų104.180%0.80461%0.61SS**PPolyproline II helixtrans-64.7131.5164.6-62.10000109.1
116A65.4Low68Low56 Ų56101.6 Ų101.646%0.46359%0.593SS.*PPolyproline II helixtrans-60.8142.9170.100000109.7V114V114-A116 PolarHBondContact O-N 3.05Å
117A74.9Confident69.6Low60 Ų6096.2 Ų96.250%0.49657%0.574SS.*PPolyproline II helixtrans-52.5143.9177.100000110.9D119 A120 R121A117-D119 PolarHBondContact O-N 3.07Å; A117-D119 VanDerWaalsContact O-N 3.1Å; A117-A120 HydrophobicContact CB-CB 4.45Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 WeakPolarHBondContact O-CB 3.45Å; A117-A120 PolarHBondContact O-N 3.24Å; A117-R121 PolarHBondContact O-N 3.25Å; A117-R121 VanDerWaalsContact O-N 3.14Å
118P80.8Confident71.7Confident79 Ų7990.3 Ų90.351%0.51353%0.532SS..Hα-helixtrans-56.7-34.4-174.521.3-33.2000112.4R121 R122P118-R121 PolarHBondContact O-N 3.38Å; P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 3.17Å
119D82.4Confident73.7Confident86 Ų8693 Ų9346%0.4652%0.52SS..Hα-helixtrans-71.3-31.6176.9-56.6-44.1000113A117 R122 Q123A117-D119 PolarHBondContact O-N 3.07Å; A117-D119 VanDerWaalsContact O-N 3.1Å; D119-R122 PolarHBondContact O-N 3.28Å; D119-R122 IonicContact OD1-CZ 3.14Å; D119-R122 IonicContact OD1-NH1 2.62Å; D119-R122 PolarHBondContact OD1-NH1 3.03Å; D119-Q123 WeakPolarHBondContact O-CB 3.38Å; D119-Q123 VanDerWaalsContact O-CG 3.24Å; D119-Q123 WeakPolarHBondContact O-CG 3.25Å; D119-Q123 PolarHBondContact O-N 2.82Å
120A83.3Confident76.1Confident32 Ų3290.3 Ų90.326%0.26451%0.506SS..Hα-helixtrans-69.3-34.6172.500000111.9A117 R124A117-A120 HydrophobicContact CB-CB 4.45Å; A117-A120 WeakPolarHBondContact O-CA 3.49Å; A117-A120 WeakPolarHBondContact O-CB 3.45Å; A117-A120 PolarHBondContact O-N 3.24Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.06Å; A120-R124 VanDerWaalsContact O-N 3.12Å
121R85Confident78.1Confident55 Ų5583.5 Ų83.521%0.20848%0.476CS..Hα-helixtrans-66-44.7170.8-177.3-179.3175.8-168.84.3111.1N100 A103 D105 A117 P118 R124 L125N100-R121 PolarHBondContact O-NH2 2.93Å; A103-R121 PolarHBondContact O-NH2 2.94Å; D105-R121 IonicContact OD1-CZ 2.67Å; D105-R121 IonicContact OD1-NH1 3.77Å; D105-R121 PolarHBondContact OD1-NH1 2.69Å; D105-R121 IonicContact OD2-NH1 3.7Å; D105-R121 PolarHBondContact OD2-NH1 2.91Å; D105-R121 VanDerWaalsContact OD2-NH1 3.14Å; A117-R121 PolarHBondContact O-N 3.25Å; A117-R121 VanDerWaalsContact O-N 3.14Å; P118-R121 PolarHBondContact O-N 3.38Å; R121-R124 PolarHBondContact O-N 3.15Å; R121-L125 HydrophobicContact CG-CD1 4.34Å; R121-L125 PolarHBondContact O-N 2.97Å
122R88.1Confident80Confident162 Ų16281.5 Ų81.561%0.61146%0.458SS*.Hα-helixtrans-60-45.5176.4-71.6166.4177.1168.3-6.4112.2P118 D119 R124 L125 Q126P118-R122 WeakPolarHBondContact O-CG 3.49Å; P118-R122 PolarHBondContact O-N 3.17Å; D119-R122 PolarHBondContact O-N 3.28Å; D119-R122 IonicContact OD1-CZ 3.14Å; D119-R122 IonicContact OD1-NH1 2.62Å; D119-R122 PolarHBondContact OD1-NH1 3.03Å; R122-R124 PolarHBondContact O-N 2.95Å; R122-L125 PolarHBondContact O-N 2.94Å; R122-Q126 PolarHBondContact O-N 3.5Å
123Q90.4Very high82.1Confident138 Ų13884 Ų8465%0.64546%0.46SS*.Hα-helixtrans-60.8-42.1176-74.3169.15.900112.2D119 Q126 A127D119-Q123 WeakPolarHBondContact O-CB 3.38Å; D119-Q123 VanDerWaalsContact O-CG 3.24Å; D119-Q123 WeakPolarHBondContact O-CG 3.25Å; D119-Q123 PolarHBondContact O-N 2.82Å; Q123-Q126 PolarHBondContact O-N 3.27Å; Q123-A127 PolarHBondContact O-N 3.38Å
124R89.3Confident83.9Confident149 Ų14982 Ų8256%0.56244%0.435SS*.Hα-helixtrans-64.3-43.6174.8-72.4174.6-176.4-171.80.9112.2L97 A120 R121 R122 Q126 A127 I128L97-R124 HydrophobicContact CD1-CB 4.19Å; L97-R124 HydrophobicContact CD2-CB 4.11Å; A120-R124 VanDerWaalsContact O-CG 3.32Å; A120-R124 WeakPolarHBondContact O-CG 3.42Å; A120-R124 PolarHBondContact O-N 3.06Å; A120-R124 VanDerWaalsContact O-N 3.12Å; R121-R124 PolarHBondContact O-N 3.15Å; R122-R124 PolarHBondContact O-N 2.95Å; R124-Q126 VanDerWaalsContact C-N 3.3Å; R124-Q126 PolarHBondContact O-N 3.16Å; R124-A127 PolarHBondContact O-N 3Å; R124-I128 VanDerWaalsContact O-CG1 3.29Å; R124-I128 WeakPolarHBondContact O-CG1 3.19Å; R124-I128 PolarHBondContact O-N 3.25Å; R124-I128 VanDerWaalsContact O-N 3.1Å
125L90.2Very high85.4Confident22 Ų2279.3 Ų79.312%0.11541%0.411CS..Hα-helixtrans-61.5-38.4174.2-76.7171.5000112.2L97 W98 R101 R121 R122 I128 R129L97-L125 HydrophobicContact CD2-CD2 3.59Å; L97-L125 HydrophobicContact CD2-CG 3.79Å; W98-L125 HydrophobicContact CE3-CD2 3.97Å; W98-L125 HydrophobicContact CZ3-CD2 4.45Å; R101-L125 HydrophobicContact CB-CD1 4.29Å; R101-L125 HydrophobicContact CB-CD2 3.65Å; R121-L125 HydrophobicContact CG-CD1 4.34Å; R121-L125 PolarHBondContact O-N 2.97Å; R122-L125 PolarHBondContact O-N 2.94Å; L125-I128 PolarHBondContact O-N 3.31Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 2.91Å; L125-R129 VanDerWaalsContact O-N 3.08Å
126Q92.1Very high86.6Confident83 Ų8376.4 Ų76.439%0.38840%0.396SS..Hα-helixtrans-66.4-47.5176.2-169.658.739.700111.2R122 Q123 R124 I128 R129 D130R122-Q126 PolarHBondContact O-N 3.5Å; Q123-Q126 PolarHBondContact O-N 3.27Å; R124-Q126 VanDerWaalsContact C-N 3.3Å; R124-Q126 PolarHBondContact O-N 3.16Å; Q126-I128 PolarHBondContact O-N 3.18Å; Q126-I128 VanDerWaalsContact O-N 3.13Å; Q126-R129 CarbonylContact O-C 3.58Å; Q126-R129 WeakPolarHBondContact O-CA 3.34Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.28Å; Q126-D130 PolarHBondContact NE2-OD1 3.38Å; Q126-D130 PolarHBondContact O-N 3Å
127A90.8Very high87.7Confident42 Ų4278.4 Ų78.435%0.34740%0.396SS..Hα-helixtrans-58-30.4175.900000113.4Q123 R124 K131Q123-A127 PolarHBondContact O-N 3.38Å; R124-A127 PolarHBondContact O-N 3Å; A127-K131 WeakPolarHBondContact O-CG 3.33Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.14Å
128I90.7Very high88Confident0 Ų080.8 Ų80.80%040%0.399CS..Hα-helixtrans-72-40.1172.9-64.1163.3000111.2L90 E94 L97 W98 R124 L125 Q126 K131 I132L90-I128 HydrophobicContact CD1-CG2 3.95Å; L90-I128 HydrophobicContact CD2-CB 4.48Å; L90-I128 HydrophobicContact CD2-CG1 4.06Å; L90-I128 HydrophobicContact CD2-CG2 4.12Å; E94-I128 HydrophobicContact CB-CD1 3.9Å; E94-I128 HydrophobicContact CB-CG1 4.23Å; E94-I128 HydrophobicContact CG-CD1 4.32Å; E94-I128 HydrophobicContact CG-CG1 4.45Å; E94-I128 WeakPolarHBondContact O-CD1 3.4Å; L97-I128 HydrophobicContact CD2-CD1 3.62Å; W98-I128 HydrophobicContact CB-CD1 4.38Å; W98-I128 HydrophobicContact CB-CG2 4.3Å; W98-I128 HydrophobicContact CD2-CG2 3.68Å; W98-I128 HydrophobicContact CE3-CB 4Å; W98-I128 HydrophobicContact CE3-CG2 3.41Å; W98-I128 VanDerWaalsContact CE3-CG2 3.41Å; W98-I128 HydrophobicContact CG-CG2 4.09Å; W98-I128 HydrophobicContact CZ3-CB 4.36Å; W98-I128 HydrophobicContact CZ3-CG2 3.95Å; R124-I128 VanDerWaalsContact O-CG1 3.29Å; R124-I128 WeakPolarHBondContact O-CG1 3.19Å; R124-I128 PolarHBondContact O-N 3.25Å; R124-I128 VanDerWaalsContact O-N 3.1Å; L125-I128 PolarHBondContact O-N 3.31Å; Q126-I128 PolarHBondContact O-N 3.18Å; Q126-I128 VanDerWaalsContact O-N 3.13Å; I128-K131 PolarHBondContact O-N 3.37Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 WeakPolarHBondContact O-CD1 3.2Å; I128-I132 VanDerWaalsContact O-CG1 3.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.07Å
129R92.2Very high87.9Confident127 Ų12783 Ų8348%0.47941%0.406SS..Hα-helixtrans-60.3-48172.2-69.4170.3178.3178.7-4.5111.3W98 L125 Q126 K131 I132 E133W98-R129 HydrophobicContact CH2-CG 3.72Å; W98-R129 HydrophobicContact CZ3-CG 3.71Å; L125-R129 WeakPolarHBondContact O-CG 3.47Å; L125-R129 PolarHBondContact O-N 2.91Å; L125-R129 VanDerWaalsContact O-N 3.08Å; Q126-R129 CarbonylContact O-C 3.58Å; Q126-R129 WeakPolarHBondContact O-CA 3.34Å; Q126-R129 WeakPolarHBondContact O-CB 3.46Å; Q126-R129 PolarHBondContact O-N 3.28Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 3.33Å; R129-I132 WeakPolarHBondContact O-CA 3.35Å; R129-I132 WeakPolarHBondContact O-CB 3.21Å; R129-I132 PolarHBondContact O-N 3.21Å; R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 2.93Å
130D92.9Very high87.7Confident77 Ų7783.3 Ų83.341%0.41242%0.415SS..Hα-helixtrans-59.9-38.8-179.6-51.8-21.8000110.9Q126 A134Q126-D130 PolarHBondContact NE2-OD1 3.38Å; Q126-D130 PolarHBondContact O-N 3Å; D130-A134 VanDerWaalsContact O-CB 3.23Å; D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 3.09Å
131K91.2Very high87.5Confident75 Ų7588.4 Ų88.433%0.32643%0.428SS..Hα-helixtrans-63.5-43.9171.9-76.6174.4176.6-176.40112.7L88 L90 E94 A127 I128 R129 R135L88-K131 WeakPolarHBondContact CD2-O 3.41Å; L90-K131 HydrophobicContact CD2-CD 3.41Å; L90-K131 VanDerWaalsContact CD2-CD 3.41Å; E94-K131 IonicContact OE1-NZ 2.69Å; E94-K131 PolarHBondContact OE1-NZ 2.96Å; E94-K131 IonicContact OE2-NZ 2.66Å; E94-K131 PolarHBondContact OE2-NZ 3.47Å; A127-K131 WeakPolarHBondContact O-CG 3.33Å; A127-K131 PolarHBondContact O-N 2.98Å; A127-K131 VanDerWaalsContact O-N 3.14Å; I128-K131 PolarHBondContact O-N 3.37Å; R129-K131 VanDerWaalsContact C-N 3.27Å; R129-K131 PolarHBondContact O-N 3.33Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å
132I89Confident87Confident52 Ų5291 Ų9127%0.26745%0.451SS..Hα-helixtrans-63.3-48178-69.2162000110.4L85 L88 W98 I128 R129 R135 A136L85-I132 HydrophobicContact CD2-CD1 4.48Å; L88-I132 HydrophobicContact CD1-CG1 3.67Å; L88-I132 HydrophobicContact CD2-CG1 4.35Å; W98-I132 HydrophobicContact CD2-CD1 4.35Å; W98-I132 HydrophobicContact CH2-CD1 3.77Å; W98-I132 HydrophobicContact CZ2-CD1 3.38Å; W98-I132 HydrophobicContact CZ3-CD1 4.39Å; I128-I132 HydrophobicContact CG2-CD1 3.95Å; I128-I132 WeakPolarHBondContact O-CD1 3.2Å; I128-I132 VanDerWaalsContact O-CG1 3.29Å; I128-I132 WeakPolarHBondContact O-CG1 3.39Å; I128-I132 PolarHBondContact O-N 3.07Å; R129-I132 WeakPolarHBondContact O-CA 3.35Å; R129-I132 WeakPolarHBondContact O-CB 3.21Å; R129-I132 PolarHBondContact O-N 3.21Å; I132-R135 PolarHBondContact O-N 3.16Å; I132-A136 WeakPolarHBondContact O-CB 3.38Å; I132-A136 PolarHBondContact O-N 2.8Å
133E91.8Very high85.9Confident136 Ų13692.8 Ų92.864%0.63647%0.467SS*.Hα-helixtrans-63-46.6179.4-173.7168.1-166.600111.4R129 R135 A136 E137R129-E133 WeakPolarHBondContact O-CB 3.38Å; R129-E133 PolarHBondContact O-N 2.93Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.25Å; E133-A136 WeakPolarHBondContact O-CB 3.15Å; E133-A136 PolarHBondContact O-N 2.9Å; E133-A136 VanDerWaalsContact O-N 3.13Å; E133-E137 WeakPolarHBondContact O-CB 3.27Å; E133-E137 PolarHBondContact O-N 2.99Å
134A88.5Confident84.8Confident46 Ų4691.9 Ų91.938%0.3846%0.457SS..Hα-helixtrans-60.7-36.9176.400000113.1D130 L138D130-A134 VanDerWaalsContact O-CB 3.23Å; D130-A134 WeakPolarHBondContact O-CB 3.48Å; D130-A134 PolarHBondContact O-N 3.09Å; A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.27Å; A134-L138 WeakPolarHBondContact O-CG 3.38Å; A134-L138 PolarHBondContact O-N 2.88Å
135R85.1Confident83.6Confident70 Ų7090.4 Ų90.426%0.26446%0.455SS..Hα-helixtrans-71.2-39.9173.6-171.5-176.8178.4-158.2-1.2111.7A84 E87 L88 K131 I132 E133 E137 L138 L139A84-R135 PolarHBondContact O-NH1 3.01Å; E87-R135 VanDerWaalsContact CB-NH1 3.29Å; E87-R135 IonicContact OE2-CZ 2.82Å; E87-R135 IonicContact OE2-NH1 3.72Å; E87-R135 PolarHBondContact OE2-NH1 3.15Å; E87-R135 VanDerWaalsContact OE2-NH1 3.13Å; E87-R135 IonicContact OE2-NH2 3.04Å; E87-R135 PolarHBondContact OE2-NH2 2.89Å; L88-R135 HydrophobicContact CD2-CB 3.39Å; L88-R135 HydrophobicContact CD2-CG 3.96Å; K131-R135 PolarHBondContact O-N 3.4Å; K131-R135 VanDerWaalsContact O-N 3.13Å; I132-R135 PolarHBondContact O-N 3.16Å; E133-R135 VanDerWaalsContact C-N 3.32Å; E133-R135 PolarHBondContact O-N 3.25Å; R135-E137 VanDerWaalsContact C-N 3.31Å; R135-L138 PolarHBondContact O-N 3.49Å; R135-L139 HydrophobicContact CG-CD1 4.05Å; R135-L139 HydrophobicContact CG-CG 4.36Å; R135-L139 WeakPolarHBondContact O-CB 3.42Å; R135-L139 VanDerWaalsContact O-CG 3.32Å; R135-L139 WeakPolarHBondContact O-CG 3.42Å; R135-L139 PolarHBondContact O-N 3.5Å
136A85.4Confident82.4Confident57 Ų5795.9 Ų95.947%0.47150%0.495SS..Hα-helixtrans-61.7-42175.400000111I132 E133 L139 S140I132-A136 WeakPolarHBondContact O-CB 3.38Å; I132-A136 PolarHBondContact O-N 2.8Å; E133-A136 WeakPolarHBondContact O-CB 3.15Å; E133-A136 PolarHBondContact O-N 2.9Å; E133-A136 VanDerWaalsContact O-N 3.13Å; A136-L139 PolarHBondContact O-N 2.8Å; A136-S140 WeakPolarHBondContact O-CB 3.36Å; A136-S140 PolarHBondContact O-N 2.84Å
137E88.3Confident81.3Confident99 Ų9995.9 Ų95.946%0.46351%0.51SS..Hα-helixtrans-59.6-50.4172.7-161-148.2131.100110.9E133 R135 L139 S140 R141E133-E137 WeakPolarHBondContact O-CB 3.27Å; E133-E137 PolarHBondContact O-N 2.99Å; R135-E137 VanDerWaalsContact C-N 3.31Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.32Å; E137-S140 PolarHBondContact O-N 3.21Å; E137-S140 VanDerWaalsContact O-N 3.1Å; E137-S140 PolarHBondContact O-OG 3.19Å; E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 2.73Å; E137-R141 IonicContact OE1-NE 2.76Å; E137-R141 PolarHBondContact OE1-NE 3.48Å; E137-R141 IonicContact OE1-NH2 3.51Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å
138L81.8Confident80.4Confident109 Ų10995 Ų9557%0.57150%0.501SS*.Hα-helixtrans-59.7-35.4177.1-74.7171.7000113.9A134 R135A134-L138 WeakPolarHBondContact O-CB 3.46Å; A134-L138 VanDerWaalsContact O-CG 3.27Å; A134-L138 WeakPolarHBondContact O-CG 3.38Å; A134-L138 PolarHBondContact O-N 2.88Å; R135-L138 PolarHBondContact O-N 3.49Å
139L77.1Confident79.6Confident126 Ų126101.7 Ų101.766%0.6653%0.526SS*.Hα-helixtrans-78.1-25176.1-71172.7000113R135 A136 E137 R141R135-L139 HydrophobicContact CG-CD1 4.05Å; R135-L139 HydrophobicContact CG-CG 4.36Å; R135-L139 WeakPolarHBondContact O-CB 3.42Å; R135-L139 VanDerWaalsContact O-CG 3.32Å; R135-L139 WeakPolarHBondContact O-CG 3.42Å; R135-L139 PolarHBondContact O-N 3.5Å; A136-L139 PolarHBondContact O-N 2.8Å; E137-L139 VanDerWaalsContact C-N 3.3Å; E137-L139 PolarHBondContact O-N 3.32Å; L139-R141 VanDerWaalsContact C-N 3.32Å
140S78.5Confident79.1Confident93 Ų9398 Ų9865%0.6552%0.519SS*.Hα-helixtrans-76-20.5175.174.40000113.3A136 E137A136-S140 WeakPolarHBondContact O-CB 3.36Å; A136-S140 PolarHBondContact O-N 2.84Å; E137-S140 PolarHBondContact O-N 3.21Å; E137-S140 VanDerWaalsContact O-N 3.1Å; E137-S140 PolarHBondContact O-OG 3.19Å
141R80.1Confident78.6Confident139 Ų13995.2 Ų95.253%0.52550%0.504SS..SBendtrans-66.9141.7175.2-68.3171.7-175.6-155.91.5110.1E137 L139 Q143E137-R141 WeakPolarHBondContact O-CG 3.38Å; E137-R141 PolarHBondContact O-N 3.41Å; E137-R141 IonicContact OE1-CZ 2.73Å; E137-R141 IonicContact OE1-NE 2.76Å; E137-R141 PolarHBondContact OE1-NE 3.48Å; E137-R141 IonicContact OE1-NH2 3.51Å; E137-R141 PolarHBondContact OE1-NH2 3.15Å; L139-R141 VanDerWaalsContact C-N 3.32Å; R141-Q143 PolarHBondContact O-N 3.06Å
142P73.3Confident78.3Confident108 Ų10894.7 Ų94.770%0.70151%0.509SS*.  trans-51.9124.1178.9-27.834.7000112.2R144P142-R144 PolarHBondContact O-N 2.87Å
143Q64.7Low78Confident201 Ų201101 Ų10194%0.93953%0.53SS*.  trans-74.789.2-174.8-168.4173.69.800110.8R141R141-Q143 PolarHBondContact O-N 3.06Å
144R68.4Low77.6Confident119 Ų119101.7 Ų101.745%0.44953%0.527SS..  trans-71.7140.6-179.9-67.2178-177.9-175.11.1111.2P142 H177 D179P142-R144 PolarHBondContact O-N 2.87Å; R144-H177 PolarHBondContact NH1-CD2 2.94Å; R144-H177 PolarHBondContact NH1-NE2 2.87Å; R144-H177 VanDerWaalsContact NH1-NE2 3.11Å; R144-D179 IonicContact NH1-OD1 2.95Å; R144-D179 PolarHBondContact NH1-OD1 3.44Å
145F64.7Low77.5Confident118 Ų118100.8 Ų100.852%0.51852%0.515SS..  trans-58.1139.6166.2-76.7-78.5000110A147 S148 M195F145-A147 PolarHBondContact O-N 2.94Å; F145-A147 VanDerWaalsContact O-N 3.09Å; F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.4Å; F145-S148 PolarHBondContact O-OG 3.29Å; F145-M195 HydrophobicContact CE2-SD 4.12Å; F145-M195 HydrophobicContact CZ-SD 4.22Å
146S64.4Low77.4Confident136 Ų13699.6 Ų99.695%0.95151%0.513SS*.THydrogen-bonded Turntrans-64.5-15.8-176.556.60000114.7
147A67.5Low77.3Confident84 Ų84101.3 Ų101.369%0.69451%0.511SS*.THydrogen-bonded Turntrans-97.9-2.2173.500000113.6F145F145-A147 PolarHBondContact O-N 2.94Å; F145-A147 VanDerWaalsContact O-N 3.09Å
148S72.8Confident77.1Confident23 Ų2397.4 Ų97.416%0.16149%0.493CS..  trans-70.3140.9-178.8680000111.7F145 L175 H177F145-S148 VanDerWaalsContact O-CB 3.31Å; F145-S148 WeakPolarHBondContact O-CB 3.41Å; F145-S148 PolarHBondContact O-N 3.4Å; F145-S148 PolarHBondContact O-OG 3.29Å; S148-L175 WeakPolarHBondContact CA-O 3.25Å; S148-L175 WeakPolarHBondContact CB-O 3.46Å; S148-H177 PolarHBondContact O-CE1 3.29Å; S148-H177 PolarHBondContact OG-ND1 3.18Å
149R74.6Confident77.1Confident141 Ų14192.8 Ų92.853%0.53247%0.468SS..EExtended strand (participates in β ladder)trans-119.1142.7-173.1-173.4-178.8168.5137.7-6.6110.8Y176 H177R149-Y176 WeakPolarHBondContact O-CA 3.36Å; R149-H177 PolarHBondContact O-N 3.18Å; R149-H177 VanDerWaalsContact O-N 3.09Å
150P81.8Confident77.2Confident50 Ų5091.7 Ų91.733%0.32546%0.46SS..EExtended strand (participates in β ladder)trans-70.4138.1172.828.2-33.6000111.1H177 D179P150-H177 VanDerWaalsContact CA-CD2 3.43Å; P150-H177 WeakPolarHBondContact CA-CD2 3.02Å; P150-H177 WeakPolarHBondContact CA-O 3.24Å; P150-H177 VanDerWaalsContact CD-NE2 3.34Å; P150-H177 WeakPolarHBondContact CD-NE2 3.34Å; P150-D179 HydrophobicContact CB-CB 4.33Å; P150-D179 WeakPolarHBondContact CB-OD2 3.41Å
151L81.1Confident77.4Confident18 Ų1890.4 Ų90.49%0.09446%0.455CS..PPolyproline II helixtrans-72125.1173.3-61.7-176.8000110.9E21 E155 M156 E159 Y176 H177E21-L151 HydrophobicContact CB-CD2 3.56Å; E21-L151 HydrophobicContact CG-CD2 3.45Å; E21-L151 VanDerWaalsContact CG-CD2 3.45Å; L151-E155 HydrophobicContact CB-CB 4.49Å; L151-E155 HydrophobicContact CD2-CB 4.42Å; L151-M156 HydrophobicContact CB-CG 3.56Å; L151-M156 HydrophobicContact CD1-CG 3.86Å; L151-M156 HydrophobicContact CG-CG 4.4Å; L151-E159 HydrophobicContact CD1-CG 4.23Å; L151-E159 HydrophobicContact CD2-CG 4.47Å; L151-Y176 HydrophobicContact CD1-CD2 3.65Å; L151-Y176 HydrophobicContact CD1-CE2 3.65Å; L151-Y176 HydrophobicContact CD1-CG 4.3Å; L151-Y176 HydrophobicContact CD2-CD1 4.11Å; L151-Y176 HydrophobicContact CD2-CD2 3.92Å; L151-Y176 HydrophobicContact CD2-CE2 4.45Å; L151-Y176 HydrophobicContact CD2-CG 3.71Å; L151-Y176 HydrophobicContact CG-CD2 3.8Å; L151-Y176 HydrophobicContact CG-CE2 4.31Å; L151-Y176 HydrophobicContact CG-CG 4.08Å; L151-H177 PolarHBondContact N-O 2.99Å
152S84.7Confident77.2Confident64 Ų6487.8 Ų87.845%0.44845%0.451SS..PPolyproline II helixtrans-63.8157.9162.7-179.80000110.9R154 E155 M156S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.95Å; S152-E155 VanDerWaalsContact CB-CD 3.41Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 3.41Å; S152-E155 CarbonylContact O-C 3.53Å; S152-E155 WeakPolarHBondContact O-CA 3.28Å; S152-E155 WeakPolarHBondContact O-CB 3.32Å; S152-E155 PolarHBondContact O-N 2.65Å; S152-M156 PolarHBondContact O-N 2.78Å
153R83.4Confident77.1Confident183 Ų18385.3 Ų85.369%0.69143%0.429SS*.Hα-helixtrans-53.9-45.5177.4178.4178.1169.2167.42.1113E155 M156 E157R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.69Å; R153-M156 HydrophobicContact CB-CE 4.27Å; R153-M156 PolarHBondContact O-N 3.41Å; R153-E157 WeakPolarHBondContact CG-OE1 3.44Å; R153-E157 IonicContact CZ-OE1 3.31Å; R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 PolarHBondContact NE-OE1 2.92Å; R153-E157 IonicContact NH2-OE1 3.12Å; R153-E157 PolarHBondContact NH2-OE1 2.79Å; R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 3.13Å
154R84.4Confident77.1Confident152 Ų15283.1 Ų83.157%0.57442%0.419SS*.Hα-helixtrans-59.2-42.7175.2176.4179.1176.5-96.23.6110.8S152 E157 I158S152-R154 VanDerWaalsContact C-N 3.31Å; S152-R154 PolarHBondContact O-N 2.95Å; R154-E157 PolarHBondContact O-N 3.41Å; R154-I158 HydrophobicContact CG-CD1 3.87Å; R154-I158 HydrophobicContact CG-CG1 4.48Å; R154-I158 WeakPolarHBondContact O-CG1 3.1Å; R154-I158 PolarHBondContact O-N 2.88Å
155E85.3Confident76.7Confident27 Ų2781.7 Ų81.713%0.12644%0.441CS..Hα-helixtrans-67.4-40.2-176.9-60.4167.1-175.200110.8E21 L151 S152 R153 E157 I158 E159E21-E155 VanDerWaalsContact CD-CD 3.48Å; E21-E155 HydrophobicContact CG-CB 3.67Å; E21-E155 HydrophobicContact CG-CG 3.99Å; E21-E155 WeakPolarHBondContact OE1-CG 3.14Å; L151-E155 HydrophobicContact CB-CB 4.49Å; L151-E155 HydrophobicContact CD2-CB 4.42Å; S152-E155 VanDerWaalsContact CB-CD 3.41Å; S152-E155 WeakPolarHBondContact CB-OE2 3.37Å; S152-E155 PolarHBondContact N-OE2 3.41Å; S152-E155 CarbonylContact O-C 3.53Å; S152-E155 WeakPolarHBondContact O-CA 3.28Å; S152-E155 WeakPolarHBondContact O-CB 3.32Å; S152-E155 PolarHBondContact O-N 2.65Å; R153-E155 VanDerWaalsContact C-N 3.27Å; R153-E155 PolarHBondContact O-N 2.69Å; E155-E157 PolarHBondContact O-N 2.98Å; E155-I158 PolarHBondContact O-N 2.75Å; E155-E159 WeakPolarHBondContact O-CG 3.36Å; E155-E159 PolarHBondContact O-N 2.72Å
156M82.5Confident76.6Confident45 Ų4580 Ų8022%0.22244%0.441CS..Hα-helixtrans-59-43.8169.7-66.1-166.7-71.600113.1L151 S152 R153 I158 Q160 R178L151-M156 HydrophobicContact CB-CG 3.56Å; L151-M156 HydrophobicContact CD1-CG 3.86Å; L151-M156 HydrophobicContact CG-CG 4.4Å; S152-M156 PolarHBondContact O-N 2.78Å; R153-M156 HydrophobicContact CB-CE 4.27Å; R153-M156 PolarHBondContact O-N 3.41Å; M156-I158 PolarHBondContact O-N 2.92Å; M156-Q160 WeakPolarHBondContact O-CB 2.89Å; M156-Q160 VanDerWaalsContact O-CG 3.28Å; M156-Q160 WeakPolarHBondContact O-CG 3.42Å; M156-Q160 PolarHBondContact O-N 3.19Å; M156-R178 HydrophobicContact SD-CG 3.61Å; M156-R178 PolarHBondContact SD-NE 3.48Å
157E84.2Confident76.3Confident93 Ų9381.9 Ų81.944%0.43544%0.44SS..Hα-helixtrans-65-30.3178.2-71.3167.3-173.300111.2R153 R154 E155 A161R153-E157 WeakPolarHBondContact CG-OE1 3.44Å; R153-E157 IonicContact CZ-OE1 3.31Å; R153-E157 IonicContact NE-OE1 2.69Å; R153-E157 PolarHBondContact NE-OE1 2.92Å; R153-E157 IonicContact NH2-OE1 3.12Å; R153-E157 PolarHBondContact NH2-OE1 2.79Å; R153-E157 WeakPolarHBondContact O-CG 3.47Å; R153-E157 PolarHBondContact O-N 3.13Å; R154-E157 PolarHBondContact O-N 3.41Å; E155-E157 PolarHBondContact O-N 2.98Å; E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.98Å
158I83.6Confident75.7Confident17 Ų1788.8 Ų88.89%0.08745%0.448CS..Hα-helixtrans-76.1-50176.5-65.7173000112Q18 R154 E155 M156 Q160 A161 L162Q18-I158 HydrophobicContact CG-CD1 4.39Å; Q18-I158 HydrophobicContact CG-CG2 4.07Å; Q18-I158 VanDerWaalsContact NE2-CD1 3.33Å; Q18-I158 VanDerWaalsContact NE2-CG1 3.26Å; R154-I158 HydrophobicContact CG-CD1 3.87Å; R154-I158 HydrophobicContact CG-CG1 4.48Å; R154-I158 WeakPolarHBondContact O-CG1 3.1Å; R154-I158 PolarHBondContact O-N 2.88Å; E155-I158 PolarHBondContact O-N 2.75Å; M156-I158 PolarHBondContact O-N 2.92Å; I158-Q160 PolarHBondContact O-N 3.22Å; I158-A161 PolarHBondContact O-N 2.78Å; I158-L162 HydrophobicContact CG2-CD1 3.57Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CG 3.13Å; I158-L162 PolarHBondContact O-N 2.76Å
159E82.4Confident75Confident12 Ų1288.7 Ų88.76%0.05645%0.445CS..Hα-helixtrans-53.1-45.8173-69.1-78.6165.900110.4T20 E21 G22 L151 E155 F163 Y176T20-E159 WeakPolarHBondContact CB-OE1 3.25Å; T20-E159 HydrophobicContact CG2-CG 4.41Å; E21-E159 WeakPolarHBondContact CA-OE1 3.14Å; E21-E159 WeakPolarHBondContact CB-OE1 3.29Å; E21-E159 PolarHBondContact N-OE1 3.41Å; G22-E159 PolarHBondContact N-OE1 3.01Å; L151-E159 HydrophobicContact CD1-CG 4.23Å; L151-E159 HydrophobicContact CD2-CG 4.47Å; E155-E159 WeakPolarHBondContact O-CG 3.36Å; E155-E159 PolarHBondContact O-N 2.72Å; E159-F163 PolarHBondContact O-N 3.2Å; E159-Y176 VanDerWaalsContact CD-OH 3.25Å; E159-Y176 HydrophobicContact CG-CE1 4.34Å; E159-Y176 VanDerWaalsContact OE1-CE1 3.24Å; E159-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y176 WeakPolarHBondContact OE2-CE1 3.24Å; E159-Y176 PolarHBondContact OE2-OH 2.79Å
160Q79.4Confident74.5Confident102 Ų10284.2 Ų84.248%0.47744%0.444SS..Hα-helixtrans-62.9-53.4175-75.3179.6-2600111.7M156 I158 L162 F163 Q164M156-Q160 WeakPolarHBondContact O-CB 2.89Å; M156-Q160 VanDerWaalsContact O-CG 3.28Å; M156-Q160 WeakPolarHBondContact O-CG 3.42Å; M156-Q160 PolarHBondContact O-N 3.19Å; I158-Q160 PolarHBondContact O-N 3.22Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.39Å; Q160-F163 PolarHBondContact O-N 3.33Å; Q160-Q164 WeakPolarHBondContact O-CG 3.27Å; Q160-Q164 PolarHBondContact O-N 3.34Å
161A82Confident73.9Confident66 Ų6686.6 Ų86.655%0.54545%0.449SS..Hα-helixtrans-61-36.6-175.100000113.9E157 I158E157-A161 WeakPolarHBondContact O-CB 3.17Å; E157-A161 PolarHBondContact O-N 2.98Å; I158-A161 PolarHBondContact O-N 2.78Å
162L76.5Confident73.7Confident84 Ų8486.7 Ų86.744%0.4445%0.449SS..Hα-helixtrans-81.6-22.2-176.2-66.9171.3000113.7Q18 T20 I158 Q160Q18-L162 WeakPolarHBondContact O-CD1 3.48Å; T20-L162 HydrophobicContact CG2-CB 4.46Å; T20-L162 HydrophobicContact CG2-CD1 3.83Å; I158-L162 HydrophobicContact CG2-CD1 3.57Å; I158-L162 HydrophobicContact CG2-CG 4.34Å; I158-L162 WeakPolarHBondContact O-CB 3.47Å; I158-L162 WeakPolarHBondContact O-CG 3.13Å; I158-L162 PolarHBondContact O-N 2.76Å; Q160-L162 VanDerWaalsContact C-N 3.32Å; Q160-L162 PolarHBondContact O-N 3.39Å
163F70Confident73.2Confident57 Ų5786.7 Ų86.725%0.2545%0.447CS..Hα-helixtrans-128.623.7-171.2-68.2-88.3000114.9T20 E159 Q160 G165 T166 L169T20-F163 HydrophobicContact CG2-CD2 3.89Å; T20-F163 HydrophobicContact CG2-CE2 3.52Å; E159-F163 PolarHBondContact O-N 3.2Å; Q160-F163 PolarHBondContact O-N 3.33Å; F163-G165 PolarHBondContact O-N 3.06Å; F163-G165 VanDerWaalsContact O-N 3.08Å; F163-T166 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-OG1 2.95Å; F163-L169 HydrophobicContact CB-CD1 3.77Å; F163-L169 HydrophobicContact CD1-CD1 3.5Å; F163-L169 VanDerWaalsContact CD1-CD1 3.5Å; F163-L169 HydrophobicContact CD1-CD2 4.17Å; F163-L169 HydrophobicContact CD1-CG 3.67Å; F163-L169 HydrophobicContact CD2-CD1 3.46Å; F163-L169 VanDerWaalsContact CD2-CD1 3.46Å; F163-L169 HydrophobicContact CD2-CG 4.49Å; F163-L169 HydrophobicContact CE1-CD1 3.89Å; F163-L169 HydrophobicContact CE1-CD2 3.87Å; F163-L169 HydrophobicContact CE1-CG 3.92Å; F163-L169 HydrophobicContact CE2-CD1 3.89Å; F163-L169 HydrophobicContact CG-CD1 3.26Å; F163-L169 HydrophobicContact CG-CG 3.98Å; F163-L169 HydrophobicContact CZ-CD1 4.07Å; F163-L169 HydrophobicContact CZ-CD2 4.16Å; F163-L169 HydrophobicContact CZ-CG 4.44Å
164Q65.7Low72.8Confident155 Ų15578.9 Ų78.972%0.72442%0.421SS*.THydrogen-bonded Turntrans-55.3118.1173.2-54.7-165.40.200110.9Q160 T166Q160-Q164 WeakPolarHBondContact O-CG 3.27Å; Q160-Q164 PolarHBondContact O-N 3.34Å; Q164-T166 PolarHBondContact O-N 2.81Å
165G60.3Low72.6Confident89 Ų8973 Ų7392%0.91840%0.401SS*.THydrogen-bonded Turntrans74.414.4174.800000116.3F163F163-G165 PolarHBondContact O-N 3.06Å; F163-G165 VanDerWaalsContact O-N 3.08Å
166T61.5Low72.3Confident82 Ų8273.2 Ų73.250%0.50340%0.401SS..  trans-115.4116.1172.739.50000112.1F163 Q164 R168F163-T166 PolarHBondContact O-N 2.89Å; F163-T166 PolarHBondContact O-OG1 2.95Å; Q164-T166 PolarHBondContact O-N 2.81Å; T166-R168 PolarHBondContact O-N 3.42Å
167D58Low72Confident176 Ų17672.4 Ų72.494%0.94140%0.397SS*.  trans-76.219.6-171.5-14718.7000114.2
168R55.9Low71.7Confident229 Ų22973 Ų7386%0.86440%0.395SS*.THydrogen-bonded Turntrans-9916.1-161.7-132.1-178.5-167.1-1562115.2T166T166-R168 PolarHBondContact O-N 3.42Å
169L57.2Low70.6Confident20 Ų2077.5 Ų77.511%0.10542%0.419CS..THydrogen-bonded Turntrans-120.82.8-172-72.6-166.4000116.7F163 F171 L172 T173F163-L169 HydrophobicContact CB-CD1 3.77Å; F163-L169 HydrophobicContact CD1-CD1 3.5Å; F163-L169 VanDerWaalsContact CD1-CD1 3.5Å; F163-L169 HydrophobicContact CD1-CD2 4.17Å; F163-L169 HydrophobicContact CD1-CG 3.67Å; F163-L169 HydrophobicContact CD2-CD1 3.46Å; F163-L169 VanDerWaalsContact CD2-CD1 3.46Å; F163-L169 HydrophobicContact CD2-CG 4.49Å; F163-L169 HydrophobicContact CE1-CD1 3.89Å; F163-L169 HydrophobicContact CE1-CD2 3.87Å; F163-L169 HydrophobicContact CE1-CG 3.92Å; F163-L169 HydrophobicContact CE2-CD1 3.89Å; F163-L169 HydrophobicContact CG-CD1 3.26Å; F163-L169 HydrophobicContact CG-CG 3.98Å; F163-L169 HydrophobicContact CZ-CD1 4.07Å; F163-L169 HydrophobicContact CZ-CD2 4.16Å; F163-L169 HydrophobicContact CZ-CG 4.44Å; L169-F171 CarbonylContact O-C 3.58Å; L169-F171 PolarHBondContact O-N 2.83Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L172 HydrophobicContact CD2-CD1 3.78Å; L169-L172 HydrophobicContact CD2-CG 4.17Å; L169-L172 PolarHBondContact O-N 2.94Å; L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 2.93Å
170G63.4Low69.4Low48 Ų4879.1 Ų79.150%0.49544%0.439SS..Hα-helixtrans-48.7-34.8179.200000114.3A174G170-A174 PolarHBondContact O-N 3.17Å
171F71.1Confident68Low100 Ų10080.3 Ų80.344%0.43945%0.449SS..Hα-helixtrans-67.5-46.9172.3172.4-110.6000114.9L26 L169 T173 A174 L198L26-F171 HydrophobicContact CD1-CE1 3.95Å; L26-F171 HydrophobicContact CD1-CZ 4.02Å; L26-F171 HydrophobicContact CD2-CE1 4.25Å; L169-F171 CarbonylContact O-C 3.58Å; L169-F171 PolarHBondContact O-N 2.83Å; F171-T173 VanDerWaalsContact C-N 3.34Å; F171-A174 WeakPolarHBondContact O-CB 3.34Å; F171-A174 PolarHBondContact O-N 3.12Å; F171-L198 HydrophobicContact CB-CD1 4.29Å; F171-L198 HydrophobicContact CB-CD2 4.15Å; F171-L198 HydrophobicContact CD2-CD1 4.01Å; F171-L198 HydrophobicContact CD2-CD2 3.97Å; F171-L198 HydrophobicContact CG-CD2 4.43Å
172L75.7Confident66.4Low19 Ų1983.3 Ų83.310%0.09946%0.46CS..Hα-helixtrans-73.7-29.3-179.5-66.3-168.4000111.7Q23 L26 L169 A174 L175 Y176Q23-L172 HydrophobicContact CG-CD1 3.93Å; L26-L172 HydrophobicContact CB-CD2 4.04Å; L26-L172 HydrophobicContact CD2-CD2 4.01Å; L169-L172 HydrophobicContact CD2-CB 4.13Å; L169-L172 HydrophobicContact CD2-CD1 3.78Å; L169-L172 HydrophobicContact CD2-CG 4.17Å; L169-L172 PolarHBondContact O-N 2.94Å; L172-A174 PolarHBondContact O-N 3.08Å; L172-L175 HydrophobicContact CD2-CD1 3.73Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 PolarHBondContact O-N 2.94Å; L172-Y176 WeakPolarHBondContact O-CD1 3.33Å
173T74.9Confident64.9Low65 Ų6586.5 Ų86.540%0.39947%0.473SS..Hα-helixtrans-59.3-32.1170.6-51.40000112.3L169 F171 L175 Y176L169-T173 PolarHBondContact O-N 3.36Å; L169-T173 PolarHBondContact O-OG1 2.93Å; F171-T173 VanDerWaalsContact C-N 3.34Å; T173-L175 PolarHBondContact O-N 3.33Å; T173-Y176 HydrophobicContact CG2-CE2 3.91Å; T173-Y176 PolarHBondContact O-N 3.09Å
174A75.4Confident63.7Low18 Ų1891.6 Ų91.615%0.14950%0.498CS..THydrogen-bonded Turntrans-69.9-12.7176.500000113.9G170 F171 L172G170-A174 PolarHBondContact O-N 3.17Å; F171-A174 WeakPolarHBondContact O-CB 3.34Å; F171-A174 PolarHBondContact O-N 3.12Å; L172-A174 PolarHBondContact O-N 3.08Å
175L79.6Confident62.1Low28 Ų2890 Ų9015%0.14750%0.504CS..THydrogen-bonded Turntrans-85-26.6177.7-55.5179.1000112.2G22 Q25 L26 S148 L172 T173G22-L175 WeakPolarHBondContact O-CD1 3.43Å; Q25-L175 HydrophobicContact CB-CB 4.09Å; Q25-L175 HydrophobicContact CB-CD1 4.22Å; Q25-L175 PolarHBondContact OE1-O 3.21Å; L26-L175 HydrophobicContact CB-CD1 3.91Å; S148-L175 WeakPolarHBondContact CA-O 3.25Å; S148-L175 WeakPolarHBondContact CB-O 3.46Å; L172-L175 HydrophobicContact CD2-CD1 3.73Å; L172-L175 WeakPolarHBondContact O-CB 3.43Å; L172-L175 PolarHBondContact O-N 2.94Å; T173-L175 PolarHBondContact O-N 3.33Å
176Y79.1Confident61.3Low33 Ų3393.5 Ų93.513%0.12950%0.496CS..EExtended strand (participates in β ladder)trans-116.8175.3-179.956.1-112.8000112.5E21 R149 L151 E159 L172 T173E21-Y176 HydrophobicContact CB-CD1 4.23Å; R149-Y176 WeakPolarHBondContact O-CA 3.36Å; L151-Y176 HydrophobicContact CD1-CD2 3.65Å; L151-Y176 HydrophobicContact CD1-CE2 3.65Å; L151-Y176 HydrophobicContact CD1-CG 4.3Å; L151-Y176 HydrophobicContact CD2-CD1 4.11Å; L151-Y176 HydrophobicContact CD2-CD2 3.92Å; L151-Y176 HydrophobicContact CD2-CE2 4.45Å; L151-Y176 HydrophobicContact CD2-CG 3.71Å; L151-Y176 HydrophobicContact CG-CD2 3.8Å; L151-Y176 HydrophobicContact CG-CE2 4.31Å; L151-Y176 HydrophobicContact CG-CG 4.08Å; E159-Y176 VanDerWaalsContact CD-OH 3.25Å; E159-Y176 HydrophobicContact CG-CE1 4.34Å; E159-Y176 VanDerWaalsContact OE1-CE1 3.24Å; E159-Y176 WeakPolarHBondContact OE1-CE1 3.47Å; E159-Y176 WeakPolarHBondContact OE2-CE1 3.24Å; E159-Y176 PolarHBondContact OE2-OH 2.79Å; L172-Y176 WeakPolarHBondContact O-CD1 3.33Å; T173-Y176 HydrophobicContact CG2-CE2 3.91Å; T173-Y176 PolarHBondContact O-N 3.09Å
177H76.3Confident60Low28 Ų2898.5 Ų98.513%0.1351%0.514CS..EExtended strand (participates in β ladder)trans-143.2155.7172.750.2-101.9000112.3R144 S148 R149 P150 L151 D179R144-H177 PolarHBondContact NH1-CD2 2.94Å; R144-H177 PolarHBondContact NH1-NE2 2.87Å; R144-H177 VanDerWaalsContact NH1-NE2 3.11Å; S148-H177 PolarHBondContact O-CE1 3.29Å; S148-H177 PolarHBondContact OG-ND1 3.18Å; R149-H177 PolarHBondContact O-N 3.18Å; R149-H177 VanDerWaalsContact O-N 3.09Å; P150-H177 VanDerWaalsContact CA-CD2 3.43Å; P150-H177 WeakPolarHBondContact CA-CD2 3.02Å; P150-H177 WeakPolarHBondContact CA-O 3.24Å; P150-H177 VanDerWaalsContact CD-NE2 3.34Å; P150-H177 WeakPolarHBondContact CD-NE2 3.34Å; L151-H177 PolarHBondContact N-O 2.99Å; H177-D179 IonicContact CD2-OD1 3.56Å; H177-D179 PolarHBondContact CD2-OD1 3.28Å; H177-D179 IonicContact NE2-OD1 2.63Å
178R76.6Confident59.1Low105 Ų10594.8 Ų94.840%0.39652%0.517SS..  trans-94.3114.9173.3-137.6172.8-159.6149.19108.3M156 G180M156-R178 HydrophobicContact SD-CG 3.61Å; M156-R178 PolarHBondContact SD-NE 3.48Å; R178-G180 VanDerWaalsContact C-N 3.27Å; R178-G180 PolarHBondContact O-N 2.79Å
179D60.9Low58Low111 Ų11188.2 Ų88.259%0.59451%0.512SS*.THydrogen-bonded Turntrans-78.287.3168.9-79.9-11.5000107.9R144 P150 H177R144-D179 IonicContact NH1-OD1 2.95Å; R144-D179 PolarHBondContact NH1-OD1 3.44Å; P150-D179 HydrophobicContact CB-CB 4.33Å; P150-D179 WeakPolarHBondContact CB-OD2 3.41Å; H177-D179 IonicContact CD2-OD1 3.56Å; H177-D179 PolarHBondContact CD2-OD1 3.28Å; H177-D179 IonicContact NE2-OD1 2.63Å
180G57.2Low57.1Low47 Ų4792 Ų9249%0.48554%0.54SS..THydrogen-bonded Turntrans-175.8-21.9-174.800000114.8R178 T182R178-G180 VanDerWaalsContact C-N 3.27Å; R178-G180 PolarHBondContact O-N 2.79Å; G180-T182 PolarHBondContact O-N 2.94Å
181D50.7Low56.1Low126 Ų12695.5 Ų95.567%0.67456%0.557SS**THydrogen-bonded Turntrans-74.533.6-176.3-49.2-34.2000113.9
182T49.1Very low54.7Low129 Ų12993 Ų9379%0.79155%0.551SS**THydrogen-bonded Turntrans-91.9-21.7168.4-51.70000111.5G180G180-T182 PolarHBondContact O-N 2.94Å
183E43.8Very low53.8Low152 Ų15296.6 Ų96.671%0.7157%0.571SS**SBendtrans-110.3132-177.4-62.8-62.5147.100111.9
184E44.3Very low52.8Low163 Ų16397 Ų9776%0.76258%0.575SS**  trans-30.7131-173.3-55.8-177.6135.500118.5
185S32.6Very low52Low121 Ų12198.7 Ų98.785%0.84658%0.58SS**  trans-144.180.9150.3-79.30000110.7Q187S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 2.73Å
186Q44.4Very low51.1Low164 Ų164100.6 Ų100.677%0.76659%0.59SS**  trans-71.880.4171.5-66.8-176.114.600111.4
187Q33.1Very low50.3Low187 Ų187101.8 Ų101.887%0.87460%0.604SS**SBendtrans-150.495159.7-110.611768.600113S185 A189S185-Q187 VanDerWaalsContact C-N 3.31Å; S185-Q187 PolarHBondContact O-N 2.73Å; Q187-A189 PolarHBondContact O-N 3.15Å; Q187-A189 VanDerWaalsContact O-N 3.13Å
188G39.6Very low49.4Very low97 Ų97102.4 Ų102.4100%161%0.608SS**  trans5444.9137.100000118.9
189A33.4Very low48.8Very low92 Ų92104.2 Ų104.276%0.7662%0.616SS**  trans-124.5133.4160.900000109.6Q187 S191Q187-A189 PolarHBondContact O-N 3.15Å; Q187-A189 VanDerWaalsContact O-N 3.13Å; A189-S191 PolarHBondContact O-N 3.04Å
190S37.5Very low49.3Very low98 Ų98105 Ų10569%0.68561%0.61SS**  trans-49.2132.2-179.9175.60000111.6S192S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.44Å
191S41.9Very low49.6Very low123 Ų123106.4 Ų106.486%0.8661%0.606SS**  trans-7352167.664.40000111.2A189 D193A189-S191 PolarHBondContact O-N 3.04Å; S191-D193 PolarHBondContact O-N 3.26Å
192S43.1Very low50.3Low46 Ų46104.5 Ų104.532%0.32260%0.599SS.*  trans-71.7122.1165.347.30000107.6S190S190-S192 PolarHBondContact O-N 3.35Å; S190-S192 PolarHBondContact OG-N 3.44Å
193D56.3Low51.3Low95 Ų95102.7 Ų102.751%0.50858%0.584SS.*  trans-41.5127.3156.8174-1.9000108.4S191 M195 D196S191-D193 PolarHBondContact O-N 3.26Å; D193-M195 PolarHBondContact O-N 3.08Å; D193-M195 WeakPolarHBondContact OD1-CB 3.32Å; D193-M195 PolarHBondContact OD1-N 3.09Å; D193-D196 HydrophobicContact CB-CB 4.14Å; D193-D196 WeakPolarHBondContact O-CB 3.15Å; D193-D196 PolarHBondContact O-N 3.36Å
194P54.6Low52.4Low74 Ų74103.4 Ų103.448%0.48158%0.58SS.*Hα-helixtrans-54.9-26.7178.521.4-33.3000112.6L198P194-L198 PolarHBondContact O-N 3.19Å
195M57.8Low52.8Low53 Ų53100.2 Ų100.226%0.26158%0.575SS.*Hα-helixtrans-68.1-31172.3-65.3-58.9-54.200113.4F145 D193 L198 Y199F145-M195 HydrophobicContact CE2-SD 4.12Å; F145-M195 HydrophobicContact CZ-SD 4.22Å; D193-M195 PolarHBondContact O-N 3.08Å; D193-M195 WeakPolarHBondContact OD1-CB 3.32Å; D193-M195 PolarHBondContact OD1-N 3.09Å; M195-L198 HydrophobicContact CE-CD1 4.46Å; M195-L198 VanDerWaalsContact O-CB 3.27Å; M195-L198 WeakPolarHBondContact O-CB 3.48Å; M195-L198 PolarHBondContact O-N 3.41Å; M195-L198 HydrophobicContact SD-CD1 4.02Å; M195-Y199 HydrophobicContact CB-CD2 4.43Å; M195-Y199 HydrophobicContact CE-CD2 4.47Å; M195-Y199 HydrophobicContact CE-CE2 4.04Å; M195-Y199 VanDerWaalsContact O-CD2 3.26Å; M195-Y199 WeakPolarHBondContact O-CD2 3.41Å; M195-Y199 PolarHBondContact O-N 2.96Å
196D61.1Low53.7Low68 Ų68100.7 Ų100.736%0.36456%0.564SS.*Hα-helixtrans-73.7-27.5-178.9179.155.5000112.8D193 R200D193-D196 HydrophobicContact CB-CB 4.14Å; D193-D196 WeakPolarHBondContact O-CB 3.15Å; D193-D196 PolarHBondContact O-N 3.36Å; D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.16Å; D196-R200 PolarHBondContact O-NE 3.22Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.35Å; D196-R200 IonicContact OD2-NH2 2.69Å; D196-R200 PolarHBondContact OD2-NH2 2.76Å
197S61.2Low54Low58 Ų58101.4 Ų101.441%0.40657%0.565SS.*Hα-helixtrans-68.6-45.3166.9-162.50000111R200 D201S197-R200 PolarHBondContact O-N 3.11Å; S197-D201 PolarHBondContact O-N 2.89Å
198L57.6Low54.6Low41 Ų41100.8 Ų100.822%0.21556%0.561CS.*Hα-helixtrans-57.7-49.9176.3-104.2154.2000112.8F171 P194 M195 R200 D201 V202F171-L198 HydrophobicContact CB-CD1 4.29Å; F171-L198 HydrophobicContact CB-CD2 4.15Å; F171-L198 HydrophobicContact CD2-CD1 4.01Å; F171-L198 HydrophobicContact CD2-CD2 3.97Å; F171-L198 HydrophobicContact CG-CD2 4.43Å; P194-L198 PolarHBondContact O-N 3.19Å; M195-L198 HydrophobicContact CE-CD1 4.46Å; M195-L198 VanDerWaalsContact O-CB 3.27Å; M195-L198 WeakPolarHBondContact O-CB 3.48Å; M195-L198 PolarHBondContact O-N 3.41Å; M195-L198 HydrophobicContact SD-CD1 4.02Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.9Å; L198-D201 PolarHBondContact O-N 3.49Å; L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 2.92Å
199Y65.7Low54.9Low144 Ų144103 Ų10357%0.56555%0.548SS*.Hα-helixtrans-60.9-41176.2-88.9-71.4000111M195 D201 L203M195-Y199 HydrophobicContact CB-CD2 4.43Å; M195-Y199 HydrophobicContact CE-CD2 4.47Å; M195-Y199 HydrophobicContact CE-CE2 4.04Å; M195-Y199 VanDerWaalsContact O-CD2 3.26Å; M195-Y199 WeakPolarHBondContact O-CD2 3.41Å; M195-Y199 PolarHBondContact O-N 2.96Å; Y199-D201 PolarHBondContact O-N 3.33Å; Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 WeakPolarHBondContact O-CD1 3.3Å; Y199-L203 WeakPolarHBondContact O-CG 3.31Å; Y199-L203 PolarHBondContact O-N 2.65Å
200R69.9Low54.9Low128 Ų128103.2 Ų103.248%0.48355%0.545SS..Hα-helixtrans-61.4-42.7175.6-90.8-174.6-88.7-171.7-3.6113.6D196 S197 L198 R204D196-R200 WeakPolarHBondContact O-CB 3.43Å; D196-R200 PolarHBondContact O-N 2.93Å; D196-R200 VanDerWaalsContact O-N 3.16Å; D196-R200 PolarHBondContact O-NE 3.22Å; D196-R200 IonicContact OD2-CZ 2.65Å; D196-R200 IonicContact OD2-NE 3.35Å; D196-R200 IonicContact OD2-NH2 2.69Å; D196-R200 PolarHBondContact OD2-NH2 2.76Å; S197-R200 PolarHBondContact O-N 3.11Å; L198-R200 VanDerWaalsContact C-N 3.31Å; L198-R200 PolarHBondContact O-N 2.9Å; R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 WeakPolarHBondContact O-CG 3.19Å; R200-R204 PolarHBondContact O-N 3.35Å
201D63.4Low55Low75 Ų75104.3 Ų104.340%0.40155%0.549SS..Hα-helixtrans-75.7-38.4-178-70.4-30000112.5S197 L198 Y199 R204 C205S197-D201 PolarHBondContact O-N 2.89Å; L198-D201 PolarHBondContact O-N 3.49Å; Y199-D201 PolarHBondContact O-N 3.33Å; D201-R204 WeakPolarHBondContact O-CB 3.44Å; D201-R204 PolarHBondContact O-N 2.93Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 3.5Å; D201-C205 PolarHBondContact O-N 2.87Å; D201-C205 PolarHBondContact O-SG 2.97Å
202V66.4Low54.6Low86 Ų86107.7 Ų107.752%0.52155%0.552SS.*Hα-helixtrans-62-44.9171.9173.70000111.1L198 R204 C205 Q206L198-V202 WeakPolarHBondContact O-CG2 3.24Å; L198-V202 PolarHBondContact O-N 2.92Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.29Å; V202-C205 PolarHBondContact O-N 3.39Å; V202-Q206 PolarHBondContact O-N 3.38Å; V202-Q206 VanDerWaalsContact O-N 3.08Å
203L68.8Low54Low92 Ų92112.9 Ų112.948%0.48258%0.576SS.*Hα-helixtrans-69.8-27.7178-68.3169.7000112.9Y199 K207Y199-L203 WeakPolarHBondContact O-CB 3.37Å; Y199-L203 WeakPolarHBondContact O-CD1 3.3Å; Y199-L203 WeakPolarHBondContact O-CG 3.31Å; Y199-L203 PolarHBondContact O-N 2.65Å; L203-K207 PolarHBondContact O-N 2.88Å
204R67.5Low53.1Low166 Ų166113.6 Ų113.663%0.62659%0.588SS**Hα-helixtrans-64.9-48.8168.8-87.5176.2174.5153.8-7111.6R200 D201 V202 Q206 K207R200-R204 WeakPolarHBondContact O-CB 3.21Å; R200-R204 WeakPolarHBondContact O-CG 3.19Å; R200-R204 PolarHBondContact O-N 3.35Å; D201-R204 WeakPolarHBondContact O-CB 3.44Å; D201-R204 PolarHBondContact O-N 2.93Å; D201-R204 IonicContact OD1-NH1 2.72Å; D201-R204 PolarHBondContact OD1-NH1 3.5Å; V202-R204 VanDerWaalsContact C-N 3.34Å; V202-R204 PolarHBondContact O-N 3.29Å; R204-Q206 PolarHBondContact O-N 2.89Å; R204-K207 PolarHBondContact O-N 3.32Å
205C53Low52.1Low96 Ų96119.4 Ų119.465%0.64961%0.609SS**Hα-helixtrans-59.8-34.8177.5-69.70000112D201 V202 K207 H208D201-C205 PolarHBondContact O-N 2.87Å; D201-C205 PolarHBondContact O-SG 2.97Å; V202-C205 PolarHBondContact O-N 3.39Å; C205-K207 VanDerWaalsContact C-N 3.34Å; C205-K207 PolarHBondContact O-N 2.96Å; C205-H208 PolarHBondContact O-N 3.28Å
206Q51Low50.8Low132 Ų132119.9 Ų119.962%0.61763%0.627SS**Hα-helixtrans-72-23.5179.8-158.4157.742.300113.9V202 R204 H208 I209V202-Q206 PolarHBondContact O-N 3.38Å; V202-Q206 VanDerWaalsContact O-N 3.08Å; R204-Q206 PolarHBondContact O-N 2.89Å; Q206-H208 PolarHBondContact O-N 3.38Å; Q206-I209 PolarHBondContact O-N 2.99Å
207K50.2Low49.3Very low179 Ų179126.4 Ų126.478%0.77866%0.656SS**THydrogen-bonded Turntrans-71.2-9.5175.7-79.3-175.7176-175.10114.9L203 R204 C205 I209L203-K207 PolarHBondContact O-N 2.88Å; R204-K207 PolarHBondContact O-N 3.32Å; C205-K207 VanDerWaalsContact C-N 3.34Å; C205-K207 PolarHBondContact O-N 2.96Å; K207-I209 VanDerWaalsContact C-N 3.33Å
208H47Very low47.8Very low173 Ų173132.5 Ų132.580%0.80168%0.678SS**THydrogen-bonded Turntrans-89.25.6174.4-77.2-78.2000113.9C205 Q206C205-H208 PolarHBondContact O-N 3.28Å; Q206-H208 PolarHBondContact O-N 3.38Å
209I45.9Very low46.4Very low143 Ų143134.8 Ų134.873%0.73370%0.702SS**  trans-126.784175.7-50177.9000109.1Q206 K207Q206-I209 PolarHBondContact O-N 2.99Å; K207-I209 VanDerWaalsContact C-N 3.33Å
210S33.3Very low44.6Very low98 Ų98135 Ų13569%0.68572%0.718SS**  trans-147.2139.5162.1-71.70000108.3
211P39.8Very low42.6Very low120 Ų120132 Ų13278%0.77973%0.728SS**  trans-76.1131.4-172.830.6-33.7000110.8
212E31.9Very low40.9Very low195 Ų195134.2 Ų134.291%0.91175%0.749SS**  trans-85.2108.9163.4-65.2-160.3140.700108.8
213D30.9Very low39.1Very low155 Ų155134.6 Ų134.683%0.82976%0.761SS**  trans-80.9148.6160.3-91-46.2000110
214S38.8Very low37.1Very low109 Ų109136.1 Ų136.176%0.76278%0.779SS**  trans-70.4149.2-165.3-61.10000114
215E32.8Very low35.2Very low197 Ų197131.9 Ų131.992%0.92179%0.787SS**  178.7134.896.9-91.6-168.4149.700114.1
216G29.7Very low34.2Very low62 Ų62136.9 Ų136.964%0.63980%0.801SS**  trans92.387.8143.600000120
217Q31.2Very low33.3Very low206 Ų206135.4 Ų135.496%0.96381%0.805SS**  -165.7167.4123.5-106.9151.192.600114.3
218Q28.8Very low32.3Very low186 Ų186132.6 Ų132.687%0.86980%0.799SS**  trans-96161.5-157.9-61.9168.4-27.300114.4
219A28Very low31.7Very low89 Ų89131 Ų13174%0.73679%0.792SS**  trans70.2143.115300000116.7
220V27.7Very low30.9Very low147 Ų147130.2 Ų130.289%0.89180%0.799SS**  cis-160.6157.30.5-110.90000109
221G27.6Very low30.8Very low67 Ų67132.7 Ų132.769%0.69180%0.8SS**  trans107.795.8142.400000120.1
222S28.7Very low30.2Very low121 Ų121131.7 Ų131.785%0.84680%0.796SS**  64.798.5127.7-53.70000122.4
223A28Very low30.3Very low94 Ų94126.3 Ų126.378%0.77778%0.78SS**  77.6129.5115.200000123.3
224S28.4Very low30.3Very low123 Ų123127.7 Ų127.786%0.8678%0.781SS**  trans8298.9150.970.30000119.5
225G26.8Very low29.7Very low77 Ų77127 Ų12779%0.79478%0.776SS**  trans-105.8165.4143.600000110.1
226Q32.6Very low29.4Very low201 Ų201125.7 Ų125.794%0.93978%0.775SS**  trans-114.9143.4162.9-77-172-11.400110.4
227S32Very low29.4Very low101 Ų101128 Ų12871%0.70678%0.781SS**  trans-51.9176.6175-25.80000114.7
228D29.4Very low29.6Very low120 Ų120124.5 Ų124.564%0.64278%0.776SS**  cis-148.113418.6-100.8-48.4000109.7
229Q33.2Very low29.5Very low140 Ų140126.1 Ų126.165%0.65477%0.774SS**  68.512789.9-74.2-165.384.500118.1
230S29Very low29.6Very low127 Ų127130.6 Ų130.689%0.88878%0.78SS**  trans-147.3122.8153-66.50000108
231Q31.4Very low29.4Very low150 Ų150126.4 Ų126.470%0.70177%0.766SS**  trans-89.8141.5-175.8-64.6-177.91.500109.8
232S28.3Very low29.5Very low99 Ų99129 Ų12969%0.69277%0.774SS**  60136.478.9130.90000112.8
233S32.4Very low29.3Very low82 Ų82129.8 Ų129.857%0.57377%0.768SS**  cis-167.215613.9-91.30000112.2
234Q31Very low29.3Very low184 Ų184131.9 Ų131.986%0.8677%0.766SS**  trans49.4157.6132.5-59.3176.343.600121.3
235S26.1Very low29.2Very low95 Ų95133.8 Ų133.866%0.66476%0.761SS**  cis-175.4178-18.2-179.60000108.2
236L27.4Very low29.2Very low168 Ų168135 Ų13588%0.8876%0.758SS**  trans88.6139.5162.4-50.4178.7000120.5
237S29.3Very low28.9Very low110 Ų110134 Ų13477%0.76975%0.75SS**  trans-113.7163.317355.30000111
238P35.4Very low28.5Very low134 Ų134135.2 Ų135.287%0.8775%0.749SS**  -150.6-158.1113.237.4-17.4000115.6
239R27.3Very low28.3Very low220 Ų220134.8 Ų134.883%0.8375%0.75SS**  trans-111.5178.8-156.2-64177.5161-143.4-0116.5
240H29.6Very low28Very low183 Ų183133.7 Ų133.785%0.84776%0.758SS**  trans83146.4166.4-60.363.3000115.1
241G23.9Very low27.8Very low58 Ų58135.3 Ų135.360%0.59875%0.752SS**  cis154.7151.6-5.600000111.8
242S28.6Very low27.5Very low122 Ų122135 Ų13585%0.85375%0.75SS**  trans69.2156.3173.786.60000115.8
243D24.9Very low27.5Very low138 Ų138137 Ų13774%0.73875%0.748SS**  cis-167.8170.7-20.2-137.7-46.5000110.4
244L27.4Very low27.3Very low137 Ų137140.6 Ų140.672%0.71776%0.756SS**  trans61.1163.1159-60.9164.5000119.2
245Q26.4Very low27Very low163 Ų163140 Ų14076%0.76276%0.759SS**  cis-169.4169.4-42.1-153.4170.434.700107.8
246S27.1Very low26.9Very low104 Ų104139 Ų13973%0.72776%0.764SS**  trans78.9151.2161.2-560000118.8
247K26.1Very low26.9Very low180 Ų180136 Ų13678%0.78376%0.764SS**  cis-170.8178.7-33.7-137.8-177.7175.6-164.90109.3
248D23.4Very low26.8Very low126 Ų126139.8 Ų139.867%0.67477%0.769SS**  trans72.6145.6161.2-61-3.8000118.2
249T25.3Very low26.3Very low110 Ų110140.1 Ų140.168%0.67577%0.769SS**  cis149.4125-30.442.90000108.4
250S27.5Very low26.5Very low117 Ų117136.6 Ų136.682%0.81877%0.766SS**  trans178.9111.9147.617.80000106.4
251E25.3Very low26.7Very low161 Ų161133.4 Ų133.475%0.75276%0.762SS**  78.5100.854.3-68.8-160.4152.900115.2
252H25.9Very low27.2Very low145 Ų145136.7 Ų136.767%0.67177%0.772SS**  179.8127.1112.3-94.361.5000108
253Q28Very low27.6Very low139 Ų139135 Ų13565%0.6577%0.766SS**  77.3131.256.3-167179.1107.700110.8
254Q26.8Very low27.9Very low158 Ų158133.9 Ų133.974%0.73877%0.767SS**  cis-160.6160.6-9.5-119.2163.71.400107.5
255D26.1Very low28.2Very low171 Ų171133.1 Ų133.191%0.91477%0.77SS**  -178.5150.3123.5-100.8-21.4000110.5
256G24.1Very low28.6Very low75 Ų75132.5 Ų132.577%0.77377%0.767SS**  trans-141.5172.1-170.600000114.8
257A27Very low28.6Very low106 Ų106138.6 Ų138.688%0.87677%0.774SS**  trans-152.3128.7163.600000109.2
258E27.2Very low29.4Very low189 Ų189136.6 Ų136.688%0.88377%0.77SS**  trans-78.6147.2177.9-59.3173.9112.300111.8
259T25.5Very low29.9Very low140 Ų140137.1 Ų137.186%0.85977%0.773SS**  trans-155.8145.9143.4-63.70000109.7
260N31.3Very low30.5Very low147 Ų147135.4 Ų135.479%0.78676%0.759SS**PPolyproline II helixtrans-54.8156.1-169.8-71.1-60.7000116.9
261P33.5Very low30.7Very low116 Ų116134.6 Ų134.675%0.75375%0.746SS**PPolyproline II helixtrans-73.1139.2-174.530-36.2000113.1
262P33.7Very low31.7Very low126 Ų126130.9 Ų130.982%0.81873%0.728SS**PPolyproline II helixtrans-72.9146170.130.1-32.8000111.6
263A36.4Very low32.2Very low88 Ų88130 Ų13073%0.72772%0.724SS**PPolyproline II helixtrans-58.4156.8-178.900000113.5
264P32.3Very low32.9Very low114 Ų114130.5 Ų130.574%0.7473%0.73SS**PPolyproline II helixtrans-62.2144.8-176.226-36000112.4E266P264-E266 PolarHBondContact O-N 3.13Å
265P34.1Very low33.2Very low120 Ų120126.3 Ų126.378%0.77973%0.73SS**PPolyproline II helixtrans-67129.2-178.726.7-33.9000111.7R267P265-R267 PolarHBondContact O-N 2.94Å
266E35.3Very low33.5Very low150 Ų150129.9 Ų129.970%0.70173%0.73SS**PPolyproline II helixtrans-62.3119.2176.8-65175.2128.700109.9P264 K355P264-E266 PolarHBondContact O-N 3.13Å; E266-K355 IonicContact OE2-NZ 3.55Å; E266-K355 PolarHBondContact OE2-NZ 2.88Å
267R27Very low33.9Very low233 Ų233134.7 Ų134.788%0.87974%0.738SS**PPolyproline II helixtrans-80.9129.5175.7-66.2-180175.2-171.1-2.2109.6P265P265-R267 PolarHBondContact O-N 2.94Å
268I42.1Very low33.9Very low138 Ų138135.3 Ų135.371%0.70874%0.735SS**  trans-121.5114.1175.7-55.8179.8000108.9
269D34.1Very low34Very low136 Ų136129.7 Ų129.773%0.72773%0.728SS**  trans-107.5118.6-173-83.9-45.8000112.1
270L38.5Very low34.4Very low75 Ų75128.2 Ų128.239%0.39373%0.73SS.*  trans-150.4125.8172.2-71.4178.1000113.7L288 T290 P359L270-L288 CarbonylContact C-O 3.48Å; L270-L288 VanDerWaalsContact C-O 3.29Å; L270-L288 HydrophobicContact CB-CD2 3.87Å; L270-L288 HydrophobicContact CD1-CD2 3.99Å; L270-L288 HydrophobicContact CG-CD2 4.44Å; L270-T290 VanDerWaalsContact O-CA 3.31Å; L270-T290 WeakPolarHBondContact O-CA 3.5Å; L270-T290 WeakPolarHBondContact O-CB 3.29Å; L270-T290 VanDerWaalsContact O-CG2 3.24Å; L270-T290 WeakPolarHBondContact O-CG2 3.21Å; L270-T290 PolarHBondContact O-N 2.92Å; L270-T290 VanDerWaalsContact O-N 3.09Å; L270-T290 PolarHBondContact O-OG1 3.3Å; L270-P359 HydrophobicContact CD1-CB 4.32Å; L270-P359 HydrophobicContact CD1-CG 4.2Å
271N31.2Very low34.2Very low99 Ų99126.7 Ų126.753%0.52973%0.731SS.*  trans-118.8131-161.5-107.7-69000117.9L288N271-L288 CarbonylContact C-O 3.59Å; N271-L288 WeakPolarHBondContact CA-O 3.44Å; N271-L288 PolarHBondContact N-O 3.1Å; N271-L288 VanDerWaalsContact N-O 3.07Å; N271-L288 CarbonylContact O-C 3.56Å; N271-L288 PolarHBondContact O-N 3Å
272Q46.2Very low34.1Very low83 Ų83125.6 Ų125.639%0.38873%0.732SS.*  trans103.594.9143.245.2152.8-41.900126.1K287 L288 L289Q272-K287 HydrophobicContact CB-CD 4.36Å; Q272-K287 CarbonylContact O-C 3.57Å; Q272-K287 VanDerWaalsContact O-CA 3.28Å; Q272-K287 WeakPolarHBondContact O-CA 3.29Å; Q272-K287 WeakPolarHBondContact O-CB 3.31Å; Q272-K287 VanDerWaalsContact O-CD 3.24Å; Q272-K287 WeakPolarHBondContact O-CD 3.08Å; Q272-K287 WeakPolarHBondContact O-CG 3.01Å; Q272-L288 PolarHBondContact N-O 2.88Å; Q272-L288 PolarHBondContact O-N 3.07Å; Q272-L288 VanDerWaalsContact O-N 3.1Å; Q272-L289 HydrophobicContact CB-CD2 4.23Å; Q272-L289 HydrophobicContact CB-CG 3.98Å; Q272-L289 VanDerWaalsContact N-CA 3.3Å
273Q36.1Very low33.9Very low126 Ų126124.4 Ų124.459%0.58973%0.732SS**  trans99-175.5140.1-124.9149.7-2.200120.9K287 L289Q273-K287 HydrophobicContact CB-CD 4.42Å; Q273-L289 VanDerWaalsContact N-CD1 3.3Å
274I42.1Very low34.1Very low150 Ų150130.4 Ų130.477%0.76974%0.742SS**  trans-141.1135.1-163.6-63.7165.5000111.6
275G33Very low34.2Very low71 Ų71130.2 Ų130.273%0.73274%0.744SS**  trans-89125.6-179.300000116.6
276R33.3Very low34.2Very low245 Ų245134 Ų13493%0.92575%0.751SS**  trans-72149.5159.9-88.4-177.3171.2-174.7-2.1110.3
277L31.5Very low34.2Very low177 Ų177131.8 Ų131.893%0.92774%0.739SS**  trans-84.1114.6164.3-65.1175.1000109.8
278S28.2Very low34.6Very low119 Ų119124.6 Ų124.683%0.83272%0.717SS**  trans-140.1153.2161-170.30000108.5
279G29.6Very low34.3Very low71 Ų71123 Ų12373%0.73271%0.709SS**  trans-63157.8-172.900000114.5
280A32.9Very low34.4Very low109 Ų109119.2 Ų119.290%0.90169%0.691SS**  trans-57.1132-16900000116
281S27.8Very low34.4Very low114 Ų114118.4 Ų118.480%0.79769%0.69SS**  -162.8131.3123.3-166.80000111.7
282A31.8Very low34.4Very low94 Ų94119.6 Ų119.678%0.77771%0.706SS**  trans41.8146.7157.100000123.6
283A28.1Very low34.4Very low100 Ų100118.2 Ų118.283%0.82671%0.714SS**  trans80.196.2159.600000120
284K40.6Very low34.6Very low215 Ų215121 Ų12194%0.93573%0.727SS**  trans-8.4116.1151.9-62.5173.6176.2179.10117.8
285S35.8Very low35.3Very low110 Ų110116.5 Ų116.577%0.76970%0.704SS**  -173.996.4121.9-1690000109.7K287S285-K287 PolarHBondContact O-N 3.41Å
286E33.4Very low36.7Very low200 Ų200121.2 Ų121.294%0.93570%0.704SS**  trans-81.2108.8168.9-71.1-165.5154.800108.8
287K35.7Very low38.2Very low103 Ų103114.3 Ų114.345%0.44869%0.69SS.*  trans-90.7145.8-177.1-162.6-158167.9-168.50107.2Q272 Q273 S285Q272-K287 HydrophobicContact CB-CD 4.36Å; Q272-K287 CarbonylContact O-C 3.57Å; Q272-K287 VanDerWaalsContact O-CA 3.28Å; Q272-K287 WeakPolarHBondContact O-CA 3.29Å; Q272-K287 WeakPolarHBondContact O-CB 3.31Å; Q272-K287 VanDerWaalsContact O-CD 3.24Å; Q272-K287 WeakPolarHBondContact O-CD 3.08Å; Q272-K287 WeakPolarHBondContact O-CG 3.01Å; Q273-K287 HydrophobicContact CB-CD 4.42Å; S285-K287 PolarHBondContact O-N 3.41Å
288L33.7Very low40.2Very low81 Ų81107.3 Ų107.342%0.42465%0.653SS.*  trans-135.9100.6-155.2-170.5139.1000115.2L270 N271 Q272L270-L288 CarbonylContact C-O 3.48Å; L270-L288 VanDerWaalsContact C-O 3.29Å; L270-L288 HydrophobicContact CB-CD2 3.87Å; L270-L288 HydrophobicContact CD1-CD2 3.99Å; L270-L288 HydrophobicContact CG-CD2 4.44Å; N271-L288 CarbonylContact C-O 3.59Å; N271-L288 WeakPolarHBondContact CA-O 3.44Å; N271-L288 PolarHBondContact N-O 3.1Å; N271-L288 VanDerWaalsContact N-O 3.07Å; N271-L288 CarbonylContact O-C 3.56Å; N271-L288 PolarHBondContact O-N 3Å; Q272-L288 PolarHBondContact N-O 2.88Å; Q272-L288 PolarHBondContact O-N 3.07Å; Q272-L288 VanDerWaalsContact O-N 3.1Å
289L37.1Very low42.8Very low104 Ų104105.1 Ų105.155%0.54564%0.636SS.*  trans-63.7133.3-168-110.8158.1000117.5Q272 Q273Q272-L289 HydrophobicContact CB-CD2 4.23Å; Q272-L289 HydrophobicContact CB-CG 3.98Å; Q272-L289 VanDerWaalsContact N-CA 3.3Å; Q273-L289 VanDerWaalsContact N-CD1 3.3Å
290T36.3Very low45.2Very low57 Ų57105.6 Ų105.635%0.3562%0.622SS.*  trans-78.6148170-80000112.1L270L270-T290 VanDerWaalsContact O-CA 3.31Å; L270-T290 WeakPolarHBondContact O-CA 3.5Å; L270-T290 WeakPolarHBondContact O-CB 3.29Å; L270-T290 VanDerWaalsContact O-CG2 3.24Å; L270-T290 WeakPolarHBondContact O-CG2 3.21Å; L270-T290 PolarHBondContact O-N 2.92Å; L270-T290 VanDerWaalsContact O-N 3.09Å; L270-T290 PolarHBondContact O-OG1 3.3Å
291V38Very low47.5Very low58 Ų58107.4 Ų107.435%0.35261%0.612SS.*  trans-109115.1157.7176.80000107.1I295 I342 A343V291-I295 HydrophobicContact CG1-CD1 4.24Å; V291-I342 HydrophobicContact CG2-CB 4.43Å; V291-I342 HydrophobicContact CG2-CG2 3.99Å; V291-A343 HydrophobicContact CG1-CB 3.93Å
292S30.2Very low50.2Low124 Ų124105.8 Ų105.887%0.86759%0.591SS**  trans-102.1128.4172.9-176.60000109.9
293G46.2Very low52.7Low55 Ų55101.3 Ų101.357%0.56755%0.554SS**SBendtrans162.1163.2179.400000111.6I295G293-I295 PolarHBondContact O-N 2.54Å
294E42.2Very low55.4Low183 Ų183101.2 Ų101.286%0.85554%0.539SS*.  trans-70.189.8173.4-67.4-178.8176.600110.5K296E294-K296 PolarHBondContact O-N 3.09Å; E294-K296 VanDerWaalsContact O-N 3.12Å
295I56.3Low57.5Low57 Ų5797.3 Ų97.329%0.29253%0.529SS..  trans-80.396176.3-54.3-175.4000108.8V291 G293 T297 V346 A347V291-I295 HydrophobicContact CG1-CD1 4.24Å; G293-I295 PolarHBondContact O-N 2.54Å; I295-T297 PolarHBondContact O-N 3.41Å; I295-T297 VanDerWaalsContact O-N 3.17Å; I295-V346 HydrophobicContact CD1-CB 4.01Å; I295-V346 HydrophobicContact CD1-CG1 3.48Å; I295-V346 VanDerWaalsContact CD1-CG1 3.48Å; I295-A347 HydrophobicContact CG2-CB 3.81Å
296K61.6Low59.9Low170 Ų17095.6 Ų95.674%0.73951%0.511SS*.  trans-62.8113.8168.4-64.2-178-179.4-178.80109E294 L298E294-K296 PolarHBondContact O-N 3.09Å; E294-K296 VanDerWaalsContact O-N 3.12Å; K296-L298 PolarHBondContact O-N 3.22Å
297T64.9Low62.6Low100 Ų10089.7 Ų89.761%0.61348%0.48SS*.PPolyproline II helixtrans-68.8117.1174.851.40000109.9I295I295-T297 PolarHBondContact O-N 3.41Å; I295-T297 VanDerWaalsContact O-N 3.17Å
298L74.6Confident65.1Low29 Ų2986.5 Ų86.515%0.15247%0.467CS..PPolyproline II helixtrans-70.5125.3179.1-62.9170.7000109.9K296 E302 I303 L348 R351K296-L298 PolarHBondContact O-N 3.22Å; L298-E302 WeakPolarHBondContact CD2-OE2 3.36Å; L298-I303 HydrophobicContact CB-CG1 4.45Å; L298-L348 HydrophobicContact CD1-CD2 3.81Å; L298-L348 HydrophobicContact CD1-CG 4.39Å; L298-R351 PolarHBondContact O-NH1 2.9Å; L298-R351 PolarHBondContact O-NH2 2.82Å
299P81Confident67.7Low74 Ų7485.1 Ų85.148%0.48146%0.464SS..PPolyproline II helixtrans-65.4154.9178.828-34.5000111.7E301 E302 I303P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.4Å; P299-E302 WeakPolarHBondContact CD-OE2 3.39Å; P299-E302 HydrophobicContact CG-CB 3.88Å; P299-E302 PolarHBondContact O-N 2.91Å; P299-E302 VanDerWaalsContact O-N 3.13Å; P299-I303 PolarHBondContact O-N 3.2Å
300D80.9Confident70Confident80 Ų8082.8 Ų82.843%0.42845%0.452SS..Hα-helixtrans-58.6-38.1-177.8-69.4-17.2000112.1E302 I303 L304 R351 L389D300-E302 VanDerWaalsContact C-N 3.34Å; D300-E302 PolarHBondContact O-N 2.92Å; D300-I303 PolarHBondContact O-N 2.83Å; D300-L304 WeakPolarHBondContact O-CG 3.42Å; D300-L304 PolarHBondContact O-N 3.42Å; D300-R351 IonicContact OD1-CZ 3.35Å; D300-R351 IonicContact OD1-NH1 3.55Å; D300-R351 PolarHBondContact OD1-NH1 3.43Å; D300-L389 HydrophobicContact CB-CD1 4.26Å
301E81.2Confident72.3Confident148 Ų14886.4 Ų86.469%0.69247%0.465SS*.Hα-helixtrans-60.2-40177-61-173-178.200112.7P299 I303 L304 N305P299-E301 VanDerWaalsContact C-N 3.25Å; P299-E301 PolarHBondContact O-N 3.4Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.94Å; E301-L304 PolarHBondContact O-N 2.98Å; E301-N305 VanDerWaalsContact O-CB 3.27Å; E301-N305 WeakPolarHBondContact O-CB 3.41Å; E301-N305 PolarHBondContact O-N 3.46Å; E301-N305 PolarHBondContact O-ND2 3.36Å; E301-N305 VanDerWaalsContact O-ND2 3.08Å
302E83.5Confident74.6Confident80 Ų8084.4 Ų84.437%0.37446%0.456SS..Hα-helixtrans-67.2-34.2178.8-174.5179.8172.600111.6L298 P299 D300 N306L298-E302 WeakPolarHBondContact CD2-OE2 3.36Å; P299-E302 WeakPolarHBondContact CD-OE2 3.39Å; P299-E302 HydrophobicContact CG-CB 3.88Å; P299-E302 PolarHBondContact O-N 2.91Å; P299-E302 VanDerWaalsContact O-N 3.13Å; D300-E302 VanDerWaalsContact C-N 3.34Å; D300-E302 PolarHBondContact O-N 2.92Å; E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.17Å; E302-N306 PolarHBondContact O-ND2 3.1Å
303I84.9Confident77.3Confident0 Ų078.5 Ų78.50%042%0.415CS..Hα-helixtrans-70.9-45.5175.9-67.6-176.2000111L298 P299 D300 E301 N306 R307 L348 R351 L389 Y393L298-I303 HydrophobicContact CB-CG1 4.45Å; P299-I303 PolarHBondContact O-N 3.2Å; D300-I303 PolarHBondContact O-N 2.83Å; E301-I303 VanDerWaalsContact C-N 3.31Å; E301-I303 PolarHBondContact O-N 2.94Å; I303-N306 CarbonylContact O-C 3.51Å; I303-N306 PolarHBondContact O-N 3.11Å; I303-R307 PolarHBondContact O-N 3.09Å; I303-L348 HydrophobicContact CD1-CD2 3.57Å; I303-L348 HydrophobicContact CG1-CD2 4.1Å; I303-R351 VanDerWaalsContact CD1-CZ 3.43Å; I303-R351 VanDerWaalsContact CD1-NH2 3.26Å; I303-L389 HydrophobicContact CB-CD2 4.27Å; I303-L389 HydrophobicContact CD1-CD2 3.8Å; I303-L389 HydrophobicContact CG2-CD2 3.87Å; I303-L389 VanDerWaalsContact CG2-O 3.32Å; I303-L389 WeakPolarHBondContact CG2-O 3.41Å; I303-Y393 HydrophobicContact CB-CD2 4.1Å; I303-Y393 HydrophobicContact CB-CE2 4.46Å; I303-Y393 HydrophobicContact CG1-CD2 4.04Å; I303-Y393 HydrophobicContact CG1-CE2 4.04Å; I303-Y393 HydrophobicContact CG2-CD2 3.86Å; I303-Y393 HydrophobicContact CG2-CG 4.34Å
304L84.4Confident79.3Confident98 Ų9881.7 Ų81.751%0.51341%0.41SS..Hα-helixtrans-64.3-40.8179.4-67.3172.7000111.7D300 E301 N306 R307D300-L304 WeakPolarHBondContact O-CG 3.42Å; D300-L304 PolarHBondContact O-N 3.42Å; E301-L304 PolarHBondContact O-N 2.98Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.32Å; L304-R307 WeakPolarHBondContact O-CB 3.48Å; L304-R307 PolarHBondContact O-N 3.06Å
305N85Confident81.6Confident133 Ų13377.3 Ų77.371%0.71140%0.399SS*.Hα-helixtrans-68-28.1177.8-70.9-27.2000113.4E301E301-N305 VanDerWaalsContact O-CB 3.27Å; E301-N305 WeakPolarHBondContact O-CB 3.41Å; E301-N305 PolarHBondContact O-N 3.46Å; E301-N305 PolarHBondContact O-ND2 3.36Å; E301-N305 VanDerWaalsContact O-ND2 3.08Å
306N86.7Confident83Confident74 Ų7477.2 Ų77.240%0.39640%0.398SS..THydrogen-bonded Turntrans-101.215.2179.1-71.1-73.1000113.7E302 I303 L304 Y393 R394E302-N306 WeakPolarHBondContact O-CB 3.36Å; E302-N306 PolarHBondContact O-N 3.17Å; E302-N306 PolarHBondContact O-ND2 3.1Å; I303-N306 CarbonylContact O-C 3.51Å; I303-N306 PolarHBondContact O-N 3.11Å; L304-N306 VanDerWaalsContact C-N 3.32Å; L304-N306 PolarHBondContact O-N 3.32Å; N306-Y393 HydrophobicContact CB-CD2 4.18Å; N306-Y393 HydrophobicContact CB-CE2 3.93Å; N306-R394 WeakPolarHBondContact O-CB 3.37Å; N306-R394 WeakPolarHBondContact O-CG 3.43Å; N306-R394 PolarHBondContact O-N 3.3Å
307R90.1Very high84.1Confident76 Ų7673 Ų7329%0.28740%0.396SS..BIsolated β-bridgetrans-83.8135.4179.4173.2170.6175.8163.12.9111.8I303 L304 D310 R388 H391I303-R307 PolarHBondContact O-N 3.09Å; L304-R307 WeakPolarHBondContact O-CB 3.48Å; L304-R307 PolarHBondContact O-N 3.06Å; R307-D310 IonicContact CZ-OD1 2.96Å; R307-D310 IonicContact NH2-OD1 2.65Å; R307-D310 PolarHBondContact NH2-OD1 3.18Å; R307-R388 PolarHBondContact NH1-O 3.16Å; R307-H391 WeakPolarHBondContact CD-O 3.19Å; R307-H391 WeakPolarHBondContact CG-O 3.42Å; R307-H391 VanDerWaalsContact CZ-O 3.26Å; R307-H391 PolarHBondContact NE-O 2.83Å
308E89.3Confident85.1Confident35 Ų3578.2 Ų78.216%0.16440%0.404CS..PPolyproline II helixtrans-76.4140.9164.6-172.854.7-10000111.8I313 G392 R394 P399E308-I313 HydrophobicContact CB-CG1 4.22Å; E308-I313 HydrophobicContact CG-CG1 3.96Å; E308-G392 WeakPolarHBondContact CB-O 3.11Å; E308-G392 PolarHBondContact N-O 2.92Å; E308-R394 HydrophobicContact CB-CG 4.5Å; E308-R394 IonicContact OE2-CZ 3.33Å; E308-R394 VanDerWaalsContact OE2-CZ 3.31Å; E308-R394 IonicContact OE2-NE 3.21Å; E308-R394 PolarHBondContact OE2-NE 3.4Å; E308-R394 VanDerWaalsContact OE2-NE 3.12Å; E308-R394 IonicContact OE2-NH2 3.77Å; E308-R394 PolarHBondContact OE2-NH2 3.21Å; E308-P399 HydrophobicContact CB-CB 3.63Å; E308-P399 HydrophobicContact CB-CG 4.43Å; E308-P399 HydrophobicContact CG-CB 4.11Å; E308-P399 HydrophobicContact CG-CG 4.41Å
309S88.3Confident85.7Confident52 Ų5278 Ų7836%0.36440%0.402SS..PPolyproline II helixtrans-59.1147.3173.457.30000112.2E311 G312 I313S309-E311 PolarHBondContact O-N 2.9Å; S309-G312 WeakPolarHBondContact O-CA 3.01Å; S309-G312 PolarHBondContact O-N 3.12Å; S309-G312 WeakPolarHBondContact OG-CA 2.92Å; S309-G312 PolarHBondContact OG-N 2.89Å; S309-I313 WeakPolarHBondContact O-CG1 3.24Å; S309-I313 PolarHBondContact O-N 3.13Å
310D84.9Confident86Confident55 Ų5579.9 Ų79.929%0.29440%0.404SS..Hα-helixtrans-62.5-30.6177.4-74.317.2000110.7R307 R314 H391R307-D310 IonicContact CZ-OD1 2.96Å; R307-D310 IonicContact NH2-OD1 2.65Å; R307-D310 PolarHBondContact NH2-OD1 3.18Å; D310-R314 WeakPolarHBondContact O-CB 3.31Å; D310-R314 VanDerWaalsContact O-CG 3.29Å; D310-R314 WeakPolarHBondContact O-CG 3.24Å; D310-R314 PolarHBondContact O-N 2.9Å; D310-H391 IonicContact OD1-CD2 2.67Å
311E84.3Confident86.3Confident133 Ų13383.3 Ų83.362%0.62142%0.423SS*.Hα-helixtrans-64.5-46.1169.6-6566.8-145.400111.9S309 I313 R314 S315S309-E311 PolarHBondContact O-N 2.9Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 3.28Å; E311-R314 PolarHBondContact O-N 3.08Å; E311-S315 PolarHBondContact O-N 2.92Å
312G85.9Confident86.6Confident17 Ų1777.1 Ų77.118%0.17539%0.393CS..Hα-helixtrans-60.3-39.9175.500000112.2S309 S315S309-G312 WeakPolarHBondContact O-CA 3.01Å; S309-G312 PolarHBondContact O-N 3.12Å; S309-G312 WeakPolarHBondContact OG-CA 2.92Å; S309-G312 PolarHBondContact OG-N 2.89Å; G312-S315 WeakPolarHBondContact O-CB 3.38Å; G312-S315 PolarHBondContact O-N 2.89Å; G312-S315 PolarHBondContact O-OG 3.42Å
313I88.1Confident86.7Confident0 Ų080.5 Ų80.50%041%0.409CS..Hα-helixtrans-65.4-46.8173.9-62.8168.5000110.9E308 S309 E311 S315 M316 F319 H391 V401E308-I313 HydrophobicContact CB-CG1 4.22Å; E308-I313 HydrophobicContact CG-CG1 3.96Å; S309-I313 WeakPolarHBondContact O-CG1 3.24Å; S309-I313 PolarHBondContact O-N 3.13Å; E311-I313 VanDerWaalsContact C-N 3.31Å; E311-I313 PolarHBondContact O-N 3.28Å; I313-S315 VanDerWaalsContact C-N 3.27Å; I313-S315 PolarHBondContact O-N 3.27Å; I313-M316 WeakPolarHBondContact O-CB 3.28Å; I313-M316 WeakPolarHBondContact O-CG 3.11Å; I313-M316 PolarHBondContact O-N 3.05Å; I313-M316 VanDerWaalsContact O-N 3.16Å; I313-F319 HydrophobicContact CG2-CB 4.23Å; I313-H391 VanDerWaalsContact CD1-CE1 3.42Å; I313-H391 WeakPolarHBondContact CD1-CE1 3.38Å; I313-V401 HydrophobicContact CG2-CG2 3.76Å
314R87.8Confident86.7Confident121 Ų12183 Ų8346%0.45743%0.425SS..Hα-helixtrans-65.7-25.8177.6-73.5173.1-176.4168.86.8113.3D310 E311 M316 Q320D310-R314 WeakPolarHBondContact O-CB 3.31Å; D310-R314 VanDerWaalsContact O-CG 3.29Å; D310-R314 WeakPolarHBondContact O-CG 3.24Å; D310-R314 PolarHBondContact O-N 2.9Å; E311-R314 PolarHBondContact O-N 3.08Å; R314-M316 PolarHBondContact O-N 3.26Å; R314-Q320 WeakPolarHBondContact O-CA 3.39Å; R314-Q320 VanDerWaalsContact O-CG 3.27Å; R314-Q320 WeakPolarHBondContact O-CG 3.27Å
315S88.9Confident86.9Confident91 Ų9180.8 Ų80.864%0.63643%0.426SS*.Hα-helixtrans-61.4-27174.182.30000112.6E311 G312 I313 A317E311-S315 PolarHBondContact O-N 2.92Å; G312-S315 WeakPolarHBondContact O-CB 3.38Å; G312-S315 PolarHBondContact O-N 2.89Å; G312-S315 PolarHBondContact O-OG 3.42Å; I313-S315 VanDerWaalsContact C-N 3.27Å; I313-S315 PolarHBondContact O-N 3.27Å; S315-A317 PolarHBondContact O-N 2.86Å
316M87.5Confident87.1Confident55 Ų5580 Ų8027%0.27142%0.416SS..SBendtrans-69.5122.3178.6-54.6-172.278.300110.4I313 R314 R318 F319 Q320 P399I313-M316 WeakPolarHBondContact O-CB 3.28Å; I313-M316 WeakPolarHBondContact O-CG 3.11Å; I313-M316 PolarHBondContact O-N 3.05Å; I313-M316 VanDerWaalsContact O-N 3.16Å; R314-M316 PolarHBondContact O-N 3.26Å; M316-R318 PolarHBondContact O-N 3.46Å; M316-F319 HydrophobicContact CB-CB 4.47Å; M316-F319 HydrophobicContact CB-CD2 3.96Å; M316-F319 CarbonylContact O-C 3.54Å; M316-F319 PolarHBondContact O-N 3.29Å; M316-F319 HydrophobicContact SD-CD2 3.96Å; M316-F319 HydrophobicContact SD-CE2 4.35Å; M316-Q320 PolarHBondContact O-N 3.39Å; M316-P399 HydrophobicContact SD-CG 4.02Å
317A82.9Confident87.3Confident82 Ų8280.7 Ų80.768%0.67843%0.425SS*.THydrogen-bonded Turntrans-51.6-26-176.300000115.7S315S315-A317 PolarHBondContact O-N 2.86Å
318R86.6Confident87.4Confident210 Ų21077.8 Ų77.879%0.79242%0.416SS*.THydrogen-bonded Turntrans-84.6-10.5177.2-71-174.2-76.6-126.9-2.8114.7M316M316-R318 PolarHBondContact O-N 3.46Å
319F88.1Confident87.5Confident23 Ų2380 Ų8010%0.10143%0.425CS..THydrogen-bonded Turntrans-130.710.8-172.8-56.2-61.7000113.6I313 M316 N321 Y322 K334 N335 V401I313-F319 HydrophobicContact CG2-CB 4.23Å; M316-F319 HydrophobicContact CB-CB 4.47Å; M316-F319 HydrophobicContact CB-CD2 3.96Å; M316-F319 CarbonylContact O-C 3.54Å; M316-F319 PolarHBondContact O-N 3.29Å; M316-F319 HydrophobicContact SD-CD2 3.96Å; M316-F319 HydrophobicContact SD-CE2 4.35Å; F319-N321 PolarHBondContact O-N 2.89Å; F319-Y322 WeakPolarHBondContact O-CB 3.38Å; F319-Y322 PolarHBondContact O-N 3.42Å; F319-K334 HydrophobicContact CE1-CB 4.31Å; F319-K334 HydrophobicContact CE1-CD 4.36Å; F319-K334 HydrophobicContact CZ-CB 4.42Å; F319-N335 HydrophobicContact CE2-CB 3.82Å; F319-N335 HydrophobicContact CZ-CB 3.82Å; F319-V401 HydrophobicContact CD1-CB 4.31Å; F319-V401 HydrophobicContact CD1-CG1 3.91Å; F319-V401 HydrophobicContact CD1-CG2 4.09Å; F319-V401 HydrophobicContact CD2-CG2 3.86Å; F319-V401 HydrophobicContact CE1-CB 4.15Å; F319-V401 HydrophobicContact CE1-CG1 4.1Å; F319-V401 HydrophobicContact CE1-CG2 4.11Å; F319-V401 HydrophobicContact CE2-CG2 3.89Å; F319-V401 HydrophobicContact CG-CG1 4.42Å; F319-V401 HydrophobicContact CG-CG2 3.97Å; F319-V401 HydrophobicContact CZ-CB 4.37Å; F319-V401 HydrophobicContact CZ-CG2 4.03Å
320Q86.9Confident87.6Confident114 Ų11478.9 Ų78.953%0.53342%0.416SS..THydrogen-bonded Turntrans-50.5-41.4174.8-71.1174.7-8.100113R314 M316R314-Q320 WeakPolarHBondContact O-CA 3.39Å; R314-Q320 VanDerWaalsContact O-CG 3.27Å; R314-Q320 WeakPolarHBondContact O-CG 3.27Å; M316-Q320 PolarHBondContact O-N 3.39Å
321N87.4Confident88.1Confident153 Ų15376.2 Ų76.282%0.81840%0.402SS*.THydrogen-bonded Turntrans-98.228.2178.6-61.5-44.7000112.8F319 Q323F319-N321 PolarHBondContact O-N 2.89Å; N321-Q323 PolarHBondContact O-N 3.37Å
322Y88.1Confident88.5Confident18 Ų1870.4 Ų70.47%0.07138%0.375CS..  trans-61.2130.6177.9162.8-102.4000111.3F319 P324 H391 V401 V402 E403F319-Y322 WeakPolarHBondContact O-CB 3.38Å; F319-Y322 PolarHBondContact O-N 3.42Å; Y322-P324 HydrophobicContact CE1-CG 4.27Å; Y322-H391 AromaticContact CD1-NE2 3.98Å; Y322-H391 AromaticContact CE1-CE1 3.53Å; Y322-H391 AromaticContact CE1-NE2 3.1Å; Y322-H391 WeakPolarHBondContact CE1-NE2 3.47Å; Y322-H391 AromaticContact CE2-CE1 3.94Å; Y322-H391 AromaticContact CZ-CE1 3.32Å; Y322-H391 AromaticContact CZ-NE2 3.3Å; Y322-H391 VanDerWaalsContact CZ-NE2 3.3Å; Y322-H391 PolarHBondContact OH-CE1 2.93Å; Y322-H391 VanDerWaalsContact OH-CE1 3.27Å; Y322-H391 PolarHBondContact OH-NE2 2.98Å; Y322-V401 HydrophobicContact CD2-CG1 3.47Å; Y322-V401 VanDerWaalsContact CD2-CG1 3.47Å; Y322-V401 HydrophobicContact CE2-CG1 3.66Å; Y322-V401 HydrophobicContact CG-CG1 4.24Å; Y322-V402 PolarHBondContact OH-O 2.86Å; Y322-E403 HydrophobicContact CD2-CG 3.92Å; Y322-E403 HydrophobicContact CE2-CG 3.57Å
323Q85.6Confident88.8Confident150 Ų15069.6 Ų69.670%0.70137%0.367SS*.  trans-136.1132.6172.8-65.5-176.5-5.800108.1N321 G325N321-Q323 PolarHBondContact O-N 3.37Å; Q323-G325 PolarHBondContact O-N 2.95Å; Q323-G325 VanDerWaalsContact O-N 3.13Å
324P84.6Confident89Confident53 Ų5372 Ų7234%0.34438%0.378SS..  trans-57-27.9178.1-27.634.8000114.1Y322 L387 F404Y322-P324 HydrophobicContact CE1-CG 4.27Å; P324-L387 HydrophobicContact CB-CD1 4.17Å; P324-L387 HydrophobicContact CB-CD2 4.38Å; P324-F404 HydrophobicContact CB-CD2 4.3Å; P324-F404 HydrophobicContact CB-CE2 4.39Å; P324-F404 WeakPolarHBondContact O-CB 3.4Å; P324-F404 VanDerWaalsContact O-CD2 3.28Å; P324-F404 WeakPolarHBondContact O-CD2 3.3Å; P324-F404 PolarHBondContact O-N 2.88Å
325G88.6Confident89.2Confident51 Ų5167 Ų6753%0.52636%0.36SS..  trans88.3-169.6-177.100000113.6Q323Q323-G325 PolarHBondContact O-N 2.95Å; Q323-G325 VanDerWaalsContact O-N 3.13Å
326K89.3Confident89.4Confident117 Ų11762.9 Ų62.951%0.50933%0.33SS..SBendtrans-73.9140.3174.2-73.5-178.4167.4-172.70110.2S328 F404 E410K326-S328 PolarHBondContact O-N 3.32Å; K326-F404 WeakPolarHBondContact O-CB 3.41Å; K326-F404 WeakPolarHBondContact O-CD2 3.43Å; K326-F404 WeakPolarHBondContact O-CG 3.47Å; K326-E410 WeakPolarHBondContact CD-OE1 3.28Å; K326-E410 IonicContact NZ-OE1 2.89Å; K326-E410 PolarHBondContact NZ-OE1 3.3Å; K326-E410 IonicContact NZ-OE2 3.91Å; K326-E410 PolarHBondContact NZ-OE2 3.08Å
327P91Very high89.4Confident89 Ų8961.1 Ų61.158%0.57832%0.324SS*.  trans-57134.2176.625.5-34.3000111.5F404P327-F404 HydrophobicContact CB-CE1 4.49Å; P327-F404 HydrophobicContact CB-CE2 4.34Å; P327-F404 HydrophobicContact CB-CZ 4.19Å
328S91.8Very high89.4Confident14 Ų1460.1 Ų60.110%0.09832%0.315CS..  trans-151.9150.5-174.4178.90000109.3K326 V330 A383 F404 G405K326-S328 PolarHBondContact O-N 3.32Å; S328-V330 PolarHBondContact O-N 2.75Å; S328-V330 PolarHBondContact OG-N 2.86Å; S328-A383 WeakPolarHBondContact O-CB 3.44Å; S328-F404 VanDerWaalsContact N-CD1 3.34Å; S328-F404 WeakPolarHBondContact O-CD1 3.43Å; S328-G405 WeakPolarHBondContact CB-O 3.49Å; S328-G405 PolarHBondContact OG-O 2.91Å
329K90.6Very high89.3Confident82 Ų8258 Ų5836%0.35732%0.315SS..SBendtrans-67.8-16.9174.369.2-166.4174-1540113.1T376 L377 T380 E407K329-T376 HydrophobicContact CG-CG2 4.46Å; K329-L377 PolarHBondContact O-N 3.13Å; K329-T380 HydrophobicContact CB-CG2 4.31Å; K329-E407 VanDerWaalsContact CE-OE1 3.25Å; K329-E407 WeakPolarHBondContact CE-OE1 3.38Å; K329-E407 IonicContact NZ-OE1 3.43Å; K329-E407 PolarHBondContact NZ-OE1 3.38Å
330V91.8Very high89.1Confident28 Ų2857.5 Ų57.517%0.1732%0.315CS..EExtended strand (participates in β ladder)trans-99.5133.1177.4-174.70000109.3S328 F374 I375 T376 G405S328-V330 PolarHBondContact O-N 2.75Å; S328-V330 PolarHBondContact OG-N 2.86Å; V330-F374 HydrophobicContact CG1-CB 4.43Å; V330-F374 HydrophobicContact CG1-CD1 4.14Å; V330-I375 CarbonylContact C-O 2.75Å; V330-I375 WeakPolarHBondContact CA-O 3.41Å; V330-T376 HydrophobicContact CG2-CG2 4.2Å; V330-G405 PolarHBondContact O-N 3.3Å
331L93.8Very high89Confident0 Ų054.8 Ų54.80%031%0.308CS..EExtended strand (participates in β ladder)trans-108.6140.7169.8-61.9-179.5000110.6F349 F374 I375 L377 A383 A386 L387 V402 E403 F404L331-F349 HydrophobicContact CD1-CE1 3.92Å; L331-F374 CarbonylContact O-C 3.53Å; L331-F374 VanDerWaalsContact O-CA 3.27Å; L331-F374 WeakPolarHBondContact O-CA 3.38Å; L331-I375 PolarHBondContact N-O 3.14Å; L331-I375 PolarHBondContact O-N 3.45Å; L331-L377 HydrophobicContact CD1-CD1 3.65Å; L331-L377 HydrophobicContact CG-CD1 4.23Å; L331-A383 HydrophobicContact CD2-CB 4.18Å; L331-A383 HydrophobicContact CG-CB 4.23Å; L331-A386 HydrophobicContact CD1-CB 3.94Å; L331-L387 HydrophobicContact CD2-CB 4.17Å; L331-L387 HydrophobicContact CD2-CD1 4.12Å; L331-V402 HydrophobicContact CB-CG1 4.18Å; L331-V402 HydrophobicContact CD1-CG1 4.08Å; L331-V402 HydrophobicContact CD2-CG1 4.27Å; L331-V402 HydrophobicContact CG-CG1 4.42Å; L331-E403 CarbonylContact C-O 3.59Å; L331-E403 WeakPolarHBondContact CA-O 3.41Å; L331-F404 HydrophobicContact CD2-CD1 3.58Å; L331-F404 HydrophobicContact CD2-CE1 3.86Å; L331-F404 HydrophobicContact CD2-CG 4.45Å
332C92.8Very high89Confident10 Ų1050.7 Ų50.77%0.06829%0.286CS..EExtended strand (participates in β ladder)trans-106.5109.4171.3-1740000108.7A373 F374 E403C332-A373 CarbonylContact C-O 3.6Å; C332-A373 WeakPolarHBondContact CA-O 3.46Å; C332-F374 HydrophobicContact CB-CD1 3.91Å; C332-F374 HydrophobicContact CB-CE1 3.68Å; C332-F374 VanDerWaalsContact SG-CE1 3.56Å; C332-E403 HydrophobicContact CB-CB 4.49Å; C332-E403 PolarHBondContact N-O 3.09Å; C332-E403 PolarHBondContact O-N 2.93Å
333V93.1Very high88.8Confident0 Ų051.6 Ų51.60%030%0.297CS..EExtended strand (participates in β ladder)trans-93.6120.3176.9-173.40000108.7L336 F349 Q372 A373 I375 L400 V402V333-L336 HydrophobicContact CB-CD1 4.32Å; V333-L336 HydrophobicContact CG1-CD1 4.04Å; V333-L336 HydrophobicContact CG1-CD2 4.16Å; V333-L336 HydrophobicContact CG1-CG 4Å; V333-F349 HydrophobicContact CG2-CE2 4.35Å; V333-F349 HydrophobicContact CG2-CZ 4.11Å; V333-Q372 CarbonylContact O-C 3.55Å; V333-Q372 VanDerWaalsContact O-CA 3.25Å; V333-Q372 WeakPolarHBondContact O-CA 3.34Å; V333-A373 HydrophobicContact CB-CB 4.45Å; V333-A373 PolarHBondContact N-O 3.39Å; V333-A373 PolarHBondContact O-N 3.32Å; V333-I375 HydrophobicContact CG2-CD1 3.78Å; V333-I375 HydrophobicContact CG2-CG1 4.29Å; V333-L400 HydrophobicContact CG1-CB 4.29Å; V333-L400 HydrophobicContact CG1-CD1 4.26Å; V333-L400 HydrophobicContact CG1-CD2 4.15Å; V333-L400 HydrophobicContact CG1-CG 4.46Å; V333-V402 HydrophobicContact CG1-CG2 4.47Å; V333-V402 HydrophobicContact CG2-CG2 4.39Å
334K92.4Very high88.9Confident52 Ų5248.2 Ų48.223%0.22628%0.281CS..EExtended strand (participates in β ladder)trans-115.2168.9-179.8-58.7179.5-172.3172.70110.6F319 L336 V401 E403F319-K334 HydrophobicContact CE1-CB 4.31Å; F319-K334 HydrophobicContact CE1-CD 4.36Å; F319-K334 HydrophobicContact CZ-CB 4.42Å; K334-L336 PolarHBondContact O-N 3.35Å; K334-V401 HydrophobicContact CB-CB 4.27Å; K334-V401 PolarHBondContact N-O 2.92Å; K334-V401 PolarHBondContact O-N 3.31Å; K334-V401 VanDerWaalsContact O-N 3.09Å; K334-E403 WeakPolarHBondContact CE-OE1 3.43Å; K334-E403 WeakPolarHBondContact CE-OE2 3.43Å; K334-E403 IonicContact NZ-OE1 3.32Å; K334-E403 PolarHBondContact NZ-OE1 3.25Å; K334-E403 IonicContact NZ-OE2 3.38Å; K334-E403 PolarHBondContact NZ-OE2 3.02Å
335N92.5Very high89Confident16 Ų1645.8 Ų45.89%0.08627%0.265CS..SBendtrans64.318.4-179.2-16035.3000115.3F319 G371 K398 P399 V401F319-N335 HydrophobicContact CE2-CB 3.82Å; F319-N335 HydrophobicContact CZ-CB 3.82Å; N335-G371 PolarHBondContact N-O 2.93Å; N335-K398 PolarHBondContact O-NZ 3.29Å; N335-K398 WeakPolarHBondContact OD1-CE 3.24Å; N335-K398 PolarHBondContact OD1-NZ 3.12Å; N335-P399 WeakPolarHBondContact CB-O 3.22Å; N335-P399 PolarHBondContact ND2-O 3.17Å; N335-V401 HydrophobicContact CB-CG2 4.26Å
336L91.6Very high89Confident3 Ų344.4 Ų44.42%0.01625%0.246CC..  trans-56.9152.4173.7-71155.8000111.3V333 K334 A340 L345 L364 G371 A373 L395 K398 L400V333-L336 HydrophobicContact CB-CD1 4.32Å; V333-L336 HydrophobicContact CG1-CD1 4.04Å; V333-L336 HydrophobicContact CG1-CD2 4.16Å; V333-L336 HydrophobicContact CG1-CG 4Å; K334-L336 PolarHBondContact O-N 3.35Å; L336-A340 HydrophobicContact CB-CB 4.44Å; L336-A340 HydrophobicContact CD2-CB 4.27Å; L336-L345 HydrophobicContact CD1-CD1 4.48Å; L336-L345 HydrophobicContact CD2-CD2 3.83Å; L336-L364 HydrophobicContact CD1-CD1 4.11Å; L336-G371 PolarHBondContact N-O 2.89Å; L336-A373 HydrophobicContact CD1-CB 3.7Å; L336-L395 HydrophobicContact CD2-CD2 3.94Å; L336-K398 PolarHBondContact O-NZ 3.32Å; L336-L400 HydrophobicContact CD2-CD2 3.41Å; L336-L400 VanDerWaalsContact CD2-CD2 3.41Å; L336-L400 HydrophobicContact CG-CD2 3.95Å
337S87.8Confident88.8Confident19 Ų1939.2 Ų39.213%0.13323%0.225CC..  trans-67.4147.9170.1178.90000110.6Q339 A340S337-Q339 PolarHBondContact O-N 3.03Å; S337-Q339 PolarHBondContact OG-N 2.83Å; S337-A340 WeakPolarHBondContact O-CB 3.43Å; S337-A340 PolarHBondContact O-N 3.34Å
338A83.9Confident88.7Confident60 Ų6035 Ų3550%0.49620%0.198SC..THydrogen-bonded Turntrans-67.4-9.8172.700000113K370A338-K370 HydrophobicContact CB-CD 4.22Å; A338-K370 WeakPolarHBondContact O-CE 3.32Å; A338-K370 PolarHBondContact O-NZ 3.49Å
339Q83.5Confident88.5Confident167 Ų16734.4 Ų34.478%0.7819%0.193SC*.THydrogen-bonded Turntrans-102.3-2.2173.1-66.5174.2-18.300113.1S337 S341 L396S337-Q339 PolarHBondContact O-N 3.03Å; S337-Q339 PolarHBondContact OG-N 2.83Å; Q339-S341 PolarHBondContact O-N 2.92Å; Q339-L396 HydrophobicContact CB-CD1 4.25Å
340A83.9Confident88.3Confident12 Ų1231.7 Ų31.710%0.09919%0.185CC..  trans-67.1129.3-179.300000111.2L336 S337 L395 L396L336-A340 HydrophobicContact CB-CB 4.44Å; L336-A340 HydrophobicContact CD2-CB 4.27Å; S337-A340 WeakPolarHBondContact O-CB 3.43Å; S337-A340 PolarHBondContact O-N 3.34Å; A340-L395 HydrophobicContact CB-CD2 4.16Å; A340-L396 HydrophobicContact CB-CD1 4.44Å
341S85.6Confident87.8Confident56 Ų5633.4 Ų33.439%0.39219%0.189SC..  trans-98.2163.117767.20000111.7Q339 A343 Q344Q339-S341 PolarHBondContact O-N 2.92Å; S341-A343 VanDerWaalsContact C-N 3.28Å; S341-A343 PolarHBondContact O-N 3.13Å; S341-Q344 PolarHBondContact O-N 3.33Å
342I86.1Confident87.4Confident68 Ų6834.8 Ų34.835%0.34919%0.194SC..Hα-helixtrans-61.9-37.6177.1-62.2174000110.8V291 Q344 L345 V346 L364V291-I342 HydrophobicContact CG2-CB 4.43Å; V291-I342 HydrophobicContact CG2-CG2 3.99Å; I342-Q344 PolarHBondContact O-N 3.33Å; I342-L345 WeakPolarHBondContact O-CA 3.33Å; I342-L345 WeakPolarHBondContact O-CB 3.32Å; I342-L345 PolarHBondContact O-N 2.99Å; I342-V346 HydrophobicContact CG2-CG2 4.11Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.29Å; I342-L364 HydrophobicContact CD1-CB 4.29Å; I342-L364 HydrophobicContact CG1-CB 3.9Å; I342-L364 HydrophobicContact CG1-CD2 3.87Å
343A84.8Confident87Confident37 Ų3738 Ų3831%0.30621%0.208SC..Hα-helixtrans-54.7-36.1178.100000113.4V291 S341 V346 A347V291-A343 HydrophobicContact CG1-CB 3.93Å; S341-A343 VanDerWaalsContact C-N 3.28Å; S341-A343 PolarHBondContact O-N 3.13Å; A343-V346 PolarHBondContact O-N 2.81Å; A343-A347 PolarHBondContact O-N 3.32Å
344Q86.6Confident86.2Confident79 Ų7941.9 Ų41.937%0.36923%0.227SC..Hα-helixtrans-70.8-32.3176.5-64.9-65.2-23.100112.7S341 I342 L348 L395S341-Q344 PolarHBondContact O-N 3.33Å; I342-Q344 PolarHBondContact O-N 3.33Å; Q344-L348 WeakPolarHBondContact O-CG 3.32Å; Q344-L348 PolarHBondContact O-N 3.32Å; Q344-L395 HydrophobicContact CB-CD1 4.02Å; Q344-L395 HydrophobicContact CB-CD2 4.15Å; Q344-L395 HydrophobicContact CG-CD1 4.41Å
345L88.3Confident85.2Confident2 Ų247.7 Ų47.71%0.0125%0.252CS..Hα-helixtrans-70.9-40.7171.3-67.3174.5000111L336 I342 A347 L348 F349 Y362 L364 A373L336-L345 HydrophobicContact CD1-CD1 4.48Å; L336-L345 HydrophobicContact CD2-CD2 3.83Å; I342-L345 WeakPolarHBondContact O-CA 3.33Å; I342-L345 WeakPolarHBondContact O-CB 3.32Å; I342-L345 PolarHBondContact O-N 2.99Å; L345-A347 PolarHBondContact O-N 3.45Å; L345-L348 PolarHBondContact O-N 2.89Å; L345-F349 WeakPolarHBondContact O-CD2 3.5Å; L345-F349 PolarHBondContact O-N 3.1Å; L345-Y362 HydrophobicContact CB-CD1 4.13Å; L345-Y362 HydrophobicContact CB-CE1 4.35Å; L345-L364 HydrophobicContact CD1-CD1 4.31Å; L345-A373 HydrophobicContact CD1-CB 3.77Å
346V87.4Confident84.3Confident21 Ų2155 Ų5513%0.12729%0.291CS..Hα-helixtrans-61.8-43.9175.8-178.40000110.6I295 I342 A343 L348 F349 S350 Y362I295-V346 HydrophobicContact CD1-CB 4.01Å; I295-V346 HydrophobicContact CD1-CG1 3.48Å; I295-V346 VanDerWaalsContact CD1-CG1 3.48Å; I342-V346 HydrophobicContact CG2-CG2 4.11Å; I342-V346 WeakPolarHBondContact O-CG2 3.4Å; I342-V346 PolarHBondContact O-N 3.29Å; A343-V346 PolarHBondContact O-N 2.81Å; V346-L348 PolarHBondContact O-N 3.29Å; V346-F349 PolarHBondContact O-N 2.89Å; V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.2Å; V346-S350 PolarHBondContact O-OG 3.13Å; V346-S350 VanDerWaalsContact O-OG 3.08Å; V346-Y362 HydrophobicContact CG2-CD1 4.33Å; V346-Y362 HydrophobicContact CG2-CD2 4.03Å; V346-Y362 HydrophobicContact CG2-CE1 4.18Å; V346-Y362 HydrophobicContact CG2-CE2 3.9Å; V346-Y362 HydrophobicContact CG2-CG 4.25Å
347A86.6Confident83.4Confident9 Ų956 Ų567%0.07430%0.302CS..Hα-helixtrans-59-28.9176.400000114.4I295 A343 L345 R351I295-A347 HydrophobicContact CG2-CB 3.81Å; A343-A347 PolarHBondContact O-N 3.32Å; L345-A347 PolarHBondContact O-N 3.45Å; A347-R351 PolarHBondContact O-NH2 3.06Å
348L88.1Confident83Confident1 Ų159 Ų591%0.00532%0.321CS..Hα-helixtrans-80.9-45176.2-71.8168.6000112.1L298 I303 Q344 L345 V346 R351 V390 Y393 L400L298-L348 HydrophobicContact CD1-CD2 3.81Å; L298-L348 HydrophobicContact CD1-CG 4.39Å; I303-L348 HydrophobicContact CD1-CD2 3.57Å; I303-L348 HydrophobicContact CG1-CD2 4.1Å; Q344-L348 WeakPolarHBondContact O-CG 3.32Å; Q344-L348 PolarHBondContact O-N 3.32Å; L345-L348 PolarHBondContact O-N 2.89Å; V346-L348 PolarHBondContact O-N 3.29Å; L348-R351 PolarHBondContact O-NE 3.23Å; L348-R351 PolarHBondContact O-NH2 2.68Å; L348-R351 VanDerWaalsContact O-NH2 3.15Å; L348-V390 HydrophobicContact CB-CG1 4.44Å; L348-V390 HydrophobicContact CD1-CG1 4.31Å; L348-Y393 HydrophobicContact CD1-CD1 3.85Å; L348-Y393 HydrophobicContact CD1-CE1 4Å; L348-Y393 HydrophobicContact CD2-CD1 3.71Å; L348-Y393 HydrophobicContact CD2-CD2 4.5Å; L348-Y393 HydrophobicContact CD2-CE1 3.64Å; L348-Y393 HydrophobicContact CD2-CE2 4.42Å; L348-Y393 HydrophobicContact CD2-CG 4.15Å; L348-Y393 HydrophobicContact CG-CD1 4.44Å; L348-Y393 HydrophobicContact CG-CE1 4.35Å; L348-L400 HydrophobicContact CD1-CD1 3.82Å
349F88.3Confident82.9Confident0 Ų059.3 Ų59.30%032%0.318CS..Hα-helixtrans-102.4-11.2-167.7-70.6-91.9000115.3L331 V333 L345 V346 R351 F352 Y362 I375 A386 V390L331-F349 HydrophobicContact CD1-CE1 3.92Å; V333-F349 HydrophobicContact CG2-CE2 4.35Å; V333-F349 HydrophobicContact CG2-CZ 4.11Å; L345-F349 WeakPolarHBondContact O-CD2 3.5Å; L345-F349 PolarHBondContact O-N 3.1Å; V346-F349 PolarHBondContact O-N 2.89Å; F349-R351 PolarHBondContact O-N 2.99Å; F349-R351 VanDerWaalsContact O-N 3.16Å; F349-F352 HydrophobicContact CB-CD2 4.46Å; F349-F352 HydrophobicContact CD1-CD2 4.09Å; F349-F352 HydrophobicContact CD1-CE2 4.4Å; F349-F352 WeakPolarHBondContact O-CB 3.23Å; F349-F352 PolarHBondContact O-N 3.43Å; F349-Y362 HydrophobicContact CB-CE1 3.87Å; F349-Y362 WeakPolarHBondContact CB-OH 3.46Å; F349-I375 HydrophobicContact CD1-CD1 4.11Å; F349-I375 HydrophobicContact CD1-CG2 4.4Å; F349-I375 HydrophobicContact CD2-CD1 3.37Å; F349-I375 HydrophobicContact CE1-CD1 4.07Å; F349-I375 HydrophobicContact CE2-CD1 3.32Å; F349-I375 HydrophobicContact CG-CD1 3.78Å; F349-I375 HydrophobicContact CG-CG2 4.46Å; F349-I375 HydrophobicContact CZ-CD1 3.69Å; F349-A386 HydrophobicContact CD1-CB 4.1Å; F349-A386 HydrophobicContact CE1-CB 4.03Å; F349-V390 HydrophobicContact CE1-CB 4.28Å; F349-V390 HydrophobicContact CE1-CG1 4.44Å; F349-V390 HydrophobicContact CE1-CG2 4.1Å; F349-V390 HydrophobicContact CE2-CB 4.47Å; F349-V390 HydrophobicContact CE2-CG1 3.78Å; F349-V390 HydrophobicContact CE2-CG2 4.49Å; F349-V390 HydrophobicContact CZ-CB 3.91Å; F349-V390 HydrophobicContact CZ-CG1 3.63Å; F349-V390 HydrophobicContact CZ-CG2 4.09Å
350S84.5Confident83Confident26 Ų2651.9 Ų51.918%0.18228%0.284CS..G310 helixtrans-59.2-26.5177.260.60000113.5V346 F352 E353 Y362V346-S350 WeakPolarHBondContact O-CB 3.44Å; V346-S350 PolarHBondContact O-N 3.2Å; V346-S350 PolarHBondContact O-OG 3.13Å; V346-S350 VanDerWaalsContact O-OG 3.08Å; S350-F352 PolarHBondContact O-N 3.45Å; S350-F352 VanDerWaalsContact O-N 3.09Å; S350-E353 VanDerWaalsContact O-CB 3.24Å; S350-E353 WeakPolarHBondContact O-CB 3.35Å; S350-E353 PolarHBondContact O-N 2.81Å; S350-Y362 PolarHBondContact N-OH 3.47Å
351R83.2Confident83.2Confident64 Ų6454.4 Ų54.424%0.24230%0.298CS..G310 helixtrans-58.3-22173.486.9-172.275.5-123.9-27.3113.8L298 D300 I303 A347 L348 F349L298-R351 PolarHBondContact O-NH1 2.9Å; L298-R351 PolarHBondContact O-NH2 2.82Å; D300-R351 IonicContact OD1-CZ 3.35Å; D300-R351 IonicContact OD1-NH1 3.55Å; D300-R351 PolarHBondContact OD1-NH1 3.43Å; I303-R351 VanDerWaalsContact CD1-CZ 3.43Å; I303-R351 VanDerWaalsContact CD1-NH2 3.26Å; A347-R351 PolarHBondContact O-NH2 3.06Å; L348-R351 PolarHBondContact O-NE 3.23Å; L348-R351 PolarHBondContact O-NH2 2.68Å; L348-R351 VanDerWaalsContact O-NH2 3.15Å; F349-R351 PolarHBondContact O-N 2.99Å; F349-R351 VanDerWaalsContact O-N 3.16Å
352F85.1Confident83.3Confident28 Ų2853.9 Ų53.912%0.12329%0.288CS..G310 helixtrans-96.83.3-177.6-59.4-63.3000112.7F349 S350 L377 T382 A386 L389 V390F349-F352 HydrophobicContact CB-CD2 4.46Å; F349-F352 HydrophobicContact CD1-CD2 4.09Å; F349-F352 HydrophobicContact CD1-CE2 4.4Å; F349-F352 WeakPolarHBondContact O-CB 3.23Å; F349-F352 PolarHBondContact O-N 3.43Å; S350-F352 PolarHBondContact O-N 3.45Å; S350-F352 VanDerWaalsContact O-N 3.09Å; F352-L377 HydrophobicContact CB-CD2 3.83Å; F352-T382 HydrophobicContact CB-CG2 3.66Å; F352-T382 HydrophobicContact CD1-CG2 4.35Å; F352-T382 HydrophobicContact CG-CG2 4.35Å; F352-T382 WeakPolarHBondContact O-CG2 3.33Å; F352-A386 HydrophobicContact CD1-CB 4.17Å; F352-A386 HydrophobicContact CD2-CB 3.5Å; F352-A386 HydrophobicContact CE1-CB 4.16Å; F352-A386 HydrophobicContact CE2-CB 3.5Å; F352-A386 VanDerWaalsContact CE2-CB 3.5Å; F352-A386 HydrophobicContact CG-CB 3.88Å; F352-A386 VanDerWaalsContact CZ-CA 3.44Å; F352-A386 HydrophobicContact CZ-CB 3.84Å; F352-L389 HydrophobicContact CZ-CB 4.18Å; F352-L389 HydrophobicContact CZ-CD2 4.16Å; F352-V390 HydrophobicContact CE2-CG2 4.03Å
353E83.1Confident83.4Confident77 Ų7758.2 Ų58.236%0.3630%0.299SS..  trans-79.4126172.7-164.5147.7-130.400109.6S350 P359 V360S350-E353 VanDerWaalsContact O-CB 3.24Å; S350-E353 WeakPolarHBondContact O-CB 3.35Å; S350-E353 PolarHBondContact O-N 2.81Å; E353-P359 VanDerWaalsContact OE1-CA 3.29Å; E353-P359 WeakPolarHBondContact OE1-CA 3.46Å; E353-P359 WeakPolarHBondContact OE1-CB 3.49Å; E353-V360 HydrophobicContact CB-CG2 3.91Å; E353-V360 HydrophobicContact CG-CG2 4.11Å; E353-V360 PolarHBondContact OE1-N 3.12Å
354Q76.7Confident83.6Confident82 Ų8258.8 Ų58.838%0.38330%0.297SS..  trans-86.7136.1175.9-66.5170.513.900108.9D356 G357 D379Q354-D356 PolarHBondContact O-N 3.1Å; Q354-G357 PolarHBondContact O-N 3.14Å; Q354-G357 VanDerWaalsContact O-N 3.09Å; Q354-D379 PolarHBondContact NE2-OD2 2.83Å
355K70.9Confident83.5Confident174 Ų17456.2 Ų56.276%0.75729%0.286SS*.THydrogen-bonded Turntrans-56.4-34.7-178.8-70.8-163.9165.1-136.40114E266E266-K355 IonicContact OE2-NZ 3.55Å; E266-K355 PolarHBondContact OE2-NZ 2.88Å
356D75.3Confident83.2Confident171 Ų17161.2 Ų61.291%0.91432%0.316SS*.THydrogen-bonded Turntrans-107.38.3-179.4-54.8-65.1000113.1Q354Q354-D356 PolarHBondContact O-N 3.1Å
357G72.9Confident83Confident23 Ų2363.1 Ų63.124%0.23734%0.34CS..SBendtrans-100.6172.5-173.300000114.4Q354Q354-G357 PolarHBondContact O-N 3.14Å; Q354-G357 VanDerWaalsContact O-N 3.09Å
358P78.9Confident82.6Confident83 Ų8375 Ų7554%0.53938%0.383SS..PPolyproline II helixtrans-67139172.926.7-30.8000110.8P378P358-P378 HydrophobicContact CG-CB 3.81Å
359P81.2Confident82.3Confident66 Ų6679.6 Ų79.643%0.42941%0.406SS..PPolyproline II helixtrans-69.2153.6-171.328.1-36.2000112.8L270 E353 V361L270-P359 HydrophobicContact CD1-CB 4.32Å; L270-P359 HydrophobicContact CD1-CG 4.2Å; E353-P359 VanDerWaalsContact OE1-CA 3.29Å; E353-P359 WeakPolarHBondContact OE1-CA 3.46Å; E353-P359 WeakPolarHBondContact OE1-CB 3.49Å; P359-V361 PolarHBondContact O-N 3.33Å
360V86.1Confident82.2Confident11 Ų1185.7 Ų85.77%0.06743%0.433CS..PPolyproline II helixtrans-74.8121.5-179-175.50000110.4E353 Y362 I375 T376 L377E353-V360 HydrophobicContact CB-CG2 3.91Å; E353-V360 HydrophobicContact CG-CG2 4.11Å; E353-V360 PolarHBondContact OE1-N 3.12Å; V360-Y362 HydrophobicContact CB-CE2 3.76Å; V360-Y362 HydrophobicContact CG1-CD2 4.33Å; V360-Y362 HydrophobicContact CG1-CE1 4.16Å; V360-Y362 HydrophobicContact CG1-CE2 3.64Å; V360-Y362 WeakPolarHBondContact O-CD2 3.47Å; V360-Y362 VanDerWaalsContact O-CE2 3.27Å; V360-Y362 WeakPolarHBondContact O-CE2 3.4Å; V360-I375 HydrophobicContact CG1-CG2 3.57Å; V360-T376 WeakPolarHBondContact CA-O 3.32Å; V360-L377 HydrophobicContact CB-CD2 4.42Å; V360-L377 HydrophobicContact CG1-CD2 3.72Å; V360-L377 HydrophobicContact CG1-CG 4.4Å; V360-L377 HydrophobicContact CG2-CD2 3.78Å
361V86.9Confident82.3Confident64 Ų6485 Ų8539%0.38843%0.429SS..EExtended strand (participates in β ladder)trans-95.7116.9-176.4-172.60000111P359 I375 T376P359-V361 PolarHBondContact O-N 3.33Å; V361-I375 CarbonylContact O-C 3.29Å; V361-I375 WeakPolarHBondContact O-CA 3.46Å; V361-T376 PolarHBondContact N-O 2.69Å; V361-T376 PolarHBondContact O-N 3.35Å
362Y87.8Confident82.7Confident46 Ų4684.8 Ų84.818%0.1843%0.431CS..EExtended strand (participates in β ladder)trans-101.3128.1-178.8-61-92.4000112.3L345 V346 F349 S350 V360 I375L345-Y362 HydrophobicContact CB-CD1 4.13Å; L345-Y362 HydrophobicContact CB-CE1 4.35Å; V346-Y362 HydrophobicContact CG2-CD1 4.33Å; V346-Y362 HydrophobicContact CG2-CD2 4.03Å; V346-Y362 HydrophobicContact CG2-CE1 4.18Å; V346-Y362 HydrophobicContact CG2-CE2 3.9Å; V346-Y362 HydrophobicContact CG2-CG 4.25Å; F349-Y362 HydrophobicContact CB-CE1 3.87Å; F349-Y362 WeakPolarHBondContact CB-OH 3.46Å; S350-Y362 PolarHBondContact N-OH 3.47Å; V360-Y362 HydrophobicContact CB-CE2 3.76Å; V360-Y362 HydrophobicContact CG1-CD2 4.33Å; V360-Y362 HydrophobicContact CG1-CE1 4.16Å; V360-Y362 HydrophobicContact CG1-CE2 3.64Å; V360-Y362 WeakPolarHBondContact O-CD2 3.47Å; V360-Y362 VanDerWaalsContact O-CE2 3.27Å; V360-Y362 WeakPolarHBondContact O-CE2 3.4Å; Y362-I375 HydrophobicContact CD1-CD1 4.19Å; Y362-I375 HydrophobicContact CD1-CG1 4.13Å; Y362-I375 HydrophobicContact CD1-CG2 4.24Å; Y362-I375 HydrophobicContact CE1-CD1 4.24Å; Y362-I375 HydrophobicContact CE1-CG2 4.12Å
363R88.1Confident83.1Confident158 Ų15883.4 Ų83.460%0.59643%0.425SS*.EExtended strand (participates in β ladder)trans-132.689.7178.6-175-178-178.11666.1111.6L365 A373 F374R363-L365 HydrophobicContact CG-CD2 4.34Å; R363-A373 CarbonylContact O-C 2.76Å; R363-A373 VanDerWaalsContact O-CA 3.25Å; R363-A373 WeakPolarHBondContact O-CA 3.27Å; R363-F374 HydrophobicContact CB-CB 4.31Å; R363-F374 PolarHBondContact N-O 3.37Å; R363-F374 PolarHBondContact O-N 3.1Å
364L89Confident83.5Confident49 Ų4982.9 Ų82.926%0.25742%0.421SS..EExtended strand (participates in β ladder)trans-74.6130.8172.6-175.363.9000110.8L336 I342 L345 A373L336-L364 HydrophobicContact CD1-CD1 4.11Å; I342-L364 HydrophobicContact CD1-CB 4.29Å; I342-L364 HydrophobicContact CG1-CB 3.9Å; I342-L364 HydrophobicContact CG1-CD2 3.87Å; L345-L364 HydrophobicContact CD1-CD1 4.31Å; L364-A373 HydrophobicContact CD1-CB 4.05Å
365L85.9Confident84.2Confident26 Ų2679 Ų7914%0.13640%0.403CS..  trans-89143.7179-55.5-172.3000111.9R363 M369 Q372 F374R363-L365 HydrophobicContact CG-CD2 4.34Å; L365-M369 HydrophobicContact CB-CB 4.14Å; L365-M369 HydrophobicContact CD1-CB 4.07Å; L365-M369 HydrophobicContact CD1-CE 3.78Å; L365-M369 HydrophobicContact CD1-SD 4.35Å; L365-Q372 HydrophobicContact CB-CB 4.43Å; L365-Q372 WeakPolarHBondContact CB-O 3.37Å; L365-Q372 HydrophobicContact CD1-CB 3.95Å; L365-Q372 HydrophobicContact CG-CB 4.38Å; L365-Q372 PolarHBondContact N-O 2.94Å; L365-F374 HydrophobicContact CD1-CD2 4.35Å; L365-F374 HydrophobicContact CD1-CE2 3.92Å; L365-F374 HydrophobicContact CD2-CD2 4.25Å; L365-F374 HydrophobicContact CD2-CE2 4.42Å; L365-F374 HydrophobicContact CG-CD2 4.48Å
366T81Confident85.2Confident106 Ų10673 Ų7365%0.6538%0.381SS*.  trans-120.6176.6-17760.30000111.8M369T366-M369 PolarHBondContact O-N 2.78Å
367G82.9Confident85.9Confident61 Ų6165 Ų6563%0.62934%0.338SS*.G310 helixtrans65.4-135.8179.900000113.3M369 K370G367-M369 PolarHBondContact O-N 3Å; G367-M369 VanDerWaalsContact O-N 3.15Å; G367-K370 VanDerWaalsContact O-CB 3.24Å; G367-K370 WeakPolarHBondContact O-CB 3.44Å; G367-K370 PolarHBondContact O-N 3.48Å
368R79.3Confident86.7Confident259 Ų25965 Ų6598%0.97733%0.334SS*.G310 helixtrans-60.7-22.7-178.6-175.3174.7176.2175.4-0.5113.8
369M81.5Confident87.3Confident97 Ų9764.5 Ų64.548%0.47833%0.327SS..G310 helixtrans-99.613.8178.5-61.8-176.873.700113.3L365 T366 G367 G371 Q372L365-M369 HydrophobicContact CB-CB 4.14Å; L365-M369 HydrophobicContact CD1-CB 4.07Å; L365-M369 HydrophobicContact CD1-CE 3.78Å; L365-M369 HydrophobicContact CD1-SD 4.35Å; T366-M369 PolarHBondContact O-N 2.78Å; G367-M369 PolarHBondContact O-N 3Å; G367-M369 VanDerWaalsContact O-N 3.15Å; M369-G371 PolarHBondContact O-N 3.3Å; M369-Q372 PolarHBondContact O-N 3.29Å
370K85.5Confident87.8Confident129 Ų12964.9 Ų64.956%0.56133%0.328SS*.THydrogen-bonded Turntrans-55.6138.5176.8-166.2-178.7-164.6-169.30110.9A338 G367A338-K370 HydrophobicContact CB-CD 4.22Å; A338-K370 WeakPolarHBondContact O-CE 3.32Å; A338-K370 PolarHBondContact O-NZ 3.49Å; G367-K370 VanDerWaalsContact O-CB 3.24Å; G367-K370 WeakPolarHBondContact O-CB 3.44Å; G367-K370 PolarHBondContact O-N 3.48Å
371G87.1Confident88Confident10 Ų1071.1 Ų71.110%0.10336%0.357CS..THydrogen-bonded Turntrans94.816-173.300000114.1N335 L336 M369N335-G371 PolarHBondContact N-O 2.93Å; L336-G371 PolarHBondContact N-O 2.89Å; M369-G371 PolarHBondContact O-N 3.3Å
372Q91.9Very high88.2Confident60 Ų6069.1 Ų69.128%0.2834%0.344SS..  trans-133.6149.5174.4-62.6175.943.800110.2V333 L365 M369V333-Q372 CarbonylContact O-C 3.55Å; V333-Q372 VanDerWaalsContact O-CA 3.25Å; V333-Q372 WeakPolarHBondContact O-CA 3.34Å; L365-Q372 HydrophobicContact CB-CB 4.43Å; L365-Q372 WeakPolarHBondContact CB-O 3.37Å; L365-Q372 HydrophobicContact CD1-CB 3.95Å; L365-Q372 HydrophobicContact CG-CB 4.38Å; L365-Q372 PolarHBondContact N-O 2.94Å; M369-Q372 PolarHBondContact O-N 3.29Å
373A92.4Very high88.4Confident0 Ų066.9 Ų66.90%034%0.336CS..EExtended strand (participates in β ladder)trans-143.1156.6172.900000111C332 V333 L336 L345 R363 L364C332-A373 CarbonylContact C-O 3.6Å; C332-A373 WeakPolarHBondContact CA-O 3.46Å; V333-A373 HydrophobicContact CB-CB 4.45Å; V333-A373 PolarHBondContact N-O 3.39Å; V333-A373 PolarHBondContact O-N 3.32Å; L336-A373 HydrophobicContact CD1-CB 3.7Å; L345-A373 HydrophobicContact CD1-CB 3.77Å; R363-A373 CarbonylContact O-C 2.76Å; R363-A373 VanDerWaalsContact O-CA 3.25Å; R363-A373 WeakPolarHBondContact O-CA 3.27Å; L364-A373 HydrophobicContact CD1-CB 4.05Å
374F92.9Very high88.7Confident65 Ų6563 Ų6329%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-112.1142.8164.1-66.2-78000109.9V330 L331 C332 R363 L365V330-F374 HydrophobicContact CG1-CB 4.43Å; V330-F374 HydrophobicContact CG1-CD1 4.14Å; L331-F374 CarbonylContact O-C 3.53Å; L331-F374 VanDerWaalsContact O-CA 3.27Å; L331-F374 WeakPolarHBondContact O-CA 3.38Å; C332-F374 HydrophobicContact CB-CD1 3.91Å; C332-F374 HydrophobicContact CB-CE1 3.68Å; C332-F374 VanDerWaalsContact SG-CE1 3.56Å; R363-F374 HydrophobicContact CB-CB 4.31Å; R363-F374 PolarHBondContact N-O 3.37Å; R363-F374 PolarHBondContact O-N 3.1Å; L365-F374 HydrophobicContact CD1-CD2 4.35Å; L365-F374 HydrophobicContact CD1-CE2 3.92Å; L365-F374 HydrophobicContact CD2-CD2 4.25Å; L365-F374 HydrophobicContact CD2-CE2 4.42Å; L365-F374 HydrophobicContact CG-CD2 4.48Å
375I91.9Very high88.8Confident0 Ų064.3 Ų64.30%033%0.332CS..EExtended strand (participates in β ladder)trans-132.1117.6178.6-55.4-179.7000107.2V330 L331 V333 F349 V360 V361 Y362 L377V330-I375 CarbonylContact C-O 2.75Å; V330-I375 WeakPolarHBondContact CA-O 3.41Å; L331-I375 PolarHBondContact N-O 3.14Å; L331-I375 PolarHBondContact O-N 3.45Å; V333-I375 HydrophobicContact CG2-CD1 3.78Å; V333-I375 HydrophobicContact CG2-CG1 4.29Å; F349-I375 HydrophobicContact CD1-CD1 4.11Å; F349-I375 HydrophobicContact CD1-CG2 4.4Å; F349-I375 HydrophobicContact CD2-CD1 3.37Å; F349-I375 HydrophobicContact CE1-CD1 4.07Å; F349-I375 HydrophobicContact CE2-CD1 3.32Å; F349-I375 HydrophobicContact CG-CD1 3.78Å; F349-I375 HydrophobicContact CG-CG2 4.46Å; F349-I375 HydrophobicContact CZ-CD1 3.69Å; V360-I375 HydrophobicContact CG1-CG2 3.57Å; V361-I375 CarbonylContact O-C 3.29Å; V361-I375 WeakPolarHBondContact O-CA 3.46Å; Y362-I375 HydrophobicContact CD1-CD1 4.19Å; Y362-I375 HydrophobicContact CD1-CG1 4.13Å; Y362-I375 HydrophobicContact CD1-CG2 4.24Å; Y362-I375 HydrophobicContact CE1-CD1 4.24Å; Y362-I375 HydrophobicContact CE1-CG2 4.12Å; I375-L377 HydrophobicContact CG2-CG 4.34Å
376T91Very high89.1Confident48 Ų4863.1 Ų63.129%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-97118174.7-51.20000108.4K329 V330 V360 V361K329-T376 HydrophobicContact CG-CG2 4.46Å; V330-T376 HydrophobicContact CG2-CG2 4.2Å; V360-T376 WeakPolarHBondContact CA-O 3.32Å; V361-T376 PolarHBondContact N-O 2.69Å; V361-T376 PolarHBondContact O-N 3.35Å
377L90.7Very high89.7Confident4 Ų458.8 Ų58.82%0.02130%0.298CS..  trans-97.5161.4177.2-73.3163.3000110K329 L331 F352 V360 I375 T382 A383 A386K329-L377 PolarHBondContact O-N 3.13Å; L331-L377 HydrophobicContact CD1-CD1 3.65Å; L331-L377 HydrophobicContact CG-CD1 4.23Å; F352-L377 HydrophobicContact CB-CD2 3.83Å; V360-L377 HydrophobicContact CB-CD2 4.42Å; V360-L377 HydrophobicContact CG1-CD2 3.72Å; V360-L377 HydrophobicContact CG1-CG 4.4Å; V360-L377 HydrophobicContact CG2-CD2 3.78Å; I375-L377 HydrophobicContact CG2-CG 4.34Å; L377-T382 HydrophobicContact CB-CG2 4.45Å; L377-T382 HydrophobicContact CD2-CG2 4.29Å; L377-A383 HydrophobicContact CB-CB 4.3Å; L377-A383 HydrophobicContact CD1-CB 3.91Å; L377-A386 HydrophobicContact CD1-CB 3.63Å
378P89.4Confident90.1Very high22 Ų2263 Ų6314%0.14330%0.295CS..SBendtrans-58.5-51.9-179.721.5-33.8000111.8P358 T382P358-P378 HydrophobicContact CG-CB 3.81Å; P378-T382 HydrophobicContact CG-CG2 4.27Å
379D90.2Very high90.6Very high73 Ų7352.1 Ų52.139%0.3926%0.256SS..  trans-120.8155.4-172-62.9-59.5000113.4Q354 E381 T382 A383Q354-D379 PolarHBondContact NE2-OD2 2.83Å; D379-E381 VanDerWaalsContact C-N 3.34Å; D379-T382 PolarHBondContact O-N 3.03Å; D379-A383 WeakPolarHBondContact O-CB 3.32Å; D379-A383 PolarHBondContact O-N 2.91Å
380T91.5Very high91.1Very high74 Ų7447.5 Ų47.545%0.45423%0.233SC..Hα-helixtrans-66.7-34.4174.761.40000112.4K329 A383 Q384K329-T380 HydrophobicContact CB-CG2 4.31Å; T380-A383 PolarHBondContact O-N 3.34Å; T380-Q384 PolarHBondContact O-N 3.43Å
381E92Very high91.5Very high143 Ų14341.5 Ų41.567%0.66821%0.207SC*.Hα-helixtrans-68.1-45.8175.7-59.9-171.717800111.1D379 A383 Q384 N385D379-E381 VanDerWaalsContact C-N 3.34Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.38Å; E381-Q384 WeakPolarHBondContact O-CB 3.44Å; E381-Q384 PolarHBondContact O-N 3.23Å; E381-Q384 VanDerWaalsContact O-N 3.07Å; E381-N385 PolarHBondContact O-N 3.08Å; E381-N385 PolarHBondContact O-ND2 3.39Å
382T91.3Very high91.7Very high21 Ų2141 Ų4113%0.12920%0.202CC..Hα-helixtrans-58.1-41.6172.4-63.30000111.5F352 L377 P378 D379 Q384 N385 A386F352-T382 HydrophobicContact CB-CG2 3.66Å; F352-T382 HydrophobicContact CD1-CG2 4.35Å; F352-T382 HydrophobicContact CG-CG2 4.35Å; F352-T382 WeakPolarHBondContact O-CG2 3.33Å; L377-T382 HydrophobicContact CB-CG2 4.45Å; L377-T382 HydrophobicContact CD2-CG2 4.29Å; P378-T382 HydrophobicContact CG-CG2 4.27Å; D379-T382 PolarHBondContact O-N 3.03Å; T382-Q384 PolarHBondContact O-N 3.3Å; T382-N385 PolarHBondContact O-N 3.02Å; T382-A386 VanDerWaalsContact O-CB 3.3Å; T382-A386 WeakPolarHBondContact O-CB 3.45Å; T382-A386 PolarHBondContact O-N 2.93Å
383A91.7Very high91.7Very high0 Ų039.2 Ų39.20%019%0.193CC..Hα-helixtrans-64.1-37.2173.300000113.4S328 L331 L377 D379 T380 E381 L387 F404S328-A383 WeakPolarHBondContact O-CB 3.44Å; L331-A383 HydrophobicContact CD2-CB 4.18Å; L331-A383 HydrophobicContact CG-CB 4.23Å; L377-A383 HydrophobicContact CB-CB 4.3Å; L377-A383 HydrophobicContact CD1-CB 3.91Å; D379-A383 WeakPolarHBondContact O-CB 3.32Å; D379-A383 PolarHBondContact O-N 2.91Å; T380-A383 PolarHBondContact O-N 3.34Å; E381-A383 VanDerWaalsContact C-N 3.29Å; E381-A383 PolarHBondContact O-N 3.38Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.13Å; A383-F404 HydrophobicContact CB-CE1 4.31Å
384Q93.6Very high91.6Very high75 Ų7545 Ų4535%0.3522%0.215SC..Hα-helixtrans-67-40.1174.7-172.4173.230.200112.2T380 E381 T382 R388 F404T380-Q384 PolarHBondContact O-N 3.43Å; E381-Q384 WeakPolarHBondContact O-CB 3.44Å; E381-Q384 PolarHBondContact O-N 3.23Å; E381-Q384 VanDerWaalsContact O-N 3.07Å; T382-Q384 PolarHBondContact O-N 3.3Å; Q384-R388 WeakPolarHBondContact O-CB 3.48Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.39Å; Q384-R388 PolarHBondContact O-N 2.63Å; Q384-F404 HydrophobicContact CB-CZ 4.06Å; Q384-F404 HydrophobicContact CG-CZ 4.22Å
385N91.7Very high91.4Very high78 Ų7842.2 Ų42.242%0.41720%0.203SC..Hα-helixtrans-67.5-43.2175.7-68.2-24.3000111.5E381 T382 L387 R388 L389E381-N385 PolarHBondContact O-N 3.08Å; E381-N385 PolarHBondContact O-ND2 3.39Å; T382-N385 PolarHBondContact O-N 3.02Å; N385-L387 PolarHBondContact O-N 2.7Å; N385-R388 PolarHBondContact O-N 3.41Å; N385-L389 WeakPolarHBondContact O-CB 3.29Å; N385-L389 PolarHBondContact O-N 3.49Å
386A92.5Very high91.2Very high0 Ų046.8 Ų46.80%023%0.227CC..Hα-helixtrans-62.3-41175.300000112.9L331 F349 F352 L377 T382 L389 V390L331-A386 HydrophobicContact CD1-CB 3.94Å; F349-A386 HydrophobicContact CD1-CB 4.1Å; F349-A386 HydrophobicContact CE1-CB 4.03Å; F352-A386 HydrophobicContact CD1-CB 4.17Å; F352-A386 HydrophobicContact CD2-CB 3.5Å; F352-A386 HydrophobicContact CE1-CB 4.16Å; F352-A386 HydrophobicContact CE2-CB 3.5Å; F352-A386 VanDerWaalsContact CE2-CB 3.5Å; F352-A386 HydrophobicContact CG-CB 3.88Å; F352-A386 VanDerWaalsContact CZ-CA 3.44Å; F352-A386 HydrophobicContact CZ-CB 3.84Å; L377-A386 HydrophobicContact CD1-CB 3.63Å; T382-A386 VanDerWaalsContact O-CB 3.3Å; T382-A386 WeakPolarHBondContact O-CB 3.45Å; T382-A386 PolarHBondContact O-N 2.93Å; A386-L389 PolarHBondContact O-N 3Å; A386-V390 WeakPolarHBondContact O-CB 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 3.06Å
387L93.4Very high90.9Very high15 Ų1547.3 Ų47.38%0.07924%0.242CC..Hα-helixtrans-62-48.5172.6-172.3155.2000110.8P324 L331 A383 N385 L389 H391 V402 F404P324-L387 HydrophobicContact CB-CD1 4.17Å; P324-L387 HydrophobicContact CB-CD2 4.38Å; L331-L387 HydrophobicContact CD2-CB 4.17Å; L331-L387 HydrophobicContact CD2-CD1 4.12Å; A383-L387 WeakPolarHBondContact O-CB 3.48Å; A383-L387 PolarHBondContact O-N 3.13Å; N385-L387 PolarHBondContact O-N 2.7Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.82Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-N 3.27Å; L387-H391 VanDerWaalsContact O-N 3.1Å; L387-V402 HydrophobicContact CB-CG1 4.24Å; L387-V402 HydrophobicContact CD1-CG1 4.27Å; L387-V402 WeakPolarHBondContact CD1-O 3.34Å; L387-V402 HydrophobicContact CG-CB 4.27Å; L387-V402 HydrophobicContact CG-CG1 3.97Å; L387-F404 HydrophobicContact CD1-CD1 4.26Å; L387-F404 HydrophobicContact CD1-CD2 3.93Å; L387-F404 HydrophobicContact CD1-CE1 4.15Å; L387-F404 HydrophobicContact CD1-CE2 3.81Å; L387-F404 HydrophobicContact CD1-CG 4.16Å; L387-F404 HydrophobicContact CD1-CZ 3.93Å
388R91.1Very high90.9Very high151 Ų15150.3 Ų50.357%0.5726%0.255SS*.Hα-helixtrans-58.6-36.3179.8-77.7172.3178.2169.30.4113.2R307 Q384 N385R307-R388 PolarHBondContact NH1-O 3.16Å; Q384-R388 WeakPolarHBondContact O-CB 3.48Å; Q384-R388 VanDerWaalsContact O-CG 3.3Å; Q384-R388 WeakPolarHBondContact O-CG 3.39Å; Q384-R388 PolarHBondContact O-N 2.63Å; N385-R388 PolarHBondContact O-N 3.41Å
389L90.3Very high91.1Very high29 Ų2949.9 Ų49.915%0.15225%0.252CS..Hα-helixtrans-87.1-45.7-175.5-169.4137.7000113D300 I303 F352 N385 A386 L387D300-L389 HydrophobicContact CB-CD1 4.26Å; I303-L389 HydrophobicContact CB-CD2 4.27Å; I303-L389 HydrophobicContact CD1-CD2 3.8Å; I303-L389 HydrophobicContact CG2-CD2 3.87Å; I303-L389 VanDerWaalsContact CG2-O 3.32Å; I303-L389 WeakPolarHBondContact CG2-O 3.41Å; F352-L389 HydrophobicContact CZ-CB 4.18Å; F352-L389 HydrophobicContact CZ-CD2 4.16Å; N385-L389 WeakPolarHBondContact O-CB 3.29Å; N385-L389 PolarHBondContact O-N 3.49Å; A386-L389 PolarHBondContact O-N 3Å; L387-L389 VanDerWaalsContact C-N 3.27Å; L387-L389 PolarHBondContact O-N 2.82Å
390V91.9Very high91.2Very high0 Ų046.5 Ų46.50%023%0.234CC..Hα-helixtrans-88.9-17.4-171.9-1740000113.2L348 F349 F352 A386 G392 Y393 L400L348-V390 HydrophobicContact CB-CG1 4.44Å; L348-V390 HydrophobicContact CD1-CG1 4.31Å; F349-V390 HydrophobicContact CE1-CB 4.28Å; F349-V390 HydrophobicContact CE1-CG1 4.44Å; F349-V390 HydrophobicContact CE1-CG2 4.1Å; F349-V390 HydrophobicContact CE2-CB 4.47Å; F349-V390 HydrophobicContact CE2-CG1 3.78Å; F349-V390 HydrophobicContact CE2-CG2 4.49Å; F349-V390 HydrophobicContact CZ-CB 3.91Å; F349-V390 HydrophobicContact CZ-CG1 3.63Å; F349-V390 HydrophobicContact CZ-CG2 4.09Å; F352-V390 HydrophobicContact CE2-CG2 4.03Å; A386-V390 WeakPolarHBondContact O-CB 3.48Å; A386-V390 WeakPolarHBondContact O-CG2 3.29Å; A386-V390 PolarHBondContact O-N 3.06Å; V390-G392 PolarHBondContact O-N 2.95Å; V390-Y393 VanDerWaalsContact O-CB 3.32Å; V390-Y393 WeakPolarHBondContact O-CB 3.26Å; V390-Y393 PolarHBondContact O-N 3.3Å; V390-L400 HydrophobicContact CG1-CD1 4.23Å
391H93.1Very high91.3Very high4 Ų443 Ų432%0.01921%0.212CC..THydrogen-bonded Turntrans-58.2133.6175.7-175.745.9000111.5R307 D310 I313 Y322 L387 Y393 L400 V402R307-H391 WeakPolarHBondContact CD-O 3.19Å; R307-H391 WeakPolarHBondContact CG-O 3.42Å; R307-H391 VanDerWaalsContact CZ-O 3.26Å; R307-H391 PolarHBondContact NE-O 2.83Å; D310-H391 IonicContact OD1-CD2 2.67Å; I313-H391 VanDerWaalsContact CD1-CE1 3.42Å; I313-H391 WeakPolarHBondContact CD1-CE1 3.38Å; Y322-H391 AromaticContact CD1-NE2 3.98Å; Y322-H391 AromaticContact CE1-CE1 3.53Å; Y322-H391 AromaticContact CE1-NE2 3.1Å; Y322-H391 WeakPolarHBondContact CE1-NE2 3.47Å; Y322-H391 AromaticContact CE2-CE1 3.94Å; Y322-H391 AromaticContact CZ-CE1 3.32Å; Y322-H391 AromaticContact CZ-NE2 3.3Å; Y322-H391 VanDerWaalsContact CZ-NE2 3.3Å; Y322-H391 PolarHBondContact OH-CE1 2.93Å; Y322-H391 VanDerWaalsContact OH-CE1 3.27Å; Y322-H391 PolarHBondContact OH-NE2 2.98Å; L387-H391 WeakPolarHBondContact O-CB 3.49Å; L387-H391 PolarHBondContact O-N 3.27Å; L387-H391 VanDerWaalsContact O-N 3.1Å; H391-Y393 VanDerWaalsContact C-N 3.27Å; H391-Y393 PolarHBondContact O-N 3.22Å; H391-L400 PolarHBondContact ND1-O 3.44Å; H391-V402 HydrophobicContact CB-CB 4.41Å; H391-V402 PolarHBondContact ND1-N 3.42Å
392G90.6Very high91.4Very high0 Ų036.1 Ų36.10%018%0.18CC..THydrogen-bonded Turntrans82-12.6-178.600000115.3E308 V390 R394 L400E308-G392 WeakPolarHBondContact CB-O 3.11Å; E308-G392 PolarHBondContact N-O 2.92Å; V390-G392 PolarHBondContact O-N 2.95Å; G392-R394 PolarHBondContact O-N 3.46Å; G392-L400 WeakPolarHBondContact CA-O 3.36Å; G392-L400 PolarHBondContact N-O 3.4Å
393Y92.6Very high91.6Very high21 Ų2137.1 Ų37.18%0.08218%0.183CC..BIsolated β-bridgetrans-53.4131179.6177.8-101.7000112.3I303 N306 L348 V390 H391 L395 P399 L400I303-Y393 HydrophobicContact CB-CD2 4.1Å; I303-Y393 HydrophobicContact CB-CE2 4.46Å; I303-Y393 HydrophobicContact CG1-CD2 4.04Å; I303-Y393 HydrophobicContact CG1-CE2 4.04Å; I303-Y393 HydrophobicContact CG2-CD2 3.86Å; I303-Y393 HydrophobicContact CG2-CG 4.34Å; N306-Y393 HydrophobicContact CB-CD2 4.18Å; N306-Y393 HydrophobicContact CB-CE2 3.93Å; L348-Y393 HydrophobicContact CD1-CD1 3.85Å; L348-Y393 HydrophobicContact CD1-CE1 4Å; L348-Y393 HydrophobicContact CD2-CD1 3.71Å; L348-Y393 HydrophobicContact CD2-CD2 4.5Å; L348-Y393 HydrophobicContact CD2-CE1 3.64Å; L348-Y393 HydrophobicContact CD2-CE2 4.42Å; L348-Y393 HydrophobicContact CD2-CG 4.15Å; L348-Y393 HydrophobicContact CG-CD1 4.44Å; L348-Y393 HydrophobicContact CG-CE1 4.35Å; V390-Y393 VanDerWaalsContact O-CB 3.32Å; V390-Y393 WeakPolarHBondContact O-CB 3.26Å; V390-Y393 PolarHBondContact O-N 3.3Å; H391-Y393 VanDerWaalsContact C-N 3.27Å; H391-Y393 PolarHBondContact O-N 3.22Å; Y393-L395 HydrophobicContact CD1-CB 4.04Å; Y393-L395 HydrophobicContact CE1-CB 3.93Å; Y393-L395 HydrophobicContact CE1-CD1 4.13Å; Y393-L395 PolarHBondContact O-N 3.05Å; Y393-L395 VanDerWaalsContact O-N 3.16Å; Y393-P399 CarbonylContact O-C 3.59Å; Y393-P399 WeakPolarHBondContact O-CA 3.19Å; Y393-L400 HydrophobicContact CD1-CD1 4.2Å; Y393-L400 WeakPolarHBondContact O-CG 3.34Å; Y393-L400 PolarHBondContact O-N 2.85Å
394R91Very high91.7Very high123 Ų12338.1 Ų38.146%0.46419%0.188SC..EExtended strand (participates in β ladder)trans-87.175.8-174.7-74.2169.9153.1-113.84.5113.2N306 E308 G392 L396 K398 P399N306-R394 WeakPolarHBondContact O-CB 3.37Å; N306-R394 WeakPolarHBondContact O-CG 3.43Å; N306-R394 PolarHBondContact O-N 3.3Å; E308-R394 HydrophobicContact CB-CG 4.5Å; E308-R394 IonicContact OE2-CZ 3.33Å; E308-R394 VanDerWaalsContact OE2-CZ 3.31Å; E308-R394 IonicContact OE2-NE 3.21Å; E308-R394 PolarHBondContact OE2-NE 3.4Å; E308-R394 VanDerWaalsContact OE2-NE 3.12Å; E308-R394 IonicContact OE2-NH2 3.77Å; E308-R394 PolarHBondContact OE2-NH2 3.21Å; G392-R394 PolarHBondContact O-N 3.46Å; R394-L396 PolarHBondContact O-N 3.03Å; R394-K398 CarbonylContact C-O 3.58Å; R394-K398 WeakPolarHBondContact CA-O 3.47Å; R394-P399 HydrophobicContact CG-CB 4.27Å
395L87.9Confident91.4Very high5 Ų535 Ų353%0.02618%0.175CC..EExtended strand (participates in β ladder)trans-74.5120.9175.1-174.864.6000111.7L336 A340 Q344 Y393 G397 K398 L400L336-L395 HydrophobicContact CD2-CD2 3.94Å; A340-L395 HydrophobicContact CB-CD2 4.16Å; Q344-L395 HydrophobicContact CB-CD1 4.02Å; Q344-L395 HydrophobicContact CB-CD2 4.15Å; Q344-L395 HydrophobicContact CG-CD1 4.41Å; Y393-L395 HydrophobicContact CD1-CB 4.04Å; Y393-L395 HydrophobicContact CE1-CB 3.93Å; Y393-L395 HydrophobicContact CE1-CD1 4.13Å; Y393-L395 PolarHBondContact O-N 3.05Å; Y393-L395 VanDerWaalsContact O-N 3.16Å; L395-G397 PolarHBondContact O-N 3.46Å; L395-K398 PolarHBondContact N-O 3.14Å; L395-K398 PolarHBondContact O-N 3.13Å; L395-K398 VanDerWaalsContact O-N 3.07Å; L395-L400 HydrophobicContact CB-CD1 4.21Å; L395-L400 HydrophobicContact CB-CD2 4.07Å; L395-L400 HydrophobicContact CB-CG 4.15Å
396L86.7Confident90.7Very high96 Ų9641.5 Ų41.550%0.50319%0.194SC..THydrogen-bonded Turntrans5043.6-178-59.8175.2000112.5Q339 A340 R394 K398Q339-L396 HydrophobicContact CB-CD1 4.25Å; A340-L396 HydrophobicContact CB-CD1 4.44Å; R394-L396 PolarHBondContact O-N 3.03Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.05Å
397G85.4Confident89.4Confident59 Ų5945.2 Ų45.261%0.60821%0.212SC*.THydrogen-bonded Turntrans76.94.417900000115.7L395L395-G397 PolarHBondContact O-N 3.46Å
398K90.6Very high87.8Confident67 Ų6753.9 Ų53.929%0.29124%0.243SC..EExtended strand (participates in β ladder)trans-118.5127179.1-59.7-172.674.1-133.90111.3N335 L336 R394 L395 L396 L400N335-K398 PolarHBondContact O-NZ 3.29Å; N335-K398 WeakPolarHBondContact OD1-CE 3.24Å; N335-K398 PolarHBondContact OD1-NZ 3.12Å; L336-K398 PolarHBondContact O-NZ 3.32Å; R394-K398 CarbonylContact C-O 3.58Å; R394-K398 WeakPolarHBondContact CA-O 3.47Å; L395-K398 PolarHBondContact N-O 3.14Å; L395-K398 PolarHBondContact O-N 3.13Å; L395-K398 VanDerWaalsContact O-N 3.07Å; L396-K398 VanDerWaalsContact C-N 3.3Å; L396-K398 PolarHBondContact O-N 3.05Å; K398-L400 PolarHBondContact O-N 3.39Å
399P93Very high86Confident14 Ų1451.8 Ų51.89%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-70.6129.9178.128.7-34.2000111.2E308 M316 N335 Y393 R394E308-P399 HydrophobicContact CB-CB 3.63Å; E308-P399 HydrophobicContact CB-CG 4.43Å; E308-P399 HydrophobicContact CG-CB 4.11Å; E308-P399 HydrophobicContact CG-CG 4.41Å; M316-P399 HydrophobicContact SD-CG 4.02Å; N335-P399 WeakPolarHBondContact CB-O 3.22Å; N335-P399 PolarHBondContact ND2-O 3.17Å; Y393-P399 CarbonylContact O-C 3.59Å; Y393-P399 WeakPolarHBondContact O-CA 3.19Å; R394-P399 HydrophobicContact CG-CB 4.27Å
400L93.8Very high84.3Confident1 Ų154 Ų541%0.00525%0.25CC..PPolyproline II helixtrans-76.1128.7178.6-61.9-174.7000111.4V333 L336 L348 V390 H391 G392 Y393 L395 K398 V402V333-L400 HydrophobicContact CG1-CB 4.29Å; V333-L400 HydrophobicContact CG1-CD1 4.26Å; V333-L400 HydrophobicContact CG1-CD2 4.15Å; V333-L400 HydrophobicContact CG1-CG 4.46Å; L336-L400 HydrophobicContact CD2-CD2 3.41Å; L336-L400 VanDerWaalsContact CD2-CD2 3.41Å; L336-L400 HydrophobicContact CG-CD2 3.95Å; L348-L400 HydrophobicContact CD1-CD1 3.82Å; V390-L400 HydrophobicContact CG1-CD1 4.23Å; H391-L400 PolarHBondContact ND1-O 3.44Å; G392-L400 WeakPolarHBondContact CA-O 3.36Å; G392-L400 PolarHBondContact N-O 3.4Å; Y393-L400 HydrophobicContact CD1-CD1 4.2Å; Y393-L400 WeakPolarHBondContact O-CG 3.34Å; Y393-L400 PolarHBondContact O-N 2.85Å; L395-L400 HydrophobicContact CB-CD1 4.21Å; L395-L400 HydrophobicContact CB-CD2 4.07Å; L395-L400 HydrophobicContact CB-CG 4.15Å; K398-L400 PolarHBondContact O-N 3.39Å; L400-V402 HydrophobicContact CB-CG2 4.49Å
401V93.6Very high82.5Confident0 Ų058.2 Ų58.20%027%0.269CS..EExtended strand (participates in β ladder)trans-103.8118.8175.3-1780000107.6I313 F319 Y322 K334 N335I313-V401 HydrophobicContact CG2-CG2 3.76Å; F319-V401 HydrophobicContact CD1-CB 4.31Å; F319-V401 HydrophobicContact CD1-CG1 3.91Å; F319-V401 HydrophobicContact CD1-CG2 4.09Å; F319-V401 HydrophobicContact CD2-CG2 3.86Å; F319-V401 HydrophobicContact CE1-CB 4.15Å; F319-V401 HydrophobicContact CE1-CG1 4.1Å; F319-V401 HydrophobicContact CE1-CG2 4.11Å; F319-V401 HydrophobicContact CE2-CG2 3.89Å; F319-V401 HydrophobicContact CG-CG1 4.42Å; F319-V401 HydrophobicContact CG-CG2 3.97Å; F319-V401 HydrophobicContact CZ-CB 4.37Å; F319-V401 HydrophobicContact CZ-CG2 4.03Å; Y322-V401 HydrophobicContact CD2-CG1 3.47Å; Y322-V401 VanDerWaalsContact CD2-CG1 3.47Å; Y322-V401 HydrophobicContact CE2-CG1 3.66Å; Y322-V401 HydrophobicContact CG-CG1 4.24Å; K334-V401 HydrophobicContact CB-CB 4.27Å; K334-V401 PolarHBondContact N-O 2.92Å; K334-V401 PolarHBondContact O-N 3.31Å; K334-V401 VanDerWaalsContact O-N 3.09Å; N335-V401 HydrophobicContact CB-CG2 4.26Å
402V94.4Very high80.7Confident0 Ų063.2 Ų63.20%029%0.293CS..EExtended strand (participates in β ladder)trans-118.3115.9-169.5-175.90000108.6Y322 L331 V333 L387 H391 L400Y322-V402 PolarHBondContact OH-O 2.86Å; L331-V402 HydrophobicContact CB-CG1 4.18Å; L331-V402 HydrophobicContact CD1-CG1 4.08Å; L331-V402 HydrophobicContact CD2-CG1 4.27Å; L331-V402 HydrophobicContact CG-CG1 4.42Å; V333-V402 HydrophobicContact CG1-CG2 4.47Å; V333-V402 HydrophobicContact CG2-CG2 4.39Å; L387-V402 HydrophobicContact CB-CG1 4.24Å; L387-V402 HydrophobicContact CD1-CG1 4.27Å; L387-V402 WeakPolarHBondContact CD1-O 3.34Å; L387-V402 HydrophobicContact CG-CB 4.27Å; L387-V402 HydrophobicContact CG-CG1 3.97Å; H391-V402 HydrophobicContact CB-CB 4.41Å; H391-V402 PolarHBondContact ND1-N 3.42Å; L400-V402 HydrophobicContact CB-CG2 4.49Å
403E93.9Very high79.1Confident41 Ų4168.7 Ų68.719%0.19232%0.316CS..EExtended strand (participates in β ladder)trans-114.5156177.9-67.7171.3-14900109.9Y322 L331 C332 K334Y322-E403 HydrophobicContact CD2-CG 3.92Å; Y322-E403 HydrophobicContact CE2-CG 3.57Å; L331-E403 CarbonylContact C-O 3.59Å; L331-E403 WeakPolarHBondContact CA-O 3.41Å; C332-E403 HydrophobicContact CB-CB 4.49Å; C332-E403 PolarHBondContact N-O 3.09Å; C332-E403 PolarHBondContact O-N 2.93Å; K334-E403 WeakPolarHBondContact CE-OE1 3.43Å; K334-E403 WeakPolarHBondContact CE-OE2 3.43Å; K334-E403 IonicContact NZ-OE1 3.32Å; K334-E403 PolarHBondContact NZ-OE1 3.25Å; K334-E403 IonicContact NZ-OE2 3.38Å; K334-E403 PolarHBondContact NZ-OE2 3.02Å
404F94.2Very high77.7Confident21 Ų2173.6 Ų73.69%0.09234%0.335CS..EExtended strand (participates in β ladder)trans-71133.3166.1-68.3-66.6000110.8P324 K326 P327 S328 L331 A383 Q384 L387P324-F404 HydrophobicContact CB-CD2 4.3Å; P324-F404 HydrophobicContact CB-CE2 4.39Å; P324-F404 WeakPolarHBondContact O-CB 3.4Å; P324-F404 VanDerWaalsContact O-CD2 3.28Å; P324-F404 WeakPolarHBondContact O-CD2 3.3Å; P324-F404 PolarHBondContact O-N 2.88Å; K326-F404 WeakPolarHBondContact O-CB 3.41Å; K326-F404 WeakPolarHBondContact O-CD2 3.43Å; K326-F404 WeakPolarHBondContact O-CG 3.47Å; P327-F404 HydrophobicContact CB-CE1 4.49Å; P327-F404 HydrophobicContact CB-CE2 4.34Å; P327-F404 HydrophobicContact CB-CZ 4.19Å; S328-F404 VanDerWaalsContact N-CD1 3.34Å; S328-F404 WeakPolarHBondContact O-CD1 3.43Å; L331-F404 HydrophobicContact CD2-CD1 3.58Å; L331-F404 HydrophobicContact CD2-CE1 3.86Å; L331-F404 HydrophobicContact CD2-CG 4.45Å; A383-F404 HydrophobicContact CB-CE1 4.31Å; Q384-F404 HydrophobicContact CB-CZ 4.06Å; Q384-F404 HydrophobicContact CG-CZ 4.22Å; L387-F404 HydrophobicContact CD1-CD1 4.26Å; L387-F404 HydrophobicContact CD1-CD2 3.93Å; L387-F404 HydrophobicContact CD1-CE1 4.15Å; L387-F404 HydrophobicContact CD1-CE2 3.81Å; L387-F404 HydrophobicContact CD1-CG 4.16Å; L387-F404 HydrophobicContact CD1-CZ 3.93Å
405G87.4Confident76.4Confident9 Ų974.5 Ų74.59%0.09335%0.346CS..PPolyproline II helixtrans-71.6133.1177.200000111.8S328 V330 E407S328-G405 WeakPolarHBondContact CB-O 3.49Å; S328-G405 PolarHBondContact OG-O 2.91Å; V330-G405 PolarHBondContact O-N 3.3Å; G405-E407 PolarHBondContact O-N 2.85Å
406R78.1Confident75.4Confident215 Ų21580.3 Ų80.381%0.81137%0.373SS*.PPolyproline II helixtrans-73.1116.3171.6-59.3-178.7-175-165.40109.1
407E64.8Low74.3Confident79 Ų7981 Ų8137%0.36937%0.373SS..PPolyproline II helixtrans-76.1125.2174-167.2164.5-132.500108.8K329 G405 Q409 E410K329-E407 VanDerWaalsContact CE-OE1 3.25Å; K329-E407 WeakPolarHBondContact CE-OE1 3.38Å; K329-E407 IonicContact NZ-OE1 3.43Å; K329-E407 PolarHBondContact NZ-OE1 3.38Å; G405-E407 PolarHBondContact O-N 2.85Å; E407-Q409 PolarHBondContact O-N 2.9Å; E407-E410 PolarHBondContact O-N 3.47Å
408R59Low73.7Confident196 Ų19684.2 Ų84.274%0.7437%0.373SS*.Hα-helixtrans-52.8-29.6-175.2-79.3-173.3-175.3163.10.6113.9E410 E411 E412R408-E410 PolarHBondContact O-N 2.9Å; R408-E411 PolarHBondContact O-N 3.18Å; R408-E412 PolarHBondContact O-N 3.35Å
409Q54.7Low72.7Confident107 Ų10782.5 Ų82.550%0.538%0.375SS..Hα-helixtrans-61.5-23.9177.9-61.1-171.8600113.3E407 K413E407-Q409 PolarHBondContact O-N 2.9Å; Q409-K413 WeakPolarHBondContact O-CB 3.26Å; Q409-K413 WeakPolarHBondContact O-CD 3.44Å; Q409-K413 WeakPolarHBondContact O-CG 3.25Å; Q409-K413 PolarHBondContact O-N 3.3Å
410E53.2Low71.8Confident77 Ų7787.1 Ų87.136%0.3640%0.395SS..Hα-helixtrans-74.6-31.1170-88.4-149.3-169.500112.7K326 E407 R408 R414K326-E410 WeakPolarHBondContact CD-OE1 3.28Å; K326-E410 IonicContact NZ-OE1 2.89Å; K326-E410 PolarHBondContact NZ-OE1 3.3Å; K326-E410 IonicContact NZ-OE2 3.91Å; K326-E410 PolarHBondContact NZ-OE2 3.08Å; E407-E410 PolarHBondContact O-N 3.47Å; R408-E410 PolarHBondContact O-N 2.9Å; E410-R414 WeakPolarHBondContact O-CB 3.35Å; E410-R414 VanDerWaalsContact O-CD 3.26Å; E410-R414 WeakPolarHBondContact O-CD 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.49Å; E410-R414 PolarHBondContact O-N 3.43Å; E410-R414 IonicContact OE2-CZ 2.81Å; E410-R414 IonicContact OE2-NE 2.62Å; E410-R414 IonicContact OE2-NH2 2.68Å; E410-R414 PolarHBondContact OE2-NH2 2.84Å
411E53.7Low70.9Confident88 Ų8892.9 Ų92.941%0.41142%0.42SS..Hα-helixtrans-76.1-43.3-179.8-66.7-177.9158.700110.5R408 R414 M415R408-E411 PolarHBondContact O-N 3.18Å; E411-R414 PolarHBondContact O-N 2.62Å; E411-M415 WeakPolarHBondContact O-CG 3.43Å; E411-M415 PolarHBondContact O-N 3.1Å
412E57Low70.2Confident109 Ų10997.9 Ų97.951%0.50944%0.443SS..Hα-helixtrans-57.9-52.8173.7-70.2164176.800111.1R408 R414 M415 E416R408-E412 PolarHBondContact O-N 3.35Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.46Å; E412-M415 PolarHBondContact O-N 3.47Å; E412-M415 VanDerWaalsContact O-N 3.16Å; E412-E416 WeakPolarHBondContact O-CG 3.26Å; E412-E416 PolarHBondContact O-N 2.92Å
413K56.9Low69.3Low114 Ų114104.2 Ų104.250%0.49647%0.474SS..Hα-helixtrans-62.4-29.6178.3-71.8172.7-175.5170.60114Q409 Q417Q409-K413 WeakPolarHBondContact O-CB 3.26Å; Q409-K413 WeakPolarHBondContact O-CD 3.44Å; Q409-K413 WeakPolarHBondContact O-CG 3.25Å; Q409-K413 PolarHBondContact O-N 3.3Å; K413-Q417 WeakPolarHBondContact O-CB 3.45Å; K413-Q417 VanDerWaalsContact O-CG 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.34Å; K413-Q417 VanDerWaalsContact O-N 3.15Å
414R61.6Low68.5Low125 Ų125108 Ų10847%0.47249%0.49SS..Hα-helixtrans-72.9-44.3174.6-76.8167.7-167.3-127.615.2111.3E410 E411 E412 E416 Q417 E418E410-R414 WeakPolarHBondContact O-CB 3.35Å; E410-R414 VanDerWaalsContact O-CD 3.26Å; E410-R414 WeakPolarHBondContact O-CD 3.3Å; E410-R414 WeakPolarHBondContact O-CG 3.49Å; E410-R414 PolarHBondContact O-N 3.43Å; E410-R414 IonicContact OE2-CZ 2.81Å; E410-R414 IonicContact OE2-NE 2.62Å; E410-R414 IonicContact OE2-NH2 2.68Å; E410-R414 PolarHBondContact OE2-NH2 2.84Å; E411-R414 PolarHBondContact O-N 2.62Å; E412-R414 VanDerWaalsContact C-N 3.28Å; E412-R414 PolarHBondContact O-N 3.46Å; R414-E416 VanDerWaalsContact C-N 3.33Å; R414-E416 PolarHBondContact O-N 3.42Å; R414-Q417 PolarHBondContact O-N 2.82Å; R414-E418 WeakPolarHBondContact O-CB 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.38Å; R414-E418 PolarHBondContact O-N 3.27Å
415M63.8Low67.9Low142 Ų142111 Ų11170%0.751%0.506SS*.Hα-helixtrans-63-39.4177-70.9-176.6176.600111.7E411 E412 E418 G419E411-M415 WeakPolarHBondContact O-CG 3.43Å; E411-M415 PolarHBondContact O-N 3.1Å; E412-M415 PolarHBondContact O-N 3.47Å; E412-M415 VanDerWaalsContact O-N 3.16Å; M415-E418 PolarHBondContact O-N 3.46Å; M415-G419 PolarHBondContact O-N 2.9Å
416E68.6Low67.4Low126 Ų126116 Ų11659%0.58953%0.526SS*.Hα-helixtrans-59.9-50.8171.9-71.3170.8169.700111.7E412 R414 E418 G419 E420E412-E416 WeakPolarHBondContact O-CG 3.26Å; E412-E416 PolarHBondContact O-N 2.92Å; R414-E416 VanDerWaalsContact C-N 3.33Å; R414-E416 PolarHBondContact O-N 3.42Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å; E416-G419 PolarHBondContact O-N 3.13Å; E416-E420 PolarHBondContact O-N 2.99Å
417Q63.5Low67.4Low110 Ų110112.1 Ų112.151%0.51452%0.516SS..Hα-helixtrans-66-30.3179.4-74.4178.620.500114K413 R414 K421K413-Q417 WeakPolarHBondContact O-CB 3.45Å; K413-Q417 VanDerWaalsContact O-CG 3.24Å; K413-Q417 WeakPolarHBondContact O-CG 3.42Å; K413-Q417 PolarHBondContact O-N 3.34Å; K413-Q417 VanDerWaalsContact O-N 3.15Å; R414-Q417 PolarHBondContact O-N 2.82Å; Q417-K421 VanDerWaalsContact O-CD 3.27Å; Q417-K421 WeakPolarHBondContact O-CD 3.35Å; Q417-K421 WeakPolarHBondContact O-CG 3.46Å; Q417-K421 PolarHBondContact O-N 2.86Å
418E71.4Confident67.8Low127 Ų127114.8 Ų114.859%0.59353%0.529SS*.Hα-helixtrans-73.6-42.5173.9-74.8176179.200110.9R414 M415 E416 E420 K421 E422R414-E418 WeakPolarHBondContact O-CB 3.44Å; R414-E418 WeakPolarHBondContact O-CG 3.38Å; R414-E418 PolarHBondContact O-N 3.27Å; M415-E418 PolarHBondContact O-N 3.46Å; E416-E418 VanDerWaalsContact C-N 3.33Å; E416-E418 PolarHBondContact O-N 2.92Å; E418-E420 PolarHBondContact O-N 3.3Å; E418-K421 PolarHBondContact O-N 3.48Å; E418-E422 PolarHBondContact O-N 2.97Å
419G70.9Confident68.5Low32 Ų32113.8 Ų113.833%0.3353%0.525SS..Hα-helixtrans-60.4-43.8173.900000113.5M415 E416 K421 E422 M423M415-G419 PolarHBondContact O-N 2.9Å; E416-G419 PolarHBondContact O-N 3.13Å; G419-K421 PolarHBondContact O-N 3.5Å; G419-E422 PolarHBondContact O-N 3.34Å; G419-M423 PolarHBondContact O-N 3.29Å
420E74.2Confident69.5Low111 Ų111115.4 Ų115.452%0.51953%0.531SS..Hα-helixtrans-62.5-40.3175.4-75.9-167.6176.100113.1E416 E418 K424E416-E420 PolarHBondContact O-N 2.99Å; E418-E420 PolarHBondContact O-N 3.3Å; E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3Å; E420-K424 VanDerWaalsContact O-N 3.08Å
421K73.8Confident70.4Confident121 Ų121115.9 Ų115.953%0.52654%0.539SS..Hα-helixtrans-65.4-43176.3-73.4165.4-168.6164.50110.7Q417 E418 G419 K424 I425Q417-K421 VanDerWaalsContact O-CD 3.27Å; Q417-K421 WeakPolarHBondContact O-CD 3.35Å; Q417-K421 WeakPolarHBondContact O-CG 3.46Å; Q417-K421 PolarHBondContact O-N 2.86Å; E418-K421 PolarHBondContact O-N 3.48Å; G419-K421 PolarHBondContact O-N 3.5Å; K421-K424 PolarHBondContact O-N 3.4Å; K421-I425 WeakPolarHBondContact O-CD1 3.25Å; K421-I425 VanDerWaalsContact O-CG1 3.28Å; K421-I425 WeakPolarHBondContact O-CG1 3.22Å; K421-I425 PolarHBondContact O-N 2.75Å
422E79.1Confident71.1Confident106 Ų106115.7 Ų115.750%0.49554%0.544SS..Hα-helixtrans-66.9-37.3179.8-146.4-162.4148.400112.2E418 G419 I425 K426E418-E422 PolarHBondContact O-N 2.97Å; G419-E422 PolarHBondContact O-N 3.34Å; E422-I425 PolarHBondContact O-N 2.76Å; E422-K426 VanDerWaalsContact CD-NZ 3.25Å; E422-K426 WeakPolarHBondContact O-CG 3.26Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 WeakPolarHBondContact OE1-CE 3.41Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 3.46Å; E422-K426 IonicContact OE2-NZ 3.71Å
423M76.7Confident71.7Confident132 Ų132116.8 Ų116.865%0.6555%0.549SS*.Hα-helixtrans-63.5-46.8172.3-76.1-152.3-79.600112.1G419 I425 K426 E427G419-M423 PolarHBondContact O-N 3.29Å; M423-I425 VanDerWaalsContact C-N 3.3Å; M423-I425 PolarHBondContact O-N 3.12Å; M423-K426 PolarHBondContact O-N 2.95Å; M423-K426 VanDerWaalsContact O-N 3.13Å; M423-E427 WeakPolarHBondContact O-CB 3.26Å; M423-E427 PolarHBondContact O-N 3.35Å
424K76.9Confident72.1Confident122 Ų122115.9 Ų115.953%0.5355%0.549SS..Hα-helixtrans-60.2-37.2176.6-75.8170.3178.81620112.6E420 K421 Q428E420-K424 WeakPolarHBondContact O-CG 3.46Å; E420-K424 PolarHBondContact O-N 3Å; E420-K424 VanDerWaalsContact O-N 3.08Å; K421-K424 PolarHBondContact O-N 3.4Å; K424-Q428 WeakPolarHBondContact O-CG 3.44Å; K424-Q428 PolarHBondContact O-N 2.98Å
425I80.1Confident72.1Confident83 Ų83117.3 Ų117.343%0.42656%0.56SS.*Hα-helixtrans-66.9-41.2175.2-69164.5000111.4K421 E422 M423 R429K421-I425 WeakPolarHBondContact O-CD1 3.25Å; K421-I425 VanDerWaalsContact O-CG1 3.28Å; K421-I425 WeakPolarHBondContact O-CG1 3.22Å; K421-I425 PolarHBondContact O-N 2.75Å; E422-I425 PolarHBondContact O-N 2.76Å; M423-I425 VanDerWaalsContact C-N 3.3Å; M423-I425 PolarHBondContact O-N 3.12Å; I425-R429 VanDerWaalsContact O-CG 3.3Å; I425-R429 WeakPolarHBondContact O-CG 3.48Å; I425-R429 PolarHBondContact O-N 2.87Å; I425-R429 VanDerWaalsContact O-N 3.13Å
426K77.4Confident72.1Confident115 Ų115120.3 Ų120.350%0.556%0.564SS.*Hα-helixtrans-66.7-40.4176.7-73.2167.9-175166.20111.9E422 M423 R429 K430E422-K426 VanDerWaalsContact CD-NZ 3.25Å; E422-K426 WeakPolarHBondContact O-CG 3.26Å; E422-K426 PolarHBondContact O-N 3.3Å; E422-K426 WeakPolarHBondContact OE1-CE 3.41Å; E422-K426 IonicContact OE1-NZ 3.84Å; E422-K426 PolarHBondContact OE1-NZ 3.46Å; E422-K426 IonicContact OE2-NZ 3.71Å; M423-K426 PolarHBondContact O-N 2.95Å; M423-K426 VanDerWaalsContact O-N 3.13Å; K426-R429 PolarHBondContact O-N 2.59Å; K426-K430 WeakPolarHBondContact O-CB 3.42Å; K426-K430 PolarHBondContact O-N 3.41Å
427E77.9Confident71.7Confident132 Ų132119.8 Ų119.862%0.61757%0.57SS**Hα-helixtrans-65.4-46177.9-170.4170.4-153.900112.1M423 R429 K430 T431M423-E427 WeakPolarHBondContact O-CB 3.26Å; M423-E427 PolarHBondContact O-N 3.35Å; E427-R429 PolarHBondContact O-N 2.67Å; E427-K430 PolarHBondContact O-N 2.95Å; E427-T431 PolarHBondContact O-N 3.04Å; E427-T431 PolarHBondContact O-OG1 3.15Å
428Q73.6Confident71.3Confident136 Ų136120 Ų12064%0.63658%0.581SS**Hα-helixtrans-60.3-42.3174.5-74.1177.82.200112.4K424 T431 T432K424-Q428 WeakPolarHBondContact O-CG 3.44Å; K424-Q428 PolarHBondContact O-N 2.98Å; Q428-T431 PolarHBondContact O-N 3.04Å; Q428-T432 WeakPolarHBondContact O-CB 3.32Å; Q428-T432 PolarHBondContact O-N 3.2Å; Q428-T432 PolarHBondContact O-OG1 3.06Å
429R74.4Confident70.2Confident175 Ų175125.9 Ų125.966%0.6661%0.605SS**Hα-helixtrans-60.4-46.2175.6-75.1174.4-178.1-171.51.8111.7I425 K426 E427 T431 T432 E433I425-R429 VanDerWaalsContact O-CG 3.3Å; I425-R429 WeakPolarHBondContact O-CG 3.48Å; I425-R429 PolarHBondContact O-N 2.87Å; I425-R429 VanDerWaalsContact O-N 3.13Å; K426-R429 PolarHBondContact O-N 2.59Å; E427-R429 PolarHBondContact O-N 2.67Å; R429-T431 PolarHBondContact O-N 2.77Å; R429-T432 WeakPolarHBondContact O-CB 3.43Å; R429-T432 PolarHBondContact O-N 3.3Å; R429-T432 VanDerWaalsContact O-N 3.12Å; R429-E433 PolarHBondContact O-N 2.92Å
430K75.9Confident70.1Confident140 Ų140130.6 Ų130.661%0.60962%0.619SS**Hα-helixtrans-61.3-43.9179.7-165.2174.5-175.7-179.40112.3K426 E427 T432 E433 I434K426-K430 WeakPolarHBondContact O-CB 3.42Å; K426-K430 PolarHBondContact O-N 3.41Å; E427-K430 PolarHBondContact O-N 2.95Å; K430-T432 VanDerWaalsContact C-N 3.31Å; K430-T432 PolarHBondContact O-N 3.45Å; K430-E433 PolarHBondContact O-N 3.4Å; K430-I434 HydrophobicContact CG-CD1 4.26Å; K430-I434 WeakPolarHBondContact O-CD1 3.16Å; K430-I434 VanDerWaalsContact O-CG1 3.3Å; K430-I434 WeakPolarHBondContact O-CG1 3.48Å; K430-I434 PolarHBondContact O-N 3.13Å
431T70.4Confident69.9Low87 Ų87131.6 Ų131.653%0.53462%0.624SS.*Hα-helixtrans-64.4-36175.1-56.50000112E427 Q428 R429 H435E427-T431 PolarHBondContact O-N 3.04Å; E427-T431 PolarHBondContact O-OG1 3.15Å; Q428-T431 PolarHBondContact O-N 3.04Å; R429-T431 PolarHBondContact O-N 2.77Å; T431-H435 PolarHBondContact O-N 3.4Å; T431-H435 VanDerWaalsContact O-N 3.14Å
432T69.5Low69.7Low85 Ų85132.2 Ų132.252%0.52163%0.63SS.*Hα-helixtrans-71.3-34177.6-47.80000112.5Q428 R429 K430 R436Q428-T432 WeakPolarHBondContact O-CB 3.32Å; Q428-T432 PolarHBondContact O-N 3.2Å; Q428-T432 PolarHBondContact O-OG1 3.06Å; R429-T432 WeakPolarHBondContact O-CB 3.43Å; R429-T432 PolarHBondContact O-N 3.3Å; R429-T432 VanDerWaalsContact O-N 3.12Å; K430-T432 VanDerWaalsContact C-N 3.31Å; K430-T432 PolarHBondContact O-N 3.45Å; T432-R436 PolarHBondContact O-N 3.38Å
433E68.7Low69.2Low132 Ų132133.7 Ų133.762%0.61764%0.638SS**Hα-helixtrans-69-44.1173.3-78.9-177.7130.600112.4R429 K430 H435 R436 T437R429-E433 PolarHBondContact O-N 2.92Å; K430-E433 PolarHBondContact O-N 3.4Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.98Å; E433-R436 WeakPolarHBondContact O-CA 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.21Å; E433-R436 PolarHBondContact O-N 3.12Å; E433-T437 PolarHBondContact O-N 2.83Å; E433-T437 PolarHBondContact O-OG1 3.24Å; E433-T437 VanDerWaalsContact O-OG1 3.13Å
434I66.5Low68.7Low94 Ų94133.8 Ų133.848%0.48264%0.637SS.*Hα-helixtrans-60.6-38.7176.8-66.3163.1000110.8K430 R436 T437K430-I434 HydrophobicContact CG-CD1 4.26Å; K430-I434 WeakPolarHBondContact O-CD1 3.16Å; K430-I434 VanDerWaalsContact O-CG1 3.3Å; K430-I434 WeakPolarHBondContact O-CG1 3.48Å; K430-I434 PolarHBondContact O-N 3.13Å; I434-R436 PolarHBondContact O-N 3.07Å; I434-T437 PolarHBondContact O-N 2.9Å; I434-T437 PolarHBondContact O-OG1 3.07Å
435H60.8Low68.1Low156 Ų156134.6 Ų134.672%0.72264%0.644SS**Hα-helixtrans-72.3-14.4176.2-130.875.9000114T431 E433T431-H435 PolarHBondContact O-N 3.4Å; T431-H435 VanDerWaalsContact O-N 3.14Å; E433-H435 VanDerWaalsContact C-N 3.27Å; E433-H435 PolarHBondContact O-N 2.98Å
436R65.1Low67.3Low205 Ų205138.3 Ų138.377%0.77466%0.659SS**Hα-helixtrans-90.8-19.8174.7-98.9-177.1173.7171.6-1.2113.8T432 E433 I434T432-R436 PolarHBondContact O-N 3.38Å; E433-R436 WeakPolarHBondContact O-CA 3.48Å; E433-R436 WeakPolarHBondContact O-CB 3.21Å; E433-R436 PolarHBondContact O-N 3.12Å; I434-R436 PolarHBondContact O-N 3.07Å
437T59.8Low66.5Low115 Ų115140.1 Ų140.171%0.70667%0.672SS**Hα-helixtrans-98.1-6.4-179.340.20000114.3E433 I434E433-T437 PolarHBondContact O-N 2.83Å; E433-T437 PolarHBondContact O-OG1 3.24Å; E433-T437 VanDerWaalsContact O-OG1 3.13Å; I434-T437 PolarHBondContact O-N 2.9Å; I434-T437 PolarHBondContact O-OG1 3.07Å
438C54.2Low65.6Low113 Ų113140.8 Ų140.876%0.76468%0.676SS**  trans-10325.5173.7-65.60000113.7
439K48Very low64.8Low251 Ų251141.2 Ų141.2100%1.09168%0.68SS**  trans-1360179.5-129.4-172.9-174.4-176.20110.7

Retrieved 439 of 439 residues in 537.2 ms (Link to these results)