A0A087WQC4_MOUSE Loading...

TATA-box binding protein associated factor 6 like

AlphaFold DB , UniProt , Accession A0A087WQC4, Species MOUSE (Mus musculus, Mouse), Gene Taf6l, Length 597 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1C31.4Very low35.2Very low189 Ų189146.7 Ų146.7100%1.27787%0.867SS**  0132.10-51.60000107.5
2S33.1Very low36.1Very low114 Ų114149.1 Ų149.180%0.79786%0.863SS**  cis-142.5122.58.837.10000111.2
3S34.3Very low37.1Very low117 Ų117155.2 Ų155.282%0.81886%0.863SS**  trans-89.4119.5166.251.60000110.1
4T33.7Very low38.8Very low142 Ų142159.8 Ų159.887%0.87186%0.861SS**  trans-175.8130.7162.229.70000106.7
5G31.5Very low40.7Very low69 Ų69158.5 Ų158.571%0.71184%0.844SS**  cis-176.681.6-4.500000108.9M7G5-M7 VanDerWaalsContact C-N 3.3Å; G5-M7 PolarHBondContact O-N 2.96Å
6A32.7Very low42.8Very low106 Ų106157.3 Ų157.388%0.87684%0.844SS**  trans-69.194.5168.400000107.8S8A6-S8 PolarHBondContact O-N 2.68Å
7M30.3Very low45.1Very low178 Ų178154.5 Ų154.588%0.87783%0.825SS**  trans-63.494.2159.7-81-176.554.700106.6G5 E9G5-M7 VanDerWaalsContact C-N 3.3Å; G5-M7 PolarHBondContact O-N 2.96Å; M7-E9 PolarHBondContact O-N 3.22Å
8S36.2Very low47.5Very low109 Ų109148.7 Ų148.776%0.76279%0.793SS**  trans-51.7115154.9-177.10000105.5A6 R10A6-S8 PolarHBondContact O-N 2.68Å; S8-R10 PolarHBondContact O-N 2.91Å; S8-R10 VanDerWaalsContact O-N 3.15Å
9E38.2Very low49.7Very low173 Ų173144.5 Ų144.581%0.80878%0.775SS**  trans-48.3127.4160.3-67.4178.914200105.7M7 E11M7-E9 PolarHBondContact O-N 3.22Å; E9-E11 PolarHBondContact O-N 3.35Å; E9-E11 VanDerWaalsContact O-N 3.14Å
10R39.4Very low51.7Low230 Ų230142.9 Ų142.987%0.86876%0.757SS**  trans-58.9123.2162-83.4176.2166.7175.8-2.8103.8S8 E12S8-R10 PolarHBondContact O-N 2.91Å; S8-R10 VanDerWaalsContact O-N 3.15Å; R10-E12 VanDerWaalsContact C-N 3.25Å; R10-E12 PolarHBondContact O-N 3.19Å
11E46.9Very low53.5Low187 Ų187141.6 Ų141.687%0.87475%0.747SS**  trans-49.4105.8154.8-71.2179.7132.100105.8E9 R13E9-E11 PolarHBondContact O-N 3.35Å; E9-E11 VanDerWaalsContact O-N 3.14Å; E11-R13 PolarHBondContact O-N 2.9Å
12E46Very low56.3Low175 Ų175135.4 Ų135.482%0.81871%0.706SS**  trans-54131.2166.8-69.8-163.8132.700105R10 R14R10-E12 VanDerWaalsContact C-N 3.25Å; R10-E12 PolarHBondContact O-N 3.19Å; E12-R14 PolarHBondContact O-N 3.2Å
13R49.2Very low59.1Low229 Ų229131 Ų13186%0.86467%0.674SS**  trans-67.982.4-178.9-70.4178.8176.9176.2-2.6107.4E11 F15E11-R13 PolarHBondContact O-N 2.9Å; R13-F15 PolarHBondContact O-N 3.47Å
14R60.3Low61.8Low219 Ų219128.4 Ų128.483%0.82665%0.647SS**  trans-55.8110.1-178.7-165.4174.3-173.9-179.82.4105.3E12 V16E12-R14 PolarHBondContact O-N 3.2Å; R14-V16 PolarHBondContact O-N 3.43Å
15F67.4Low64.5Low140 Ų140125.8 Ų125.861%0.61463%0.627SS**  trans-61.1140.3-178.4-64.5-81000106.8R13 E17R13-F15 PolarHBondContact O-N 3.47Å; F15-E17 PolarHBondContact O-N 2.98Å
16V73.8Confident67.3Low140 Ų140128.8 Ų128.885%0.84862%0.624SS**  trans-62.6114.2172.2-178.90000106.6R14R14-V16 PolarHBondContact O-N 3.43Å
17E82.5Confident70.2Confident109 Ų109124.3 Ų124.351%0.50959%0.587SS.*  trans-105.5136.8176.5-77.7157.3-168.400107.4F15F15-E17 PolarHBondContact O-N 2.98Å
18I87.9Confident73.2Confident51 Ų51120.7 Ų120.726%0.26257%0.568SS.*  trans-68.6129.1172.4-71.3168.1000106.7R20 V23 V46 C47 L50I18-R20 PolarHBondContact O-N 3.01Å; I18-V23 HydrophobicContact CG2-CG2 4.11Å; I18-V46 HydrophobicContact CD1-CB 4.44Å; I18-V46 HydrophobicContact CD1-CG1 3.62Å; I18-C47 PolarHBondContact N-SG 2.8Å; I18-L50 HydrophobicContact CD1-CD1 3.49Å; I18-L50 VanDerWaalsContact CD1-CD1 3.49Å
19P89.3Confident75.8Confident69 Ų69119.8 Ų119.845%0.44856%0.562SS.*  trans-66137.8178.527.6-33.4000109.8E21 S22P19-E21 PolarHBondContact O-N 3.38Å; P19-S22 WeakPolarHBondContact CG-OG 3.23Å; P19-S22 PolarHBondContact O-N 3.25Å
20R90.2Very high78.4Confident111 Ų111116.2 Ų116.242%0.41955%0.552SS.*Hα-helixtrans-50.4-29.6174.561.1-176.8174-172.9-7.2113.2I18 V23 R24 D36 A39I18-R20 PolarHBondContact O-N 3.01Å; R20-V23 PolarHBondContact O-N 2.94Å; R20-R24 PolarHBondContact O-N 3.44Å; R20-D36 IonicContact CZ-OD1 3.52Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 3.88Å; R20-D36 IonicContact NH1-OD1 2.8Å; R20-D36 PolarHBondContact NH1-OD1 3.44Å; R20-D36 IonicContact NH1-OD2 2.72Å; R20-D36 PolarHBondContact NH1-OD2 3.31Å; R20-A39 HydrophobicContact CB-CB 4.24Å
21E89.6Confident80.9Confident117 Ų117108.6 Ų108.655%0.54755%0.545SS..Hα-helixtrans-63.2-40.5175.4-72.8152-145.700112.5P19 V23 R24 L25P19-E21 PolarHBondContact O-N 3.38Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; E21-R24 PolarHBondContact O-N 3.4Å; E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 VanDerWaalsContact O-CG 3.32Å; E21-L25 WeakPolarHBondContact O-CG 3.43Å; E21-L25 PolarHBondContact O-N 3.34Å
22S90.1Very high83.1Confident59 Ų59104.7 Ų104.741%0.41353%0.529SS..Hα-helixtrans-66.1-31.7173.7-62.30000112.7P19 M26P19-S22 WeakPolarHBondContact CG-OG 3.23Å; P19-S22 PolarHBondContact O-N 3.25Å; S22-M26 WeakPolarHBondContact O-CB 3.43Å; S22-M26 PolarHBondContact O-N 2.67Å; S22-M26 VanDerWaalsContact O-N 3.14Å
23V91.8Very high85.4Confident21 Ų21105.3 Ų105.313%0.12753%0.532CS..Hα-helixtrans-71.9-39.8175.4-178.20000110.9I18 R20 E21 M26 A27 L34 L42 A43I18-V23 HydrophobicContact CG2-CG2 4.11Å; R20-V23 PolarHBondContact O-N 2.94Å; E21-V23 VanDerWaalsContact C-N 3.29Å; E21-V23 PolarHBondContact O-N 3.11Å; V23-M26 PolarHBondContact O-N 2.98Å; V23-A27 PolarHBondContact O-N 3.22Å; V23-A27 VanDerWaalsContact O-N 3.1Å; V23-L34 HydrophobicContact CG1-CD1 4.27Å; V23-L42 HydrophobicContact CG1-CB 3.86Å; V23-L42 HydrophobicContact CG1-CD1 4.3Å; V23-A43 HydrophobicContact CG2-CB 3.9Å
24R91.6Very high87.4Confident63 Ų6396.5 Ų96.524%0.23850%0.502CS..Hα-helixtrans-60.7-53.2171.7-78.6-171.6170.4124.8-3.3112.4R20 E21 M26 A27 E28 L34 D36 A39R20-R24 PolarHBondContact O-N 3.44Å; E21-R24 PolarHBondContact O-N 3.4Å; R24-M26 PolarHBondContact O-N 2.81Å; R24-A27 CarbonylContact O-C 3.58Å; R24-A27 WeakPolarHBondContact O-CA 3.43Å; R24-A27 WeakPolarHBondContact O-CB 3.44Å; R24-A27 PolarHBondContact O-N 2.93Å; R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 3.36Å; R24-L34 HydrophobicContact CG-CB 4.49Å; R24-L34 PolarHBondContact NE-O 3.45Å; R24-D36 IonicContact CZ-OD1 3.06Å; R24-D36 VanDerWaalsContact CZ-OD1 3.23Å; R24-D36 IonicContact NH1-OD1 3.88Å; R24-D36 PolarHBondContact NH1-OD1 3.46Å; R24-D36 IonicContact NH2-OD1 3.2Å; R24-D36 PolarHBondContact NH2-OD1 3Å; R24-A39 HydrophobicContact CG-CB 3.97Å
25L89.7Confident89Confident87 Ų8789.3 Ų89.346%0.45549%0.485SS..Hα-helixtrans-56.9-36.6179.2-71.3168.6000112E21 S29 L105E21-L25 WeakPolarHBondContact O-CB 3.38Å; E21-L25 VanDerWaalsContact O-CG 3.32Å; E21-L25 WeakPolarHBondContact O-CG 3.43Å; E21-L25 PolarHBondContact O-N 3.34Å; L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.44Å; L25-L105 HydrophobicContact CD1-CD2 4.33Å
26M90.7Very high90.2Very high131 Ų13185.6 Ų85.665%0.64547%0.472SS*.Hα-helixtrans-65.7-41.8173.9-168.264.463.400112S22 V23 R24 S29 T30S22-M26 WeakPolarHBondContact O-CB 3.43Å; S22-M26 PolarHBondContact O-N 2.67Å; S22-M26 VanDerWaalsContact O-N 3.14Å; V23-M26 PolarHBondContact O-N 2.98Å; R24-M26 PolarHBondContact O-N 2.81Å; M26-S29 PolarHBondContact O-N 3.49Å; M26-S29 PolarHBondContact O-OG 3.47Å; M26-T30 PolarHBondContact O-N 3.17Å
27A93.4Very high91.1Very high12 Ų1286.3 Ų86.310%0.09947%0.466CS..Hα-helixtrans-67.7-42.5175.800000112.3V23 R24 S29 T30 G31 L32 L34V23-A27 PolarHBondContact O-N 3.22Å; V23-A27 VanDerWaalsContact O-N 3.1Å; R24-A27 CarbonylContact O-C 3.58Å; R24-A27 WeakPolarHBondContact O-CA 3.43Å; R24-A27 WeakPolarHBondContact O-CB 3.44Å; R24-A27 PolarHBondContact O-N 2.93Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.2Å; A27-T30 CarbonylContact O-C 3.41Å; A27-T30 WeakPolarHBondContact O-CA 3.48Å; A27-T30 PolarHBondContact O-N 3.14Å; A27-T30 PolarHBondContact O-OG1 3.47Å; A27-G31 PolarHBondContact O-N 3.05Å; A27-L32 CarbonylContact C-O 3.46Å; A27-L32 HydrophobicContact CB-CB 4.3Å; A27-L32 WeakPolarHBondContact CB-O 3.43Å; A27-L32 PolarHBondContact O-N 2.9Å; A27-L34 HydrophobicContact CB-CD1 3.46Å; A27-L34 VanDerWaalsContact CB-CD1 3.46Å; A27-L34 HydrophobicContact CB-CG 3.62Å
28E92.4Very high91.6Very high102 Ų10284.2 Ų84.248%0.47746%0.46SS..Hα-helixtrans-59.4-38.1175-71.7164.3-154.400111.1R24 T30 G31 L32R24-E28 WeakPolarHBondContact O-CG 3.26Å; R24-E28 PolarHBondContact O-N 3.36Å; E28-T30 PolarHBondContact O-N 3Å; E28-G31 PolarHBondContact O-N 3.29Å; E28-L32 PolarHBondContact N-O 3.41Å
29S91.1Very high91.9Very high91 Ų9181.8 Ų81.864%0.63645%0.448SS*.Hα-helixtrans-62.3-22.8173.483.90000114L25 M26 A27L25-S29 WeakPolarHBondContact O-CB 3.42Å; L25-S29 PolarHBondContact O-N 3.44Å; M26-S29 PolarHBondContact O-N 3.49Å; M26-S29 PolarHBondContact O-OG 3.47Å; A27-S29 VanDerWaalsContact C-N 3.27Å; A27-S29 PolarHBondContact O-N 3.2Å
30T93.4Very high91.9Very high97 Ų9780.3 Ų80.360%0.59544%0.441SS*.THydrogen-bonded Turntrans-94.73.5172.364.40000113.7M26 A27 E28M26-T30 PolarHBondContact O-N 3.17Å; A27-T30 CarbonylContact O-C 3.41Å; A27-T30 WeakPolarHBondContact O-CA 3.48Å; A27-T30 PolarHBondContact O-N 3.14Å; A27-T30 PolarHBondContact O-OG1 3.47Å; E28-T30 PolarHBondContact O-N 3Å
31G92.6Very high92Very high70 Ų7080.7 Ų80.772%0.72245%0.451SS*.THydrogen-bonded Turntrans79.624.6-177.900000114.7A27 E28A27-G31 PolarHBondContact O-N 3.05Å; E28-G31 PolarHBondContact O-N 3.29Å
32L93.3Very high92.2Very high105 Ų10578.8 Ų78.855%0.5544%0.444SS..  trans-119.9130.7-177.3-62.8176.3000112A27 E28A27-L32 CarbonylContact C-O 3.46Å; A27-L32 HydrophobicContact CB-CB 4.3Å; A27-L32 WeakPolarHBondContact CB-O 3.43Å; A27-L32 PolarHBondContact O-N 2.9Å; E28-L32 PolarHBondContact N-O 3.41Å
33E92.5Very high92.3Very high188 Ų18876.4 Ų76.488%0.87943%0.428SS*.  trans-91.8135.6171.7-65.2-178.4175.800110.9
34L92.4Very high92.3Very high45 Ų4581.5 Ų81.524%0.23645%0.451CS..  trans-118133179.9-65.9-179.1000112.7V23 R24 A27 V38 A39 L42V23-L34 HydrophobicContact CG1-CD1 4.27Å; R24-L34 HydrophobicContact CG-CB 4.49Å; R24-L34 PolarHBondContact NE-O 3.45Å; A27-L34 HydrophobicContact CB-CD1 3.46Å; A27-L34 VanDerWaalsContact CB-CD1 3.46Å; A27-L34 HydrophobicContact CB-CG 3.62Å; L34-V38 HydrophobicContact CD2-CG1 4.08Å; L34-A39 HydrophobicContact CB-CB 4.43Å; L34-L42 HydrophobicContact CD1-CD1 4.01Å
35S94.4Very high92.3Very high67 Ų6782.3 Ų82.347%0.46946%0.46SS..  trans-64.5157168.971.20000111.6E37 V38 A39S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.37Å; S35-V38 PolarHBondContact O-N 3.24Å; S35-V38 WeakPolarHBondContact OG-CG2 3.41Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 3.37Å
36D91.1Very high92.4Very high62 Ų6281.2 Ų81.233%0.33246%0.457SS..Hα-helixtrans-60.8-40.3-176.6-15468.8000112.8R20 R24 A39 A40R20-D36 IonicContact CZ-OD1 3.52Å; R20-D36 IonicContact CZ-OD2 2.69Å; R20-D36 IonicContact NE-OD1 3.88Å; R20-D36 IonicContact NH1-OD1 2.8Å; R20-D36 PolarHBondContact NH1-OD1 3.44Å; R20-D36 IonicContact NH1-OD2 2.72Å; R20-D36 PolarHBondContact NH1-OD2 3.31Å; R24-D36 IonicContact CZ-OD1 3.06Å; R24-D36 VanDerWaalsContact CZ-OD1 3.23Å; R24-D36 IonicContact NH1-OD1 3.88Å; R24-D36 PolarHBondContact NH1-OD1 3.46Å; R24-D36 IonicContact NH2-OD1 3.2Å; R24-D36 PolarHBondContact NH2-OD1 3Å; D36-A39 PolarHBondContact O-N 2.91Å; D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.98Å
37E93.4Very high92.5Very high155 Ų15575.2 Ų75.272%0.72443%0.428SS*.Hα-helixtrans-63.5-44.1178.8-59.8177.8174.400111.8S35 A40 L41S35-E37 VanDerWaalsContact C-N 3.31Å; S35-E37 PolarHBondContact O-N 3.37Å; E37-A40 PolarHBondContact O-N 2.97Å; E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.1Å
38V93.6Very high92.4Very high65 Ų6581 Ų8139%0.39445%0.448SS..Hα-helixtrans-70.6-41.3179.2175.50000110.9L34 S35 A40 L41 L42L34-V38 HydrophobicContact CD2-CG1 4.08Å; S35-V38 PolarHBondContact O-N 3.24Å; S35-V38 WeakPolarHBondContact OG-CG2 3.41Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 3.47Å; V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.28Å; V38-L42 PolarHBondContact O-N 2.75Å
39A92.9Very high92.3Very high0 Ų082.5 Ų82.50%045%0.449CS..Hα-helixtrans-62.9-38176.100000112.3R20 R24 L34 S35 D36 A43R20-A39 HydrophobicContact CB-CB 4.24Å; R24-A39 HydrophobicContact CG-CB 3.97Å; L34-A39 HydrophobicContact CB-CB 4.43Å; S35-A39 WeakPolarHBondContact O-CB 3.45Å; S35-A39 PolarHBondContact O-N 3.37Å; D36-A39 PolarHBondContact O-N 2.91Å; A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.91Å
40A90.5Very high92.3Very high38 Ų3881.9 Ų81.931%0.31444%0.438SS..Hα-helixtrans-65.7-49.5175.400000112.3D36 E37 V38 L42 A43 E44D36-A40 WeakPolarHBondContact O-CB 3.33Å; D36-A40 PolarHBondContact O-N 2.98Å; E37-A40 PolarHBondContact O-N 2.97Å; V38-A40 VanDerWaalsContact C-N 3.33Å; V38-A40 PolarHBondContact O-N 3.1Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.29Å; A40-A43 WeakPolarHBondContact O-CB 3.39Å; A40-A43 PolarHBondContact O-N 3.29Å; A40-E44 PolarHBondContact O-N 3.23Å; A40-E44 VanDerWaalsContact O-N 3.07Å
41L92.6Very high92.2Very high119 Ų11982 Ų8262%0.62343%0.428SS*.Hα-helixtrans-62.4-39.1178.8-69.8172000112.5E37 V38 E44 D45E37-L41 WeakPolarHBondContact O-CG 3.37Å; E37-L41 PolarHBondContact O-N 2.94Å; E37-L41 VanDerWaalsContact O-N 3.1Å; V38-L41 PolarHBondContact O-N 3.47Å; L41-E44 PolarHBondContact O-N 2.93Å; L41-D45 PolarHBondContact O-N 2.88Å
42L93.4Very high92.2Very high77 Ų7781.7 Ų81.740%0.40341%0.408SS..Hα-helixtrans-66.4-40.4174.4-74.9171.1000112V23 L34 V38 A40 E44 D45 V46V23-L42 HydrophobicContact CG1-CB 3.86Å; V23-L42 HydrophobicContact CG1-CD1 4.3Å; L34-L42 HydrophobicContact CD1-CD1 4.01Å; V38-L42 HydrophobicContact CG1-CD1 3.85Å; V38-L42 HydrophobicContact CG1-CG 4.4Å; V38-L42 WeakPolarHBondContact O-CB 3.44Å; V38-L42 WeakPolarHBondContact O-CG 3.28Å; V38-L42 PolarHBondContact O-N 2.75Å; A40-L42 VanDerWaalsContact C-N 3.34Å; A40-L42 PolarHBondContact O-N 3.29Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.09Å; L42-D45 PolarHBondContact O-N 2.96Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 3.14Å
43A91.9Very high92.2Very high9 Ų977 Ų777%0.07438%0.384CS..Hα-helixtrans-59.5-42.2175.500000111.8V23 A39 A40 C47V23-A43 HydrophobicContact CG2-CB 3.9Å; A39-A43 WeakPolarHBondContact O-CB 3.32Å; A39-A43 PolarHBondContact O-N 2.91Å; A40-A43 WeakPolarHBondContact O-CB 3.39Å; A40-A43 PolarHBondContact O-N 3.29Å; A43-C47 WeakPolarHBondContact O-CB 3.5Å; A43-C47 PolarHBondContact O-N 2.96Å; A43-C47 PolarHBondContact O-SG 3.4Å
44E90.8Very high92.3Very high128 Ų12871.6 Ų71.660%0.59836%0.364SS*.Hα-helixtrans-62.2-46.5176.3-72.8-173.4-17000113.1A40 L41 L42 C47 Y48A40-E44 PolarHBondContact O-N 3.23Å; A40-E44 VanDerWaalsContact O-N 3.07Å; L41-E44 PolarHBondContact O-N 2.93Å; L42-E44 VanDerWaalsContact C-N 3.31Å; L42-E44 PolarHBondContact O-N 3.09Å; E44-C47 WeakPolarHBondContact O-CB 3.48Å; E44-C47 PolarHBondContact O-N 2.71Å; E44-Y48 PolarHBondContact O-N 3.15Å
45D92.5Very high92.4Very high81 Ų8174.5 Ų74.543%0.43338%0.376SS..Hα-helixtrans-66.3-44178.8-172.554.8000111.6L41 L42 C47 Y48 R49L41-D45 PolarHBondContact O-N 2.88Å; L42-D45 PolarHBondContact O-N 2.96Å; D45-C47 VanDerWaalsContact C-N 3.27Å; D45-C47 PolarHBondContact O-N 2.82Å; D45-Y48 WeakPolarHBondContact O-CA 3.44Å; D45-Y48 WeakPolarHBondContact O-CB 3.41Å; D45-Y48 PolarHBondContact O-N 2.88Å; D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 2.98Å; D45-R49 IonicContact OD1-NE 2.91Å
46V92.4Very high92.4Very high64 Ų6473.4 Ų73.439%0.38837%0.365SS..Hα-helixtrans-59.1-41175.4177.60000110.7I18 L42 R49 L50I18-V46 HydrophobicContact CD1-CB 4.44Å; I18-V46 HydrophobicContact CD1-CG1 3.62Å; L42-V46 VanDerWaalsContact O-CG2 3.29Å; L42-V46 WeakPolarHBondContact O-CG2 3.35Å; L42-V46 PolarHBondContact O-N 3.14Å; V46-R49 PolarHBondContact O-N 2.75Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 WeakPolarHBondContact O-CG 3.3Å; V46-L50 PolarHBondContact O-N 2.74Å
47C90.9Very high92.6Very high5 Ų570.5 Ų70.53%0.03435%0.349CS..Hα-helixtrans-64.1-39.7174.1-69.40000112.7I18 A43 E44 D45 R51I18-C47 PolarHBondContact N-SG 2.8Å; A43-C47 WeakPolarHBondContact O-CB 3.5Å; A43-C47 PolarHBondContact O-N 2.96Å; A43-C47 PolarHBondContact O-SG 3.4Å; E44-C47 WeakPolarHBondContact O-CB 3.48Å; E44-C47 PolarHBondContact O-N 2.71Å; D45-C47 VanDerWaalsContact C-N 3.27Å; D45-C47 PolarHBondContact O-N 2.82Å; C47-R51 WeakPolarHBondContact O-CB 3.25Å; C47-R51 VanDerWaalsContact O-CG 3.26Å; C47-R51 WeakPolarHBondContact O-CG 3.35Å; C47-R51 PolarHBondContact O-N 2.97Å; C47-R51 PolarHBondContact O-NE 2.95Å; C47-R51 VanDerWaalsContact O-NE 3.13Å
48Y91.2Very high92.8Very high133 Ų13364.2 Ų64.252%0.52232%0.323SS..Hα-helixtrans-60.3-48173.1177.2-95.8000111.5E44 D45 L50 R51 E52E44-Y48 PolarHBondContact O-N 3.15Å; D45-Y48 WeakPolarHBondContact O-CA 3.44Å; D45-Y48 WeakPolarHBondContact O-CB 3.41Å; D45-Y48 PolarHBondContact O-N 2.88Å; Y48-L50 PolarHBondContact O-N 3.26Å; Y48-R51 PolarHBondContact O-N 3.09Å; Y48-E52 PolarHBondContact O-N 3.27Å
49R91.3Very high92.8Very high133 Ų13364.7 Ų64.750%0.50232%0.321SS..Hα-helixtrans-62-41.7178.4-65-53.6-174.7164.79113.3D45 V46 E52 A53D45-R49 WeakPolarHBondContact O-CG 3.36Å; D45-R49 PolarHBondContact O-N 2.98Å; D45-R49 IonicContact OD1-NE 2.91Å; V46-R49 PolarHBondContact O-N 2.75Å; R49-E52 IonicContact NH1-OE2 3.23Å; R49-E52 PolarHBondContact NH1-OE2 3.43Å; R49-E52 PolarHBondContact O-N 3.24Å; R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.06Å
50L91.2Very high93Very high79 Ų7967.3 Ų67.341%0.41433%0.332SS..Hα-helixtrans-65.8-39175.4-73.6171.4000112.2I18 V46 Y48 A53 T54I18-L50 HydrophobicContact CD1-CD1 3.49Å; I18-L50 VanDerWaalsContact CD1-CD1 3.49Å; V46-L50 HydrophobicContact CG1-CD1 4.11Å; V46-L50 WeakPolarHBondContact O-CG 3.3Å; V46-L50 PolarHBondContact O-N 2.74Å; Y48-L50 PolarHBondContact O-N 3.26Å; L50-A53 PolarHBondContact O-N 3.31Å; L50-T54 VanDerWaalsContact O-CB 3.25Å; L50-T54 WeakPolarHBondContact O-CB 3.39Å; L50-T54 PolarHBondContact O-N 2.87Å; L50-T54 PolarHBondContact O-OG1 3.23Å
51R91.4Very high93.3Very high98 Ų9866.6 Ų66.637%0.3732%0.323SS..Hα-helixtrans-64.7-41.3173.8-73179.9-75.9-125.113.9111.4C47 Y48 Q55C47-R51 WeakPolarHBondContact O-CB 3.25Å; C47-R51 VanDerWaalsContact O-CG 3.26Å; C47-R51 WeakPolarHBondContact O-CG 3.35Å; C47-R51 PolarHBondContact O-N 2.97Å; C47-R51 PolarHBondContact O-NE 2.95Å; C47-R51 VanDerWaalsContact O-NE 3.13Å; Y48-R51 PolarHBondContact O-N 3.09Å; R51-Q55 VanDerWaalsContact O-CB 3.31Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 PolarHBondContact O-N 2.96Å
52E92.4Very high93.4Very high65 Ų6566.1 Ų66.130%0.30432%0.316SS..Hα-helixtrans-60.1-51.6173.4179.6173.7-143.200111.9Y48 R49 T54 Q55 N56Y48-E52 PolarHBondContact O-N 3.27Å; R49-E52 IonicContact NH1-OE2 3.23Å; R49-E52 PolarHBondContact NH1-OE2 3.43Å; R49-E52 PolarHBondContact O-N 3.24Å; E52-T54 PolarHBondContact O-N 3.24Å; E52-Q55 PolarHBondContact O-N 3.04Å; E52-N56 WeakPolarHBondContact O-CB 3.37Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.5Å; E52-N56 PolarHBondContact O-ND2 3.33Å
53A93.5Very high93.4Very high7 Ų769.8 Ų69.86%0.05833%0.33CS..Hα-helixtrans-63.2-4017900000112.9R49 L50 N56 S57 F74R49-A53 WeakPolarHBondContact O-CB 3.42Å; R49-A53 PolarHBondContact O-N 3.06Å; L50-A53 PolarHBondContact O-N 3.31Å; A53-N56 PolarHBondContact O-N 3.44Å; A53-S57 WeakPolarHBondContact O-CB 3.35Å; A53-S57 PolarHBondContact O-N 2.81Å; A53-S57 PolarHBondContact O-OG 3.46Å; A53-F74 HydrophobicContact CB-CE1 4.45Å; A53-F74 HydrophobicContact CB-CE2 4.03Å; A53-F74 HydrophobicContact CB-CZ 3.74Å
54T93.6Very high93.5Very high74 Ų7472 Ų7245%0.45434%0.343SS..Hα-helixtrans-66.2-40.6176.6-57.40000111.6L50 E52 S57 S58L50-T54 VanDerWaalsContact O-CB 3.25Å; L50-T54 WeakPolarHBondContact O-CB 3.39Å; L50-T54 PolarHBondContact O-N 2.87Å; L50-T54 PolarHBondContact O-OG1 3.23Å; E52-T54 PolarHBondContact O-N 3.24Å; T54-S57 WeakPolarHBondContact CA-OG 3.45Å; T54-S57 PolarHBondContact O-OG 2.91Å; T54-S58 WeakPolarHBondContact O-CB 3.29Å; T54-S58 PolarHBondContact O-N 2.94Å
55Q94.4Very high93.6Very high106 Ų10674.8 Ų74.850%0.49535%0.353SS..Hα-helixtrans-66.8-42.5176.3176.764-10.300111.6R51 E52 S58 Q59R51-Q55 VanDerWaalsContact O-CB 3.31Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 PolarHBondContact O-N 2.96Å; E52-Q55 PolarHBondContact O-N 3.04Å; Q55-S58 WeakPolarHBondContact O-CB 3.46Å; Q55-S58 PolarHBondContact O-N 2.99Å; Q55-Q59 PolarHBondContact O-N 3.03Å
56N95.1Very high93.7Very high44 Ų4474.8 Ų74.824%0.23535%0.347CS..Hα-helixtrans-66.6-43.4178.7-72.2-20.2000112.1E52 A53 S58 Q59 F60 A77E52-N56 WeakPolarHBondContact O-CB 3.37Å; E52-N56 VanDerWaalsContact O-CG 3.32Å; E52-N56 PolarHBondContact O-N 3.5Å; E52-N56 PolarHBondContact O-ND2 3.33Å; A53-N56 PolarHBondContact O-N 3.44Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 2.86Å; N56-Q59 WeakPolarHBondContact O-CB 3.35Å; N56-Q59 PolarHBondContact O-N 3.31Å; N56-F60 VanDerWaalsContact O-CD2 3.28Å; N56-F60 WeakPolarHBondContact O-CD2 3.42Å; N56-F60 PolarHBondContact O-N 3.22Å; N56-A77 HydrophobicContact CB-CB 3.86Å
57S96.3Very high93.7Very high0 Ų083.4 Ų83.40%037%0.372CS..Hα-helixtrans-64.4-34.5174.753.50000112.8A53 T54 Q59 F60 M61 D73A53-S57 WeakPolarHBondContact O-CB 3.35Å; A53-S57 PolarHBondContact O-N 2.81Å; A53-S57 PolarHBondContact O-OG 3.46Å; T54-S57 WeakPolarHBondContact CA-OG 3.45Å; T54-S57 PolarHBondContact O-OG 2.91Å; S57-Q59 PolarHBondContact O-N 3.37Å; S57-F60 PolarHBondContact O-N 3.43Å; S57-M61 PolarHBondContact O-N 2.99Å; S57-D73 WeakPolarHBondContact CB-O 3.1Å
58S96.1Very high93.8Very high23 Ų2391.5 Ų91.516%0.16141%0.407CS..Hα-helixtrans-58.3-33.8169.6-166.10000112.8T54 Q55 N56 K62T54-S58 WeakPolarHBondContact O-CB 3.29Å; T54-S58 PolarHBondContact O-N 2.94Å; Q55-S58 WeakPolarHBondContact O-CB 3.46Å; Q55-S58 PolarHBondContact O-N 2.99Å; N56-S58 VanDerWaalsContact C-N 3.32Å; N56-S58 PolarHBondContact O-N 2.86Å; S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 WeakPolarHBondContact O-CD 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.15Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; S58-K62 PolarHBondContact OG-NZ 2.82Å
59Q95.3Very high93.8Very high76 Ų7689.1 Ų89.136%0.35540%0.403SS..Hα-helixtrans-69.6-45.8174.4-55.5-59.6-13.500111.6Q55 N56 S57 M61 K62 H63Q55-Q59 PolarHBondContact O-N 3.03Å; N56-Q59 WeakPolarHBondContact O-CB 3.35Å; N56-Q59 PolarHBondContact O-N 3.31Å; S57-Q59 PolarHBondContact O-N 3.37Å; Q59-M61 VanDerWaalsContact C-N 3.31Å; Q59-M61 PolarHBondContact O-N 3.01Å; Q59-K62 PolarHBondContact O-N 3.48Å; Q59-K62 VanDerWaalsContact O-N 3.15Å; Q59-H63 WeakPolarHBondContact O-CB 3.47Å; Q59-H63 PolarHBondContact O-CD2 3.15Å; Q59-H63 PolarHBondContact O-N 2.68Å
60F95.6Very high93.9Very high55 Ų5584.9 Ų84.924%0.24139%0.392CS..Hα-helixtrans-58.8-41.5176-70.4-68.9000112.3N56 S57 H63 T64 D73 R76 A77 W80N56-F60 VanDerWaalsContact O-CD2 3.28Å; N56-F60 WeakPolarHBondContact O-CD2 3.42Å; N56-F60 PolarHBondContact O-N 3.22Å; S57-F60 PolarHBondContact O-N 3.43Å; F60-H63 PolarHBondContact O-N 3.45Å; F60-T64 WeakPolarHBondContact O-CG2 3.37Å; F60-T64 PolarHBondContact O-N 3.07Å; F60-T64 PolarHBondContact O-OG1 3.07Å; F60-D73 HydrophobicContact CB-CB 4.23Å; F60-R76 HydrophobicContact CD1-CB 4.29Å; F60-R76 HydrophobicContact CD2-CB 4.06Å; F60-R76 HydrophobicContact CE1-CB 4.4Å; F60-R76 HydrophobicContact CE2-CB 4.2Å; F60-R76 HydrophobicContact CG-CB 4.12Å; F60-R76 HydrophobicContact CZ-CB 4.36Å; F60-A77 HydrophobicContact CD2-CB 4.27Å; F60-A77 HydrophobicContact CE2-CB 4.22Å; F60-W80 HydrophobicContact CE2-CB 4.46Å; F60-W80 HydrophobicContact CZ-CB 4.36Å; F60-W80 HydrophobicContact CZ-CD2 4.4Å; F60-W80 HydrophobicContact CZ-CE3 4.13Å
61M96.6Very high93.9Very high23 Ų2383.9 Ų83.911%0.11339%0.389CS..Hα-helixtrans-59.8-46.6173.5-177.7-161.666.600112S57 Q59 T64 K65 R66 K68 L69 D73S57-M61 PolarHBondContact O-N 2.99Å; Q59-M61 VanDerWaalsContact C-N 3.31Å; Q59-M61 PolarHBondContact O-N 3.01Å; M61-T64 PolarHBondContact O-N 3.25Å; M61-T64 PolarHBondContact O-OG1 3.43Å; M61-K65 PolarHBondContact O-N 3.22Å; M61-R66 HydrophobicContact CG-CB 4.07Å; M61-R66 PolarHBondContact O-N 3.42Å; M61-K68 WeakPolarHBondContact CG-O 3.35Å; M61-L69 HydrophobicContact SD-CB 3.86Å; M61-L69 PolarHBondContact SD-N 3.41Å; M61-L69 VanDerWaalsContact SD-N 3.37Å; M61-D73 PolarHBondContact N-OD1 3.18Å
62K95Very high94Very high109 Ų10984.5 Ų84.547%0.47440%0.396SS..Hα-helixtrans-65.6-41.4178.1-73.1162.3-1761500112.3S58 Q59 T64 K65S58-K62 WeakPolarHBondContact O-CB 3.46Å; S58-K62 WeakPolarHBondContact O-CD 3.4Å; S58-K62 VanDerWaalsContact O-CG 3.24Å; S58-K62 WeakPolarHBondContact O-CG 3.15Å; S58-K62 PolarHBondContact O-N 3.1Å; S58-K62 VanDerWaalsContact O-N 3.09Å; S58-K62 WeakPolarHBondContact OG-CE 3.4Å; S58-K62 PolarHBondContact OG-NZ 2.82Å; Q59-K62 PolarHBondContact O-N 3.48Å; Q59-K62 VanDerWaalsContact O-N 3.15Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.15Å; K62-K65 WeakPolarHBondContact O-CA 3.44Å; K62-K65 PolarHBondContact O-N 2.92Å
63H94.8Very high94.1Very high153 Ų15381.4 Ų81.471%0.70838%0.381SS*.Hα-helixtrans-65.4-32176.5-80.8-67.8000112.7Q59 F60 K65Q59-H63 WeakPolarHBondContact O-CB 3.47Å; Q59-H63 PolarHBondContact O-CD2 3.15Å; Q59-H63 PolarHBondContact O-N 2.68Å; F60-H63 PolarHBondContact O-N 3.45Å; H63-K65 PolarHBondContact O-N 3.04Å
64T93.3Very high94.1Very high55 Ų5583.5 Ų83.534%0.33739%0.39SS..THydrogen-bonded Turntrans-79.74.517155.40000113.8F60 M61 K62 R66F60-T64 WeakPolarHBondContact O-CG2 3.37Å; F60-T64 PolarHBondContact O-N 3.07Å; F60-T64 PolarHBondContact O-OG1 3.07Å; M61-T64 PolarHBondContact O-N 3.25Å; M61-T64 PolarHBondContact O-OG1 3.43Å; K62-T64 VanDerWaalsContact C-N 3.3Å; K62-T64 PolarHBondContact O-N 3.15Å; T64-R66 PolarHBondContact O-N 3.12Å; T64-R66 PolarHBondContact OG1-NE 3.11Å
65K93.7Very high94.1Very high187 Ų18781 Ų8181%0.81337%0.373SS*.THydrogen-bonded Turntrans59.321.3-177.3-53.7177.8-177.5174.10114.2M61 K62 H63M61-K65 PolarHBondContact O-N 3.22Å; K62-K65 WeakPolarHBondContact O-CA 3.44Å; K62-K65 PolarHBondContact O-N 2.92Å; H63-K65 PolarHBondContact O-N 3.04Å
66R93.1Very high94.1Very high82 Ų8280.3 Ų80.331%0.30937%0.366SS..  trans-90.3156.1178.9-64.2-174.2-68166.9-1110.8M61 T64 T70 D73M61-R66 HydrophobicContact CG-CB 4.07Å; M61-R66 PolarHBondContact O-N 3.42Å; T64-R66 PolarHBondContact O-N 3.12Å; T64-R66 PolarHBondContact OG1-NE 3.11Å; R66-T70 VanDerWaalsContact NH1-CG2 3.33Å; R66-T70 PolarHBondContact NH1-OG1 2.91Å; R66-T70 PolarHBondContact NH2-OG1 3.46Å; R66-T70 VanDerWaalsContact NH2-OG1 3.09Å; R66-D73 IonicContact CZ-OD1 3.77Å; R66-D73 IonicContact CZ-OD2 2.64Å; R66-D73 IonicContact NH2-OD1 2.81Å; R66-D73 PolarHBondContact NH2-OD1 2.89Å; R66-D73 IonicContact NH2-OD2 3.75Å; R66-D73 PolarHBondContact NH2-OD2 2.96Å
67R93.3Very high94.1Very high244 Ų24478.2 Ų78.292%0.92136%0.355SS*.SBendtrans-110.6-11.2175.6-57-177.982.4179.25.8113.3
68K92.8Very high94Very high176 Ų17679.3 Ų79.377%0.76536%0.361SS*.SBendtrans-106.9129.8172.9-65-171.7176.9-172.80108.1M61M61-K68 WeakPolarHBondContact CG-O 3.35Å
69L92.1Very high93.8Very high83 Ų8385.4 Ų85.444%0.43538%0.38SS..  trans-78.5134.4175.4-169.8134.1000108.5M61 D73M61-L69 HydrophobicContact SD-CB 3.86Å; M61-L69 PolarHBondContact SD-N 3.41Å; M61-L69 VanDerWaalsContact SD-N 3.37Å; L69-D73 HydrophobicContact CG-CB 4.37Å
70T91.8Very high93.7Very high44 Ų4489.5 Ų89.527%0.2739%0.393SS..  trans-116.4158.5-177.758.20000111.3R66 E72 D73 F74R66-T70 VanDerWaalsContact NH1-CG2 3.33Å; R66-T70 PolarHBondContact NH1-OG1 2.91Å; R66-T70 PolarHBondContact NH2-OG1 3.46Å; R66-T70 VanDerWaalsContact NH2-OG1 3.09Å; T70-E72 PolarHBondContact O-N 3.44Å; T70-E72 VanDerWaalsContact O-N 3.15Å; T70-D73 PolarHBondContact N-OD2 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.33Å; T70-D73 PolarHBondContact O-N 2.93Å; T70-D73 PolarHBondContact OG1-OD2 3.33Å; T70-F74 PolarHBondContact O-N 2.89Å
71V92.8Very high93.5Very high58 Ų5889.3 Ų89.335%0.35240%0.398SS..Hα-helixtrans-53.6-35.9176.2-173.20000110.8D73 F74 N75V71-D73 PolarHBondContact O-N 3.5Å; V71-F74 PolarHBondContact O-N 3.23Å; V71-N75 WeakPolarHBondContact O-CB 3.28Å; V71-N75 PolarHBondContact O-N 2.71Å
72E92Very high93.2Very high110 Ų11093.9 Ų93.951%0.51443%0.432SS..Hα-helixtrans-59.8-39.3172.8-74.8-169.3-135.700114.3T70 F74 R76T70-E72 PolarHBondContact O-N 3.44Å; T70-E72 VanDerWaalsContact O-N 3.15Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.79Å; E72-R76 WeakPolarHBondContact O-CB 3.38Å; E72-R76 WeakPolarHBondContact O-CD 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE2-CZ 3.18Å; E72-R76 IonicContact OE2-NE 2.75Å; E72-R76 IonicContact OE2-NH2 3.66Å; E72-R76 PolarHBondContact OE2-NH2 3.33Å
73D94.4Very high93.1Very high0 Ų092.4 Ų92.40%043%0.432CS..Hα-helixtrans-65.8-37177.6-59.6-64.2000110.5S57 F60 M61 R66 L69 T70 V71 A77S57-D73 WeakPolarHBondContact CB-O 3.1Å; F60-D73 HydrophobicContact CB-CB 4.23Å; M61-D73 PolarHBondContact N-OD1 3.18Å; R66-D73 IonicContact CZ-OD1 3.77Å; R66-D73 IonicContact CZ-OD2 2.64Å; R66-D73 IonicContact NH2-OD1 2.81Å; R66-D73 PolarHBondContact NH2-OD1 2.89Å; R66-D73 IonicContact NH2-OD2 3.75Å; R66-D73 PolarHBondContact NH2-OD2 2.96Å; L69-D73 HydrophobicContact CG-CB 4.37Å; T70-D73 PolarHBondContact N-OD2 3.31Å; T70-D73 WeakPolarHBondContact O-CB 3.33Å; T70-D73 PolarHBondContact O-N 2.93Å; T70-D73 PolarHBondContact OG1-OD2 3.33Å; V71-D73 PolarHBondContact O-N 3.5Å; D73-A77 PolarHBondContact O-N 2.67Å; D73-A77 VanDerWaalsContact O-N 3.11Å
74F94.3Very high92.9Very high52 Ų5293.5 Ų93.523%0.22844%0.438CS..Hα-helixtrans-71.1-47.4176.6-154.3-91.5000111.9A53 T70 V71 E72 R76 A77 L78A53-F74 HydrophobicContact CB-CE1 4.45Å; A53-F74 HydrophobicContact CB-CE2 4.03Å; A53-F74 HydrophobicContact CB-CZ 3.74Å; T70-F74 PolarHBondContact O-N 2.89Å; V71-F74 PolarHBondContact O-N 3.23Å; E72-F74 VanDerWaalsContact C-N 3.29Å; E72-F74 PolarHBondContact O-N 2.79Å; F74-R76 PolarHBondContact O-N 3.13Å; F74-A77 CarbonylContact O-C 3.53Å; F74-A77 WeakPolarHBondContact O-CA 3.36Å; F74-A77 WeakPolarHBondContact O-CB 3.33Å; F74-A77 PolarHBondContact O-N 3.05Å; F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CD1-CG 3.98Å; F74-L78 HydrophobicContact CE1-CD1 3.94Å; F74-L78 HydrophobicContact CE1-CD2 4.03Å; F74-L78 HydrophobicContact CE1-CG 3.99Å; F74-L78 PolarHBondContact O-N 3.43Å
75N94.6Very high92.6Very high21 Ų2192.5 Ų92.511%0.11244%0.435CS..Hα-helixtrans-65.6-20.9174.6-81.2-15.7000113.1V71 R79 A85 V86V71-N75 WeakPolarHBondContact O-CB 3.28Å; V71-N75 PolarHBondContact O-N 2.71Å; N75-R79 WeakPolarHBondContact O-CG 3.42Å; N75-R79 PolarHBondContact O-N 2.87Å; N75-R79 PolarHBondContact O-NE 3.49Å; N75-R79 PolarHBondContact O-NH2 3.15Å; N75-A85 HydrophobicContact CB-CB 4.1Å; N75-V86 PolarHBondContact ND2-O 3.48Å; N75-V86 PolarHBondContact OD1-N 3Å
76R93.4Very high92.3Very high92 Ų9286.9 Ų86.935%0.34742%0.416SS..Hα-helixtrans-75.4-38.4167-72.5163.8-161.6-152.27111.5F60 E72 F74 W80F60-R76 HydrophobicContact CD1-CB 4.29Å; F60-R76 HydrophobicContact CD2-CB 4.06Å; F60-R76 HydrophobicContact CE1-CB 4.4Å; F60-R76 HydrophobicContact CE2-CB 4.2Å; F60-R76 HydrophobicContact CG-CB 4.12Å; F60-R76 HydrophobicContact CZ-CB 4.36Å; E72-R76 WeakPolarHBondContact O-CB 3.38Å; E72-R76 WeakPolarHBondContact O-CD 3.25Å; E72-R76 WeakPolarHBondContact O-CG 3.45Å; E72-R76 PolarHBondContact O-N 2.89Å; E72-R76 IonicContact OE2-CZ 3.18Å; E72-R76 IonicContact OE2-NE 2.75Å; E72-R76 IonicContact OE2-NH2 3.66Å; E72-R76 PolarHBondContact OE2-NH2 3.33Å; F74-R76 PolarHBondContact O-N 3.13Å; R76-W80 WeakPolarHBondContact O-CB 3.49Å; R76-W80 PolarHBondContact O-N 3.21Å
77A95.5Very high91.9Very high0 Ų088.3 Ų88.30%044%0.437CS..Hα-helixtrans-67.5-41.5175.200000113.3N56 F60 D73 F74 W80 S81N56-A77 HydrophobicContact CB-CB 3.86Å; F60-A77 HydrophobicContact CD2-CB 4.27Å; F60-A77 HydrophobicContact CE2-CB 4.22Å; D73-A77 PolarHBondContact O-N 2.67Å; D73-A77 VanDerWaalsContact O-N 3.11Å; F74-A77 CarbonylContact O-C 3.53Å; F74-A77 WeakPolarHBondContact O-CA 3.36Å; F74-A77 WeakPolarHBondContact O-CB 3.33Å; F74-A77 PolarHBondContact O-N 3.05Å; A77-W80 WeakPolarHBondContact O-CB 3.42Å; A77-W80 PolarHBondContact O-N 3.29Å; A77-S81 PolarHBondContact O-N 3.47Å; A77-S81 VanDerWaalsContact O-N 3.09Å; A77-S81 PolarHBondContact O-OG 3.4Å
78L93Very high91.4Very high23 Ų2380.5 Ų80.512%0.1243%0.433CS..Hα-helixtrans-60.3-50.7175.3-68.7176000111.4F74 W80 S81 S82 V83 V86F74-L78 HydrophobicContact CD1-CD1 3.83Å; F74-L78 HydrophobicContact CD1-CG 3.98Å; F74-L78 HydrophobicContact CE1-CD1 3.94Å; F74-L78 HydrophobicContact CE1-CD2 4.03Å; F74-L78 HydrophobicContact CE1-CG 3.99Å; F74-L78 PolarHBondContact O-N 3.43Å; L78-W80 PolarHBondContact O-N 3.12Å; L78-S81 CarbonylContact O-C 3.28Å; L78-S81 WeakPolarHBondContact O-CA 3.26Å; L78-S81 PolarHBondContact O-N 2.96Å; L78-S82 PolarHBondContact O-N 3.28Å; L78-V83 CarbonylContact C-O 3.09Å; L78-V83 VanDerWaalsContact C-O 3.28Å; L78-V83 HydrophobicContact CB-CB 4.19Å; L78-V83 HydrophobicContact CD2-CB 4.24Å; L78-V83 HydrophobicContact CD2-CG1 4.13Å; L78-V83 PolarHBondContact O-N 3.29Å; L78-V86 HydrophobicContact CD1-CG2 3.74Å
79R93.3Very high90.8Very high150 Ų15078.6 Ų78.657%0.56642%0.422SS*.Hα-helixtrans-61.3-31.1176-75.2179.5-73.5-160-2.7113.3N75 S81 S82 V83 A85N75-R79 WeakPolarHBondContact O-CG 3.42Å; N75-R79 PolarHBondContact O-N 2.87Å; N75-R79 PolarHBondContact O-NE 3.49Å; N75-R79 PolarHBondContact O-NH2 3.15Å; R79-S81 VanDerWaalsContact C-N 3.33Å; R79-S82 PolarHBondContact O-N 3.27Å; R79-V83 PolarHBondContact N-O 2.98Å; R79-A85 HydrophobicContact CG-CB 4.36Å
80W91.8Very high90Very high163 Ų16377.5 Ų77.562%0.61743%0.431SS*.Hα-helixtrans-66.7-35.2172.7-176.2-83000112.4F60 R76 A77 L78 S82 L573F60-W80 HydrophobicContact CE2-CB 4.46Å; F60-W80 HydrophobicContact CZ-CB 4.36Å; F60-W80 HydrophobicContact CZ-CD2 4.4Å; F60-W80 HydrophobicContact CZ-CE3 4.13Å; R76-W80 WeakPolarHBondContact O-CB 3.49Å; R76-W80 PolarHBondContact O-N 3.21Å; A77-W80 WeakPolarHBondContact O-CB 3.42Å; A77-W80 PolarHBondContact O-N 3.29Å; L78-W80 PolarHBondContact O-N 3.12Å; W80-S82 PolarHBondContact O-N 3.38Å; W80-L573 HydrophobicContact CH2-CD1 4.02Å
81S91.3Very high89.4Confident50 Ų5079.2 Ų79.235%0.3544%0.444SS..THydrogen-bonded Turntrans-83.911.6173.4-62.20000113.9A77 L78 R79 V83A77-S81 PolarHBondContact O-N 3.47Å; A77-S81 VanDerWaalsContact O-N 3.09Å; A77-S81 PolarHBondContact O-OG 3.4Å; L78-S81 CarbonylContact O-C 3.28Å; L78-S81 WeakPolarHBondContact O-CA 3.26Å; L78-S81 PolarHBondContact O-N 2.96Å; R79-S81 VanDerWaalsContact C-N 3.33Å; S81-V83 PolarHBondContact O-N 2.97Å
82S91.9Very high88.4Confident119 Ų11986.1 Ų86.183%0.83247%0.473SS*.THydrogen-bonded Turntrans58.726.4-174.5-53.50000114.7L78 R79 W80L78-S82 PolarHBondContact O-N 3.28Å; R79-S82 PolarHBondContact O-N 3.27Å; W80-S82 PolarHBondContact O-N 3.38Å
83V92.4Very high87.7Confident79 Ų7988.4 Ų88.448%0.47948%0.483SS..PPolyproline II helixtrans-97145172.5-175.80000109.1L78 R79 S81L78-V83 CarbonylContact C-O 3.09Å; L78-V83 VanDerWaalsContact C-O 3.28Å; L78-V83 HydrophobicContact CB-CB 4.19Å; L78-V83 HydrophobicContact CD2-CB 4.24Å; L78-V83 HydrophobicContact CD2-CG1 4.13Å; L78-V83 PolarHBondContact O-N 3.29Å; R79-V83 PolarHBondContact N-O 2.98Å; S81-V83 PolarHBondContact O-N 2.97Å
84E90.5Very high86.9Confident176 Ų17692.8 Ų92.882%0.82252%0.519SS*.PPolyproline II helixtrans-61.1150175.8-61.1-168.9156.700111.5
85A87.6Confident86.1Confident33 Ų3395.2 Ų95.227%0.27353%0.534SS..PPolyproline II helixtrans-80.4137.6179.100000109.9N75 R79 C87N75-A85 HydrophobicContact CB-CB 4.1Å; R79-A85 HydrophobicContact CG-CB 4.36Å; A85-C87 PolarHBondContact O-N 3.4Å
86V87.1Confident85.5Confident70 Ų7097.1 Ų97.142%0.42455%0.548SS..  trans-76114.7177.7-165.70000108.8N75 L78 Y89N75-V86 PolarHBondContact ND2-O 3.48Å; N75-V86 PolarHBondContact OD1-N 3Å; L78-V86 HydrophobicContact CD1-CG2 3.74Å; V86-Y89 HydrophobicContact CB-CD2 4.37Å; V86-Y89 HydrophobicContact CG1-CD2 3.53Å; V86-Y89 HydrophobicContact CG1-CE2 3.53Å
87C84.9Confident85Confident111 Ų11198.2 Ų98.275%0.7556%0.56SS**  trans-81.4166.8174.6-68.70000111.5A85 Y89A85-C87 PolarHBondContact O-N 3.4Å; C87-Y89 VanDerWaalsContact C-N 3.27Å; C87-Y89 VanDerWaalsContact O-CD2 3.28Å; C87-Y89 WeakPolarHBondContact O-CD2 3.37Å; C87-Y89 PolarHBondContact O-N 3.19Å
88G82.5Confident84.5Confident81 Ų81103.4 Ų103.484%0.83558%0.58SS**SBendtrans83.6-16.9179.300000115.6
89Y80.2Confident84.2Confident136 Ų136106.4 Ų106.453%0.53360%0.6SS.*  trans-100.7133.8178.5-61.1-88000112V86 C87 L95V86-Y89 HydrophobicContact CB-CD2 4.37Å; V86-Y89 HydrophobicContact CG1-CD2 3.53Å; V86-Y89 HydrophobicContact CG1-CE2 3.53Å; C87-Y89 VanDerWaalsContact C-N 3.27Å; C87-Y89 VanDerWaalsContact O-CD2 3.28Å; C87-Y89 WeakPolarHBondContact O-CD2 3.37Å; C87-Y89 PolarHBondContact O-N 3.19Å; Y89-L95 HydrophobicContact CD1-CD1 3.98Å; Y89-L95 HydrophobicContact CE1-CD1 3.85Å
90G75.2Confident83.7Confident60 Ų60100.9 Ų100.962%0.61959%0.587SS**  trans143-8.2-179.600000115.5
91S78.9Confident83Confident79 Ų79105.5 Ų105.555%0.55260%0.604SS**  trans-59.3154.4168.8-170.10000111.1E93S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.25Å; S91-E93 VanDerWaalsContact OG-N 3.12Å; S91-E93 PolarHBondContact OG-OE2 3.3Å
92Q71.8Confident82Confident203 Ų203111.3 Ų111.395%0.94963%0.626SS**SBendtrans-81.5-13.2167.2-64.7-171.927.700112.1
93E77.6Confident80.7Confident158 Ų158108.4 Ų108.474%0.73861%0.614SS**SBendtrans-67.8135.7174.4-65.3164.1154.100109.7S91S91-E93 VanDerWaalsContact C-N 3.28Å; S91-E93 WeakPolarHBondContact OG-CB 3.45Å; S91-E93 PolarHBondContact OG-N 3.25Å; S91-E93 VanDerWaalsContact OG-N 3.12Å; S91-E93 PolarHBondContact OG-OE2 3.3Å
94A76.2Confident79.9Confident92 Ų92112.1 Ų112.176%0.7663%0.632SS**  trans-71.3136.1173.500000109.4P96A94-P96 WeakPolarHBondContact O-CD 3.36Å
95L79Confident79.4Confident103 Ų103108.3 Ų108.354%0.53962%0.616SS.*  trans-92.698.6168.9-72164.9000108.2Y89Y89-L95 HydrophobicContact CD1-CD1 3.98Å; Y89-L95 HydrophobicContact CE1-CD1 3.85Å
96P81.1Confident79.2Confident61 Ų61113.9 Ų113.940%0.39663%0.632SS.*PPolyproline II helixtrans-72.9130.5178.930.8-34.4000110.3A94 E109A94-P96 WeakPolarHBondContact O-CD 3.36Å; P96-E109 HydrophobicContact CG-CB 4.05Å; P96-E109 PolarHBondContact O-N 2.97Å; P96-E109 VanDerWaalsContact O-N 3.14Å
97L83.8Confident79.1Confident115 Ų115115.4 Ų115.460%0.60263%0.632SS**EExtended strand (participates in β ladder)trans-87.7123.2168.5-67.1173.8000108.8F107 P108L97-F107 WeakPolarHBondContact CA-O 3.36Å; L97-P108 HydrophobicContact CD2-CG 4.11Å
98R84.8Confident79.1Confident110 Ų110113 Ų11342%0.41562%0.616SS.*EExtended strand (participates in β ladder)trans-103.3140.3176.5-71.8-172.4175.3-175.9-1.2110.9Y106 F107 E109R98-Y106 VanDerWaalsContact O-CA 3.3Å; R98-Y106 WeakPolarHBondContact O-CA 3.42Å; R98-F107 HydrophobicContact CB-CE1 3.99Å; R98-F107 HydrophobicContact CB-CE2 4.21Å; R98-F107 HydrophobicContact CB-CZ 3.83Å; R98-F107 PolarHBondContact N-O 3.37Å; R98-F107 VanDerWaalsContact O-CD1 3.25Å; R98-F107 WeakPolarHBondContact O-CD1 3.47Å; R98-F107 PolarHBondContact O-N 3.44Å; R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact CZ-OE1 2.67Å; R98-E109 IonicContact CZ-OE2 2.68Å; R98-E109 IonicContact NE-OE1 3.78Å; R98-E109 IonicContact NE-OE2 3.86Å; R98-E109 PolarHBondContact NE-OE2 2.94Å; R98-E109 IonicContact NH1-OE1 2.94Å; R98-E109 IonicContact NH1-OE2 3.63Å; R98-E109 IonicContact NH2-OE1 3.55Å; R98-E109 PolarHBondContact NH2-OE1 3.01Å; R98-E109 IonicContact NH2-OE2 3.72Å; R98-E109 PolarHBondContact NH2-OE2 2.65Å
99P86.2Confident79.1Confident85 Ų85111 Ų11155%0.55259%0.585SS**EExtended strand (participates in β ladder)trans-70.9144.2172.230.6-34.1000110.8L105 Y106P99-L105 CarbonylContact C-O 3.57Å; P99-L105 WeakPolarHBondContact CA-O 3.31Å; P99-Y106 HydrophobicContact CB-CD1 4.26Å; P99-Y106 HydrophobicContact CB-CE1 4Å
100A82.2Confident79.1Confident35 Ų35111.3 Ų111.329%0.28960%0.595SS.*PPolyproline II helixtrans-68164.1165.400000110.8E102 L105A100-E102 VanDerWaalsContact C-N 3.33Å; A100-L105 HydrophobicContact CB-CB 3.92Å; A100-L105 PolarHBondContact N-O 3.3Å
101R77.1Confident79.4Confident259 Ų259117 Ų11798%0.97760%0.598SS**SBendtrans-80-16.3178.2-67.5-175178.8-177.20.3113.5
102E70.3Confident79.6Confident173 Ų173123 Ų12381%0.80862%0.617SS**SBendtrans-134.3124.2176.9-68.6177.6137.200108.7A100A100-E102 VanDerWaalsContact C-N 3.33Å
103G65.4Low80.1Confident57 Ų57117.9 Ų117.959%0.58860%0.6SS**SBendtrans81.7163.1-178.900000115.7L105G103-L105 PolarHBondContact O-N 3.03Å
104D76Confident80.6Confident157 Ų157112.8 Ų112.884%0.8458%0.582SS**SBendtrans-76.242.1177.1-68.9-31.3000112.6
105L80.4Confident81.2Confident96 Ų96115 Ų11550%0.50358%0.58SS.*  trans-94.2137.6-179.3-65.9172.5000110.4L25 P99 A100 G103L25-L105 HydrophobicContact CD1-CD2 4.33Å; P99-L105 CarbonylContact C-O 3.57Å; P99-L105 WeakPolarHBondContact CA-O 3.31Å; A100-L105 HydrophobicContact CB-CB 3.92Å; A100-L105 PolarHBondContact N-O 3.3Å; G103-L105 PolarHBondContact O-N 3.03Å
106Y83.8Confident81.7Confident151 Ų151114.9 Ų114.959%0.59258%0.583SS**EExtended strand (participates in β ladder)trans-124.2135.1177.5-66-92.1000110.7R98 P99R98-Y106 VanDerWaalsContact O-CA 3.3Å; R98-Y106 WeakPolarHBondContact O-CA 3.42Å; P99-Y106 HydrophobicContact CB-CD1 4.26Å; P99-Y106 HydrophobicContact CB-CE1 4Å
107F84.1Confident81.9Confident101 Ų101118.9 Ų118.944%0.44360%0.597SS.*EExtended strand (participates in β ladder)trans-124.9146.1177.663.4-83000111.5L97 R98L97-F107 WeakPolarHBondContact CA-O 3.36Å; R98-F107 HydrophobicContact CB-CE1 3.99Å; R98-F107 HydrophobicContact CB-CE2 4.21Å; R98-F107 HydrophobicContact CB-CZ 3.83Å; R98-F107 PolarHBondContact N-O 3.37Å; R98-F107 VanDerWaalsContact O-CD1 3.25Å; R98-F107 WeakPolarHBondContact O-CD1 3.47Å; R98-F107 PolarHBondContact O-N 3.44Å
108P84.9Confident81.9Confident62 Ų62118.6 Ų118.640%0.40360%0.595SS.*EExtended strand (participates in β ladder)trans-62.9135.2168.2-18.332000110.9L97 D110L97-P108 HydrophobicContact CD2-CG 4.11Å; P108-D110 PolarHBondContact O-N 3.02Å; P108-D110 VanDerWaalsContact O-N 3.09Å
109E82.3Confident81.8Confident38 Ų38117.5 Ų117.518%0.17861%0.61CS.*  trans-77.989.3171.7-171.9-169.8176.100111P96 R98 R111P96-E109 HydrophobicContact CG-CB 4.05Å; P96-E109 PolarHBondContact O-N 2.97Å; P96-E109 VanDerWaalsContact O-N 3.14Å; R98-E109 HydrophobicContact CG-CB 4.49Å; R98-E109 IonicContact CZ-OE1 2.67Å; R98-E109 IonicContact CZ-OE2 2.68Å; R98-E109 IonicContact NE-OE1 3.78Å; R98-E109 IonicContact NE-OE2 3.86Å; R98-E109 PolarHBondContact NE-OE2 2.94Å; R98-E109 IonicContact NH1-OE1 2.94Å; R98-E109 IonicContact NH1-OE2 3.63Å; R98-E109 IonicContact NH2-OE1 3.55Å; R98-E109 PolarHBondContact NH2-OE1 3.01Å; R98-E109 IonicContact NH2-OE2 3.72Å; R98-E109 PolarHBondContact NH2-OE2 2.65Å; E109-R111 HydrophobicContact CG-CG 4.34Å; E109-R111 PolarHBondContact O-N 2.89Å; E109-R111 IonicContact OE1-CZ 2.75Å; E109-R111 IonicContact OE1-NE 3.37Å; E109-R111 PolarHBondContact OE1-NE 2.72Å; E109-R111 IonicContact OE1-NH2 3.71Å; E109-R111 PolarHBondContact OE1-NH2 3.09Å; E109-R111 IonicContact OE2-NH2 3.71Å
110D80.2Confident81.8Confident142 Ų142119.7 Ų119.776%0.75962%0.616SS**PPolyproline II helixtrans-78117.8169.7-70.4-28.4000110.2P108P108-D110 PolarHBondContact O-N 3.02Å; P108-D110 VanDerWaalsContact O-N 3.09Å
111R81.2Confident81.7Confident180 Ų180120.5 Ų120.568%0.67962%0.623SS**PPolyproline II helixtrans-102132.7171.8-66.5-171.6-179.8175.46.8109.8E109 V113E109-R111 HydrophobicContact CG-CG 4.34Å; E109-R111 PolarHBondContact O-N 2.89Å; E109-R111 IonicContact OE1-CZ 2.75Å; E109-R111 IonicContact OE1-NE 3.37Å; E109-R111 PolarHBondContact OE1-NE 2.72Å; E109-R111 IonicContact OE1-NH2 3.71Å; E109-R111 PolarHBondContact OE1-NH2 3.09Å; E109-R111 IonicContact OE2-NH2 3.71Å; R111-V113 PolarHBondContact O-N 2.97Å
112E84.1Confident81.6Confident204 Ų204114.2 Ų114.295%0.95361%0.613SS**PPolyproline II helixtrans-63.1134.2169.7-64.2-177.8-17900110.2
113V82.6Confident81.8Confident97 Ų97112.9 Ų112.959%0.58861%0.612SS**  trans-115.3124179.7179.50000108.9R111 L115 L118R111-V113 PolarHBondContact O-N 2.97Å; V113-L115 PolarHBondContact O-N 3.42Å; V113-L115 VanDerWaalsContact O-N 3.11Å; V113-L118 HydrophobicContact CG1-CB 4.49Å; V113-L118 HydrophobicContact CG1-CD2 4.43Å
114S87.6Confident82.4Confident50 Ų50117.1 Ų117.135%0.3562%0.619SS.*  trans-67109.1174.4177.80000110.3V116 E117 L118S114-V116 PolarHBondContact O-N 3.16Å; S114-E117 PolarHBondContact O-N 2.94Å; S114-E117 PolarHBondContact OG-N 3.35Å; S114-L118 PolarHBondContact O-N 2.96Å
115L87.6Confident82.3Confident138 Ų138115.2 Ų115.272%0.72362%0.616SS**Hα-helixtrans-61.1-28.8177.8-63.9179.4000112.4V113 A119V113-L115 PolarHBondContact O-N 3.42Å; V113-L115 VanDerWaalsContact O-N 3.11Å; L115-A119 VanDerWaalsContact O-CB 3.23Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.34Å
116V90.1Very high82.2Confident101 Ų101120.4 Ų120.461%0.61263%0.634SS**Hα-helixtrans-69.7-45.5177.4-176.90000110.4S114 A119 L120S114-V116 PolarHBondContact O-N 3.16Å; V116-A119 PolarHBondContact O-N 3.38Å; V116-L120 HydrophobicContact CG1-CD1 3.95Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.44Å
117E85.5Confident81.7Confident145 Ų145116.8 Ų116.868%0.67864%0.643SS**Hα-helixtrans-65.7-40.4176.5-67.9170.7-169.700111.6S114 L120 A121S114-E117 PolarHBondContact O-N 2.94Å; S114-E117 PolarHBondContact OG-N 3.35Å; E117-L120 PolarHBondContact O-N 2.99Å; E117-A121 PolarHBondContact O-N 3.09Å
118L83.7Confident81.4Confident110 Ų110118.3 Ų118.358%0.57667%0.665SS**Hα-helixtrans-64.4-39176.1-17465.3000112.3V113 S114 A121V113-L118 HydrophobicContact CG1-CB 4.49Å; V113-L118 HydrophobicContact CG1-CD2 4.43Å; S114-L118 PolarHBondContact O-N 2.96Å; L118-A121 WeakPolarHBondContact O-CB 3.33Å; L118-A121 PolarHBondContact O-N 2.85Å
119A82.4Confident80.8Confident87 Ų87120 Ų12072%0.71968%0.683SS**Hα-helixtrans-72.6-30.3177.400000113.2L115 V116L115-A119 VanDerWaalsContact O-CB 3.23Å; L115-A119 WeakPolarHBondContact O-CB 3.48Å; L115-A119 PolarHBondContact O-N 3.34Å; V116-A119 PolarHBondContact O-N 3.38Å
120L86.4Confident80.9Confident131 Ų131127.1 Ų127.169%0.68672%0.717SS**Hα-helixtrans-84.3-9.5175.3-66.7173.6000113.1V116 E117 T122V116-L120 HydrophobicContact CG1-CD1 3.95Å; V116-L120 WeakPolarHBondContact O-CB 3.47Å; V116-L120 VanDerWaalsContact O-CG 3.26Å; V116-L120 WeakPolarHBondContact O-CG 3.5Å; V116-L120 PolarHBondContact O-N 3.44Å; E117-L120 PolarHBondContact O-N 2.99Å; L120-T122 PolarHBondContact O-N 3.15Å; L120-T122 VanDerWaalsContact O-N 3.17Å
121A81Confident80.9Confident51 Ų51127.5 Ų127.542%0.42173%0.725SS.*  trans-65.2113.9179.100000111.3E117 L118 N123E117-A121 PolarHBondContact O-N 3.09Å; L118-A121 WeakPolarHBondContact O-CB 3.33Å; L118-A121 PolarHBondContact O-N 2.85Å; A121-N123 PolarHBondContact O-N 2.93Å
122T74.1Confident81Confident128 Ų128123 Ų12379%0.78573%0.726SS**  trans-72.52.7-178.653.60000114.5L120 I124L120-T122 PolarHBondContact O-N 3.15Å; L120-T122 VanDerWaalsContact O-N 3.17Å; T122-I124 VanDerWaalsContact C-N 3.3Å; T122-I124 PolarHBondContact O-N 3.33Å
123N74.9Confident80.9Confident144 Ų144119.6 Ų119.677%0.7772%0.718SS**  trans-82.767.6-176-69.7-35.9000112.1A121 P125A121-N123 PolarHBondContact O-N 2.93Å; N123-P125 WeakPolarHBondContact O-CD 3.24Å
124I76.9Confident80.3Confident146 Ų146125 Ų12575%0.74973%0.728SS**PPolyproline II helixtrans-61.6126.6173.5-57.6173.4000109.1T122 K126T122-I124 VanDerWaalsContact C-N 3.3Å; T122-I124 PolarHBondContact O-N 3.33Å; I124-K126 PolarHBondContact O-N 3.03Å; I124-K126 VanDerWaalsContact O-N 3.15Å
125P74.3Confident79.7Confident118 Ų118128.2 Ų128.277%0.76675%0.746SS**PPolyproline II helixtrans-57.4120.4175.8-2534.4000110.9N123 G127N123-P125 WeakPolarHBondContact O-CD 3.24Å; P125-G127 PolarHBondContact O-N 3.23Å
126K78.3Confident78.4Confident205 Ų205129.1 Ų129.189%0.89175%0.746SS**PPolyproline II helixtrans-64.4123.3176-65.3-179.6-177.9177.50108.7I124I124-K126 PolarHBondContact O-N 3.03Å; I124-K126 VanDerWaalsContact O-N 3.15Å
127G73.3Confident76.9Confident75 Ų75130.3 Ų130.377%0.77375%0.753SS**PPolyproline II helixtrans-56.2145.6177.600000111.9P125P125-G127 PolarHBondContact O-N 3.23Å
128C77.3Confident75.3Confident133 Ų133128.5 Ų128.590%0.89976%0.757SS**PPolyproline II helixtrans-63.5140.9173.6-62.50000110.4
129A73.9Confident73.7Confident96 Ų96132.5 Ų132.579%0.79377%0.765SS**PPolyproline II helixtrans-60.7148.2171.800000111
130E83.3Confident72.1Confident188 Ų188132.9 Ų132.988%0.87976%0.755SS**PPolyproline II helixtrans-58.1142.3178-63.9-172.6156.200112.1A132E130-A132 PolarHBondContact O-N 3.37Å
131T81.6Confident70Confident151 Ų151132.9 Ų132.993%0.92676%0.755SS**  trans-71.286.7-178.6160000112
132A82.8Confident68.3Low85 Ų85134.1 Ų134.170%0.70277%0.773SS**  trans-85.4133.8172.900000112.4E130E130-A132 PolarHBondContact O-N 3.37Å
133V80.9Confident67.1Low132 Ų132136.8 Ų136.880%0.877%0.774SS**  trans-91111.5172.4-179.50000109.6V135V133-V135 HydrophobicContact CG1-CG2 4.2Å
134R71.5Confident65.5Low212 Ų212133 Ų13380%0.877%0.768SS**  trans-94116169.7-67.7-175.2-179.1173.81.2110
135V73.8Confident64Low117 Ų117131.9 Ų131.971%0.70976%0.764SS**  trans-92.3108.6174.6-177.50000108.9V133 V137V133-V135 HydrophobicContact CG1-CG2 4.2Å; V135-V137 HydrophobicContact CG1-CG2 4.14Å
136H60.2Low62.5Low156 Ų156134.4 Ų134.472%0.72277%0.771SS**  trans-96.9117.5165.6-70.6-81.5000108.7S138H136-S138 PolarHBondContact O-N 2.92Å
137V60Low60.8Low126 Ų126128.1 Ų128.176%0.76476%0.756SS**  trans-86.795.7176.6-177.60000108.9V135V135-V137 HydrophobicContact CG1-CG2 4.14Å
138S50.6Low59.4Low108 Ų108130.4 Ų130.476%0.75576%0.758SS**  trans-99.181.6175.139.40000111.3H136H136-S138 PolarHBondContact O-N 2.92Å
139Y49.5Very low58.1Low193 Ų193129.7 Ų129.776%0.75774%0.741SS**  trans-150.5142172.4-100.5-80.5000106.4
140L49.3Very low56.9Low96 Ų96127.9 Ų127.950%0.50373%0.732SS.*SBendcis-141.2164.830.2-95.1137.1000113C211L140-C211 HydrophobicContact CD1-CB 4.19Å
141D43.4Very low55.4Low130 Ų130123.2 Ų123.270%0.69572%0.72SS**SBendtrans70.9151.3172.6-143.9-7.3000117K143D141-K143 PolarHBondContact O-N 2.64Å
142G45.4Very low54.1Low78 Ų78120.7 Ų120.780%0.80470%0.704SS**SBendtrans-69.79.5-169.100000115.8
143K47.7Very low52.8Low184 Ų184121 Ų12180%0.870%0.699SS**SBendtrans-131.7104.3174.3-65.1176.5-177.4175.50106.5D141D141-K143 PolarHBondContact O-N 2.64Å
144G41.1Very low51.7Low63 Ų63118.3 Ų118.365%0.64969%0.686SS**  trans-53.7148.7-178.700000112.3L146G144-L146 VanDerWaalsContact C-N 3.28Å; G144-L146 PolarHBondContact O-N 2.88Å
145N45.5Very low51.3Low123 Ų123111 Ų11166%0.65867%0.671SS**THydrogen-bonded Turntrans-62.177.2-174.6-74.3-49.6000113.6
146L44.1Very low50.9Low172 Ų172107 Ų10790%0.90165%0.647SS**THydrogen-bonded Turntrans-135.1-15.5169.3-72176.9000113G144G144-L146 VanDerWaalsContact C-N 3.28Å; G144-L146 PolarHBondContact O-N 2.88Å
147A41.7Very low51.2Low72 Ų72104.2 Ų104.260%0.59565%0.645SS**SBendtrans-91.2129.6169.900000109.7Q149A147-Q149 PolarHBondContact O-N 2.8Å; A147-Q149 VanDerWaalsContact O-N 3.07Å
148P44.2Very low51.9Low123 Ų123103 Ų10380%0.79964%0.642SS**PPolyproline II helixtrans-59.211616026.5-31.3000106.7G150P148-G150 PolarHBondContact O-N 2.9Å; P148-G150 VanDerWaalsContact O-N 3.15Å
149Q49.8Very low53.4Low119 Ų119101 Ų10156%0.55662%0.622SS**PPolyproline II helixtrans-56.6127.1178.4-77.6-163.7-9.300108.5A147 Y215A147-Q149 PolarHBondContact O-N 2.8Å; A147-Q149 VanDerWaalsContact O-N 3.07Å; Q149-Y215 PolarHBondContact OE1-OH 3.46Å
150G48.2Very low55.3Low57 Ų5796 Ų9659%0.58861%0.612SS**PPolyproline II helixtrans-61.6173.7-172.300000112.7P148P148-G150 PolarHBondContact O-N 2.9Å; P148-G150 VanDerWaalsContact O-N 3.15Å
151S51.8Low57.1Low91 Ų9196.3 Ų96.364%0.63661%0.614SS**PPolyproline II helixtrans-52.7149.5173.853.40000111.6P153 S154S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.5Å; S151-S154 PolarHBondContact O-N 3.46Å
152V55.1Low59.4Low97 Ų9795.7 Ų95.759%0.58861%0.611SS**THydrogen-bonded Turntrans-38.3-40.8-178.1-1780000114.8S154 A155 V156V152-S154 PolarHBondContact O-N 3.07Å; V152-S154 VanDerWaalsContact O-N 3.15Å; V152-A155 PolarHBondContact O-N 2.96Å; V152-V156 HydrophobicContact CG1-CG2 4.09Å; V152-V156 WeakPolarHBondContact O-CG2 3.01Å; V152-V156 PolarHBondContact O-N 3.4Å
153P55Low61.4Low92 Ų9296.4 Ų96.460%0.59760%0.596SS**Hα-helixtrans-52.1-35.4177.2-3037.9000115.5S151 V156 S157S151-P153 VanDerWaalsContact O-CD 3.28Å; S151-P153 WeakPolarHBondContact O-CD 3.5Å; P153-V156 PolarHBondContact O-N 2.88Å; P153-S157 PolarHBondContact O-N 3.32Å; P153-S157 PolarHBondContact O-OG 2.85Å
154S58.8Low63.2Low75 Ų7589.9 Ų89.952%0.52457%0.57SS.*Hα-helixtrans-71.6-30.8-177-176.20000113.6S151 V152 S157S151-S154 PolarHBondContact O-N 3.46Å; V152-S154 PolarHBondContact O-N 3.07Å; V152-S154 VanDerWaalsContact O-N 3.15Å; S154-S157 WeakPolarHBondContact CA-OG 3.45Å; S154-S157 PolarHBondContact O-OG 3.22Å
155A62.7Low65.4Low60 Ų6091 Ų9150%0.49656%0.557SS.*Hα-helixtrans-78.2-34.2176.300000111.1V152 S158V152-A155 PolarHBondContact O-N 2.96Å; A155-S158 PolarHBondContact O-N 2.78Å; A155-S158 PolarHBondContact O-OG 3.03Å
156V64.3Low67.5Low32 Ų3292.3 Ų92.319%0.19455%0.553CS.*Hα-helixtrans-68.6-35.6175.51780000111.2V152 P153 S158 L159 L164 Y167V152-V156 HydrophobicContact CG1-CG2 4.09Å; V152-V156 WeakPolarHBondContact O-CG2 3.01Å; V152-V156 PolarHBondContact O-N 3.4Å; P153-V156 PolarHBondContact O-N 2.88Å; V156-S158 PolarHBondContact O-N 3.05Å; V156-L159 HydrophobicContact CG1-CD1 4.44Å; V156-L159 WeakPolarHBondContact O-CB 3.35Å; V156-L159 PolarHBondContact O-N 3.2Å; V156-L164 HydrophobicContact CG1-CD1 3.4Å; V156-Y167 HydrophobicContact CG1-CD1 4.44Å; V156-Y167 HydrophobicContact CG1-CE1 4.42Å; V156-Y167 HydrophobicContact CG2-CE1 4Å
157S66.3Low69.5Low98 Ų9887.5 Ų87.569%0.68552%0.524SS*.THydrogen-bonded Turntrans-68.2-14.4178.361.20000115.1P153 S154P153-S157 PolarHBondContact O-N 3.32Å; P153-S157 PolarHBondContact O-OG 2.85Å; S154-S157 WeakPolarHBondContact CA-OG 3.45Å; S154-S157 PolarHBondContact O-OG 3.22Å
158S75.6Confident71.5Confident100 Ų10087.7 Ų87.770%0.69951%0.512SS*.THydrogen-bonded Turntrans-95.23.117553.40000114.1A155 V156A155-S158 PolarHBondContact O-N 2.78Å; A155-S158 PolarHBondContact O-OG 3.03Å; V156-S158 PolarHBondContact O-N 3.05Å
159L81.8Confident73.5Confident66 Ų6688 Ų8835%0.34650%0.503SS..SBendtrans-80.4146.5177-63.3175.5000111.2V156 L163V156-L159 HydrophobicContact CG1-CD1 4.44Å; V156-L159 WeakPolarHBondContact O-CB 3.35Å; V156-L159 PolarHBondContact O-N 3.2Å; L159-L163 HydrophobicContact CB-CB 4.25Å; L159-L163 HydrophobicContact CD2-CB 4.41Å; L159-L163 HydrophobicContact CD2-CD1 4.39Å
160T89.3Confident75.3Confident88 Ų8885.2 Ų85.254%0.5449%0.494SS..  trans-67.8150.8166.750.80000110.6D162 L163 L164T160-D162 VanDerWaalsContact C-N 3.27Å; T160-D162 PolarHBondContact O-N 3.46Å; T160-D162 VanDerWaalsContact O-N 3.12Å; T160-L163 WeakPolarHBondContact O-CA 3.4Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 PolarHBondContact O-N 3.14Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; T160-L164 PolarHBondContact O-N 3Å
161D88Confident77Confident102 Ų10283.7 Ų83.755%0.54547%0.473SS..Hα-helixtrans-50.5-40.9-175.4-173.733.9000113.8L163 L164 K165D161-L163 PolarHBondContact O-N 3.35Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.32Å; D161-K165 VanDerWaalsContact CG-NZ 3.32Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 VanDerWaalsContact OD1-CE 3.27Å; D161-K165 WeakPolarHBondContact OD1-CE 3.31Å; D161-K165 IonicContact OD1-NZ 2.95Å; D161-K165 WeakPolarHBondContact OD2-CE 3.34Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.21Å
162D90.6Very high78.4Confident117 Ų11785.8 Ų85.863%0.62647%0.467SS*.Hα-helixtrans-68-34.1177-60.7-32.5000113.8T160 K165 Y166T160-D162 VanDerWaalsContact C-N 3.27Å; T160-D162 PolarHBondContact O-N 3.46Å; T160-D162 VanDerWaalsContact O-N 3.12Å; D162-K165 IonicContact OD1-NZ 2.64Å; D162-K165 PolarHBondContact OD1-NZ 2.97Å; D162-Y166 WeakPolarHBondContact O-CB 3.3Å; D162-Y166 PolarHBondContact O-N 3.4Å
163L87.9Confident79.7Confident93 Ų9385 Ų8549%0.48747%0.471SS..Hα-helixtrans-74-33.8174.5-68.8178.4000111.1L159 T160 D161 Y166 Y167L159-L163 HydrophobicContact CB-CB 4.25Å; L159-L163 HydrophobicContact CD2-CB 4.41Å; L159-L163 HydrophobicContact CD2-CD1 4.39Å; T160-L163 WeakPolarHBondContact O-CA 3.4Å; T160-L163 WeakPolarHBondContact O-CB 3.36Å; T160-L163 PolarHBondContact O-N 3.14Å; T160-L163 WeakPolarHBondContact OG1-CD1 3.48Å; T160-L163 WeakPolarHBondContact OG1-CG 3.41Å; D161-L163 PolarHBondContact O-N 3.35Å; L163-Y166 PolarHBondContact O-N 3.01Å; L163-Y167 WeakPolarHBondContact O-CB 3.47Å; L163-Y167 PolarHBondContact O-N 3.41Å
164L86.2Confident81Confident48 Ų4882 Ų8225%0.25145%0.451SS..Hα-helixtrans-65.3-45.1173.6-178.262.1000111.1V156 T160 D161 Y167 Q168V156-L164 HydrophobicContact CG1-CD1 3.4Å; T160-L164 PolarHBondContact O-N 3Å; D161-L164 WeakPolarHBondContact O-CB 3.4Å; D161-L164 PolarHBondContact O-N 3.32Å; L164-Y167 PolarHBondContact O-N 3.23Å; L164-Q168 WeakPolarHBondContact O-CB 3.38Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 3.11Å
165K87.4Confident81.7Confident87 Ų8779.2 Ų79.238%0.37843%0.43SS..Hα-helixtrans-59.8-46.4173.4-70166.1-162.4153.90111.8D161 D162 Q168 Q169D161-K165 VanDerWaalsContact CG-NZ 3.32Å; D161-K165 WeakPolarHBondContact O-CG 3.33Å; D161-K165 PolarHBondContact O-N 3.4Å; D161-K165 VanDerWaalsContact OD1-CE 3.27Å; D161-K165 WeakPolarHBondContact OD1-CE 3.31Å; D161-K165 IonicContact OD1-NZ 2.95Å; D161-K165 WeakPolarHBondContact OD2-CE 3.34Å; D161-K165 IonicContact OD2-NZ 3.94Å; D161-K165 PolarHBondContact OD2-NZ 3.21Å; D162-K165 IonicContact OD1-NZ 2.64Å; D162-K165 PolarHBondContact OD1-NZ 2.97Å; K165-Q168 PolarHBondContact O-N 3.19Å; K165-Q169 WeakPolarHBondContact O-CB 3.38Å; K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 3.38Å
166Y89.3Confident82.2Confident150 Ų15077.8 Ų77.859%0.58842%0.421SS*.Hα-helixtrans-60-47.1176.3175.9-102.1000111.8D162 L163 Q168 Q169 V170D162-Y166 WeakPolarHBondContact O-CB 3.3Å; D162-Y166 PolarHBondContact O-N 3.4Å; L163-Y166 PolarHBondContact O-N 3.01Å; Y166-Q168 PolarHBondContact O-N 3.28Å; Y166-Q169 PolarHBondContact O-N 3.15Å; Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.34Å; Y166-V170 HydrophobicContact CE1-CG2 4.02Å; Y166-V170 HydrophobicContact CE2-CG2 3.87Å; Y166-V170 WeakPolarHBondContact O-CG2 3.43Å; Y166-V170 PolarHBondContact O-N 3.01Å
167Y86.1Confident82.3Confident71 Ų7183 Ų8328%0.27845%0.448SS..Hα-helixtrans-57-49.1175.5174.2-102.9000111.5V156 L163 L164 Q169 V170 T171 M182V156-Y167 HydrophobicContact CG1-CD1 4.44Å; V156-Y167 HydrophobicContact CG1-CE1 4.42Å; V156-Y167 HydrophobicContact CG2-CE1 4Å; L163-Y167 WeakPolarHBondContact O-CB 3.47Å; L163-Y167 PolarHBondContact O-N 3.41Å; L164-Y167 PolarHBondContact O-N 3.23Å; Y167-Q169 PolarHBondContact O-N 3.32Å; Y167-V170 PolarHBondContact O-N 3.14Å; Y167-T171 HydrophobicContact CD1-CG2 4.41Å; Y167-T171 HydrophobicContact CD2-CG2 4.19Å; Y167-T171 HydrophobicContact CE1-CG2 4Å; Y167-T171 HydrophobicContact CE2-CG2 3.74Å; Y167-T171 WeakPolarHBondContact O-CG2 3.39Å; Y167-T171 PolarHBondContact O-N 2.89Å; Y167-T171 PolarHBondContact O-OG1 2.58Å; Y167-M182 HydrophobicContact CE1-CE 4.06Å
168Q84Confident81.9Confident75 Ų7582 Ų8235%0.3544%0.435SS..Hα-helixtrans-61-40.1178.3-72.81759.400113.1L164 K165 Y166 T171 R172L164-Q168 WeakPolarHBondContact O-CB 3.38Å; L164-Q168 VanDerWaalsContact O-CG 3.28Å; L164-Q168 WeakPolarHBondContact O-CG 3.39Å; L164-Q168 PolarHBondContact O-N 3.11Å; K165-Q168 PolarHBondContact O-N 3.19Å; Y166-Q168 PolarHBondContact O-N 3.28Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.44Å; Q168-T171 PolarHBondContact O-OG1 3.17Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; Q168-R172 WeakPolarHBondContact O-CB 3.19Å; Q168-R172 WeakPolarHBondContact O-CG 3.42Å; Q168-R172 PolarHBondContact O-N 2.88Å
169Q86.2Confident81.1Confident129 Ų12982.5 Ų82.560%0.60344%0.436SS*.Hα-helixtrans-64.5-44.9176.3-74.8172.7-5.600111.4K165 Y166 Y167 R172 A173K165-Q169 WeakPolarHBondContact O-CB 3.38Å; K165-Q169 VanDerWaalsContact O-CG 3.31Å; K165-Q169 WeakPolarHBondContact O-CG 3.36Å; K165-Q169 PolarHBondContact O-N 3.38Å; Y166-Q169 PolarHBondContact O-N 3.15Å; Y167-Q169 PolarHBondContact O-N 3.32Å; Q169-R172 PolarHBondContact O-N 3.14Å; Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 3.14Å
170V86.6Confident79.6Confident62 Ų6286.8 Ų86.838%0.37645%0.454SS..Hα-helixtrans-65.9-42.8177174.50000111.3Y166 Y167 A173 V174Y166-V170 HydrophobicContact CD1-CG2 4.47Å; Y166-V170 HydrophobicContact CD2-CG2 4.34Å; Y166-V170 HydrophobicContact CE1-CG2 4.02Å; Y166-V170 HydrophobicContact CE2-CG2 3.87Å; Y166-V170 WeakPolarHBondContact O-CG2 3.43Å; Y166-V170 PolarHBondContact O-N 3.01Å; Y167-V170 PolarHBondContact O-N 3.14Å; V170-A173 PolarHBondContact O-N 3.11Å; V170-V174 WeakPolarHBondContact O-CG2 3.35Å; V170-V174 PolarHBondContact O-N 3.14Å; V170-V174 VanDerWaalsContact O-N 3.1Å
171T83.1Confident77.9Confident25 Ų2583.9 Ų83.915%0.15344%0.435CS..Hα-helixtrans-65-40.7177.953.50000111.9Y167 Q168 V174 L175 M182Y167-T171 HydrophobicContact CD1-CG2 4.41Å; Y167-T171 HydrophobicContact CD2-CG2 4.19Å; Y167-T171 HydrophobicContact CE1-CG2 4Å; Y167-T171 HydrophobicContact CE2-CG2 3.74Å; Y167-T171 WeakPolarHBondContact O-CG2 3.39Å; Y167-T171 PolarHBondContact O-N 2.89Å; Y167-T171 PolarHBondContact O-OG1 2.58Å; Q168-T171 WeakPolarHBondContact CA-OG1 3.44Å; Q168-T171 PolarHBondContact O-OG1 3.17Å; Q168-T171 VanDerWaalsContact O-OG1 3.05Å; T171-V174 PolarHBondContact O-N 3.42Å; T171-L175 WeakPolarHBondContact O-CB 3.34Å; T171-L175 PolarHBondContact O-N 3.02Å; T171-M182 HydrophobicContact CG2-SD 4.07Å
172R82.1Confident76.3Confident134 Ų13483.9 Ų83.951%0.50643%0.433SS..Hα-helixtrans-64-41.5174.9-74.1179.8-166.6154.46.4112.3Q168 Q169 V174 G176Q168-R172 WeakPolarHBondContact O-CB 3.19Å; Q168-R172 WeakPolarHBondContact O-CG 3.42Å; Q168-R172 PolarHBondContact O-N 2.88Å; Q169-R172 PolarHBondContact O-N 3.14Å; R172-V174 VanDerWaalsContact C-N 3.25Å; R172-V174 PolarHBondContact O-N 2.93Å; R172-G176 WeakPolarHBondContact CA-O 3.2Å; R172-G176 CarbonylContact O-C 3.53Å; R172-G176 WeakPolarHBondContact O-CA 3.49Å; R172-G176 PolarHBondContact O-N 3.37Å
173A83.2Confident74.7Confident81 Ų8185.9 Ų85.967%0.66944%0.436SS*.Hα-helixtrans-63.1-31.2176.600000113.1Q169 V170Q169-A173 WeakPolarHBondContact O-CB 3.47Å; Q169-A173 PolarHBondContact O-N 3.14Å; V170-A173 PolarHBondContact O-N 3.11Å
174V80.9Confident73.1Confident29 Ų2983.3 Ų83.318%0.17642%0.424CS..Hα-helixtrans-86-47.3179.9173.80000112.2V170 T171 R172 R196 L197 V200V170-V174 WeakPolarHBondContact O-CG2 3.35Å; V170-V174 PolarHBondContact O-N 3.14Å; V170-V174 VanDerWaalsContact O-N 3.1Å; T171-V174 PolarHBondContact O-N 3.42Å; R172-V174 VanDerWaalsContact C-N 3.25Å; R172-V174 PolarHBondContact O-N 2.93Å; V174-R196 HydrophobicContact CG1-CB 4.44Å; V174-R196 WeakPolarHBondContact O-CD 3.31Å; V174-R196 PolarHBondContact O-NH1 2.95Å; V174-L197 HydrophobicContact CG1-CD2 4.32Å; V174-V200 HydrophobicContact CG1-CG2 3.88Å; V174-V200 HydrophobicContact CG2-CG2 3.74Å
175L75.1Confident71.5Confident17 Ų1788.5 Ų88.59%0.08945%0.445CS..Hα-helixtrans-102-10.8-170-66.7171.7000114.5T171 L181 M182 L197T171-L175 WeakPolarHBondContact O-CB 3.34Å; T171-L175 PolarHBondContact O-N 3.02Å; L175-L181 HydrophobicContact CB-CB 4.33Å; L175-L181 VanDerWaalsContact O-CD2 3.3Å; L175-L181 WeakPolarHBondContact O-CD2 3.47Å; L175-M182 HydrophobicContact CD1-CG 4.49Å; L175-M182 HydrophobicContact CD1-SD 4.2Å; L175-L197 HydrophobicContact CD2-CD1 4.12Å; L175-L197 HydrophobicContact CD2-CD2 4.05Å; L175-L197 HydrophobicContact CD2-CG 4.19Å
176G73.2Confident70Confident29 Ų2987.1 Ų87.130%0.29945%0.446SS..  trans84.3-172.8-168.600000113R172 D178R172-G176 WeakPolarHBondContact CA-O 3.2Å; R172-G176 CarbonylContact O-C 3.53Å; R172-G176 WeakPolarHBondContact O-CA 3.49Å; R172-G176 PolarHBondContact O-N 3.37Å; G176-D178 VanDerWaalsContact C-N 3.34Å; G176-D178 PolarHBondContact O-N 3.45Å
177D64.8Low68.6Low141 Ų14180.1 Ų80.175%0.75442%0.419SS*.SBendtrans-83.2-2.5-171.6-69.2-53.8000115P179D177-P179 WeakPolarHBondContact O-CD 3.48Å
178D59.4Low67.7Low78 Ų7877.4 Ų77.442%0.41741%0.41SS..  trans-82.5118.1-177.4-170.6-25.6000112.4G176 Q180 L181G176-D178 VanDerWaalsContact C-N 3.34Å; G176-D178 PolarHBondContact O-N 3.45Å; D178-Q180 PolarHBondContact O-N 3.35Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.42Å; D178-Q180 PolarHBondContact OD1-N 2.94Å; D178-L181 HydrophobicContact CB-CD1 3.95Å; D178-L181 HydrophobicContact CB-CD2 4.5Å; D178-L181 PolarHBondContact O-N 2.87Å
179P57.3Low67.1Low110 Ų11080.4 Ų80.471%0.71442%0.424SS*.G310 helixtrans-66.6-13.8179.328.4-35.7000114.9D177D177-P179 WeakPolarHBondContact O-CD 3.48Å
180Q51.5Low66.8Low156 Ų15676.7 Ų76.773%0.72941%0.408SS*.G310 helixtrans-83.5-13.3-178.9-59.1-162.8-8.400114.2D178 M182 S186D178-Q180 PolarHBondContact O-N 3.35Å; D178-Q180 WeakPolarHBondContact OD1-CB 3.42Å; D178-Q180 PolarHBondContact OD1-N 2.94Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 3.11Å; Q180-S186 PolarHBondContact O-OG 2.69Å; Q180-S186 VanDerWaalsContact O-OG 3.05Å
181L52.8Low66.5Low27 Ų2775.6 Ų75.614%0.14140%0.4CS..G310 helixtrans-80.20.8-175.5-92.259000115.1L175 D178 K183 V187 Q193L175-L181 HydrophobicContact CB-CB 4.33Å; L175-L181 VanDerWaalsContact O-CD2 3.3Å; L175-L181 WeakPolarHBondContact O-CD2 3.47Å; D178-L181 HydrophobicContact CB-CD1 3.95Å; D178-L181 HydrophobicContact CB-CD2 4.5Å; D178-L181 PolarHBondContact O-N 2.87Å; L181-K183 PolarHBondContact O-N 2.99Å; L181-V187 HydrophobicContact CB-CG2 4.26Å; L181-V187 HydrophobicContact CG-CG2 4.11Å; L181-V187 WeakPolarHBondContact O-CG2 3.35Å; L181-Q193 VanDerWaalsContact CD2-CD 3.5Å
182M55.5Low66.5Low103 Ų10380.9 Ų80.951%0.50742%0.423SS..  trans-68.69.5-175.1-68.4-90.8-109.100115.5Y167 T171 L175 Q180Y167-M182 HydrophobicContact CE1-CE 4.06Å; T171-M182 HydrophobicContact CG2-SD 4.07Å; L175-M182 HydrophobicContact CD1-CG 4.49Å; L175-M182 HydrophobicContact CD1-SD 4.2Å; Q180-M182 VanDerWaalsContact C-N 3.28Å; Q180-M182 PolarHBondContact O-N 3.11Å
183K56.9Low66.6Low159 Ų15975.9 Ų75.969%0.69141%0.405SS*.SBendtrans-130.3127.8173.3-72.6176.9-179.3169.60109.9L181 K185 S186 V187L181-K183 PolarHBondContact O-N 2.99Å; K183-K185 PolarHBondContact O-N 2.94Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 3.45Å; K183-V187 WeakPolarHBondContact O-CG2 3.29Å
184V53.1Low66.7Low39 Ų3972 Ų7224%0.23637%0.373CS..G310 helixtrans-50.7-31.7174.6-170.60000112.7V187 L194 L197 Y225V184-V187 PolarHBondContact O-N 2.95Å; V184-L194 HydrophobicContact CG1-CD2 4.01Å; V184-L197 HydrophobicContact CG2-CD1 4.35Å; V184-Y225 HydrophobicContact CG1-CD1 4.09Å; V184-Y225 HydrophobicContact CG1-CE1 4.49Å
185K52.8Low66.9Low157 Ų15773.6 Ų73.668%0.68338%0.379SS*.G310 helixtrans-72.7-20.1177.5-65.5-169.7175.5-169.90115.5K183 Y225K183-K185 PolarHBondContact O-N 2.94Å; K185-Y225 HydrophobicContact CG-CE2 4.19Å
186S56.6Low67.5Low58 Ų5876.9 Ų76.941%0.40639%0.39SS..G310 helixtrans-89.4-5.2170.645.80000112.8Q180 K183Q180-S186 PolarHBondContact O-OG 2.69Å; Q180-S186 VanDerWaalsContact O-OG 3.05Å; K183-S186 PolarHBondContact O-N 3.38Å; K183-S186 PolarHBondContact O-OG 3.45Å
187V59.8Low68.3Low2 Ų277.4 Ų77.41%0.01239%0.386CS..  trans-101.910.6-175.8-177.20000111.9L181 K183 V184 H189 D190 Q193 L194 L197L181-V187 HydrophobicContact CB-CG2 4.26Å; L181-V187 HydrophobicContact CG-CG2 4.11Å; L181-V187 WeakPolarHBondContact O-CG2 3.35Å; K183-V187 WeakPolarHBondContact O-CG2 3.29Å; V184-V187 PolarHBondContact O-N 2.95Å; V187-H189 PolarHBondContact O-N 3.31Å; V187-D190 PolarHBondContact O-N 2.88Å; V187-Q193 HydrophobicContact CG1-CB 3.44Å; V187-Q193 VanDerWaalsContact CG1-CB 3.44Å; V187-Q193 HydrophobicContact CG1-CG 4.48Å; V187-L194 HydrophobicContact CB-CD2 4.31Å; V187-L194 HydrophobicContact CG1-CD2 4.03Å; V187-L194 HydrophobicContact CG1-CG 4.12Å; V187-L197 HydrophobicContact CG1-CD1 4.3Å
188S66.1Low69.4Low15 Ų1571.4 Ų71.411%0.10535%0.354CS..THydrogen-bonded Turntrans-63-9.1-176.359.40000115.5A232 A233S188-A232 PolarHBondContact O-N 3.41Å; S188-A233 PolarHBondContact O-N 2.86Å
189H71.3Confident70.9Confident137 Ų13770.8 Ų70.863%0.63435%0.348SS*.THydrogen-bonded Turntrans-96.8-24.8-178.4-60.7-91.2000113.9V187 A232V187-H189 PolarHBondContact O-N 3.31Å; H189-A232 WeakPolarHBondContact CE1-CB 3.4Å; H189-A232 VanDerWaalsContact ND1-CB 3.25Å; H189-A232 WeakPolarHBondContact ND1-CB 3.41Å
190D80.1Confident72.5Confident51 Ų5167.9 Ų67.927%0.27333%0.329SS..  trans-110113.9-175.5-176.1-32.6000110.7V187 E192 Q193 L194V187-D190 PolarHBondContact O-N 2.88Å; D190-E192 WeakPolarHBondContact OD1-CA 3.16Å; D190-E192 WeakPolarHBondContact OD1-CB 3.46Å; D190-E192 PolarHBondContact OD1-N 3.09Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.06Å; D190-Q193 VanDerWaalsContact CG-CD 3.45Å; D190-Q193 VanDerWaalsContact CG-CG 3.44Å; D190-Q193 PolarHBondContact OD1-N 3.12Å; D190-Q193 VanDerWaalsContact OD2-CG 3.28Å; D190-Q193 WeakPolarHBondContact OD2-CG 3.34Å; D190-Q193 PolarHBondContact OD2-NE2 2.55Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.44Å
191L81.9Confident74.4Confident39 Ų3960.9 Ų60.920%0.20430%0.297CS..Hα-helixtrans-72.4-33.6-177.4-146.694.1000113.1L194 H195 A233 D240 H241 L244L191-L194 PolarHBondContact O-N 3.34Å; L191-H195 WeakPolarHBondContact O-CB 3.32Å; L191-H195 PolarHBondContact O-N 2.64Å; L191-A233 HydrophobicContact CD1-CB 3.75Å; L191-D240 VanDerWaalsContact CD2-O 3.26Å; L191-D240 WeakPolarHBondContact CD2-O 3.3Å; L191-H241 HydrophobicContact CD1-CB 3.72Å; L191-L244 HydrophobicContact CG-CD1 4.4Å
192E82.7Confident76.2Confident137 Ų13763.2 Ų63.264%0.6430%0.304SS*.Hα-helixtrans-71.1-37.5-178.7-61-171.8171.900111.4D190 H195 R196D190-E192 WeakPolarHBondContact OD1-CA 3.16Å; D190-E192 WeakPolarHBondContact OD1-CB 3.46Å; D190-E192 PolarHBondContact OD1-N 3.09Å; E192-H195 PolarHBondContact O-N 3.09Å; E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.17Å; E192-R196 PolarHBondContact O-NE 3.42Å; E192-R196 IonicContact OE2-NH2 3.73Å
193Q82.9Confident77.8Confident28 Ų2861.7 Ų61.713%0.13130%0.303CS..Hα-helixtrans-68.6-42.1175.3-67.7173.316.800111.5L181 V187 D190 H195 R196 L197L181-Q193 VanDerWaalsContact CD2-CD 3.5Å; V187-Q193 HydrophobicContact CG1-CB 3.44Å; V187-Q193 VanDerWaalsContact CG1-CB 3.44Å; V187-Q193 HydrophobicContact CG1-CG 4.48Å; D190-Q193 HydrophobicContact CB-CB 4.13Å; D190-Q193 HydrophobicContact CB-CG 4.06Å; D190-Q193 VanDerWaalsContact CG-CD 3.45Å; D190-Q193 VanDerWaalsContact CG-CG 3.44Å; D190-Q193 PolarHBondContact OD1-N 3.12Å; D190-Q193 VanDerWaalsContact OD2-CG 3.28Å; D190-Q193 WeakPolarHBondContact OD2-CG 3.34Å; D190-Q193 PolarHBondContact OD2-NE2 2.55Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; Q193-R196 PolarHBondContact O-N 3.18Å; Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.44Å; Q193-L197 PolarHBondContact O-N 3.08Å
194L85.3Confident79.4Confident0 Ų057.4 Ų57.40%029%0.288CS..Hα-helixtrans-60.3-40.7171.8-68.8174000111.3V184 V187 D190 L191 L197 L198 L231 L244V184-L194 HydrophobicContact CG1-CD2 4.01Å; V187-L194 HydrophobicContact CB-CD2 4.31Å; V187-L194 HydrophobicContact CG1-CD2 4.03Å; V187-L194 HydrophobicContact CG1-CG 4.12Å; D190-L194 WeakPolarHBondContact O-CG 3.21Å; D190-L194 PolarHBondContact O-N 3.44Å; L191-L194 PolarHBondContact O-N 3.34Å; L194-L197 PolarHBondContact O-N 3.41Å; L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.89Å; L194-L231 HydrophobicContact CD1-CD1 3.85Å; L194-L231 HydrophobicContact CD1-CD2 3.94Å; L194-L231 HydrophobicContact CD1-CG 4.43Å; L194-L244 HydrophobicContact CB-CD1 3.73Å; L194-L244 HydrophobicContact CB-CD2 4.25Å; L194-L244 HydrophobicContact CD1-CD2 4.21Å
195H86.5Confident81.2Confident63 Ų6356.2 Ų56.229%0.29228%0.28SS..Hα-helixtrans-62.9-47.5175.3-164.899.1000111.8L191 E192 Q193 L197 L198 Q199 L244L191-H195 WeakPolarHBondContact O-CB 3.32Å; L191-H195 PolarHBondContact O-N 2.64Å; E192-H195 PolarHBondContact O-N 3.09Å; Q193-H195 VanDerWaalsContact C-N 3.3Å; Q193-H195 PolarHBondContact O-N 2.97Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.45Å; H195-L198 PolarHBondContact O-N 3.34Å; H195-L198 VanDerWaalsContact O-N 3.17Å; H195-Q199 PolarHBondContact NE2-NE2 3.39Å; H195-Q199 WeakPolarHBondContact O-CG 3.15Å; H195-Q199 PolarHBondContact O-N 2.95Å; H195-L244 HydrophobicContact CB-CD1 4.14Å
196R87.9Confident82.9Confident85 Ų8556.9 Ų56.932%0.32128%0.278SS..Hα-helixtrans-56.7-42.4174.7-78.9179.6-87.1169.2-18.8112V174 E192 Q193 Q199 V200V174-R196 HydrophobicContact CG1-CB 4.44Å; V174-R196 WeakPolarHBondContact O-CD 3.31Å; V174-R196 PolarHBondContact O-NH1 2.95Å; E192-R196 WeakPolarHBondContact O-CB 3.36Å; E192-R196 WeakPolarHBondContact O-CG 3.42Å; E192-R196 PolarHBondContact O-N 3.17Å; E192-R196 PolarHBondContact O-NE 3.42Å; E192-R196 IonicContact OE2-NH2 3.73Å; Q193-R196 PolarHBondContact O-N 3.18Å; R196-Q199 PolarHBondContact O-N 2.89Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.82Å
197L88.1Confident84.4Confident41 Ų4157 Ų5722%0.21527%0.274CS..Hα-helixtrans-63.8-39.1176.5-75.7168000112.9V174 L175 V184 V187 Q193 L194 H195 V200 A201V174-L197 HydrophobicContact CG1-CD2 4.32Å; L175-L197 HydrophobicContact CD2-CD1 4.12Å; L175-L197 HydrophobicContact CD2-CD2 4.05Å; L175-L197 HydrophobicContact CD2-CG 4.19Å; V184-L197 HydrophobicContact CG2-CD1 4.35Å; V187-L197 HydrophobicContact CG1-CD1 4.3Å; Q193-L197 WeakPolarHBondContact O-CB 3.46Å; Q193-L197 WeakPolarHBondContact O-CG 3.44Å; Q193-L197 PolarHBondContact O-N 3.08Å; L194-L197 PolarHBondContact O-N 3.41Å; H195-L197 VanDerWaalsContact C-N 3.3Å; H195-L197 PolarHBondContact O-N 3.45Å; L197-V200 PolarHBondContact O-N 3.39Å; L197-A201 PolarHBondContact O-N 3.4Å
198L89.7Confident85.7Confident14 Ų1462.4 Ų62.47%0.07331%0.309CS..Hα-helixtrans-65.2-37.1173.3-68.7169.9000111.9L194 H195 A201 R202 V223 C226 L244 A248 L251L194-L198 WeakPolarHBondContact O-CG 3.43Å; L194-L198 PolarHBondContact O-N 2.89Å; H195-L198 PolarHBondContact O-N 3.34Å; H195-L198 VanDerWaalsContact O-N 3.17Å; L198-A201 PolarHBondContact O-N 3.37Å; L198-R202 WeakPolarHBondContact O-CB 3.4Å; L198-R202 PolarHBondContact O-N 3.01Å; L198-V223 HydrophobicContact CD2-CG2 4.36Å; L198-C226 HydrophobicContact CD2-CB 4.41Å; L198-L244 HydrophobicContact CD1-CD1 3.87Å; L198-L244 HydrophobicContact CD1-CG 3.97Å; L198-A248 HydrophobicContact CD1-CB 3.89Å; L198-A248 HydrophobicContact CD2-CB 3.95Å; L198-L251 HydrophobicContact CB-CD2 4.36Å; L198-L251 HydrophobicContact CD2-CD2 3.93Å; L198-L251 WeakPolarHBondContact O-CD2 3.35Å
199Q90.1Very high86.6Confident65 Ų6569.7 Ų69.730%0.30434%0.341SS..Hα-helixtrans-68.6-35.9173.9-60.6-57.3-14.800112.6H195 R196 R202 S203H195-Q199 PolarHBondContact NE2-NE2 3.39Å; H195-Q199 WeakPolarHBondContact O-CG 3.15Å; H195-Q199 PolarHBondContact O-N 2.95Å; R196-Q199 PolarHBondContact O-N 2.89Å; Q199-R202 PolarHBondContact O-N 3.12Å; Q199-S203 PolarHBondContact O-N 3.27Å; Q199-S203 PolarHBondContact O-OG 3.15Å
200V90.4Very high87.2Confident50 Ų5066.9 Ų66.930%0.30333%0.33SS..Hα-helixtrans-65-42.8172171.70000111.1V174 R196 L197 R202 S203 L204V174-V200 HydrophobicContact CG1-CG2 3.88Å; V174-V200 HydrophobicContact CG2-CG2 3.74Å; R196-V200 WeakPolarHBondContact O-CG2 3.47Å; R196-V200 PolarHBondContact O-N 2.82Å; L197-V200 PolarHBondContact O-N 3.39Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3.02Å; V200-S203 PolarHBondContact O-N 2.88Å; V200-S203 PolarHBondContact O-OG 2.87Å; V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.22Å
201A90.9Very high87.2Confident8 Ų869.2 Ų69.27%0.06635%0.35CS..Hα-helixtrans-57.7-47.7172.200000111.1L197 L198 S203 L204 I205 L219 L251L197-A201 PolarHBondContact O-N 3.4Å; L198-A201 PolarHBondContact O-N 3.37Å; A201-S203 PolarHBondContact O-N 3.41Å; A201-L204 PolarHBondContact O-N 2.99Å; A201-I205 WeakPolarHBondContact O-CD1 3.47Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.38Å; A201-I205 VanDerWaalsContact O-N 3.09Å; A201-L219 HydrophobicContact CB-CD1 3.84Å; A201-L251 HydrophobicContact CB-CD2 3.82Å
202R90.8Very high87Confident77 Ų7768.6 Ų68.629%0.29135%0.346SS..Hα-helixtrans-58.6-41.7176.4-166.9178.8-173.4-174.93.7112.7L198 Q199 V200 R206 L251L198-R202 WeakPolarHBondContact O-CB 3.4Å; L198-R202 PolarHBondContact O-N 3.01Å; Q199-R202 PolarHBondContact O-N 3.12Å; V200-R202 VanDerWaalsContact C-N 3.34Å; V200-R202 PolarHBondContact O-N 3.02Å; R202-R206 WeakPolarHBondContact O-CG 3.43Å; R202-R206 PolarHBondContact O-N 3.37Å; R202-R206 VanDerWaalsContact O-N 3.11Å; R202-L251 HydrophobicContact CB-CD1 3.81Å; R202-L251 HydrophobicContact CG-CD1 4.07Å
203S90.9Very high86.6Confident70 Ų7063.4 Ų63.449%0.4933%0.33SS..Hα-helixtrans-72.4-35.1-179.8710000112.8Q199 V200 A201 R206 N207Q199-S203 PolarHBondContact O-N 3.27Å; Q199-S203 PolarHBondContact O-OG 3.15Å; V200-S203 PolarHBondContact O-N 2.88Å; V200-S203 PolarHBondContact O-OG 2.87Å; A201-S203 PolarHBondContact O-N 3.41Å; S203-R206 PolarHBondContact O-N 3.41Å; S203-N207 PolarHBondContact O-N 3.3Å
204L90.2Very high86.2Confident69 Ų6965.8 Ų65.836%0.36135%0.348SS..Hα-helixtrans-63-43.7172.4-70.9170.6000111.9V200 A201 N207 L210V200-L204 HydrophobicContact CG1-CD1 4.06Å; V200-L204 HydrophobicContact CG1-CG 4.43Å; V200-L204 VanDerWaalsContact O-CG 3.28Å; V200-L204 WeakPolarHBondContact O-CG 3.47Å; V200-L204 PolarHBondContact O-N 3.22Å; A201-L204 PolarHBondContact O-N 2.99Å; L204-N207 WeakPolarHBondContact O-CB 3.45Å; L204-N207 PolarHBondContact O-N 3.2Å; L204-L210 HydrophobicContact CD2-CD1 3.77Å
205I89.4Confident86Confident14 Ų1471.4 Ų71.47%0.07237%0.37CS..Hα-helixtrans-66.7-39.3178.9-65152.4000111.8A201 N207 L212 L219 L251 I255A201-I205 WeakPolarHBondContact O-CD1 3.47Å; A201-I205 VanDerWaalsContact O-CG1 3.27Å; A201-I205 WeakPolarHBondContact O-CG1 3.33Å; A201-I205 PolarHBondContact O-N 3.38Å; A201-I205 VanDerWaalsContact O-N 3.09Å; I205-N207 PolarHBondContact O-N 3.13Å; I205-L212 HydrophobicContact CG1-CD1 4.1Å; I205-L219 HydrophobicContact CD1-CD2 3.95Å; I205-L219 HydrophobicContact CG1-CD2 3.88Å; I205-L251 HydrophobicContact CD1-CD1 3.75Å; I205-L251 HydrophobicContact CD1-CG 4.47Å; I205-I255 HydrophobicContact CD1-CD1 3.77Å; I205-I255 HydrophobicContact CD1-CG1 3.29Å; I205-I255 HydrophobicContact CG1-CG1 4.16Å
206R89.4Confident86Confident172 Ų17268.5 Ų68.565%0.64936%0.356SS*.THydrogen-bonded Turntrans-73.4-5.4179.1-68.6179.698.1179.19.1113.7R202 S203 P208R202-R206 WeakPolarHBondContact O-CG 3.43Å; R202-R206 PolarHBondContact O-N 3.37Å; R202-R206 VanDerWaalsContact O-N 3.11Å; S203-R206 PolarHBondContact O-N 3.41Å; R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.45Å
207N89.2Confident85.9Confident61 Ų6169.6 Ų69.633%0.32636%0.361SS..  trans-85.9109.4-177.3-171.8-16.8000111.8S203 L204 I205 H209 L210S203-N207 PolarHBondContact O-N 3.3Å; L204-N207 WeakPolarHBondContact O-CB 3.45Å; L204-N207 PolarHBondContact O-N 3.2Å; I205-N207 PolarHBondContact O-N 3.13Å; N207-H209 PolarHBondContact O-N 2.84Å; N207-H209 VanDerWaalsContact O-N 3.09Å; N207-H209 WeakPolarHBondContact OD1-CB 3.4Å; N207-H209 PolarHBondContact OD1-N 3.28Å; N207-L210 HydrophobicContact CB-CB 4.5Å; N207-L210 HydrophobicContact CB-CD1 4Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.34Å
208P85.6Confident85.8Confident115 Ų11571.6 Ų71.675%0.74738%0.378SS*.THydrogen-bonded Turntrans-71.3-6.1-177.232.8-38000113.8R206R206-P208 VanDerWaalsContact O-CD 3.3Å; R206-P208 WeakPolarHBondContact O-CD 3.45Å
209H85.8Confident85.7Confident168 Ų16872.5 Ų72.578%0.77838%0.383SS*.THydrogen-bonded Turntrans-99.22.7-179.8-57.5-60.2000113.5N207N207-H209 PolarHBondContact O-N 2.84Å; N207-H209 VanDerWaalsContact O-N 3.09Å; N207-H209 WeakPolarHBondContact OD1-CB 3.4Å; N207-H209 PolarHBondContact OD1-N 3.28Å
210L84Confident85.8Confident77 Ų7769.4 Ų69.440%0.40337%0.368SS..  trans-112.6127.1179-65.5179.3000112.3L204 N207 L212L204-L210 HydrophobicContact CD2-CD1 3.77Å; N207-L210 HydrophobicContact CB-CB 4.5Å; N207-L210 HydrophobicContact CB-CD1 4Å; N207-L210 HydrophobicContact CB-CG 4.18Å; N207-L210 PolarHBondContact O-N 3.34Å; L210-L212 PolarHBondContact O-N 3.37Å
211C79.8Confident85.7Confident101 Ų10168.7 Ų68.768%0.68237%0.372SS*.  trans-91.883.8176.3-65.90000110.9L140 G213L140-C211 HydrophobicContact CD1-CB 4.19Å; C211-G213 VanDerWaalsContact C-N 3.27Å; C211-G213 PolarHBondContact O-N 3.33Å
212L76.6Confident85.6Confident25 Ų2570.5 Ų70.513%0.13138%0.383CS..  trans-71-13.9-176.3-68.5171.8000115.2I205 L210 P214 Y215 V216I205-L212 HydrophobicContact CG1-CD1 4.1Å; L210-L212 PolarHBondContact O-N 3.37Å; L212-P214 VanDerWaalsContact O-N 3.1Å; L212-Y215 WeakPolarHBondContact O-CA 3.25Å; L212-Y215 WeakPolarHBondContact O-CB 3.36Å; L212-Y215 PolarHBondContact O-N 3.45Å; L212-V216 HydrophobicContact CB-CG2 3.92Å; L212-V216 PolarHBondContact O-N 3.16Å; L212-V216 VanDerWaalsContact O-N 3.15Å
213G75.3Confident85.7Confident29 Ų2966.9 Ų66.930%0.29937%0.37SS..G310 helixtrans-22.9-68.6-170.400000117.7C211 Y215 V216C211-G213 VanDerWaalsContact C-N 3.27Å; C211-G213 PolarHBondContact O-N 3.33Å; G213-Y215 VanDerWaalsContact C-N 3.3Å; G213-Y215 PolarHBondContact O-N 2.84Å; G213-V216 PolarHBondContact O-N 3.13Å
214P74.7Confident85.7Confident78 Ų7864.2 Ų64.251%0.50635%0.35SS..G310 helixtrans-67.8-27.4-177.727.3-34.4000113.8L212L212-P214 VanDerWaalsContact O-N 3.1Å
215Y81.6Confident85.7Confident118 Ų11863 Ų6346%0.46334%0.341SS..G310 helixtrans-85.6-15.7-177.2-52.9-68.4000113.6Q149 L212 G213 R217 S218 L219Q149-Y215 PolarHBondContact OE1-OH 3.46Å; L212-Y215 WeakPolarHBondContact O-CA 3.25Å; L212-Y215 WeakPolarHBondContact O-CB 3.36Å; L212-Y215 PolarHBondContact O-N 3.45Å; G213-Y215 VanDerWaalsContact C-N 3.3Å; G213-Y215 PolarHBondContact O-N 2.84Å; Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3Å; Y215-S218 WeakPolarHBondContact O-CB 3.34Å; Y215-S218 PolarHBondContact O-N 3.09Å; Y215-L219 PolarHBondContact O-N 3.28Å
216V85.8Confident85.7Confident1 Ų162.6 Ų62.61%0.00634%0.339CS..Hα-helixtrans-53.7-41.6-178.8175.70000112L212 G213 S218 L219 V220 I255 H259 V263 L266L212-V216 HydrophobicContact CB-CG2 3.92Å; L212-V216 PolarHBondContact O-N 3.16Å; L212-V216 VanDerWaalsContact O-N 3.15Å; G213-V216 PolarHBondContact O-N 3.13Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.92Å; V216-L219 PolarHBondContact O-N 3.47Å; V216-V220 HydrophobicContact CG1-CG2 4.26Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 3.39Å; V216-V220 PolarHBondContact O-N 3.3Å; V216-I255 HydrophobicContact CG1-CG2 3.84Å; V216-H259 HydrophobicContact CG1-CB 4.2Å; V216-H259 HydrophobicContact CG2-CB 4.17Å; V216-V263 HydrophobicContact CB-CG2 3.96Å; V216-V263 HydrophobicContact CG1-CG2 4.04Å; V216-V263 HydrophobicContact CG2-CG2 4.43Å; V216-L266 HydrophobicContact CG1-CD2 3.94Å
217R85.4Confident85.8Confident108 Ų10854.4 Ų54.441%0.40831%0.308SS..Hα-helixtrans-62.6-37.3177.2-68.1-167.1-177.798.8-1.7112.9Y215 G221 V263 S264 L266Y215-R217 VanDerWaalsContact C-N 3.28Å; Y215-R217 PolarHBondContact O-N 3Å; R217-G221 PolarHBondContact O-N 3.03Å; R217-V263 HydrophobicContact CG-CG1 3.64Å; R217-S264 PolarHBondContact NH2-O 3.38Å; R217-L266 HydrophobicContact CG-CD1 4.4Å
218S86.2Confident85.8Confident83 Ų8352 Ų5258%0.5830%0.295SS*.Hα-helixtrans-71.7-39.7177.5-170.40000111.7Y215 V216 G221 S222Y215-S218 WeakPolarHBondContact O-CB 3.34Å; Y215-S218 PolarHBondContact O-N 3.09Å; V216-S218 VanDerWaalsContact C-N 3.33Å; V216-S218 PolarHBondContact O-N 2.92Å; S218-G221 PolarHBondContact O-N 3.25Å; S218-S222 PolarHBondContact O-N 3.23Å; S218-S222 PolarHBondContact O-OG 3.49Å
219L88.8Confident85.9Confident33 Ų3349.7 Ų49.717%0.17328%0.275CS..Hα-helixtrans-64-46.8174.8-171.761.9000111.2A201 I205 Y215 V216 G221 S222 V223 I255A201-L219 HydrophobicContact CB-CD1 3.84Å; I205-L219 HydrophobicContact CD1-CD2 3.95Å; I205-L219 HydrophobicContact CG1-CD2 3.88Å; Y215-L219 PolarHBondContact O-N 3.28Å; V216-L219 PolarHBondContact O-N 3.47Å; L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.87Å; L219-S222 WeakPolarHBondContact O-CA 3.39Å; L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.29Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.08Å; L219-I255 HydrophobicContact CD2-CD1 4.48Å; L219-I255 HydrophobicContact CG-CD1 4.45Å
220V90.9Very high85.7Confident0 Ų044.8 Ų44.80%026%0.258CS..Hα-helixtrans-60.2-40.3174.3166.40000111.4V216 S222 V223 L224 L252 I255 L266 I270V216-V220 HydrophobicContact CG1-CG2 4.26Å; V216-V220 WeakPolarHBondContact O-CB 3.49Å; V216-V220 WeakPolarHBondContact O-CG2 3.39Å; V216-V220 PolarHBondContact O-N 3.3Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.05Å; V220-V223 PolarHBondContact O-N 3.41Å; V220-L224 HydrophobicContact CG1-CD1 3.74Å; V220-L224 HydrophobicContact CG1-CG 4.2Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.29Å; V220-L224 PolarHBondContact O-N 2.92Å; V220-L252 HydrophobicContact CG1-CD1 3.86Å; V220-L252 HydrophobicContact CG2-CD1 4.43Å; V220-I255 HydrophobicContact CG2-CB 4.37Å; V220-I255 HydrophobicContact CG2-CD1 4.23Å; V220-I255 HydrophobicContact CG2-CG2 3.55Å; V220-L266 HydrophobicContact CB-CD1 4.32Å; V220-L266 HydrophobicContact CG1-CD1 4.15Å; V220-L266 HydrophobicContact CG2-CD1 4.17Å; V220-L266 HydrophobicContact CG2-CD2 4.43Å; V220-I270 HydrophobicContact CG1-CD1 4Å; V220-I270 HydrophobicContact CG1-CG1 3.79Å
221G89.8Confident85.5Confident36 Ų3641.2 Ų41.237%0.37124%0.239SC..Hα-helixtrans-60-37.3172.500000113.4R217 S218 L219 Y225R217-G221 PolarHBondContact O-N 3.03Å; S218-G221 PolarHBondContact O-N 3.25Å; L219-G221 VanDerWaalsContact C-N 3.32Å; L219-G221 PolarHBondContact O-N 2.87Å; G221-Y225 PolarHBondContact O-N 3.19Å; G221-Y225 VanDerWaalsContact O-N 3.07Å
222S88.5Confident85.2Confident45 Ų4537.7 Ų37.732%0.31522%0.217SC..Hα-helixtrans-71.6-38.5176.5-53.80000112.6S218 L219 V220 Y225 C226S218-S222 PolarHBondContact O-N 3.23Å; S218-S222 PolarHBondContact O-OG 3.49Å; L219-S222 WeakPolarHBondContact O-CA 3.39Å; L219-S222 WeakPolarHBondContact O-CB 3.44Å; L219-S222 PolarHBondContact O-N 3.29Å; V220-S222 VanDerWaalsContact C-N 3.29Å; V220-S222 PolarHBondContact O-N 3.05Å; S222-Y225 WeakPolarHBondContact O-CB 3.15Å; S222-Y225 PolarHBondContact O-N 2.86Å; S222-C226 PolarHBondContact O-N 3.46Å
223V92.4Very high85Confident2 Ų236.7 Ų36.71%0.01221%0.212CC..Hα-helixtrans-70.1-42.8174.9177.80000111L198 L219 V220 Y225 C226 V227 A248 L251 L252 I255L198-V223 HydrophobicContact CD2-CG2 4.36Å; L219-V223 WeakPolarHBondContact O-CG2 3.44Å; L219-V223 PolarHBondContact O-N 3.08Å; V220-V223 PolarHBondContact O-N 3.41Å; V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 PolarHBondContact O-N 3.42Å; V223-C226 WeakPolarHBondContact O-CB 3.34Å; V223-C226 PolarHBondContact O-N 2.64Å; V223-C226 VanDerWaalsContact O-N 3.09Å; V223-V227 HydrophobicContact CG1-CG2 4.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.18Å; V223-V227 PolarHBondContact O-N 3.45Å; V223-A248 HydrophobicContact CG1-CB 4.24Å; V223-A248 WeakPolarHBondContact CG1-O 3.19Å; V223-L251 HydrophobicContact CG2-CD2 3.96Å; V223-L251 HydrophobicContact CG2-CG 4.45Å; V223-L252 HydrophobicContact CG1-CB 3.95Å; V223-I255 HydrophobicContact CG2-CD1 4.03Å
224L90.8Very high85Confident14 Ų1436.5 Ų36.57%0.07321%0.206CC..Hα-helixtrans-60.5-33.5174.8-77.7170.4000112.5V220 V227 L228 L252 I270 L274V220-L224 HydrophobicContact CG1-CD1 3.74Å; V220-L224 HydrophobicContact CG1-CG 4.2Å; V220-L224 VanDerWaalsContact O-CB 3.3Å; V220-L224 WeakPolarHBondContact O-CB 3.25Å; V220-L224 VanDerWaalsContact O-CG 3.31Å; V220-L224 WeakPolarHBondContact O-CG 3.29Å; V220-L224 PolarHBondContact O-N 2.92Å; L224-V227 PolarHBondContact O-N 3.34Å; L224-L228 HydrophobicContact CD2-CD1 3.89Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 PolarHBondContact O-N 3.17Å; L224-L252 HydrophobicContact CD2-CD1 4.33Å; L224-L252 HydrophobicContact CD2-CD2 3.66Å; L224-L252 HydrophobicContact CG-CD1 4.24Å; L224-L252 HydrophobicContact CG-CD2 4.42Å; L224-I270 HydrophobicContact CD1-CG1 4.48Å; L224-L274 HydrophobicContact CD2-CD2 4.46Å
225Y89.8Confident85.1Confident44 Ų4439.5 Ų39.517%0.17322%0.217CC..Hα-helixtrans-58.7-48.2171.8-179-97.4000111.3V184 K185 G221 S222 V223 V227 E229 L231V184-Y225 HydrophobicContact CG1-CD1 4.09Å; V184-Y225 HydrophobicContact CG1-CE1 4.49Å; K185-Y225 HydrophobicContact CG-CE2 4.19Å; G221-Y225 PolarHBondContact O-N 3.19Å; G221-Y225 VanDerWaalsContact O-N 3.07Å; S222-Y225 WeakPolarHBondContact O-CB 3.15Å; S222-Y225 PolarHBondContact O-N 2.86Å; V223-Y225 VanDerWaalsContact C-N 3.26Å; V223-Y225 PolarHBondContact O-N 3.42Å; Y225-V227 VanDerWaalsContact C-N 3.32Å; Y225-V227 PolarHBondContact O-N 2.84Å; Y225-E229 HydrophobicContact CD2-CB 3.93Å; Y225-E229 HydrophobicContact CD2-CG 3.58Å; Y225-E229 HydrophobicContact CE2-CB 3.86Å; Y225-E229 HydrophobicContact CE2-CG 3.83Å; Y225-E229 HydrophobicContact CG-CG 4.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.38Å; Y225-E229 PolarHBondContact O-N 3.07Å; Y225-L231 HydrophobicContact CE1-CD2 4.04Å
226C89.9Confident85Confident4 Ų437.1 Ų37.13%0.02721%0.212CC..Hα-helixtrans-65.2-32.3176.1-57.70000113.3L198 S222 V223 L244 A248L198-C226 HydrophobicContact CD2-CB 4.41Å; S222-C226 PolarHBondContact O-N 3.46Å; V223-C226 WeakPolarHBondContact O-CB 3.34Å; V223-C226 PolarHBondContact O-N 2.64Å; V223-C226 VanDerWaalsContact O-N 3.09Å; C226-L244 HydrophobicContact CB-CD2 4.49Å; C226-A248 HydrophobicContact CB-CB 4.12Å
227V91.1Very high84.5Confident0 Ų041.2 Ų41.20%024%0.239CC..Hα-helixtrans-75.6-42.7178176.50000112.1V223 L224 Y225 R245 A248 G290V223-V227 HydrophobicContact CG1-CG2 4.42Å; V223-V227 WeakPolarHBondContact O-CG2 3.18Å; V223-V227 PolarHBondContact O-N 3.45Å; L224-V227 PolarHBondContact O-N 3.34Å; Y225-V227 VanDerWaalsContact C-N 3.32Å; Y225-V227 PolarHBondContact O-N 2.84Å; V227-R245 PolarHBondContact O-NH1 3.39Å; V227-A248 HydrophobicContact CG2-CB 3.51Å; V227-G290 WeakPolarHBondContact CG1-O 3.35Å; V227-G290 WeakPolarHBondContact O-CA 3.39Å
228L89.9Confident84.1Confident11 Ų1143.4 Ų43.46%0.05826%0.258CS..Hα-helixtrans-112.3-26.3-162.3-62.1174.3000115.9L224 L274 V277 S287 A291L224-L228 HydrophobicContact CD2-CD1 3.89Å; L224-L228 WeakPolarHBondContact O-CB 3.46Å; L224-L228 PolarHBondContact O-N 3.17Å; L228-L274 HydrophobicContact CD1-CD2 4.21Å; L228-L274 HydrophobicContact CD2-CD2 3.79Å; L228-L274 HydrophobicContact CG-CD2 4.39Å; L228-V277 HydrophobicContact CB-CG2 4.31Å; L228-V277 HydrophobicContact CD1-CG2 4.31Å; L228-V277 HydrophobicContact CD2-CB 4.5Å; L228-V277 HydrophobicContact CD2-CG2 4.03Å; L228-V277 HydrophobicContact CG-CG2 4.45Å; L228-S287 WeakPolarHBondContact O-CB 3.2Å; L228-S287 PolarHBondContact O-OG 3.1Å; L228-A291 HydrophobicContact CD2-CB 3.81Å
229E87.6Confident84Confident66 Ų6642 Ų4231%0.30824%0.243SC..SBendtrans-84152.8-174.8-67.5-66.9115.700111.6Y225 L231 R245 R283Y225-E229 HydrophobicContact CD2-CB 3.93Å; Y225-E229 HydrophobicContact CD2-CG 3.58Å; Y225-E229 HydrophobicContact CE2-CB 3.86Å; Y225-E229 HydrophobicContact CE2-CG 3.83Å; Y225-E229 HydrophobicContact CG-CG 4.4Å; Y225-E229 WeakPolarHBondContact O-CB 3.38Å; Y225-E229 PolarHBondContact O-N 3.07Å; E229-L231 PolarHBondContact O-N 2.96Å; E229-L231 VanDerWaalsContact O-N 3.16Å; E229-R245 PolarHBondContact O-NH1 2.82Å; E229-R245 PolarHBondContact O-NH2 3.14Å; E229-R283 IonicContact OE1-CZ 3.47Å; E229-R283 IonicContact OE1-NH1 3.94Å; E229-R283 PolarHBondContact OE1-NH1 2.81Å; E229-R283 IonicContact OE1-NH2 3.37Å
230P81.2Confident83.8Confident66 Ų6644 Ų4443%0.42926%0.255SS..  trans-72.7103.6170.828.2-31.4000109.3P284P230-P284 HydrophobicContact CB-CG 3.87Å; P230-P284 HydrophobicContact CG-CG 4.39Å
231L79.4Confident83.7Confident2 Ų244.4 Ų44.41%0.0126%0.256CS..  trans-72.2141.4175-60.5170.2000108.5L194 Y225 E229 A233 S234 L244L194-L231 HydrophobicContact CD1-CD1 3.85Å; L194-L231 HydrophobicContact CD1-CD2 3.94Å; L194-L231 HydrophobicContact CD1-CG 4.43Å; Y225-L231 HydrophobicContact CE1-CD2 4.04Å; E229-L231 PolarHBondContact O-N 2.96Å; E229-L231 VanDerWaalsContact O-N 3.16Å; L231-A233 HydrophobicContact CB-CB 4.48Å; L231-A233 PolarHBondContact O-N 3.35Å; L231-S234 PolarHBondContact O-N 3.48Å; L231-S234 PolarHBondContact O-OG 3.44Å; L231-L244 HydrophobicContact CD1-CD2 3.55Å
232A73.2Confident83.7Confident27 Ų2743.8 Ų43.822%0.22324%0.243CC..G310 helixtrans-60.7-30.6175.100000111.2S188 H189 S234 I235S188-A232 PolarHBondContact O-N 3.41Å; H189-A232 WeakPolarHBondContact CE1-CB 3.4Å; H189-A232 VanDerWaalsContact ND1-CB 3.25Å; H189-A232 WeakPolarHBondContact ND1-CB 3.41Å; A232-S234 PolarHBondContact O-N 2.88Å; A232-I235 WeakPolarHBondContact O-CB 3.48Å; A232-I235 WeakPolarHBondContact O-CG1 3.29Å; A232-I235 PolarHBondContact O-N 3.09Å; A232-I235 VanDerWaalsContact O-N 3.13Å
233A73.3Confident83.8Confident3 Ų344.6 Ų44.63%0.02525%0.246CC..G310 helixtrans-57.5-26.3170.100000114.3S188 L191 L231 I235 N239S188-A233 PolarHBondContact O-N 2.86Å; L191-A233 HydrophobicContact CD1-CB 3.75Å; L231-A233 HydrophobicContact CB-CB 4.48Å; L231-A233 PolarHBondContact O-N 3.35Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 PolarHBondContact O-N 3.18Å; A233-N239 VanDerWaalsContact O-CB 3.3Å; A233-N239 WeakPolarHBondContact O-CB 3.36Å; A233-N239 PolarHBondContact O-ND2 2.98Å
234S75.4Confident83.7Confident25 Ų2544.6 Ų44.618%0.17525%0.246CC..G310 helixtrans-80.4-2.5177.263.90000115L231 A232 N236 H241L231-S234 PolarHBondContact O-N 3.48Å; L231-S234 PolarHBondContact O-OG 3.44Å; A232-S234 PolarHBondContact O-N 2.88Å; S234-N236 VanDerWaalsContact C-N 3.34Å; S234-H241 VanDerWaalsContact CB-CD2 3.46Å; S234-H241 WeakPolarHBondContact CB-CD2 3.45Å; S234-H241 WeakPolarHBondContact CB-NE2 3.5Å
235I77.2Confident83.8Confident142 Ų14243.9 Ų43.973%0.72824%0.242SC*.G310 helixtrans-75.9-27.9172.7-58.4171.9000110.7A232 A233 P237A232-I235 WeakPolarHBondContact O-CB 3.48Å; A232-I235 WeakPolarHBondContact O-CG1 3.29Å; A232-I235 PolarHBondContact O-N 3.09Å; A232-I235 VanDerWaalsContact O-N 3.13Å; A233-I235 VanDerWaalsContact C-N 3.29Å; A233-I235 PolarHBondContact O-N 3.18Å; I235-P237 WeakPolarHBondContact O-CD 3.25Å
236N78.3Confident84Confident67 Ų6743.6 Ų43.636%0.35824%0.244SC..SBendtrans-89.8116.3177.3-178.75.2000110.3S234 L238 N239S234-N236 VanDerWaalsContact C-N 3.34Å; N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.17Å; N236-L238 WeakPolarHBondContact OD1-CB 3.37Å; N236-L238 PolarHBondContact OD1-N 3.3Å; N236-L238 VanDerWaalsContact OD1-N 3.1Å; N236-N239 HydrophobicContact CB-CB 4.5Å; N236-N239 PolarHBondContact ND2-OD1 3.21Å; N236-N239 WeakPolarHBondContact O-CB 3.33Å; N236-N239 PolarHBondContact O-N 2.9Å; N236-N239 VanDerWaalsContact O-N 3.07Å
237P75Confident84.1Confident87 Ų8744.8 Ų44.857%0.56526%0.256SS*.THydrogen-bonded Turntrans-66.9-14.9-179.428.3-36.1000113.8I235 N239I235-P237 WeakPolarHBondContact O-CD 3.25Å; P237-N239 VanDerWaalsContact C-N 3.3Å
238L77.8Confident84.2Confident155 Ų15544.8 Ų44.881%0.81226%0.256SS*.THydrogen-bonded Turntrans-75.9-17173.8-59.2176.7000113.2N236N236-L238 PolarHBondContact O-N 3.44Å; N236-L238 VanDerWaalsContact O-N 3.17Å; N236-L238 WeakPolarHBondContact OD1-CB 3.37Å; N236-L238 PolarHBondContact OD1-N 3.3Å; N236-L238 VanDerWaalsContact OD1-N 3.1Å
239N84.1Confident84.5Confident52 Ų5244.2 Ų44.228%0.27825%0.253SS..SBendtrans-87.1117-178.9-71.3-10.6000110.7A233 N236 P237 H241A233-N239 VanDerWaalsContact O-CB 3.3Å; A233-N239 WeakPolarHBondContact O-CB 3.36Å; A233-N239 PolarHBondContact O-ND2 2.98Å; N236-N239 HydrophobicContact CB-CB 4.5Å; N236-N239 PolarHBondContact ND2-OD1 3.21Å; N236-N239 WeakPolarHBondContact O-CB 3.33Å; N236-N239 PolarHBondContact O-N 2.9Å; N236-N239 VanDerWaalsContact O-N 3.07Å; P237-N239 VanDerWaalsContact C-N 3.3Å; N239-H241 PolarHBondContact O-N 2.96Å; N239-H241 PolarHBondContact O-ND1 3.38Å
240D85.4Confident84.8Confident77 Ų7745 Ų4541%0.41226%0.259SS..  trans-74.769.8174.1-177.530.7000112.5L191 W242 T243L191-D240 VanDerWaalsContact CD2-O 3.26Å; L191-D240 WeakPolarHBondContact CD2-O 3.3Å; D240-W242 PolarHBondContact O-N 3.4Å; D240-W242 PolarHBondContact OD1-N 3.13Å; D240-T243 PolarHBondContact O-OG1 3.4Å; D240-T243 WeakPolarHBondContact OD2-CB 3.19Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T243 PolarHBondContact OD2-OG1 2.91Å
241H87.3Confident85.4Confident7 Ų742.2 Ų42.23%0.03224%0.241CC..Hα-helixtrans-75.7-5.5175.967-86.8000113.3L191 S234 N239 R245L191-H241 HydrophobicContact CD1-CB 3.72Å; S234-H241 VanDerWaalsContact CB-CD2 3.46Å; S234-H241 WeakPolarHBondContact CB-CD2 3.45Å; S234-H241 WeakPolarHBondContact CB-NE2 3.5Å; N239-H241 PolarHBondContact O-N 2.96Å; N239-H241 PolarHBondContact O-ND1 3.38Å; H241-R245 PolarHBondContact O-N 3.12Å
242W89.9Confident86Confident24 Ų2442.1 Ų42.19%0.09124%0.24CC..Hα-helixtrans-72.4-49.5179.4-53.498.3000110.7D240 L244 R245 D246 C286 Y289 D335 K338D240-W242 PolarHBondContact O-N 3.4Å; D240-W242 PolarHBondContact OD1-N 3.13Å; W242-L244 PolarHBondContact O-N 3.3Å; W242-R245 WeakPolarHBondContact O-CA 3.41Å; W242-R245 WeakPolarHBondContact O-CB 3.41Å; W242-R245 PolarHBondContact O-N 2.91Å; W242-D246 PolarHBondContact O-N 3.36Å; W242-C286 HydrophobicContact CH2-CB 4.16Å; W242-C286 HydrophobicContact CZ3-CB 4.29Å; W242-Y289 HydrophobicContact CB-CE1 4.48Å; W242-Y289 AromaticContact CE3-CD1 3.59Å; W242-Y289 HydrophobicContact CE3-CD1 3.59Å; W242-Y289 AromaticContact CE3-CD2 3.98Å; W242-Y289 HydrophobicContact CE3-CD2 3.98Å; W242-Y289 AromaticContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE2 4.21Å; W242-Y289 AromaticContact CE3-CG 3.65Å; W242-Y289 HydrophobicContact CE3-CG 3.65Å; W242-Y289 AromaticContact CZ3-CD1 3.97Å; W242-Y289 HydrophobicContact CZ3-CD1 3.97Å; W242-Y289 AromaticContact CZ3-CD2 3.96Å; W242-Y289 HydrophobicContact CZ3-CD2 3.96Å; W242-Y289 AromaticContact CZ3-CG 3.6Å; W242-Y289 HydrophobicContact CZ3-CG 3.6Å; W242-D335 HydrophobicContact CH2-CB 4.06Å; W242-D335 HydrophobicContact CZ2-CB 4.29Å; W242-D335 WeakPolarHBondContact CZ2-OD1 3.49Å; W242-K338 HydrophobicContact CD2-CG 4.47Å; W242-K338 HydrophobicContact CE3-CB 4.31Å; W242-K338 HydrophobicContact CH2-CB 4.16Å; W242-K338 HydrophobicContact CH2-CG 4.34Å; W242-K338 HydrophobicContact CZ2-CG 4.26Å; W242-K338 HydrophobicContact CZ3-CB 4.01Å; W242-K338 HydrophobicContact CZ3-CG 4.48Å
243T91.3Very high87Confident61 Ų6141.6 Ų41.637%0.37424%0.235SC..Hα-helixtrans-62.7-29.4177.452.50000113.1D240 D246 G247D240-T243 PolarHBondContact O-OG1 3.4Å; D240-T243 WeakPolarHBondContact OD2-CB 3.19Å; D240-T243 WeakPolarHBondContact OD2-CG2 3.27Å; D240-T243 PolarHBondContact OD2-OG1 2.91Å; T243-D246 PolarHBondContact O-N 3.03Å; T243-G247 PolarHBondContact O-N 3.48Å
244L90.9Very high87.9Confident2 Ų244.8 Ų44.81%0.0125%0.249CC..Hα-helixtrans-63-45.2169.8-172.8102.9000111.6L191 L194 H195 L198 C226 L231 W242 G247 A248L191-L244 HydrophobicContact CG-CD1 4.4Å; L194-L244 HydrophobicContact CB-CD1 3.73Å; L194-L244 HydrophobicContact CB-CD2 4.25Å; L194-L244 HydrophobicContact CD1-CD2 4.21Å; H195-L244 HydrophobicContact CB-CD1 4.14Å; L198-L244 HydrophobicContact CD1-CD1 3.87Å; L198-L244 HydrophobicContact CD1-CG 3.97Å; C226-L244 HydrophobicContact CB-CD2 4.49Å; L231-L244 HydrophobicContact CD1-CD2 3.55Å; W242-L244 PolarHBondContact O-N 3.3Å; L244-G247 PolarHBondContact O-N 2.91Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 2.78Å
245R92.4Very high88.6Confident0 Ų043.7 Ų43.70%024%0.241CC..Hα-helixtrans-65.1-39.6177.6-68.6-177.3-167.6-84.3-1.7111.1V227 E229 H241 W242 A248 A249 C286 Y289V227-R245 PolarHBondContact O-NH1 3.39Å; E229-R245 PolarHBondContact O-NH1 2.82Å; E229-R245 PolarHBondContact O-NH2 3.14Å; H241-R245 PolarHBondContact O-N 3.12Å; W242-R245 WeakPolarHBondContact O-CA 3.41Å; W242-R245 WeakPolarHBondContact O-CB 3.41Å; W242-R245 PolarHBondContact O-N 2.91Å; R245-A248 PolarHBondContact O-N 3.28Å; R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.42Å; R245-C286 VanDerWaalsContact CD-O 3.31Å; R245-C286 WeakPolarHBondContact CD-O 3.37Å; R245-C286 PolarHBondContact NE-O 3.43Å; R245-C286 PolarHBondContact NH2-SG 3.5Å; R245-C286 VanDerWaalsContact NH2-SG 3.41Å; R245-Y289 HydrophobicContact CB-CD1 4.43Å; R245-Y289 HydrophobicContact CB-CE1 4.47Å
246D92.8Very high89.2Confident38 Ų3838.5 Ų38.520%0.20321%0.214CC..Hα-helixtrans-61.8-50.5175.6-63.4-23.6000111.7W242 T243 A248 A249 L250 Y289W242-D246 PolarHBondContact O-N 3.36Å; T243-D246 PolarHBondContact O-N 3.03Å; D246-A248 VanDerWaalsContact C-N 3.32Å; D246-A248 PolarHBondContact O-N 3.02Å; D246-A249 PolarHBondContact O-N 3.41Å; D246-L250 WeakPolarHBondContact O-CG 3.31Å; D246-L250 PolarHBondContact O-N 3.14Å; D246-Y289 WeakPolarHBondContact OD1-CE1 3.38Å; D246-Y289 PolarHBondContact OD1-OH 3.4Å; D246-Y289 VanDerWaalsContact OD1-OH 3.05Å; D246-Y289 PolarHBondContact OD2-OH 3.38Å
247G91.9Very high89.7Confident28 Ų2843.7 Ų43.729%0.28923%0.228SC..Hα-helixtrans-61.1-38.5176.600000112.9T243 L244 L251T243-G247 PolarHBondContact O-N 3.48Å; L244-G247 PolarHBondContact O-N 2.91Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 2.93Å
248A94.2Very high90.2Very high0 Ų042.6 Ų42.60%022%0.22CC..Hα-helixtrans-69.1-38175.700000112.5L198 V223 C226 V227 L244 R245 D246 L251 L252L198-A248 HydrophobicContact CD1-CB 3.89Å; L198-A248 HydrophobicContact CD2-CB 3.95Å; V223-A248 HydrophobicContact CG1-CB 4.24Å; V223-A248 WeakPolarHBondContact CG1-O 3.19Å; C226-A248 HydrophobicContact CB-CB 4.12Å; V227-A248 HydrophobicContact CG2-CB 3.51Å; L244-A248 VanDerWaalsContact O-CB 3.27Å; L244-A248 WeakPolarHBondContact O-CB 3.32Å; L244-A248 PolarHBondContact O-N 2.78Å; R245-A248 PolarHBondContact O-N 3.28Å; D246-A248 VanDerWaalsContact C-N 3.32Å; D246-A248 PolarHBondContact O-N 3.02Å; A248-L251 PolarHBondContact O-N 2.82Å; A248-L252 WeakPolarHBondContact O-CB 3.33Å; A248-L252 PolarHBondContact O-N 3.25Å
249A95.1Very high90.4Very high0 Ų036.6 Ų36.60%019%0.188CC..Hα-helixtrans-67-40.9175.100000112.3R245 D246 L252 S253 V293 A297R245-A249 WeakPolarHBondContact O-CB 3.36Å; R245-A249 PolarHBondContact O-N 3.42Å; D246-A249 PolarHBondContact O-N 3.41Å; A249-L252 WeakPolarHBondContact O-CB 3.47Å; A249-L252 PolarHBondContact O-N 2.97Å; A249-S253 PolarHBondContact O-N 3.32Å; A249-V293 HydrophobicContact CB-CB 4.43Å; A249-V293 HydrophobicContact CB-CG1 3.78Å; A249-A297 HydrophobicContact CB-CB 4.25Å; A249-A297 WeakPolarHBondContact O-CB 3.3Å
250L94.3Very high90.2Very high81 Ų8134.8 Ų34.842%0.42418%0.181SC..Hα-helixtrans-63.3-41.7172.4-70.4173.4000111.7D246 S253 H254D246-L250 WeakPolarHBondContact O-CG 3.31Å; D246-L250 PolarHBondContact O-N 3.14Å; L250-S253 PolarHBondContact O-N 3.38Å; L250-H254 PolarHBondContact O-N 3.35Å
251L93.4Very high89.8Confident9 Ų939.3 Ų39.35%0.04721%0.205CC..Hα-helixtrans-64.2-41.3175-176.961.8000112.1L198 A201 R202 I205 V223 G247 A248 S253 H254 I255L198-L251 HydrophobicContact CB-CD2 4.36Å; L198-L251 HydrophobicContact CD2-CD2 3.93Å; L198-L251 WeakPolarHBondContact O-CD2 3.35Å; A201-L251 HydrophobicContact CB-CD2 3.82Å; R202-L251 HydrophobicContact CB-CD1 3.81Å; R202-L251 HydrophobicContact CG-CD1 4.07Å; I205-L251 HydrophobicContact CD1-CD1 3.75Å; I205-L251 HydrophobicContact CD1-CG 4.47Å; V223-L251 HydrophobicContact CG2-CD2 3.96Å; V223-L251 HydrophobicContact CG2-CG 4.45Å; G247-L251 WeakPolarHBondContact O-CB 3.47Å; G247-L251 PolarHBondContact O-N 2.93Å; A248-L251 PolarHBondContact O-N 2.82Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.39Å; L251-H254 WeakPolarHBondContact O-CB 3.45Å; L251-H254 PolarHBondContact O-N 2.98Å; L251-I255 HydrophobicContact CG-CD1 4.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 3.18Å
252L93.9Very high89.1Confident0 Ų044.6 Ų44.60%023%0.233CC..Hα-helixtrans-59.4-44.3175.2-179.365.2000111.5V220 V223 L224 A248 A249 I255 F256 I270V220-L252 HydrophobicContact CG1-CD1 3.86Å; V220-L252 HydrophobicContact CG2-CD1 4.43Å; V223-L252 HydrophobicContact CG1-CB 3.95Å; L224-L252 HydrophobicContact CD2-CD1 4.33Å; L224-L252 HydrophobicContact CD2-CD2 3.66Å; L224-L252 HydrophobicContact CG-CD1 4.24Å; L224-L252 HydrophobicContact CG-CD2 4.42Å; A248-L252 WeakPolarHBondContact O-CB 3.33Å; A248-L252 PolarHBondContact O-N 3.25Å; A249-L252 WeakPolarHBondContact O-CB 3.47Å; A249-L252 PolarHBondContact O-N 2.97Å; L252-I255 PolarHBondContact O-N 3.3Å; L252-F256 PolarHBondContact O-N 2.97Å; L252-I270 HydrophobicContact CD1-CD1 3.92Å; L252-I270 HydrophobicContact CD1-CG1 4.25Å; L252-I270 HydrophobicContact CD1-CG2 4.48Å; L252-I270 HydrophobicContact CD2-CG2 4Å; L252-I270 HydrophobicContact CG-CG2 4.42Å
253S93.4Very high88.5Confident15 Ų1543.7 Ų43.711%0.10523%0.23CC..Hα-helixtrans-62.2-44.5173.1-174.90000111.7A249 L250 L251 I255 F256 W257 A297A249-S253 PolarHBondContact O-N 3.32Å; L250-S253 PolarHBondContact O-N 3.38Å; L251-S253 VanDerWaalsContact C-N 3.34Å; L251-S253 PolarHBondContact O-N 3.39Å; S253-I255 VanDerWaalsContact C-N 3.35Å; S253-I255 PolarHBondContact O-N 3.39Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 2.93Å; S253-F256 VanDerWaalsContact O-N 3.12Å; S253-W257 PolarHBondContact O-N 2.72Å; S253-W257 PolarHBondContact OG-NE1 3.49Å; S253-A297 VanDerWaalsContact CB-O 3.25Å; S253-A297 WeakPolarHBondContact CB-O 3.39Å; S253-A297 PolarHBondContact OG-O 3.42Å
254H91.6Very high87.9Confident71 Ų7145.7 Ų45.733%0.32925%0.246SC..Hα-helixtrans-59.6-42.3176.7-171.460.3000112.5L250 L251 F256 W257 T258L250-H254 PolarHBondContact O-N 3.35Å; L251-H254 WeakPolarHBondContact O-CB 3.45Å; L251-H254 PolarHBondContact O-N 2.98Å; H254-F256 VanDerWaalsContact C-N 3.35Å; H254-W257 PolarHBondContact O-N 2.73Å; H254-T258 WeakPolarHBondContact O-CB 3.32Å; H254-T258 WeakPolarHBondContact O-CG2 3.1Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 PolarHBondContact O-OG1 2.84Å
255I90.8Very high87.5Confident1 Ų147.4 Ų47.41%0.00527%0.265CS..Hα-helixtrans-61.3-43.7174.1-64.6161.4000111.1I205 V216 L219 V220 V223 L251 L252 S253 T258 H259I205-I255 HydrophobicContact CD1-CD1 3.77Å; I205-I255 HydrophobicContact CD1-CG1 3.29Å; I205-I255 HydrophobicContact CG1-CG1 4.16Å; V216-I255 HydrophobicContact CG1-CG2 3.84Å; L219-I255 HydrophobicContact CD2-CD1 4.48Å; L219-I255 HydrophobicContact CG-CD1 4.45Å; V220-I255 HydrophobicContact CG2-CB 4.37Å; V220-I255 HydrophobicContact CG2-CD1 4.23Å; V220-I255 HydrophobicContact CG2-CG2 3.55Å; V223-I255 HydrophobicContact CG2-CD1 4.03Å; L251-I255 HydrophobicContact CG-CD1 4.29Å; L251-I255 WeakPolarHBondContact O-CG1 3.34Å; L251-I255 PolarHBondContact O-N 3.18Å; L252-I255 PolarHBondContact O-N 3.3Å; S253-I255 VanDerWaalsContact C-N 3.35Å; S253-I255 PolarHBondContact O-N 3.39Å; I255-T258 PolarHBondContact O-N 3.13Å; I255-T258 PolarHBondContact O-OG1 3.4Å; I255-H259 PolarHBondContact O-N 3.26Å
256F89.8Confident87.2Confident34 Ų3447.4 Ų47.415%0.14927%0.265CS..Hα-helixtrans-60.9-47179.2168.7-113.5000111.7L252 S253 H254 G260 Y267 L298L252-F256 PolarHBondContact O-N 2.97Å; S253-F256 WeakPolarHBondContact O-CB 3.4Å; S253-F256 PolarHBondContact O-N 2.93Å; S253-F256 VanDerWaalsContact O-N 3.12Å; H254-F256 VanDerWaalsContact C-N 3.35Å; F256-G260 WeakPolarHBondContact O-CA 3.38Å; F256-G260 PolarHBondContact O-N 3.34Å; F256-Y267 HydrophobicContact CD2-CD2 4.04Å; F256-Y267 HydrophobicContact CE1-CD2 4.12Å; F256-Y267 HydrophobicContact CE1-CE2 4.26Å; F256-Y267 AromaticContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CD2 3.45Å; F256-Y267 VanDerWaalsContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CE2 4.34Å; F256-Y267 AromaticContact CE2-CG 3.92Å; F256-Y267 HydrophobicContact CE2-CG 3.92Å; F256-Y267 AromaticContact CZ-CD2 3.48Å; F256-Y267 HydrophobicContact CZ-CD2 3.48Å; F256-Y267 VanDerWaalsContact CZ-CD2 3.48Å; F256-Y267 AromaticContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CG 4.18Å; F256-L298 HydrophobicContact CB-CD2 4.02Å; F256-L298 HydrophobicContact CD1-CD2 3.86Å; F256-L298 HydrophobicContact CG-CD2 3.99Å
257W88.1Confident87Confident176 Ų17648.3 Ų48.367%0.66727%0.266SS*.Hα-helixtrans-74.8-21.9-179.1-67.1112.3000114.7S253 H254S253-W257 PolarHBondContact O-N 2.72Å; S253-W257 PolarHBondContact OG-NE1 3.49Å; H254-W257 PolarHBondContact O-N 2.73Å
258T86.3Confident87Confident64 Ų6453.3 Ų53.339%0.39328%0.282SS..Hα-helixtrans-94.8-30.7178.256.30000114.1H254 I255H254-T258 WeakPolarHBondContact O-CB 3.32Å; H254-T258 WeakPolarHBondContact O-CG2 3.1Å; H254-T258 PolarHBondContact O-N 3.02Å; H254-T258 PolarHBondContact O-OG1 2.84Å; I255-T258 PolarHBondContact O-N 3.13Å; I255-T258 PolarHBondContact O-OG1 3.4Å
259H82.6Confident86.8Confident29 Ų2957 Ų5713%0.13430%0.299CS..Hα-helixtrans-129.91.3-171.7-61.9-55.2000114.5V216 I255 D261 L262V216-H259 HydrophobicContact CG1-CB 4.2Å; V216-H259 HydrophobicContact CG2-CB 4.17Å; I255-H259 PolarHBondContact O-N 3.26Å; H259-D261 PolarHBondContact O-N 3.11Å; H259-L262 HydrophobicContact CB-CD1 4.27Å; H259-L262 WeakPolarHBondContact ND1-CD1 3.37Å; H259-L262 WeakPolarHBondContact O-CB 3.4Å; H259-L262 PolarHBondContact O-N 3.3Å; H259-L262 VanDerWaalsContact O-N 3.12Å
260G78.9Confident86.7Confident13 Ų1357 Ų5713%0.13430%0.299CS..G310 helixtrans-55.6-44.9-179.800000113.7F256 L262 V263F256-G260 WeakPolarHBondContact O-CA 3.38Å; F256-G260 PolarHBondContact O-N 3.34Å; G260-L262 PolarHBondContact O-N 3.34Å; G260-V263 PolarHBondContact O-N 3.5Å
261D76.4Confident86.6Confident173 Ų17354 Ų5493%0.92528%0.283SS*.G310 helixtrans-67.1-22.2-179.9-62.1-26.9000113.4H259 V263H259-D261 PolarHBondContact O-N 3.11Å; D261-V263 VanDerWaalsContact C-N 3.31Å
262L72.8Confident86.6Confident117 Ų11758.8 Ų58.861%0.61331%0.308SS*.G310 helixtrans-79.4-16.6179.2-55.9176.4000112.4H259 G260H259-L262 HydrophobicContact CB-CD1 4.27Å; H259-L262 WeakPolarHBondContact ND1-CD1 3.37Å; H259-L262 WeakPolarHBondContact O-CB 3.4Å; H259-L262 PolarHBondContact O-N 3.3Å; H259-L262 VanDerWaalsContact O-N 3.12Å; G260-L262 PolarHBondContact O-N 3.34Å
263V77.8Confident86.5Confident6 Ų660.7 Ų60.74%0.03632%0.322CS..SBendtrans-130.394.1-168.8-173.50000110V216 R217 G260 D261 G265 L266V216-V263 HydrophobicContact CB-CG2 3.96Å; V216-V263 HydrophobicContact CG1-CG2 4.04Å; V216-V263 HydrophobicContact CG2-CG2 4.43Å; R217-V263 HydrophobicContact CG-CG1 3.64Å; G260-V263 PolarHBondContact O-N 3.5Å; D261-V263 VanDerWaalsContact C-N 3.31Å; V263-G265 PolarHBondContact O-N 2.95Å; V263-L266 HydrophobicContact CB-CB 4Å; V263-L266 HydrophobicContact CB-CD2 4.18Å; V263-L266 HydrophobicContact CG1-CB 3.9Å; V263-L266 HydrophobicContact CG1-CD1 4.32Å; V263-L266 HydrophobicContact CG1-CD2 4.47Å; V263-L266 HydrophobicContact CG1-CG 4.46Å; V263-L266 VanDerWaalsContact O-CB 3.31Å; V263-L266 WeakPolarHBondContact O-CB 3.31Å; V263-L266 PolarHBondContact O-N 2.98Å; V263-L266 VanDerWaalsContact O-N 3.13Å
264S78.5Confident86.5Confident102 Ų10260 Ų6071%0.71332%0.317SS*.THydrogen-bonded Turntrans-50.7132.8175.454.60000112R217 L266R217-S264 PolarHBondContact NH2-O 3.38Å; S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 3.37Å
265G82.6Confident86.6Confident38 Ų3859.6 Ų59.639%0.39232%0.315SS..THydrogen-bonded Turntrans76.4-2.1179.100000116.3V263 Y267 Q268 Q269V263-G265 PolarHBondContact O-N 2.95Å; G265-Y267 VanDerWaalsContact C-N 3.34Å; G265-Y267 PolarHBondContact O-N 3.09Å; G265-Q268 PolarHBondContact O-N 3.07Å; G265-Q268 VanDerWaalsContact O-N 3.16Å; G265-Q269 PolarHBondContact O-N 3.1Å
266L86.6Confident86.8Confident1 Ų166 Ų661%0.00534%0.343CS..Hα-helixtrans-57.9-43.7-174.6-173.964.2000113V216 R217 V220 V263 S264 Q268 Q269 I270V216-L266 HydrophobicContact CG1-CD2 3.94Å; R217-L266 HydrophobicContact CG-CD1 4.4Å; V220-L266 HydrophobicContact CB-CD1 4.32Å; V220-L266 HydrophobicContact CG1-CD1 4.15Å; V220-L266 HydrophobicContact CG2-CD1 4.17Å; V220-L266 HydrophobicContact CG2-CD2 4.43Å; V263-L266 HydrophobicContact CB-CB 4Å; V263-L266 HydrophobicContact CB-CD2 4.18Å; V263-L266 HydrophobicContact CG1-CB 3.9Å; V263-L266 HydrophobicContact CG1-CD1 4.32Å; V263-L266 HydrophobicContact CG1-CD2 4.47Å; V263-L266 HydrophobicContact CG1-CG 4.46Å; V263-L266 VanDerWaalsContact O-CB 3.31Å; V263-L266 WeakPolarHBondContact O-CB 3.31Å; V263-L266 PolarHBondContact O-N 2.98Å; V263-L266 VanDerWaalsContact O-N 3.13Å; S264-L266 VanDerWaalsContact C-N 3.29Å; S264-L266 PolarHBondContact O-N 3.37Å; L266-Q268 PolarHBondContact O-N 3.31Å; L266-Q269 PolarHBondContact O-N 3.42Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.48Å
267Y88.8Confident86.9Confident56 Ų5664.6 Ų64.622%0.2234%0.337CS..Hα-helixtrans-59-45.5177.5-176.3-115.1000112.4F256 G265 I270 L271F256-Y267 HydrophobicContact CD2-CD2 4.04Å; F256-Y267 HydrophobicContact CE1-CD2 4.12Å; F256-Y267 HydrophobicContact CE1-CE2 4.26Å; F256-Y267 AromaticContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CD2 3.45Å; F256-Y267 VanDerWaalsContact CE2-CD2 3.45Å; F256-Y267 HydrophobicContact CE2-CE2 4.34Å; F256-Y267 AromaticContact CE2-CG 3.92Å; F256-Y267 HydrophobicContact CE2-CG 3.92Å; F256-Y267 AromaticContact CZ-CD2 3.48Å; F256-Y267 HydrophobicContact CZ-CD2 3.48Å; F256-Y267 VanDerWaalsContact CZ-CD2 3.48Å; F256-Y267 AromaticContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CE2 3.93Å; F256-Y267 HydrophobicContact CZ-CG 4.18Å; G265-Y267 VanDerWaalsContact C-N 3.34Å; G265-Y267 PolarHBondContact O-N 3.09Å; Y267-I270 PolarHBondContact O-N 3.3Å; Y267-L271 HydrophobicContact CD1-CD1 3.92Å; Y267-L271 HydrophobicContact CD1-CG 4.46Å; Y267-L271 HydrophobicContact CE1-CD1 3.37Å; Y267-L271 HydrophobicContact CE1-CG 4.16Å; Y267-L271 HydrophobicContact CE2-CD1 4.25Å; Y267-L271 HydrophobicContact CE2-CD2 4.32Å; Y267-L271 HydrophobicContact CE2-CG 4.21Å; Y267-L271 WeakPolarHBondContact O-CG 3.32Å; Y267-L271 PolarHBondContact O-N 2.88Å
268Q90.3Very high86.9Confident134 Ų13456.6 Ų56.663%0.62631%0.307SS*.Hα-helixtrans-66-41.7178.1-70.1173-34.400111.4G265 L266 I270 L271 L272G265-Q268 PolarHBondContact O-N 3.07Å; G265-Q268 VanDerWaalsContact O-N 3.16Å; L266-Q268 PolarHBondContact O-N 3.31Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.96Å; Q268-L271 PolarHBondContact O-N 3.46Å; Q268-L272 WeakPolarHBondContact O-CB 3.34Å; Q268-L272 VanDerWaalsContact O-CG 3.25Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 3.49Å
269Q91.1Very high87.1Confident77 Ų7757 Ų5736%0.3631%0.31SS..Hα-helixtrans-58.8-43.7175.2-175.8-174.8-11.400111.7G265 L266 S273G265-Q269 PolarHBondContact O-N 3.1Å; L266-Q269 PolarHBondContact O-N 3.42Å; Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 2.96Å
270I92.4Very high87.5Confident0 Ų058.2 Ų58.20%032%0.317CS..Hα-helixtrans-66-51.4177.6-66.5166.1000110.4V220 L224 L252 L266 Y267 Q268 L272 S273 L274 L298V220-I270 HydrophobicContact CG1-CD1 4Å; V220-I270 HydrophobicContact CG1-CG1 3.79Å; L224-I270 HydrophobicContact CD1-CG1 4.48Å; L252-I270 HydrophobicContact CD1-CD1 3.92Å; L252-I270 HydrophobicContact CD1-CG1 4.25Å; L252-I270 HydrophobicContact CD1-CG2 4.48Å; L252-I270 HydrophobicContact CD2-CG2 4Å; L252-I270 HydrophobicContact CG-CG2 4.42Å; L266-I270 HydrophobicContact CD1-CD1 4.32Å; L266-I270 HydrophobicContact CG-CD1 3.96Å; L266-I270 WeakPolarHBondContact O-CG1 3.42Å; L266-I270 PolarHBondContact O-N 3.48Å; Y267-I270 PolarHBondContact O-N 3.3Å; Q268-I270 VanDerWaalsContact C-N 3.32Å; Q268-I270 PolarHBondContact O-N 2.96Å; I270-L272 PolarHBondContact O-N 2.86Å; I270-S273 WeakPolarHBondContact O-CB 3.29Å; I270-S273 PolarHBondContact O-N 2.78Å; I270-S273 VanDerWaalsContact O-N 3.1Å; I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CG 3.37Å; I270-L274 PolarHBondContact O-N 3.15Å; I270-L298 HydrophobicContact CG2-CD1 3.67Å
271L92.1Very high87.7Confident18 Ų1861.8 Ų61.89%0.09434%0.338CS..Hα-helixtrans-57.4-45.5180-73.6-175.1000112.7Y267 Q268 S273 L274 Q275 L295 L298 A302 V306Y267-L271 HydrophobicContact CD1-CD1 3.92Å; Y267-L271 HydrophobicContact CD1-CG 4.46Å; Y267-L271 HydrophobicContact CE1-CD1 3.37Å; Y267-L271 HydrophobicContact CE1-CG 4.16Å; Y267-L271 HydrophobicContact CE2-CD1 4.25Å; Y267-L271 HydrophobicContact CE2-CD2 4.32Å; Y267-L271 HydrophobicContact CE2-CG 4.21Å; Y267-L271 WeakPolarHBondContact O-CG 3.32Å; Y267-L271 PolarHBondContact O-N 2.88Å; Q268-L271 PolarHBondContact O-N 3.46Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.48Å; L271-L274 PolarHBondContact O-N 3Å; L271-Q275 VanDerWaalsContact O-CB 3.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.44Å; L271-Q275 PolarHBondContact O-N 3.36Å; L271-L295 HydrophobicContact CD2-CD2 3.82Å; L271-L298 HydrophobicContact CD2-CD1 4.27Å; L271-A302 HydrophobicContact CD2-CB 3.74Å; L271-V306 HydrophobicContact CB-CG2 4.43Å; L271-V306 HydrophobicContact CD2-CG2 4.07Å
272L93.1Very high88.3Confident109 Ų10959.8 Ų59.857%0.57133%0.332SS*.Hα-helixtrans-63-35.1177.9-71.2170.5000112.1Q268 I270 K276Q268-L272 WeakPolarHBondContact O-CB 3.34Å; Q268-L272 VanDerWaalsContact O-CG 3.25Å; Q268-L272 WeakPolarHBondContact O-CG 3.41Å; Q268-L272 PolarHBondContact O-N 3.49Å; I270-L272 PolarHBondContact O-N 2.86Å; L272-K276 VanDerWaalsContact O-CB 3.32Å; L272-K276 WeakPolarHBondContact O-CB 3.37Å; L272-K276 PolarHBondContact O-N 3.14Å
273S92.9Very high89Confident41 Ų4157.1 Ų57.129%0.28731%0.314SS..Hα-helixtrans-67.3-41.1176.5-56.20000111.7Q269 I270 L271Q269-S273 WeakPolarHBondContact O-CB 3.41Å; Q269-S273 PolarHBondContact O-N 3.41Å; Q269-S273 PolarHBondContact O-OG 2.96Å; I270-S273 WeakPolarHBondContact O-CB 3.29Å; I270-S273 PolarHBondContact O-N 2.78Å; I270-S273 VanDerWaalsContact O-N 3.1Å; L271-S273 VanDerWaalsContact C-N 3.28Å; L271-S273 PolarHBondContact O-N 3.48Å
274L93.4Very high89.6Confident0 Ų059.6 Ų59.60%033%0.33CS..Hα-helixtrans-69.5-45.4176.4-60.9169.6000111.2L224 L228 I270 L271 K276 V277 L278 L295 L298L224-L274 HydrophobicContact CD2-CD2 4.46Å; L228-L274 HydrophobicContact CD1-CD2 4.21Å; L228-L274 HydrophobicContact CD2-CD2 3.79Å; L228-L274 HydrophobicContact CG-CD2 4.39Å; I270-L274 HydrophobicContact CG2-CD1 3.85Å; I270-L274 HydrophobicContact CG2-CG 4.38Å; I270-L274 WeakPolarHBondContact O-CG 3.37Å; I270-L274 PolarHBondContact O-N 3.15Å; L271-L274 PolarHBondContact O-N 3Å; L274-K276 VanDerWaalsContact C-N 3.35Å; L274-K276 PolarHBondContact O-N 3.24Å; L274-V277 PolarHBondContact O-N 3.01Å; L274-L278 PolarHBondContact O-N 2.89Å; L274-L295 HydrophobicContact CB-CD2 4.07Å; L274-L295 HydrophobicContact CB-CG 4.14Å; L274-L295 HydrophobicContact CD1-CD2 3.68Å; L274-L295 HydrophobicContact CD1-CG 3.97Å; L274-L298 HydrophobicContact CD1-CD1 3.53Å
275Q94Very high90.2Very high62 Ų6256 Ų5629%0.2930%0.302SS..Hα-helixtrans-57.8-45.6177.6-178177.4-1000111.8L271 V277 L278 T279 V306 H310L271-Q275 VanDerWaalsContact O-CB 3.29Å; L271-Q275 WeakPolarHBondContact O-CB 3.44Å; L271-Q275 PolarHBondContact O-N 3.36Å; Q275-V277 PolarHBondContact O-N 2.96Å; Q275-L278 PolarHBondContact O-N 2.85Å; Q275-T279 HydrophobicContact CG-CG2 4.36Å; Q275-T279 PolarHBondContact O-N 3.4Å; Q275-T279 PolarHBondContact O-OG1 3.22Å; Q275-V306 HydrophobicContact CB-CG1 3.64Å; Q275-V306 HydrophobicContact CG-CG1 4.01Å; Q275-H310 PolarHBondContact NE2-NE2 3.21Å; Q275-H310 VanDerWaalsContact NE2-NE2 3.13Å
276K93.3Very high90.5Very high136 Ų13654.6 Ų54.659%0.59129%0.287SS*.Hα-helixtrans-57-33.2-178.9-179173.3177.7176.60113L272 L274 T279L272-K276 VanDerWaalsContact O-CB 3.32Å; L272-K276 WeakPolarHBondContact O-CB 3.37Å; L272-K276 PolarHBondContact O-N 3.14Å; L274-K276 VanDerWaalsContact C-N 3.35Å; L274-K276 PolarHBondContact O-N 3.24Å; K276-T279 WeakPolarHBondContact CA-OG1 3.47Å; K276-T279 PolarHBondContact O-OG1 3.31Å
277V92.1Very high90.8Very high4 Ų454.6 Ų54.62%0.02429%0.286CS..Hα-helixtrans-74.1-40176.4177.50000111.2L228 L274 Q275 T279 D280 R283 H288 A291L228-V277 HydrophobicContact CB-CG2 4.31Å; L228-V277 HydrophobicContact CD1-CG2 4.31Å; L228-V277 HydrophobicContact CD2-CB 4.5Å; L228-V277 HydrophobicContact CD2-CG2 4.03Å; L228-V277 HydrophobicContact CG-CG2 4.45Å; L274-V277 PolarHBondContact O-N 3.01Å; Q275-V277 PolarHBondContact O-N 2.96Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 2.97Å; V277-D280 PolarHBondContact O-N 2.95Å; V277-R283 HydrophobicContact CG1-CG 4.49Å; V277-H288 PolarHBondContact O-CE1 3.26Å; V277-H288 PolarHBondContact O-ND1 3.48Å; V277-A291 HydrophobicContact CB-CB 4.07Å; V277-A291 HydrophobicContact CG1-CB 4.05Å
278L89.6Confident91Very high8 Ų852.1 Ų52.14%0.04228%0.277CS..Hα-helixtrans-66.3-30.3177.6-64.6178.1000113.3L274 Q275 A291 V292 L295 V306 L307L274-L278 PolarHBondContact O-N 2.89Å; Q275-L278 PolarHBondContact O-N 2.85Å; L278-A291 HydrophobicContact CD2-CB 4.05Å; L278-A291 HydrophobicContact CG-CB 4.16Å; L278-V292 HydrophobicContact CD2-CG2 3.99Å; L278-L295 HydrophobicContact CD1-CD1 3.64Å; L278-V306 HydrophobicContact CD1-CG1 4.24Å; L278-L307 HydrophobicContact CD1-CD1 3.87Å
279T90.5Very high91.2Very high74 Ų7446.9 Ų46.945%0.45425%0.252SS..THydrogen-bonded Turntrans-80.2-9.7178.451.60000115Q275 K276 V277 P281Q275-T279 HydrophobicContact CG-CG2 4.36Å; Q275-T279 PolarHBondContact O-N 3.4Å; Q275-T279 PolarHBondContact O-OG1 3.22Å; K276-T279 WeakPolarHBondContact CA-OG1 3.47Å; K276-T279 PolarHBondContact O-OG1 3.31Å; V277-T279 VanDerWaalsContact C-N 3.3Å; V277-T279 PolarHBondContact O-N 2.97Å; T279-P281 WeakPolarHBondContact O-CD 3.48Å
280D90.1Very high91.3Very high53 Ų5343.2 Ų43.228%0.28324%0.235SC..  trans-109.595.3-173.3178.21.7000110.1V277 V282 R283 H288V277-D280 PolarHBondContact O-N 2.95Å; D280-V282 PolarHBondContact O-N 3.03Å; D280-V282 PolarHBondContact OD1-N 3.25Å; D280-R283 HydrophobicContact CB-CG 3.86Å; D280-R283 VanDerWaalsContact CG-CG 3.49Å; D280-R283 WeakPolarHBondContact O-CB 3.28Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 VanDerWaalsContact OD2-CG 3.25Å; D280-R283 WeakPolarHBondContact OD2-CG 3.43Å; D280-R283 IonicContact OD2-NE 2.71Å; D280-R283 PolarHBondContact OD2-NE 3.22Å; D280-H288 PolarHBondContact O-CE1 3.35Å; D280-H288 PolarHBondContact O-NE2 2.98Å
281P84.1Confident91.4Very high88 Ų8843.2 Ų43.257%0.57124%0.235SC*.THydrogen-bonded Turntrans-73.3-4.3-174.632.2-37.4000113.8T279T279-P281 WeakPolarHBondContact O-CD 3.48Å
282V87.8Confident91.6Very high132 Ų13242.4 Ų42.480%0.823%0.23SC*.THydrogen-bonded Turntrans-87.3-12.4177.2-170.90000110.9D280D280-V282 PolarHBondContact O-N 3.03Å; D280-V282 PolarHBondContact OD1-N 3.25Å
283R89.1Confident91.7Very high61 Ų6138.2 Ų38.223%0.2321%0.209CC..SBendtrans-66.6147.6175.2-72.8-96179.4165.1-11.1111.2E229 V277 D280 H288E229-R283 IonicContact OE1-CZ 3.47Å; E229-R283 IonicContact OE1-NH1 3.94Å; E229-R283 PolarHBondContact OE1-NH1 2.81Å; E229-R283 IonicContact OE1-NH2 3.37Å; V277-R283 HydrophobicContact CG1-CG 4.49Å; D280-R283 HydrophobicContact CB-CG 3.86Å; D280-R283 VanDerWaalsContact CG-CG 3.49Å; D280-R283 WeakPolarHBondContact O-CB 3.28Å; D280-R283 PolarHBondContact O-N 2.8Å; D280-R283 VanDerWaalsContact OD2-CG 3.25Å; D280-R283 WeakPolarHBondContact OD2-CG 3.43Å; D280-R283 IonicContact OD2-NE 2.71Å; D280-R283 PolarHBondContact OD2-NE 3.22Å; R283-H288 PolarHBondContact O-NE2 3.25Å
284P90.1Very high91.7Very high57 Ų5736.2 Ų36.237%0.3720%0.195SC..  trans-70.8150.4175.926.8-30.4000111.6P230 C286 S287 H288P230-P284 HydrophobicContact CB-CG 3.87Å; P230-P284 HydrophobicContact CG-CG 4.39Å; P284-C286 PolarHBondContact O-N 3.26Å; P284-C286 VanDerWaalsContact O-N 3.12Å; P284-S287 VanDerWaalsContact O-CB 3.3Å; P284-S287 WeakPolarHBondContact O-CB 3.27Å; P284-S287 PolarHBondContact O-N 3.04Å; P284-H288 PolarHBondContact O-CD2 3.49Å; P284-H288 PolarHBondContact O-N 3.12Å
285L90.1Very high91.8Very high27 Ų2736.2 Ų36.214%0.14120%0.195CC..Hα-helixtrans-57-30.9-175.9-65.9171.1000113.5S287 H288 Y289 V321 V332 D335 V339L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.48Å; L285-H288 PolarHBondContact O-N 3.38Å; L285-Y289 PolarHBondContact O-N 3.07Å; L285-V321 HydrophobicContact CD1-CG1 4.2Å; L285-V332 HydrophobicContact CD1-CG1 3.73Å; L285-V332 WeakPolarHBondContact CD1-O 3.16Å; L285-D335 HydrophobicContact CB-CB 4.11Å; L285-D335 HydrophobicContact CD1-CB 4.01Å; L285-V339 HydrophobicContact CB-CG2 4.11Å; L285-V339 HydrophobicContact CD2-CG2 4.43Å; L285-V339 WeakPolarHBondContact O-CG2 3.47Å
286C89.9Confident91.8Very high9 Ų936.2 Ų36.26%0.06120%0.195CC..Hα-helixtrans-64.2-31.6174.867.10000113.2W242 R245 P284 G290W242-C286 HydrophobicContact CH2-CB 4.16Å; W242-C286 HydrophobicContact CZ3-CB 4.29Å; R245-C286 VanDerWaalsContact CD-O 3.31Å; R245-C286 WeakPolarHBondContact CD-O 3.37Å; R245-C286 PolarHBondContact NE-O 3.43Å; R245-C286 PolarHBondContact NH2-SG 3.5Å; R245-C286 VanDerWaalsContact NH2-SG 3.41Å; P284-C286 PolarHBondContact O-N 3.26Å; P284-C286 VanDerWaalsContact O-N 3.12Å; C286-G290 PolarHBondContact O-N 3.03Å
287S91.9Very high91.9Very high0 Ų030.6 Ų30.60%017%0.174CC..Hα-helixtrans-69.7-43171.5-68.30000111.6L228 P284 L285 G290 A291L228-S287 WeakPolarHBondContact O-CB 3.2Å; L228-S287 PolarHBondContact O-OG 3.1Å; P284-S287 VanDerWaalsContact O-CB 3.3Å; P284-S287 WeakPolarHBondContact O-CB 3.27Å; P284-S287 PolarHBondContact O-N 3.04Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.48Å; S287-G290 PolarHBondContact O-N 3.18Å; S287-A291 PolarHBondContact O-N 3.13Å
288H93.1Very high91.8Very high4 Ų430.7 Ų30.72%0.01918%0.175CC..Hα-helixtrans-63.7-42.6176.6-66.9-76.8000112.1V277 D280 R283 P284 L285 G290 A291 V292 Y314V277-H288 PolarHBondContact O-CE1 3.26Å; V277-H288 PolarHBondContact O-ND1 3.48Å; D280-H288 PolarHBondContact O-CE1 3.35Å; D280-H288 PolarHBondContact O-NE2 2.98Å; R283-H288 PolarHBondContact O-NE2 3.25Å; P284-H288 PolarHBondContact O-CD2 3.49Å; P284-H288 PolarHBondContact O-N 3.12Å; L285-H288 PolarHBondContact O-N 3.38Å; H288-G290 PolarHBondContact O-N 3.01Å; H288-A291 WeakPolarHBondContact O-CB 3.48Å; H288-A291 PolarHBondContact O-N 3.33Å; H288-A291 VanDerWaalsContact O-N 3.16Å; H288-V292 WeakPolarHBondContact O-CG2 3.14Å; H288-V292 PolarHBondContact O-N 3.44Å; H288-Y314 HydrophobicContact CB-CE2 4.49Å; H288-Y314 VanDerWaalsContact CB-OH 3.25Å; H288-Y314 WeakPolarHBondContact CB-OH 3.49Å; H288-Y314 AromaticContact CE1-CE2 3.71Å; H288-Y314 AromaticContact CG-CE2 3.92Å; H288-Y314 AromaticContact CG-CZ 3.97Å; H288-Y314 VanDerWaalsContact CG-OH 3.31Å; H288-Y314 AromaticContact ND1-CE2 3.44Å; H288-Y314 WeakPolarHBondContact ND1-CE2 3.46Å; H288-Y314 AromaticContact ND1-CZ 3.92Å
289Y94.2Very high91.9Very high25 Ų2531.6 Ų31.610%0.09819%0.185CC..Hα-helixtrans-53.9-52.4172.6179.2-92.6000111.4W242 R245 D246 L285 A291 V292 V293 K338 A342W242-Y289 HydrophobicContact CB-CE1 4.48Å; W242-Y289 AromaticContact CE3-CD1 3.59Å; W242-Y289 HydrophobicContact CE3-CD1 3.59Å; W242-Y289 AromaticContact CE3-CD2 3.98Å; W242-Y289 HydrophobicContact CE3-CD2 3.98Å; W242-Y289 AromaticContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE1 3.84Å; W242-Y289 HydrophobicContact CE3-CE2 4.21Å; W242-Y289 AromaticContact CE3-CG 3.65Å; W242-Y289 HydrophobicContact CE3-CG 3.65Å; W242-Y289 AromaticContact CZ3-CD1 3.97Å; W242-Y289 HydrophobicContact CZ3-CD1 3.97Å; W242-Y289 AromaticContact CZ3-CD2 3.96Å; W242-Y289 HydrophobicContact CZ3-CD2 3.96Å; W242-Y289 AromaticContact CZ3-CG 3.6Å; W242-Y289 HydrophobicContact CZ3-CG 3.6Å; R245-Y289 HydrophobicContact CB-CD1 4.43Å; R245-Y289 HydrophobicContact CB-CE1 4.47Å; D246-Y289 WeakPolarHBondContact OD1-CE1 3.38Å; D246-Y289 PolarHBondContact OD1-OH 3.4Å; D246-Y289 VanDerWaalsContact OD1-OH 3.05Å; D246-Y289 PolarHBondContact OD2-OH 3.38Å; L285-Y289 PolarHBondContact O-N 3.07Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 3.23Å; Y289-V292 PolarHBondContact O-N 3.33Å; Y289-V292 VanDerWaalsContact O-N 3.14Å; Y289-V293 HydrophobicContact CD1-CG2 4.07Å; Y289-V293 HydrophobicContact CD2-CG2 4.44Å; Y289-V293 HydrophobicContact CE1-CG2 3.7Å; Y289-V293 HydrophobicContact CE2-CG2 4.1Å; Y289-V293 HydrophobicContact CG-CG2 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.44Å; Y289-V293 PolarHBondContact O-N 3.46Å; Y289-K338 HydrophobicContact CD2-CB 4.19Å; Y289-K338 HydrophobicContact CE2-CB 4.3Å; Y289-A342 HydrophobicContact CD2-CB 3.87Å; Y289-A342 HydrophobicContact CE2-CB 3.77Å
290G93.6Very high91.9Very high0 Ų030.7 Ų30.70%017%0.174CC..Hα-helixtrans-59.7-36.4177.700000113.3V227 C286 S287 H288 G294V227-G290 WeakPolarHBondContact CG1-O 3.35Å; V227-G290 WeakPolarHBondContact O-CA 3.39Å; C286-G290 PolarHBondContact O-N 3.03Å; S287-G290 PolarHBondContact O-N 3.18Å; H288-G290 PolarHBondContact O-N 3.01Å; G290-G294 PolarHBondContact O-N 2.88Å
291A95Very high91.9Very high0 Ų033.5 Ų33.50%018%0.183CC..Hα-helixtrans-64.1-45174.100000112.4L228 V277 L278 S287 H288 Y289 G294 L295L228-A291 HydrophobicContact CD2-CB 3.81Å; V277-A291 HydrophobicContact CB-CB 4.07Å; V277-A291 HydrophobicContact CG1-CB 4.05Å; L278-A291 HydrophobicContact CD2-CB 4.05Å; L278-A291 HydrophobicContact CG-CB 4.16Å; S287-A291 PolarHBondContact O-N 3.13Å; H288-A291 WeakPolarHBondContact O-CB 3.48Å; H288-A291 PolarHBondContact O-N 3.33Å; H288-A291 VanDerWaalsContact O-N 3.16Å; Y289-A291 VanDerWaalsContact C-N 3.28Å; Y289-A291 PolarHBondContact O-N 3.23Å; A291-G294 PolarHBondContact O-N 3.02Å; A291-L295 WeakPolarHBondContact O-CG 3.37Å; A291-L295 PolarHBondContact O-N 3.29Å
292V95.1Very high92.2Very high0 Ų029.3 Ų29.30%016%0.157CC..Hα-helixtrans-65.9-47.7178.2175.60000111.6L278 H288 Y289 G294 L295 H296 L307 A342 I343 A346L278-V292 HydrophobicContact CD2-CG2 3.99Å; H288-V292 WeakPolarHBondContact O-CG2 3.14Å; H288-V292 PolarHBondContact O-N 3.44Å; Y289-V292 PolarHBondContact O-N 3.33Å; Y289-V292 VanDerWaalsContact O-N 3.14Å; V292-G294 VanDerWaalsContact C-N 3.32Å; V292-G294 PolarHBondContact O-N 3.41Å; V292-L295 PolarHBondContact O-N 3.4Å; V292-H296 PolarHBondContact O-N 3.23Å; V292-L307 HydrophobicContact CG1-CD2 4.41Å; V292-L307 HydrophobicContact CG2-CD1 4.18Å; V292-A342 HydrophobicContact CB-CB 4.44Å; V292-A342 HydrophobicContact CG1-CB 3.9Å; V292-I343 HydrophobicContact CB-CG1 4.42Å; V292-I343 HydrophobicContact CG1-CB 4.5Å; V292-I343 HydrophobicContact CG1-CG1 3.82Å; V292-I343 HydrophobicContact CG2-CD1 4.33Å; V292-I343 HydrophobicContact CG2-CG1 3.76Å; V292-A346 HydrophobicContact CG1-CB 4.24Å
293V95Very high92.5Very high21 Ų2123.2 Ų23.213%0.12712%0.119CC..Hα-helixtrans-65.4-37.1178.1-179.20000111A249 Y289 H296 A297 A342A249-V293 HydrophobicContact CB-CB 4.43Å; A249-V293 HydrophobicContact CB-CG1 3.78Å; Y289-V293 HydrophobicContact CD1-CG2 4.07Å; Y289-V293 HydrophobicContact CD2-CG2 4.44Å; Y289-V293 HydrophobicContact CE1-CG2 3.7Å; Y289-V293 HydrophobicContact CE2-CG2 4.1Å; Y289-V293 HydrophobicContact CG-CG2 4.43Å; Y289-V293 WeakPolarHBondContact O-CG2 3.44Å; Y289-V293 PolarHBondContact O-N 3.46Å; V293-H296 PolarHBondContact O-N 3.39Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 3.39Å; V293-A342 HydrophobicContact CG2-CB 4.03Å
294G94.9Very high92.6Very high0 Ų022.7 Ų22.70%012%0.12CC..Hα-helixtrans-58.1-46.9171.300000113G290 A291 V292 A297 L298G290-G294 PolarHBondContact O-N 2.88Å; A291-G294 PolarHBondContact O-N 3.02Å; V292-G294 VanDerWaalsContact C-N 3.32Å; V292-G294 PolarHBondContact O-N 3.41Å; G294-A297 PolarHBondContact O-N 3.33Å; G294-L298 VanDerWaalsContact O-CG 3.31Å; G294-L298 WeakPolarHBondContact O-CG 3.42Å; G294-L298 PolarHBondContact O-N 2.99Å; G294-L298 VanDerWaalsContact O-N 3.13Å
295L94.7Very high92.6Very high0 Ų027.3 Ų27.30%013%0.13CC..Hα-helixtrans-64.9-41175.2-70.8172000112.2L271 L274 L278 A291 V292 L298 G299 A302 V303 V306 L307L271-L295 HydrophobicContact CD2-CD2 3.82Å; L274-L295 HydrophobicContact CB-CD2 4.07Å; L274-L295 HydrophobicContact CB-CG 4.14Å; L274-L295 HydrophobicContact CD1-CD2 3.68Å; L274-L295 HydrophobicContact CD1-CG 3.97Å; L278-L295 HydrophobicContact CD1-CD1 3.64Å; A291-L295 WeakPolarHBondContact O-CG 3.37Å; A291-L295 PolarHBondContact O-N 3.29Å; V292-L295 PolarHBondContact O-N 3.4Å; L295-L298 PolarHBondContact O-N 2.96Å; L295-G299 PolarHBondContact O-N 3.48Å; L295-A302 HydrophobicContact CD2-CB 4.05Å; L295-V303 HydrophobicContact CB-CG2 4.35Å; L295-V306 HydrophobicContact CD1-CB 4Å; L295-V306 HydrophobicContact CD1-CG1 3.79Å; L295-V306 HydrophobicContact CD2-CB 3.91Å; L295-V306 HydrophobicContact CD2-CG1 4.15Å; L295-V306 HydrophobicContact CD2-CG2 4.21Å; L295-L307 HydrophobicContact CD1-CB 4.2Å
296H94.6Very high92.7Very high61 Ų6126.2 Ų26.228%0.28212%0.124SC..Hα-helixtrans-59.8-46.6175.6178.278.1000111.8V292 V293 L298 G299 A346V292-H296 PolarHBondContact O-N 3.23Å; V293-H296 PolarHBondContact O-N 3.39Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 2.92Å; H296-G299 WeakPolarHBondContact O-CA 3.5Å; H296-G299 PolarHBondContact O-N 3.45Å; H296-G299 VanDerWaalsContact O-N 3.09Å; H296-A346 HydrophobicContact CB-CB 4.22Å
297A93.6Very high92.7Very high19 Ų1926 Ų2616%0.15712%0.122CC..Hα-helixtrans-65.9-33.1-179.800000113.1A249 S253 V293 G294 G299A249-A297 HydrophobicContact CB-CB 4.25Å; A249-A297 WeakPolarHBondContact O-CB 3.3Å; S253-A297 VanDerWaalsContact CB-O 3.25Å; S253-A297 WeakPolarHBondContact CB-O 3.39Å; S253-A297 PolarHBondContact OG-O 3.42Å; V293-A297 WeakPolarHBondContact O-CB 3.42Å; V293-A297 PolarHBondContact O-N 3.39Å; G294-A297 PolarHBondContact O-N 3.33Å; A297-G299 VanDerWaalsContact C-N 3.29Å
298L91.9Very high92.6Very high6 Ų627.6 Ų27.63%0.03113%0.129CC..Hα-helixtrans-70.3-25.2172.9-69.4167.3000112.9F256 I270 L271 L274 G294 L295 H296 A302F256-L298 HydrophobicContact CB-CD2 4.02Å; F256-L298 HydrophobicContact CD1-CD2 3.86Å; F256-L298 HydrophobicContact CG-CD2 3.99Å; I270-L298 HydrophobicContact CG2-CD1 3.67Å; L271-L298 HydrophobicContact CD2-CD1 4.27Å; L274-L298 HydrophobicContact CD1-CD1 3.53Å; G294-L298 VanDerWaalsContact O-CG 3.31Å; G294-L298 WeakPolarHBondContact O-CG 3.42Å; G294-L298 PolarHBondContact O-N 2.99Å; G294-L298 VanDerWaalsContact O-N 3.13Å; L295-L298 PolarHBondContact O-N 2.96Å; H296-L298 VanDerWaalsContact C-N 3.35Å; H296-L298 PolarHBondContact O-N 2.92Å; L298-A302 HydrophobicContact CB-CB 3.92Å
299G90.6Very high92.5Very high26 Ų2631 Ų3127%0.26815%0.151SC..  trans113.9169.9171.200000114.6L295 H296 A297 K301 A302 V303L295-G299 PolarHBondContact O-N 3.48Å; H296-G299 WeakPolarHBondContact O-CA 3.5Å; H296-G299 PolarHBondContact O-N 3.45Å; H296-G299 VanDerWaalsContact O-N 3.09Å; A297-G299 VanDerWaalsContact C-N 3.29Å; G299-K301 VanDerWaalsContact C-N 3.26Å; G299-K301 PolarHBondContact O-N 3.39Å; G299-K301 VanDerWaalsContact O-N 3.08Å; G299-A302 WeakPolarHBondContact O-CB 3.18Å; G299-A302 PolarHBondContact O-N 2.93Å; G299-V303 PolarHBondContact O-N 2.98Å
300W90.1Very high92.3Very high56 Ų5632.3 Ų32.321%0.21216%0.158CC..Hα-helixtrans-55.6-33.5-168.668.3-90.4000115A302 V303 E304 L350 M353 A357W300-A302 VanDerWaalsContact C-N 3.28Å; W300-A302 PolarHBondContact O-N 3.07Å; W300-V303 WeakPolarHBondContact O-CB 3.42Å; W300-V303 PolarHBondContact O-N 2.87Å; W300-E304 WeakPolarHBondContact CZ3-OE2 3.47Å; W300-E304 WeakPolarHBondContact O-CB 3.45Å; W300-E304 PolarHBondContact O-N 2.88Å; W300-L350 HydrophobicContact CB-CD1 4.24Å; W300-L350 HydrophobicContact CE3-CD1 3.95Å; W300-M353 HydrophobicContact CB-CB 3.97Å; W300-M353 HydrophobicContact CB-CG 4.21Å; W300-M353 VanDerWaalsContact CD1-CB 3.46Å; W300-M353 HydrophobicContact CD2-CB 4Å; W300-M353 HydrophobicContact CG-CB 3.56Å; W300-M353 HydrophobicContact CG-CG 4.03Å; W300-A357 HydrophobicContact CH2-CB 4.45Å; W300-A357 HydrophobicContact CZ2-CB 4.43Å
301K90Very high92.1Very high111 Ų11132.4 Ų32.448%0.48316%0.158SC..Hα-helixtrans-67.6-23.9176.5-64.2-174.6178.2-177.50113.6G299 R305G299-K301 VanDerWaalsContact C-N 3.26Å; G299-K301 PolarHBondContact O-N 3.39Å; G299-K301 VanDerWaalsContact O-N 3.08Å; K301-R305 WeakPolarHBondContact O-CB 3.25Å; K301-R305 WeakPolarHBondContact O-CD 3.42Å; K301-R305 WeakPolarHBondContact O-CG 3.44Å; K301-R305 PolarHBondContact O-N 3.39Å
302A91.4Very high91.8Very high1 Ų135.3 Ų35.31%0.00818%0.177CC..Hα-helixtrans-76.7-42171.900000110.5L271 L295 L298 G299 W300 R305 V306L271-A302 HydrophobicContact CD2-CB 3.74Å; L295-A302 HydrophobicContact CD2-CB 4.05Å; L298-A302 HydrophobicContact CB-CB 3.92Å; G299-A302 WeakPolarHBondContact O-CB 3.18Å; G299-A302 PolarHBondContact O-N 2.93Å; W300-A302 VanDerWaalsContact C-N 3.28Å; W300-A302 PolarHBondContact O-N 3.07Å; A302-R305 PolarHBondContact O-N 3.16Å; A302-V306 WeakPolarHBondContact O-CB 3.49Å; A302-V306 PolarHBondContact O-N 3.05Å
303V92.6Very high91.5Very high3 Ų340.1 Ų40.12%0.01821%0.207CC..Iπ-helixtrans-60.6-47.2174.9-175.60000111.2L295 G299 W300 R305 L307 Y308 A346 L350L295-V303 HydrophobicContact CB-CG2 4.35Å; G299-V303 PolarHBondContact O-N 2.98Å; W300-V303 WeakPolarHBondContact O-CB 3.42Å; W300-V303 PolarHBondContact O-N 2.87Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.38Å; V303-L307 HydrophobicContact CG1-CB 3.88Å; V303-L307 HydrophobicContact CG1-CD2 3.81Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CA 3.02Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å; V303-Y308 PolarHBondContact O-N 2.99Å; V303-A346 HydrophobicContact CG1-CB 4.19Å; V303-A346 HydrophobicContact CG2-CB 4.34Å; V303-L350 HydrophobicContact CG1-CB 4.3Å; V303-L350 HydrophobicContact CG1-CD2 4.19Å
304E91.2Very high91.3Very high51 Ų5139.9 Ų39.924%0.23820%0.204CC..Iπ-helixtrans-61.4-38.2178-172.1174.9-140.600113.2W300 L350 K354W300-E304 WeakPolarHBondContact CZ3-OE2 3.47Å; W300-E304 WeakPolarHBondContact O-CB 3.45Å; W300-E304 PolarHBondContact O-N 2.88Å; E304-L350 HydrophobicContact CB-CD1 3.82Å; E304-L350 HydrophobicContact CG-CD1 4.37Å; E304-K354 IonicContact OE1-NZ 2.74Å; E304-K354 PolarHBondContact OE1-NZ 2.95Å
305R90.4Very high91.1Very high154 Ų15441.3 Ų41.358%0.58121%0.209SC*.Iπ-helixtrans-84.1-28-176.7-71.6174-179.3171.9-1.9114.3K301 A302 V303K301-R305 WeakPolarHBondContact O-CB 3.25Å; K301-R305 WeakPolarHBondContact O-CD 3.42Å; K301-R305 WeakPolarHBondContact O-CG 3.44Å; K301-R305 PolarHBondContact O-N 3.39Å; A302-R305 PolarHBondContact O-N 3.16Å; V303-R305 VanDerWaalsContact C-N 3.34Å; V303-R305 PolarHBondContact O-N 3.38Å
306V91.9Very high90.8Very high4 Ų445.3 Ų45.32%0.02423%0.234CC..Iπ-helixtrans-118.2-50.5-172.1-177.80000112.1L271 Q275 L278 L295 A302 H310L271-V306 HydrophobicContact CB-CG2 4.43Å; L271-V306 HydrophobicContact CD2-CG2 4.07Å; Q275-V306 HydrophobicContact CB-CG1 3.64Å; Q275-V306 HydrophobicContact CG-CG1 4.01Å; L278-V306 HydrophobicContact CD1-CG1 4.24Å; L295-V306 HydrophobicContact CD1-CB 4Å; L295-V306 HydrophobicContact CD1-CG1 3.79Å; L295-V306 HydrophobicContact CD2-CB 3.91Å; L295-V306 HydrophobicContact CD2-CG1 4.15Å; L295-V306 HydrophobicContact CD2-CG2 4.21Å; A302-V306 WeakPolarHBondContact O-CB 3.49Å; A302-V306 PolarHBondContact O-N 3.05Å; V306-H310 PolarHBondContact O-CD2 3.26Å
307L91.3Very high90.5Very high4 Ų446.1 Ų46.12%0.02124%0.24CC..Iπ-helixtrans-72.3-47.4-176.8-172.263.6000111.2L278 V292 L295 V303 H310 L311 I343 A346L278-L307 HydrophobicContact CD1-CD1 3.87Å; V292-L307 HydrophobicContact CG1-CD2 4.41Å; V292-L307 HydrophobicContact CG2-CD1 4.18Å; L295-L307 HydrophobicContact CD1-CB 4.2Å; V303-L307 HydrophobicContact CG1-CB 3.88Å; V303-L307 HydrophobicContact CG1-CD2 3.81Å; V303-L307 HydrophobicContact CG1-CG 4.43Å; V303-L307 WeakPolarHBondContact O-CA 3.02Å; V303-L307 WeakPolarHBondContact O-CB 3.4Å; V303-L307 PolarHBondContact O-N 2.93Å; L307-H310 PolarHBondContact O-N 3.1Å; L307-L311 HydrophobicContact CG-CD1 4.48Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 PolarHBondContact O-N 3.34Å; L307-I343 HydrophobicContact CD2-CG2 4.35Å; L307-A346 HydrophobicContact CD2-CB 4.02Å
308Y89.7Confident90.3Very high34 Ų3445.3 Ų45.313%0.13323%0.233CC..Hα-helixtrans-59.7-47.2-173.6-178.2-101.4000113.9V303 H310 L311 L415 I420 E423 L424V303-Y308 PolarHBondContact O-N 2.99Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.31Å; Y308-L311 WeakPolarHBondContact O-CB 3.43Å; Y308-L311 PolarHBondContact O-N 3.16Å; Y308-L415 HydrophobicContact CE1-CD1 4Å; Y308-I420 HydrophobicContact CE2-CG1 4.49Å; Y308-I420 HydrophobicContact CE2-CG2 3.91Å; Y308-E423 PolarHBondContact OH-OE2 2.99Å; Y308-L424 HydrophobicContact CD2-CD1 4.33Å; Y308-L424 HydrophobicContact CD2-CD2 4.12Å; Y308-L424 HydrophobicContact CD2-CG 4.45Å; Y308-L424 HydrophobicContact CE2-CD1 4.18Å; Y308-L424 HydrophobicContact CE2-CD2 4.18Å; Y308-L424 HydrophobicContact CE2-CG 4.12Å
309P90.6Very high90.2Very high75 Ų7548.9 Ų48.949%0.48725%0.25SC..Hα-helixtrans-68.3-28.5-179.8-2135000114.2
310H89.7Confident90.1Very high53 Ų5350.8 Ų50.825%0.24526%0.263CS..Hα-helixtrans-90.6-8.9178.9-65.3-53000113Q275 V306 L307 Y308 T313 Y314Q275-H310 PolarHBondContact NE2-NE2 3.21Å; Q275-H310 VanDerWaalsContact NE2-NE2 3.13Å; V306-H310 PolarHBondContact O-CD2 3.26Å; L307-H310 PolarHBondContact O-N 3.1Å; Y308-H310 VanDerWaalsContact C-N 3.33Å; Y308-H310 PolarHBondContact O-N 3.31Å; H310-T313 PolarHBondContact O-N 3.43Å; H310-Y314 WeakPolarHBondContact O-CB 3.4Å; H310-Y314 PolarHBondContact O-N 3.46Å
311L89.5Confident90Very high2 Ų250.1 Ų50.11%0.0127%0.265CS..Hα-helixtrans-60.1-43.5-174.7-16772.3000113.8L307 Y308 T313 Y314 W315 I343 L424 F427 F428L307-L311 HydrophobicContact CG-CD1 4.48Å; L307-L311 WeakPolarHBondContact O-CB 3.46Å; L307-L311 PolarHBondContact O-N 3.34Å; Y308-L311 WeakPolarHBondContact O-CB 3.43Å; Y308-L311 PolarHBondContact O-N 3.16Å; L311-T313 PolarHBondContact O-N 2.88Å; L311-Y314 PolarHBondContact O-N 2.85Å; L311-W315 WeakPolarHBondContact O-CB 3.35Å; L311-W315 PolarHBondContact O-N 2.76Å; L311-I343 HydrophobicContact CD1-CG2 3.85Å; L311-L424 HydrophobicContact CD2-CD2 3.36Å; L311-F427 HydrophobicContact CD2-CD2 3.96Å; L311-F427 HydrophobicContact CD2-CE2 4.32Å; L311-F428 HydrophobicContact CD1-CZ 4.29Å; L311-F428 HydrophobicContact CD2-CE2 3.92Å; L311-F428 HydrophobicContact CD2-CZ 4.11Å
312P89.1Confident90Very high60 Ų6045.8 Ų45.839%0.3925%0.247SC..Hα-helixtrans-61.6-44.4-177.5-23.534.8000112.7W315 T316 F427P312-W315 PolarHBondContact O-N 3.33Å; P312-T316 PolarHBondContact O-N 3.09Å; P312-F427 HydrophobicContact CB-CE1 4.49Å; P312-F427 HydrophobicContact CB-CZ 4.02Å; P312-F427 HydrophobicContact CG-CZ 4Å
313T89.5Confident89.9Confident102 Ų10249.7 Ų49.763%0.62627%0.268SS*.Hα-helixtrans-71.3-33.3178.4-44.30000112.3H310 L311 T316 N317H310-T313 PolarHBondContact O-N 3.43Å; L311-T313 PolarHBondContact O-N 2.88Å; T313-T316 PolarHBondContact O-OG1 2.92Å; T313-T316 VanDerWaalsContact O-OG1 3.12Å; T313-N317 PolarHBondContact O-ND2 3.28Å
314Y89.7Confident89.7Confident15 Ų1552 Ų526%0.05928%0.28CS..Hα-helixtrans-74.2-36.7176.1-170.4-101.6000111.8H288 H310 L311 T316 N317 L318 V339 I343H288-Y314 HydrophobicContact CB-CE2 4.49Å; H288-Y314 VanDerWaalsContact CB-OH 3.25Å; H288-Y314 WeakPolarHBondContact CB-OH 3.49Å; H288-Y314 AromaticContact CE1-CE2 3.71Å; H288-Y314 AromaticContact CG-CE2 3.92Å; H288-Y314 AromaticContact CG-CZ 3.97Å; H288-Y314 VanDerWaalsContact CG-OH 3.31Å; H288-Y314 AromaticContact ND1-CE2 3.44Å; H288-Y314 WeakPolarHBondContact ND1-CE2 3.46Å; H288-Y314 AromaticContact ND1-CZ 3.92Å; H310-Y314 WeakPolarHBondContact O-CB 3.4Å; H310-Y314 PolarHBondContact O-N 3.46Å; L311-Y314 PolarHBondContact O-N 2.85Å; Y314-T316 PolarHBondContact O-N 3.31Å; Y314-N317 PolarHBondContact O-N 3Å; Y314-L318 HydrophobicContact CE1-CB 4.23Å; Y314-L318 HydrophobicContact CE1-CD2 4.18Å; Y314-L318 PolarHBondContact O-N 2.96Å; Y314-V339 HydrophobicContact CE1-CG1 4.06Å; Y314-I343 HydrophobicContact CD1-CD1 3.98Å; Y314-I343 HydrophobicContact CE1-CD1 3.74Å
315W89.9Confident89.2Confident30 Ų3058.7 Ų58.711%0.11430%0.304CS..Hα-helixtrans-60.2-46-178.3177.1-98.1000112.3L311 P312 N317 L318 Q319 Y340 F427 F428L311-W315 WeakPolarHBondContact O-CB 3.35Å; L311-W315 PolarHBondContact O-N 2.76Å; P312-W315 PolarHBondContact O-N 3.33Å; W315-N317 PolarHBondContact O-N 3.48Å; W315-L318 PolarHBondContact O-N 3.07Å; W315-Q319 HydrophobicContact CZ2-CB 4.31Å; W315-Q319 VanDerWaalsContact O-CB 3.29Å; W315-Q319 WeakPolarHBondContact O-CB 3.48Å; W315-Q319 PolarHBondContact O-N 2.82Å; W315-Y340 HydrophobicContact CH2-CD2 4.06Å; W315-Y340 AromaticContact CH2-CE2 3.64Å; W315-Y340 HydrophobicContact CH2-CE2 3.64Å; W315-Y340 AromaticContact CZ3-CD2 3.75Å; W315-Y340 HydrophobicContact CZ3-CD2 3.75Å; W315-Y340 AromaticContact CZ3-CE2 3.65Å; W315-Y340 HydrophobicContact CZ3-CE2 3.65Å; W315-F427 HydrophobicContact CB-CD1 4.11Å; W315-F427 HydrophobicContact CB-CE1 4.46Å; W315-F427 AromaticContact CD1-CD1 3.54Å; W315-F427 HydrophobicContact CD2-CB 3.97Å; W315-F427 HydrophobicContact CD2-CD1 4.21Å; W315-F427 HydrophobicContact CD2-CG 4.42Å; W315-F427 HydrophobicContact CE3-CB 4.26Å; W315-F427 HydrophobicContact CG-CB 4.28Å; W315-F427 AromaticContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CE1 4.35Å; W315-F427 HydrophobicContact CG-CG 4.21Å; W315-F427 VanDerWaalsContact CH2-O 3.32Å; W315-F427 WeakPolarHBondContact CH2-O 3.44Å; W315-F427 WeakPolarHBondContact CZ2-O 3.39Å; W315-F428 HydrophobicContact CE3-CE1 4.07Å; W315-F428 HydrophobicContact CE3-CZ 4.47Å; W315-F428 HydrophobicContact CZ3-CD1 4.04Å; W315-F428 AromaticContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CZ 4.5Å
316T89.4Confident89Confident85 Ų8553.3 Ų53.352%0.52129%0.291SS..Hα-helixtrans-58.4-37.1179.252.20000112.5P312 T313 Y314 A320P312-T316 PolarHBondContact O-N 3.09Å; T313-T316 PolarHBondContact O-OG1 2.92Å; T313-T316 VanDerWaalsContact O-OG1 3.12Å; Y314-T316 PolarHBondContact O-N 3.31Å; T316-A320 PolarHBondContact O-N 3.13Å
317N88.9Confident88.3Confident77 Ų7759.7 Ų59.741%0.41233%0.329SS..Hα-helixtrans-75.3-41.7179.4-60-20000111.4T313 Y314 W315 V321T313-N317 PolarHBondContact O-ND2 3.28Å; Y314-N317 PolarHBondContact O-N 3Å; W315-N317 PolarHBondContact O-N 3.48Å; N317-V321 PolarHBondContact O-N 3.04Å
318L89.1Confident87.8Confident3 Ų364.3 Ų64.32%0.01636%0.362CS..Hα-helixtrans-66.1-41.4176.5-176.764.3000111.5Y314 W315 A320 V321 L322 V339 I343Y314-L318 HydrophobicContact CE1-CB 4.23Å; Y314-L318 HydrophobicContact CE1-CD2 4.18Å; Y314-L318 PolarHBondContact O-N 2.96Å; W315-L318 PolarHBondContact O-N 3.07Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.4Å; L318-V321 WeakPolarHBondContact O-CB 3.4Å; L318-V321 PolarHBondContact O-N 3.06Å; L318-V321 VanDerWaalsContact O-N 3.11Å; L318-L322 HydrophobicContact CG-CD1 4.13Å; L318-L322 HydrophobicContact CG-CG 4.41Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 3.02Å; L318-V339 HydrophobicContact CD1-CB 4.42Å; L318-V339 HydrophobicContact CD1-CG1 4.45Å; L318-V339 HydrophobicContact CD2-CG1 4.44Å; L318-I343 HydrophobicContact CD2-CD1 4.09Å
319Q89.8Confident87.6Confident80 Ų8065.7 Ų65.737%0.37437%0.372SS..Hα-helixtrans-60.2-43.9178.2-179.7171.2-5.800111.3W315 V321 L322 D323W315-Q319 HydrophobicContact CZ2-CB 4.31Å; W315-Q319 VanDerWaalsContact O-CB 3.29Å; W315-Q319 WeakPolarHBondContact O-CB 3.48Å; W315-Q319 PolarHBondContact O-N 2.82Å; Q319-V321 PolarHBondContact O-N 3.42Å; Q319-L322 PolarHBondContact O-N 3.01Å; Q319-D323 WeakPolarHBondContact CG-OD2 3.46Å; Q319-D323 PolarHBondContact NE2-OD2 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.13Å; Q319-D323 WeakPolarHBondContact O-CB 3.42Å; Q319-D323 PolarHBondContact O-N 3.32Å
320A88.9Confident87.3Confident67 Ų6764.9 Ų64.955%0.55437%0.371SS*.Hα-helixtrans-58.6-31.5175.600000113.5T316 L318 D324T316-A320 PolarHBondContact O-N 3.13Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.4Å; A320-D324 PolarHBondContact O-N 2.84Å
321V88.1Confident87.2Confident41 Ų4166.9 Ų66.925%0.24838%0.38CS..Hα-helixtrans-76.6-35.2174.4174.50000112.1L285 N317 L318 Q319 V332L285-V321 HydrophobicContact CD1-CG1 4.2Å; N317-V321 PolarHBondContact O-N 3.04Å; L318-V321 WeakPolarHBondContact O-CB 3.4Å; L318-V321 PolarHBondContact O-N 3.06Å; L318-V321 VanDerWaalsContact O-N 3.11Å; Q319-V321 PolarHBondContact O-N 3.42Å; V321-V332 HydrophobicContact CG1-CG1 3.9Å
322L88.9Confident87.1Confident20 Ų2069.9 Ų69.911%0.10540%0.399CS..Hα-helixtrans-75.3-31.4178-65.1176.7000112.5L318 Q319 D324 K333 Y340L318-L322 HydrophobicContact CG-CD1 4.13Å; L318-L322 HydrophobicContact CG-CG 4.41Å; L318-L322 WeakPolarHBondContact O-CG 3.09Å; L318-L322 PolarHBondContact O-N 3.02Å; Q319-L322 PolarHBondContact O-N 3.01Å; L322-D324 VanDerWaalsContact C-N 3.33Å; L322-K333 WeakPolarHBondContact O-CE 3.25Å; L322-K333 PolarHBondContact O-NZ 3.24Å; L322-Y340 HydrophobicContact CD1-CD2 4.06Å; L322-Y340 HydrophobicContact CD1-CG 4.29Å
323D89.4Confident87.1Confident83 Ų8368.9 Ų68.944%0.44439%0.388SS..SBendtrans-84.7-3.6178.5-70.9-25.6000113Q319 Y325Q319-D323 WeakPolarHBondContact CG-OD2 3.46Å; Q319-D323 PolarHBondContact NE2-OD2 3.21Å; Q319-D323 VanDerWaalsContact NE2-OD2 3.13Å; Q319-D323 WeakPolarHBondContact O-CB 3.42Å; Q319-D323 PolarHBondContact O-N 3.32Å; D323-Y325 WeakPolarHBondContact O-CD2 3.31Å; D323-Y325 WeakPolarHBondContact O-CE2 3.48Å
324D87.8Confident87Confident52 Ų5266.3 Ų66.328%0.27838%0.377SS..  trans-74.9123.3171-170.3-10.2000110.6A320 L322 S326 N329 K333A320-D324 PolarHBondContact O-N 2.84Å; L322-D324 VanDerWaalsContact C-N 3.33Å; D324-S326 VanDerWaalsContact CG-OG 3.29Å; D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 3.11Å; D324-S326 PolarHBondContact OD1-OG 3.01Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; D324-N329 WeakPolarHBondContact OD2-CB 3.17Å; D324-N329 PolarHBondContact OD2-ND2 3.07Å; D324-K333 WeakPolarHBondContact O-CD 3.28Å; D324-K333 PolarHBondContact O-NZ 2.96Å
325Y82.1Confident87.1Confident191 Ų19167.1 Ų67.175%0.74938%0.383SS*.  trans-10810.5177.9-66.2-87.4000113.1D323D323-Y325 WeakPolarHBondContact O-CD2 3.31Å; D323-Y325 WeakPolarHBondContact O-CE2 3.48Å
326S86.1Confident87.1Confident42 Ų4265.7 Ų65.729%0.29438%0.377SS..  trans-68.8133.1176.966.20000111.9D324 S328 N329D324-S326 VanDerWaalsContact CG-OG 3.29Å; D324-S326 WeakPolarHBondContact OD1-CB 3.45Å; D324-S326 PolarHBondContact OD1-N 3.11Å; D324-S326 PolarHBondContact OD1-OG 3.01Å; D324-S326 PolarHBondContact OD2-OG 3.45Å; S326-S328 PolarHBondContact O-N 3.4Å; S326-S328 PolarHBondContact OG-OG 3.4Å; S326-N329 PolarHBondContact O-N 3.15Å; S326-N329 VanDerWaalsContact O-N 3.1Å; S326-N329 WeakPolarHBondContact OG-CB 3.01Å; S326-N329 PolarHBondContact OG-ND2 3Å
327V78Confident87.2Confident137 Ų13766.2 Ų66.283%0.8337%0.374SS*.G310 helixtrans-63.1-30.2-179.5-178.20000111.5N329 A330V327-N329 VanDerWaalsContact C-N 3.28Å; V327-N329 PolarHBondContact O-N 3.24Å; V327-A330 WeakPolarHBondContact O-CB 3.3Å; V327-A330 PolarHBondContact O-N 3.3Å
328S79.3Confident87.4Confident101 Ų10167.6 Ų67.671%0.70638%0.376SS*.G310 helixtrans-61.2-31.7174.643.40000113.7S326S326-S328 PolarHBondContact O-N 3.4Å; S326-S328 PolarHBondContact OG-OG 3.4Å
329N85.4Confident87.6Confident64 Ų6467.4 Ų67.434%0.34238%0.375SS..G310 helixtrans-103.211.9-174.9-64.7-14.1000113.1D324 S326 V327 Q331 V332 K333D324-N329 WeakPolarHBondContact OD2-CB 3.17Å; D324-N329 PolarHBondContact OD2-ND2 3.07Å; S326-N329 PolarHBondContact O-N 3.15Å; S326-N329 VanDerWaalsContact O-N 3.1Å; S326-N329 WeakPolarHBondContact OG-CB 3.01Å; S326-N329 PolarHBondContact OG-ND2 3Å; V327-N329 VanDerWaalsContact C-N 3.28Å; V327-N329 PolarHBondContact O-N 3.24Å; N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.41Å; N329-V332 PolarHBondContact O-N 3.21Å; N329-K333 PolarHBondContact O-N 3Å
330A85.8Confident87.7Confident57 Ų5765.5 Ų65.547%0.47136%0.364SS..Hα-helixtrans-54.6-37.1-178.400000113.9V327 A334V327-A330 WeakPolarHBondContact O-CB 3.3Å; V327-A330 PolarHBondContact O-N 3.3Å; A330-A334 PolarHBondContact O-N 3.23Å
331Q85.9Confident87.9Confident95 Ų9563.7 Ų63.744%0.44435%0.352SS..Hα-helixtrans-67.7-44.7174.7-176.662.343.300111.9N329 K333 A334 D335N329-Q331 VanDerWaalsContact C-N 3.26Å; N329-Q331 PolarHBondContact O-N 3.41Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 3.26Å; Q331-A334 WeakPolarHBondContact O-CB 3.48Å; Q331-A334 PolarHBondContact O-N 2.68Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; Q331-D335 PolarHBondContact NE2-OD1 3.37Å; Q331-D335 PolarHBondContact O-N 3.26Å
332V87.6Confident88.1Confident66 Ų6662.3 Ų62.340%0.435%0.346SS..Hα-helixtrans-63.1-37.4179.1-1720000110.4L285 V321 N329 D335 G336L285-V332 HydrophobicContact CD1-CG1 3.73Å; L285-V332 WeakPolarHBondContact CD1-O 3.16Å; V321-V332 HydrophobicContact CG1-CG1 3.9Å; N329-V332 PolarHBondContact O-N 3.21Å; V332-D335 PolarHBondContact O-N 3.5Å; V332-G336 PolarHBondContact O-N 3.03Å
333K89.2Confident88.3Confident39 Ų3961.4 Ų61.417%0.1734%0.341CS..Hα-helixtrans-63.5-43.7172.1-170.8177.9-167.7130.40112.4L322 D324 N329 Q331 G336 H337L322-K333 WeakPolarHBondContact O-CE 3.25Å; L322-K333 PolarHBondContact O-NZ 3.24Å; D324-K333 WeakPolarHBondContact O-CD 3.28Å; D324-K333 PolarHBondContact O-NZ 2.96Å; N329-K333 PolarHBondContact O-N 3Å; Q331-K333 VanDerWaalsContact C-N 3.27Å; Q331-K333 PolarHBondContact O-N 3.26Å; K333-G336 PolarHBondContact O-N 3.18Å; K333-H337 PolarHBondContact O-CD2 3.33Å; K333-H337 PolarHBondContact O-N 3.34Å
334A88.8Confident88.5Confident47 Ų4757.8 Ų57.839%0.38832%0.321SS..Hα-helixtrans-61.8-43.4176.400000112A330 Q331 G336 H337 K338A330-A334 PolarHBondContact O-N 3.23Å; Q331-A334 WeakPolarHBondContact O-CB 3.48Å; Q331-A334 PolarHBondContact O-N 2.68Å; Q331-A334 VanDerWaalsContact O-N 3.12Å; A334-G336 VanDerWaalsContact C-N 3.34Å; A334-H337 PolarHBondContact O-N 3.24Å; A334-K338 PolarHBondContact O-N 2.95Å; A334-K338 VanDerWaalsContact O-N 3.17Å
335D89.9Confident88.7Confident33 Ų3358.5 Ų58.518%0.17633%0.327CS..Hα-helixtrans-65-37.8174.2-64.3-5.1000111.3W242 L285 Q331 V332 H337 K338 V339W242-D335 HydrophobicContact CH2-CB 4.06Å; W242-D335 HydrophobicContact CZ2-CB 4.29Å; W242-D335 WeakPolarHBondContact CZ2-OD1 3.49Å; L285-D335 HydrophobicContact CB-CB 4.11Å; L285-D335 HydrophobicContact CD1-CB 4.01Å; Q331-D335 PolarHBondContact NE2-OD1 3.37Å; Q331-D335 PolarHBondContact O-N 3.26Å; V332-D335 PolarHBondContact O-N 3.5Å; D335-H337 PolarHBondContact O-N 3.17Å; D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.22Å; D335-K338 VanDerWaalsContact O-N 3.14Å; D335-V339 PolarHBondContact O-N 3.18Å; D335-V339 VanDerWaalsContact O-N 3.1Å
336G91.2Very high89.2Confident0 Ų049.4 Ų49.40%029%0.292CS..Hα-helixtrans-59.9-43.1172.900000112.5V332 K333 A334 K338 V339 Y340V332-G336 PolarHBondContact O-N 3.03Å; K333-G336 PolarHBondContact O-N 3.18Å; A334-G336 VanDerWaalsContact C-N 3.34Å; G336-K338 VanDerWaalsContact C-N 3.31Å; G336-K338 PolarHBondContact O-N 3.03Å; G336-V339 PolarHBondContact O-N 3.17Å; G336-Y340 WeakPolarHBondContact O-CB 3.26Å; G336-Y340 PolarHBondContact O-N 3.14Å
337H91.5Very high89.5Confident96 Ų9647.5 Ų47.544%0.44428%0.279SS..Hα-helixtrans-64.4-31.4174-75.9-64.6000113K333 A334 D335 G341K333-H337 PolarHBondContact O-CD2 3.33Å; K333-H337 PolarHBondContact O-N 3.34Å; A334-H337 PolarHBondContact O-N 3.24Å; D335-H337 PolarHBondContact O-N 3.17Å; H337-G341 PolarHBondContact O-N 2.96Å
338K91.8Very high90.1Very high105 Ų10542.8 Ų42.846%0.45725%0.247SC..Hα-helixtrans-64.6-46.9171.8-66.7-77.9-172.2165.80111.4W242 Y289 A334 D335 G336 G341 A342W242-K338 HydrophobicContact CD2-CG 4.47Å; W242-K338 HydrophobicContact CE3-CB 4.31Å; W242-K338 HydrophobicContact CH2-CB 4.16Å; W242-K338 HydrophobicContact CH2-CG 4.34Å; W242-K338 HydrophobicContact CZ2-CG 4.26Å; W242-K338 HydrophobicContact CZ3-CB 4.01Å; W242-K338 HydrophobicContact CZ3-CG 4.48Å; Y289-K338 HydrophobicContact CD2-CB 4.19Å; Y289-K338 HydrophobicContact CE2-CB 4.3Å; A334-K338 PolarHBondContact O-N 2.95Å; A334-K338 VanDerWaalsContact O-N 3.17Å; D335-K338 WeakPolarHBondContact O-CB 3.4Å; D335-K338 PolarHBondContact O-N 3.22Å; D335-K338 VanDerWaalsContact O-N 3.14Å; G336-K338 VanDerWaalsContact C-N 3.31Å; G336-K338 PolarHBondContact O-N 3.03Å; K338-G341 PolarHBondContact O-N 3.36Å; K338-A342 PolarHBondContact O-N 2.69Å
339V93.4Very high90.5Very high0 Ų043.9 Ų43.90%024%0.236CC..Hα-helixtrans-61.7-47.4176.11790000110.9L285 Y314 L318 D335 G336 G341 A342 I343L285-V339 HydrophobicContact CB-CG2 4.11Å; L285-V339 HydrophobicContact CD2-CG2 4.43Å; L285-V339 WeakPolarHBondContact O-CG2 3.47Å; Y314-V339 HydrophobicContact CE1-CG1 4.06Å; L318-V339 HydrophobicContact CD1-CB 4.42Å; L318-V339 HydrophobicContact CD1-CG1 4.45Å; L318-V339 HydrophobicContact CD2-CG1 4.44Å; D335-V339 PolarHBondContact O-N 3.18Å; D335-V339 VanDerWaalsContact O-N 3.1Å; G336-V339 PolarHBondContact O-N 3.17Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-G341 PolarHBondContact O-N 3.19Å; V339-A342 PolarHBondContact O-N 2.74Å; V339-A342 VanDerWaalsContact O-N 3.16Å; V339-I343 HydrophobicContact CG1-CD1 3.84Å; V339-I343 HydrophobicContact CG1-CG1 4.38Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.93Å
340Y93.3Very high90.8Very high39 Ų3941 Ų4115%0.15322%0.221CC..Hα-helixtrans-54.3-47.5176176.8-102.4000112.2W315 L322 G336 A342 I343 L344 F428 S431W315-Y340 HydrophobicContact CH2-CD2 4.06Å; W315-Y340 AromaticContact CH2-CE2 3.64Å; W315-Y340 HydrophobicContact CH2-CE2 3.64Å; W315-Y340 AromaticContact CZ3-CD2 3.75Å; W315-Y340 HydrophobicContact CZ3-CD2 3.75Å; W315-Y340 AromaticContact CZ3-CE2 3.65Å; W315-Y340 HydrophobicContact CZ3-CE2 3.65Å; L322-Y340 HydrophobicContact CD1-CD2 4.06Å; L322-Y340 HydrophobicContact CD1-CG 4.29Å; G336-Y340 WeakPolarHBondContact O-CB 3.26Å; G336-Y340 PolarHBondContact O-N 3.14Å; Y340-A342 PolarHBondContact O-N 3.41Å; Y340-I343 PolarHBondContact O-N 3.29Å; Y340-L344 HydrophobicContact CD1-CD1 3.93Å; Y340-L344 HydrophobicContact CE1-CD1 3.37Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 PolarHBondContact O-N 3.12Å; Y340-F428 HydrophobicContact CD2-CD1 4.43Å; Y340-F428 HydrophobicContact CD2-CE1 4.32Å; Y340-F428 AromaticContact CE2-CD1 3.66Å; Y340-F428 HydrophobicContact CE2-CD1 3.66Å; Y340-F428 AromaticContact CE2-CE1 3.99Å; Y340-F428 HydrophobicContact CE2-CE1 3.99Å; Y340-S431 WeakPolarHBondContact OH-CB 3.47Å; Y340-S431 PolarHBondContact OH-OG 2.71Å; Y340-S431 VanDerWaalsContact OH-OG 3.07Å
341G92.4Very high91Very high29 Ų2938.6 Ų38.630%0.29920%0.2SC..Hα-helixtrans-60.8-42.5176.200000113.3H337 K338 V339 L344 V345H337-G341 PolarHBondContact O-N 2.96Å; K338-G341 PolarHBondContact O-N 3.36Å; V339-G341 VanDerWaalsContact C-N 3.34Å; V339-G341 PolarHBondContact O-N 3.19Å; G341-L344 PolarHBondContact O-N 3.39Å; G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 2.88Å; G341-V345 VanDerWaalsContact O-N 3.1Å
342A93.3Very high91.1Very high13 Ų1337.5 Ų37.511%0.10719%0.194CC..Hα-helixtrans-64.2-40.2176.400000112.3Y289 V292 V293 K338 V339 Y340 V345 A346Y289-A342 HydrophobicContact CD2-CB 3.87Å; Y289-A342 HydrophobicContact CE2-CB 3.77Å; V292-A342 HydrophobicContact CB-CB 4.44Å; V292-A342 HydrophobicContact CG1-CB 3.9Å; V293-A342 HydrophobicContact CG2-CB 4.03Å; K338-A342 PolarHBondContact O-N 2.69Å; V339-A342 PolarHBondContact O-N 2.74Å; V339-A342 VanDerWaalsContact O-N 3.16Å; Y340-A342 PolarHBondContact O-N 3.41Å; A342-V345 PolarHBondContact O-N 3.41Å; A342-A346 WeakPolarHBondContact O-CB 3.33Å; A342-A346 PolarHBondContact O-N 3.03Å
343I93.4Very high91.2Very high0 Ų036.3 Ų36.30%018%0.184CC..Hα-helixtrans-64.9-45.1176.6-67.1171.9000110.5V292 L307 L311 Y314 L318 V339 Y340 V345 A346 V347 F428V292-I343 HydrophobicContact CB-CG1 4.42Å; V292-I343 HydrophobicContact CG1-CB 4.5Å; V292-I343 HydrophobicContact CG1-CG1 3.82Å; V292-I343 HydrophobicContact CG2-CD1 4.33Å; V292-I343 HydrophobicContact CG2-CG1 3.76Å; L307-I343 HydrophobicContact CD2-CG2 4.35Å; L311-I343 HydrophobicContact CD1-CG2 3.85Å; Y314-I343 HydrophobicContact CD1-CD1 3.98Å; Y314-I343 HydrophobicContact CE1-CD1 3.74Å; L318-I343 HydrophobicContact CD2-CD1 4.09Å; V339-I343 HydrophobicContact CG1-CD1 3.84Å; V339-I343 HydrophobicContact CG1-CG1 4.38Å; V339-I343 WeakPolarHBondContact O-CG1 3.39Å; V339-I343 PolarHBondContact O-N 2.93Å; Y340-I343 PolarHBondContact O-N 3.29Å; I343-V345 VanDerWaalsContact C-N 3.34Å; I343-V345 PolarHBondContact O-N 3.22Å; I343-A346 PolarHBondContact O-N 3.49Å; I343-V347 HydrophobicContact CG2-CG2 4.28Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 WeakPolarHBondContact O-CG2 3.44Å; I343-V347 PolarHBondContact O-N 2.86Å; I343-F428 HydrophobicContact CG2-CE1 3.91Å; I343-F428 HydrophobicContact CG2-CE2 4.39Å; I343-F428 HydrophobicContact CG2-CZ 3.43Å; I343-F428 VanDerWaalsContact CG2-CZ 3.43Å
344L91.8Very high91Very high8 Ų836.4 Ų36.44%0.04218%0.184CC..Hα-helixtrans-55.4-47.3175.1-81.4177000112Y340 G341 A346 V347 E348 F428Y340-L344 HydrophobicContact CD1-CD1 3.93Å; Y340-L344 HydrophobicContact CE1-CD1 3.37Å; Y340-L344 HydrophobicContact CE1-CG 4.18Å; Y340-L344 PolarHBondContact O-N 3.12Å; G341-L344 PolarHBondContact O-N 3.39Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.2Å; L344-V347 PolarHBondContact O-N 3.19Å; L344-E348 VanDerWaalsContact O-CB 3.25Å; L344-E348 WeakPolarHBondContact O-CB 3.46Å; L344-E348 PolarHBondContact O-N 3.45Å; L344-F428 HydrophobicContact CD2-CB 3.78Å; L344-F428 HydrophobicContact CD2-CD1 3.44Å; L344-F428 VanDerWaalsContact CD2-CD1 3.44Å; L344-F428 HydrophobicContact CD2-CD2 4.33Å; L344-F428 HydrophobicContact CD2-CE1 4.18Å; L344-F428 HydrophobicContact CD2-CG 3.57Å; L344-F428 HydrophobicContact CG-CD1 4.07Å; L344-F428 HydrophobicContact CG-CE1 4.47Å
345V92.4Very high90.8Very high66 Ų6636.2 Ų36.240%0.418%0.183SC..Hα-helixtrans-65.4-37.3178.6172.90000111.7G341 A342 I343 R349G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 2.88Å; G341-V345 VanDerWaalsContact O-N 3.1Å; A342-V345 PolarHBondContact O-N 3.41Å; I343-V345 VanDerWaalsContact C-N 3.34Å; I343-V345 PolarHBondContact O-N 3.22Å; V345-R349 WeakPolarHBondContact O-CB 3.28Å; V345-R349 PolarHBondContact O-N 3.15Å; V345-R349 VanDerWaalsContact O-N 3.08Å
346A92.3Very high90.6Very high0 Ų040.9 Ų40.90%020%0.204CC..Hα-helixtrans-65.3-44.1174.700000112.6V292 H296 V303 L307 A342 I343 L344 R349 L350V292-A346 HydrophobicContact CG1-CB 4.24Å; H296-A346 HydrophobicContact CB-CB 4.22Å; V303-A346 HydrophobicContact CG1-CB 4.19Å; V303-A346 HydrophobicContact CG2-CB 4.34Å; L307-A346 HydrophobicContact CD2-CB 4.02Å; A342-A346 WeakPolarHBondContact O-CB 3.33Å; A342-A346 PolarHBondContact O-N 3.03Å; I343-A346 PolarHBondContact O-N 3.49Å; L344-A346 VanDerWaalsContact C-N 3.35Å; L344-A346 PolarHBondContact O-N 3.2Å; A346-R349 PolarHBondContact O-N 3.27Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 2.92Å
347V92.1Very high90Very high3 Ų343.9 Ų43.92%0.01823%0.228CC..Hα-helixtrans-67.9-44.1177.6159.70000111.9I343 L344 R349 L350 L351 L424 F428 L432I343-V347 HydrophobicContact CG2-CG2 4.28Å; I343-V347 WeakPolarHBondContact O-CB 3.46Å; I343-V347 WeakPolarHBondContact O-CG2 3.44Å; I343-V347 PolarHBondContact O-N 2.86Å; L344-V347 PolarHBondContact O-N 3.19Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.2Å; V347-L350 WeakPolarHBondContact O-CB 3.34Å; V347-L350 PolarHBondContact O-N 3.16Å; V347-L351 HydrophobicContact CG1-CD1 3.98Å; V347-L351 WeakPolarHBondContact O-CG 3.46Å; V347-L351 PolarHBondContact O-N 3.41Å; V347-L424 HydrophobicContact CG1-CB 4.28Å; V347-L424 HydrophobicContact CG1-CD1 3.87Å; V347-L424 HydrophobicContact CG1-CD2 4.25Å; V347-L424 HydrophobicContact CG1-CG 4.36Å; V347-L424 HydrophobicContact CG2-CD2 4.07Å; V347-F428 HydrophobicContact CG1-CD2 4.4Å; V347-F428 HydrophobicContact CG1-CE2 4.34Å; V347-F428 HydrophobicContact CG2-CE2 4Å; V347-F428 HydrophobicContact CG2-CZ 4.48Å; V347-L432 HydrophobicContact CG1-CD1 3.79Å
348E90.8Very high89.1Confident38 Ų3842.2 Ų42.218%0.17823%0.231CC..Hα-helixtrans-57.6-46.2175-173.9-162.1135.800110.6L344 L351 K352 R435 F436L344-E348 VanDerWaalsContact O-CB 3.25Å; L344-E348 WeakPolarHBondContact O-CB 3.46Å; L344-E348 PolarHBondContact O-N 3.45Å; E348-L351 PolarHBondContact O-N 3.07Å; E348-K352 HydrophobicContact CG-CD 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 2.9Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å; E348-R435 HydrophobicContact CG-CB 4.04Å; E348-R435 WeakPolarHBondContact OE2-CB 3.4Å; E348-R435 WeakPolarHBondContact OE2-CD 3.33Å; E348-R435 WeakPolarHBondContact OE2-CG 3.25Å; E348-F436 HydrophobicContact CB-CZ 4.5Å; E348-F436 HydrophobicContact CG-CE2 4.12Å; E348-F436 HydrophobicContact CG-CZ 3.91Å
349R89.3Confident87.6Confident123 Ų12343.5 Ų43.546%0.46424%0.239SC..Hα-helixtrans-65.6-38.6176.7-173.259.5171.5-179.3-0.8112.1V345 A346 V347 M353V345-R349 WeakPolarHBondContact O-CB 3.28Å; V345-R349 PolarHBondContact O-N 3.15Å; V345-R349 VanDerWaalsContact O-N 3.08Å; A346-R349 PolarHBondContact O-N 3.27Å; V347-R349 VanDerWaalsContact C-N 3.31Å; V347-R349 PolarHBondContact O-N 3.2Å; R349-M353 HydrophobicContact CG-CG 4.31Å; R349-M353 VanDerWaalsContact CZ-SD 3.52Å; R349-M353 WeakPolarHBondContact O-CB 3.46Å; R349-M353 WeakPolarHBondContact O-CG 3.35Å; R349-M353 PolarHBondContact O-N 3.46Å
350L90.6Very high85.7Confident4 Ų448.8 Ų48.82%0.02127%0.273CS..Hα-helixtrans-58.3-53.3174.4170.960.2000111.1W300 V303 E304 A346 V347 M353 K354W300-L350 HydrophobicContact CB-CD1 4.24Å; W300-L350 HydrophobicContact CE3-CD1 3.95Å; V303-L350 HydrophobicContact CG1-CB 4.3Å; V303-L350 HydrophobicContact CG1-CD2 4.19Å; E304-L350 HydrophobicContact CB-CD1 3.82Å; E304-L350 HydrophobicContact CG-CD1 4.37Å; A346-L350 WeakPolarHBondContact O-CB 3.47Å; A346-L350 PolarHBondContact O-N 2.92Å; V347-L350 WeakPolarHBondContact O-CB 3.34Å; V347-L350 PolarHBondContact O-N 3.16Å; L350-M353 PolarHBondContact O-N 2.64Å; L350-K354 VanDerWaalsContact O-CB 3.31Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.81Å
351L89.6Confident83.7Confident7 Ų753.8 Ų53.84%0.03730%0.303CS..Hα-helixtrans-61.7-46.2-179.6-72.6165.5000112V347 E348 M353 K354 A355 I420 Y421 L424 L432 F436V347-L351 HydrophobicContact CG1-CD1 3.98Å; V347-L351 WeakPolarHBondContact O-CG 3.46Å; V347-L351 PolarHBondContact O-N 3.41Å; E348-L351 PolarHBondContact O-N 3.07Å; L351-M353 PolarHBondContact O-N 2.9Å; L351-K354 PolarHBondContact O-N 3.46Å; L351-A355 WeakPolarHBondContact O-CB 3.34Å; L351-A355 PolarHBondContact O-N 3.47Å; L351-I420 HydrophobicContact CD2-CG2 4.1Å; L351-Y421 HydrophobicContact CD1-CD2 3.99Å; L351-Y421 HydrophobicContact CD2-CD2 4.32Å; L351-L424 HydrophobicContact CD1-CD1 4.33Å; L351-L424 HydrophobicContact CD2-CD1 4.32Å; L351-L424 HydrophobicContact CG-CD1 4.34Å; L351-L432 HydrophobicContact CD1-CD1 4.12Å; L351-L432 HydrophobicContact CD1-CD2 4.19Å; L351-F436 HydrophobicContact CB-CE1 4.38Å; L351-F436 HydrophobicContact CB-CZ 3.75Å; L351-F436 HydrophobicContact CD1-CE2 4Å; L351-F436 HydrophobicContact CD1-CZ 4.01Å
352K89.3Confident81.3Confident72 Ų7263.4 Ų63.431%0.31333%0.33SS..Hα-helixtrans-59.9-44.1177.3-73.4179.6178176.30112.2E348 Q356 F436E348-K352 HydrophobicContact CG-CD 4.15Å; E348-K352 WeakPolarHBondContact O-CB 3.32Å; E348-K352 WeakPolarHBondContact O-CG 3.48Å; E348-K352 PolarHBondContact O-N 2.9Å; E348-K352 WeakPolarHBondContact OE1-CE 3.44Å; E348-K352 IonicContact OE1-NZ 3Å; E348-K352 PolarHBondContact OE1-NZ 3.47Å; K352-Q356 WeakPolarHBondContact O-CG 3.48Å; K352-Q356 PolarHBondContact O-N 3.04Å; K352-F436 HydrophobicContact CD-CE1 4.3Å; K352-F436 HydrophobicContact CG-CE1 3.61Å; K352-F436 HydrophobicContact CG-CZ 4.12Å
353M88.4Confident78.5Confident40 Ų4066.3 Ų66.320%0.19736%0.361CS..Hα-helixtrans-73.3-35.2179.2-65.5-58-5000112.7W300 R349 L350 L351 Q356 A357W300-M353 HydrophobicContact CB-CB 3.97Å; W300-M353 HydrophobicContact CB-CG 4.21Å; W300-M353 VanDerWaalsContact CD1-CB 3.46Å; W300-M353 HydrophobicContact CD2-CB 4Å; W300-M353 HydrophobicContact CG-CB 3.56Å; W300-M353 HydrophobicContact CG-CG 4.03Å; R349-M353 HydrophobicContact CG-CG 4.31Å; R349-M353 VanDerWaalsContact CZ-SD 3.52Å; R349-M353 WeakPolarHBondContact O-CB 3.46Å; R349-M353 WeakPolarHBondContact O-CG 3.35Å; R349-M353 PolarHBondContact O-N 3.46Å; L350-M353 PolarHBondContact O-N 2.64Å; L351-M353 PolarHBondContact O-N 2.9Å; M353-Q356 PolarHBondContact O-N 3.37Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.48Å
354K85.8Confident75.8Confident41 Ų4169.5 Ų69.518%0.17839%0.394CS..Hα-helixtrans-70.2-34.1176.8-166.2163-178.6162.50111.7E304 L350 L351 A357 A358 L417 I420E304-K354 IonicContact OE1-NZ 2.74Å; E304-K354 PolarHBondContact OE1-NZ 2.95Å; L350-K354 VanDerWaalsContact O-CB 3.31Å; L350-K354 WeakPolarHBondContact O-CB 3.43Å; L350-K354 PolarHBondContact O-N 2.81Å; L351-K354 PolarHBondContact O-N 3.46Å; K354-A357 PolarHBondContact O-N 3.36Å; K354-A358 WeakPolarHBondContact O-CB 3.49Å; K354-A358 PolarHBondContact O-N 3.39Å; K354-L417 HydrophobicContact CB-CD1 4.21Å; K354-L417 HydrophobicContact CG-CD1 4.27Å; K354-I420 HydrophobicContact CD-CD1 4.01Å
355A85.3Confident73Confident43 Ų4378 Ų7836%0.35544%0.439SS..Hα-helixtrans-62.6-46.4170.700000111.8L351 A357 A358 E359 L417L351-A355 WeakPolarHBondContact O-CB 3.34Å; L351-A355 PolarHBondContact O-N 3.47Å; A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.27Å; A355-A358 PolarHBondContact O-N 2.99Å; A355-A358 VanDerWaalsContact O-N 3.14Å; A355-E359 PolarHBondContact O-N 2.93Å; A355-L417 HydrophobicContact CB-CD1 3.73Å; A355-L417 VanDerWaalsContact N-CD1 3.27Å
356Q84.3Confident70.1Confident132 Ų13278.4 Ų78.462%0.61746%0.456SS*.Hα-helixtrans-63.8-30.3175.9-70.8173.7-2.900113.2K352 M353K352-Q356 WeakPolarHBondContact O-CG 3.48Å; K352-Q356 PolarHBondContact O-N 3.04Å; M353-Q356 PolarHBondContact O-N 3.37Å
357A79.8Confident67.2Low62 Ų6282.6 Ų82.651%0.51250%0.5SS..Hα-helixtrans-78.5-23.4174.900000113.5W300 M353 K354 A355W300-A357 HydrophobicContact CH2-CB 4.45Å; W300-A357 HydrophobicContact CZ2-CB 4.43Å; M353-A357 WeakPolarHBondContact O-CB 3.46Å; M353-A357 PolarHBondContact O-N 3.48Å; K354-A357 PolarHBondContact O-N 3.36Å; A355-A357 VanDerWaalsContact C-N 3.27Å; A355-A357 PolarHBondContact O-N 3.27Å
358A72.8Confident64.2Low62 Ų6291.2 Ų91.251%0.51253%0.532SS..Hα-helixtrans-85.9-10.2-178.700000114.2K354 A355 P360K354-A358 WeakPolarHBondContact O-CB 3.49Å; K354-A358 PolarHBondContact O-N 3.39Å; A355-A358 PolarHBondContact O-N 2.99Å; A355-A358 VanDerWaalsContact O-N 3.14Å; A358-P360 WeakPolarHBondContact O-CD 3.5Å
359E59.4Low61.1Low132 Ų13293 Ų9362%0.61756%0.56SS**  trans-106.370176.2-78.3-72.914900112.2A355 N361A355-E359 PolarHBondContact O-N 2.93Å; E359-N361 PolarHBondContact O-N 3.44Å; E359-N361 VanDerWaalsContact O-N 3.07Å
360P53.8Low58.4Low111 Ų11194.8 Ų94.872%0.72157%0.568SS**  trans-75.398.2168.732.8-32.4000109.7A358A358-P360 WeakPolarHBondContact O-CD 3.5Å
361N51.6Low55.5Low143 Ų143104.7 Ų104.777%0.76561%0.605SS**  trans74.267.5156.9-161.734.7000117.4E359E359-N361 PolarHBondContact O-N 3.44Å; E359-N361 VanDerWaalsContact O-N 3.07Å
362R41.9Very low52.9Low231 Ų231111.3 Ų111.387%0.87265%0.648SS**SBendtrans-100101.7153.6-102.8-170.6174.3-143.80.5111.5
363G33.6Very low50.2Low74 Ų74111.2 Ų111.276%0.76366%0.661SS**  trans86.2106.5165.100000115.2
364G36.5Very low47.7Very low68 Ų68117.8 Ų117.870%0.70169%0.691SS**  trans-84.4135.6171.600000112.4
365L34.6Very low45Very low187 Ų187122.7 Ų122.798%0.97972%0.719SS**  trans171.499.5140.1-94.2166.7000108.2
366G31.5Very low42.8Very low73 Ų73126.1 Ų126.175%0.75373%0.731SS**  trans140.961.8-177.200000113.2R368G366-R368 PolarHBondContact O-N 3.37Å
367G30.6Very low40.3Very low89 Ų89124.9 Ų124.992%0.91874%0.735SS**  trans-7169-178.300000113.9G369G367-G369 PolarHBondContact O-N 2.89Å
368R28.9Very low38.3Very low184 Ų184129 Ų12969%0.69474%0.737SS**  trans-76.291.1169.1-158.9175.1-158.7-122.50.7108.6G366 Y370G366-R368 PolarHBondContact O-N 3.37Å; R368-Y370 VanDerWaalsContact C-N 3.31Å; R368-Y370 HydrophobicContact CB-CD2 4.4Å; R368-Y370 HydrophobicContact CB-CE2 4.3Å; R368-Y370 HydrophobicContact CG-CD2 4.25Å; R368-Y370 HydrophobicContact CG-CE2 4.03Å; R368-Y370 VanDerWaalsContact NH1-CZ 3.27Å; R368-Y370 PolarHBondContact NH1-OH 2.9Å; R368-Y370 WeakPolarHBondContact O-CD2 3.2Å; R368-Y370 PolarHBondContact O-N 3.49Å
369G27Very low36.4Very low75 Ų75131.3 Ų131.377%0.77374%0.741SS**  trans-65.686.6175.900000111.5G367 R371G367-G369 PolarHBondContact O-N 2.89Å; G369-R371 PolarHBondContact O-N 3.35Å
370Y32.5Very low35.2Very low160 Ų160130.5 Ų130.563%0.62775%0.75SS**  trans-65.4103.3174.1-87.4-90.9000110.4R368R368-Y370 VanDerWaalsContact C-N 3.31Å; R368-Y370 HydrophobicContact CB-CD2 4.4Å; R368-Y370 HydrophobicContact CB-CE2 4.3Å; R368-Y370 HydrophobicContact CG-CD2 4.25Å; R368-Y370 HydrophobicContact CG-CE2 4.03Å; R368-Y370 VanDerWaalsContact NH1-CZ 3.27Å; R368-Y370 PolarHBondContact NH1-OH 2.9Å; R368-Y370 WeakPolarHBondContact O-CD2 3.2Å; R368-Y370 PolarHBondContact O-N 3.49Å
371R28Very low34.6Very low213 Ų213130.4 Ų130.480%0.80474%0.742SS**  trans-68.2141.7148.4-73.7-179.8166.3-173.8-6.4107.8G369 A373G369-R371 PolarHBondContact O-N 3.35Å; R371-A373 VanDerWaalsContact C-N 3.28Å; R371-A373 PolarHBondContact O-N 3.31Å
372P34.9Very low34.2Very low145 Ų145127.2 Ų127.294%0.94273%0.725SS**SBendtrans-70.488.7168.9-12.227.8000109.2
373A34Very low33.7Very low70 Ų70124.5 Ų124.558%0.57973%0.727SS**  trans-145.5130171.500000107.9R371R371-A373 VanDerWaalsContact C-N 3.28Å; R371-A373 PolarHBondContact O-N 3.31Å
374E34.5Very low33.8Very low178 Ų178129.9 Ų129.983%0.83273%0.732SS**SBendtrans6168.8161.9-62169.9-174.500115.7
375D29.6Very low33.2Very low144 Ų144135.9 Ų135.977%0.7774%0.742SS**  trans-155.165.5151.4-94.8-36.4000108.9
376L39.1Very low32.7Very low116 Ų116132.6 Ų132.661%0.60774%0.735SS**  trans-124.9118.4168.3-78.4171.8000108.2W378L376-W378 PolarHBondContact O-N 3.32Å
377P32.6Very low32.5Very low106 Ų106134.8 Ų134.869%0.68874%0.736SS**THydrogen-bonded Turntrans-79.139-174.134.8-37.8000113
378W38.1Very low32.5Very low148 Ų148136.9 Ų136.956%0.56173%0.733SS**THydrogen-bonded Turntrans-132.7-8.5-171.5-62.3111.2000114.6L376 S380 L381L376-W378 PolarHBondContact O-N 3.32Å; W378-S380 PolarHBondContact O-N 3.1Å; W378-L381 HydrophobicContact CE3-CD1 3.69Å; W378-L381 HydrophobicContact CE3-CG 4.4Å; W378-L381 HydrophobicContact CZ3-CD1 4.03Å; W378-L381 PolarHBondContact O-N 2.86Å
379D31.4Very low32.5Very low111 Ų111132.2 Ų132.259%0.59474%0.742SS**G310 helixtrans-63-22.7171.7-87.5-44.6000112.2L381 L382D379-L381 PolarHBondContact O-N 3.46Å; D379-L381 VanDerWaalsContact O-N 3.13Å; D379-L382 PolarHBondContact O-N 3.28Å
380S34.5Very low32.4Very low115 Ų115132.5 Ų132.580%0.80475%0.745SS**G310 helixtrans-65-10.6177.4-53.10000115.5W378W378-S380 PolarHBondContact O-N 3.1Å
381L41.6Very low32Very low108 Ų108130.4 Ų130.457%0.56575%0.754SS**G310 helixtrans-84.1-10.1-179.5-70.7-178.4000114.3W378 D379W378-L381 HydrophobicContact CE3-CD1 3.69Å; W378-L381 HydrophobicContact CE3-CG 4.4Å; W378-L381 HydrophobicContact CZ3-CD1 4.03Å; W378-L381 PolarHBondContact O-N 2.86Å; D379-L381 PolarHBondContact O-N 3.46Å; D379-L381 VanDerWaalsContact O-N 3.13Å
382L42.9Very low31.9Very low76 Ų76125.9 Ų125.940%0.39876%0.755SS.*SBendtrans-140.859.9-170-69173.2000114.7D379D379-L382 PolarHBondContact O-N 3.28Å
383L32.5Very low31.5Very low175 Ų175128 Ų12892%0.91675%0.752SS**  trans95.9136.9168.8-62158.3000117.8
384Q33.8Very low31.1Very low186 Ų186130.4 Ų130.487%0.86976%0.76SS**  trans-102.9116.5-177.2170.5-172.5100110.1
385E25Very low30.7Very low194 Ų194125 Ų12591%0.90775%0.752SS**  trans-160.5152.3151.7-88.5-133.4130.500110.1
386S23.8Very low30.5Very low118 Ų118129 Ų12983%0.82576%0.763SS**  trans-129.6140.1-173.8-50.60000112.1
387P28.2Very low29.9Very low120 Ų120126.4 Ų126.478%0.77977%0.765SS**  trans-117.6156.316134.9-23.7000113.2
388P30.2Very low29.7Very low133 Ų133128 Ų12886%0.86478%0.778SS**  trans-85.1159.4-168.834.2-36.7000114.6
389G27.3Very low29Very low86 Ų86124.4 Ų124.489%0.88779%0.787SS**  trans-84.4175.3-171.800000116.9
390G25Very low28.7Very low80 Ų80127.1 Ų127.183%0.82580%0.801SS**  trans-168.2122.2174.400000111.4
391S25Very low28.6Very low117 Ų117126.9 Ų126.982%0.81880%0.797SS**  trans-83.2151.5-171.653.90000114.9
392S26.3Very low28Very low118 Ų118127.4 Ų127.483%0.82581%0.806SS**  171.4134.9121.456.40000112.6
393E25.8Very low27.4Very low189 Ų189129.8 Ų129.888%0.88383%0.827SS**  trans-91.9153.6170.9-61.5-168.2137.400112.5
394T24.9Very low27.6Very low120 Ų120127.8 Ų127.874%0.73683%0.827SS**  trans-155.1131.314441.70000108.6
395G27.7Very low27.2Very low66 Ų66122.3 Ų122.368%0.6882%0.821SS**  trans-118.4158.2174.600000112.1
396F24.2Very low27.3Very low226 Ų226120 Ų12099%0.99182%0.82SS**  trans-160.2152.2162-101.1-75.6000108.1
397G27.3Very low27.8Very low63 Ų63119.1 Ų119.165%0.64982%0.82SS**  trans-142.2-162.7-170.800000115.6
398S27.5Very low27.8Very low138 Ų138116.1 Ų116.197%0.96581%0.81SS**  trans74.4138.5-169.7-46.40000114.3
399G24.5Very low28Very low73 Ų73116 Ų11675%0.75381%0.809SS**  cis-164.9-166.6-7.800000107.8
400L25.2Very low28.1Very low169 Ų169120.9 Ų120.989%0.88581%0.809SS**  cis-142170.53.3-111.590.4000108.7
401P32.7Very low28.2Very low110 Ų110123.7 Ų123.771%0.71481%0.805SS**PPolyproline II helixtrans-95.6155.5-179.437.4-34.2000115
402P27.8Very low28.8Very low118 Ų118124.4 Ų124.477%0.76681%0.807SS**PPolyproline II helixtrans-89.4166.4161.336.3-31.5000112.2
403P30.5Very low29.7Very low127 Ų127123.8 Ų123.883%0.82580%0.803SS**PPolyproline II helixtrans-89.7162.6-153.334.8-37.5000116.4
404S36Very low30.9Very low132 Ų132119.8 Ų119.892%0.92380%0.796SS**PPolyproline II helixtrans-79.9151.2177.1-48.30000113.8
405G26.2Very low32.9Very low72 Ų72118 Ų11874%0.74278%0.781SS**  trans126.3126.318000000109.5
406V26.5Very low35.4Very low146 Ų146118.3 Ų118.389%0.88577%0.77SS**  cis-133.314721.7170.40000109.9G408V406-G408 PolarHBondContact O-N 3.33Å
407A35.9Very low38.2Very low99 Ų99110.4 Ų110.482%0.81874%0.738SS**PPolyproline II helixtrans-70.3117.3172.900000110.8
408G27.2Very low40.8Very low56 Ų56110 Ų11058%0.57773%0.728SS**PPolyproline II helixtrans-85.4158.8161.800000110.7V406V406-G408 PolarHBondContact O-N 3.33Å
409P34Very low43.5Very low131 Ų131106.1 Ų106.185%0.85170%0.697SS**PPolyproline II helixtrans-66139.6-17728.7-34.8000111.4
410E29.5Very low46.4Very low188 Ų188102.9 Ų102.988%0.87966%0.662SS**PPolyproline II helixtrans-73.4134.5176.3-61.2-170127.600111.1
411D27.4Very low49.4Very low139 Ų13997.8 Ų97.874%0.74363%0.632SS**PPolyproline II helixtrans-67.5128.3175.7-75.2-50.4000111S413D411-S413 VanDerWaalsContact C-N 3.3Å; D411-S413 PolarHBondContact O-N 2.91Å
412P38.1Very low51.9Low132 Ų132101.2 Ų101.286%0.85763%0.63SS**THydrogen-bonded Turntrans-80.968.9-175.833.6-36.7000112.2
413S44.9Very low54.7Low105 Ų10599.8 Ų99.873%0.73461%0.613SS**THydrogen-bonded Turntrans-161.624.6171.853.40000116.2D411 L415D411-S413 VanDerWaalsContact C-N 3.3Å; D411-S413 PolarHBondContact O-N 2.91Å; S413-L415 PolarHBondContact O-N 3.42Å; S413-L415 VanDerWaalsContact O-N 3.14Å
414S51.6Low57.4Low106 Ų10693.7 Ų93.774%0.74157%0.574SS**  trans-81.787172.448.80000112T416S414-T416 PolarHBondContact O-N 3.16Å
415L65.9Low59.9Low82 Ų8291.6 Ų91.643%0.42955%0.546SS..  trans-52.7128.7169.1-70.5173.6000110.3Y308 S413 I420Y308-L415 HydrophobicContact CE1-CD1 4Å; S413-L415 PolarHBondContact O-N 3.42Å; S413-L415 VanDerWaalsContact O-N 3.14Å; L415-I420 HydrophobicContact CB-CD1 4.05Å; L415-I420 HydrophobicContact CB-CG1 3.95Å
416T80.3Confident62.8Low73 Ų7392.5 Ų92.545%0.44854%0.541SS..  trans-70158-177.581.60000110.4S414 A418 D419 I420S414-T416 PolarHBondContact O-N 3.16Å; T416-A418 PolarHBondContact O-N 3.28Å; T416-A418 PolarHBondContact OG1-N 2.94Å; T416-D419 WeakPolarHBondContact CB-OD2 3.44Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.42Å; T416-D419 PolarHBondContact N-OD2 3.36Å; T416-D419 PolarHBondContact O-N 2.89Å; T416-D419 VanDerWaalsContact OG1-CG 3.23Å; T416-D419 PolarHBondContact OG1-N 3.49Å; T416-D419 PolarHBondContact OG1-OD2 2.91Å; T416-I420 WeakPolarHBondContact O-CG1 3.49Å; T416-I420 PolarHBondContact O-N 3.29Å; T416-I420 VanDerWaalsContact O-N 3.11Å
417L83.2Confident65.6Low60 Ų6087.7 Ų87.731%0.31451%0.509SS..Hα-helixtrans-58.9-32.9176.6-175.9147.7000112.1K354 A355 Y421K354-L417 HydrophobicContact CB-CD1 4.21Å; K354-L417 HydrophobicContact CG-CD1 4.27Å; A355-L417 HydrophobicContact CB-CD1 3.73Å; A355-L417 VanDerWaalsContact N-CD1 3.27Å; L417-Y421 WeakPolarHBondContact O-CB 3.44Å; L417-Y421 PolarHBondContact O-N 2.89Å
418A81.7Confident68Low53 Ų5383.3 Ų83.344%0.43847%0.471SS..Hα-helixtrans-68.6-39.1178.700000112.3T416 Y421 R422T416-A418 PolarHBondContact O-N 3.28Å; T416-A418 PolarHBondContact OG1-N 2.94Å; A418-Y421 PolarHBondContact O-N 3.12Å; A418-R422 VanDerWaalsContact O-CG 3.3Å; A418-R422 WeakPolarHBondContact O-CG 3.28Å; A418-R422 PolarHBondContact O-N 2.81Å
419D85.3Confident70.8Confident57 Ų5781.7 Ų81.731%0.30545%0.454SS..Hα-helixtrans-68.5-45.2177.9-54.8-47.9000110.7T416 Y421 R422 E423T416-D419 WeakPolarHBondContact CB-OD2 3.44Å; T416-D419 WeakPolarHBondContact CG2-OD2 3.42Å; T416-D419 PolarHBondContact N-OD2 3.36Å; T416-D419 PolarHBondContact O-N 2.89Å; T416-D419 VanDerWaalsContact OG1-CG 3.23Å; T416-D419 PolarHBondContact OG1-N 3.49Å; T416-D419 PolarHBondContact OG1-OD2 2.91Å; D419-Y421 VanDerWaalsContact C-N 3.31Å; D419-Y421 PolarHBondContact O-N 3.05Å; D419-R422 WeakPolarHBondContact O-CB 3.47Å; D419-R422 PolarHBondContact O-N 3.28Å; D419-R422 VanDerWaalsContact O-N 3.11Å; D419-E423 PolarHBondContact O-N 3.47Å
420I85.1Confident73.1Confident6 Ų680.6 Ų80.63%0.03144%0.442CS..Hα-helixtrans-59.5-42.2175.2-66.5167.7000110.9Y308 L351 K354 L415 T416 L424Y308-I420 HydrophobicContact CE2-CG1 4.49Å; Y308-I420 HydrophobicContact CE2-CG2 3.91Å; L351-I420 HydrophobicContact CD2-CG2 4.1Å; K354-I420 HydrophobicContact CD-CD1 4.01Å; L415-I420 HydrophobicContact CB-CD1 4.05Å; L415-I420 HydrophobicContact CB-CG1 3.95Å; T416-I420 WeakPolarHBondContact O-CG1 3.49Å; T416-I420 PolarHBondContact O-N 3.29Å; T416-I420 VanDerWaalsContact O-N 3.11Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 4.47Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CD1 3.49Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 2.95Å
421Y86.9Confident75.7Confident62 Ų6274 Ų7424%0.24342%0.416CS..Hα-helixtrans-64.2-41.5175.1-177.3-92.9000112L351 L417 A418 D419 L424 Y425 L432 F436L351-Y421 HydrophobicContact CD1-CD2 3.99Å; L351-Y421 HydrophobicContact CD2-CD2 4.32Å; L417-Y421 WeakPolarHBondContact O-CB 3.44Å; L417-Y421 PolarHBondContact O-N 2.89Å; A418-Y421 PolarHBondContact O-N 3.12Å; D419-Y421 VanDerWaalsContact C-N 3.31Å; D419-Y421 PolarHBondContact O-N 3.05Å; Y421-L424 PolarHBondContact O-N 3.12Å; Y421-Y425 AromaticContact CE1-CD2 3.84Å; Y421-Y425 HydrophobicContact CE1-CD2 3.84Å; Y421-Y425 AromaticContact CZ-CD2 3.91Å; Y421-Y425 VanDerWaalsContact O-CB 3.29Å; Y421-Y425 WeakPolarHBondContact O-CB 3.33Å; Y421-Y425 PolarHBondContact O-N 2.92Å; Y421-L432 HydrophobicContact CD2-CD2 4.39Å; Y421-L432 HydrophobicContact CE2-CD2 4.1Å; Y421-L432 HydrophobicContact CE2-CG 4.38Å; Y421-F436 HydrophobicContact CE2-CD2 4.44Å
422R85.9Confident78.4Confident181 Ų18167.3 Ų67.368%0.68338%0.38SS*.Hα-helixtrans-63.5-45.1178.2-76.9168.4170.1-177.2-4112.5A418 D419 Y425 S426A418-R422 VanDerWaalsContact O-CG 3.3Å; A418-R422 WeakPolarHBondContact O-CG 3.28Å; A418-R422 PolarHBondContact O-N 2.81Å; D419-R422 WeakPolarHBondContact O-CB 3.47Å; D419-R422 PolarHBondContact O-N 3.28Å; D419-R422 VanDerWaalsContact O-N 3.11Å; R422-Y425 PolarHBondContact O-N 3.23Å; R422-S426 PolarHBondContact O-N 3.04Å; R422-S426 VanDerWaalsContact O-N 3.15Å
423E87.1Confident80.4Confident88 Ų8861.2 Ų61.241%0.41134%0.341SS..Hα-helixtrans-63.1-45.1175-71.8-174.7174.800111.3Y308 D419 Y425 S426 F427Y308-E423 PolarHBondContact OH-OE2 2.99Å; D419-E423 PolarHBondContact O-N 3.47Å; E423-Y425 VanDerWaalsContact C-N 3.3Å; E423-Y425 PolarHBondContact O-N 3Å; E423-S426 PolarHBondContact O-N 2.69Å; E423-S426 VanDerWaalsContact O-N 3.14Å; E423-S426 PolarHBondContact O-OG 3.46Å; E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 WeakPolarHBondContact O-CE2 3.3Å
424L87.6Confident82Confident0 Ų059.8 Ų59.80%033%0.328CS..Hα-helixtrans-68.6-30.8179.3-64.6166.8000112.1Y308 L311 V347 L351 I420 Y421 S426 F427 F428 L432Y308-L424 HydrophobicContact CD2-CD1 4.33Å; Y308-L424 HydrophobicContact CD2-CD2 4.12Å; Y308-L424 HydrophobicContact CD2-CG 4.45Å; Y308-L424 HydrophobicContact CE2-CD1 4.18Å; Y308-L424 HydrophobicContact CE2-CD2 4.18Å; Y308-L424 HydrophobicContact CE2-CG 4.12Å; L311-L424 HydrophobicContact CD2-CD2 3.36Å; V347-L424 HydrophobicContact CG1-CB 4.28Å; V347-L424 HydrophobicContact CG1-CD1 3.87Å; V347-L424 HydrophobicContact CG1-CD2 4.25Å; V347-L424 HydrophobicContact CG1-CG 4.36Å; V347-L424 HydrophobicContact CG2-CD2 4.07Å; L351-L424 HydrophobicContact CD1-CD1 4.33Å; L351-L424 HydrophobicContact CD2-CD1 4.32Å; L351-L424 HydrophobicContact CG-CD1 4.34Å; I420-L424 HydrophobicContact CG2-CD1 3.56Å; I420-L424 HydrophobicContact CG2-CG 4.47Å; I420-L424 WeakPolarHBondContact O-CB 3.21Å; I420-L424 WeakPolarHBondContact O-CD1 3.49Å; I420-L424 WeakPolarHBondContact O-CG 3.31Å; I420-L424 PolarHBondContact O-N 2.95Å; Y421-L424 PolarHBondContact O-N 3.12Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 2.87Å; L424-F427 PolarHBondContact O-N 3.38Å; L424-F428 HydrophobicContact CB-CD2 4.39Å; L424-F428 HydrophobicContact CD2-CE2 4.04Å; L424-F428 WeakPolarHBondContact O-CD2 3.12Å; L424-F428 PolarHBondContact O-N 3.21Å; L424-L432 HydrophobicContact CB-CD2 3.98Å
425Y87.3Confident83.2Confident88 Ų8861.2 Ų61.235%0.34532%0.317SS..Hα-helixtrans-64.7-35171.8-162.4-78.5000112.2Y421 R422 E423 F427 G429 D430 A433Y421-Y425 AromaticContact CE1-CD2 3.84Å; Y421-Y425 HydrophobicContact CE1-CD2 3.84Å; Y421-Y425 AromaticContact CZ-CD2 3.91Å; Y421-Y425 VanDerWaalsContact O-CB 3.29Å; Y421-Y425 WeakPolarHBondContact O-CB 3.33Å; Y421-Y425 PolarHBondContact O-N 2.92Å; R422-Y425 PolarHBondContact O-N 3.23Å; E423-Y425 VanDerWaalsContact C-N 3.3Å; E423-Y425 PolarHBondContact O-N 3Å; Y425-F427 VanDerWaalsContact C-N 3.26Å; Y425-F427 PolarHBondContact O-N 2.94Å; Y425-G429 VanDerWaalsContact O-CA 3.29Å; Y425-G429 WeakPolarHBondContact O-CA 3.27Å; Y425-G429 PolarHBondContact O-N 2.96Å; Y425-D430 PolarHBondContact OH-OD1 2.99Å; Y425-A433 HydrophobicContact CE2-CB 4.06Å
426S87.1Confident83.4Confident91 Ų9160.6 Ų60.664%0.63631%0.311SS*.Hα-helixtrans-66.9-28.9179.879.60000112.8R422 E423 L424R422-S426 PolarHBondContact O-N 3.04Å; R422-S426 VanDerWaalsContact O-N 3.15Å; E423-S426 PolarHBondContact O-N 2.69Å; E423-S426 VanDerWaalsContact O-N 3.14Å; E423-S426 PolarHBondContact O-OG 3.46Å; L424-S426 VanDerWaalsContact C-N 3.33Å; L424-S426 PolarHBondContact O-N 2.87Å
427F85.7Confident82.3Confident45 Ų4559.8 Ų59.820%0.19732%0.317CS..Hα-helixtrans-83.1-45.8173.7-54.6-57.4000112.9L311 P312 W315 E423 L424 Y425L311-F427 HydrophobicContact CD2-CD2 3.96Å; L311-F427 HydrophobicContact CD2-CE2 4.32Å; P312-F427 HydrophobicContact CB-CE1 4.49Å; P312-F427 HydrophobicContact CB-CZ 4.02Å; P312-F427 HydrophobicContact CG-CZ 4Å; W315-F427 HydrophobicContact CB-CD1 4.11Å; W315-F427 HydrophobicContact CB-CE1 4.46Å; W315-F427 AromaticContact CD1-CD1 3.54Å; W315-F427 HydrophobicContact CD2-CB 3.97Å; W315-F427 HydrophobicContact CD2-CD1 4.21Å; W315-F427 HydrophobicContact CD2-CG 4.42Å; W315-F427 HydrophobicContact CE3-CB 4.26Å; W315-F427 HydrophobicContact CG-CB 4.28Å; W315-F427 AromaticContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CD1 3.63Å; W315-F427 HydrophobicContact CG-CE1 4.35Å; W315-F427 HydrophobicContact CG-CG 4.21Å; W315-F427 VanDerWaalsContact CH2-O 3.32Å; W315-F427 WeakPolarHBondContact CH2-O 3.44Å; W315-F427 WeakPolarHBondContact CZ2-O 3.39Å; E423-F427 WeakPolarHBondContact O-CD2 3.43Å; E423-F427 WeakPolarHBondContact O-CE2 3.3Å; L424-F427 PolarHBondContact O-N 3.38Å; Y425-F427 VanDerWaalsContact C-N 3.26Å; Y425-F427 PolarHBondContact O-N 2.94Å
428F86.1Confident80.8Confident6 Ų661.5 Ų61.53%0.02633%0.33CS..Hα-helixtrans-101.3-18-168-62.3-62.7000115.3L311 W315 Y340 I343 L344 V347 L424 S431 L432L311-F428 HydrophobicContact CD1-CZ 4.29Å; L311-F428 HydrophobicContact CD2-CE2 3.92Å; L311-F428 HydrophobicContact CD2-CZ 4.11Å; W315-F428 HydrophobicContact CE3-CE1 4.07Å; W315-F428 HydrophobicContact CE3-CZ 4.47Å; W315-F428 HydrophobicContact CZ3-CD1 4.04Å; W315-F428 AromaticContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CE1 3.67Å; W315-F428 HydrophobicContact CZ3-CZ 4.5Å; Y340-F428 HydrophobicContact CD2-CD1 4.43Å; Y340-F428 HydrophobicContact CD2-CE1 4.32Å; Y340-F428 AromaticContact CE2-CD1 3.66Å; Y340-F428 HydrophobicContact CE2-CD1 3.66Å; Y340-F428 AromaticContact CE2-CE1 3.99Å; Y340-F428 HydrophobicContact CE2-CE1 3.99Å; I343-F428 HydrophobicContact CG2-CE1 3.91Å; I343-F428 HydrophobicContact CG2-CE2 4.39Å; I343-F428 HydrophobicContact CG2-CZ 3.43Å; I343-F428 VanDerWaalsContact CG2-CZ 3.43Å; L344-F428 HydrophobicContact CD2-CB 3.78Å; L344-F428 HydrophobicContact CD2-CD1 3.44Å; L344-F428 VanDerWaalsContact CD2-CD1 3.44Å; L344-F428 HydrophobicContact CD2-CD2 4.33Å; L344-F428 HydrophobicContact CD2-CE1 4.18Å; L344-F428 HydrophobicContact CD2-CG 3.57Å; L344-F428 HydrophobicContact CG-CD1 4.07Å; L344-F428 HydrophobicContact CG-CE1 4.47Å; V347-F428 HydrophobicContact CG1-CD2 4.4Å; V347-F428 HydrophobicContact CG1-CE2 4.34Å; V347-F428 HydrophobicContact CG2-CE2 4Å; V347-F428 HydrophobicContact CG2-CZ 4.48Å; L424-F428 HydrophobicContact CB-CD2 4.39Å; L424-F428 HydrophobicContact CD2-CE2 4.04Å; L424-F428 WeakPolarHBondContact O-CD2 3.12Å; L424-F428 PolarHBondContact O-N 3.21Å; F428-S431 VanDerWaalsContact O-CB 3.32Å; F428-S431 WeakPolarHBondContact O-CB 3.39Å; F428-S431 PolarHBondContact O-N 2.81Å; F428-L432 HydrophobicContact CB-CB 3.84Å
429G85.8Confident78.9Confident22 Ų2260.5 Ų60.523%0.22733%0.325CS..THydrogen-bonded Turntrans50.5-137-178.800000113.8Y425 S431 L432 A433Y425-G429 VanDerWaalsContact O-CA 3.29Å; Y425-G429 WeakPolarHBondContact O-CA 3.27Å; Y425-G429 PolarHBondContact O-N 2.96Å; G429-S431 PolarHBondContact O-N 3.26Å; G429-L432 WeakPolarHBondContact O-CB 3.49Å; G429-L432 PolarHBondContact O-N 2.87Å; G429-A433 PolarHBondContact O-N 2.72Å
430D82.8Confident76.4Confident109 Ų10965.4 Ų65.458%0.58335%0.346SS*.Hα-helixtrans-65.6-20.4-175-58.3-13.5000113.2Y425 L432 A433 T434Y425-D430 PolarHBondContact OH-OD1 2.99Å; D430-L432 PolarHBondContact O-N 2.95Å; D430-A433 PolarHBondContact O-N 2.9Å; D430-T434 WeakPolarHBondContact O-CB 3.5Å; D430-T434 WeakPolarHBondContact O-CG2 3.3Å; D430-T434 PolarHBondContact O-N 3.48Å; D430-T434 PolarHBondContact O-OG1 3.37Å
431S84.3Confident74.1Confident48 Ų4870.3 Ų70.334%0.33638%0.378SS..Hα-helixtrans-63.3-24.5171.2-58.10000112.8Y340 F428 G429 T434 R435Y340-S431 WeakPolarHBondContact OH-CB 3.47Å; Y340-S431 PolarHBondContact OH-OG 2.71Å; Y340-S431 VanDerWaalsContact OH-OG 3.07Å; F428-S431 VanDerWaalsContact O-CB 3.32Å; F428-S431 WeakPolarHBondContact O-CB 3.39Å; F428-S431 PolarHBondContact O-N 2.81Å; G429-S431 PolarHBondContact O-N 3.26Å; S431-T434 PolarHBondContact O-OG1 2.83Å; S431-R435 WeakPolarHBondContact O-CG 3.34Å
432L84.8Confident71.4Confident0 Ų071.5 Ų71.50%040%0.401CS..Hα-helixtrans-83.9-47.3170.1-170.664.5000110.5V347 L351 Y421 L424 F428 G429 D430 T434 R435 F436V347-L432 HydrophobicContact CG1-CD1 3.79Å; L351-L432 HydrophobicContact CD1-CD1 4.12Å; L351-L432 HydrophobicContact CD1-CD2 4.19Å; Y421-L432 HydrophobicContact CD2-CD2 4.39Å; Y421-L432 HydrophobicContact CE2-CD2 4.1Å; Y421-L432 HydrophobicContact CE2-CG 4.38Å; L424-L432 HydrophobicContact CB-CD2 3.98Å; F428-L432 HydrophobicContact CB-CB 3.84Å; G429-L432 WeakPolarHBondContact O-CB 3.49Å; G429-L432 PolarHBondContact O-N 2.87Å; D430-L432 PolarHBondContact O-N 2.95Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.64Å; L432-R435 WeakPolarHBondContact O-CB 3.47Å; L432-R435 PolarHBondContact O-N 2.73Å; L432-F436 HydrophobicContact CD1-CE2 3.9Å; L432-F436 HydrophobicContact CG-CD2 4.48Å; L432-F436 HydrophobicContact CG-CE2 4.27Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å
433A78.8Confident68.9Low4 Ų468.9 Ų68.93%0.03341%0.407CS..Hα-helixtrans-53.7-44.9-179.700000113.2Y425 G429 D430 R435 F436 G437 T438Y425-A433 HydrophobicContact CE2-CB 4.06Å; G429-A433 PolarHBondContact O-N 2.72Å; D430-A433 PolarHBondContact O-N 2.9Å; A433-R435 PolarHBondContact O-N 3Å; A433-F436 CarbonylContact O-C 3.58Å; A433-F436 PolarHBondContact O-N 3.35Å; A433-G437 PolarHBondContact O-N 2.86Å; A433-G437 VanDerWaalsContact O-N 3.12Å; A433-T438 WeakPolarHBondContact CA-OG1 3.43Å; A433-T438 WeakPolarHBondContact CB-OG1 3.42Å; A433-T438 PolarHBondContact O-N 2.84Å; A433-T438 PolarHBondContact O-OG1 2.98Å; A433-T438 VanDerWaalsContact O-OG1 3.09Å
434T79.4Confident66.3Low75 Ų7571.3 Ų71.346%0.4643%0.428SS..G310 helixtrans-60.2-29.6178.747.40000113.4D430 S431 L432 F436 G437D430-T434 WeakPolarHBondContact O-CB 3.5Å; D430-T434 WeakPolarHBondContact O-CG2 3.3Å; D430-T434 PolarHBondContact O-N 3.48Å; D430-T434 PolarHBondContact O-OG1 3.37Å; S431-T434 PolarHBondContact O-OG1 2.83Å; L432-T434 VanDerWaalsContact C-N 3.32Å; L432-T434 PolarHBondContact O-N 2.64Å; T434-F436 VanDerWaalsContact C-N 3.3Å; T434-F436 PolarHBondContact O-N 2.99Å; T434-G437 PolarHBondContact O-N 3.45Å
435R76.4Confident63.7Low135 Ų13575.4 Ų75.451%0.50946%0.462SS..G310 helixtrans-74.8-16.8175.5-58.6-63-178.2-151.4-2.1114.2E348 S431 L432 A433E348-R435 HydrophobicContact CG-CB 4.04Å; E348-R435 WeakPolarHBondContact OE2-CB 3.4Å; E348-R435 WeakPolarHBondContact OE2-CD 3.33Å; E348-R435 WeakPolarHBondContact OE2-CG 3.25Å; S431-R435 WeakPolarHBondContact O-CG 3.34Å; L432-R435 WeakPolarHBondContact O-CB 3.47Å; L432-R435 PolarHBondContact O-N 2.73Å; A433-R435 PolarHBondContact O-N 3Å
436F70.8Confident61.1Low70 Ų7077.3 Ų77.331%0.30749%0.485SS..G310 helixtrans-1084.5175.9-67.3-82.8000113.1E348 L351 K352 Y421 L432 A433 T434 T438E348-F436 HydrophobicContact CB-CZ 4.5Å; E348-F436 HydrophobicContact CG-CE2 4.12Å; E348-F436 HydrophobicContact CG-CZ 3.91Å; L351-F436 HydrophobicContact CB-CE1 4.38Å; L351-F436 HydrophobicContact CB-CZ 3.75Å; L351-F436 HydrophobicContact CD1-CE2 4Å; L351-F436 HydrophobicContact CD1-CZ 4.01Å; K352-F436 HydrophobicContact CD-CE1 4.3Å; K352-F436 HydrophobicContact CG-CE1 3.61Å; K352-F436 HydrophobicContact CG-CZ 4.12Å; Y421-F436 HydrophobicContact CE2-CD2 4.44Å; L432-F436 HydrophobicContact CD1-CE2 3.9Å; L432-F436 HydrophobicContact CG-CD2 4.48Å; L432-F436 HydrophobicContact CG-CE2 4.27Å; L432-F436 WeakPolarHBondContact O-CD2 3.43Å; A433-F436 CarbonylContact O-C 3.58Å; A433-F436 PolarHBondContact O-N 3.35Å; T434-F436 VanDerWaalsContact C-N 3.3Å; T434-F436 PolarHBondContact O-N 2.99Å; F436-T438 VanDerWaalsContact C-N 3.29Å; F436-T438 PolarHBondContact O-N 2.84Å
437G57Low58.7Low55 Ų5584.2 Ų84.257%0.56750%0.498SS*.THydrogen-bonded Turntrans78.63.6176.900000115.3A433 T434 G439A433-G437 PolarHBondContact O-N 2.86Å; A433-G437 VanDerWaalsContact O-N 3.12Å; T434-G437 PolarHBondContact O-N 3.45Å; G437-G439 VanDerWaalsContact C-N 3.3Å
438T50.2Low56.3Low97 Ų9787.5 Ų87.560%0.59552%0.523SS*.  trans-80.9-10.3177.449.30000113.3A433 F436 Q440A433-T438 WeakPolarHBondContact CA-OG1 3.43Å; A433-T438 WeakPolarHBondContact CB-OG1 3.42Å; A433-T438 PolarHBondContact O-N 2.84Å; A433-T438 PolarHBondContact O-OG1 2.98Å; A433-T438 VanDerWaalsContact O-OG1 3.09Å; F436-T438 VanDerWaalsContact C-N 3.29Å; F436-T438 PolarHBondContact O-N 2.84Å; T438-Q440 PolarHBondContact O-N 3.05Å
439G42.8Very low53.9Low32 Ų3293.7 Ų93.733%0.3356%0.564SS.*  trans-91.933.8179.400000116G437G437-G439 VanDerWaalsContact C-N 3.3Å
440Q32.8Very low51.2Low160 Ų16095.9 Ų95.975%0.74859%0.587SS**PPolyproline II helixtrans-81.5124.3162.5-81.2-78.7-47.900108.2T438 A442T438-Q440 PolarHBondContact O-N 3.05Å; Q440-A442 PolarHBondContact O-N 2.93Å
441P36.6Very low48.6Very low109 Ų10998.8 Ų98.871%0.70860%0.603SS**PPolyproline II helixtrans-60.6129.616827.2-32.4000107.8
442A29.3Very low46.1Very low87 Ų87106.1 Ų106.172%0.71963%0.628SS**PPolyproline II helixtrans-54132.6-175.200000110.5Q440 T444Q440-A442 PolarHBondContact O-N 2.93Å; A442-T444 PolarHBondContact O-N 3.1Å; A442-T444 VanDerWaalsContact O-N 3.13Å
443P33.7Very low43.3Very low125 Ų125116 Ų11681%0.81267%0.671SS**PPolyproline II helixtrans-58.2124.8172.325.4-32.8000107.7A445P443-A445 PolarHBondContact O-N 3.17Å; P443-A445 VanDerWaalsContact O-N 3.09Å
444T33.8Very low40.8Very low139 Ų139124 Ų12485%0.85371%0.708SS**PPolyproline II helixtrans-54.9117.2-175.428.90000110.2A442A442-T444 PolarHBondContact O-N 3.1Å; A442-T444 VanDerWaalsContact O-N 3.13Å
445A31.4Very low38.8Very low86 Ų86126 Ų12671%0.71172%0.722SS**PPolyproline II helixtrans-56.8136.3177.800000110P443 R447P443-A445 PolarHBondContact O-N 3.17Å; P443-A445 VanDerWaalsContact O-N 3.09Å; A445-R447 PolarHBondContact O-N 3.44Å
446P34Very low36.3Very low129 Ų129123.2 Ų123.284%0.83873%0.728SS**PPolyproline II helixtrans-66.4128.6-176.126.8-33.8000110.3
447R35.6Very low34.2Very low236 Ų236124.9 Ų124.989%0.89176%0.755SS**PPolyproline II helixtrans-70.2145.2168.8-73.2-176.5175-178.2-1.5110A445A445-R447 PolarHBondContact O-N 3.44Å
448P35.3Very low32.7Very low114 Ų114126.8 Ų126.874%0.7477%0.765SS**PPolyproline II helixtrans-69.9159.2175.131-35.4000111.7
449P35.9Very low32.1Very low135 Ų135127.4 Ų127.488%0.87777%0.771SS**PPolyproline II helixtrans-86.6151-176.334.8-35000113.4
450G28.6Very low31.3Very low69 Ų69133 Ų13371%0.71179%0.794SS**  trans104.9132-179.300000111.7
451D28.5Very low31.2Very low170 Ų170131.3 Ų131.391%0.90980%0.799SS**  cis-141.1164.513.4-110.4-47.6000114.3
452K31.5Very low30.8Very low202 Ų202131.3 Ų131.388%0.87880%0.797SS**  trans-72.2126.2-176.3-65.1170.2177.3173.90112.7
453K27.1Very low31.1Very low206 Ų206139.2 Ų139.290%0.89681%0.808SS**  trans-157.7107.3145.7-146.4165.1-176177.40113.4
454E26.1Very low30.9Very low172 Ų172142.4 Ų142.480%0.80481%0.809SS**  trans-72.9156.6154.4-123.7-166.3120.800108.8
455P37.3Very low30.6Very low117 Ų117142.5 Ų142.576%0.7680%0.802SS**  -151.6162.666.741-21.4000118.7
456A24.8Very low30.7Very low78 Ų78144.1 Ų144.165%0.64581%0.805SS**  trans67.9121.5134.700000123.6
457A25.4Very low30.5Very low105 Ų105144.9 Ų144.987%0.86880%0.797SS**  78.3140.4129.200000121.7
458A25.3Very low30.1Very low95 Ų95141.9 Ų141.979%0.78580%0.798SS**  trans-92.1-169.3-177.800000111
459P38.4Very low29.8Very low110 Ų110142.6 Ų142.671%0.71480%0.801SS**  cis-144.1169.329.542-20.9000119.5
460D25.4Very low29.5Very low150 Ų150140.6 Ų140.680%0.80280%0.796SS**  trans36.2124.8144.2-61.9-35.2000123.4
461S31.3Very low29.4Very low123 Ų123143.1 Ų143.186%0.8680%0.802SS**  trans-145.896.8133.575.90000113.6
462V29Very low29.3Very low109 Ų109139.6 Ų139.666%0.66180%0.797SS**  trans-31.8135.61631740000115.7
463R35.1Very low29.1Very low253 Ų253136.6 Ų136.696%0.95580%0.795SS**  -156.1137.6129.7-107.1159.5-158-160.14.8113.3
464K29.1Very low29.1Very low192 Ų192132.7 Ų132.784%0.83579%0.788SS**  trans-80.5150.4-159.2-65.5170.2173.3176.20114.2
465M28.1Very low29.2Very low141 Ų141129.6 Ų129.670%0.69579%0.786SS**  trans-69.8172.7156.2-147.7126.882.700110.7Q467M465-Q467 HydrophobicContact CE-CG 3.87Å
466P32.8Very low29.2Very low121 Ų121130.1 Ų130.179%0.78679%0.789SS**  -131.9137.711434.9-26.9000113.9
467Q29.5Very low29.4Very low144 Ų144135.7 Ų135.767%0.67380%0.802SS**  trans-71.4147.9162.1-73.6-86-4.700109.5M465M465-Q467 HydrophobicContact CE-CG 3.87Å
468L28.4Very low29.4Very low174 Ų174134 Ų13491%0.91180%0.795SS**  trans-113.3119.2163.1-81.7168.7000108.7
469T28.8Very low29.4Very low129 Ų129137.1 Ų137.179%0.79180%0.798SS**  trans-116.6152176.3-33.30000109.5
470A29.8Very low28.6Very low93 Ų93141 Ų14177%0.76981%0.807SS**  trans-67.8163.8-168.500000115.3
471S25.8Very low28.7Very low121 Ų121139.1 Ų139.185%0.84681%0.805SS**  trans-138.1122.6157.3-72.80000110.4
472A26.9Very low29.2Very low97 Ų97138.7 Ų138.780%0.80280%0.799SS**  trans-98.4148.5161.300000108.7
473V26.7Very low29Very low139 Ų139139.7 Ų139.784%0.84281%0.81SS**  trans-133.9141.3171.7179.80000108.9
474V26.7Very low28.5Very low124 Ų124131.5 Ų131.575%0.75281%0.805SS**  trans-131.2157.4-174.4160.40000108.7
475S28.1Very low28.3Very low107 Ų107126 Ų12675%0.74880%0.802SS**  trans78.5157.2166.6-820000117.3
476P38.6Very low28.2Very low128 Ų128125.3 Ų125.383%0.83181%0.806SS**  cis-126.6178.620.641.1-25.1000118
477Q27.8Very low27.9Very low195 Ų195127.4 Ų127.491%0.91181%0.81SS**  trans-100.2150.1178-177.1179.26.600110
478G25Very low27.8Very low70 Ų70124.3 Ų124.372%0.72281%0.809SS**  trans-170.8148.8176.700000112.5
479D25.1Very low27.7Very low160 Ų160122 Ų12286%0.85680%0.802SS**  trans-92.4-180-161.3-78.7-63.8000116.8
480E23.6Very low27.5Very low191 Ų191120.2 Ų120.289%0.89380%0.8SS**  trans97.1132.8156.6-62.8-167.1101.100121.1
481S27Very low27.4Very low111 Ų111122.1 Ų122.178%0.77680%0.802SS**  trans-98.6-175.3166-590000108.4
482P41.3Very low27.4Very low113 Ų113120.6 Ų120.673%0.73480%0.797SS**  cis-148-166.115.439.2-14.7000117.5
483C24Very low27.4Very low130 Ų130120.7 Ų120.788%0.87880%0.798SS**  trans99.6134.7150.4-73.30000122.6
484G25.3Very low27.3Very low82 Ų82119 Ų11985%0.84579%0.792SS**  trans101.4100.2172.400000113.2
485G24Very low27.2Very low76 Ų76121.6 Ų121.678%0.78480%0.796SS**  91116.153.700000108.3
486T26Very low27Very low127 Ų127122.5 Ų122.578%0.77980%0.802SS**  cis-162.415043.141.70000114.2
487L26.6Very low26.6Very low164 Ų164127.8 Ų127.886%0.85981%0.806SS**  trans45.9138.9139.3-64.1158.1000120.7
488A27.7Very low26.8Very low79 Ų79124.5 Ų124.565%0.65380%0.801SS**  cis-155151.723.600000115.3
489T26.2Very low27.1Very low127 Ų127128.9 Ų128.978%0.77981%0.808SS**  trans30.9114.6146.756.40000120.2
490A25.9Very low27.5Very low90 Ų90127.1 Ų127.174%0.74481%0.805SS**  70.2137.969.400000113.6
491T27.1Very low27.5Very low133 Ų133129.1 Ų129.182%0.81680%0.804SS**  cis-152.6155.537.842.60000115.8
492A26.5Very low27.6Very low90 Ų90129.5 Ų129.574%0.74480%0.802SS**  trans40.9130148.200000121.8
493A26Very low26.9Very low98 Ų98133.6 Ų133.681%0.8181%0.81SS**  66.7140.352.800000113.3
494S25.1Very low27Very low103 Ų103138.9 Ų138.972%0.7281%0.812SS**  cis-161.8159.64.744.70000111.9
495E24.3Very low27Very low180 Ų180140 Ų14084%0.84181%0.813SS**  trans24.4129.8147.9-56.2-174.9134.300122.4
496S24.5Very low27.2Very low125 Ų125148.6 Ų148.687%0.87482%0.822SS**  163.3151.3106.653.20000114.7
497R29.5Very low27.1Very low239 Ų239146.4 Ų146.490%0.90283%0.825SS**  trans-79.7157.2171.7-102.1174.7171.2174.3-2.2110.2
498P32.3Very low27.2Very low126 Ų126143.1 Ų143.182%0.81882%0.822SS**  -155-171.264.140.1-17000118
499L31.3Very low27.5Very low163 Ų163145.8 Ų145.885%0.85383%0.832SS**  trans-72163.2176.7-60.4162.6000112.9
500P32.8Very low27.6Very low123 Ų123151 Ų15180%0.79984%0.838SS**  -154.3158.397.838.6-19.8000119.7
501R25Very low27.7Very low233 Ų233154.5 Ų154.588%0.87984%0.838SS**  trans21.7124.9146.4-76.3178161.9149.9-5.1124.3
502V27.6Very low27.7Very low119 Ų119156.5 Ų156.572%0.72184%0.838SS**  46.4121.9118.2-1770000120.1
503H26.9Very low27.8Very low198 Ų198155.9 Ų155.992%0.91784%0.841SS**  -154.5159.6127.7-107.3-74.8000112.7
504R25.7Very low28.2Very low241 Ų241157.9 Ų157.991%0.90985%0.845SS**  trans-118.2132.6-168-177-171.8-164.6172.65.8109.9
505A26.8Very low28.1Very low106 Ų106157 Ų15788%0.87685%0.852SS**  trans-132.2161.2170.400000111.5
506R26.3Very low28.4Very low256 Ų256153.5 Ų153.597%0.96685%0.854SS**  trans-131.7125.8-156.5-175.5-170.7-165.3-1794.4109.5
507G25.6Very low28.5Very low82 Ų82151 Ų15185%0.84585%0.849SS**  trans-177.7118.1175.100000112.7
508A28.8Very low28.4Very low95 Ų95146.7 Ų146.779%0.78585%0.849SS**  trans-115.1155164.100000107.8
509P34.1Very low28.2Very low134 Ų134151.1 Ų151.187%0.8785%0.85SS**  -136.6173.8103.434.5-21.5000114.9
510R26.4Very low28Very low238 Ų238149 Ų14990%0.89884%0.839SS**  trans-69.8149-177-68.7162.3151.3163.6-9.9113
511Q28.5Very low27.7Very low163 Ų163149.7 Ų149.776%0.76284%0.841SS**  -169.6128.4102.8-96.9-173.732.600113.3
512Q28.3Very low27.8Very low175 Ų175147.5 Ų147.582%0.81884%0.838SS**  trans62.3137.8140.6-54.7-175.820.400120.7
513G26.8Very low27.8Very low77 Ų77150.9 Ų150.979%0.79485%0.846SS**  trans-106.9-140.7-170.200000113.9
514P34.4Very low27.9Very low139 Ų139150.5 Ų150.590%0.90384%0.842SS**  cis-124.7160.84.440.4-26.1000115.1
515G24.8Very low27.9Very low84 Ų84144.1 Ų144.187%0.86683%0.834SS**  trans-175.692.4172.400000113.4
516A29.8Very low28.3Very low107 Ų107150.7 Ų150.788%0.88484%0.836SS**  trans-112.2139.316800000108.8
517G27.4Very low28.4Very low74 Ų74148.1 Ų148.176%0.76383%0.832SS**  cis127.261.31100000109.9
518T25.8Very low29Very low148 Ų148148.8 Ų148.891%0.90883%0.83SS**  trans-88.5118.1-177.4-23.80000109.8
519R28.6Very low29.2Very low219 Ų219150.2 Ų150.283%0.82683%0.831SS**  trans-137.3135.3166.5-107.5-170130.9140.86.2111.4
520D28.2Very low29.1Very low118 Ų118154.6 Ų154.663%0.63183%0.83SS**  trans44.7124.8143-50.4-32.7000119.6
521V26.3Very low29.5Very low137 Ų137146.8 Ų146.883%0.8382%0.823SS**  178131.6100.3154.30000110
522F27.1Very low29.5Very low187 Ų187142.4 Ų142.482%0.8282%0.815SS**  trans-71.9148167.8-94.4-98.1000111.6
523Q27.3Very low29.6Very low190 Ų190139.4 Ų139.489%0.88881%0.811SS**  trans-138.7125.1144.3-150.5169.814.700111.2
524K28.4Very low29.7Very low191 Ų191143.9 Ų143.983%0.8381%0.811SS**  trans-76.1141.2-177-63.3171.6178.6174.80110.3
525S26.5Very low29.5Very low107 Ų107145.4 Ų145.475%0.74880%0.803SS**  trans-126.2120.2159.651.60000109.7
526R35.5Very low29.7Very low244 Ų244151.2 Ų151.292%0.92180%0.799SS**  trans-79.9124.4175-62.9-179.3-177.3-1750.7108.7
527F28Very low29.8Very low201 Ų201154.3 Ų154.388%0.88279%0.793SS**  trans-145.3124.8162-94.7-79.4000110.1
528A36.9Very low29.9Very low96 Ų96158.3 Ų158.379%0.79380%0.795SS**  trans-115.2124.1171.200000108.5
529P34.3Very low30.4Very low125 Ų125158.4 Ų158.481%0.81279%0.789SS**  trans-90.4123.517332.1-28.4000111
530R31.8Very low30.6Very low227 Ų227152.4 Ų152.486%0.85779%0.786SS**  trans-80127.1154.4-71.5-178.4171.8-164.9-1.5107.5
531G34Very low30.9Very low73 Ų73150 Ų15075%0.75379%0.788SS**SBendtrans134.3168.6170.200000115.9
532A29.7Very low31.3Very low72 Ų72155.5 Ų155.560%0.59579%0.794SS**SBendtrans-59.8150.8-177.400000113.4H534A532-H534 PolarHBondContact O-N 3.07Å; A532-H534 PolarHBondContact O-ND1 3.46Å
533P29.6Very low31.8Very low111 Ų111155 Ų15572%0.72179%0.794SS**  trans-66.5101.7-16726.4-35.5000113.1F535P533-F535 HydrophobicContact CB-CE2 4.38Å
534H28.4Very low32.3Very low171 Ų171150.5 Ų150.579%0.79279%0.79SS**  trans-92.7101.6169.2-74.767.1000109.6A532 R536A532-H534 PolarHBondContact O-N 3.07Å; A532-H534 PolarHBondContact O-ND1 3.46Å; H534-R536 PolarHBondContact O-N 2.9Å
535F31.5Very low33.1Very low171 Ų171145.4 Ų145.475%0.7579%0.792SS**  trans-67.8114.9173.6-67.7-78.5000110.5P533 F537P533-F535 HydrophobicContact CB-CE2 4.38Å; F535-F537 HydrophobicContact CB-CE2 3.98Å; F535-F537 HydrophobicContact CB-CZ 4.27Å
536R28.4Very low33.5Very low207 Ų207151.1 Ų151.178%0.78180%0.797SS**  trans-118.594.3-174.9-143.3176.5-168.2156.14.6109.8H534 I538H534-R536 PolarHBondContact O-N 2.9Å; R536-I538 PolarHBondContact O-N 3.45Å
537F31Very low33.4Very low172 Ų172151.9 Ų151.975%0.75480%0.8SS**  trans-79.7117.9-179.5-61-79.8000111.3F535 I539F535-F537 HydrophobicContact CB-CE2 3.98Å; F535-F537 HydrophobicContact CB-CZ 4.27Å; F537-I539 PolarHBondContact O-N 3.25Å
538I31.1Very low33.9Very low158 Ų158148 Ų14881%0.8180%0.796SS**  trans-8895.7168-57.9177.1000108R536 A540R536-I538 PolarHBondContact O-N 3.45Å; I538-A540 PolarHBondContact O-N 3.18Å; I538-A540 VanDerWaalsContact O-N 3.14Å
539I36.4Very low33.9Very low150 Ų150155.4 Ų155.477%0.76980%0.803SS**  trans-80.992.3170-56.5178.9000108.1F537 G541F537-I539 PolarHBondContact O-N 3.25Å; I539-G541 VanDerWaalsContact C-N 3.32Å; I539-G541 PolarHBondContact O-N 3.37Å
540A31.5Very low33.9Very low93 Ų93153 Ų15377%0.76980%0.801SS**  trans-74.881.6174.800000111I538 R542I538-A540 PolarHBondContact O-N 3.18Å; I538-A540 VanDerWaalsContact O-N 3.14Å; A540-R542 PolarHBondContact O-N 3.13Å
541G35Very low34.1Very low66 Ų66152.4 Ų152.468%0.6880%0.799SS**  trans-69.8120.2171.800000111.9I539 Q543I539-G541 VanDerWaalsContact C-N 3.32Å; I539-G541 PolarHBondContact O-N 3.37Å; G541-Q543 PolarHBondContact O-N 3.22Å; G541-Q543 VanDerWaalsContact O-N 3.14Å
542R34.7Very low34.1Very low254 Ų254155.5 Ų155.596%0.95880%0.798SS**  trans-83.482.6177.7-159.6-173.3-153.6-156.49.1110.6A540A540-R542 PolarHBondContact O-N 3.13Å
543Q36.9Very low34.2Very low175 Ų175161.1 Ų161.182%0.81881%0.809SS**  trans-91.1111.7175.5-153175.616.100111.1G541 G545G541-Q543 PolarHBondContact O-N 3.22Å; G541-Q543 VanDerWaalsContact O-N 3.14Å; Q543-G545 PolarHBondContact O-N 3.02Å; Q543-G545 VanDerWaalsContact O-N 3.11Å
544A38.9Very low34.2Very low96 Ų96164.2 Ų164.279%0.79381%0.814SS**THydrogen-bonded Turntrans27.666.5161.600000118.3R546A544-R546 PolarHBondContact O-N 3.03Å; A544-R546 VanDerWaalsContact O-N 3.17Å
545G44Very low34.3Very low84 Ų84162.3 Ų162.387%0.86681%0.814SS**THydrogen-bonded Turntrans74.57.6149.600000119.4Q543Q543-G545 PolarHBondContact O-N 3.02Å; Q543-G545 VanDerWaalsContact O-N 3.11Å
546R36.3Very low34.1Very low227 Ų227157.7 Ų157.786%0.85781%0.808SS**  trans-127.8138.1171.4-68.5-169.3-176.1-123.32.2113A544A544-R546 PolarHBondContact O-N 3.03Å; A544-R546 VanDerWaalsContact O-N 3.17Å
547R32.5Very low34.3Very low261 Ų261157 Ų15799%0.98581%0.811SS**  trans-78.3117.3174.5-68.5-176.7178.9-172-0.1109.8
548C38.1Very low34.4Very low118 Ų118154.6 Ų154.680%0.79781%0.812SS**  trans-114.6141.7168.6-68.60000109.9G550C548-G550 PolarHBondContact O-N 2.95Å
549R37.8Very low34.4Very low252 Ų252150.8 Ų150.895%0.95181%0.805SS**PPolyproline II helixtrans-65.9123.1170.8-74.4-176.6174.1-177.3-1.8108.7
550G34.9Very low34.2Very low75 Ų75149.7 Ų149.777%0.77381%0.807SS**PPolyproline II helixtrans-63.3138.8-179.900000112C548C548-G550 PolarHBondContact O-N 2.95Å
551R36Very low34.2Very low214 Ų214156 Ų15681%0.80881%0.813SS**PPolyproline II helixtrans-87.1138.8170.1-65.6-173.7-178.8-162.50.6109.5F553R551-F553 PolarHBondContact O-N 3.05Å
552L33Very low34.2Very low139 Ų139156.1 Ų156.173%0.72881%0.814SS**PPolyproline II helixtrans-65.5129.7166.5-89.475000109
553F31.5Very low34.4Very low189 Ų189150 Ų15083%0.82981%0.807SS**PPolyproline II helixtrans-100123.9158.9-78.8-88.4000108.3R551R551-F553 PolarHBondContact O-N 3.05Å
554Q29.6Very low34.2Very low176 Ų176147.4 Ų147.482%0.82281%0.808SS**  trans-91113.5175.5-175.6172.4-1.800108.1
555T30.6Very low34Very low131 Ų131148.4 Ų148.480%0.80481%0.807SS**  trans-102.172.1178.652.10000109.6
556A28.1Very low33.9Very low74 Ų74149.5 Ų149.561%0.61281%0.808SS**  trans-134.3107.2169.300000107.6
557F32.4Very low33.7Very low194 Ų194143.4 Ų143.485%0.85180%0.8SS**  trans-106.9119.7169.8-65.3-78.1000107
558P32.7Very low34Very low120 Ų120141.9 Ų141.978%0.77979%0.794SS**  trans-66140.616928.8-32.4000109.1
559A30.8Very low33.5Very low79 Ų79146.1 Ų146.165%0.65380%0.795SS**  trans-68.8128.9175.400000109.9Y561A559-Y561 PolarHBondContact O-N 3.3Å
560P32.4Very low33.4Very low127 Ų127140.3 Ų140.383%0.82579%0.787SS**  trans-76.2113.1175.329.7-31.8000110.2
561Y31.4Very low33.3Very low225 Ų225144.6 Ų144.688%0.88279%0.787SS**  trans-87126162.9-81.8-89.2000109.6A559A559-Y561 PolarHBondContact O-N 3.3Å
562G34.5Very low33.1Very low68 Ų68143.7 Ų143.770%0.70179%0.789SS**SBendtrans83165.4163.400000117
563P39.4Very low33Very low126 Ų126143.3 Ų143.382%0.81879%0.787SS**  trans-96.7141-169.435.7-33000114.6
564S32.2Very low33.1Very low120 Ų120139 Ų13984%0.83978%0.778SS**  trans70.3157.2163-144.20000116.1
565P36Very low33.1Very low117 Ų117138.7 Ų138.776%0.7678%0.778SS**  cis-118.7177.5-040.3-26.4000114.9S567P565-S567 PolarHBondContact O-N 3.1Å
566A42.7Very low33.3Very low108 Ų108140.8 Ų140.889%0.89378%0.783SS**  trans-62.5124.8178.600000112.9
567S32.1Very low33.4Very low99 Ų99140.3 Ų140.369%0.69279%0.785SS**  trans-149.6110.9162.2-164.50000114.1P565 Y569P565-S567 PolarHBondContact O-N 3.1Å; S567-Y569 PolarHBondContact O-N 3.43Å
568R37.8Very low33.5Very low229 Ų229142.3 Ų142.386%0.86479%0.787SS**  trans2692.6136.7-57.9177.2179.7178.20.5117.4
569Y27.7Very low33.7Very low207 Ų207144.1 Ų144.181%0.81280%0.796SS**  trans-128.684.2147.6-104.8-84000111.8S567 Q571S567-Y569 PolarHBondContact O-N 3.43Å; Y569-Q571 HydrophobicContact CD1-CG 4.29Å; Y569-Q571 PolarHBondContact O-N 3.27Å; Y569-Q571 VanDerWaalsContact O-N 3.15Å
570V35.7Very low33.9Very low130 Ų130143.5 Ų143.579%0.78880%0.798SS**  trans-73.496163.9176.20000108
571Q32.8Very low34Very low165 Ų165149.5 Ų149.577%0.77180%0.804SS**  trans-101111.3162-80.7-166.7-6.100110.3Y569 L573Y569-Q571 HydrophobicContact CD1-CG 4.29Å; Y569-Q571 PolarHBondContact O-N 3.27Å; Y569-Q571 VanDerWaalsContact O-N 3.15Å; Q571-L573 PolarHBondContact O-N 3.35Å
572K31.9Very low34.1Very low195 Ų195144.4 Ų144.485%0.84880%0.798SS**  trans-59.9114179.6-63.9170.9177.9175.20110.4
573L31.5Very low34.3Very low131 Ų131146 Ų14669%0.68681%0.805SS**PPolyproline II helixtrans-71.3141.2157.5-80.3163000108.9W80 Q571 M575W80-L573 HydrophobicContact CH2-CD1 4.02Å; Q571-L573 PolarHBondContact O-N 3.35Å; L573-M575 PolarHBondContact O-N 3.18Å
574P32.3Very low34Very low99 Ų99151.1 Ų151.164%0.64381%0.808SS**PPolyproline II helixtrans-68.9122.5-174.326.9-33.6000111I576P574-I576 PolarHBondContact O-N 3.45Å
575M30.7Very low34Very low168 Ų168157.4 Ų157.483%0.82881%0.813SS**PPolyproline II helixtrans-61.6118.9175.1-68.6167.257.200110.8L573 G577L573-M575 PolarHBondContact O-N 3.18Å; M575-G577 PolarHBondContact O-N 3.2Å
576I35.3Very low33.6Very low176 Ų176163.5 Ų163.590%0.90382%0.821SS**  trans-88.996.6162.5-65.7178.2000107.8P574P574-I576 PolarHBondContact O-N 3.45Å
577G29.4Very low33Very low64 Ų64163.1 Ų163.166%0.6682%0.818SS**  trans54.885.4150.200000119.2M575M575-G577 PolarHBondContact O-N 3.2Å
578R34.6Very low32.8Very low236 Ų236165.3 Ų165.389%0.89182%0.821SS**  trans-137.6115.7130.9-77.8-163.2169.7151.4-2.4110.1G580R578-G580 PolarHBondContact O-N 2.81Å
579T36Very low32.5Very low158 Ų158159.6 Ų159.697%0.96982%0.816SS**  trans-82.1104.5172.243.90000109.6
580G34.7Very low32.5Very low66 Ų66156.1 Ų156.168%0.6881%0.812SS**  trans-145.7109.6169.500000109R578 P582R578-G580 PolarHBondContact O-N 2.81Å; G580-P582 WeakPolarHBondContact O-CD 3.4Å
581R34.5Very low32.2Very low252 Ų252160.9 Ų160.995%0.95182%0.817SS**PPolyproline II helixtrans-77.7126172.3-72179.9173.7-178.9-2.1108.9
582P35Very low32.2Very low119 Ų119157.2 Ų157.277%0.77381%0.81SS**PPolyproline II helixtrans-92.7120.8154.632.6-26000109.1G580G580-P582 WeakPolarHBondContact O-CD 3.4Å
583A37.3Very low32.2Very low101 Ų101156.5 Ų156.584%0.83581%0.814SS**PPolyproline II helixtrans-8311916300000108.5
584R34.6Very low32.1Very low233 Ų233159.4 Ų159.488%0.87982%0.818SS**  trans-135.7117.3160.4-77.9-162.9171.8-149.5-2.1109.7
585R30.6Very low32Very low252 Ų252161.2 Ų161.295%0.95182%0.821SS**  trans-64.1142.3166.3-68.5176.9175.3175-2.6108.3
586W27.8Very low32.8Very low246 Ų246158.3 Ų158.393%0.93282%0.815SS**  trans-78.8139.5163.1-71.88.1000108.9
587A30.6Very low32.7Very low99 Ų99161.2 Ų161.282%0.81883%0.831SS**  trans-116.9119.9157.100000106.1
588L28.8Very low32.9Very low145 Ų145166.1 Ų166.176%0.75984%0.839SS**  trans-74.7143.2167.3-75.5149.4000108.2
589S30Very low32.8Very low110 Ų110162.4 Ų162.477%0.76984%0.837SS**  trans-14192.8159.560.60000107.9
590D28.9Very low32.6Very low133 Ų133162.6 Ų162.671%0.71183%0.829SS**  trans-65129168.7-58.2-67.6000109.4
591Y29.1Very low32.5Very low230 Ų230168.3 Ų168.390%0.90284%0.838SS**  trans-140.6111.5150.1-86-70.8000109.5
592S32.3Very low32.4Very low88 Ų88163.1 Ų163.162%0.61583%0.831SS**  trans-102.5129.7168.4176.40000107.9
593L31.4Very low32.2Very low181 Ų181166 Ų16695%0.94884%0.835SS**  trans-135.1140.9153.6-76.7176000110.7
594Y29.9Very low31.9Very low192 Ų192170.6 Ų170.675%0.75384%0.835SS**  trans-92.7146.3-166-102.9-128.8000112.8
595L30.7Very low31.7Very low136 Ų136165.8 Ų165.871%0.71283%0.831SS**  trans43.8178.3134.9-84.8109.5000120.8
596P46.5Very low31.7Very low107 Ų107158.7 Ų158.770%0.69582%0.821SS**  cis-113.4177.3-12.225.1-2.1000111.8
597L35.1Very low32.1Very low237 Ų237150.7 Ų150.7100%1.24181%0.811SS**  cis-140.2037.2-86160.2000112.1

Retrieved 597 of 597 residues in 1680.2 ms (Link to these results)