G4VRI3_SCHMA Loading...

WAPL domain-containing protein

AlphaFold DB , UniProt , Accession G4VRI3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 536 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.9Low58.1Low221 Ų221126.7 Ų126.7100%1.08974%0.735SS**  0-73.10-64.3-46-160.100113.3N3 L4M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.43Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å
2A56.1Low58Low86 Ų86121 Ų12171%0.71172%0.723SS**G310 helixtrans-45.9-41.4-166.200000116.7L4 A5A2-L4 PolarHBondContact O-N 3.41Å; A2-A5 PolarHBondContact O-N 3.17Å
3N58.4Low58Low148 Ų148124.1 Ų124.179%0.79173%0.733SS**G310 helixtrans-70.3-0.9-173.6-140.9-6.9000115.4M1M1-N3 VanDerWaalsContact C-N 3.3Å; M1-N3 PolarHBondContact O-N 3.43Å
4L56.4Low58.2Low129 Ų129129.1 Ų129.168%0.67573%0.732SS**G310 helixtrans-90-35.7174.9-152.378.7000112.7M1 A2 K7M1-L4 PolarHBondContact O-N 3.36Å; M1-L4 VanDerWaalsContact O-N 3.16Å; A2-L4 PolarHBondContact O-N 3.41Å; L4-K7 PolarHBondContact O-N 3.07Å
5A58.8Low58.5Low79 Ų79129.9 Ų129.965%0.65373%0.732SS**G310 helixtrans-65.7-42.9-173.300000112.4A2 K7 M8A2-A5 PolarHBondContact O-N 3.17Å; A5-K7 PolarHBondContact O-N 3.45Å; A5-M8 PolarHBondContact O-N 3.36Å
6T59.9Low58.5Low107 Ų107125.5 Ų125.566%0.65672%0.724SS**G310 helixtrans-57.7-22.5-179.8-200000113.3
7K58.5Low58.9Low185 Ų185121.4 Ų121.480%0.80472%0.716SS**G310 helixtrans-88.4-13.9-174.4-149.4169.6-173.91760114.1L4 A5L4-K7 PolarHBondContact O-N 3.07Å; A5-K7 PolarHBondContact O-N 3.45Å
8M58.8Low59.1Low145 Ų145125.1 Ų125.171%0.71472%0.715SS**THydrogen-bonded Turntrans-95.1-20.9176.9-65.3-154.5-17700114.1A5 M10 S11A5-M8 PolarHBondContact O-N 3.36Å; M8-M10 VanDerWaalsContact C-N 3.33Å; M8-M10 PolarHBondContact O-N 2.91Å; M8-S11 PolarHBondContact O-OG 3.46Å
9G55.3Low59.7Low66 Ų66122.1 Ų122.168%0.6871%0.707SS**THydrogen-bonded Turntrans-69.6-18.8-175.200000116.3
10M60.2Low59.9Low139 Ų139119.1 Ų119.169%0.68570%0.697SS**THydrogen-bonded Turntrans-91.1-7.7-169.7-64.8-17077.500115.8M8M8-M10 VanDerWaalsContact C-N 3.33Å; M8-M10 PolarHBondContact O-N 2.91Å
11S60.6Low60.3Low89 Ų89116.5 Ų116.562%0.62269%0.69SS**SBendtrans-86.6-34.6-17345.60000114.1M8M8-S11 PolarHBondContact O-OG 3.46Å
12G57.3Low61Low58 Ų58114.3 Ų114.360%0.59867%0.669SS**THydrogen-bonded Turntrans-69.1-40.5-173.200000115.1R14G12-R14 VanDerWaalsContact C-N 3.25Å; G12-R14 PolarHBondContact O-N 2.87Å; G12-R14 VanDerWaalsContact O-N 3.1Å
13L58.2Low61.7Low161 Ų161117.4 Ų117.484%0.84367%0.669SS**Hα-helixtrans-72.3-9.9-164.6-148.374.6000115.3
14R60.4Low62.3Low194 Ų194115.5 Ų115.573%0.73266%0.662SS**Hα-helixtrans-89.1-14-170.3-70.3-174.5176.2-178.60.1115.6G12G12-R14 VanDerWaalsContact C-N 3.25Å; G12-R14 PolarHBondContact O-N 2.87Å; G12-R14 VanDerWaalsContact O-N 3.1Å
15I61.9Low63Low142 Ų142112.6 Ų112.673%0.72865%0.653SS**Hα-helixtrans-88.5-48.9-173.1-59.8179.5000111.2G17 R18I15-G17 PolarHBondContact O-N 3.27Å; I15-R18 PolarHBondContact O-N 2.87Å
16G59.9Low63.9Low59 Ų59116.4 Ų116.461%0.60866%0.655SS**Hα-helixtrans-61.4-46.6-175.600000114.6R18 A19G16-R18 PolarHBondContact O-N 3.42Å; G16-A19 PolarHBondContact O-N 3.21Å
17G63.9Low64.8Low56 Ų56118.7 Ų118.758%0.57766%0.658SS**Hα-helixtrans-62.8-18-174.900000115.4I15I15-G17 PolarHBondContact O-N 3.27Å
18R63.9Low65.6Low188 Ų188112.6 Ų112.671%0.70964%0.642SS**Hα-helixtrans-81.3-16.1-176.7-149.3176.2-169.6-164.51.8113.7I15 G16I15-R18 PolarHBondContact O-N 2.87Å; G16-R18 PolarHBondContact O-N 3.42Å
19A68.8Low66.6Low67 Ų67108.6 Ų108.655%0.55463%0.632SS**Hα-helixtrans-78.1-54.3175.400000111.5G16 A21 R22G16-A19 PolarHBondContact O-N 3.21Å; A19-A21 VanDerWaalsContact C-N 3.34Å; A19-A21 PolarHBondContact O-N 3.25Å; A19-R22 WeakPolarHBondContact O-CB 3.48Å; A19-R22 PolarHBondContact O-N 2.91Å
20A64.9Low68Low62 Ų62112.7 Ų112.751%0.51263%0.631SS.*Hα-helixtrans-56.6-44.6-178.100000112.8R22 Q23 V24A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.12Å; A20-Q23 PolarHBondContact O-N 3.36Å; A20-Q23 VanDerWaalsContact O-N 3.13Å; A20-V24 PolarHBondContact O-N 3Å
21A68.2Low69.2Low65 Ų65111.2 Ų111.254%0.53762%0.623SS.*Hα-helixtrans-58.7-26.2178.600000114A19 S25A19-A21 VanDerWaalsContact C-N 3.34Å; A19-A21 PolarHBondContact O-N 3.25Å; A21-S25 PolarHBondContact O-OG 2.74Å
22R71.3Confident70Confident175 Ų175112.9 Ų112.966%0.6662%0.623SS**Hα-helixtrans-82.2-20.8179.5-78.1178.1156.6-169.3-8.2114.1A19 A20 S25A19-R22 WeakPolarHBondContact O-CB 3.48Å; A19-R22 PolarHBondContact O-N 2.91Å; A20-R22 PolarHBondContact O-N 3.43Å; A20-R22 VanDerWaalsContact O-N 3.12Å; R22-S25 PolarHBondContact O-OG 3.43Å
23Q70.8Confident71.3Confident152 Ų152113 Ų11371%0.7162%0.618SS**Hα-helixtrans-79-45.9173.6-81.4-177.3-33.600111A20 S25 K26A20-Q23 PolarHBondContact O-N 3.36Å; A20-Q23 VanDerWaalsContact O-N 3.13Å; Q23-S25 VanDerWaalsContact C-N 3.35Å; Q23-S25 PolarHBondContact O-N 3.31Å; Q23-K26 PolarHBondContact O-N 2.93Å
24V70.4Confident72.7Confident107 Ų107111.1 Ų111.165%0.64860%0.604SS**Hα-helixtrans-60.7-42.3-178.8-176.80000111.6A20 K26 Q27 A28A20-V24 PolarHBondContact O-N 3Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.05Å; V24-Q27 PolarHBondContact O-N 2.98Å; V24-A28 PolarHBondContact O-N 2.97Å
25S69.8Low73.8Confident68 Ų68107.5 Ų107.548%0.47660%0.595SS.*Hα-helixtrans-64.6-32.9178.962.20000113.7A21 R22 Q23 Q27 A29A21-S25 PolarHBondContact O-OG 2.74Å; R22-S25 PolarHBondContact O-OG 3.43Å; Q23-S25 VanDerWaalsContact C-N 3.35Å; Q23-S25 PolarHBondContact O-N 3.31Å; S25-Q27 VanDerWaalsContact C-N 3.35Å; S25-Q27 PolarHBondContact O-N 3.23Å; S25-A29 PolarHBondContact O-N 3.05Å; S25-A29 VanDerWaalsContact O-N 3.15Å
26K79Confident74.7Confident160 Ų160103.6 Ų103.670%0.69658%0.584SS**Hα-helixtrans-67.8-29.4178.5-82.8-171.1172.6-1700113.6Q23 V24Q23-K26 PolarHBondContact O-N 2.93Å; V24-K26 VanDerWaalsContact C-N 3.33Å; V24-K26 PolarHBondContact O-N 3.05Å
27Q78.8Confident75.9Confident155 Ų155103.8 Ų103.872%0.72458%0.58SS**Hα-helixtrans-77.2-47175.1-74.2-174.4-18.100111.3V24 S25 A29 K30V24-Q27 PolarHBondContact O-N 2.98Å; S25-Q27 VanDerWaalsContact C-N 3.35Å; S25-Q27 PolarHBondContact O-N 3.23Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.34Å; Q27-K30 PolarHBondContact O-N 3.44Å; Q27-K30 VanDerWaalsContact O-N 3.09Å
28A75.6Confident77Confident57 Ų57104.6 Ų104.647%0.47157%0.574SS.*Hα-helixtrans-56.6-41.7178.600000112.9V24 K30 I32V24-A28 PolarHBondContact O-N 2.97Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.29Å; A28-I32 WeakPolarHBondContact O-CG1 3.38Å; A28-I32 PolarHBondContact O-N 3.3Å
29A79.5Confident78Confident60 Ų60100 Ų10050%0.49656%0.56SS.*Hα-helixtrans-63.8-32.8178.100000113.8S25 Q27 A33S25-A29 PolarHBondContact O-N 3.05Å; S25-A29 VanDerWaalsContact O-N 3.15Å; Q27-A29 VanDerWaalsContact C-N 3.3Å; Q27-A29 PolarHBondContact O-N 3.34Å; A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.04Å
30K85.1Confident78.4Confident152 Ų15299.7 Ų99.766%0.66156%0.558SS**Hα-helixtrans-69.4-39.2-178.3-82.2-171.8173.4-171.40112.9Q27 A28 K34Q27-K30 PolarHBondContact O-N 3.44Å; Q27-K30 VanDerWaalsContact O-N 3.09Å; A28-K30 VanDerWaalsContact C-N 3.33Å; A28-K30 PolarHBondContact O-N 3.29Å; K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.15Å
31E83.8Confident79.3Confident109 Ų10999.8 Ų99.851%0.50956%0.558SS.*Hα-helixtrans-72.7-42.3179.4-64-47.7117.700112.1A33 K34 E35E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.12Å; E31-K34 VanDerWaalsContact CD-NZ 3.29Å; E31-K34 PolarHBondContact O-N 3.17Å; E31-K34 WeakPolarHBondContact OE1-CE 3.32Å; E31-K34 IonicContact OE1-NZ 3.74Å; E31-K34 PolarHBondContact OE1-NZ 3.47Å; E31-K34 WeakPolarHBondContact OE2-CD 3.23Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.21Å; E31-K34 VanDerWaalsContact OE2-NZ 3.1Å; E31-E35 PolarHBondContact O-N 3.01Å; E31-E35 VanDerWaalsContact O-N 3.17Å
32I78.6Confident79.9Confident123 Ų123104 Ų10463%0.63156%0.564SS**Hα-helixtrans-59.2-40.5176.6-63.2168.5000110.9A28 E35 A36A28-I32 WeakPolarHBondContact O-CG1 3.38Å; A28-I32 PolarHBondContact O-N 3.3Å; I32-E35 PolarHBondContact O-N 3.03Å; I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 3.08Å; I32-A36 VanDerWaalsContact O-N 3.12Å
33A84Confident80.2Confident61 Ų61102.6 Ų102.650%0.50456%0.563SS.*Hα-helixtrans-63.7-40.2177.300000113.2A29 E31 A37A29-A33 WeakPolarHBondContact O-CB 3.31Å; A29-A33 PolarHBondContact O-N 3.04Å; E31-A33 VanDerWaalsContact C-N 3.28Å; E31-A33 PolarHBondContact O-N 3.12Å; A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.01Å; A33-A37 VanDerWaalsContact O-N 3.11Å
34K87.5Confident80.3Confident122 Ų12298.4 Ų98.453%0.5356%0.555SS.*Hα-helixtrans-61.7-47.2175.5-70.8171.5-176.5169.10111.4K30 E31 A37 T38K30-K34 WeakPolarHBondContact O-CG 3.32Å; K30-K34 PolarHBondContact O-N 3.15Å; E31-K34 VanDerWaalsContact CD-NZ 3.29Å; E31-K34 PolarHBondContact O-N 3.17Å; E31-K34 WeakPolarHBondContact OE1-CE 3.32Å; E31-K34 IonicContact OE1-NZ 3.74Å; E31-K34 PolarHBondContact OE1-NZ 3.47Å; E31-K34 WeakPolarHBondContact OE2-CD 3.23Å; E31-K34 IonicContact OE2-NZ 2.66Å; E31-K34 PolarHBondContact OE2-NZ 3.21Å; E31-K34 VanDerWaalsContact OE2-NZ 3.1Å; K34-A37 PolarHBondContact O-N 3.2Å; K34-T38 WeakPolarHBondContact O-CG2 3.42Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 VanDerWaalsContact O-N 3.15Å
35E84.3Confident80.5Confident117 Ų117101.8 Ų101.855%0.54756%0.561SS.*Hα-helixtrans-64.7-45.9-176.7-152.7-159.4141.700111.1E31 I32 A37 T38 Q39E31-E35 PolarHBondContact O-N 3.01Å; E31-E35 VanDerWaalsContact O-N 3.17Å; I32-E35 PolarHBondContact O-N 3.03Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.06Å; E35-T38 PolarHBondContact O-N 3.37Å; E35-T38 PolarHBondContact O-OG1 3.11Å; E35-Q39 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact OE1-NE2 3.27Å
36A81Confident80.4Confident61 Ų61106.6 Ų106.650%0.50457%0.573SS.*Hα-helixtrans-55.8-45.4176.100000112.5I32 T38 Q39 A40I32-A36 WeakPolarHBondContact O-CB 3.31Å; I32-A36 PolarHBondContact O-N 3.08Å; I32-A36 VanDerWaalsContact O-N 3.12Å; A36-T38 PolarHBondContact O-N 2.91Å; A36-Q39 PolarHBondContact O-N 3.38Å; A36-A40 PolarHBondContact O-N 3.12Å
37A85.4Confident79.8Confident62 Ų62105.3 Ų105.351%0.51257%0.57SS.*Hα-helixtrans-61.3-44.5178.300000112.5A33 K34 E35 Q39 A40 A41A33-A37 WeakPolarHBondContact O-CB 3.46Å; A33-A37 PolarHBondContact O-N 3.01Å; A33-A37 VanDerWaalsContact O-N 3.11Å; K34-A37 PolarHBondContact O-N 3.2Å; E35-A37 VanDerWaalsContact C-N 3.34Å; E35-A37 PolarHBondContact O-N 3.06Å; A37-Q39 PolarHBondContact O-N 3.34Å; A37-A40 PolarHBondContact O-N 3.35Å; A37-A41 PolarHBondContact O-N 2.87Å; A37-A41 VanDerWaalsContact O-N 3.08Å
38T87.4Confident78.9Confident74 Ų74101.3 Ų101.345%0.45456%0.563SS.*Hα-helixtrans-68.5-34.2179.566.70000112.9K34 E35 A36 K42K34-T38 WeakPolarHBondContact O-CG2 3.42Å; K34-T38 PolarHBondContact O-N 3.5Å; K34-T38 VanDerWaalsContact O-N 3.15Å; E35-T38 PolarHBondContact O-N 3.37Å; E35-T38 PolarHBondContact O-OG1 3.11Å; A36-T38 PolarHBondContact O-N 2.91Å; T38-K42 WeakPolarHBondContact O-CG 3.45Å; T38-K42 PolarHBondContact O-N 3.47Å
39Q84.5Confident78.2Confident91 Ų91102.2 Ų102.243%0.42557%0.566SS.*Hα-helixtrans-68.2-38.7173.7-67.9-159.529.800112.2E35 A36 A37 K42 K43E35-Q39 PolarHBondContact O-N 3.46Å; E35-Q39 PolarHBondContact OE1-NE2 3.27Å; A36-Q39 PolarHBondContact O-N 3.38Å; A37-Q39 PolarHBondContact O-N 3.34Å; Q39-K42 PolarHBondContact O-N 2.98Å; Q39-K43 PolarHBondContact O-N 3.17Å
40A77.5Confident77.2Confident61 Ų61107.7 Ų107.750%0.50458%0.578SS.*Hα-helixtrans-62.6-48.4176.200000111.8A36 A37 K42 K43 A44A36-A40 PolarHBondContact O-N 3.12Å; A37-A40 PolarHBondContact O-N 3.35Å; A40-K42 VanDerWaalsContact C-N 3.35Å; A40-K42 PolarHBondContact O-N 2.92Å; A40-K43 PolarHBondContact O-N 3.32Å; A40-K43 VanDerWaalsContact O-N 3.1Å; A40-A44 PolarHBondContact O-N 3.13Å
41A82.9Confident76.1Confident63 Ų63107.9 Ų107.952%0.52158%0.579SS.*Hα-helixtrans-58.4-43.1177.800000112.7A37 K43 A44 K45A37-A41 PolarHBondContact O-N 2.87Å; A37-A41 VanDerWaalsContact O-N 3.08Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.02Å; A41-A44 PolarHBondContact O-N 3.4Å; A41-K45 PolarHBondContact O-N 2.89Å
42K81.6Confident74.8Confident153 Ų153106.2 Ų106.267%0.66558%0.584SS**Hα-helixtrans-61.8-33.1176.3-75.7172.5179.8172.70112.9T38 Q39 A40T38-K42 WeakPolarHBondContact O-CG 3.45Å; T38-K42 PolarHBondContact O-N 3.47Å; Q39-K42 PolarHBondContact O-N 2.98Å; A40-K42 VanDerWaalsContact C-N 3.35Å; A40-K42 PolarHBondContact O-N 2.92Å
43K76.3Confident73.8Confident146 Ų146106 Ų10664%0.63559%0.588SS**Hα-helixtrans-76.2-42.2176.1-73.5173.9-179.4168.70112.2Q39 A40 A41 K45 K46Q39-K43 PolarHBondContact O-N 3.17Å; A40-K43 PolarHBondContact O-N 3.32Å; A40-K43 VanDerWaalsContact O-N 3.1Å; A41-K43 VanDerWaalsContact C-N 3.3Å; A41-K43 PolarHBondContact O-N 3.02Å; K43-K45 PolarHBondContact O-N 3Å; K43-K46 PolarHBondContact O-N 3.06Å
44A72.6Confident72.6Confident65 Ų65111.8 Ų111.854%0.53760%0.602SS.*Hα-helixtrans-58.6-48.3178.900000112.4A40 A41 K46 Q47 A48A40-A44 PolarHBondContact O-N 3.13Å; A41-A44 PolarHBondContact O-N 3.4Å; A44-K46 PolarHBondContact O-N 2.92Å; A44-K46 VanDerWaalsContact O-N 3.14Å; A44-Q47 PolarHBondContact O-N 3.4Å; A44-A48 PolarHBondContact O-N 3.44Å
45K75Confident71.2Confident178 Ų178116.6 Ų116.677%0.77462%0.617SS**Hα-helixtrans-60.3-26.3-178.7-164.1168.3-176.6173.90113.5A41 K43A41-K45 PolarHBondContact O-N 2.89Å; K43-K45 PolarHBondContact O-N 3Å
46K68.1Low69.8Low168 Ų168115.1 Ų115.173%0.7363%0.625SS**Hα-helixtrans-82.1-17.9176.5-74.8-170.1176.2-175.70114.8K43 A44K43-K46 PolarHBondContact O-N 3.06Å; A44-K46 PolarHBondContact O-N 2.92Å; A44-K46 VanDerWaalsContact O-N 3.14Å
47Q66.1Low68.8Low134 Ų134116.9 Ų116.963%0.62663%0.634SS**Hα-helixtrans-90.6-31.7176.5-71-156.713.700113.5A44 K50A44-Q47 PolarHBondContact O-N 3.4Å; Q47-K50 PolarHBondContact O-N 3.38Å
48A60.1Low67.4Low71 Ų71123.2 Ų123.259%0.58765%0.65SS**Hα-helixtrans-60-49.5-179.100000112.4A44 K50 K51A44-A48 PolarHBondContact O-N 3.44Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.94Å; A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.14Å
49S61Low66Low75 Ų75128.8 Ų128.852%0.52467%0.671SS.*Hα-helixtrans-61.2-32.9-176.855.60000114K51S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.17Å
50K59.4Low64.6Low175 Ų175130 Ų13076%0.76169%0.689SS**Hα-helixtrans-75.4-13.4178.7-82.8-170.1172.7-176.20114.8Q47 A48Q47-K50 PolarHBondContact O-N 3.38Å; A48-K50 VanDerWaalsContact C-N 3.3Å; A48-K50 PolarHBondContact O-N 2.94Å
51K60.7Low63.2Low156 Ų156130.8 Ų130.868%0.67870%0.703SS**Hα-helixtrans-93.7-25.4179.2-74.3-177.6178.2173.90114A48 S49A48-K51 PolarHBondContact O-N 3.02Å; A48-K51 VanDerWaalsContact O-N 3.14Å; S49-K51 VanDerWaalsContact C-N 3.33Å; S49-K51 PolarHBondContact O-N 3.17Å
52A56.8Low61.7Low75 Ų75140.1 Ų140.162%0.6272%0.724SS**Hα-helixtrans-66.8-52.1178.500000112.6K54 R55A52-K54 PolarHBondContact O-N 3.45Å; A52-R55 PolarHBondContact O-N 3.44Å
53V57.4Low60.1Low118 Ų118137.3 Ų137.372%0.71573%0.73SS**THydrogen-bonded Turntrans-58.1-28.7-172.9-178.10000113.3R55V53-R55 PolarHBondContact O-N 2.9Å
54K58.7Low58.9Low182 Ų182138.7 Ų138.779%0.79174%0.743SS**THydrogen-bonded Turntrans-84.60.4-176-104.1-174.6177.5-175.90116.1A52A52-K54 PolarHBondContact O-N 3.45Å
55R59.5Low57.8Low223 Ų223145.1 Ų145.184%0.84276%0.759SS**THydrogen-bonded Turntrans-104.7-15.9176.6-77.7-168.7169.1-164.6-4115.3A52 V53A52-R55 PolarHBondContact O-N 3.44Å; V53-R55 PolarHBondContact O-N 2.9Å
56A54.1Low56.8Low87 Ų87146.6 Ų146.672%0.71977%0.766SS**SBendtrans-77-24.6-175.500000114.9K58A56-K58 PolarHBondContact O-N 3.31Å
57S58.7Low56Low98 Ų98145 Ų14569%0.68577%0.77SS**THydrogen-bonded Turntrans-98.129.7-166.578.30000115.6
58K56.1Low55Low195 Ų195146.1 Ų146.185%0.84878%0.781SS**THydrogen-bonded Turntrans-137.19.2-172.8-90.2-161.6172.3-1680117.1A56A56-K58 PolarHBondContact O-N 3.31Å
59Q59.7Low55Low191 Ų191151.3 Ų151.389%0.89379%0.79SS**SBendtrans-115-4.8-173.1-161.5162-19.600115
60S54Low54.4Low116 Ų116155 Ų15581%0.81180%0.799SS**SBendtrans-104.3124176.553.90000111.9
61G48.6Very low54.1Low77 Ų77155.8 Ų155.879%0.79481%0.805SS**  trans112.962.9166.300000116.7
62R50.9Low53.4Low259 Ų259154.1 Ų154.198%0.97781%0.808SS**  trans-157.847.7165.3-124.8175-164.9-1441.3115.6
63A48.4Very low53.4Low95 Ų95158.1 Ų158.179%0.78582%0.818SS**  trans-150.687.6174.600000112.4
64L52Low53.3Low174 Ų174157.5 Ų157.591%0.91182%0.818SS**  trans-179.4156.7159.2-104.4156.5000110.1
65K49.4Very low52.8Low201 Ų201155 Ų15587%0.87482%0.821SS**  trans79.7100-173.1-57.5-169.5174.8-167.50117.1
66K52.1Low52.6Low208 Ų208150.4 Ų150.490%0.90482%0.823SS**  trans-179.886.4145.4-106.8-175.5179-170.20111.1
67T51.3Low52.5Low135 Ų135156.6 Ų156.683%0.82883%0.833SS**  trans-169.289.9159.540.30000108.6
68D46.7Very low51.9Low158 Ų158155.5 Ų155.585%0.84584%0.837SS**  trans-138.6128.5165.9-69.9-68000106.2
69K59.6Low51.4Low180 Ų180151.7 Ų151.778%0.78384%0.835SS**  trans123.3142.2-169.4-82.6176.7162.7-81.70110.5
70E49.1Very low50.7Low152 Ų152146.8 Ų146.871%0.7183%0.827SS**  cis-172.1104.9-7.9173.4164-148.800108.9
71E51.8Low50.4Low192 Ų192149 Ų14990%0.89783%0.825SS**  trans-152.5159.3170.1-140.3160.2-151.600110.9
72T47.6Very low50.7Low120 Ų120151.5 Ų151.574%0.73682%0.82SS**  trans-151.2170.1-164.9-62.80000109.1
73I56.3Low50.7Low160 Ų160143.4 Ų143.482%0.82180%0.803SS**  trans82.6130-176.4-48.5159.3000110.5
74S54.6Low50.6Low104 Ų104146.2 Ų146.273%0.72780%0.804SS**  cis-150.3161.70.6380000111.3
75P48.1Very low50.2Low131 Ų131145.9 Ų145.985%0.85180%0.797SS**  trans-96.8145.1-176.536.4-33.5000115
76S56Low50Low125 Ų125145 Ų14587%0.87480%0.798SS**  trans-140.5144.8162.163.50000112.6
77K51.1Low49.6Very low217 Ų217143.5 Ų143.594%0.94379%0.792SS**  trans-72.2152.2-162.5-59.6164.6179.4173.50115.4
78G46.3Very low49.2Very low75 Ų75145.3 Ų145.377%0.77380%0.796SS**  trans124.6148.3154.900000113.9
79S44.9Very low48.9Very low115 Ų115147 Ų14780%0.80480%0.796SS**  cis-170.8144.9-17.8-171.30000107.2
80A45.6Very low48.2Very low88 Ų88143.5 Ų143.573%0.72779%0.794SS**  trans60.8157173.200000116.8
81E49Very low47.9Very low162 Ų162142.1 Ų142.176%0.75780%0.796SS**  cis-165.2158-39.9-139.5170.9-126.200108.4
82N54.4Low47.2Very low130 Ų130141.1 Ų141.170%0.69579%0.791SS**  trans65.2146.2161.7-63.5-50.7000118.7
83S50.1Low46.9Very low89 Ų89147.4 Ų147.462%0.62280%0.801SS**  cis-159.1157.2-20.3-125.10000112.8
84I47.5Very low46.2Very low155 Ų155147.1 Ų147.180%0.79580%0.797SS**  trans62.9117.6152.8-63163000118.7
85Q42.2Very low45.7Very low166 Ų166148.7 Ų148.778%0.77680%0.797SS**  trans-78.2146.5163.5-54.6169.21500110.6
86M46.8Very low45.3Very low182 Ų182150.6 Ų150.690%0.89779%0.792SS**  trans-133121.5152.5-99.3-64.4-169.600110.6
87K42.2Very low44.8Very low178 Ų178154.9 Ų154.977%0.77480%0.795SS**  trans-78.6145.6169.5-63.6165.8-179.1164.90108.6
88L43.1Very low44.6Very low172 Ų172152.7 Ų152.790%0.90179%0.788SS**  trans-155.7136140.7-111.6165.9000110.9
89K39.9Very low44.7Very low194 Ų194157 Ų15784%0.84379%0.794SS**  trans-103.9133.1170.5-73.5-179.6175.5-179.80108.7
90S46.5Very low44.9Very low107 Ų107156.7 Ų156.775%0.74879%0.791SS**  trans-158.4101.2156.3-72.10000107.2
91T42.1Very low45.1Very low123 Ų123161.7 Ų161.776%0.75580%0.8SS**  55.990.584.863.90000114.4
92E36Very low45.3Very low171 Ų171160 Ų16080%0.79980%0.803SS**  45.8109.1122.9-172.6176-167.500118.5
93R41.3Very low44.7Very low251 Ų251163 Ų16395%0.94781%0.81SS**  trans-154.1145.4141.2-109.2154.3-160.5-149.42.7113.1
94Q42.6Very low44.6Very low154 Ų154163.5 Ų163.572%0.7282%0.819SS**  trans-77.1164.3-165.8-46.9165.6-13.900114.4
95N43.5Very low44.5Very low137 Ų137163.3 Ų163.373%0.73382%0.815SS**  trans62.9156.5143.6-68.9-35.1000117.4
96K40.7Very low44.6Very low172 Ų172161.5 Ų161.575%0.74881%0.811SS**  cis-152.9153.9-10.5-135.6178.9177.3-176.40105.7
97F44.9Very low44.5Very low214 Ų214158.2 Ų158.294%0.93980%0.801SS**  trans-120137160.9-120.5-89.9000109.8
98E47.5Very low44.8Very low171 Ų171157.8 Ų157.880%0.79980%0.801SS**  trans-91.6161.3-170.6-59.9-172.1117.800111.9
99N47.8Very low45Very low167 Ų167156.5 Ų156.589%0.89380%0.795SS**  trans-147130.4172.5-155.9-0.6000109.2
100S49.6Very low45.5Very low107 Ų107154 Ų15475%0.74880%0.797SS**  trans-103.2133.2-154.3-49.30000113.6
101Q49.8Very low45.1Very low193 Ų193153.5 Ų153.590%0.90279%0.793SS**  trans-144.5140.8155.3-80.3-152-59.800111.3
102P52.7Low45.5Very low128 Ų128155.8 Ų155.883%0.83180%0.8SS**  trans-83.3157.9177.734.2-35.1000113.1
103K41.2Very low45.6Very low193 Ų193156.5 Ų156.584%0.83980%0.801SS**  trans-93153.9167.6-76.3179.6173.5179.90111.3
104A48.6Very low45.7Very low99 Ų99152.4 Ų152.482%0.81880%0.797SS**  trans-161.6163.3132.200000109.4
105E44.7Very low45.7Very low150 Ų150149.2 Ų149.270%0.70179%0.791SS**  -157.4174.1-61.9-143.9167.1-151.500108.5
106N44.6Very low45.4Very low129 Ų129149.9 Ų149.969%0.6980%0.801SS**  trans69.7152.5161.3-59.3-19000119.6
107T45Very low45.8Very low112 Ų112147.8 Ų147.869%0.68780%0.802SS**  -163.9179.1-55.513.10000108.8
108E48.3Very low46.1Very low169 Ų169146.7 Ų146.779%0.7980%0.797SS**  trans87102.8174.2-56.8179.2-171.500114.1
109N48.3Very low46.3Very low145 Ų145144.7 Ų144.778%0.77580%0.798SS**  65.4123.761.3-53.3-27.5000110.6
110T50.2Low46.4Very low143 Ų143145.6 Ų145.688%0.87779%0.794SS**  cis-143.8159.349.2-59.70000112.2
111S37.6Very low45.9Very low96 Ų96149.8 Ų149.867%0.67180%0.802SS**  trans-123.3135.7-176.9-163.80000112.1
112L50.6Low45.5Very low171 Ų171149.2 Ų149.290%0.89580%0.797SS**  trans-127.6121163.1-86.3171.7000109.5
113K39.1Very low44.9Very low186 Ų186152.1 Ų152.181%0.80980%0.797SS**  trans-99.3143.3170.5-59.8171.2-179.3171.80108.5
114L43.3Very low45Very low165 Ų165148.1 Ų148.186%0.86479%0.792SS**  trans-155.2141.9151.3-120.4135000114.3
115S42.4Very low44.6Very low86 Ų86150.2 Ų150.260%0.60179%0.789SS**  trans37.3104.6161.256.10000120
116T36.3Very low44.5Very low152 Ų152152.2 Ų152.293%0.93380%0.798SS**  trans-53.9132.6144.63.20000111.1
117V49.9Very low44.2Very low127 Ų127153.4 Ų153.477%0.7781%0.805SS**  trans-128.1136.5169.3-179.30000109.2
118K49.9Very low44.3Very low192 Ų192155.1 Ų155.184%0.83581%0.809SS**PPolyproline II helixtrans-79.8141.3-179.4-61.6178.4-178.71780110.7K120K118-K120 PolarHBondContact O-N 3.4Å
119P52.9Low43.9Very low129 Ų129154.7 Ų154.784%0.83881%0.807SS**PPolyproline II helixtrans-67.1124.4168.228.7-32.9000109.8
120K49Very low43.8Very low186 Ų186155.2 Ų155.281%0.80980%0.803SS**PPolyproline II helixtrans-77.8136.9165-79.8-174.4174.8-178.70108.9K118K118-K120 PolarHBondContact O-N 3.4Å
121Q39.7Very low43.3Very low195 Ų195155.9 Ų155.991%0.91180%0.795SS**PPolyproline II helixtrans-64.9132.5165.1-67.9169.1-3800108.9
122F41.5Very low43.8Very low181 Ų181160.9 Ų160.979%0.79480%0.801SS**  trans-113.8125.4160.2-101.8-91000108.2
123K40.1Very low43.7Very low189 Ų189158.8 Ų158.882%0.82280%0.801SS**  trans-82.9138.9155.4-67-178.3175.8-174.50106.9
124C42.8Very low43.7Very low109 Ų109155.5 Ų155.574%0.73680%0.796SS**  trans-130.2127.3161.7-63.80000106
125D40.8Very low44Very low142 Ų142159 Ų15976%0.75980%0.798SS**  trans-78.9143.4-170.1-57.5-72.7000112.3N127D125-N127 PolarHBondContact O-N 3.28Å
126E41.1Very low44Very low193 Ų193160.8 Ų160.890%0.90280%0.801SS**  trans-7997.6176.8-66.1-176149.500110.2
127N40.3Very low44.6Very low153 Ų153161.3 Ų161.382%0.81880%0.798SS**  trans-143.396.9166.1-88-54.3000109.7D125D125-N127 PolarHBondContact O-N 3.28Å
128L46.3Very low44.3Very low149 Ų149161.8 Ų161.878%0.7880%0.801SS**  trans-143.789.8169.8-127.2162.4000110.2F130L128-F130 HydrophobicContact CD2-CD2 4.48Å; L128-F130 HydrophobicContact CD2-CE2 4.06Å; L128-F130 PolarHBondContact O-N 3.47Å
129E40.2Very low44.1Very low159 Ų159158.8 Ų158.874%0.74381%0.805SS**  trans-67.9117.2-176.5-177.8170.5-148.700111.5H131E129-H131 IonicContact OE1-CE1 3.1Å
130F46.6Very low43.7Very low157 Ų157157.6 Ų157.669%0.68980%0.799SS**  trans-111.394.7174.7-96.3-80.2000111.1L128 Y132L128-F130 HydrophobicContact CD2-CD2 4.48Å; L128-F130 HydrophobicContact CD2-CE2 4.06Å; L128-F130 PolarHBondContact O-N 3.47Å; F130-Y132 HydrophobicContact CB-CE2 4.5Å; F130-Y132 PolarHBondContact O-N 3.41Å
131H39.3Very low43.7Very low156 Ų156158.5 Ų158.572%0.72280%0.803SS**  trans-60.2120.9168-67.4-72.7000110.9E129E129-H131 IonicContact OE1-CE1 3.1Å
132Y47Very low44Very low202 Ų202154.1 Ų154.179%0.79279%0.794SS**  trans-109.1123.3158-85.5-87.3000109.1F130 T134F130-Y132 HydrophobicContact CB-CE2 4.5Å; F130-Y132 PolarHBondContact O-N 3.41Å; Y132-T134 PolarHBondContact O-N 2.93Å
133S48.8Very low44.2Very low127 Ų127151.6 Ų151.689%0.88880%0.796SS**  trans-76.4119.3-168.3-171.40000112.1R135S133-R135 PolarHBondContact O-N 3.46Å
134T38.9Very low44.5Very low116 Ų116150.3 Ų150.371%0.71280%0.797SS**  trans-76.7116.9177.2-41.10000110.4Y132 N136Y132-T134 PolarHBondContact O-N 2.93Å; T134-N136 WeakPolarHBondContact CG2-OD1 3.41Å
135R51Low44.5Very low238 Ų238150.2 Ų150.290%0.89880%0.798SS**  trans-106.6106.4164.5-158.1172.4-166.1157.25.7109.3S133S133-R135 PolarHBondContact O-N 3.46Å
136N42.3Very low44.7Very low125 Ų125153.1 Ų153.167%0.66880%0.804SS**  trans-72.6140.1176.3-59.5-36.1000110.1T134T134-N136 WeakPolarHBondContact CG2-OD1 3.41Å
137D48.7Very low45.1Very low163 Ų163149.5 Ų149.587%0.87280%0.795SS**  trans-142.4126147.9-99.6-48000108.3
138T42.4Very low45.1Very low137 Ų137146.9 Ų146.984%0.8479%0.794SS**  trans-101126.6-169.745.40000111.4
139S46.9Very low45.5Very low129 Ų129149.1 Ų149.190%0.90280%0.798SS**  trans-144.2129.9162.5-161.60000110.2
140S44.8Very low45.8Very low103 Ų103147.3 Ų147.372%0.7280%0.802SS**  trans-99142.6-168.856.80000112.6
141K49.1Very low46.2Very low206 Ų206149.4 Ų149.490%0.89681%0.811SS**  trans-168.2147.2131-100.7144.4-167.9172.40112.5
142S44.3Very low46.6Very low103 Ų103152.3 Ų152.372%0.7282%0.822SS**PPolyproline II helixtrans-70145.3-170.142.80000114.6
143P47.2Very low46.8Very low128 Ų128148.7 Ų148.783%0.83182%0.821SS**PPolyproline II helixtrans-86.9120.1159.132.9-28.4000110.3
144L45.9Very low47.4Very low162 Ų162152 Ų15285%0.84882%0.819SS**PPolyproline II helixtrans-77.7136.9166.8-88.8166000110.3
145S42.3Very low48.5Very low107 Ų107152.1 Ų152.175%0.74882%0.822SS**PPolyproline II helixtrans-80.7136.6174.349.20000110.9
146F45.3Very low48.8Very low203 Ų203150.2 Ų150.289%0.8982%0.82SS**  trans-139.5130.7162.9-111.5-77.7000114
147V49.5Very low49.2Very low117 Ų117150.9 Ų150.971%0.70982%0.823SS**  trans-58.2135-173.4174.50000113
148A40.5Very low49.6Very low98 Ų98152.5 Ų152.581%0.8182%0.823SS**  trans-70.7128.9169.300000111.7
149K55.2Low50.4Low195 Ų195154.2 Ų154.285%0.84882%0.819SS**  trans-128.9107.6164.7-74.9-174.2177.7177.20109.8
150S46.4Very low50.9Low121 Ų121153.6 Ų153.685%0.84681%0.811SS**  trans-85.4132174.952.40000110.9
151K54Low51.1Low201 Ų201155 Ų15587%0.87482%0.816SS**  trans-118.7120.8164.6-83.2-169.7173-176.40109.3
152K47.8Very low51Low217 Ų217151 Ų15194%0.94381%0.809SS**  trans-79.3121.8169.4-74.9175.5176.2170.80109
153T52.7Low50.9Low127 Ų127151.5 Ų151.578%0.77981%0.812SS**  trans-133.7120.1164.4-43.20000108.6
154K60.9Low51Low195 Ų195151.4 Ų151.485%0.84881%0.809SS**PPolyproline II helixtrans-86129.4175.2-68.8-178.6177.5-1790109.6
155P61.1Low50.9Low119 Ų119152 Ų15277%0.77381%0.812SS**PPolyproline II helixtrans-71.8136.7158.430.8-31.5000109.5
156K56.9Low51Low198 Ų198152.4 Ų152.486%0.86182%0.815SS**PPolyproline II helixtrans-92.5125.9163.8-76-176.9175.7-179.90108
157L51.7Low51Low139 Ų139147.7 Ų147.773%0.72881%0.814SS**PPolyproline II helixtrans-69.9145.4160.3-100.274.1000109.5F159L157-F159 HydrophobicContact CD2-CE2 3.72Å; L157-F159 HydrophobicContact CD2-CZ 3.82Å
158K57.9Low51.1Low198 Ų198145.7 Ų145.786%0.86182%0.816SS**  trans-128.4124.6158.2-76.6-172.6174-173.50107.2
159F57.7Low51.5Low173 Ų173147.3 Ų147.376%0.75982%0.819SS**  trans-98.1128.2162.3-70.4-75.9000108.2L157L157-F159 HydrophobicContact CD2-CE2 3.72Å; L157-F159 HydrophobicContact CD2-CZ 3.82Å
160P58.9Low50.9Low115 Ų115141.5 Ų141.575%0.74781%0.814SS**  trans-88.1120.1163.132.2-26.9000109.5
161T47.9Very low51.1Low134 Ų134143.7 Ų143.782%0.82282%0.815SS**  trans-105.7106.1172-45.50000108.6
162T48Very low50.8Low121 Ų121143 Ų14374%0.74282%0.815SS**  trans-104.892.8-178.650.60000111V164T162-V164 PolarHBondContact O-N 2.93Å
163S40.5Very low50.9Low113 Ų113140.5 Ų140.579%0.7981%0.81SS**  trans-82.3101.416654.90000109.8L165S163-L165 PolarHBondContact O-N 3.32Å
164V49.2Very low50.6Low127 Ų127142.3 Ų142.377%0.7781%0.81SS**  trans-86.3105.2173179.40000109T162T162-V164 PolarHBondContact O-N 2.93Å
165L43.8Very low49.9Very low174 Ų174139.4 Ų139.491%0.91180%0.803SS**  trans-77.4130.7156.6-75.2165.3000107.9S163S163-L165 PolarHBondContact O-N 3.32Å
166S45.6Very low49.1Very low116 Ų116140 Ų14081%0.81181%0.805SS**  trans-137.1131.9166.1-169.90000108.6
167A45.6Very low48.7Very low104 Ų104139.2 Ų139.286%0.8680%0.804SS**  trans-108.7138179.500000109.8
168G51.6Low48.2Very low74 Ų74139.1 Ų139.176%0.76381%0.809SS**  trans-161.7123.3178.200000108.7
169P47.9Very low48.2Very low133 Ų133135.4 Ų135.486%0.86481%0.806SS**  trans-107.6159.5-157.839-35.7000115.6
170G43.6Very low48.1Very low73 Ų73131.3 Ų131.375%0.75380%0.804SS**  trans98.3100.4131.600000118.6
171I50.3Low47.7Very low166 Ų166131.8 Ų131.885%0.85181%0.807SS**  trans-132.8137139.6-60.6-176.8000106.8
172Q47.1Very low48.1Very low188 Ų188132.9 Ų132.988%0.87981%0.806SS**  trans-99.2133.5175.6-54.6173.820.400109.8
173I50.6Low47.8Very low164 Ų164133 Ų13384%0.84181%0.807SS**  trans-141152153.1-61.6-172.4000107.8
174E46.7Very low48.4Very low165 Ų165139 Ų13977%0.77181%0.812SS**  trans-76.9154.6-162.5-64.2174.182.600117.3
175N44.4Very low48.2Very low133 Ų133143.7 Ų143.771%0.71182%0.816SS**  trans26.9124.2133.5-51.2-37.8000119.8
176T44.6Very low48Very low131 Ų131140.3 Ų140.380%0.80481%0.807SS**  -175.1118113-76.40000113
177Q49.2Very low48.2Very low183 Ų183141.7 Ų141.786%0.85581%0.811SS**  trans37119.4143.4-151.9163.626.600122.2
178T41.4Very low47.7Very low136 Ų136141.7 Ų141.783%0.83481%0.805SS**PPolyproline II helixtrans-82138.2172.3-23.60000113.6
179P58.6Low47.5Very low121 Ų121144.3 Ų144.379%0.78681%0.808SS**PPolyproline II helixtrans-95.4144.916434.7-31000112.9
180A55.5Low47.4Very low87 Ų87141.7 Ų141.772%0.71980%0.798SS**PPolyproline II helixtrans-86.9161.4176.800000112.3
181P49.8Very low47.5Very low125 Ų125145 Ų14581%0.81280%0.798SS**PPolyproline II helixtrans-71.7138.1-170.828-35.4000113.9T183P181-T183 PolarHBondContact O-N 3.49Å
182I56.3Low47.1Very low156 Ų156144.7 Ų144.780%0.879%0.793SS**  trans-77.9114.6-176.5-61.8174.7000111R184I182-R184 HydrophobicContact CG2-CG 4.42Å
183T40.9Very low46.8Very low125 Ų125142.7 Ų142.777%0.76779%0.787SS**  trans-86.1127166-63.10000110.1P181P181-T183 PolarHBondContact O-N 3.49Å
184R52.7Low46.6Very low237 Ų237144.3 Ų144.389%0.89479%0.788SS**  trans-100.8111.4171.6-78.3-173.9170.7-177.4-2.5111.8I182I182-R184 HydrophobicContact CG2-CG 4.42Å
185R45Very low46.4Very low226 Ų226143.2 Ų143.285%0.85379%0.788SS**  trans-88118159.1-83.7-177.7178.4-178.1-0.8107.4
186S40.7Very low46.5Very low103 Ų103143.8 Ų143.872%0.7279%0.789SS**  77.4107.877.278.20000114.5
187T49.9Very low46.3Very low146 Ų146143.4 Ų143.490%0.89679%0.792SS**  trans-140.1118.2155.145.40000108.4
188S35.6Very low46.3Very low104 Ų104140 Ų14073%0.72778%0.784SS**  trans-86.8165.5170.6-177.30000109.5
189P46.9Very low46.3Very low129 Ų129140.7 Ų140.784%0.83879%0.788SS**  -129.7161.7105.336.9-30.5000113.8
190A44.6Very low45.7Very low78 Ų78139.8 Ų139.865%0.64578%0.784SS**  trans-76.7163.7-171.800000113.9
191N45.6Very low45.2Very low142 Ų142139.6 Ų139.676%0.75978%0.783SS**  -164.8143.4110.1-92.2-26.1000113.7
192H42.9Very low44.9Very low160 Ų160141.1 Ų141.174%0.74179%0.785SS**  trans6.5119.4169.6-51.7-75.4000120.1
193L40.6Very low44.3Very low146 Ų146145 Ų14576%0.76479%0.789SS**  57.6103.472.5-84.7163.5000115.9
194K46.6Very low44.4Very low197 Ų197148.6 Ų148.686%0.85780%0.795SS**  -171.4136.6111.5-105.9174-179.3178.30112.9
195D43.1Very low44Very low142 Ų142145.5 Ų145.576%0.75980%0.795SS**  trans-75.6139.4171.6-51.6-87.7000111.9
196I45.7Very low43.8Very low146 Ų146143.8 Ų143.875%0.74980%0.796SS**  trans-136.695.9158-55.8-178.8000108.3T198I196-T198 HydrophobicContact CG2-CG2 3.83Å
197S40.8Very low44.1Very low123 Ų123147 Ų14786%0.8681%0.805SS**  trans-91.1104.4165.3-73.40000109.7
198T48.8Very low43.7Very low112 Ų112147.9 Ų147.969%0.68780%0.804SS**  trans-130.4108172.950.30000111I196I196-T198 HydrophobicContact CG2-CG2 3.83Å
199T41.4Very low44.1Very low150 Ų150152.2 Ų152.292%0.9281%0.813SS**  trans-68.8124.2163.547.20000110
200S46.3Very low44Very low101 Ų101154.4 Ų154.471%0.70682%0.817SS**  trans-137.3126.2165.162.60000110.2
201A45.3Very low44.2Very low84 Ų84159.8 Ų159.869%0.69483%0.828SS**  trans-73.2-166.5162.300000110.3
202D43.4Very low44.6Very low157 Ų157158.9 Ų158.984%0.8483%0.83SS**  trans61.570.2167.6-56.8-22.4000116.8
203R43.5Very low44.7Very low237 Ų237159.9 Ų159.989%0.89483%0.832SS**  trans-130.957.6148.6-66.2-163.7-167.5-171.37112
204F42.6Very low45Very low201 Ų201160.8 Ų160.888%0.88284%0.837SS**  trans-114.1153.6159.8-90.6-91.7000108.7
205L45.1Very low45.1Very low172 Ų172157.6 Ų157.690%0.90183%0.829SS**SBendtrans86.350.3175.1-51.8171.1000119.3
206E40.5Very low45Very low189 Ų189158.4 Ų158.488%0.88383%0.833SS**  trans-150.139.8159.9-141.2166.6-153.800118.1
207L45.8Very low45.2Very low171 Ų171160.3 Ų160.390%0.89584%0.838SS**SBendtrans-138.259.3170.9-77.4178.3000112.9
208N43.4Very low45.3Very low165 Ų165159.7 Ų159.788%0.88283%0.83SS**  trans-147.937.1177.6-88.4-58.1000114
209Q43.5Very low45.6Very low194 Ų194160.5 Ų160.591%0.90784%0.837SS**  trans-136.751.4177.8-71.6-153.785.900114.6
210L44.4Very low45.6Very low176 Ų176157.4 Ų157.492%0.92182%0.822SS**  trans-139.5100.5161-74.4178.8000110.4
211Q49.7Very low45.6Very low191 Ų191161.6 Ų161.689%0.89383%0.829SS**  trans-119.7122.7161.1-78.5-163.4-41.800108.7K213Q211-K213 PolarHBondContact O-N 3.39Å
212P53Low45.6Very low123 Ų123164.3 Ų164.380%0.79983%0.831SS**  trans-72.5122.8166.629.6-31000109.1
213K45.5Very low45.8Very low180 Ų180168.1 Ų168.178%0.78383%0.834SS**  trans-66.9142.8155.4-78.9-173.1174-172.40108.3Q211Q211-K213 PolarHBondContact O-N 3.39Å
214L47.4Very low45.9Very low165 Ų165166.3 Ų166.386%0.86483%0.832SS**  trans-138.296.7169.8-133.6164.7000105.8
215D47.3Very low45.9Very low131 Ų131161.1 Ų161.170%0.70183%0.827SS**  trans-73.2143.1-175.2-66.3-59.7000110.6
216L41.2Very low46Very low158 Ų158157.8 Ų157.883%0.82782%0.815SS**  trans-113.582.6-167.3-169.678.9000110.8
217E50Low46.3Very low186 Ų186158.3 Ų158.387%0.86982%0.815SS**  trans-68.8140.9173.2-69.6-141.6139.100112
218T43.2Very low46.4Very low110 Ų110155.1 Ų155.168%0.67581%0.807SS**  trans-136.2107.1-178.4-55.10000110
219P54.7Low46.6Very low129 Ų129151.3 Ų151.384%0.83879%0.793SS**  trans-84.2123.6176.6-10.728.2000111.9
220S40.9Very low46.8Very low86 Ų86147.7 Ų147.760%0.60178%0.784SS**  trans-122.1100-176.263.10000114.3
221H48Very low46.8Very low188 Ų188145.7 Ų145.787%0.8777%0.774SS**  trans-143.9125.1163.5-66.8-52.5000108.1
222I45.2Very low46.6Very low141 Ų141145.3 Ų145.372%0.72377%0.77SS**  cis74.585.834.3-47.4179.2000114.3
223R47.2Very low46Very low238 Ų238146.5 Ų146.590%0.89877%0.768SS**  trans-168.3108.7141.5-99.9161.2-167.4-151.83.3107.8
224K45.8Very low46Very low198 Ų198149.5 Ų149.586%0.86178%0.775SS**  73.199.786.4-75.5-170.9176.2-173.20114.7
225A42.9Very low45.5Very low93 Ų93147.4 Ų147.477%0.76977%0.769SS**  trans-79.3178.7149.700000109.4
226P47.1Very low45.3Very low102 Ų102147.5 Ų147.566%0.66277%0.774SS**  -157.1176.760.745.1-25.1000118.5
227K46.1Very low45.4Very low200 Ų200145.4 Ų145.487%0.8777%0.772SS**  trans63.5153.1156-68.6160.7-174.5-176.80117.4
228S48.3Very low44.9Very low104 Ų104146.9 Ų146.973%0.72777%0.772SS**  cis-163.7-157.3-19.452.20000106.5
229S47.5Very low45Very low85 Ų85149.8 Ų149.859%0.59478%0.783SS**  cis-172.7160.31.716.60000108.5
230T47.9Very low44.3Very low118 Ų118148.3 Ų148.372%0.72478%0.775SS**  trans60.4143.815852.30000118.7
231D43.3Very low44.4Very low133 Ų133153.4 Ų153.471%0.71179%0.79SS**  cis-163.5-170.4-4.6-110.3-20.3000112
232F45.4Very low44.1Very low183 Ų183150.6 Ų150.680%0.80379%0.786SS**  trans89.172.5165.3-70.5-80.4000120.7
233I40.2Very low43.9Very low149 Ų149152.7 Ų152.776%0.76479%0.793SS**  26114.5114.3-50.7172.8000117.5
234R45.5Very low43.6Very low243 Ų243149.3 Ų149.392%0.91779%0.787SS**  -151.4123.1129-145172.8-165.6167.36113.1
235T38.1Very low43.1Very low120 Ų120145.2 Ų145.274%0.73678%0.781SS**  trans-78.3144.116929.30000111.8
236V43.1Very low42.9Very low133 Ų133149.1 Ų149.181%0.80679%0.788SS**  trans-155.6126.9130.7-176.50000110
237S42.7Very low42.3Very low114 Ų114148.8 Ų148.880%0.79779%0.788SS**  trans50.6155156.5-58.80000124
238Y40.1Very low41.9Very low218 Ų218148.9 Ų148.986%0.85579%0.791SS**  trans-94.2152.3174.3-70.2-116.1000111
239D44.7Very low41.4Very low170 Ų170148.6 Ų148.691%0.90979%0.79SS**  -143.7144.2127.1-113.1-36.3000108.5
240S39.4Very low40.9Very low98 Ų98156.5 Ų156.569%0.68581%0.806SS**  trans-113.687.2-159.362.80000114.7
241E43.6Very low40.7Very low194 Ų194158.5 Ų158.591%0.90781%0.807SS**  trans-83.7116.7163.7-65.1-158.814000110.4E243E241-E243 PolarHBondContact O-N 2.92Å
242T41.9Very low40.8Very low128 Ų128156.6 Ų156.679%0.78580%0.803SS**  trans-87.985.1-177.6-550000110.9Q244T242-Q244 PolarHBondContact O-N 3.45Å
243E40.2Very low40.9Very low186 Ų186152 Ų15287%0.86981%0.807SS**  trans-66.8110167-70.2-154.6133.600110.6E241E241-E243 PolarHBondContact O-N 2.92Å
244Q40.6Very low41.4Very low167 Ų167149.6 Ų149.678%0.7880%0.795SS**  trans-81.2134.4168.7-84.9-163.2-20.300111.2T242 L246T242-Q244 PolarHBondContact O-N 3.45Å; Q244-L246 PolarHBondContact O-N 2.8Å
245P37.3Very low41.8Very low112 Ų112145.5 Ų145.573%0.72779%0.79SS**  trans-69.8132.318028.1-34.4000111.7S247P245-S247 PolarHBondContact O-N 3.46Å
246L37.4Very low42.7Very low175 Ų175149.3 Ų149.392%0.91680%0.796SS**  trans-64.597.8172.2-88.675.5000110.2Q244Q244-L246 PolarHBondContact O-N 2.8Å
247S34Very low43.4Very low95 Ų95149.6 Ų149.666%0.66480%0.798SS**  trans-154.394.9177.5-80.50000112.3P245P245-S247 PolarHBondContact O-N 3.46Å
248Q37.7Very low44Very low201 Ų201150.1 Ų150.194%0.93979%0.79SS**  trans168.5156.4130.3-89.9169.12500111.4
249S39.5Very low44.4Very low99 Ų99146.8 Ų146.869%0.69279%0.787SS**  trans-82.9159.3-171.856.20000113.4Q251S249-Q251 PolarHBondContact O-N 2.98Å
250R37.1Very low44.8Very low251 Ų251145.5 Ų145.595%0.94778%0.78SS**  trans-67.889.1174.5-70.4-179.9174.4-179.4-1.8111.6
251Q43Very low45.5Very low159 Ų159148 Ų14874%0.74379%0.786SS**  trans-80.3136.4159.4-74.4-68.9-1000110.1S249S249-Q251 PolarHBondContact O-N 2.98Å
252P45.3Very low46.2Very low94 Ų94144.9 Ų144.961%0.6179%0.786SS**  trans-64.7144.4168.5-18.432.1000111.1L254P252-L254 PolarHBondContact O-N 3.47Å
253G46.6Very low47.2Very low87 Ų87144.7 Ų144.790%0.89778%0.779SS**SBendtrans-73.662.7-176.800000115
254L51.5Low49.1Very low98 Ų98139.6 Ų139.651%0.51376%0.758SS.*  trans-106.236.1-177.1-91165.8000113.4P252 E275P252-L254 PolarHBondContact O-N 3.47Å; L254-E275 HydrophobicContact CD1-CG 4.47Å
255I52.7Low51.1Low156 Ų156139.6 Ų139.680%0.876%0.758SS**  trans-129.465.4177.6-44.8179.4000110.4
256K57.7Low53.2Low201 Ų201140.4 Ų140.487%0.87475%0.752SS**SBendtrans-145.417.6171.1-76.6-155.1172.5-1670114.4
257V57.6Low55.5Low138 Ų138136 Ų13684%0.83673%0.729SS**  trans-141.749-178-160.50000111.2
258I55.2Low57.9Low126 Ų126133.8 Ų133.865%0.64671%0.71SS**  trans-13960.2168.9-43.6178.8000109.5L268I258-L268 HydrophobicContact CD1-CD1 4.25Å; I258-L268 HydrophobicContact CD1-CD2 4.1Å
259D50.1Low60.4Low147 Ų147132 Ų13279%0.78670%0.699SS**  trans-114.6146.3157.4-76.9-58.1000107.8
260N53Low62.8Low144 Ų144133.3 Ų133.377%0.7769%0.694SS**SBendtrans78.194.1-173.7-47.4-71.4000116.6
261N53Low65.2Low151 Ų151127.6 Ų127.681%0.80767%0.673SS**SBendtrans56.4121.5134.1-57.4-18.9000121.2L263N261-L263 PolarHBondContact O-N 2.91Å
262S59.6Low67.5Low128 Ų128124.2 Ų124.290%0.89566%0.66SS**  trans67.317.3148.9-162.10000119.1D264S262-D264 PolarHBondContact O-N 3.11Å
263L62.4Low69.7Low123 Ų123125.5 Ų125.564%0.64466%0.657SS**  trans-74.8118.6167.8-165.171.2000110.6N261 Q265 N267 L268N261-L263 PolarHBondContact O-N 2.91Å; L263-Q265 PolarHBondContact O-N 2.71Å; L263-N267 HydrophobicContact CD1-CB 4.5Å; L263-L268 HydrophobicContact CD2-CB 4.39Å
264D80.3Confident71.5Confident79 Ų79126.1 Ų126.142%0.42264%0.637SS.*  trans-52.4130.6177.5-176.7-14.3000111.2S262 Q266 N267 L268S262-D264 PolarHBondContact O-N 3.11Å; D264-Q266 PolarHBondContact O-N 2.86Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 PolarHBondContact OD1-N 2.89Å; D264-N267 HydrophobicContact CB-CB 4.34Å; D264-N267 WeakPolarHBondContact O-CA 3.47Å; D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 PolarHBondContact O-N 2.71Å; D264-L268 PolarHBondContact O-N 3.44Å
265Q81.5Confident73.3Confident167 Ų167124 Ų12478%0.7862%0.624SS**Hα-helixtrans-56.2-28.4178.2-162.3-178.738.500112.4L263 K269L263-Q265 PolarHBondContact O-N 2.71Å; Q265-K269 WeakPolarHBondContact O-CB 3.13Å; Q265-K269 PolarHBondContact O-N 3.12Å; Q265-K269 VanDerWaalsContact O-N 3.1Å
266Q82.8Confident75Confident130 Ų130121.6 Ų121.661%0.60761%0.612SS**Hα-helixtrans-68.2-42.7172-61-16544.600112.3D264 K269 Q270D264-Q266 PolarHBondContact O-N 2.86Å; D264-Q266 VanDerWaalsContact O-N 3.13Å; D264-Q266 PolarHBondContact OD1-N 2.89Å; Q266-K269 PolarHBondContact O-N 3.25Å; Q266-Q270 WeakPolarHBondContact O-CG 3.45Å; Q266-Q270 PolarHBondContact O-N 3.17Å
267N84.3Confident76.4Confident81 Ų81116 Ų11643%0.43359%0.592SS.*Hα-helixtrans-67.2-41.1178.8-69.7-21.2000111.2L263 D264 K269 Q270 Y271L263-N267 HydrophobicContact CD1-CB 4.5Å; D264-N267 HydrophobicContact CB-CB 4.34Å; D264-N267 WeakPolarHBondContact O-CA 3.47Å; D264-N267 WeakPolarHBondContact O-CB 3.48Å; D264-N267 PolarHBondContact O-N 2.71Å; N267-K269 VanDerWaalsContact C-N 3.33Å; N267-K269 PolarHBondContact O-N 3.45Å; N267-Q270 PolarHBondContact O-N 3.27Å; N267-Y271 WeakPolarHBondContact O-CB 3.47Å; N267-Y271 PolarHBondContact O-N 3.22Å
268L85.7Confident77.8Confident50 Ų50113.6 Ų113.626%0.26257%0.57SS.*Hα-helixtrans-60.3-42.6173-178.361.1000111.5I258 L263 D264 Y271 L272I258-L268 HydrophobicContact CD1-CD1 4.25Å; I258-L268 HydrophobicContact CD1-CD2 4.1Å; L263-L268 HydrophobicContact CD2-CB 4.39Å; D264-L268 PolarHBondContact O-N 3.44Å; L268-Y271 PolarHBondContact O-N 3.46Å; L268-L272 HydrophobicContact CD1-CD1 4.24Å; L268-L272 HydrophobicContact CD1-CG 4.38Å; L268-L272 HydrophobicContact CG-CD1 4.14Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.42Å
269K89.6Confident79.1Confident162 Ų162111.2 Ų111.270%0.70456%0.564SS**Hα-helixtrans-66.1-39.8177.2-173.2171-176.8171.20112.8Q265 Q266 N267 H273Q265-K269 WeakPolarHBondContact O-CB 3.13Å; Q265-K269 PolarHBondContact O-N 3.12Å; Q265-K269 VanDerWaalsContact O-N 3.1Å; Q266-K269 PolarHBondContact O-N 3.25Å; N267-K269 VanDerWaalsContact C-N 3.33Å; N267-K269 PolarHBondContact O-N 3.45Å; K269-H273 VanDerWaalsContact O-CB 3.3Å; K269-H273 WeakPolarHBondContact O-CB 3.32Å; K269-H273 PolarHBondContact O-N 3.27Å; K269-H273 VanDerWaalsContact O-N 3.08Å
270Q90.2Very high80.7Confident127 Ų127108.9 Ų108.959%0.59355%0.549SS*.Hα-helixtrans-65.4-42.7174.3-72.5-17933.800111.7Q266 N267 H273 H274Q266-Q270 WeakPolarHBondContact O-CG 3.45Å; Q266-Q270 PolarHBondContact O-N 3.17Å; N267-Q270 PolarHBondContact O-N 3.27Å; Q270-H273 PolarHBondContact O-N 3.14Å; Q270-H274 WeakPolarHBondContact O-CB 3.49Å; Q270-H274 PolarHBondContact O-N 3.22Å
271Y88Confident82.1Confident132 Ų132103.3 Ų103.352%0.51852%0.522SS..Hα-helixtrans-59-52.1176.6179.1-88.2000111.7N267 L268 H273 H274 E275N267-Y271 WeakPolarHBondContact O-CB 3.47Å; N267-Y271 PolarHBondContact O-N 3.22Å; L268-Y271 PolarHBondContact O-N 3.46Å; Y271-H273 VanDerWaalsContact C-N 3.34Å; Y271-H273 PolarHBondContact O-N 3.46Å; Y271-H274 PolarHBondContact O-N 3.47Å; Y271-E275 WeakPolarHBondContact CE1-OE2 3.31Å; Y271-E275 PolarHBondContact O-N 3.18Å
272L91.4Very high83.3Confident87 Ų8798.7 Ų98.746%0.45550%0.498SS..Hα-helixtrans-61.6-40.3179.3-71.5169.4000112.3L268 E275 L276L268-L272 HydrophobicContact CD1-CD1 4.24Å; L268-L272 HydrophobicContact CD1-CG 4.38Å; L268-L272 HydrophobicContact CG-CD1 4.14Å; L268-L272 WeakPolarHBondContact O-CG 3.43Å; L268-L272 PolarHBondContact O-N 3.42Å; L272-E275 PolarHBondContact O-N 3.37Å; L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.5Å
273H89.9Confident84.5Confident121 Ų12196.7 Ų96.756%0.5648%0.484SS*.Hα-helixtrans-64.1-42.6175.8-177.8-92.7000112.1K269 Q270 Y271 L276 L277K269-H273 VanDerWaalsContact O-CB 3.3Å; K269-H273 WeakPolarHBondContact O-CB 3.32Å; K269-H273 PolarHBondContact O-N 3.27Å; K269-H273 VanDerWaalsContact O-N 3.08Å; Q270-H273 PolarHBondContact O-N 3.14Å; Y271-H273 VanDerWaalsContact C-N 3.34Å; Y271-H273 PolarHBondContact O-N 3.46Å; H273-L276 PolarHBondContact O-N 3.44Å; H273-L277 VanDerWaalsContact CE1-CD1 3.49Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 2.86Å
274H85.9Confident85.7Confident101 Ų10194.8 Ų94.847%0.46847%0.472SS..Hα-helixtrans-68-38.1176.4173.6-105.2000112.5Q270 Y271 K278Q270-H274 WeakPolarHBondContact O-CB 3.49Å; Q270-H274 PolarHBondContact O-N 3.22Å; Y271-H274 PolarHBondContact O-N 3.47Å; H274-K278 WeakPolarHBondContact O-CB 3.46Å; H274-K278 PolarHBondContact O-N 3.14Å
275E87.7Confident85.8Confident53 Ų5391.5 Ų91.525%0.24845%0.454CS..Hα-helixtrans-68.1-37.5174.6-175.1155.3-132.200112.3L254 Y271 L272 K278 S279L254-E275 HydrophobicContact CD1-CG 4.47Å; Y271-E275 WeakPolarHBondContact CE1-OE2 3.31Å; Y271-E275 PolarHBondContact O-N 3.18Å; L272-E275 PolarHBondContact O-N 3.37Å; E275-K278 PolarHBondContact O-N 3.22Å; E275-S279 PolarHBondContact O-N 3.39Å
276L90.3Very high85.9Confident105 Ų10588.4 Ų88.455%0.5544%0.443SS..Hα-helixtrans-63.4-54174.3-172150.6000111.5L272 H273 K278 S279 E280L272-L276 WeakPolarHBondContact O-CB 3.49Å; L272-L276 PolarHBondContact O-N 3.5Å; H273-L276 PolarHBondContact O-N 3.44Å; L276-K278 PolarHBondContact O-N 3.2Å; L276-S279 WeakPolarHBondContact O-CA 3.37Å; L276-S279 WeakPolarHBondContact O-CB 3.23Å; L276-S279 PolarHBondContact O-N 3.29Å; L276-S279 PolarHBondContact O-OG 3.26Å; L276-E280 PolarHBondContact O-N 3.39Å
277L86.2Confident86.3Confident84 Ų8486.4 Ų86.444%0.4444%0.437SS..Hα-helixtrans-55-39.9176-76.2175.6000112.2H273 E280 A281H273-L277 VanDerWaalsContact CE1-CD1 3.49Å; H273-L277 WeakPolarHBondContact CE1-CD1 3.3Å; H273-L277 WeakPolarHBondContact O-CG 3.43Å; H273-L277 PolarHBondContact O-N 2.86Å; L277-E280 PolarHBondContact O-N 2.95Å; L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.43Å
278K86.1Confident86.5Confident88 Ų8885.4 Ų85.438%0.38343%0.433SS..Hα-helixtrans-67.2-35.2176.3-179.3-179.1179-175.70112.3H274 E275 L276 L282H274-K278 WeakPolarHBondContact O-CB 3.46Å; H274-K278 PolarHBondContact O-N 3.14Å; E275-K278 PolarHBondContact O-N 3.22Å; L276-K278 PolarHBondContact O-N 3.2Å; K278-L282 HydrophobicContact CG-CD1 4.2Å; K278-L282 WeakPolarHBondContact O-CB 3.47Å; K278-L282 VanDerWaalsContact O-CD1 3.29Å; K278-L282 WeakPolarHBondContact O-CD1 3.45Å; K278-L282 WeakPolarHBondContact O-CG 3.19Å; K278-L282 PolarHBondContact O-N 3.14Å
279S83.2Confident86.8Confident75 Ų7590.6 Ų90.652%0.52446%0.456SS..Hα-helixtrans-70.1-37.3174.476.70000112.2E275 L276 S283E275-S279 PolarHBondContact O-N 3.39Å; L276-S279 WeakPolarHBondContact O-CA 3.37Å; L276-S279 WeakPolarHBondContact O-CB 3.23Å; L276-S279 PolarHBondContact O-N 3.29Å; L276-S279 PolarHBondContact O-OG 3.26Å; S279-S283 PolarHBondContact O-N 3.25Å
280E82.9Confident86.8Confident99 Ų9984.4 Ų84.446%0.46343%0.429SS..Hα-helixtrans-67.6-55.2178.8-173.4164.6-138.900111L276 L277 L282 S283 E284L276-E280 PolarHBondContact O-N 3.39Å; L277-E280 PolarHBondContact O-N 2.95Å; E280-L282 PolarHBondContact O-N 3.26Å; E280-L282 VanDerWaalsContact O-N 3.13Å; E280-S283 WeakPolarHBondContact O-CA 3.22Å; E280-S283 WeakPolarHBondContact O-CB 3.49Å; E280-S283 PolarHBondContact O-N 3.49Å; E280-S283 PolarHBondContact O-OG 3.44Å; E280-E284 PolarHBondContact O-N 2.96Å
281A82.4Confident86.8Confident26 Ų2678.8 Ų78.822%0.21540%0.404CS..Hα-helixtrans-57-31.4176.300000113.2L277 S283 E284 V285L277-A281 WeakPolarHBondContact O-CB 3.4Å; L277-A281 PolarHBondContact O-N 3.43Å; A281-S283 VanDerWaalsContact C-N 3.34Å; A281-E284 PolarHBondContact O-N 3.38Å; A281-V285 WeakPolarHBondContact O-CG2 3.41Å; A281-V285 PolarHBondContact O-N 2.96Å
282L78.8Confident86.9Confident54 Ų5476.1 Ų76.128%0.28340%0.398SS..Hα-helixtrans-78.1-15.6175.6-68.7174.8000114.3K278 E280 V285 A336K278-L282 HydrophobicContact CG-CD1 4.2Å; K278-L282 WeakPolarHBondContact O-CB 3.47Å; K278-L282 VanDerWaalsContact O-CD1 3.29Å; K278-L282 WeakPolarHBondContact O-CD1 3.45Å; K278-L282 WeakPolarHBondContact O-CG 3.19Å; K278-L282 PolarHBondContact O-N 3.14Å; E280-L282 PolarHBondContact O-N 3.26Å; E280-L282 VanDerWaalsContact O-N 3.13Å; L282-V285 HydrophobicContact CD2-CG2 4.32Å; L282-A336 HydrophobicContact CD1-CB 3.31Å; L282-A336 HydrophobicContact CD2-CB 3.44Å; L282-A336 VanDerWaalsContact CD2-CB 3.44Å; L282-A336 HydrophobicContact CG-CB 4Å
283S85.7Confident87Confident86 Ų8677.2 Ų77.260%0.60140%0.402SS*.Hα-helixtrans-77.7-33.4165.178.10000111.6S279 E280 A281S279-S283 PolarHBondContact O-N 3.25Å; E280-S283 WeakPolarHBondContact O-CA 3.22Å; E280-S283 WeakPolarHBondContact O-CB 3.49Å; E280-S283 PolarHBondContact O-N 3.49Å; E280-S283 PolarHBondContact O-OG 3.44Å; A281-S283 VanDerWaalsContact C-N 3.34Å
284E86.5Confident87.1Confident84 Ų8472.6 Ų72.639%0.39338%0.381SS..Hα-helixtrans-76.7-24177.1-59.5-173.814600113.3E280 A281 D286 D287 F290E280-E284 PolarHBondContact O-N 2.96Å; A281-E284 PolarHBondContact O-N 3.38Å; E284-D286 PolarHBondContact O-N 3.05Å; E284-D287 WeakPolarHBondContact O-CA 3.48Å; E284-D287 WeakPolarHBondContact O-CB 3.38Å; E284-D287 PolarHBondContact O-N 2.87Å; E284-F290 HydrophobicContact CB-CB 4.24Å; E284-F290 HydrophobicContact CB-CD1 3.81Å; E284-F290 HydrophobicContact CB-CD2 3.9Å; E284-F290 HydrophobicContact CB-CE1 4.05Å; E284-F290 HydrophobicContact CB-CE2 4.14Å; E284-F290 HydrophobicContact CB-CG 3.73Å; E284-F290 HydrophobicContact CB-CZ 4.21Å; E284-F290 WeakPolarHBondContact O-CD1 3.39Å; E284-F290 WeakPolarHBondContact OE2-CD2 3.2Å; E284-F290 WeakPolarHBondContact OE2-CE2 3.23Å
285V83.7Confident87.3Confident9 Ų969.3 Ų69.36%0.05537%0.367CS..THydrogen-bonded Turntrans-59.3-17.5176.1156.80000114.1A281 L282 F290 N291 L337 R446A281-V285 WeakPolarHBondContact O-CG2 3.41Å; A281-V285 PolarHBondContact O-N 2.96Å; L282-V285 HydrophobicContact CD2-CG2 4.32Å; V285-F290 HydrophobicContact CG2-CE1 4.23Å; V285-N291 PolarHBondContact O-ND2 2.96Å; V285-L337 HydrophobicContact CG1-CD2 3.76Å; V285-L337 HydrophobicContact CG2-CD2 4.48Å; V285-R446 PolarHBondContact O-NH1 3.38Å
286D82.8Confident87.5Confident103 Ų10375.2 Ų75.255%0.55139%0.387SS*.THydrogen-bonded Turntrans-96.7-11.1170.3-80.9-18.3000114.2E284 R446E284-D286 PolarHBondContact O-N 3.05Å; D286-R446 IonicContact OD1-CZ 2.86Å; D286-R446 IonicContact OD1-NH2 3.41Å; D286-R446 PolarHBondContact OD1-NH2 3.15Å
287D91.2Very high87.5Confident88 Ų8873.2 Ų73.247%0.47138%0.377SS..  trans-71.6132.1169.9-158.8-48.6000110.6E284 E289 F290 N291E284-D287 WeakPolarHBondContact O-CA 3.48Å; E284-D287 WeakPolarHBondContact O-CB 3.38Å; E284-D287 PolarHBondContact O-N 2.87Å; D287-E289 PolarHBondContact OD1-N 3.04Å; D287-F290 HydrophobicContact CB-CB 4.18Å; D287-N291 PolarHBondContact O-N 3.13Å; D287-N291 PolarHBondContact O-ND2 3.18Å
288T89.4Confident87.8Confident60 Ų6069.4 Ų69.437%0.36836%0.357SS..Hα-helixtrans-78-27.2-176.2-55.40000111.7L292 F447 K450T288-L292 HydrophobicContact CG2-CD1 4.41Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.47Å; T288-L292 PolarHBondContact O-N 3.1Å; T288-L292 VanDerWaalsContact O-N 3.12Å; T288-F447 HydrophobicContact CG2-CE1 3.69Å; T288-F447 HydrophobicContact CG2-CZ 4.28Å; T288-K450 PolarHBondContact OG1-NZ 3.04Å
289E90.8Very high87.9Confident158 Ų15871.5 Ų71.574%0.73837%0.366SS*.Hα-helixtrans-71.8-43.5176.9-171.6165.4-170.400111.5D287 N291 L292 M293D287-E289 PolarHBondContact OD1-N 3.04Å; E289-N291 PolarHBondContact O-N 2.93Å; E289-L292 PolarHBondContact O-N 3.4Å; E289-L292 VanDerWaalsContact O-N 3.13Å; E289-M293 PolarHBondContact O-N 3.5Å
290F90.4Very high88.1Confident32 Ų3274.9 Ų74.914%0.1437%0.368CS..Hα-helixtrans-59.1-45173.4179.9-101.2000112.4E284 V285 D287 L292 M293 L294E284-F290 HydrophobicContact CB-CB 4.24Å; E284-F290 HydrophobicContact CB-CD1 3.81Å; E284-F290 HydrophobicContact CB-CD2 3.9Å; E284-F290 HydrophobicContact CB-CE1 4.05Å; E284-F290 HydrophobicContact CB-CE2 4.14Å; E284-F290 HydrophobicContact CB-CG 3.73Å; E284-F290 HydrophobicContact CB-CZ 4.21Å; E284-F290 WeakPolarHBondContact O-CD1 3.39Å; E284-F290 WeakPolarHBondContact OE2-CD2 3.2Å; E284-F290 WeakPolarHBondContact OE2-CE2 3.23Å; V285-F290 HydrophobicContact CG2-CE1 4.23Å; D287-F290 HydrophobicContact CB-CB 4.18Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 3.26Å; F290-M293 HydrophobicContact CD2-CE 3.72Å; F290-M293 HydrophobicContact CE2-CE 4.02Å; F290-M293 WeakPolarHBondContact O-CB 3.29Å; F290-M293 PolarHBondContact O-N 3.03Å; F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.48Å; F290-L294 HydrophobicContact CE1-CD1 3.49Å; F290-L294 VanDerWaalsContact CE1-CD1 3.49Å; F290-L294 HydrophobicContact CE1-CG 4.17Å; F290-L294 HydrophobicContact CZ-CD1 3.97Å; F290-L294 HydrophobicContact CZ-CD2 4.48Å; F290-L294 HydrophobicContact CZ-CG 4.31Å; F290-L294 PolarHBondContact O-N 3.48Å
291N90.4Very high88.3Confident10 Ų1071.4 Ų71.45%0.05335%0.353CS..Hα-helixtrans-62.1-36.2175.1-79.6-94.5000112.3V285 D287 E289 L295V285-N291 PolarHBondContact O-ND2 2.96Å; D287-N291 PolarHBondContact O-N 3.13Å; D287-N291 PolarHBondContact O-ND2 3.18Å; E289-N291 PolarHBondContact O-N 2.93Å; N291-L295 PolarHBondContact O-N 2.93Å
292L90.1Very high88.3Confident76 Ų7672.7 Ų72.740%0.39836%0.356SS..Hα-helixtrans-71.3-34.9175.2-72.8168.5000112.4T288 E289 F290 L295 R296 F447T288-L292 HydrophobicContact CG2-CD1 4.41Å; T288-L292 VanDerWaalsContact O-CG 3.28Å; T288-L292 WeakPolarHBondContact O-CG 3.47Å; T288-L292 PolarHBondContact O-N 3.1Å; T288-L292 VanDerWaalsContact O-N 3.12Å; E289-L292 PolarHBondContact O-N 3.4Å; E289-L292 VanDerWaalsContact O-N 3.13Å; F290-L292 VanDerWaalsContact C-N 3.31Å; F290-L292 PolarHBondContact O-N 3.26Å; L292-L295 HydrophobicContact CD2-CD1 4.38Å; L292-L295 PolarHBondContact O-N 3.01Å; L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.96Å; L292-F447 HydrophobicContact CD2-CE1 4.29Å; L292-F447 HydrophobicContact CD2-CZ 3.87Å; L292-F447 HydrophobicContact CG-CE1 4.48Å; L292-F447 HydrophobicContact CG-CZ 4.07Å
293M93.2Very high88.5Confident109 Ų10974.1 Ų74.154%0.53736%0.362SS..Hα-helixtrans-62.8-45.7171.8-177.4177.866.700111.2E289 F290 L295 R296 L297E289-M293 PolarHBondContact O-N 3.5Å; F290-M293 HydrophobicContact CD2-CE 3.72Å; F290-M293 HydrophobicContact CE2-CE 4.02Å; F290-M293 WeakPolarHBondContact O-CB 3.29Å; F290-M293 PolarHBondContact O-N 3.03Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.25Å; M293-R296 PolarHBondContact O-N 3.46Å; M293-L297 WeakPolarHBondContact O-CB 3.47Å; M293-L297 PolarHBondContact O-N 2.89Å
294L91.4Very high88.1Confident25 Ų2575.6 Ų75.613%0.13136%0.363CS..Hα-helixtrans-61.1-39.3174.5-70.2179.3000112.4F290 L297 A298 L328F290-L294 HydrophobicContact CD1-CD1 4Å; F290-L294 HydrophobicContact CD1-CG 4.48Å; F290-L294 HydrophobicContact CE1-CD1 3.49Å; F290-L294 VanDerWaalsContact CE1-CD1 3.49Å; F290-L294 HydrophobicContact CE1-CG 4.17Å; F290-L294 HydrophobicContact CZ-CD1 3.97Å; F290-L294 HydrophobicContact CZ-CD2 4.48Å; F290-L294 HydrophobicContact CZ-CG 4.31Å; F290-L294 PolarHBondContact O-N 3.48Å; L294-L297 PolarHBondContact O-N 3.09Å; L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.19Å; L294-A298 PolarHBondContact O-N 3.22Å; L294-L328 HydrophobicContact CD2-CD1 4.01Å
295L89.7Confident87.1Confident31 Ų3175.2 Ų75.216%0.16237%0.367CS..Hα-helixtrans-63.8-43173.9-83.2171.7000112.7N291 L292 M293 A298 K299 I440 L443 F447N291-L295 PolarHBondContact O-N 2.93Å; L292-L295 HydrophobicContact CD2-CD1 4.38Å; L292-L295 PolarHBondContact O-N 3.01Å; M293-L295 VanDerWaalsContact C-N 3.34Å; M293-L295 PolarHBondContact O-N 3.25Å; L295-A298 PolarHBondContact O-N 2.81Å; L295-K299 PolarHBondContact O-N 3.13Å; L295-I440 HydrophobicContact CD2-CG1 4.39Å; L295-L443 HydrophobicContact CD1-CB 4.33Å; L295-L443 HydrophobicContact CD2-CB 3.92Å; L295-L443 HydrophobicContact CD2-CD1 3.61Å; L295-L443 HydrophobicContact CD2-CG 4.4Å; L295-L443 HydrophobicContact CG-CB 4.31Å; L295-L443 HydrophobicContact CG-CD1 3.92Å; L295-F447 HydrophobicContact CD1-CE2 3.73Å; L295-F447 HydrophobicContact CD1-CZ 4.41Å
296R92.1Very high86.2Confident177 Ų17776.8 Ų76.867%0.66839%0.385SS*.Hα-helixtrans-62.3-44.8175.3-73.6172.1177.1174.1-0.9111.1L292 M293 K299 Y300L292-R296 WeakPolarHBondContact O-CG 3.28Å; L292-R296 PolarHBondContact O-N 2.96Å; M293-R296 PolarHBondContact O-N 3.46Å; R296-K299 WeakPolarHBondContact O-CB 3.35Å; R296-K299 PolarHBondContact O-N 3.18Å; R296-Y300 WeakPolarHBondContact O-CD2 3.48Å; R296-Y300 PolarHBondContact O-N 2.69Å
297L91.5Very high85.1Confident64 Ų6479.4 Ų79.434%0.33539%0.393SS..Hα-helixtrans-61.8-44.7177.5-171.263000111.8M293 L294 K299 Y300 L301M293-L297 WeakPolarHBondContact O-CB 3.47Å; M293-L297 PolarHBondContact O-N 2.89Å; L294-L297 PolarHBondContact O-N 3.09Å; L297-K299 VanDerWaalsContact C-N 3.32Å; L297-K299 PolarHBondContact O-N 3.43Å; L297-Y300 PolarHBondContact O-N 3.35Å; L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å
298A92Very high83.4Confident3 Ų379.9 Ų79.93%0.02540%0.4CS..Hα-helixtrans-61-37.4173.100000112.8L294 L295 L302 L436L294-A298 VanDerWaalsContact O-CB 3.32Å; L294-A298 WeakPolarHBondContact O-CB 3.19Å; L294-A298 PolarHBondContact O-N 3.22Å; L295-A298 PolarHBondContact O-N 2.81Å; A298-L302 WeakPolarHBondContact O-CG 3.45Å; A298-L302 PolarHBondContact O-N 3.14Å; A298-L436 HydrophobicContact CB-CD1 3.8Å; A298-L436 HydrophobicContact CB-CG 4.46Å
299K88.7Confident82.2Confident132 Ų13285.2 Ų85.257%0.57442%0.418SS*.Hα-helixtrans-64.4-49.1175-173.7-173175.7-1700111.6L295 R296 L297 L301 L302 M303L295-K299 PolarHBondContact O-N 3.13Å; R296-K299 WeakPolarHBondContact O-CB 3.35Å; R296-K299 PolarHBondContact O-N 3.18Å; L297-K299 VanDerWaalsContact C-N 3.32Å; L297-K299 PolarHBondContact O-N 3.43Å; K299-L301 PolarHBondContact O-N 2.81Å; K299-L302 PolarHBondContact O-N 2.74Å; K299-L302 VanDerWaalsContact O-N 3.11Å; K299-M303 HydrophobicContact CD-SD 4.36Å; K299-M303 HydrophobicContact CG-SD 4.12Å; K299-M303 WeakPolarHBondContact O-CG 3.28Å; K299-M303 PolarHBondContact O-N 3.05Å
300Y86.1Confident80.8Confident147 Ų14784.9 Ų84.958%0.57642%0.421SS*.Hα-helixtrans-59.6-46178.3-72.5-62.3000111.7R296 L297 L302 M303 D304R296-Y300 WeakPolarHBondContact O-CD2 3.48Å; R296-Y300 PolarHBondContact O-N 2.69Å; L297-Y300 PolarHBondContact O-N 3.35Å; Y300-L302 PolarHBondContact O-N 3.28Å; Y300-L302 VanDerWaalsContact O-N 3.12Å; Y300-M303 PolarHBondContact O-N 2.87Å; Y300-D304 PolarHBondContact O-N 3.21Å
301L86.7Confident79.1Confident25 Ų2590.5 Ų90.513%0.13145%0.451CS..Hα-helixtrans-64.2-15.8177-67.8169000114.4L297 K299 V305 L325 L328L297-L301 HydrophobicContact CG-CD1 4.2Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 VanDerWaalsContact O-CG 3.3Å; L297-L301 WeakPolarHBondContact O-CG 3.4Å; L297-L301 PolarHBondContact O-N 3.01Å; K299-L301 PolarHBondContact O-N 2.81Å; L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L301-L325 HydrophobicContact CB-CD2 4.46Å; L301-L325 HydrophobicContact CD1-CD2 3.93Å; L301-L325 HydrophobicContact CD1-CG 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.14Å; L301-L328 HydrophobicContact CD1-CD2 3.94Å
302L83.6Confident77.4Confident54 Ų5499.4 Ų99.428%0.28349%0.489SS..Hα-helixtrans-88.4-38.1168.7-77.2171000112.5A298 K299 Y300 V305 G306 L436 I440A298-L302 WeakPolarHBondContact O-CG 3.45Å; A298-L302 PolarHBondContact O-N 3.14Å; K299-L302 PolarHBondContact O-N 2.74Å; K299-L302 VanDerWaalsContact O-N 3.11Å; Y300-L302 PolarHBondContact O-N 3.28Å; Y300-L302 VanDerWaalsContact O-N 3.12Å; L302-V305 PolarHBondContact O-N 3.48Å; L302-G306 PolarHBondContact O-N 3.21Å; L302-L436 HydrophobicContact CD1-CD2 4.2Å; L302-L436 HydrophobicContact CD1-CG 4.16Å; L302-L436 HydrophobicContact CD2-CB 4.45Å; L302-L436 HydrophobicContact CD2-CD2 3.81Å; L302-L436 HydrophobicContact CD2-CG 4.3Å; L302-L436 HydrophobicContact CG-CD2 3.65Å; L302-L436 HydrophobicContact CG-CG 4.15Å; L302-I440 HydrophobicContact CD1-CD1 3.55Å
303M83.2Confident75.7Confident83 Ų83103.2 Ų103.241%0.40951%0.505SS..Hα-helixtrans-64.7-45.5-179.9-71.3-18063.700111.4K299 Y300 V305 G306K299-M303 HydrophobicContact CD-SD 4.36Å; K299-M303 HydrophobicContact CG-SD 4.12Å; K299-M303 WeakPolarHBondContact O-CG 3.28Å; K299-M303 PolarHBondContact O-N 3.05Å; Y300-M303 PolarHBondContact O-N 2.87Å; M303-V305 PolarHBondContact O-N 3.46Å; M303-G306 PolarHBondContact O-N 3.13Å
304D76Confident73.7Confident118 Ų118105 Ų10563%0.63152%0.517SS*.Hα-helixtrans-55.6-24.2176.8-67.3-10.6000113.5Y300Y300-D304 PolarHBondContact O-N 3.21Å
305V67Low71.7Confident76 Ų76108.3 Ų108.346%0.46154%0.541SS..Hα-helixtrans-88.8-26.1179.2179.10000112L301 L302 M303 T308L301-V305 WeakPolarHBondContact O-CG2 3.3Å; L302-V305 PolarHBondContact O-N 3.48Å; M303-V305 PolarHBondContact O-N 3.46Å; V305-T308 PolarHBondContact O-OG1 3.39Å
306G63.3Low70.1Confident42 Ų42117.4 Ų117.443%0.43358%0.579SS.*Hα-helixtrans-77.6-28.6-169.600000115.8L302 M303 K309L302-G306 PolarHBondContact O-N 3.21Å; M303-G306 PolarHBondContact O-N 3.13Å; G306-K309 WeakPolarHBondContact O-CE 3.47Å
307E59.7Low68.5Low157 Ų157117 Ų11773%0.73458%0.582SS**SBendtrans-92.3-9.9-166.7-63.2-178.4-178.100114.2K309E307-K309 PolarHBondContact O-N 3.12Å
308T57Low66.8Low99 Ų99120.2 Ų120.261%0.60761%0.605SS**  trans-7829.1-170.456.50000115.7V305 D310V305-T308 PolarHBondContact O-OG1 3.39Å; T308-D310 PolarHBondContact O-N 3.33Å
309K63.3Low64.9Low172 Ų172125.6 Ų125.675%0.74863%0.633SS**THydrogen-bonded Turntrans-74.4-24.6-166.8-71179.3-177.6168.30115.9G306 E307G306-K309 WeakPolarHBondContact O-CE 3.47Å; E307-K309 PolarHBondContact O-N 3.12Å
310D62.2Low63.4Low151 Ų151127.5 Ų127.581%0.80764%0.641SS**THydrogen-bonded Turntrans-108.7-1.5-167.8-65.5-60000115.9T308 K312T308-D310 PolarHBondContact O-N 3.33Å; D310-K312 PolarHBondContact O-N 2.9Å; D310-K312 VanDerWaalsContact O-N 3.07Å
311I54.3Low62Low150 Ų150124 Ų12477%0.76964%0.635SS**  trans-8877.5-177.9-50.7-177.1000111.6Q313I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3Å; I311-Q313 VanDerWaalsContact O-N 3.17Å
312K53.4Low61.1Low196 Ų196125 Ų12585%0.85265%0.645SS**  trans-81.756.9171.7-71-176.9178.9170.20113.7D310D310-K312 PolarHBondContact O-N 2.9Å; D310-K312 VanDerWaalsContact O-N 3.07Å
313Q55.1Low60.5Low156 Ų156130.4 Ų130.473%0.72967%0.668SS**SBendtrans-162.4140.1162.7-117.9158.3-22.200116.4I311 C315I311-Q313 VanDerWaalsContact C-N 3.32Å; I311-Q313 PolarHBondContact O-N 3Å; I311-Q313 VanDerWaalsContact O-N 3.17Å; Q313-C315 PolarHBondContact O-N 3.36Å
314D50.9Low59.5Low148 Ų148128.6 Ų128.679%0.79166%0.663SS**  trans3768.5150.1-62.6-37.9000119.8
315C50.5Low59.1Low93 Ų93125.8 Ų125.863%0.62865%0.648SS**  trans-12778.6158.3-960000113Q313 K317Q313-C315 PolarHBondContact O-N 3.36Å; C315-K317 PolarHBondContact O-N 3.5Å
316K54.7Low59.5Low222 Ų222125.6 Ų125.697%0.96564%0.642SS**  trans-69.966.7156.9-73.3-177.7179.2173.60110.4
317K59.7Low60Low169 Ų169126.1 Ų126.174%0.73564%0.642SS**  trans-106.8136.2170.2-74.7174.8-178.6162.90108.6C315C315-K317 PolarHBondContact O-N 3.5Å
318T54.9Low60.7Low132 Ų132119.3 Ų119.381%0.8161%0.611SS**  trans-68147.3-170.941.50000112.2K320T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.02Å
319N53.5Low61.7Low115 Ų115118.6 Ų118.662%0.61560%0.599SS**  trans-62.783.5177.6-68.412.3000111.1T321 N425N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 3.31Å; N319-N425 PolarHBondContact ND2-OD1 3.25Å
320K56.6Low62.4Low173 Ų173114.1 Ų114.175%0.75259%0.586SS**  trans-82.384.4150-75.3-164169.1-152.50107.6T318 S322T318-K320 VanDerWaalsContact C-N 3.27Å; T318-K320 PolarHBondContact O-N 3.02Å; K320-S322 PolarHBondContact O-N 3.05Å
321T57.3Low62.9Low74 Ų74108.9 Ų108.945%0.45456%0.56SS.*  trans-50.5131.4148.939.90000106.6N319 E323N319-T321 VanDerWaalsContact C-N 3.31Å; N319-T321 PolarHBondContact O-N 3.31Å; T321-E323 PolarHBondContact O-N 3.43Å
322S66.5Low63.9Low46 Ų46103.6 Ų103.632%0.32253%0.533SS..  trans-61.2139.5-176.558.70000108.9K320 C324 L325 E326K320-S322 PolarHBondContact O-N 3.05Å; S322-C324 PolarHBondContact O-N 3.48Å; S322-L325 PolarHBondContact O-N 3.26Å; S322-L325 WeakPolarHBondContact OG-CG 3.46Å; S322-L325 PolarHBondContact OG-N 3.19Å; S322-E326 PolarHBondContact O-N 2.68Å
323E71.8Confident65.1Low166 Ų16699.8 Ų99.878%0.77652%0.522SS*.Hα-helixtrans-55.5-28.1176.7-67.5163.7-159.800110.3T321 A327T321-E323 PolarHBondContact O-N 3.43Å; E323-A327 VanDerWaalsContact O-CB 3.23Å; E323-A327 WeakPolarHBondContact O-CB 3.22Å; E323-A327 PolarHBondContact O-N 3.13Å
324C61Low66Low46 Ų4693.3 Ų93.331%0.31149%0.494SS..Hα-helixtrans-58.7-42.7168-172.70000115.1S322 L328S322-C324 PolarHBondContact O-N 3.48Å; C324-L328 WeakPolarHBondContact O-CB 3.17Å; C324-L328 PolarHBondContact O-N 3.33Å
325L69.5Low66.5Low59 Ų5991.2 Ų91.231%0.30948%0.483SS..Hα-helixtrans-68.9-42.9179-87.9167.3000111.7L301 S322 L328 K329L301-L325 HydrophobicContact CB-CD2 4.46Å; L301-L325 HydrophobicContact CD1-CD2 3.93Å; L301-L325 HydrophobicContact CD1-CG 4.15Å; L301-L325 HydrophobicContact CD2-CG 4.14Å; S322-L325 PolarHBondContact O-N 3.26Å; S322-L325 WeakPolarHBondContact OG-CG 3.46Å; S322-L325 PolarHBondContact OG-N 3.19Å; L325-L328 PolarHBondContact O-N 3.43Å; L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.26Å
326E74.3Confident66.9Low72 Ų7288 Ų8834%0.33646%0.463SS..Hα-helixtrans-69.9-34.6175.9-70.7-61.9151.600111.9S322 K329 T330S322-E326 PolarHBondContact O-N 2.68Å; E326-K329 IonicContact OE1-NZ 3.72Å; E326-K329 PolarHBondContact OE1-NZ 3.1Å; E326-K329 WeakPolarHBondContact OE2-CD 3.36Å; E326-K329 WeakPolarHBondContact OE2-CE 3.39Å; E326-K329 IonicContact OE2-NZ 3.6Å; E326-K329 PolarHBondContact OE2-NZ 3.02Å; E326-T330 VanDerWaalsContact O-CB 3.3Å; E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.44Å; E326-T330 PolarHBondContact O-OG1 2.77Å
327A73.2Confident67.1Low53 Ų5380.2 Ų80.244%0.43843%0.431SS..Hα-helixtrans-64.1-47.8170.800000112E323 K329 T330 V331E323-A327 VanDerWaalsContact O-CB 3.23Å; E323-A327 WeakPolarHBondContact O-CB 3.22Å; E323-A327 PolarHBondContact O-N 3.13Å; A327-K329 PolarHBondContact O-N 3.38Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.13Å; A327-V331 WeakPolarHBondContact O-CG2 3.48Å; A327-V331 PolarHBondContact O-N 3.04Å
328L75.3Confident67Low13 Ų1375.7 Ų75.77%0.06842%0.42CS..Hα-helixtrans-58.9-48.3177.3179.660.2000111L294 L301 C324 L325 T330 V331 L332L294-L328 HydrophobicContact CD2-CD1 4.01Å; L301-L328 HydrophobicContact CD1-CD2 3.94Å; C324-L328 WeakPolarHBondContact O-CB 3.17Å; C324-L328 PolarHBondContact O-N 3.33Å; L325-L328 PolarHBondContact O-N 3.43Å; L328-T330 PolarHBondContact O-N 3.48Å; L328-V331 PolarHBondContact O-N 3.32Å; L328-L332 HydrophobicContact CD1-CD1 3.74Å; L328-L332 HydrophobicContact CD1-CG 4.37Å; L328-L332 HydrophobicContact CG-CD1 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.16Å; L328-L332 VanDerWaalsContact O-CD1 3.28Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.08Å
329K78.1Confident67.2Low85 Ų8575.8 Ų75.837%0.3741%0.409SS..Hα-helixtrans-56.5-45.5172.9175.9176.2156.9-148.90112.1L325 E326 A327 V331 L332 D333L325-K329 WeakPolarHBondContact O-CB 3.4Å; L325-K329 PolarHBondContact O-N 3.26Å; E326-K329 IonicContact OE1-NZ 3.72Å; E326-K329 PolarHBondContact OE1-NZ 3.1Å; E326-K329 WeakPolarHBondContact OE2-CD 3.36Å; E326-K329 WeakPolarHBondContact OE2-CE 3.39Å; E326-K329 IonicContact OE2-NZ 3.6Å; E326-K329 PolarHBondContact OE2-NZ 3.02Å; A327-K329 PolarHBondContact O-N 3.38Å; K329-V331 PolarHBondContact O-N 3.22Å; K329-L332 PolarHBondContact O-N 3.49Å; K329-L332 VanDerWaalsContact O-N 3.13Å; K329-D333 WeakPolarHBondContact O-CB 3.45Å; K329-D333 PolarHBondContact O-N 3.36Å
330T77.2Confident67.3Low78 Ų7873.5 Ų73.548%0.47940%0.397SS..Hα-helixtrans-62.2-39.2176.9-590000112.8E326 A327 L328 L332 S334E326-T330 VanDerWaalsContact O-CB 3.3Å; E326-T330 WeakPolarHBondContact O-CB 3.48Å; E326-T330 PolarHBondContact O-N 3.44Å; E326-T330 PolarHBondContact O-OG1 2.77Å; A327-T330 WeakPolarHBondContact O-CB 3.46Å; A327-T330 PolarHBondContact O-N 3.13Å; L328-T330 PolarHBondContact O-N 3.48Å; T330-L332 VanDerWaalsContact C-N 3.33Å; T330-S334 PolarHBondContact O-N 3.41Å
331V74.2Confident66.9Low41 Ų4172.8 Ų72.825%0.24839%0.39CS..Hα-helixtrans-64.9-38.6174.2170.20000111.1A327 L328 K329 S334 L337A327-V331 WeakPolarHBondContact O-CG2 3.48Å; A327-V331 PolarHBondContact O-N 3.04Å; L328-V331 PolarHBondContact O-N 3.32Å; K329-V331 PolarHBondContact O-N 3.22Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.79Å; V331-S334 PolarHBondContact O-OG 3.23Å; V331-L337 WeakPolarHBondContact O-CD1 3.39Å
332L75.2Confident66.8Low39 Ų3978.6 Ų78.620%0.20440%0.403CS..Hα-helixtrans-81.5-40.1-174.3-68.3163.2000113.6L328 K329 T330 S334 L337 I439L328-L332 HydrophobicContact CD1-CD1 3.74Å; L328-L332 HydrophobicContact CD1-CG 4.37Å; L328-L332 HydrophobicContact CG-CD1 3.73Å; L328-L332 WeakPolarHBondContact O-CB 3.16Å; L328-L332 VanDerWaalsContact O-CD1 3.28Å; L328-L332 WeakPolarHBondContact O-CD1 3.33Å; L328-L332 WeakPolarHBondContact O-CG 3.24Å; L328-L332 PolarHBondContact O-N 3.08Å; K329-L332 PolarHBondContact O-N 3.49Å; K329-L332 VanDerWaalsContact O-N 3.13Å; T330-L332 VanDerWaalsContact C-N 3.33Å; L332-S334 PolarHBondContact O-N 3.48Å; L332-L337 HydrophobicContact CD2-CD1 4.17Å; L332-I439 HydrophobicContact CD1-CD1 3.53Å; L332-I439 HydrophobicContact CD1-CG1 4.09Å; L332-I439 HydrophobicContact CD1-CG2 4.07Å; L332-I439 HydrophobicContact CD2-CG1 4.39Å; L332-I439 HydrophobicContact CD2-CG2 3.86Å
333D76.9Confident66.3Low115 Ų11585.1 Ų85.162%0.61542%0.421SS*.SBendtrans-69.9-7.9169.8-72.4-28.5000112K329 N335K329-D333 WeakPolarHBondContact O-CB 3.45Å; K329-D333 PolarHBondContact O-N 3.36Å; D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 VanDerWaalsContact O-N 3.13Å
334S74.4Confident65.5Low20 Ų2082 Ų8214%0.1441%0.409CS..  trans-60.4120.3177.485.20000110.7T330 V331 L332 A336 L337T330-S334 PolarHBondContact O-N 3.41Å; V331-S334 WeakPolarHBondContact O-CB 3.48Å; V331-S334 PolarHBondContact O-N 2.79Å; V331-S334 PolarHBondContact O-OG 3.23Å; L332-S334 PolarHBondContact O-N 3.48Å; S334-A336 PolarHBondContact O-N 2.73Å; S334-L337 PolarHBondContact O-N 2.83Å; S334-L337 VanDerWaalsContact O-N 3.17Å
335N61.8Low65.3Low105 Ų10584.1 Ų84.156%0.56142%0.418SS*.Hα-helixtrans-53.9-13.2-171.8-108-71.7000115.6D333 K339D333-N335 PolarHBondContact O-N 2.89Å; D333-N335 VanDerWaalsContact O-N 3.13Å; N335-K339 WeakPolarHBondContact O-CB 3.48Å; N335-K339 WeakPolarHBondContact O-CG 3.44Å; N335-K339 PolarHBondContact O-N 3.06Å
336A59.2Low64.7Low25 Ų2588.8 Ų88.821%0.20744%0.436CS..Hα-helixtrans-77.7-35.6-179.500000113.7L282 S334 C338 K339 N340L282-A336 HydrophobicContact CD1-CB 3.31Å; L282-A336 HydrophobicContact CD2-CB 3.44Å; L282-A336 VanDerWaalsContact CD2-CB 3.44Å; L282-A336 HydrophobicContact CG-CB 4Å; S334-A336 PolarHBondContact O-N 2.73Å; A336-C338 VanDerWaalsContact C-N 3.28Å; A336-C338 PolarHBondContact O-N 2.86Å; A336-K339 PolarHBondContact O-N 3.19Å; A336-K339 VanDerWaalsContact O-N 3.17Å; A336-N340 PolarHBondContact O-N 2.95Å; A336-N340 VanDerWaalsContact O-N 3.11Å
337L58.4Low63.9Low58 Ų5893.3 Ų93.330%0.30445%0.454SS..Hα-helixtrans-58.5-45.3169.6-73168.3000109.9V285 V331 L332 S334 K339V285-L337 HydrophobicContact CG1-CD2 3.76Å; V285-L337 HydrophobicContact CG2-CD2 4.48Å; V331-L337 WeakPolarHBondContact O-CD1 3.39Å; L332-L337 HydrophobicContact CD2-CD1 4.17Å; S334-L337 PolarHBondContact O-N 2.83Å; S334-L337 VanDerWaalsContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.32Å
338C57.9Low62.9Low75 Ų7597.1 Ų97.151%0.50746%0.463SS..Hα-helixtrans-65.3-34.4174.2-67.30000114A336A336-C338 VanDerWaalsContact C-N 3.28Å; A336-C338 PolarHBondContact O-N 2.86Å
339K59.7Low61.7Low133 Ų133103.4 Ų103.458%0.57849%0.492SS*.Hα-helixtrans-71.9-31.6179.6-81.8169.1-179-175.50113.4N335 A336 L337 R341 R342N335-K339 WeakPolarHBondContact O-CB 3.48Å; N335-K339 WeakPolarHBondContact O-CG 3.44Å; N335-K339 PolarHBondContact O-N 3.06Å; A336-K339 PolarHBondContact O-N 3.19Å; A336-K339 VanDerWaalsContact O-N 3.17Å; L337-K339 PolarHBondContact O-N 3.32Å; K339-R341 VanDerWaalsContact C-N 3.28Å; K339-R341 PolarHBondContact O-N 3.14Å; K339-R342 PolarHBondContact O-N 2.78Å
340N55.7Low60.5Low68 Ų68109 Ų10936%0.36451%0.512SS..Hα-helixtrans-63-34.2177.7-83.4-17.3000112.3A336 R343A336-N340 PolarHBondContact O-N 2.95Å; A336-N340 VanDerWaalsContact O-N 3.11Å; N340-R343 PolarHBondContact O-N 3.23Å
341R46.7Very low59.5Low158 Ų158108.2 Ų108.260%0.59651%0.51SS*.Hα-helixtrans-55.3-52.7173.1-171.4176.6-177.8162.84.4112.5K339 R343 N344 D345K339-R341 VanDerWaalsContact C-N 3.28Å; K339-R341 PolarHBondContact O-N 3.14Å; R341-R343 PolarHBondContact O-N 3.22Å; R341-N344 PolarHBondContact O-N 3.1Å; R341-D345 PolarHBondContact O-N 3.01Å
342R55.4Low58.5Low195 Ų195112.4 Ų112.474%0.73653%0.531SS*.Hα-helixtrans-60.8-18.5-178.6-66.6-171.8-179.2-173.31.3114.6K339K339-R342 PolarHBondContact O-N 2.78Å
343R56.5Low57.5Low183 Ų183117.2 Ų117.269%0.69156%0.557SS**Hα-helixtrans-84.4-21.5176-74.1-179.4167.9174.6-4.6113.4N340 R341N340-R343 PolarHBondContact O-N 3.23Å; R341-R343 PolarHBondContact O-N 3.22Å
344N54.4Low56.3Low100 Ų100119.6 Ų119.654%0.53557%0.569SS.*Hα-helixtrans-92.5-42.3179.8-67.8-7.2000111R341 K346 K347 Q348R341-N344 PolarHBondContact O-N 3.1Å; N344-K346 PolarHBondContact O-N 3.2Å; N344-K347 PolarHBondContact O-N 2.66Å; N344-Q348 PolarHBondContact O-N 2.77Å
345D57.3Low54.9Low92 Ų92127.4 Ų127.449%0.49260%0.6SS.*Hα-helixtrans-51.5-45.4176.2-56.3-30.2000111.1R341 K347 Q348R341-D345 PolarHBondContact O-N 3.01Å; D345-K347 PolarHBondContact O-N 3.29Å; D345-Q348 PolarHBondContact O-N 2.93Å
346K57.9Low54.1Low156 Ų156127.7 Ų127.768%0.67861%0.609SS**Hα-helixtrans-68.8-7.3177.5-73.4-161.7170.1-154.30116.1N344N344-K346 PolarHBondContact O-N 3.2Å
347K56.6Low53.5Low168 Ų168133 Ų13373%0.7363%0.634SS**Hα-helixtrans-96.9-19.1174.6-72.7-171.2174.3-172.30113.1N344 D345N344-K347 PolarHBondContact O-N 2.66Å; D345-K347 PolarHBondContact O-N 3.29Å
348Q51.4Low52.8Low133 Ų133135 Ų13562%0.62165%0.652SS**Hα-helixtrans-73.8-35173-154.174.330.100111.1N344 D345 Y350 S351N344-Q348 PolarHBondContact O-N 2.77Å; D345-Q348 PolarHBondContact O-N 2.93Å; Q348-Y350 PolarHBondContact O-N 3.38Å; Q348-S351 PolarHBondContact O-N 3.03Å; Q348-S351 PolarHBondContact O-OG 2.6Å
349E51.6Low51.9Low145 Ų145139 Ų13968%0.67867%0.667SS**THydrogen-bonded Turntrans-66.7-4.2-174.6-158.9163.9-143.200115
350Y53.2Low51Low202 Ų202138.3 Ų138.379%0.79268%0.678SS**THydrogen-bonded Turntrans-114.4-2.5-178.7-87.6-87.7000115.2Q348Q348-Y350 PolarHBondContact O-N 3.38Å
351S54.4Low50.2Low62 Ų62140.7 Ų140.743%0.43470%0.7SS.*THydrogen-bonded Turntrans-81-29.9176.544.90000113.9Q348 N353Q348-S351 PolarHBondContact O-N 3.03Å; Q348-S351 PolarHBondContact O-OG 2.6Å; S351-N353 VanDerWaalsContact C-N 3.32Å; S351-N353 PolarHBondContact O-N 3.17Å
352D54.2Low50.3Low128 Ų128138.7 Ų138.768%0.68471%0.71SS**THydrogen-bonded Turntrans-91.810-156.2-60.25000113.8
353N53.2Low49.8Very low141 Ų141135.4 Ų135.475%0.75471%0.712SS**THydrogen-bonded Turntrans-111.87.9-176.9-82.4-55.4000114.9S351 K355S351-N353 VanDerWaalsContact C-N 3.32Å; S351-N353 PolarHBondContact O-N 3.17Å; N353-K355 PolarHBondContact O-N 3.27Å
354L51.7Low49.3Very low165 Ų165136.5 Ų136.586%0.86472%0.722SS**  trans-77.870.1173.9-80.6171.1000111.9C356L354-C356 PolarHBondContact O-N 3.38Å
355K45.6Very low48.9Very low183 Ų183137.6 Ų137.680%0.79674%0.735SS**  trans-69.198.6176.1-166172.9-174.6176.90110.3N353 N357N353-K355 PolarHBondContact O-N 3.27Å; K355-N357 PolarHBondContact O-N 3.32Å
356C45.5Very low48.7Very low112 Ų112142.1 Ų142.176%0.75775%0.75SS**  trans-75.691.4-174.6-169.10000112.3L354 C358L354-C356 PolarHBondContact O-N 3.38Å; C356-C358 VanDerWaalsContact C-N 3.27Å; C356-C358 PolarHBondContact O-N 3.11Å
357N45.7Very low47.9Very low135 Ų135141 Ų14172%0.72275%0.752SS**  trans-79.172.1169.5-73.71.7000110.8K355 L359K355-N357 PolarHBondContact O-N 3.32Å; N357-L359 PolarHBondContact O-N 3.49Å
358C44.6Very low47.5Very low100 Ų100140.7 Ų140.768%0.67675%0.752SS**  trans-86.585.5172.7-160.80000110.4C356 C360C356-C358 VanDerWaalsContact C-N 3.27Å; C356-C358 PolarHBondContact O-N 3.11Å; C358-C360 PolarHBondContact O-N 3.17Å
359L39.7Very low47.2Very low159 Ų159139.1 Ų139.183%0.83276%0.756SS**  trans-71106.1175.7-76.6168.4000110.4N357 S361N357-L359 PolarHBondContact O-N 3.49Å; L359-S361 PolarHBondContact O-N 2.93Å
360C38.8Very low47.2Very low120 Ų120140.5 Ų140.581%0.81176%0.762SS**  trans-78.999172-68.60000110.3C358C358-C360 PolarHBondContact O-N 3.17Å
361S40.6Very low47Very low117 Ų117137.7 Ų137.782%0.81876%0.761SS**  trans-103.896.3167.3-64.70000109.5L359L359-S361 PolarHBondContact O-N 2.93Å
362S47.2Very low46.7Very low116 Ų116139.8 Ų139.881%0.81177%0.771SS**  trans-127109.5170.1-172.90000108.6
363T45Very low46.6Very low127 Ų127141.1 Ų141.178%0.77978%0.777SS**  trans-114.4112.2-178.741.20000110.4
364F45.8Very low46.5Very low205 Ų205138.6 Ų138.690%0.89977%0.771SS**  trans-135.9154.5155.3-87.9-78.5000109.3
365P47.7Very low46.3Very low124 Ų124137.3 Ų137.381%0.80577%0.765SS**  trans-92.8-179-152.437.2-38.5000115.4
366K51.9Low46.6Very low187 Ų187135.2 Ų135.281%0.81376%0.758SS**  trans-65.1156.5-169.5-62.2178.7176.8-178.20116.2
367D41.3Very low46.7Very low132 Ų132135.1 Ų135.171%0.70675%0.75SS**  trans-36.7153.4155.4-38.9-81.5000115.9
368H47.6Very low46.9Very low162 Ų162139.8 Ų139.875%0.7576%0.759SS**  -175.2175.199.8-93.9-65.1000111.5
369S45.6Very low47Very low99 Ų99145.8 Ų145.869%0.69277%0.767SS**  trans62.8109.5-166.757.50000113.9
370E52.5Low47.2Very low174 Ų174147.9 Ų147.981%0.81377%0.77SS**  77135.367.2-67.8156.3-144.800111.6
371D49.2Very low47.7Very low144 Ų144145.9 Ų145.977%0.7776%0.762SS**  cis-156.6179.419.2-154.5-4.5000113.7
372V47.2Very low48Very low105 Ų105147.9 Ų147.964%0.63676%0.763SS**  trans75.3106154.4175.10000119.8
373L51.2Low48.3Very low157 Ų157150.7 Ų150.782%0.82276%0.763SS**  47.6146.9128.2-52.6-178.8000121.5
374S51.9Low48.9Very low88 Ų88150.6 Ų150.662%0.61577%0.765SS**  cis-177.2156.3-10.750.90000110.6
375N48.4Very low49.2Very low137 Ų137147.2 Ų147.273%0.73376%0.761SS**  trans64.8154155-74.219.5000118.4
376E51.2Low49.3Very low140 Ų140150 Ų15065%0.65476%0.76SS**  cis-154.5163.8-1.7-128.1170.5118.300113
377N47.7Very low49.2Very low109 Ų109150.1 Ų150.158%0.58376%0.764SS**  trans39121.8151.3-57.9-33.2000121.1
378Y49.1Very low49.7Very low234 Ų234150.8 Ų150.892%0.91877%0.767SS**  -165.516689.3-103.4-76000111.1
379R46.9Very low49.7Very low226 Ų226149 Ų14985%0.85376%0.76SS**  trans-145.9158.5-162.7-168.8-178.4-174.9-164.34111.6
380K45Very low49.9Very low203 Ų203154 Ų15488%0.88377%0.765SS**  trans83.7139-178.1-53.1171.6-177.4-179.50112.8
381A47.7Very low49.8Very low78 Ų78153.5 Ų153.565%0.64576%0.762SS**  cis-146.8-155.2-10.900000107.8
382D47.8Very low50.1Low158 Ų158153.6 Ų153.685%0.84576%0.758SS**  cis-147.4-161.115.2-73.6-77.7000110.8
383E52.6Low50.3Low175 Ų175156.8 Ų156.882%0.81876%0.758SS**PPolyproline II helixtrans-80.5152.7-173.4-58.7-173.6116.600116.3
384P58.1Low50.7Low126 Ų126153 Ų15382%0.81874%0.741SS**PPolyproline II helixtrans-91.5120.3157.234-28.7000112.3
385V52.8Low51.3Low134 Ų134153 Ų15381%0.81274%0.735SS**PPolyproline II helixtrans-77.9149.9175.5177.20000111.6
386K50.3Low52.1Low182 Ų182149.9 Ų149.979%0.79172%0.718SS**PPolyproline II helixtrans-78.6121-167.2-60.3168.7-175.5169.70113.7N388K386-N388 PolarHBondContact O-N 3.19Å
387E48.9Very low52.3Low190 Ų190150 Ų15089%0.88872%0.72SS**  trans-74.6111.7164.1-67-171122.900110.7
388N51Low53.2Low145 Ų145151.3 Ų151.378%0.77572%0.721SS**  trans-145.314.1180-104.4-20000115.3K386K386-N388 PolarHBondContact O-N 3.19Å
389E49.2Very low54Low126 Ų126147 Ų14759%0.58971%0.707SS**SBendtrans-97.4-13-174-145.2-159.8122.700115.2R393E389-R393 IonicContact OE1-CZ 2.6Å; E389-R393 IonicContact OE1-NE 3.89Å; E389-R393 IonicContact OE1-NH2 2.71Å; E389-R393 PolarHBondContact OE1-NH2 2.9Å
390Y48.3Very low54.1Low204 Ų204143.7 Ų143.780%0.870%0.699SS**THydrogen-bonded Turntrans-81.6-27-169.9-95.9-92.2000115.5
391H51.2Low54.8Low162 Ų162142.2 Ų142.275%0.7569%0.693SS**THydrogen-bonded Turntrans-76.6-35-175.6-86-68.9000114R393 V394H391-R393 VanDerWaalsContact C-N 3.27Å; H391-R393 PolarHBondContact O-N 3.19Å; H391-V394 PolarHBondContact O-N 3.22Å; H391-V394 VanDerWaalsContact O-N 3.12Å
392E55.2Low55.2Low146 Ų146146.5 Ų146.568%0.68270%0.696SS**Hα-helixtrans-66.2-27.7-173.6-173168.2-165.600113.4V394 N396E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.48Å; E392-N396 PolarHBondContact O-N 3.25Å; E392-N396 PolarHBondContact O-ND2 3.28Å
393R51Low55.1Low172 Ų172147.2 Ų147.265%0.64969%0.689SS**Hα-helixtrans-69.8-26.9176.9-60.6-172.2-173-161.84112.7E389 H391E389-R393 IonicContact OE1-CZ 2.6Å; E389-R393 IonicContact OE1-NE 3.89Å; E389-R393 IonicContact OE1-NH2 2.71Å; E389-R393 PolarHBondContact OE1-NH2 2.9Å; H391-R393 VanDerWaalsContact C-N 3.27Å; H391-R393 PolarHBondContact O-N 3.19Å
394V59.7Low54.8Low77 Ų77142 Ų14247%0.46768%0.676SS.*Hα-helixtrans-76.6-46.6-177.2-179.60000111.8H391 E392 M397 K398H391-V394 PolarHBondContact O-N 3.22Å; H391-V394 VanDerWaalsContact O-N 3.12Å; E392-V394 VanDerWaalsContact C-N 3.32Å; E392-V394 PolarHBondContact O-N 3.48Å; V394-M397 PolarHBondContact O-N 3.17Å; V394-K398 PolarHBondContact O-N 3.11Å; V394-K398 VanDerWaalsContact O-N 3.17Å
395D65.2Low54.3Low89 Ų89139.1 Ų139.148%0.47666%0.663SS.*Hα-helixtrans-75.4-27.7-177.1-77.7-28.1000113.2M397 K398 K399D395-M397 VanDerWaalsContact C-N 3.3Å; D395-M397 PolarHBondContact O-N 3.32Å; D395-K398 PolarHBondContact O-N 3.23Å; D395-K398 WeakPolarHBondContact OD1-CD 3.49Å; D395-K398 IonicContact OD1-NZ 2.66Å; D395-K398 PolarHBondContact OD1-NZ 3.42Å; D395-K399 PolarHBondContact O-N 3.04Å
396N64.6Low54Low72 Ų72138 Ų13839%0.38566%0.656SS.*Hα-helixtrans-60.8-39.9167.8-81.9-56.4000111.7E392 K399 F400E392-N396 PolarHBondContact O-N 3.25Å; E392-N396 PolarHBondContact O-ND2 3.28Å; N396-K399 WeakPolarHBondContact O-CB 3.42Å; N396-K399 PolarHBondContact O-N 2.95Å; N396-F400 WeakPolarHBondContact O-CD2 3.36Å; N396-F400 PolarHBondContact O-N 3.49Å; N396-F400 VanDerWaalsContact O-N 3.14Å
397M55.3Low53.9Low143 Ų143134.6 Ų134.670%0.70466%0.655SS**Hα-helixtrans-68.6-33175.8-174.1149.25300113.1V394 D395 K401V394-M397 PolarHBondContact O-N 3.17Å; D395-M397 VanDerWaalsContact C-N 3.3Å; D395-M397 PolarHBondContact O-N 3.32Å; M397-K401 PolarHBondContact O-N 2.97Å
398K67.6Low53.9Low136 Ų136133.8 Ų133.859%0.59165%0.651SS**Hα-helixtrans-63.8-43.5168-73.9-178.8-165.7146.70112.2V394 D395 F400 K401V394-K398 PolarHBondContact O-N 3.11Å; V394-K398 VanDerWaalsContact O-N 3.17Å; D395-K398 PolarHBondContact O-N 3.23Å; D395-K398 WeakPolarHBondContact OD1-CD 3.49Å; D395-K398 IonicContact OD1-NZ 2.66Å; D395-K398 PolarHBondContact OD1-NZ 3.42Å; K398-F400 PolarHBondContact O-N 3.36Å; K398-K401 PolarHBondContact O-N 3.17Å
399K66.3Low53.7Low144 Ų144134.5 Ų134.563%0.62665%0.652SS**Hα-helixtrans-56.2-49.1178.4-108.2173.2179.7169.60111.8D395 N396 K401 K402 Y403D395-K399 PolarHBondContact O-N 3.04Å; N396-K399 WeakPolarHBondContact O-CB 3.42Å; N396-K399 PolarHBondContact O-N 2.95Å; K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.41Å; K399-K402 PolarHBondContact O-N 3.15Å; K399-Y403 WeakPolarHBondContact O-CD2 3.36Å
400F47.8Very low53.3Low155 Ų155136.3 Ų136.368%0.6867%0.665SS**Hα-helixtrans-61.9-36.2179.6-90.2-81.5000113.7N396 K398 K402 Y403 A404N396-F400 WeakPolarHBondContact O-CD2 3.36Å; N396-F400 PolarHBondContact O-N 3.49Å; N396-F400 VanDerWaalsContact O-N 3.14Å; K398-F400 PolarHBondContact O-N 3.36Å; F400-K402 PolarHBondContact O-N 3.36Å; F400-Y403 PolarHBondContact O-N 3.07Å; F400-Y403 VanDerWaalsContact O-N 3.14Å; F400-A404 PolarHBondContact O-N 3.37Å
401K59.2Low53Low173 Ų173132.6 Ų132.675%0.75267%0.669SS**Hα-helixtrans-61-26.4179.1-157.7173.8-175.1179.70112.9M397 K398 K399M397-K401 PolarHBondContact O-N 2.97Å; K398-K401 PolarHBondContact O-N 3.17Å; K399-K401 VanDerWaalsContact C-N 3.33Å; K399-K401 PolarHBondContact O-N 3.41Å
402K56.6Low52.8Low167 Ų167130.5 Ų130.573%0.72667%0.673SS**Hα-helixtrans-75.1-30.1177.7-162172.9-175.7177.20113.4K399 F400K399-K402 PolarHBondContact O-N 3.15Å; F400-K402 PolarHBondContact O-N 3.36Å
403Y47Very low52.2Low173 Ų173129 Ų12968%0.67868%0.678SS**Hα-helixtrans-77.1-37.5178.8-73.4-81.2000112.7K399 F400 A405 V406K399-Y403 WeakPolarHBondContact O-CD2 3.36Å; F400-Y403 PolarHBondContact O-N 3.07Å; F400-Y403 VanDerWaalsContact O-N 3.14Å; Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 3.2Å; Y403-V406 PolarHBondContact O-N 2.92Å
404A44.5Very low52.4Low66 Ų66125.8 Ų125.855%0.54568%0.682SS.*Hα-helixtrans-61.3-32.9-179.800000113.5F400F400-A404 PolarHBondContact O-N 3.37Å
405A48Very low51.5Low66 Ų66129.3 Ų129.355%0.54570%0.698SS.*Hα-helixtrans-69.5-31.5178.500000113.3Y403 S407 Q408Y403-A405 VanDerWaalsContact C-N 3.27Å; Y403-A405 PolarHBondContact O-N 3.2Å; A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.12Å; A405-Q408 PolarHBondContact O-N 3.3Å
406V48Very low50.8Low111 Ų111135.9 Ų135.967%0.67372%0.718SS**Hα-helixtrans-72.4-21.7-177.3178.40000111.9Y403 Q408Y403-V406 PolarHBondContact O-N 2.92Å; V406-Q408 VanDerWaalsContact C-N 3.35Å; V406-Q408 PolarHBondContact O-N 3.21Å
407S47.5Very low49.7Very low109 Ų109141.5 Ų141.576%0.76274%0.742SS**THydrogen-bonded Turntrans-84.1-0.1178.9-560000115A405A405-S407 VanDerWaalsContact C-N 3.27Å; A405-S407 PolarHBondContact O-N 3.12Å
408Q49.7Very low49.5Very low173 Ų173139.7 Ų139.781%0.80874%0.743SS**THydrogen-bonded Turntrans-105.82.8-178.1-68.7-164.5-32.600114.9A405 V406A405-Q408 PolarHBondContact O-N 3.3Å; V406-Q408 VanDerWaalsContact C-N 3.35Å; V406-Q408 PolarHBondContact O-N 3.21Å
409M45.3Very low48.2Very low161 Ų161142.1 Ų142.179%0.79376%0.757SS**SBendtrans-128.299.2174.3-73.4-174.4159.900110.4
410N41.6Very low47.2Very low164 Ų164140.9 Ų140.988%0.87776%0.761SS**  trans169.171.1153.6-87.4-23.9000109.9
411S41.1Very low47Very low125 Ų125139.3 Ų139.387%0.87477%0.77SS**  trans-137.353.1177.2-63.30000111.4
412S48.1Very low46.8Very low119 Ų119135.9 Ų135.983%0.83277%0.768SS**  trans-115.2120178.1-62.10000110.6
413S42.7Very low46.6Very low114 Ų114131.9 Ų131.980%0.79776%0.76SS**  trans6.1118.2165.8-167.50000119.2
414S54.3Low47.1Very low104 Ų104127.9 Ų127.973%0.72775%0.754SS**  trans-150.9131.1132.756.70000110.3
415N41Very low47.9Very low151 Ų151128.3 Ų128.381%0.80775%0.748SS**  trans-90.8106.4175-73.2-18.2000109.1
416Y51.2Low48.8Very low228 Ų228131 Ų13189%0.89475%0.752SS**  trans-138.9123.3160-91.5-75000111.4
417E40.5Very low50.1Low190 Ų190128.3 Ų128.389%0.88874%0.738SS**  trans-99104.4-170.5178.4176.8-161.100110.1
418S50.5Low51.1Low105 Ų105128 Ų12873%0.73473%0.725SS**  trans-161.5102.7170.9-84.60000114.5
419Q41.8Very low52.1Low186 Ų186123.7 Ų123.787%0.86971%0.706SS**  trans27.3101.9142.2-52.6-17815.500119
420T44.1Very low53.3Low118 Ų118119.2 Ų119.272%0.72469%0.69SS**  trans-160.760.4154.416.40000111.4S422T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.68Å
421S45.1Very low54.8Low123 Ų123119.3 Ų119.386%0.8668%0.678SS**THydrogen-bonded Turntrans-78.753.8-162.9-46.20000116.3
422S54.8Low56.4Low101 Ų101116.8 Ų116.871%0.70666%0.655SS**THydrogen-bonded Turntrans-144.4-23.4178.264.30000117.1T420T420-S422 VanDerWaalsContact C-N 3.32Å; T420-S422 PolarHBondContact O-N 2.68Å
423S51.7Low57.7Low82 Ų82113.9 Ų113.957%0.57363%0.629SS**SBendtrans-88-17-171.859.40000115.2
424T56.7Low59.2Low89 Ų89117.1 Ų117.155%0.54662%0.624SS.*Hα-helixtrans-73.2-47-170.946.30000113.8L426 S427 E428T424-L426 VanDerWaalsContact C-N 3.34Å; T424-L426 PolarHBondContact O-N 2.96Å; T424-S427 WeakPolarHBondContact O-CB 3.39Å; T424-S427 PolarHBondContact O-N 2.71Å; T424-E428 PolarHBondContact O-N 2.91Å; T424-E428 VanDerWaalsContact O-N 3.08Å
425N62Low60Low76 Ų76115.6 Ų115.641%0.40661%0.612SS.*Hα-helixtrans-54.7-44.4-175.5-78.8-26.2000112.9N319 S427 E428 I429N319-N425 PolarHBondContact ND2-OD1 3.25Å; N425-S427 VanDerWaalsContact C-N 3.33Å; N425-S427 PolarHBondContact O-N 2.86Å; N425-E428 PolarHBondContact O-N 3.13Å; N425-I429 VanDerWaalsContact O-CG1 3.31Å; N425-I429 WeakPolarHBondContact O-CG1 3.43Å; N425-I429 PolarHBondContact O-N 3.43Å
426L67.6Low61.5Low122 Ų122109.1 Ų109.164%0.63958%0.578SS**Hα-helixtrans-65.7-34.5178.5-76.1170.8000112.6T424 C430T424-L426 VanDerWaalsContact C-N 3.34Å; T424-L426 PolarHBondContact O-N 2.96Å; L426-C430 VanDerWaalsContact O-CB 3.32Å; L426-C430 WeakPolarHBondContact O-CB 3.35Å; L426-C430 PolarHBondContact O-N 3.22Å; L426-C430 PolarHBondContact O-SG 3.44Å
427S75.3Confident62.6Low55 Ų55103.8 Ų103.839%0.38556%0.561SS.*Hα-helixtrans-66.5-40.7176-166.10000111.3T424 N425 R431T424-S427 WeakPolarHBondContact O-CB 3.39Å; T424-S427 PolarHBondContact O-N 2.71Å; N425-S427 VanDerWaalsContact C-N 3.33Å; N425-S427 PolarHBondContact O-N 2.86Å; S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.13Å; S427-R431 PolarHBondContact O-N 2.96Å
428E68.6Low64.2Low102 Ų102100.8 Ų100.848%0.47754%0.543SS..Hα-helixtrans-71-44.2179-171.1158-140.400112.6T424 N425 C430 R431 N432T424-E428 PolarHBondContact O-N 2.91Å; T424-E428 VanDerWaalsContact O-N 3.08Å; N425-E428 PolarHBondContact O-N 3.13Å; E428-C430 VanDerWaalsContact C-N 3.34Å; E428-C430 PolarHBondContact O-N 2.94Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.24Å; E428-R431 VanDerWaalsContact O-N 3.13Å; E428-N432 VanDerWaalsContact O-CG 3.3Å; E428-N432 PolarHBondContact O-N 3.42Å
429I69.8Low65.3Low82 Ų8297.2 Ų97.242%0.42152%0.515SS..Hα-helixtrans-57.8-47172.8-67164.2000110.6N425 R431 N432 I433N425-I429 VanDerWaalsContact O-CG1 3.31Å; N425-I429 WeakPolarHBondContact O-CG1 3.43Å; N425-I429 PolarHBondContact O-N 3.43Å; I429-R431 VanDerWaalsContact C-N 3.3Å; I429-R431 PolarHBondContact O-N 3.03Å; I429-N432 PolarHBondContact O-N 3.46Å; I429-I433 HydrophobicContact CG2-CD1 3.81Å; I429-I433 HydrophobicContact CG2-CG1 4.49Å; I429-I433 WeakPolarHBondContact O-CG1 3.38Å; I429-I433 PolarHBondContact O-N 2.94Å
430C70.6Confident67Low67 Ų6790.6 Ų90.645%0.45349%0.485SS..Hα-helixtrans-63.3-31.3177-710000113.6L426 E428 R434L426-C430 VanDerWaalsContact O-CB 3.32Å; L426-C430 WeakPolarHBondContact O-CB 3.35Å; L426-C430 PolarHBondContact O-N 3.22Å; L426-C430 PolarHBondContact O-SG 3.44Å; E428-C430 VanDerWaalsContact C-N 3.34Å; E428-C430 PolarHBondContact O-N 2.94Å; C430-R434 VanDerWaalsContact O-CG 3.31Å; C430-R434 WeakPolarHBondContact O-CG 3.18Å; C430-R434 PolarHBondContact O-N 2.86Å
431R73.1Confident68.6Low167 Ų16793.5 Ų93.563%0.6348%0.482SS*.Hα-helixtrans-70.1-46.7173-73.4165.3-173.6-166.1-0.9110.9S427 E428 I429 I433 R434 C435S427-R431 VanDerWaalsContact O-CG 3.23Å; S427-R431 WeakPolarHBondContact O-CG 3.13Å; S427-R431 PolarHBondContact O-N 2.96Å; E428-R431 WeakPolarHBondContact O-CB 3.38Å; E428-R431 PolarHBondContact O-N 3.24Å; E428-R431 VanDerWaalsContact O-N 3.13Å; I429-R431 VanDerWaalsContact C-N 3.3Å; I429-R431 PolarHBondContact O-N 3.03Å; R431-I433 PolarHBondContact O-N 3.33Å; R431-R434 PolarHBondContact O-N 2.99Å; R431-C435 PolarHBondContact O-N 2.89Å; R431-C435 PolarHBondContact O-SG 3.08Å; R431-C435 VanDerWaalsContact O-SG 3.4Å
432N75.2Confident69.8Low71 Ų7191.8 Ų91.838%0.3846%0.463SS..Hα-helixtrans-62.7-42.9-178.6-68.5-15.6000111.8E428 I429 C435 L436E428-N432 VanDerWaalsContact O-CG 3.3Å; E428-N432 PolarHBondContact O-N 3.42Å; I429-N432 PolarHBondContact O-N 3.46Å; N432-C435 PolarHBondContact O-N 3.45Å; N432-L436 WeakPolarHBondContact O-CB 3.48Å; N432-L436 PolarHBondContact O-N 3.41Å
433I74.8Confident70.6Confident58 Ų5888.1 Ų88.130%0.29744%0.436SS..Hα-helixtrans-59.1-50.5174.1-67.3167.3000110.7I429 R431 C435 L436 E437I429-I433 HydrophobicContact CG2-CD1 3.81Å; I429-I433 HydrophobicContact CG2-CG1 4.49Å; I429-I433 WeakPolarHBondContact O-CG1 3.38Å; I429-I433 PolarHBondContact O-N 2.94Å; R431-I433 PolarHBondContact O-N 3.33Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.28Å; I433-L436 PolarHBondContact O-N 2.91Å; I433-E437 HydrophobicContact CG2-CG 4.36Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.91Å
434R75.1Confident71.6Confident183 Ų18387.9 Ų87.969%0.69143%0.428SS*.Hα-helixtrans-62.5-36.1179.5-75.2176.7178-171.90.7113.7C430 R431 Y438C430-R434 VanDerWaalsContact O-CG 3.31Å; C430-R434 WeakPolarHBondContact O-CG 3.18Å; C430-R434 PolarHBondContact O-N 2.86Å; R431-R434 PolarHBondContact O-N 2.99Å; R434-Y438 WeakPolarHBondContact O-CB 3.49Å; R434-Y438 PolarHBondContact O-N 3.39Å; R434-Y438 VanDerWaalsContact O-N 3.17Å
435C70.4Confident72.4Confident71 Ų7188 Ų8848%0.4843%0.425SS..Hα-helixtrans-61.1-48.7170.4-730000110.1R431 N432 I433 E437 Y438 I439R431-C435 PolarHBondContact O-N 2.89Å; R431-C435 PolarHBondContact O-SG 3.08Å; R431-C435 VanDerWaalsContact O-SG 3.4Å; N432-C435 PolarHBondContact O-N 3.45Å; I433-C435 VanDerWaalsContact C-N 3.33Å; I433-C435 PolarHBondContact O-N 3.28Å; C435-E437 PolarHBondContact O-N 3.13Å; C435-Y438 CarbonylContact O-C 3.59Å; C435-Y438 WeakPolarHBondContact O-CB 3.41Å; C435-Y438 PolarHBondContact O-N 2.85Å; C435-Y438 VanDerWaalsContact O-N 3.11Å; C435-I439 HydrophobicContact CB-CD1 4.38Å; C435-I439 VanDerWaalsContact O-CD1 3.23Å; C435-I439 WeakPolarHBondContact O-CD1 3.36Å; C435-I439 WeakPolarHBondContact O-CG1 3.48Å; C435-I439 PolarHBondContact O-N 2.96Å
436L72.5Confident72.5Confident15 Ų1587.8 Ų87.88%0.07942%0.419CS..Hα-helixtrans-67.8-37.3-175-157.848.3000112.7A298 L302 N432 I433 Y438 I439 I440A298-L436 HydrophobicContact CB-CD1 3.8Å; A298-L436 HydrophobicContact CB-CG 4.46Å; L302-L436 HydrophobicContact CD1-CD2 4.2Å; L302-L436 HydrophobicContact CD1-CG 4.16Å; L302-L436 HydrophobicContact CD2-CB 4.45Å; L302-L436 HydrophobicContact CD2-CD2 3.81Å; L302-L436 HydrophobicContact CD2-CG 4.3Å; L302-L436 HydrophobicContact CG-CD2 3.65Å; L302-L436 HydrophobicContact CG-CG 4.15Å; N432-L436 WeakPolarHBondContact O-CB 3.48Å; N432-L436 PolarHBondContact O-N 3.41Å; I433-L436 PolarHBondContact O-N 2.91Å; L436-Y438 PolarHBondContact O-N 3.1Å; L436-I439 HydrophobicContact CD1-CB 4.49Å; L436-I439 HydrophobicContact CD1-CD1 4.13Å; L436-I439 PolarHBondContact O-N 3.04Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 3.37Å
437E74.7Confident72.3Confident116 Ų11685 Ų8554%0.54240%0.402SS..Hα-helixtrans-56.5-46.4167.1-70.4174.6152.100112.1I433 C435 I440 R441I433-E437 HydrophobicContact CG2-CG 4.36Å; I433-E437 WeakPolarHBondContact O-CG 3.38Å; I433-E437 PolarHBondContact O-N 2.91Å; C435-E437 PolarHBondContact O-N 3.13Å; E437-I440 PolarHBondContact O-N 3.03Å; E437-R441 WeakPolarHBondContact O-CB 3.48Å; E437-R441 PolarHBondContact O-N 3.34Å
438Y74.4Confident71.8Confident128 Ų12888.1 Ų88.150%0.50241%0.41SS..Hα-helixtrans-66.2-37.9178.2173.8-103.9000112.1R434 C435 L436 R441 L442R434-Y438 WeakPolarHBondContact O-CB 3.49Å; R434-Y438 PolarHBondContact O-N 3.39Å; R434-Y438 VanDerWaalsContact O-N 3.17Å; C435-Y438 CarbonylContact O-C 3.59Å; C435-Y438 WeakPolarHBondContact O-CB 3.41Å; C435-Y438 PolarHBondContact O-N 2.85Å; C435-Y438 VanDerWaalsContact O-N 3.11Å; L436-Y438 PolarHBondContact O-N 3.1Å; Y438-R441 PolarHBondContact O-N 3.46Å; Y438-L442 HydrophobicContact CD1-CD1 3.97Å; Y438-L442 HydrophobicContact CE1-CD1 3.45Å; Y438-L442 VanDerWaalsContact CE1-CD1 3.45Å; Y438-L442 HydrophobicContact CE1-CG 4.18Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CG 4.35Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 3.36Å
439I73.8Confident71.2Confident29 Ų2987.7 Ų87.715%0.14941%0.408CS..Hα-helixtrans-64.5-47175.2-67.5150.8000110.8L332 C435 L436 R441 L442 L443L332-I439 HydrophobicContact CD1-CD1 3.53Å; L332-I439 HydrophobicContact CD1-CG1 4.09Å; L332-I439 HydrophobicContact CD1-CG2 4.07Å; L332-I439 HydrophobicContact CD2-CG1 4.39Å; L332-I439 HydrophobicContact CD2-CG2 3.86Å; C435-I439 HydrophobicContact CB-CD1 4.38Å; C435-I439 VanDerWaalsContact O-CD1 3.23Å; C435-I439 WeakPolarHBondContact O-CD1 3.36Å; C435-I439 WeakPolarHBondContact O-CG1 3.48Å; C435-I439 PolarHBondContact O-N 2.96Å; L436-I439 HydrophobicContact CD1-CB 4.49Å; L436-I439 HydrophobicContact CD1-CD1 4.13Å; L436-I439 PolarHBondContact O-N 3.04Å; I439-R441 VanDerWaalsContact C-N 3.35Å; I439-R441 PolarHBondContact O-N 3.19Å; I439-L442 PolarHBondContact O-N 3.27Å; I439-L443 HydrophobicContact CG2-CD1 3.82Å; I439-L443 WeakPolarHBondContact O-CG 3.3Å; I439-L443 PolarHBondContact O-N 3.45Å
440I76.2Confident70.8Confident47 Ų4787.9 Ų87.924%0.24141%0.406CS..Hα-helixtrans-61-44.3176.8-69.6164.6000110.5L295 L302 L436 E437 L442 L443 N444L295-I440 HydrophobicContact CD2-CG1 4.39Å; L302-I440 HydrophobicContact CD1-CD1 3.55Å; L436-I440 VanDerWaalsContact O-CG1 3.31Å; L436-I440 WeakPolarHBondContact O-CG1 3.08Å; L436-I440 PolarHBondContact O-N 3.37Å; E437-I440 PolarHBondContact O-N 3.03Å; I440-L442 PolarHBondContact O-N 3.06Å; I440-L443 PolarHBondContact O-N 3.26Å; I440-N444 WeakPolarHBondContact O-CB 3.29Å; I440-N444 VanDerWaalsContact O-CG 3.29Å; I440-N444 PolarHBondContact O-N 3.33Å; I440-N444 PolarHBondContact O-OD1 2.99Å
441R77.6Confident70.2Confident179 Ų17987.6 Ų87.668%0.67541%0.408SS*.Hα-helixtrans-60.8-42.6174.4177.5174.2-85169.2-5.9112.5E437 Y438 I439 L443 N445E437-R441 WeakPolarHBondContact O-CB 3.48Å; E437-R441 PolarHBondContact O-N 3.34Å; Y438-R441 PolarHBondContact O-N 3.46Å; I439-R441 VanDerWaalsContact C-N 3.35Å; I439-R441 PolarHBondContact O-N 3.19Å; R441-L443 VanDerWaalsContact C-N 3.35Å; R441-L443 PolarHBondContact O-N 3.41Å; R441-N445 PolarHBondContact O-N 3.29Å; R441-N445 VanDerWaalsContact O-N 3.13Å; R441-N445 PolarHBondContact O-OD1 3.37Å; R441-N445 VanDerWaalsContact O-OD1 3.09Å
442L71Confident69.8Low87 Ų8785.3 Ų85.346%0.45541%0.407SS..Hα-helixtrans-62.2-41.4176-78.9177.4000112.4Y438 I439 I440 R446Y438-L442 HydrophobicContact CD1-CD1 3.97Å; Y438-L442 HydrophobicContact CE1-CD1 3.45Å; Y438-L442 VanDerWaalsContact CE1-CD1 3.45Å; Y438-L442 HydrophobicContact CE1-CG 4.18Å; Y438-L442 HydrophobicContact CE2-CD1 4.44Å; Y438-L442 HydrophobicContact CE2-CG 4.35Å; Y438-L442 WeakPolarHBondContact O-CG 3.44Å; Y438-L442 PolarHBondContact O-N 3.36Å; I439-L442 PolarHBondContact O-N 3.27Å; I440-L442 PolarHBondContact O-N 3.06Å; L442-R446 PolarHBondContact O-N 3.39Å
443L72.2Confident69.3Low25 Ų2589.2 Ų89.213%0.13142%0.421CS..Hα-helixtrans-68.8-47.4-179.9-70.4165.7000110.8L295 I439 I440 R441 N445 R446 F447L295-L443 HydrophobicContact CD1-CB 4.33Å; L295-L443 HydrophobicContact CD2-CB 3.92Å; L295-L443 HydrophobicContact CD2-CD1 3.61Å; L295-L443 HydrophobicContact CD2-CG 4.4Å; L295-L443 HydrophobicContact CG-CB 4.31Å; L295-L443 HydrophobicContact CG-CD1 3.92Å; I439-L443 HydrophobicContact CG2-CD1 3.82Å; I439-L443 WeakPolarHBondContact O-CG 3.3Å; I439-L443 PolarHBondContact O-N 3.45Å; I440-L443 PolarHBondContact O-N 3.26Å; R441-L443 VanDerWaalsContact C-N 3.35Å; R441-L443 PolarHBondContact O-N 3.41Å; L443-N445 PolarHBondContact O-N 3.32Å; L443-R446 WeakPolarHBondContact O-CA 3.48Å; L443-R446 VanDerWaalsContact O-CB 3.29Å; L443-R446 WeakPolarHBondContact O-CB 3.37Å; L443-R446 PolarHBondContact O-N 3.27Å; L443-F447 VanDerWaalsContact O-CD2 3.22Å; L443-F447 WeakPolarHBondContact O-CD2 3.45Å; L443-F447 PolarHBondContact O-N 2.66Å
444N72.8Confident68.9Low77 Ų7795 Ų9541%0.41244%0.444SS..Hα-helixtrans-56.7-47.1177.3-70.70.9000112.2I440 R446 F447 E448I440-N444 WeakPolarHBondContact O-CB 3.29Å; I440-N444 VanDerWaalsContact O-CG 3.29Å; I440-N444 PolarHBondContact O-N 3.33Å; I440-N444 PolarHBondContact O-OD1 2.99Å; N444-R446 PolarHBondContact O-N 3.1Å; N444-F447 WeakPolarHBondContact O-CB 3.38Å; N444-F447 PolarHBondContact O-N 3.09Å; N444-E448 PolarHBondContact O-N 3.39Å; N444-E448 VanDerWaalsContact O-N 3.1Å
445N72.9Confident67.7Low91 Ų9196.5 Ų96.549%0.48745%0.449SS..Hα-helixtrans-56.7-34.8176-69.211.1000112.3R441 L443 F447 E449R441-N445 PolarHBondContact O-N 3.29Å; R441-N445 VanDerWaalsContact O-N 3.13Å; R441-N445 PolarHBondContact O-OD1 3.37Å; R441-N445 VanDerWaalsContact O-OD1 3.09Å; L443-N445 PolarHBondContact O-N 3.32Å; N445-F447 VanDerWaalsContact C-N 3.31Å; N445-F447 PolarHBondContact O-N 3.46Å; N445-E449 PolarHBondContact O-N 3.24Å; N445-E449 VanDerWaalsContact O-N 3.13Å
446R64.3Low67Low72 Ų7298.9 Ų98.927%0.27246%0.464SS..Hα-helixtrans-71.5-22.8177.8-159.6-177.8-172-145.1-2113V285 D286 L442 L443 N444 K450V285-R446 PolarHBondContact O-NH1 3.38Å; D286-R446 IonicContact OD1-CZ 2.86Å; D286-R446 IonicContact OD1-NH2 3.41Å; D286-R446 PolarHBondContact OD1-NH2 3.15Å; L442-R446 PolarHBondContact O-N 3.39Å; L443-R446 WeakPolarHBondContact O-CA 3.48Å; L443-R446 VanDerWaalsContact O-CB 3.29Å; L443-R446 WeakPolarHBondContact O-CB 3.37Å; L443-R446 PolarHBondContact O-N 3.27Å; N444-R446 PolarHBondContact O-N 3.1Å; R446-K450 WeakPolarHBondContact O-CG 3.38Å
447F63.2Low66.3Low63 Ų63109.4 Ų109.428%0.27650%0.503SS..Hα-helixtrans-80.8-45.2171.7-76.6-82.1000111.7T288 L292 L295 L443 N444 N445 E449 K450 A451T288-F447 HydrophobicContact CG2-CE1 3.69Å; T288-F447 HydrophobicContact CG2-CZ 4.28Å; L292-F447 HydrophobicContact CD2-CE1 4.29Å; L292-F447 HydrophobicContact CD2-CZ 3.87Å; L292-F447 HydrophobicContact CG-CE1 4.48Å; L292-F447 HydrophobicContact CG-CZ 4.07Å; L295-F447 HydrophobicContact CD1-CE2 3.73Å; L295-F447 HydrophobicContact CD1-CZ 4.41Å; L443-F447 VanDerWaalsContact O-CD2 3.22Å; L443-F447 WeakPolarHBondContact O-CD2 3.45Å; L443-F447 PolarHBondContact O-N 2.66Å; N444-F447 WeakPolarHBondContact O-CB 3.38Å; N444-F447 PolarHBondContact O-N 3.09Å; N445-F447 VanDerWaalsContact C-N 3.31Å; N445-F447 PolarHBondContact O-N 3.46Å; F447-E449 PolarHBondContact O-N 3.18Å; F447-K450 WeakPolarHBondContact O-CB 3.37Å; F447-K450 PolarHBondContact O-N 3.26Å; F447-A451 PolarHBondContact O-N 2.89Å
448E65.3Low65Low121 Ų121111.7 Ų111.757%0.56551%0.513SS*.Hα-helixtrans-59.5-43.9177.5-70.7-177.4-171.700112.3N444 K450 A451 I452N444-E448 PolarHBondContact O-N 3.39Å; N444-E448 VanDerWaalsContact O-N 3.1Å; E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.04Å; E448-A451 WeakPolarHBondContact O-CB 3.44Å; E448-A451 PolarHBondContact O-N 3.35Å; E448-I452 WeakPolarHBondContact O-CG1 3.5Å; E448-I452 PolarHBondContact O-N 3.2Å
449E55.4Low64Low92 Ų92113.1 Ų113.143%0.4353%0.526SS..Hα-helixtrans-60.6-37.4178-160.7-158.6142.800112.2N445 F447 K453N445-E449 PolarHBondContact O-N 3.24Å; N445-E449 VanDerWaalsContact O-N 3.13Å; F447-E449 PolarHBondContact O-N 3.18Å; E449-K453 HydrophobicContact CG-CD 4.48Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.49Å; E449-K453 PolarHBondContact O-N 3.37Å; E449-K453 WeakPolarHBondContact OE1-CE 3.44Å; E449-K453 IonicContact OE1-NZ 2.79Å; E449-K453 PolarHBondContact OE1-NZ 3.28Å
450K62.1Low63Low87 Ų87117.6 Ų117.638%0.37855%0.551SS.*Hα-helixtrans-68.9-31.7174.2-77.4178.8174.5-179.40112.3T288 R446 F447 E448T288-K450 PolarHBondContact OG1-NZ 3.04Å; R446-K450 WeakPolarHBondContact O-CG 3.38Å; F447-K450 WeakPolarHBondContact O-CB 3.37Å; F447-K450 PolarHBondContact O-N 3.26Å; E448-K450 VanDerWaalsContact C-N 3.28Å; E448-K450 PolarHBondContact O-N 3.04Å
451A58.3Low61.6Low61 Ų61121.2 Ų121.250%0.50458%0.578SS.*Hα-helixtrans-74.8-46.617700000111.9F447 E448 K453 K454 R455F447-A451 PolarHBondContact O-N 2.89Å; E448-A451 WeakPolarHBondContact O-CB 3.44Å; E448-A451 PolarHBondContact O-N 3.35Å; A451-K453 VanDerWaalsContact C-N 3.3Å; A451-K453 PolarHBondContact O-N 3.33Å; A451-K454 PolarHBondContact O-N 3.46Å; A451-R455 PolarHBondContact O-N 3.39Å
452I63.2Low60.3Low118 Ų118122 Ų12261%0.60559%0.587SS**Hα-helixtrans-58.4-43.9177.7-66.5165.9000110.5E448 K454 R455E448-I452 WeakPolarHBondContact O-CG1 3.5Å; E448-I452 PolarHBondContact O-N 3.2Å; I452-K454 PolarHBondContact O-N 3.13Å; I452-K454 VanDerWaalsContact O-N 3.1Å; I452-R455 PolarHBondContact O-N 3.04Å
453K65.7Low59.1Low154 Ų154128.1 Ų128.167%0.6760%0.604SS**THydrogen-bonded Turntrans-66.4-6.7177-75.3175.2173.6175.20115.1E449 A451E449-K453 HydrophobicContact CG-CD 4.48Å; E449-K453 WeakPolarHBondContact O-CB 3.48Å; E449-K453 WeakPolarHBondContact O-CG 3.49Å; E449-K453 PolarHBondContact O-N 3.37Å; E449-K453 WeakPolarHBondContact OE1-CE 3.44Å; E449-K453 IonicContact OE1-NZ 2.79Å; E449-K453 PolarHBondContact OE1-NZ 3.28Å; A451-K453 VanDerWaalsContact C-N 3.3Å; A451-K453 PolarHBondContact O-N 3.33Å
454K65.5Low58Low180 Ų180133.6 Ų133.678%0.78364%0.639SS**THydrogen-bonded Turntrans-105.4-6175.7-79.1-173.5173.6-172.70114.6A451 I452 P456A451-K454 PolarHBondContact O-N 3.46Å; I452-K454 PolarHBondContact O-N 3.13Å; I452-K454 VanDerWaalsContact O-N 3.1Å; K454-P456 WeakPolarHBondContact O-CD 3.33Å
455R50.4Low56.9Low213 Ų213138.1 Ų138.180%0.80466%0.655SS**  trans-66.6121.2173.8-78.7-172.4171.3178.6-2.2109.8A451 I452A451-R455 PolarHBondContact O-N 3.39Å; I452-R455 PolarHBondContact O-N 3.04Å
456P56.1Low55.7Low121 Ų121142.2 Ų142.279%0.78668%0.675SS**  trans-64.7141.9170.428.6-33.5000109.2K454 H458K454-P456 WeakPolarHBondContact O-CD 3.33Å; P456-H458 PolarHBondContact O-N 3.12Å; P456-H458 VanDerWaalsContact O-N 3.14Å
457R57.4Low55.3Low236 Ų236143.6 Ų143.689%0.89170%0.696SS**  trans-71108.7173-69-177.8178.1-176.6-2.4108.5M459R457-M459 PolarHBondContact O-N 2.8Å
458H47.2Very low54.6Low165 Ų165150.9 Ų150.976%0.76473%0.728SS**  trans-62.2118.9166.3-165.2-93.1000108P456 D460P456-H458 PolarHBondContact O-N 3.12Å; P456-H458 VanDerWaalsContact O-N 3.14Å; H458-D460 IonicContact CE1-OD1 2.89Å; H458-D460 PolarHBondContact CE1-OD1 3.47Å; H458-D460 IonicContact ND1-OD1 2.71Å; H458-D460 PolarHBondContact ND1-OD1 3.32Å
459M53.9Low54.1Low158 Ų158154.7 Ų154.778%0.77874%0.742SS**  trans-94.6112174.9-84.2-70.8-148.700108.3R457 C461R457-M459 PolarHBondContact O-N 2.8Å; M459-C461 PolarHBondContact O-N 3.25Å
460D52.3Low53.5Low123 Ų123155.4 Ų155.466%0.65876%0.758SS**  trans-74.990.3179.9-65.8-18.9000110.6H458 K462H458-D460 IonicContact CE1-OD1 2.89Å; H458-D460 PolarHBondContact CE1-OD1 3.47Å; H458-D460 IonicContact ND1-OD1 2.71Å; H458-D460 PolarHBondContact ND1-OD1 3.32Å; D460-K462 VanDerWaalsContact C-N 3.25Å; D460-K462 PolarHBondContact O-N 3.42Å
461C47.7Very low52.7Low122 Ų122156.5 Ų156.582%0.82478%0.777SS**  trans-65.380.5173-720000111.3M459 R463M459-C461 PolarHBondContact O-N 3.25Å; C461-R463 PolarHBondContact O-N 3.47Å
462K50.6Low52.1Low196 Ų196161.9 Ų161.985%0.85279%0.789SS**  trans-59.8126.6173.3-78.2-171.7175.7-179.70110.4D460D460-K462 VanDerWaalsContact C-N 3.25Å; D460-K462 PolarHBondContact O-N 3.42Å
463R44.3Very low51.3Low216 Ų216162.7 Ų162.782%0.81579%0.793SS**  trans-95.996.3-161.6-173-173.6-160.8168.57.5111.2C461 K465C461-R463 PolarHBondContact O-N 3.47Å; R463-K465 PolarHBondContact O-N 3.48Å
464T49.3Very low50.6Low140 Ų140161.6 Ų161.686%0.85980%0.795SS**  trans-71.5106.8172.836.90000111.2
465K49.1Very low49.7Very low172 Ų172163.7 Ų163.775%0.74880%0.798SS**PPolyproline II helixtrans-98117.2162.7-70.9-175.5177.3-177.50108.5R463R463-K465 PolarHBondContact O-N 3.48Å
466L48Very low49.6Very low176 Ų176159.3 Ų159.392%0.92180%0.795SS**PPolyproline II helixtrans-99.8138.3163-83.6168.3000109.8
467S56.2Low49.2Very low102 Ų102158.8 Ų158.871%0.71379%0.786SS**PPolyproline II helixtrans-85.8138-166.463.10000113.2
468K49.2Very low49Very low215 Ų215155.1 Ų155.194%0.93578%0.776SS**PPolyproline II helixtrans-71.6125.7151.5-70.1-176.4175.9-177.30108.7
469K53.6Low49.1Very low201 Ų201154.8 Ų154.887%0.87478%0.775SS**  trans-118.2142.7159.2-98.4-172.7174.3-177.70108.3
470S42.8Very low49Very low108 Ų108152.8 Ų152.876%0.75577%0.771SS**  trans-149.5168.2174.159.10000109
471S45.8Very low48.8Very low110 Ų110153.5 Ų153.577%0.76978%0.775SS**  trans72.4149.5-172.690.20000113.7
472K46.4Very low49Very low174 Ų174154.9 Ų154.976%0.75777%0.773SS**  cis-160.9153.16-136.4163.7-175.8-179.20111.5
473L46.9Very low48.9Very low134 Ų134152.2 Ų152.270%0.70276%0.763SS**  trans48.8118.4150-73.4159.2000121.2
474N50.7Low49Very low131 Ų131151.8 Ų151.870%0.70176%0.762SS**  -174.2133.2101.6-92.6-42.2000109.5
475R45.5Very low49Very low224 Ų224152.8 Ų152.885%0.84576%0.757SS**  53.3123.395.5-88.6-179.5170.1176.3-3.3112.8
476T49.1Very low48.8Very low122 Ų122149.9 Ų149.975%0.74876%0.755SS**  cis-124.1-156.66.947.80000110
477D47.9Very low48.8Very low110 Ų110148.2 Ų148.259%0.58875%0.747SS**  cis-157.61676.5-149.59.2000114.3
478K53.2Low48.2Very low159 Ų159149.6 Ų149.669%0.69175%0.751SS**  trans48120.7153-75.2172.9-174.2116.30124.3
479H48.8Very low48.1Very low158 Ų158143 Ų14373%0.73173%0.733SS**  trans87.2111.8131.8-93.2-83.1000123
480T51.7Low47.8Very low116 Ų116142.3 Ų142.371%0.71273%0.73SS**  trans57.7146.5135.948.40000121
481D48.5Very low48Very low137 Ų137143.9 Ų143.973%0.73373%0.729SS**  cis-170.5179.7-25.4-150-40.7000106.5
482I51.7Low47.8Very low152 Ų152143.8 Ų143.878%0.77972%0.724SS**  trans69.5148.7171-53.4165000114.3
483Q49.1Very low47.8Very low139 Ų139140.5 Ų140.565%0.6572%0.718SS**  cis-169.9155.2-45-151.7-177.477.500106.9
484R45.6Very low47.6Very low208 Ų208140.5 Ų140.579%0.78572%0.719SS**  trans78.5126.8158.2-60.3-170.6-173-138.1-6.8121.9
485Q49Very low47.2Very low161 Ų161141.5 Ų141.575%0.75272%0.724SS**  trans72.9108.1132.5-66.1-77.8-24.400120.4
486P45.3Very low47Very low110 Ų110141.5 Ų141.571%0.71472%0.724SS**  trans-96.1146.315236.6-29.4000111.6
487N47.7Very low46.8Very low141 Ų141141.2 Ų141.275%0.75473%0.726SS**  trans-173.8165.5154.7-106.1-39.7000111.9
488T44.9Very low46.5Very low131 Ų131142.8 Ų142.880%0.80473%0.733SS**  trans65.3147172.463.40000117.7
489S46.4Very low46Very low77 Ų77141.7 Ų141.754%0.53874%0.74SS.*  cis179.5165-39.342.40000108.8
490F46.6Very low46.1Very low186 Ų186140 Ų14082%0.81674%0.741SS**  trans70.8153.3163.6-57.7-52000116.2
491L46.3Very low45.8Very low142 Ų142140.3 Ų140.374%0.74375%0.745SS**  cis-146.8-174.7-2.7-123.1163.4000110.7
492T43.1Very low45.6Very low108 Ų108139.7 Ų139.766%0.66375%0.746SS**  trans-60.8178.1-176.753.50000114.5
493T45.1Very low46.2Very low104 Ų104137.6 Ų137.664%0.63874%0.742SS**  cis-173.1156.841-23.40000112.5
494N43.2Very low45.9Very low135 Ų135140.8 Ų140.872%0.72275%0.75SS**  trans55.6122159.3-56.8-24.4000118.6
495L43.4Very low46.1Very low152 Ų152141.6 Ų141.680%0.79675%0.754SS**  cis68.210034.3-160.191.4000114.9
496W41Very low45.8Very low224 Ų224138.9 Ų138.985%0.84875%0.753SS**  trans-157.6120.7147.2-104.191.8000109.1L498W496-L498 HydrophobicContact CE3-CD1 4.37Å; W496-L498 HydrophobicContact CE3-CG 4.32Å; W496-L498 HydrophobicContact CZ3-CG 4.48Å
497C43.6Very low45.8Very low116 Ų116137.9 Ų137.978%0.78476%0.755SS**  trans-103.9139.7167.2-66.20000108.8
498L41.8Very low45.6Very low142 Ų142139.3 Ų139.374%0.74376%0.761SS**  trans-131.591.2-179.9-113.8165.2000110.8W496W496-L498 HydrophobicContact CE3-CD1 4.37Å; W496-L498 HydrophobicContact CE3-CG 4.32Å; W496-L498 HydrophobicContact CZ3-CG 4.48Å
499T44.4Very low45.4Very low136 Ų136139.8 Ų139.883%0.83476%0.757SS**PPolyproline II helixtrans-76.8127.4164.846.70000109.7
500T50.7Low45.3Very low124 Ų124141.8 Ų141.876%0.76177%0.769SS**PPolyproline II helixtrans-103.4147.2171.146.90000111.3
501P45.2Very low45Very low122 Ų122137.5 Ų137.579%0.79276%0.762SS**PPolyproline II helixtrans-89.2159.5-16334.6-37.2000114.4
502V44.7Very low44.8Very low123 Ų123138.8 Ų138.875%0.74577%0.766SS**PPolyproline II helixtrans-75.9126.5166.9176.20000109.8Y504V502-Y504 PolarHBondContact O-N 3.05Å
503P63.4Low44.8Very low109 Ų109143.9 Ų143.971%0.70877%0.774SS**PPolyproline II helixtrans-77.6116.1169.630.4-31.6000110.5
504Y43.2Very low44.7Very low205 Ų205147.2 Ų147.280%0.80478%0.783SS**PPolyproline II helixtrans-66.4131.8164.6-92.5-111.8000110V502V502-Y504 PolarHBondContact O-N 3.05Å
505Y48.5Very low44.6Very low225 Ų225147.2 Ų147.288%0.88278%0.778SS**  trans-133.877161-105.9-78.6000110.3A507Y505-A507 PolarHBondContact O-N 3.1Å
506S44.6Very low44.7Very low104 Ų104145.9 Ų145.973%0.72778%0.779SS**  trans-8294.8168.2510000109.8
507A43.5Very low44.7Very low90 Ų90139.8 Ų139.874%0.74477%0.767SS**PPolyproline II helixtrans-93.7138.4170.200000110.4Y505Y505-A507 PolarHBondContact O-N 3.1Å
508L44Very low44.6Very low170 Ų170140 Ų14089%0.8976%0.764SS**PPolyproline II helixtrans-80.2158.2-173.8-121.572.4000113.7
509I42Very low44.4Very low141 Ų141140.8 Ų140.872%0.72377%0.767SS**PPolyproline II helixtrans-76.8144-177.1-64.9159000110.7
510P43.7Very low43.9Very low120 Ų120139 Ų13978%0.77976%0.761SS**  -117.6123.7123.7-8.927.8000112.3M512P510-M512 PolarHBondContact O-N 2.91Å
511S39.9Very low43.3Very low96 Ų96140.6 Ų140.667%0.67176%0.764SS**  trans-90.685.3-177.852.50000110.4Y513S511-Y513 PolarHBondContact O-N 3.2Å
512M42.5Very low43.1Very low168 Ų168143 Ų14383%0.82877%0.767SS**  trans-75.979.3169.8-67.8-63.9-71.900110.1P510 E514P510-M512 PolarHBondContact O-N 2.91Å; M512-E514 PolarHBondContact O-N 3.29Å
513Y42.1Very low42.9Very low215 Ų215145.5 Ų145.584%0.84378%0.775SS**  trans-69.1106.2159.7-109.8-98.4000107.8S511S511-Y513 PolarHBondContact O-N 3.2Å
514E43.5Very low42.2Very low175 Ų175147.8 Ų147.882%0.81878%0.78SS**  trans-11899.3167.8-167.2172.8-134.800107.6M512M512-E514 PolarHBondContact O-N 3.29Å
515E40.9Very low42.4Very low134 Ų134143 Ų14363%0.62677%0.768SS**  trans-65.1136.5178.5-74-166.4155.600111.3T517E515-T517 VanDerWaalsContact CB-OG1 3.24Å; E515-T517 WeakPolarHBondContact CB-OG1 3.49Å; E515-T517 PolarHBondContact O-N 3.01Å; E515-T517 PolarHBondContact OE2-OG1 3.33Å
516P46.4Very low42.6Very low124 Ų124138.3 Ų138.381%0.80577%0.769SS**  trans-76.379.2152.233.2-30.8000108.5V518P516-V518 PolarHBondContact O-N 3.2Å
517T40.1Very low43.3Very low97 Ų97136.1 Ų136.160%0.59576%0.762SS**  trans-70.744.5177.8-37.10000112.3E515E515-T517 VanDerWaalsContact CB-OG1 3.24Å; E515-T517 WeakPolarHBondContact CB-OG1 3.49Å; E515-T517 PolarHBondContact O-N 3.01Å; E515-T517 PolarHBondContact OE2-OG1 3.33Å
518V41.7Very low43.5Very low119 Ų119140.2 Ų140.272%0.72176%0.76SS**  trans-146.682.6-178.5-172.20000109.8P516P516-V518 PolarHBondContact O-N 3.2Å
519I37.1Very low43.8Very low159 Ų159137.8 Ų137.882%0.81576%0.757SS**  trans-177.537.5143.9-89.8149.9000109.8N521I519-N521 VanDerWaalsContact C-N 3.33Å; I519-N521 PolarHBondContact O-N 2.9Å
520S34.8Very low44.1Very low99 Ų99140.3 Ų140.369%0.69276%0.759SS**THydrogen-bonded Turntrans-92.555.4173.642.90000111.7
521N38.4Very low44Very low157 Ų157144.2 Ų144.284%0.8476%0.764SS**THydrogen-bonded Turntrans-153.27.1-179.9-103-43000115.9I519I519-N521 VanDerWaalsContact C-N 3.33Å; I519-N521 PolarHBondContact O-N 2.9Å
522M40.8Very low44.4Very low172 Ų172147.9 Ų147.985%0.84778%0.776SS**SBendtrans-94115158.9-83.6-173.4162.600107.9I524M522-I524 PolarHBondContact O-N 3.32Å
523L39.9Very low44.7Very low176 Ų176148.6 Ų148.692%0.92178%0.777SS**  trans-64.2104.1170.5-73.8106.5000108.8
524I49.2Very low44.9Very low157 Ų157145 Ų14581%0.80578%0.777SS**  trans-78114.9155-61.1177.2000105.2M522 S526M522-I524 PolarHBondContact O-N 3.32Å; I524-S526 PolarHBondContact O-N 3.16Å; I524-S526 VanDerWaalsContact O-N 3.15Å
525D47Very low45.2Very low105 Ų105147.6 Ų147.656%0.56178%0.781SS**  trans-63.8111.7173.3-176.8-5.5000109.2G527 Y528D525-G527 PolarHBondContact O-N 3.04Å; D525-G527 PolarHBondContact OD1-N 2.99Å; D525-Y528 PolarHBondContact O-N 3.18Å
526S53.2Low45.6Very low127 Ų127156.8 Ų156.889%0.88881%0.81SS**THydrogen-bonded Turntrans-73.8-1.6-179.451.40000113.6I524I524-S526 PolarHBondContact O-N 3.16Å; I524-S526 VanDerWaalsContact O-N 3.15Å
527G59.2Low45.5Very low58 Ų58158.4 Ų158.460%0.59881%0.81SS**THydrogen-bonded Turntrans-80.5-9.1171.600000115.2D525 S529D525-G527 PolarHBondContact O-N 3.04Å; D525-G527 PolarHBondContact OD1-N 2.99Å; G527-S529 PolarHBondContact O-N 3.49Å
528Y47Very low45.8Very low176 Ų176161.6 Ų161.669%0.6982%0.822SS**  trans-83.894.7-173.7-109.3-91.5000113.9D525 Y530D525-Y528 PolarHBondContact O-N 3.18Å; Y528-Y530 HydrophobicContact CD1-CD2 4.06Å; Y528-Y530 HydrophobicContact CE1-CD2 4.39Å; Y528-Y530 PolarHBondContact O-N 3.21Å; Y528-Y530 VanDerWaalsContact O-N 3.17Å
529S50.6Low46Very low118 Ų118164 Ų16483%0.82583%0.827SS**  trans-67105.6167.6-61.70000111G527G527-S529 PolarHBondContact O-N 3.49Å
530Y47.4Very low46.6Very low194 Ų194164.3 Ų164.376%0.76183%0.828SS**  trans-146.138.5179.9-125.2-77.6000114.7Y528Y528-Y530 HydrophobicContact CD1-CD2 4.06Å; Y528-Y530 HydrophobicContact CE1-CD2 4.39Å; Y528-Y530 PolarHBondContact O-N 3.21Å; Y528-Y530 VanDerWaalsContact O-N 3.17Å
531F43.4Very low47.3Very low203 Ų203168.4 Ų168.489%0.8984%0.837SS**  trans-142.196.4168.4-75.3-76.2000109.8
532D48.2Very low47.9Very low172 Ų172169.1 Ų169.192%0.9284%0.836SS**SBendtrans-164.1-13.9166.7-107.4-28000114
533E47.1Very low48.4Very low183 Ų183168.9 Ų168.986%0.85584%0.836SS**SBendtrans-114.7160.2175.5-64.7-171.9161.200112.6
534V47.7Very low49.1Very low139 Ų139168.4 Ų168.484%0.84283%0.829SS**  trans75.257.7-172.6-160.40000114.7
535Y48.6Very low49Very low231 Ų231169.3 Ų169.391%0.90683%0.831SS**  trans-144.265.8153.8-106.6-70.9000111.6
536W49.1Very low49.2Very low326 Ų326175.2 Ų175.2100%1.23586%0.856SS**  trans-146.10163-90.189.6000108.8

Retrieved 536 of 536 residues in 59.2 ms (Link to these results)