A0A087YPK4_POEFO Loading...

Paired box protein Pax-8

AlphaFold DB , UniProt , Accession A0A087YPK4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 462 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.8Very low49.3Very low234 Ų23495.2 Ų95.2100%1.15361%0.612SS**  0142.50-59.37399.600108.9G3M1-G3 PolarHBondContact O-N 3.22Å
2S43.8Very low50.1Low104 Ų10494.6 Ų94.673%0.72761%0.605SS**  trans-81.6110.4166.9-62.90000108.8G4S2-G4 PolarHBondContact O-N 3.05Å
3G43Very low50.2Low40 Ų4097 Ų9741%0.41261%0.611SS.*  trans-74.7112.2178.500000110.9M1 F11M1-G3 PolarHBondContact O-N 3.22Å; G3-F11 WeakPolarHBondContact O-CE1 3.46Å; G3-F11 WeakPolarHBondContact O-CZ 3.42Å
4G38.3Very low50.9Low69 Ų6996.4 Ų96.471%0.71163%0.633SS**  trans-72.8132.8173.300000111.7S2S2-G4 PolarHBondContact O-N 3.05Å
5T51.4Low52Low75 Ų75103 Ų10346%0.4664%0.64SS.*  trans-80162163.236.90000109.5R7 F11T5-R7 CarbonylContact O-C 3.38Å; T5-R7 PolarHBondContact O-N 3.39Å; T5-R7 PolarHBondContact OG1-O 2.98Å; T5-F11 HydrophobicContact CG2-CD1 4.5Å; T5-F11 HydrophobicContact CG2-CE1 3.53Å; T5-F11 HydrophobicContact CG2-CZ 3.55Å; T5-F11 VanDerWaalsContact OG1-CE1 3.27Å; T5-F11 WeakPolarHBondContact OG1-CE1 3.42Å
6G51.1Low53.2Low93 Ų93101.8 Ų101.896%0.95963%0.633SS**SBendtrans-61.410.5177.200000116.3
7R52.2Low54.5Low122 Ų12297.8 Ų97.846%0.4661%0.606SS.*SBendtrans-135.5110.6161-65.4-176.3175.9-172.4-1.4106.2T5 G9 S39 R43T5-R7 CarbonylContact O-C 3.38Å; T5-R7 PolarHBondContact O-N 3.39Å; T5-R7 PolarHBondContact OG1-O 2.98Å; R7-G9 PolarHBondContact O-N 2.62Å; R7-S39 PolarHBondContact NH1-O 3.34Å; R7-R43 HydrophobicContact CB-CB 4.3Å
8G50.1Low56Low42 Ų4296.1 Ų96.143%0.43360%0.597SS.*  trans-69.761.5-166.100000116.4R43G8-R43 PolarHBondContact O-NH1 3.12Å
9G56.8Low57.3Low24 Ų2494.7 Ų94.725%0.24758%0.583CS.*  trans-83.9139158.100000109.8R7 F11R7-G9 PolarHBondContact O-N 2.62Å; G9-F11 PolarHBondContact O-N 2.94Å
10M56.3Low58.7Low183 Ų18396 Ų9690%0.90159%0.59SS**  trans-75.4102.6169.2-82.1162.349.100109.5
11F58.7Low60Low61 Ų6193.8 Ų93.827%0.26857%0.574SS.*  trans-115.3152.6166.972.2-73.3000109.1G3 T5 G9 N13G3-F11 WeakPolarHBondContact O-CE1 3.46Å; G3-F11 WeakPolarHBondContact O-CZ 3.42Å; T5-F11 HydrophobicContact CG2-CD1 4.5Å; T5-F11 HydrophobicContact CG2-CE1 3.53Å; T5-F11 HydrophobicContact CG2-CZ 3.55Å; T5-F11 VanDerWaalsContact OG1-CE1 3.27Å; T5-F11 WeakPolarHBondContact OG1-CE1 3.42Å; G9-F11 PolarHBondContact O-N 2.94Å; F11-N13 WeakPolarHBondContact CE2-OD1 3.42Å
12V58.8Low62.2Low88 Ų8883.5 Ų83.553%0.53352%0.523SS..  trans-111.3117.6178-178.90000107.8G14 R15V12-G14 PolarHBondContact O-N 2.85Å; V12-R15 HydrophobicContact CB-CB 4.31Å; V12-R15 HydrophobicContact CB-CG 4.44Å; V12-R15 HydrophobicContact CG1-CG 4.13Å; V12-R15 PolarHBondContact O-N 2.76Å; V12-R15 VanDerWaalsContact O-N 3.09Å
13N51.8Low64.3Low126 Ų12682 Ų8267%0.67450%0.504SS*.THydrogen-bonded Turntrans-52.3132.5177.1-85.6-43.2000110.8F11 R15F11-N13 WeakPolarHBondContact CE2-OD1 3.42Å; N13-R15 VanDerWaalsContact C-N 3.34Å; N13-R15 PolarHBondContact O-N 2.67Å
14G59.6Low66.5Low89 Ų8986 Ų8692%0.91851%0.507SS*.THydrogen-bonded Turntrans81.1-3.8-17900000116.3V12V12-G14 PolarHBondContact O-N 2.85Å
15R67.9Low68.9Low195 Ų19582.8 Ų82.874%0.73647%0.473SS*.SBendtrans-106.8146.3174.3-64.2-168.3178.3-146.3-1.9111.7V12 N13V12-R15 HydrophobicContact CB-CB 4.31Å; V12-R15 HydrophobicContact CB-CG 4.44Å; V12-R15 HydrophobicContact CG1-CG 4.13Å; V12-R15 PolarHBondContact O-N 2.76Å; V12-R15 VanDerWaalsContact O-N 3.09Å; N13-R15 VanDerWaalsContact C-N 3.34Å; N13-R15 PolarHBondContact O-N 2.67Å
16P70.6Confident70.8Confident83 Ų8379.2 Ų79.254%0.53945%0.452SS..PPolyproline II helixtrans-63.1148.2173.427.6-34.5000110.8P64P16-P64 HydrophobicContact CB-CB 4.16Å
17L74.8Confident72.8Confident34 Ų3477 Ų7718%0.17842%0.418CS..PPolyproline II helixtrans-57.3134.4177.1-16971.5000110.2I21 R22 I25 V44 I52L17-I21 HydrophobicContact CD1-CD1 4.29Å; L17-I21 HydrophobicContact CD2-CB 4.17Å; L17-I21 HydrophobicContact CD2-CG2 3.81Å; L17-I21 HydrophobicContact CG-CB 4.19Å; L17-I21 HydrophobicContact CG-CG2 4.25Å; L17-R22 HydrophobicContact CB-CG 4.27Å; L17-R22 HydrophobicContact CD2-CG 4.24Å; L17-R22 HydrophobicContact CG-CG 4.45Å; L17-R22 WeakPolarHBondContact O-CD 3.49Å; L17-I25 HydrophobicContact CD2-CD1 4.05Å; L17-V44 HydrophobicContact CD1-CG2 4.39Å; L17-V44 HydrophobicContact CD2-CG1 3.98Å; L17-V44 HydrophobicContact CD2-CG2 3.96Å; L17-I52 HydrophobicContact CD2-CD1 3.93Å
18P81.6Confident74.6Confident68 Ų6871.3 Ų71.344%0.44240%0.396SS..PPolyproline II helixtrans-52.9138.4-177.4-28.935000113.4V20 I21 R22P18-V20 VanDerWaalsContact C-N 3.28Å; P18-V20 PolarHBondContact O-N 2.91Å; P18-I21 HydrophobicContact CB-CD1 4.37Å; P18-I21 HydrophobicContact CB-CG1 4.38Å; P18-I21 HydrophobicContact CG-CD1 4.27Å; P18-I21 PolarHBondContact O-N 3.49Å; P18-R22 PolarHBondContact O-N 2.93Å
19E81.9Confident76.5Confident70 Ų7070.1 Ų70.133%0.32738%0.382SS..Hα-helixtrans-54.3-43.1-171.4-174.767.897.800112.9I21 R22 Q23 I62E19-I21 PolarHBondContact O-N 2.77Å; E19-I21 VanDerWaalsContact O-N 3.15Å; E19-R22 WeakPolarHBondContact O-CA 3.35Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 2.91Å; E19-R22 IonicContact OE1-CZ 2.67Å; E19-R22 IonicContact OE1-NH2 2.92Å; E19-R22 PolarHBondContact OE1-NH2 2.99Å; E19-R22 IonicContact OE2-CZ 3.21Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.04Å; E19-R22 IonicContact OE2-NH2 2.82Å; E19-R22 PolarHBondContact OE2-NH2 3.26Å; E19-Q23 PolarHBondContact O-N 3.23Å; E19-I62 HydrophobicContact CG-CD1 4.28Å
20V84.3Confident78.1Confident120 Ų12074.2 Ų74.273%0.72740%0.395SS*.Hα-helixtrans-53-38.1177.8-175.30000112.2P18 R24P18-V20 VanDerWaalsContact C-N 3.28Å; P18-V20 PolarHBondContact O-N 2.91Å; V20-R24 VanDerWaalsContact O-CB 3.31Å; V20-R24 WeakPolarHBondContact O-CB 3.45Å; V20-R24 PolarHBondContact O-N 3.16Å
21I86.1Confident79.9Confident50 Ų5071.5 Ų71.526%0.25638%0.38SS..Hα-helixtrans-75.2-32.9179.5-52.4-179.4000110.7L17 P18 E19 R24 I25 L42 V44L17-I21 HydrophobicContact CD1-CD1 4.29Å; L17-I21 HydrophobicContact CD2-CB 4.17Å; L17-I21 HydrophobicContact CD2-CG2 3.81Å; L17-I21 HydrophobicContact CG-CB 4.19Å; L17-I21 HydrophobicContact CG-CG2 4.25Å; P18-I21 HydrophobicContact CB-CD1 4.37Å; P18-I21 HydrophobicContact CB-CG1 4.38Å; P18-I21 HydrophobicContact CG-CD1 4.27Å; P18-I21 PolarHBondContact O-N 3.49Å; E19-I21 PolarHBondContact O-N 2.77Å; E19-I21 VanDerWaalsContact O-N 3.15Å; I21-R24 PolarHBondContact O-N 3.44Å; I21-I25 HydrophobicContact CG2-CD1 4.46Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.43Å; I21-I25 PolarHBondContact O-N 2.86Å; I21-L42 HydrophobicContact CG2-CB 4.41Å; I21-L42 HydrophobicContact CG2-CD1 4.34Å; I21-V44 HydrophobicContact CG2-CG2 3.7Å
22R87.3Confident81.3Confident17 Ų1771.6 Ų71.66%0.06440%0.398CS..Hα-helixtrans-74.5-41.7178.5-52.3-168.3-57.8-156.90.7112.2L17 P18 E19 R24 I25 V26 I52 I62 P64L17-R22 HydrophobicContact CB-CG 4.27Å; L17-R22 HydrophobicContact CD2-CG 4.24Å; L17-R22 HydrophobicContact CG-CG 4.45Å; L17-R22 WeakPolarHBondContact O-CD 3.49Å; P18-R22 PolarHBondContact O-N 2.93Å; E19-R22 WeakPolarHBondContact O-CA 3.35Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 2.91Å; E19-R22 IonicContact OE1-CZ 2.67Å; E19-R22 IonicContact OE1-NH2 2.92Å; E19-R22 PolarHBondContact OE1-NH2 2.99Å; E19-R22 IonicContact OE2-CZ 3.21Å; E19-R22 IonicContact OE2-NE 2.76Å; E19-R22 PolarHBondContact OE2-NE 3.04Å; E19-R22 IonicContact OE2-NH2 2.82Å; E19-R22 PolarHBondContact OE2-NH2 3.26Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.23Å; R22-I25 WeakPolarHBondContact O-CB 3.26Å; R22-I25 PolarHBondContact O-N 3.39Å; R22-V26 PolarHBondContact O-N 2.96Å; R22-V26 VanDerWaalsContact O-N 3.16Å; R22-I52 HydrophobicContact CB-CD1 4.38Å; R22-I52 HydrophobicContact CB-CG2 4.37Å; R22-I52 HydrophobicContact CG-CD1 3.89Å; R22-I62 PolarHBondContact NE-O 2.99Å; R22-I62 VanDerWaalsContact NE-O 3.13Å; R22-I62 PolarHBondContact NH2-O 2.96Å; R22-P64 VanDerWaalsContact NH1-CG 3.35Å
23Q87.6Confident82.9Confident74 Ų7469.2 Ų69.235%0.34638%0.384SS..Hα-helixtrans-55.3-50168.3-173.760.940.800109.3E19 I25 V26 D27E19-Q23 PolarHBondContact O-N 3.23Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 2.87Å; Q23-V26 CarbonylContact O-C 3.6Å; Q23-V26 WeakPolarHBondContact O-CA 3.27Å; Q23-V26 WeakPolarHBondContact O-CB 3.5Å; Q23-V26 PolarHBondContact O-N 3.31Å; Q23-D27 PolarHBondContact NE2-OD1 3.46Å; Q23-D27 PolarHBondContact O-N 2.92Å
24R88.4Confident84.9Confident124 Ų12471.5 Ų71.547%0.46838%0.383SS..Hα-helixtrans-62-33.3179.2-166.761.4176.7-166.31.5114V20 I21 R22 M28 L42V20-R24 VanDerWaalsContact O-CB 3.31Å; V20-R24 WeakPolarHBondContact O-CB 3.45Å; V20-R24 PolarHBondContact O-N 3.16Å; I21-R24 PolarHBondContact O-N 3.44Å; R22-R24 VanDerWaalsContact C-N 3.29Å; R22-R24 PolarHBondContact O-N 3.23Å; R24-M28 HydrophobicContact CG-CG 4.41Å; R24-M28 HydrophobicContact CG-SD 4Å; R24-M28 WeakPolarHBondContact O-CB 3.46Å; R24-M28 WeakPolarHBondContact O-CG 3.32Å; R24-M28 PolarHBondContact O-N 3.1Å; R24-M28 VanDerWaalsContact O-N 3.08Å; R24-L42 HydrophobicContact CB-CD1 4.25Å; R24-L42 HydrophobicContact CB-CD2 4.5Å; R24-L42 HydrophobicContact CG-CD1 4.12Å; R24-L42 HydrophobicContact CG-CD2 3.78Å
25I90.4Very high86.3Confident0 Ų070 Ų700%036%0.356CS..Hα-helixtrans-60.1-45.3171.2-76.3163.5000110.8L17 I21 R22 Q23 A29 I38 L42 V44 V49 I52 L53L17-I25 HydrophobicContact CD2-CD1 4.05Å; I21-I25 HydrophobicContact CG2-CD1 4.46Å; I21-I25 VanDerWaalsContact O-CG1 3.29Å; I21-I25 WeakPolarHBondContact O-CG1 3.43Å; I21-I25 PolarHBondContact O-N 2.86Å; R22-I25 WeakPolarHBondContact O-CB 3.26Å; R22-I25 PolarHBondContact O-N 3.39Å; Q23-I25 VanDerWaalsContact C-N 3.31Å; Q23-I25 PolarHBondContact O-N 2.87Å; I25-A29 PolarHBondContact O-N 2.96Å; I25-A29 VanDerWaalsContact O-N 3.16Å; I25-I38 HydrophobicContact CB-CG2 4.23Å; I25-I38 HydrophobicContact CG1-CG2 3.78Å; I25-I38 HydrophobicContact CG2-CG2 4.35Å; I25-L42 HydrophobicContact CB-CD1 4.48Å; I25-L42 HydrophobicContact CG1-CD1 3.54Å; I25-V44 HydrophobicContact CD1-CG1 4.33Å; I25-V49 HydrophobicContact CD1-CG2 4.14Å; I25-V49 HydrophobicContact CG1-CG2 4.4Å; I25-V49 HydrophobicContact CG2-CG1 4.02Å; I25-I52 HydrophobicContact CB-CG2 4.42Å; I25-I52 HydrophobicContact CD1-CD1 3.59Å; I25-I52 HydrophobicContact CG2-CB 4.34Å; I25-I52 HydrophobicContact CG2-CG2 3.91Å; I25-L53 HydrophobicContact CG2-CD1 4.4Å; I25-L53 HydrophobicContact CG2-CD2 3.75Å; I25-L53 HydrophobicContact CG2-CG 3.82Å
26V90.6Very high87.4Confident1 Ų162.4 Ų62.41%0.00633%0.333CS..Hα-helixtrans-70.3-46.8179.1171.60000111.3R22 Q23 M28 A29 H30 I52 L53 Y56 I62R22-V26 PolarHBondContact O-N 2.96Å; R22-V26 VanDerWaalsContact O-N 3.16Å; Q23-V26 CarbonylContact O-C 3.6Å; Q23-V26 WeakPolarHBondContact O-CA 3.27Å; Q23-V26 WeakPolarHBondContact O-CB 3.5Å; Q23-V26 PolarHBondContact O-N 3.31Å; V26-M28 VanDerWaalsContact C-N 3.26Å; V26-M28 PolarHBondContact O-N 2.91Å; V26-A29 PolarHBondContact O-N 2.95Å; V26-A29 VanDerWaalsContact O-N 3.08Å; V26-H30 WeakPolarHBondContact CG1-CE1 3.26Å; V26-H30 PolarHBondContact O-N 3.44Å; V26-I52 HydrophobicContact CG2-CG2 4.41Å; V26-L53 HydrophobicContact CG2-CD2 4.25Å; V26-Y56 HydrophobicContact CG1-CD1 3.86Å; V26-Y56 HydrophobicContact CG1-CD2 3.97Å; V26-Y56 HydrophobicContact CG1-CE1 3.68Å; V26-Y56 HydrophobicContact CG1-CE2 3.8Å; V26-Y56 HydrophobicContact CG1-CG 4.01Å; V26-Y56 HydrophobicContact CG2-CD1 4.23Å; V26-Y56 HydrophobicContact CG2-CD2 3.83Å; V26-Y56 HydrophobicContact CG2-CE2 4.46Å; V26-Y56 HydrophobicContact CG2-CG 3.71Å; V26-I62 HydrophobicContact CG2-CG2 4.09Å
27D92.3Very high88.4Confident46 Ų4660.8 Ų60.825%0.24632%0.32CS..Hα-helixtrans-54.8-43.8178.1-57.5-27.7000111.4Q23 H30 Q31Q23-D27 PolarHBondContact NE2-OD1 3.46Å; Q23-D27 PolarHBondContact O-N 2.92Å; D27-H30 PolarHBondContact O-N 3.27Å; D27-Q31 VanDerWaalsContact C-NE2 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.41Å; D27-Q31 PolarHBondContact O-N 2.97Å; D27-Q31 VanDerWaalsContact O-N 3.12Å; D27-Q31 PolarHBondContact O-NE2 2.85Å
28M90.4Very high89.1Confident3 Ų359.1 Ų59.12%0.01531%0.311CS..Hα-helixtrans-70.9-34.9179.3-70.4174.968.600112.4R24 V26 Q31 G32 V33 I38 Q41 L42R24-M28 HydrophobicContact CG-CG 4.41Å; R24-M28 HydrophobicContact CG-SD 4Å; R24-M28 WeakPolarHBondContact O-CB 3.46Å; R24-M28 WeakPolarHBondContact O-CG 3.32Å; R24-M28 PolarHBondContact O-N 3.1Å; R24-M28 VanDerWaalsContact O-N 3.08Å; V26-M28 VanDerWaalsContact C-N 3.26Å; V26-M28 PolarHBondContact O-N 2.91Å; M28-Q31 CarbonylContact O-C 3.6Å; M28-Q31 WeakPolarHBondContact O-CB 3.48Å; M28-Q31 PolarHBondContact O-N 3.31Å; M28-G32 PolarHBondContact O-N 3.14Å; M28-V33 HydrophobicContact CB-CB 4.24Å; M28-V33 HydrophobicContact CB-CG2 4.34Å; M28-V33 HydrophobicContact CE-CG1 4.11Å; M28-V33 VanDerWaalsContact O-CB 3.23Å; M28-V33 WeakPolarHBondContact O-CB 3.26Å; M28-V33 WeakPolarHBondContact O-CG2 3.26Å; M28-V33 PolarHBondContact O-N 3.12Å; M28-I38 HydrophobicContact CB-CD1 3.95Å; M28-I38 HydrophobicContact CB-CG1 3.89Å; M28-I38 HydrophobicContact CE-CB 4.49Å; M28-I38 HydrophobicContact CE-CG1 4.13Å; M28-I38 HydrophobicContact SD-CG2 4.47Å; M28-Q41 HydrophobicContact CE-CB 4.15Å; M28-Q41 HydrophobicContact CE-CG 4.41Å; M28-L42 HydrophobicContact SD-CD1 3.97Å; M28-L42 HydrophobicContact SD-CD2 4.08Å; M28-L42 HydrophobicContact SD-CG 4.04Å
29A91.2Very high89.6Confident16 Ų1656.2 Ų56.213%0.13229%0.293CS..Hα-helixtrans-67.1-36.9174.100000111.9I25 V26 Q31 G32 I38 L53I25-A29 PolarHBondContact O-N 2.96Å; I25-A29 VanDerWaalsContact O-N 3.16Å; V26-A29 PolarHBondContact O-N 2.95Å; V26-A29 VanDerWaalsContact O-N 3.08Å; A29-Q31 VanDerWaalsContact C-N 3.3Å; A29-Q31 PolarHBondContact O-N 2.72Å; A29-G32 PolarHBondContact O-N 3.32Å; A29-I38 HydrophobicContact CB-CD1 4.02Å; A29-L53 HydrophobicContact CB-CD1 4.06Å; A29-L53 HydrophobicContact CB-CD2 3.52Å; A29-L53 HydrophobicContact CB-CG 4.47Å
30H90.5Very high89.9Confident111 Ų11158.8 Ų58.851%0.51430%0.299SS..Hα-helixtrans-65.6-30.2171.3-66.7154.9000113.3V26 D27 G32 Y56V26-H30 WeakPolarHBondContact CG1-CE1 3.26Å; V26-H30 PolarHBondContact O-N 3.44Å; D27-H30 PolarHBondContact O-N 3.27Å; H30-G32 PolarHBondContact O-N 3.25Å; H30-Y56 AromaticContact CE1-CE1 3.54Å; H30-Y56 AromaticContact CE1-CZ 3.72Å; H30-Y56 PolarHBondContact CE1-OH 3.21Å; H30-Y56 AromaticContact NE2-CE1 3.32Å; H30-Y56 VanDerWaalsContact NE2-CE1 3.32Å; H30-Y56 WeakPolarHBondContact NE2-CE1 3.5Å; H30-Y56 AromaticContact NE2-CZ 3.96Å
31Q92.3Very high90Very high125 Ų12559.2 Ų59.258%0.58429%0.294SS*.THydrogen-bonded Turntrans-74.77.4170.1-70.3158.763.400113.2D27 M28 A29 V33D27-Q31 VanDerWaalsContact C-NE2 3.3Å; D27-Q31 WeakPolarHBondContact O-CG 3.41Å; D27-Q31 PolarHBondContact O-N 2.97Å; D27-Q31 VanDerWaalsContact O-N 3.12Å; D27-Q31 PolarHBondContact O-NE2 2.85Å; M28-Q31 CarbonylContact O-C 3.6Å; M28-Q31 WeakPolarHBondContact O-CB 3.48Å; M28-Q31 PolarHBondContact O-N 3.31Å; A29-Q31 VanDerWaalsContact C-N 3.3Å; A29-Q31 PolarHBondContact O-N 2.72Å; Q31-V33 VanDerWaalsContact C-N 3.25Å; Q31-V33 HydrophobicContact CB-CG2 4.19Å; Q31-V33 PolarHBondContact O-N 2.92Å
32G89.9Confident90Very high63 Ų6358.9 Ų58.965%0.64929%0.292SS*.THydrogen-bonded Turntrans74.38.2-179.200000114.7M28 A29 H30 R34M28-G32 PolarHBondContact O-N 3.14Å; A29-G32 PolarHBondContact O-N 3.32Å; H30-G32 PolarHBondContact O-N 3.25Å; G32-R34 PolarHBondContact O-N 3.2Å
33V91.8Very high90.1Very high39 Ų3964.6 Ų64.624%0.23631%0.313CS..  trans-70.3128.2-179.3-173.60000109.7M28 Q31 D37 I38M28-V33 HydrophobicContact CB-CB 4.24Å; M28-V33 HydrophobicContact CB-CG2 4.34Å; M28-V33 HydrophobicContact CE-CG1 4.11Å; M28-V33 VanDerWaalsContact O-CB 3.23Å; M28-V33 WeakPolarHBondContact O-CB 3.26Å; M28-V33 WeakPolarHBondContact O-CG2 3.26Å; M28-V33 PolarHBondContact O-N 3.12Å; Q31-V33 VanDerWaalsContact C-N 3.25Å; Q31-V33 HydrophobicContact CB-CG2 4.19Å; Q31-V33 PolarHBondContact O-N 2.92Å; V33-D37 HydrophobicContact CG1-CB 3.78Å; V33-I38 HydrophobicContact CB-CG1 4.16Å; V33-I38 HydrophobicContact CG1-CG1 3.92Å; V33-I38 WeakPolarHBondContact O-CD1 3.39Å
34R92.8Very high90.1Very high174 Ų17461.7 Ų61.766%0.65730%0.301SS*.  trans-63140.6-176.8-58.2178.874-170.84.6110.8G32 C36 D37 I38G32-R34 PolarHBondContact O-N 3.2Å; R34-C36 PolarHBondContact O-N 2.93Å; R34-D37 WeakPolarHBondContact O-CA 3.32Å; R34-D37 WeakPolarHBondContact O-CB 3.5Å; R34-D37 PolarHBondContact O-N 2.92Å; R34-I38 PolarHBondContact O-N 3.44Å; R34-I38 VanDerWaalsContact O-N 3.09Å
35P89.5Confident90.1Very high56 Ų5659.7 Ų59.736%0.36431%0.306SS..Hα-helixtrans-54.9-27.9-179.5-30.236.4000115.5S39 V49 L53P35-S39 VanDerWaalsContact O-CB 3.31Å; P35-S39 WeakPolarHBondContact O-CB 3.47Å; P35-S39 PolarHBondContact O-N 3.37Å; P35-V49 HydrophobicContact CB-CG1 4.09Å; P35-L53 HydrophobicContact CB-CD1 4.36Å; P35-L53 HydrophobicContact CG-CD1 4.02Å
36C91.4Very high90.1Very high37 Ų3764.6 Ų64.625%0.2533%0.329CS..Hα-helixtrans-71.5-29174.556.90000113.4R34 R40R34-C36 PolarHBondContact O-N 2.93Å; C36-R40 WeakPolarHBondContact O-CG 3.45Å; C36-R40 PolarHBondContact O-N 3.33Å; C36-R40 PolarHBondContact O-NE 3Å; C36-R40 PolarHBondContact SG-NH2 2.93Å; C36-R40 VanDerWaalsContact SG-NH2 3.45Å
37D91.6Very high90Very high48 Ų4866.9 Ų66.926%0.25735%0.352SS..Hα-helixtrans-80.6-38.3173.2-70.9-63.5000112.1V33 R34 S39 R40 Q41V33-D37 HydrophobicContact CG1-CB 3.78Å; R34-D37 WeakPolarHBondContact O-CA 3.32Å; R34-D37 WeakPolarHBondContact O-CB 3.5Å; R34-D37 PolarHBondContact O-N 2.92Å; D37-S39 VanDerWaalsContact C-N 3.27Å; D37-S39 PolarHBondContact O-N 3.01Å; D37-R40 WeakPolarHBondContact O-CB 3.48Å; D37-R40 PolarHBondContact O-N 3.09Å; D37-R40 IonicContact OD1-CZ 2.82Å; D37-R40 IonicContact OD1-NE 2.74Å; D37-R40 PolarHBondContact OD1-NE 3.21Å; D37-R40 IonicContact OD1-NH2 3.18Å; D37-R40 PolarHBondContact OD1-NH2 3.2Å; D37-R40 IonicContact OD2-NH2 3.89Å; D37-R40 PolarHBondContact OD2-NH2 2.7Å; D37-Q41 WeakPolarHBondContact O-CG 3.25Å; D37-Q41 PolarHBondContact O-N 2.73Å
38I90.3Very high89.8Confident0 Ų066.5 Ų66.50%035%0.353CS..Hα-helixtrans-55.9-45.4169.3-57.3177000110.1I25 M28 A29 V33 R34 R40 Q41 L42 V49 L53I25-I38 HydrophobicContact CB-CG2 4.23Å; I25-I38 HydrophobicContact CG1-CG2 3.78Å; I25-I38 HydrophobicContact CG2-CG2 4.35Å; M28-I38 HydrophobicContact CB-CD1 3.95Å; M28-I38 HydrophobicContact CB-CG1 3.89Å; M28-I38 HydrophobicContact CE-CB 4.49Å; M28-I38 HydrophobicContact CE-CG1 4.13Å; M28-I38 HydrophobicContact SD-CG2 4.47Å; A29-I38 HydrophobicContact CB-CD1 4.02Å; V33-I38 HydrophobicContact CB-CG1 4.16Å; V33-I38 HydrophobicContact CG1-CG1 3.92Å; V33-I38 WeakPolarHBondContact O-CD1 3.39Å; R34-I38 PolarHBondContact O-N 3.44Å; R34-I38 VanDerWaalsContact O-N 3.09Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.25Å; I38-Q41 PolarHBondContact O-N 3.38Å; I38-L42 HydrophobicContact CG2-CD1 3.74Å; I38-L42 HydrophobicContact CG2-CG 4.39Å; I38-L42 WeakPolarHBondContact O-CB 3.41Å; I38-L42 PolarHBondContact O-N 3.34Å; I38-V49 HydrophobicContact CB-CG1 4.19Å; I38-V49 HydrophobicContact CG2-CG1 4Å; I38-V49 HydrophobicContact CG2-CG2 4.29Å; I38-L53 HydrophobicContact CD1-CD1 4.48Å
39S91.3Very high89.8Confident7 Ų766.4 Ų66.45%0.04935%0.352CS..Hα-helixtrans-64-29.7175177.10000114.2R7 P35 D37 V44 H46R7-S39 PolarHBondContact NH1-O 3.34Å; P35-S39 VanDerWaalsContact O-CB 3.31Å; P35-S39 WeakPolarHBondContact O-CB 3.47Å; P35-S39 PolarHBondContact O-N 3.37Å; D37-S39 VanDerWaalsContact C-N 3.27Å; D37-S39 PolarHBondContact O-N 3.01Å; S39-V44 WeakPolarHBondContact CA-O 3.39Å; S39-V44 WeakPolarHBondContact CB-O 3.43Å; S39-V44 PolarHBondContact OG-O 2.92Å; S39-H46 PolarHBondContact OG-N 3.14Å
40R87.7Confident89.7Confident124 Ų12468.9 Ų68.947%0.46837%0.369SS..Hα-helixtrans-73-55.4171.8-78.5-179.8-83.9-93.74111.4C36 D37 I38 R43C36-R40 WeakPolarHBondContact O-CG 3.45Å; C36-R40 PolarHBondContact O-N 3.33Å; C36-R40 PolarHBondContact O-NE 3Å; C36-R40 PolarHBondContact SG-NH2 2.93Å; C36-R40 VanDerWaalsContact SG-NH2 3.45Å; D37-R40 WeakPolarHBondContact O-CB 3.48Å; D37-R40 PolarHBondContact O-N 3.09Å; D37-R40 IonicContact OD1-CZ 2.82Å; D37-R40 IonicContact OD1-NE 2.74Å; D37-R40 PolarHBondContact OD1-NE 3.21Å; D37-R40 IonicContact OD1-NH2 3.18Å; D37-R40 PolarHBondContact OD1-NH2 3.2Å; D37-R40 IonicContact OD2-NH2 3.89Å; D37-R40 PolarHBondContact OD2-NH2 2.7Å; I38-R40 VanDerWaalsContact C-N 3.33Å; I38-R40 PolarHBondContact O-N 3.25Å; R40-R43 PolarHBondContact O-N 3.4Å
41Q87.4Confident89.6Confident129 Ų12971.1 Ų71.160%0.60338%0.377SS*.Hα-helixtrans-67.1-45.4-171.8-66.2-177.324.300112.7M28 D37 I38 R43M28-Q41 HydrophobicContact CE-CB 4.15Å; M28-Q41 HydrophobicContact CE-CG 4.41Å; D37-Q41 WeakPolarHBondContact O-CG 3.25Å; D37-Q41 PolarHBondContact O-N 2.73Å; I38-Q41 PolarHBondContact O-N 3.38Å; Q41-R43 VanDerWaalsContact C-N 3.27Å; Q41-R43 PolarHBondContact O-N 2.89Å
42L86.4Confident89.4Confident43 Ų4366.2 Ų66.223%0.22535%0.354CS..THydrogen-bonded Turntrans-84.1-1.7-178.7-56-179.8000113.3I21 R24 I25 M28 I38 V44I21-L42 HydrophobicContact CG2-CB 4.41Å; I21-L42 HydrophobicContact CG2-CD1 4.34Å; R24-L42 HydrophobicContact CB-CD1 4.25Å; R24-L42 HydrophobicContact CB-CD2 4.5Å; R24-L42 HydrophobicContact CG-CD1 4.12Å; R24-L42 HydrophobicContact CG-CD2 3.78Å; I25-L42 HydrophobicContact CB-CD1 4.48Å; I25-L42 HydrophobicContact CG1-CD1 3.54Å; M28-L42 HydrophobicContact SD-CD1 3.97Å; M28-L42 HydrophobicContact SD-CD2 4.08Å; M28-L42 HydrophobicContact SD-CG 4.04Å; I38-L42 HydrophobicContact CG2-CD1 3.74Å; I38-L42 HydrophobicContact CG2-CG 4.39Å; I38-L42 WeakPolarHBondContact O-CB 3.41Å; I38-L42 PolarHBondContact O-N 3.34Å; L42-V44 HydrophobicContact CB-CG2 3.99Å; L42-V44 PolarHBondContact O-N 2.89Å; L42-V44 VanDerWaalsContact O-N 3.12Å
43R88.2Confident89.3Confident136 Ų13663.7 Ų63.751%0.51333%0.326SS..  trans57.418.8-175.6-44.2-17799176.213.9114.2R7 G8 R40 Q41R7-R43 HydrophobicContact CB-CB 4.3Å; G8-R43 PolarHBondContact O-NH1 3.12Å; R40-R43 PolarHBondContact O-N 3.4Å; Q41-R43 VanDerWaalsContact C-N 3.27Å; Q41-R43 PolarHBondContact O-N 2.89Å
44V86.9Confident89.1Confident13 Ų1363.6 Ų63.68%0.07933%0.333CS..  trans-87.3146.2179.7179.30000110.9L17 I21 I25 S39 L42 C48 V49L17-V44 HydrophobicContact CD1-CG2 4.39Å; L17-V44 HydrophobicContact CD2-CG1 3.98Å; L17-V44 HydrophobicContact CD2-CG2 3.96Å; I21-V44 HydrophobicContact CG2-CG2 3.7Å; I25-V44 HydrophobicContact CD1-CG1 4.33Å; S39-V44 WeakPolarHBondContact CA-O 3.39Å; S39-V44 WeakPolarHBondContact CB-O 3.43Å; S39-V44 PolarHBondContact OG-O 2.92Å; L42-V44 HydrophobicContact CB-CG2 3.99Å; L42-V44 PolarHBondContact O-N 2.89Å; L42-V44 VanDerWaalsContact O-N 3.12Å; V44-C48 HydrophobicContact CG1-CB 3.73Å; V44-V49 HydrophobicContact CB-CG2 4.12Å; V44-V49 HydrophobicContact CG1-CG2 3.92Å
45S88.4Confident88.7Confident82 Ų8259 Ų5957%0.57332%0.316SS*.  trans-64.7141.5177.267.40000112.2G47 C48 V49S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.35Å; S45-C48 WeakPolarHBondContact O-CA 3.28Å; S45-C48 WeakPolarHBondContact O-CB 3.47Å; S45-C48 PolarHBondContact O-N 2.9Å; S45-C48 WeakPolarHBondContact OG-CB 3.46Å; S45-V49 PolarHBondContact O-N 2.89Å; S45-V49 VanDerWaalsContact O-N 3.1Å
46H91.3Very high88.5Confident104 Ų10459.3 Ų59.348%0.48131%0.31SS..Hα-helixtrans-57.9-40.2-175.3-175.6-107.2000112.7S39 C48 V49 S50S39-H46 PolarHBondContact OG-N 3.14Å; H46-C48 VanDerWaalsContact C-N 3.27Å; H46-C48 PolarHBondContact O-N 3.25Å; H46-V49 PolarHBondContact O-N 3.01Å; H46-S50 WeakPolarHBondContact O-CB 3.47Å; H46-S50 PolarHBondContact O-N 3.46Å
47G89.1Confident88.2Confident49 Ų4964.9 Ų64.951%0.50533%0.327SS..Hα-helixtrans-66.2-23.9175.300000114.3S45 K51S45-G47 VanDerWaalsContact C-N 3.29Å; S45-G47 PolarHBondContact O-N 3.35Å; G47-K51 VanDerWaalsContact O-CB 3.23Å; G47-K51 WeakPolarHBondContact O-CB 3.44Å; G47-K51 PolarHBondContact O-N 2.79Å; G47-K51 VanDerWaalsContact O-N 3.16Å
48C86.9Confident87.7Confident38 Ų3870.3 Ų70.326%0.25735%0.35SS..Hα-helixtrans-77.9-44.3172.5-176.80000111.1V44 S45 H46 S50 K51 I52V44-C48 HydrophobicContact CG1-CB 3.73Å; S45-C48 WeakPolarHBondContact O-CA 3.28Å; S45-C48 WeakPolarHBondContact O-CB 3.47Å; S45-C48 PolarHBondContact O-N 2.9Å; S45-C48 WeakPolarHBondContact OG-CB 3.46Å; H46-C48 VanDerWaalsContact C-N 3.27Å; H46-C48 PolarHBondContact O-N 3.25Å; C48-S50 PolarHBondContact O-N 2.9Å; C48-K51 PolarHBondContact O-N 3.37Å; C48-I52 WeakPolarHBondContact O-CG1 3.35Å; C48-I52 PolarHBondContact O-N 3.35Å
49V91.2Very high87.3Confident0 Ų074 Ų740%037%0.373CS..Hα-helixtrans-56.4-51172.9177.60000110.7I25 P35 I38 V44 S45 H46 K51 I52 L53I25-V49 HydrophobicContact CD1-CG2 4.14Å; I25-V49 HydrophobicContact CG1-CG2 4.4Å; I25-V49 HydrophobicContact CG2-CG1 4.02Å; P35-V49 HydrophobicContact CB-CG1 4.09Å; I38-V49 HydrophobicContact CB-CG1 4.19Å; I38-V49 HydrophobicContact CG2-CG1 4Å; I38-V49 HydrophobicContact CG2-CG2 4.29Å; V44-V49 HydrophobicContact CB-CG2 4.12Å; V44-V49 HydrophobicContact CG1-CG2 3.92Å; S45-V49 PolarHBondContact O-N 2.89Å; S45-V49 VanDerWaalsContact O-N 3.1Å; H46-V49 PolarHBondContact O-N 3.01Å; V49-K51 PolarHBondContact O-N 3.11Å; V49-I52 PolarHBondContact O-N 2.99Å; V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.45Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3Å
50S89.6Confident86.6Confident68 Ų6876.1 Ų76.148%0.47640%0.396SS..Hα-helixtrans-58.9-42.7177.41710000112.7H46 C48 L53 G54H46-S50 WeakPolarHBondContact O-CB 3.47Å; H46-S50 PolarHBondContact O-N 3.46Å; C48-S50 PolarHBondContact O-N 2.9Å; S50-L53 PolarHBondContact O-N 3.49Å; S50-G54 PolarHBondContact O-N 3.15Å
51K88.4Confident85.9Confident159 Ų15972.2 Ų72.269%0.69139%0.388SS*.Hα-helixtrans-69.1-32.2178.8-174.2169-67-1720113.3G47 C48 V49 R55G47-K51 VanDerWaalsContact O-CB 3.23Å; G47-K51 WeakPolarHBondContact O-CB 3.44Å; G47-K51 PolarHBondContact O-N 2.79Å; G47-K51 VanDerWaalsContact O-N 3.16Å; C48-K51 PolarHBondContact O-N 3.37Å; V49-K51 PolarHBondContact O-N 3.11Å; K51-R55 WeakPolarHBondContact O-CB 3.41Å; K51-R55 VanDerWaalsContact O-CG 3.28Å; K51-R55 WeakPolarHBondContact O-CG 3.5Å; K51-R55 PolarHBondContact O-N 3.27Å
52I87.9Confident85.3Confident21 Ų2168 Ų6811%0.10837%0.369CS..Hα-helixtrans-71.6-47.5173.9-70.5162.8000110.2L17 R22 I25 V26 C48 V49 R55 Y56L17-I52 HydrophobicContact CD2-CD1 3.93Å; R22-I52 HydrophobicContact CB-CD1 4.38Å; R22-I52 HydrophobicContact CB-CG2 4.37Å; R22-I52 HydrophobicContact CG-CD1 3.89Å; I25-I52 HydrophobicContact CB-CG2 4.42Å; I25-I52 HydrophobicContact CD1-CD1 3.59Å; I25-I52 HydrophobicContact CG2-CB 4.34Å; I25-I52 HydrophobicContact CG2-CG2 3.91Å; V26-I52 HydrophobicContact CG2-CG2 4.41Å; C48-I52 WeakPolarHBondContact O-CG1 3.35Å; C48-I52 PolarHBondContact O-N 3.35Å; V49-I52 PolarHBondContact O-N 2.99Å; I52-R55 PolarHBondContact O-N 3.3Å; I52-Y56 WeakPolarHBondContact O-CB 3.37Å; I52-Y56 PolarHBondContact O-N 2.81Å
53L88.4Confident84.7Confident10 Ų1072.5 Ų72.55%0.05239%0.387CS..Hα-helixtrans-66.1-41.4-179.7-67.6177.1000112.5I25 V26 A29 P35 I38 V49 S50 R55 Y56 Y57I25-L53 HydrophobicContact CG2-CD1 4.4Å; I25-L53 HydrophobicContact CG2-CD2 3.75Å; I25-L53 HydrophobicContact CG2-CG 3.82Å; V26-L53 HydrophobicContact CG2-CD2 4.25Å; A29-L53 HydrophobicContact CB-CD1 4.06Å; A29-L53 HydrophobicContact CB-CD2 3.52Å; A29-L53 HydrophobicContact CB-CG 4.47Å; P35-L53 HydrophobicContact CB-CD1 4.36Å; P35-L53 HydrophobicContact CG-CD1 4.02Å; I38-L53 HydrophobicContact CD1-CD1 4.48Å; V49-L53 HydrophobicContact CG1-CD1 3.91Å; V49-L53 HydrophobicContact CG1-CG 4.45Å; V49-L53 WeakPolarHBondContact O-CG 3.37Å; V49-L53 PolarHBondContact O-N 3Å; S50-L53 PolarHBondContact O-N 3.49Å; L53-R55 PolarHBondContact O-N 3.45Å; L53-Y56 WeakPolarHBondContact O-CB 3.5Å; L53-Y56 PolarHBondContact O-N 3.26Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; L53-Y57 HydrophobicContact CB-CD2 4.43Å; L53-Y57 HydrophobicContact CB-CE2 4Å; L53-Y57 WeakPolarHBondContact O-CD2 3.36Å; L53-Y57 PolarHBondContact O-N 3.04Å
54G87.4Confident83.9Confident37 Ų3769 Ų6938%0.38138%0.382SS..Hα-helixtrans-58.2-49.2174.300000112.3S50 Y56 Y57 E58S50-G54 PolarHBondContact O-N 3.15Å; G54-Y56 PolarHBondContact O-N 3.34Å; G54-Y57 PolarHBondContact O-N 3.4Å; G54-E58 VanDerWaalsContact O-CB 3.24Å; G54-E58 WeakPolarHBondContact O-CB 3.2Å; G54-E58 PolarHBondContact O-N 3.17Å
55R83.3Confident83.1Confident79 Ų7970.2 Ų70.230%0.29840%0.397SS..Hα-helixtrans-59.8-32.2173.4-80-89.3-65122.59.7113.4K51 I52 L53 T59 K63K51-R55 WeakPolarHBondContact O-CB 3.41Å; K51-R55 VanDerWaalsContact O-CG 3.28Å; K51-R55 WeakPolarHBondContact O-CG 3.5Å; K51-R55 PolarHBondContact O-N 3.27Å; I52-R55 PolarHBondContact O-N 3.3Å; L53-R55 PolarHBondContact O-N 3.45Å; R55-T59 PolarHBondContact NH1-OG1 3.33Å; R55-T59 WeakPolarHBondContact O-CB 3.34Å; R55-T59 PolarHBondContact O-N 3.21Å; R55-T59 PolarHBondContact O-OG1 3.16Å; R55-K63 PolarHBondContact NH2-O 2.99Å
56Y85.7Confident82Confident61 Ų6173 Ų7324%0.23941%0.41CS..Hα-helixtrans-73.6-46.2177.1-175.4-96.6000111.9V26 H30 I52 L53 G54 E58 G60 I62V26-Y56 HydrophobicContact CG1-CD1 3.86Å; V26-Y56 HydrophobicContact CG1-CD2 3.97Å; V26-Y56 HydrophobicContact CG1-CE1 3.68Å; V26-Y56 HydrophobicContact CG1-CE2 3.8Å; V26-Y56 HydrophobicContact CG1-CG 4.01Å; V26-Y56 HydrophobicContact CG2-CD1 4.23Å; V26-Y56 HydrophobicContact CG2-CD2 3.83Å; V26-Y56 HydrophobicContact CG2-CE2 4.46Å; V26-Y56 HydrophobicContact CG2-CG 3.71Å; H30-Y56 AromaticContact CE1-CE1 3.54Å; H30-Y56 AromaticContact CE1-CZ 3.72Å; H30-Y56 PolarHBondContact CE1-OH 3.21Å; H30-Y56 AromaticContact NE2-CE1 3.32Å; H30-Y56 VanDerWaalsContact NE2-CE1 3.32Å; H30-Y56 WeakPolarHBondContact NE2-CE1 3.5Å; H30-Y56 AromaticContact NE2-CZ 3.96Å; I52-Y56 WeakPolarHBondContact O-CB 3.37Å; I52-Y56 PolarHBondContact O-N 2.81Å; L53-Y56 WeakPolarHBondContact O-CB 3.5Å; L53-Y56 PolarHBondContact O-N 3.26Å; L53-Y56 VanDerWaalsContact O-N 3.1Å; G54-Y56 PolarHBondContact O-N 3.34Å; Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 3.02Å; Y56-G60 VanDerWaalsContact CE2-O 3.3Å; Y56-G60 WeakPolarHBondContact CE2-O 3.44Å; Y56-G60 WeakPolarHBondContact O-CA 3.34Å; Y56-G60 PolarHBondContact O-N 3.37Å; Y56-I62 HydrophobicContact CD2-CG2 3.99Å; Y56-I62 HydrophobicContact CE2-CG2 4.29Å
57Y85Confident80.5Confident155 Ų15575.9 Ų75.961%0.60843%0.427SS*.Hα-helixtrans-68-29.1176.3-61.6-53.3000113.1L53 G54L53-Y57 HydrophobicContact CB-CD2 4.43Å; L53-Y57 HydrophobicContact CB-CE2 4Å; L53-Y57 WeakPolarHBondContact O-CD2 3.36Å; L53-Y57 PolarHBondContact O-N 3.04Å; G54-Y57 PolarHBondContact O-N 3.4Å
58E81.9Confident78.8Confident161 Ų16177.1 Ų77.175%0.75244%0.44SS*.Hα-helixtrans-85-34.3180-176.8-179.9-130.900113.8G54 Y56G54-E58 VanDerWaalsContact O-CB 3.24Å; G54-E58 WeakPolarHBondContact O-CB 3.2Å; G54-E58 PolarHBondContact O-N 3.17Å; Y56-E58 VanDerWaalsContact C-N 3.3Å; Y56-E58 PolarHBondContact O-N 3.02Å
59T79.9Confident77.5Confident78 Ų7878.3 Ų78.348%0.47946%0.459SS..Hα-helixtrans-126.9-1.6-172.8-29.60000114.3R55 S61R55-T59 PolarHBondContact NH1-OG1 3.33Å; R55-T59 WeakPolarHBondContact O-CB 3.34Å; R55-T59 PolarHBondContact O-N 3.21Å; R55-T59 PolarHBondContact O-OG1 3.16Å; T59-S61 PolarHBondContact O-N 3.44Å
60G76.8Confident75.8Confident52 Ų5283.9 Ų83.954%0.53650%0.498SS..SBendtrans62.25.3-172.200000115Y56Y56-G60 VanDerWaalsContact CE2-O 3.3Å; Y56-G60 WeakPolarHBondContact CE2-O 3.44Å; Y56-G60 WeakPolarHBondContact O-CA 3.34Å; Y56-G60 PolarHBondContact O-N 3.37Å
61S73.3Confident74.2Confident42 Ų4289.5 Ų89.529%0.29451%0.514SS..  trans-120.2111-160.6-168.80000112.9T59 K63T59-S61 PolarHBondContact O-N 3.44Å; S61-K63 PolarHBondContact O-N 3.43Å
62I75.4Confident72.5Confident39 Ų3987.6 Ų87.620%0.252%0.517CS..  trans-64-23.1173.365.8-176.4000113.5E19 R22 V26 Y56E19-I62 HydrophobicContact CG-CD1 4.28Å; R22-I62 PolarHBondContact NE-O 2.99Å; R22-I62 VanDerWaalsContact NE-O 3.13Å; R22-I62 PolarHBondContact NH2-O 2.96Å; V26-I62 HydrophobicContact CG2-CG2 4.09Å; Y56-I62 HydrophobicContact CD2-CG2 3.99Å; Y56-I62 HydrophobicContact CE2-CG2 4.29Å
63K73.6Confident71.1Confident138 Ų13896.1 Ų96.160%0.655%0.554SS**SBendtrans-63.1149.1-168.4-73.1-177.9178.7176.10111R55 S61 G65R55-K63 PolarHBondContact NH2-O 2.99Å; S61-K63 PolarHBondContact O-N 3.43Å; K63-G65 PolarHBondContact O-N 3.29Å
64P71.2Confident69.9Low64 Ų64102.6 Ų102.642%0.41659%0.593SS.*PPolyproline II helixtrans-64.9140.6178.113.61.8000107.5P16 R22P16-P64 HydrophobicContact CB-CB 4.16Å; R22-P64 VanDerWaalsContact NH1-CG 3.35Å
65G70.1Confident68.5Low38 Ų38103.3 Ų103.339%0.39260%0.596SS.*PPolyproline II helixtrans-56.6148.6162.100000109K63 I67K63-G65 PolarHBondContact O-N 3.29Å; G65-I67 PolarHBondContact O-N 3Å
66V66.8Low68.2Low139 Ų139103.8 Ų103.884%0.84261%0.607SS**  trans-72.478.4177.1-175.90000109G68V66-G68 PolarHBondContact O-N 2.8Å; V66-G68 VanDerWaalsContact O-N 3.07Å
67I58.5Low68Low166 Ų166105.8 Ų105.885%0.85163%0.628SS**  trans-77.389.8176-59.7166.4000107G65G65-I67 PolarHBondContact O-N 3Å
68G53Low67.9Low75 Ų75104.5 Ų104.577%0.77363%0.626SS**  trans140.453.5-177.700000113.7V66V66-G68 PolarHBondContact O-N 2.8Å; V66-G68 VanDerWaalsContact O-N 3.07Å
69G60.6Low68.3Low63 Ų6397.3 Ų97.365%0.64959%0.592SS**  trans-131.3118.3165.800000109.5K71G69-K71 PolarHBondContact O-N 3.15Å
70S54.5Low68.7Low117 Ų11794.8 Ų94.882%0.81858%0.577SS**  trans-65.8128.5158.444.20000107.5
71K56.7Low69.3Low186 Ų18699.1 Ų99.181%0.80958%0.583SS**  trans-54132.4162.5-69.8-175177-176.70106.7G69 K73G69-K71 PolarHBondContact O-N 3.15Å; K71-K73 WeakPolarHBondContact O-CA 3.43Å; K71-K73 PolarHBondContact O-N 3.2Å
72P52.8Low70.2Confident118 Ų118100.3 Ų100.377%0.76658%0.583SS**  trans-60.2101.5-179.823.4-32.7000108.7V74P72-V74 PolarHBondContact O-N 3.36Å
73K58.7Low71Confident201 Ų20198.4 Ų98.487%0.87457%0.574SS**  trans-81.4-20.1-154.3-154.9-179.7179.6-170.80113.7K71K71-K73 WeakPolarHBondContact O-CA 3.43Å; K71-K73 PolarHBondContact O-N 3.2Å
74V63.1Low71.8Confident146 Ų14693.1 Ų93.189%0.88556%0.555SS**SBendtrans-142.285.2179.7-174.80000108.6P72P72-V74 PolarHBondContact O-N 3.36Å
75A57.3Low72.8Confident52 Ų5292.7 Ų92.743%0.4355%0.548SS..  trans-164.797.4164.900000108.5V80A75-V80 HydrophobicContact CB-CG2 3.93Å
76T78.1Confident73.9Confident88 Ų8890.9 Ų90.954%0.5453%0.529SS..  trans-59.9122.7171.28.40000108.5K78 V79 V80T76-K78 VanDerWaalsContact C-N 3.26Å; T76-K78 PolarHBondContact O-N 3.41Å; T76-V79 WeakPolarHBondContact O-CB 3.34Å; T76-V79 PolarHBondContact O-N 3.27Å; T76-V79 VanDerWaalsContact OG1-CG2 3.32Å; T76-V79 WeakPolarHBondContact OG1-CG2 3.41Å; T76-V80 PolarHBondContact O-N 2.92Å
77P80.4Confident75.1Confident104 Ų10486.2 Ų86.268%0.67550%0.497SS*.Hα-helixtrans-60.6-35.6-170.320.1-31.3000112.7V79 V80 E81P77-V79 PolarHBondContact O-N 3.32Å; P77-V80 WeakPolarHBondContact O-CB 3.13Å; P77-V80 PolarHBondContact O-N 3.48Å; P77-V80 VanDerWaalsContact O-N 3.14Å; P77-E81 WeakPolarHBondContact O-CB 3.48Å; P77-E81 PolarHBondContact O-N 3.42Å
78K83.9Confident76.6Confident128 Ų12887 Ų8756%0.55749%0.49SS*.Hα-helixtrans-51.2-38.9171-175.2-172.6177.4-165.60113.4T76 K82T76-K78 VanDerWaalsContact C-N 3.26Å; T76-K78 PolarHBondContact O-N 3.41Å; K78-K82 WeakPolarHBondContact O-CB 3.19Å; K78-K82 WeakPolarHBondContact O-CG 3.24Å; K78-K82 PolarHBondContact O-N 3.21Å
79V88.8Confident78.5Confident9 Ų987.6 Ų87.66%0.05547%0.472CS..Hα-helixtrans-74.9-41.9-180-177.90000110.5T76 P77 E81 K82 I83 L102 V107 C108 P114T76-V79 WeakPolarHBondContact O-CB 3.34Å; T76-V79 PolarHBondContact O-N 3.27Å; T76-V79 VanDerWaalsContact OG1-CG2 3.32Å; T76-V79 WeakPolarHBondContact OG1-CG2 3.41Å; P77-V79 PolarHBondContact O-N 3.32Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.89Å; V79-K82 PolarHBondContact O-N 3.3Å; V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 WeakPolarHBondContact O-CD1 3.41Å; V79-I83 VanDerWaalsContact O-CG1 3.25Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 3.1Å; V79-L102 HydrophobicContact CG1-CD1 4.03Å; V79-L102 HydrophobicContact CG1-CD2 4.23Å; V79-V107 HydrophobicContact CG2-CG1 4.25Å; V79-C108 VanDerWaalsContact CG1-SG 3.55Å; V79-C108 WeakPolarHBondContact CG2-SG 3.48Å; V79-P114 HydrophobicContact CG1-CG 3.92Å
80V89.6Confident79.8Confident26 Ų2687.9 Ų87.916%0.15846%0.459CS..Hα-helixtrans-60.9-41.3175.8177.60000111.1A75 T76 P77 A84 I122 K126A75-V80 HydrophobicContact CB-CG2 3.93Å; T76-V80 PolarHBondContact O-N 2.92Å; P77-V80 WeakPolarHBondContact O-CB 3.13Å; P77-V80 PolarHBondContact O-N 3.48Å; P77-V80 VanDerWaalsContact O-N 3.14Å; V80-A84 PolarHBondContact O-N 3.42Å; V80-A84 VanDerWaalsContact O-N 3.09Å; V80-I122 HydrophobicContact CG1-CG2 3.95Å; V80-I122 HydrophobicContact CG2-CD1 4.24Å; V80-K126 HydrophobicContact CG1-CG 3.99Å
81E89.8Confident81.5Confident142 Ų14286.9 Ų86.966%0.66445%0.45SS*.Hα-helixtrans-66.1-47.4176.2-175.8168.4-134.300112.1P77 V79 I83 A84 E85P77-E81 WeakPolarHBondContact O-CB 3.48Å; P77-E81 PolarHBondContact O-N 3.42Å; V79-E81 VanDerWaalsContact C-N 3.3Å; V79-E81 PolarHBondContact O-N 2.89Å; E81-I83 PolarHBondContact O-N 3.35Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 2.9Å; E81-A84 VanDerWaalsContact O-N 3.16Å; E81-E85 WeakPolarHBondContact O-CB 3.08Å; E81-E85 PolarHBondContact O-N 2.76Å
82K91.3Very high83.2Confident67 Ų6783.5 Ų83.529%0.29145%0.445SS..Hα-helixtrans-62-38.5175-82.4-77.2-159.6166.20113.4K78 V79 A84 E85 Y86 L102 E105 V107K78-K82 WeakPolarHBondContact O-CB 3.19Å; K78-K82 WeakPolarHBondContact O-CG 3.24Å; K78-K82 PolarHBondContact O-N 3.21Å; V79-K82 PolarHBondContact O-N 3.3Å; K82-A84 VanDerWaalsContact C-N 3.35Å; K82-E85 PolarHBondContact O-N 3.34Å; K82-Y86 HydrophobicContact CD-CE1 3.89Å; K82-Y86 VanDerWaalsContact O-CG 3.29Å; K82-Y86 PolarHBondContact O-N 3.13Å; K82-L102 HydrophobicContact CB-CD2 3.87Å; K82-E105 IonicContact NZ-OE2 2.77Å; K82-E105 PolarHBondContact NZ-OE2 3.16Å; K82-V107 HydrophobicContact CB-CG1 4.04Å; K82-V107 HydrophobicContact CD-CG2 4.19Å; K82-V107 HydrophobicContact CG-CG1 3.9Å; K82-V107 HydrophobicContact CG-CG2 4.06Å
83I91.8Very high85.1Confident0 Ų079.2 Ų79.20%042%0.415CS..Hα-helixtrans-60.4-45.3172.2-71.4163.2000110.9V79 E81 E85 K87 I98 L102 P114 I119 I122 I123V79-I83 HydrophobicContact CG1-CD1 3.97Å; V79-I83 WeakPolarHBondContact O-CD1 3.41Å; V79-I83 VanDerWaalsContact O-CG1 3.25Å; V79-I83 WeakPolarHBondContact O-CG1 3.41Å; V79-I83 PolarHBondContact O-N 3.1Å; E81-I83 PolarHBondContact O-N 3.35Å; I83-E85 VanDerWaalsContact C-N 3.32Å; I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 3.07Å; I83-I98 HydrophobicContact CB-CG2 4.35Å; I83-I98 HydrophobicContact CG1-CG2 3.87Å; I83-I98 HydrophobicContact CG2-CG2 4.24Å; I83-L102 HydrophobicContact CD1-CD1 4.14Å; I83-L102 HydrophobicContact CG1-CD1 3.82Å; I83-P114 HydrophobicContact CD1-CG 4.04Å; I83-I119 HydrophobicContact CD1-CG1 3.99Å; I83-I119 HydrophobicContact CG2-CG2 4.09Å; I83-I122 HydrophobicContact CB-CG2 4.16Å; I83-I122 HydrophobicContact CD1-CD1 3.68Å; I83-I122 HydrophobicContact CD1-CG2 4.34Å; I83-I122 HydrophobicContact CG2-CB 4.3Å; I83-I122 HydrophobicContact CG2-CG2 3.67Å; I83-I123 HydrophobicContact CG2-CG1 3.97Å
84A91.6Very high86.8Confident26 Ų2675.8 Ų75.822%0.21540%0.4CS..Hα-helixtrans-64.6-39.117800000111.6V80 E81 K82 R88 V127V80-A84 PolarHBondContact O-N 3.42Å; V80-A84 VanDerWaalsContact O-N 3.09Å; E81-A84 WeakPolarHBondContact O-CB 3.3Å; E81-A84 PolarHBondContact O-N 2.9Å; E81-A84 VanDerWaalsContact O-N 3.16Å; K82-A84 VanDerWaalsContact C-N 3.35Å; A84-R88 VanDerWaalsContact O-CB 3.26Å; A84-R88 WeakPolarHBondContact O-CB 3.32Å; A84-R88 PolarHBondContact O-N 3.42Å; A84-V127 HydrophobicContact CB-CG2 3.81Å
85E92.3Very high88.3Confident55 Ų5569.2 Ų69.226%0.25736%0.361SS..Hα-helixtrans-66.8-49.1179.1179.754.6-163.100112.8E81 K82 I83 K87 R88 Q89E81-E85 WeakPolarHBondContact O-CB 3.08Å; E81-E85 PolarHBondContact O-N 2.76Å; K82-E85 PolarHBondContact O-N 3.34Å; I83-E85 VanDerWaalsContact C-N 3.32Å; E85-K87 VanDerWaalsContact C-N 3.27Å; E85-K87 PolarHBondContact O-N 3.26Å; E85-R88 WeakPolarHBondContact O-CB 3.36Å; E85-R88 PolarHBondContact O-N 3.27Å; E85-R88 VanDerWaalsContact O-N 3.1Å; E85-R88 IonicContact OE2-CZ 3.22Å; E85-R88 IonicContact OE2-NE 2.85Å; E85-R88 PolarHBondContact OE2-NE 2.94Å; E85-R88 IonicContact OE2-NH2 2.62Å; E85-R88 PolarHBondContact OE2-NH2 3.19Å; E85-Q89 WeakPolarHBondContact O-CG 3.46Å; E85-Q89 PolarHBondContact O-N 3.04Å; E85-Q89 WeakPolarHBondContact OE1-CG 3.42Å; E85-Q89 PolarHBondContact OE1-NE2 2.96Å
86Y92.8Very high90Very high1 Ų173.1 Ų73.10%0.00437%0.365CS..Hα-helixtrans-60.9-38.2178.1-57.7-24.1000112.1K82 Q89 N90 I98 R101 L102 E105K82-Y86 HydrophobicContact CD-CE1 3.89Å; K82-Y86 VanDerWaalsContact O-CG 3.29Å; K82-Y86 PolarHBondContact O-N 3.13Å; Y86-Q89 PolarHBondContact O-N 2.92Å; Y86-N90 PolarHBondContact O-N 3.47Å; Y86-I98 HydrophobicContact CD2-CG2 4.26Å; Y86-R101 VanDerWaalsContact CD1-CZ 3.47Å; Y86-R101 HydrophobicContact CD2-CB 4.21Å; Y86-R101 HydrophobicContact CD2-CG 4.12Å; Y86-R101 HydrophobicContact CE1-CG 4.27Å; Y86-R101 HydrophobicContact CE2-CB 3.96Å; Y86-R101 HydrophobicContact CE2-CG 3.74Å; Y86-L102 HydrophobicContact CE2-CD2 3.88Å; Y86-L102 HydrophobicContact CE2-CG 4Å; Y86-E105 WeakPolarHBondContact CE1-OE1 3.5Å; Y86-E105 PolarHBondContact OH-OE2 2.82Å
87K91.6Very high90.8Very high40 Ų4071.9 Ų71.917%0.17435%0.353CS..Hα-helixtrans-75.2-23.2177.7-165.856.3165.2177.30113.1I83 E85 N90 P91 M93 I98 I123 V127I83-K87 WeakPolarHBondContact O-CB 3.48Å; I83-K87 PolarHBondContact O-N 3.07Å; E85-K87 VanDerWaalsContact C-N 3.27Å; E85-K87 PolarHBondContact O-N 3.26Å; K87-N90 CarbonylContact O-C 3.46Å; K87-P91 WeakPolarHBondContact CE-O 3.38Å; K87-P91 PolarHBondContact NZ-O 3.43Å; K87-P91 WeakPolarHBondContact O-CA 3.28Å; K87-M93 PolarHBondContact NZ-O 3Å; K87-I98 HydrophobicContact CB-CD1 4.06Å; K87-I98 HydrophobicContact CD-CD1 4.17Å; K87-I123 HydrophobicContact CD-CD1 4.38Å; K87-I123 HydrophobicContact CG-CD1 4.27Å; K87-I123 HydrophobicContact CG-CG1 4.21Å; K87-I123 HydrophobicContact CG-CG2 4.05Å; K87-V127 HydrophobicContact CB-CG1 4.43Å; K87-V127 HydrophobicContact CB-CG2 4.36Å; K87-V127 HydrophobicContact CG-CG1 4.17Å
88R90.4Very high91.5Very high183 Ų18367 Ų6769%0.69132%0.321SS*.Hα-helixtrans-75.5-41.9169.8179.6168.871.8148.4-3.2111.8A84 E85A84-R88 VanDerWaalsContact O-CB 3.26Å; A84-R88 WeakPolarHBondContact O-CB 3.32Å; A84-R88 PolarHBondContact O-N 3.42Å; E85-R88 WeakPolarHBondContact O-CB 3.36Å; E85-R88 PolarHBondContact O-N 3.27Å; E85-R88 VanDerWaalsContact O-N 3.1Å; E85-R88 IonicContact OE2-CZ 3.22Å; E85-R88 IonicContact OE2-NE 2.85Å; E85-R88 PolarHBondContact OE2-NE 2.94Å; E85-R88 IonicContact OE2-NH2 2.62Å; E85-R88 PolarHBondContact OE2-NH2 3.19Å
89Q92.6Very high91.9Very high87 Ų8765.1 Ų65.141%0.40731%0.311SS..Hα-helixtrans-63-45174-70.51745.200111.5E85 Y86E85-Q89 WeakPolarHBondContact O-CG 3.46Å; E85-Q89 PolarHBondContact O-N 3.04Å; E85-Q89 WeakPolarHBondContact OE1-CG 3.42Å; E85-Q89 PolarHBondContact OE1-NE2 2.96Å; Y86-Q89 PolarHBondContact O-N 2.92Å
90N88.5Confident92.1Very high69 Ų6967.4 Ų67.437%0.36932%0.322SS..  trans-133.490.8-177.1-69.1-78.9000110.6Y86 K87 T92 M93Y86-N90 PolarHBondContact O-N 3.47Å; K87-N90 CarbonylContact O-C 3.46Å; N90-T92 PolarHBondContact O-N 3.22Å; N90-T92 VanDerWaalsContact O-N 3.12Å; N90-M93 HydrophobicContact CB-CB 3.85Å; N90-M93 HydrophobicContact CB-CE 4.19Å; N90-M93 VanDerWaalsContact O-CB 3.26Å; N90-M93 WeakPolarHBondContact O-CB 3.23Å; N90-M93 PolarHBondContact O-N 3.23Å
91P90.1Very high92.3Very high97 Ų9769.5 Ų69.563%0.6333%0.327SS*.THydrogen-bonded Turntrans-59.7-22178.1-27.336.8000114.3K87K87-P91 WeakPolarHBondContact CE-O 3.38Å; K87-P91 PolarHBondContact NZ-O 3.43Å; K87-P91 WeakPolarHBondContact O-CA 3.28Å
92T92.3Very high92.4Very high114 Ų11462.7 Ų62.770%0.69930%0.296SS*.THydrogen-bonded Turntrans-72.2-29.2172.545.30000113.4N90 F94N90-T92 PolarHBondContact O-N 3.22Å; N90-T92 VanDerWaalsContact O-N 3.12Å; T92-F94 PolarHBondContact O-N 2.91Å
93M92.5Very high92.4Very high29 Ų2962.7 Ų62.714%0.14330%0.299CS..  trans-59.5127.3-168.4-171.4179.4-81.900112.8K87 N90 E97 I98K87-M93 PolarHBondContact NZ-O 3Å; N90-M93 HydrophobicContact CB-CB 3.85Å; N90-M93 HydrophobicContact CB-CE 4.19Å; N90-M93 VanDerWaalsContact O-CB 3.26Å; N90-M93 WeakPolarHBondContact O-CB 3.23Å; N90-M93 PolarHBondContact O-N 3.23Å; M93-E97 VanDerWaalsContact CA-OE2 3.26Å; M93-E97 WeakPolarHBondContact CA-OE2 3.42Å; M93-E97 HydrophobicContact CG-CB 3.63Å; M93-E97 WeakPolarHBondContact CG-OE2 3.36Å; M93-E97 HydrophobicContact SD-CB 4.39Å; M93-I98 HydrophobicContact CG-CG1 3.91Å; M93-I98 HydrophobicContact SD-CG1 3.73Å
94F94.3Very high92.5Very high129 Ų12967 Ų6757%0.56633%0.334SS*.  trans-75.6158.1-177.6-66.2-76.6000112.3T92 W96 E97 I98T92-F94 PolarHBondContact O-N 2.91Å; F94-W96 HydrophobicContact CB-CG 4.34Å; F94-W96 AromaticContact CG-NE1 3.82Å; F94-W96 PolarHBondContact O-N 3.37Å; F94-E97 HydrophobicContact CB-CG 4.27Å; F94-E97 PolarHBondContact N-OE2 3.16Å; F94-E97 PolarHBondContact O-N 3.41Å; F94-I98 WeakPolarHBondContact O-CG1 3.36Å; F94-I98 PolarHBondContact O-N 3.27Å
95A93.6Very high92.4Very high8 Ų869.6 Ų69.67%0.06634%0.342CS..Hα-helixtrans-67.6-15.8-179.200000114.2R99 V116 I119 N120A95-R99 PolarHBondContact O-N 3.45Å; A95-V116 HydrophobicContact CB-CG1 3.72Å; A95-I119 HydrophobicContact CB-CB 4.2Å; A95-I119 HydrophobicContact CB-CG2 3.72Å; A95-I119 WeakPolarHBondContact O-CD1 3.18Å; A95-N120 WeakPolarHBondContact CB-ND2 3.31Å
96W94.5Very high92.1Very high133 Ų13369.7 Ų69.750%0.50436%0.357SS..Hα-helixtrans-82.6-42.3171.166.8-95.2000111.3F94 I98 R99 D100 V116F94-W96 HydrophobicContact CB-CG 4.34Å; F94-W96 AromaticContact CG-NE1 3.82Å; F94-W96 PolarHBondContact O-N 3.37Å; W96-I98 VanDerWaalsContact C-N 3.26Å; W96-I98 PolarHBondContact O-N 3.4Å; W96-R99 WeakPolarHBondContact O-CA 3.23Å; W96-R99 VanDerWaalsContact O-CB 3.28Å; W96-R99 WeakPolarHBondContact O-CB 3.49Å; W96-R99 PolarHBondContact O-N 2.94Å; W96-D100 VanDerWaalsContact O-CG 3.29Å; W96-D100 PolarHBondContact O-N 3.49Å; W96-V116 HydrophobicContact CB-CG2 4.33Å
97E95.1Very high91.8Very high63 Ų6370.4 Ų70.429%0.29436%0.362SS..Hα-helixtrans-58.9-39.4172.2-61.2171.6149.100111.2M93 F94 D100 R101M93-E97 VanDerWaalsContact CA-OE2 3.26Å; M93-E97 WeakPolarHBondContact CA-OE2 3.42Å; M93-E97 HydrophobicContact CG-CB 3.63Å; M93-E97 WeakPolarHBondContact CG-OE2 3.36Å; M93-E97 HydrophobicContact SD-CB 4.39Å; F94-E97 HydrophobicContact CB-CG 4.27Å; F94-E97 PolarHBondContact N-OE2 3.16Å; F94-E97 PolarHBondContact O-N 3.41Å; E97-D100 PolarHBondContact O-N 3.26Å; E97-R101 VanDerWaalsContact O-CB 3.27Å; E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.96Å
98I93.5Very high91.5Very high0 Ų068.7 Ų68.70%036%0.355CS..Hα-helixtrans-62.9-41.2173-72.4169.2000111.7I83 Y86 K87 M93 F94 W96 D100 L102 I119 I123I83-I98 HydrophobicContact CB-CG2 4.35Å; I83-I98 HydrophobicContact CG1-CG2 3.87Å; I83-I98 HydrophobicContact CG2-CG2 4.24Å; Y86-I98 HydrophobicContact CD2-CG2 4.26Å; K87-I98 HydrophobicContact CB-CD1 4.06Å; K87-I98 HydrophobicContact CD-CD1 4.17Å; M93-I98 HydrophobicContact CG-CG1 3.91Å; M93-I98 HydrophobicContact SD-CG1 3.73Å; F94-I98 WeakPolarHBondContact O-CG1 3.36Å; F94-I98 PolarHBondContact O-N 3.27Å; W96-I98 VanDerWaalsContact C-N 3.26Å; W96-I98 PolarHBondContact O-N 3.4Å; I98-D100 VanDerWaalsContact C-N 3.35Å; I98-L102 HydrophobicContact CG2-CD1 4.44Å; I98-L102 VanDerWaalsContact O-CG 3.26Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.04Å; I98-I119 HydrophobicContact CB-CG2 4.16Å; I98-I119 HydrophobicContact CG2-CD1 4.37Å; I98-I119 HydrophobicContact CG2-CG2 3.67Å; I98-I123 HydrophobicContact CD1-CD1 3.83Å
99R93.1Very high91.3Very high90 Ų9065.2 Ų65.234%0.3435%0.35SS..Hα-helixtrans-60.9-46.4175.3-174.8-161.163-171-9.1110.5A95 W96 L102 L103 V113 I119A95-R99 PolarHBondContact O-N 3.45Å; W96-R99 WeakPolarHBondContact O-CA 3.23Å; W96-R99 VanDerWaalsContact O-CB 3.28Å; W96-R99 WeakPolarHBondContact O-CB 3.49Å; W96-R99 PolarHBondContact O-N 2.94Å; R99-L102 WeakPolarHBondContact O-CB 3.49Å; R99-L102 PolarHBondContact O-N 3.48Å; R99-L103 PolarHBondContact O-N 3.22Å; R99-V113 HydrophobicContact CG-CG2 3.59Å; R99-I119 HydrophobicContact CB-CD1 3.63Å; R99-I119 HydrophobicContact CG-CD1 4.24Å
100D93.8Very high91Very high56 Ų5666.3 Ų66.330%0.29937%0.368SS..Hα-helixtrans-74.6-32-173.2-60.4-13.1000110.8W96 E97 I98 L103 A104W96-D100 VanDerWaalsContact O-CG 3.29Å; W96-D100 PolarHBondContact O-N 3.49Å; E97-D100 PolarHBondContact O-N 3.26Å; I98-D100 VanDerWaalsContact C-N 3.35Å; D100-L103 PolarHBondContact O-N 3.47Å; D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3Å
101R93.1Very high90.6Very high70 Ų7069.4 Ų69.426%0.26438%0.384SS..Hα-helixtrans-70.1-31.5169.4-168.5175.2176-170.5-4.2113.6Y86 E97 L103 A104 E105Y86-R101 VanDerWaalsContact CD1-CZ 3.47Å; Y86-R101 HydrophobicContact CD2-CB 4.21Å; Y86-R101 HydrophobicContact CD2-CG 4.12Å; Y86-R101 HydrophobicContact CE1-CG 4.27Å; Y86-R101 HydrophobicContact CE2-CB 3.96Å; Y86-R101 HydrophobicContact CE2-CG 3.74Å; E97-R101 VanDerWaalsContact O-CB 3.27Å; E97-R101 WeakPolarHBondContact O-CB 3.48Å; E97-R101 PolarHBondContact O-N 2.96Å; R101-L103 VanDerWaalsContact C-N 3.32Å; R101-A104 PolarHBondContact O-N 3.24Å; R101-E105 HydrophobicContact CG-CG 4.38Å; R101-E105 IonicContact CZ-OE1 3.17Å; R101-E105 VanDerWaalsContact CZ-OE1 3.22Å; R101-E105 IonicContact NE-OE1 2.72Å; R101-E105 PolarHBondContact NE-OE1 3.08Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 PolarHBondContact NH2-OE1 2.98Å; R101-E105 WeakPolarHBondContact O-CB 3.38Å; R101-E105 PolarHBondContact O-N 3.44Å
102L91.9Very high90.4Very high0 Ų068.3 Ų68.30%038%0.375CS..Hα-helixtrans-64.6-37.2171.9-75.8168.8000112V79 K82 I83 Y86 I98 R99 V107 C108 V113 P114V79-L102 HydrophobicContact CG1-CD1 4.03Å; V79-L102 HydrophobicContact CG1-CD2 4.23Å; K82-L102 HydrophobicContact CB-CD2 3.87Å; I83-L102 HydrophobicContact CD1-CD1 4.14Å; I83-L102 HydrophobicContact CG1-CD1 3.82Å; Y86-L102 HydrophobicContact CE2-CD2 3.88Å; Y86-L102 HydrophobicContact CE2-CG 4Å; I98-L102 HydrophobicContact CG2-CD1 4.44Å; I98-L102 VanDerWaalsContact O-CG 3.26Å; I98-L102 WeakPolarHBondContact O-CG 3.49Å; I98-L102 PolarHBondContact O-N 3.04Å; R99-L102 WeakPolarHBondContact O-CB 3.49Å; R99-L102 PolarHBondContact O-N 3.48Å; L102-V107 HydrophobicContact CD2-CB 3.8Å; L102-V107 HydrophobicContact CD2-CG1 3.55Å; L102-V107 HydrophobicContact CD2-CG2 4.46Å; L102-V107 PolarHBondContact O-N 3.27Å; L102-C108 PolarHBondContact O-N 3.08Å; L102-V113 HydrophobicContact CB-CG2 4.47Å; L102-P114 HydrophobicContact CD1-CG 4.17Å
103L91.8Very high90.1Very high67 Ų6764.3 Ų64.335%0.35135%0.351SS..Hα-helixtrans-70-48173.6-65.2168.2000110.8R99 D100 R101 E105 G106 V113R99-L103 PolarHBondContact O-N 3.22Å; D100-L103 PolarHBondContact O-N 3.47Å; R101-L103 VanDerWaalsContact C-N 3.32Å; L103-E105 PolarHBondContact O-N 2.95Å; L103-G106 PolarHBondContact O-N 3.12Å; L103-V113 HydrophobicContact CD2-CB 3.97Å; L103-V113 HydrophobicContact CD2-CG1 4.15Å; L103-V113 HydrophobicContact CD2-CG2 4.21Å; L103-V113 HydrophobicContact CG-CB 4.47Å; L103-V113 HydrophobicContact CG-CG2 4.18Å
104A92.6Very high89.9Confident90 Ų9064.2 Ų64.274%0.74435%0.352SS*.Hα-helixtrans-64.3-33.9-178.400000114.1D100 R101 G106D100-A104 WeakPolarHBondContact O-CB 3.48Å; D100-A104 PolarHBondContact O-N 3Å; R101-A104 PolarHBondContact O-N 3.24Å; A104-G106 VanDerWaalsContact C-N 3.3Å
105E89.5Confident89.7Confident80 Ų8061 Ų6137%0.37435%0.346SS..THydrogen-bonded Turntrans-86.27.5174.1-69.1-170.4-154.600113.5K82 Y86 R101 L103 V107K82-E105 IonicContact NZ-OE2 2.77Å; K82-E105 PolarHBondContact NZ-OE2 3.16Å; Y86-E105 WeakPolarHBondContact CE1-OE1 3.5Å; Y86-E105 PolarHBondContact OH-OE2 2.82Å; R101-E105 HydrophobicContact CG-CG 4.38Å; R101-E105 IonicContact CZ-OE1 3.17Å; R101-E105 VanDerWaalsContact CZ-OE1 3.22Å; R101-E105 IonicContact NE-OE1 2.72Å; R101-E105 PolarHBondContact NE-OE1 3.08Å; R101-E105 IonicContact NH2-OE1 3.02Å; R101-E105 PolarHBondContact NH2-OE1 2.98Å; R101-E105 WeakPolarHBondContact O-CB 3.38Å; R101-E105 PolarHBondContact O-N 3.44Å; L103-E105 PolarHBondContact O-N 2.95Å; E105-V107 HydrophobicContact CB-CG2 3.91Å; E105-V107 PolarHBondContact O-N 3.16Å
106G86.4Confident89.6Confident57 Ų5763 Ų6359%0.58836%0.357SS*.THydrogen-bonded Turntrans59.730.518000000113.7L103 A104L103-G106 PolarHBondContact O-N 3.12Å; A104-G106 VanDerWaalsContact C-N 3.3Å
107V85.8Confident89.5Confident17 Ų1761.1 Ų61.110%0.10336%0.364CS..SBendtrans-85.8-31.4-179.7179.40000111V79 K82 L102 E105V79-V107 HydrophobicContact CG2-CG1 4.25Å; K82-V107 HydrophobicContact CB-CG1 4.04Å; K82-V107 HydrophobicContact CD-CG2 4.19Å; K82-V107 HydrophobicContact CG-CG1 3.9Å; K82-V107 HydrophobicContact CG-CG2 4.06Å; L102-V107 HydrophobicContact CD2-CB 3.8Å; L102-V107 HydrophobicContact CD2-CG1 3.55Å; L102-V107 HydrophobicContact CD2-CG2 4.46Å; L102-V107 PolarHBondContact O-N 3.27Å; E105-V107 HydrophobicContact CB-CG2 3.91Å; E105-V107 PolarHBondContact O-N 3.16Å
108C85.4Confident89.2Confident4 Ų460.7 Ų60.73%0.02737%0.369CS..SBendtrans-132.4150169.1-60.60000109.8V79 L102 V113V79-C108 VanDerWaalsContact CG1-SG 3.55Å; V79-C108 WeakPolarHBondContact CG2-SG 3.48Å; L102-C108 PolarHBondContact O-N 3.08Å; C108-V113 HydrophobicContact CB-CB 3.76Å; C108-V113 HydrophobicContact CB-CG2 4.07Å
109D86.5Confident89.1Confident110 Ų11060.7 Ų60.759%0.58837%0.369SS*.  trans-84.7172.2163.8-57.3-72.3000110.5D111 T112 V113D109-D111 WeakPolarHBondContact CB-OD1 3.47Å; D109-D111 PolarHBondContact O-N 2.77Å; D109-T112 PolarHBondContact N-OG1 2.83Å; D109-T112 PolarHBondContact O-N 3.27Å; D109-T112 PolarHBondContact O-OG1 3.26Å; D109-V113 WeakPolarHBondContact O-CB 3.31Å; D109-V113 PolarHBondContact O-N 2.83Å
110S85.9Confident89.1Confident110 Ų11059.2 Ų59.277%0.76937%0.367SS*.THydrogen-bonded Turntrans-66-19.7-174.554.20000114.9
111D81.8Confident88.8Confident133 Ų13365.8 Ų65.871%0.71139%0.388SS*.THydrogen-bonded Turntrans-95.7-30.5175.769-35.6000113D109D109-D111 WeakPolarHBondContact CB-OD1 3.47Å; D109-D111 PolarHBondContact O-N 2.77Å
112T84.4Confident88.7Confident74 Ų7463.9 Ų63.945%0.45438%0.383SS..THydrogen-bonded Turntrans-90.4-10.1-179.855.60000113.9D109D109-T112 PolarHBondContact N-OG1 2.83Å; D109-T112 PolarHBondContact O-N 3.27Å; D109-T112 PolarHBondContact O-OG1 3.26Å
113V86.7Confident88.6Confident31 Ų3164.3 Ų64.319%0.18839%0.385CS..SBendtrans-67128179.571.60000112.3R99 L102 L103 C108 D109R99-V113 HydrophobicContact CG-CG2 3.59Å; L102-V113 HydrophobicContact CB-CG2 4.47Å; L103-V113 HydrophobicContact CD2-CB 3.97Å; L103-V113 HydrophobicContact CD2-CG1 4.15Å; L103-V113 HydrophobicContact CD2-CG2 4.21Å; L103-V113 HydrophobicContact CG-CB 4.47Å; L103-V113 HydrophobicContact CG-CG2 4.18Å; C108-V113 HydrophobicContact CB-CB 3.76Å; C108-V113 HydrophobicContact CB-CG2 4.07Å; D109-V113 WeakPolarHBondContact O-CB 3.31Å; D109-V113 PolarHBondContact O-N 2.83Å
114P87.9Confident88.3Confident26 Ų2669.2 Ų69.217%0.16940%0.399CS..PPolyproline II helixtrans-69.8144179.426.7-33.4000111.9V79 I83 L102 I119V79-P114 HydrophobicContact CG1-CG 3.92Å; I83-P114 HydrophobicContact CD1-CG 4.04Å; L102-P114 HydrophobicContact CD1-CG 4.17Å; P114-I119 HydrophobicContact CB-CG1 4.2Å; P114-I119 HydrophobicContact CG-CD1 4.24Å; P114-I119 HydrophobicContact CG-CG1 3.86Å; P114-I119 WeakPolarHBondContact O-CD1 3.37Å
115S90.6Very high87.7Confident63 Ų6369.2 Ų69.244%0.44139%0.39SS..PPolyproline II helixtrans-61.7154.9176.1740000112.5S117 S118 I119S115-S117 PolarHBondContact O-N 3.49Å; S115-S117 VanDerWaalsContact O-N 3.12Å; S115-S118 CarbonylContact O-C 3.6Å; S115-S118 WeakPolarHBondContact O-CA 3.39Å; S115-S118 WeakPolarHBondContact O-CB 3.49Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 PolarHBondContact OG-N 3.15Å; S115-S118 PolarHBondContact OG-OG 3.29Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 2.74Å
116V92.2Very high87Confident49 Ų4972 Ų7230%0.29740%0.4SS..Hα-helixtrans-55.2-33.3179.1-1770000112A95 W96 N120A95-V116 HydrophobicContact CB-CG1 3.72Å; W96-V116 HydrophobicContact CB-CG2 4.33Å; V116-N120 PolarHBondContact O-N 2.9Å; V116-N120 PolarHBondContact O-ND2 2.93Å
117S91.7Very high86.2Confident93 Ų9371.7 Ų71.765%0.6539%0.387SS*.Hα-helixtrans-69.6-40.1173.7-54.60000112.8S115 N120 R121S115-S117 PolarHBondContact O-N 3.49Å; S115-S117 VanDerWaalsContact O-N 3.12Å; S117-N120 PolarHBondContact O-N 3.35Å; S117-R121 PolarHBondContact O-N 2.93Å
118S88.4Confident85Confident55 Ų5577.4 Ų77.439%0.38541%0.413SS..Hα-helixtrans-65.8-40.8173.7-67.70000111.8S115 R121 I122S115-S118 CarbonylContact O-C 3.6Å; S115-S118 WeakPolarHBondContact O-CA 3.39Å; S115-S118 WeakPolarHBondContact O-CB 3.49Å; S115-S118 PolarHBondContact O-N 2.86Å; S115-S118 PolarHBondContact OG-N 3.15Å; S115-S118 PolarHBondContact OG-OG 3.29Å; S118-R121 WeakPolarHBondContact O-CB 3.44Å; S118-R121 PolarHBondContact O-N 2.77Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 3.41Å
119I91.6Very high83.5Confident0 Ų081.9 Ų81.90%043%0.433CS..Hα-helixtrans-60.8-47.9174.4-66.3167.9000110.4I83 A95 I98 R99 P114 S115 R121 I122 I123I83-I119 HydrophobicContact CD1-CG1 3.99Å; I83-I119 HydrophobicContact CG2-CG2 4.09Å; A95-I119 HydrophobicContact CB-CB 4.2Å; A95-I119 HydrophobicContact CB-CG2 3.72Å; A95-I119 WeakPolarHBondContact O-CD1 3.18Å; I98-I119 HydrophobicContact CB-CG2 4.16Å; I98-I119 HydrophobicContact CG2-CD1 4.37Å; I98-I119 HydrophobicContact CG2-CG2 3.67Å; R99-I119 HydrophobicContact CB-CD1 3.63Å; R99-I119 HydrophobicContact CG-CD1 4.24Å; P114-I119 HydrophobicContact CB-CG1 4.2Å; P114-I119 HydrophobicContact CG-CD1 4.24Å; P114-I119 HydrophobicContact CG-CG1 3.86Å; P114-I119 WeakPolarHBondContact O-CD1 3.37Å; S115-I119 WeakPolarHBondContact O-CG1 3.44Å; S115-I119 PolarHBondContact O-N 2.74Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.26Å; I119-I122 WeakPolarHBondContact O-CB 3.44Å; I119-I122 PolarHBondContact O-N 3.02Å; I119-I122 VanDerWaalsContact O-N 3.14Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.49Å; I119-I123 WeakPolarHBondContact O-CG1 3.29Å; I119-I123 PolarHBondContact O-N 3.31Å
120N93.1Very high81.8Confident59 Ų5981.4 Ų81.432%0.31644%0.436SS..Hα-helixtrans-58.8-39.4174.9-86.7-67.8000113.1A95 V116 S117 I123 R124A95-N120 WeakPolarHBondContact CB-ND2 3.31Å; V116-N120 PolarHBondContact O-N 2.9Å; V116-N120 PolarHBondContact O-ND2 2.93Å; S117-N120 PolarHBondContact O-N 3.35Å; N120-I123 PolarHBondContact O-N 3.46Å; N120-R124 WeakPolarHBondContact O-CG 3.42Å; N120-R124 PolarHBondContact O-N 2.94Å; N120-R124 VanDerWaalsContact O-N 3.11Å
121R88.4Confident79.8Confident193 Ų19383.4 Ų83.473%0.72843%0.431SS*.Hα-helixtrans-64-43.7174.5-173.5177.9-178.2170.22.3111.5S117 S118 I119 R124 T125S117-R121 PolarHBondContact O-N 2.93Å; S118-R121 WeakPolarHBondContact O-CB 3.44Å; S118-R121 PolarHBondContact O-N 2.77Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 3.26Å; R121-R124 PolarHBondContact O-N 2.84Å; R121-T125 WeakPolarHBondContact O-CB 3.33Å; R121-T125 PolarHBondContact O-N 3.09Å; R121-T125 PolarHBondContact O-OG1 3.02Å
122I89.5Confident77.8Confident30 Ų3084.5 Ų84.515%0.15444%0.437CS..Hα-helixtrans-60.4-48.3176-70.9162.8000110.5V80 I83 S118 I119 R124 T125 K126V80-I122 HydrophobicContact CG1-CG2 3.95Å; V80-I122 HydrophobicContact CG2-CD1 4.24Å; I83-I122 HydrophobicContact CB-CG2 4.16Å; I83-I122 HydrophobicContact CD1-CD1 3.68Å; I83-I122 HydrophobicContact CD1-CG2 4.34Å; I83-I122 HydrophobicContact CG2-CB 4.3Å; I83-I122 HydrophobicContact CG2-CG2 3.67Å; S118-I122 WeakPolarHBondContact O-CG1 3.44Å; S118-I122 PolarHBondContact O-N 3.41Å; I119-I122 WeakPolarHBondContact O-CB 3.44Å; I119-I122 PolarHBondContact O-N 3.02Å; I119-I122 VanDerWaalsContact O-N 3.14Å; I122-R124 PolarHBondContact O-N 3.44Å; I122-T125 PolarHBondContact O-N 3.1Å; I122-T125 VanDerWaalsContact O-N 3.15Å; I122-K126 HydrophobicContact CG2-CB 4.43Å; I122-K126 WeakPolarHBondContact O-CB 3.44Å; I122-K126 PolarHBondContact O-N 3.05Å
123I89.5Confident75.6Confident10 Ų1088.5 Ų88.55%0.05146%0.455CS..Iπ-helixtrans-54.7-50.3177.6-68.3166000110.9I83 K87 I98 I119 N120 T125 V127 Q128I83-I123 HydrophobicContact CG2-CG1 3.97Å; K87-I123 HydrophobicContact CD-CD1 4.38Å; K87-I123 HydrophobicContact CG-CD1 4.27Å; K87-I123 HydrophobicContact CG-CG1 4.21Å; K87-I123 HydrophobicContact CG-CG2 4.05Å; I98-I123 HydrophobicContact CD1-CD1 3.83Å; I119-I123 HydrophobicContact CG2-CD1 3.91Å; I119-I123 HydrophobicContact CG2-CG1 4.49Å; I119-I123 WeakPolarHBondContact O-CG1 3.29Å; I119-I123 PolarHBondContact O-N 3.31Å; N120-I123 PolarHBondContact O-N 3.46Å; I123-T125 VanDerWaalsContact C-N 3.31Å; I123-T125 PolarHBondContact O-N 3.09Å; I123-V127 HydrophobicContact CG2-CB 4.32Å; I123-V127 WeakPolarHBondContact O-CA 3.45Å; I123-V127 WeakPolarHBondContact O-CB 3.45Å; I123-V127 PolarHBondContact O-N 3.38Å; I123-Q128 PolarHBondContact O-N 3.34Å
124R86.6Confident73.4Confident170 Ų17092.8 Ų92.864%0.64248%0.483SS*.Iπ-helixtrans-64.1-31.5179.8-68172.9-172.4-177.32.2113.6N120 R121 I122 Q129N120-R124 WeakPolarHBondContact O-CG 3.42Å; N120-R124 PolarHBondContact O-N 2.94Å; N120-R124 VanDerWaalsContact O-N 3.11Å; R121-R124 PolarHBondContact O-N 2.84Å; I122-R124 PolarHBondContact O-N 3.44Å; R124-Q129 WeakPolarHBondContact O-CG 3.44Å
125T80.1Confident71.1Confident89 Ų8999.8 Ų99.855%0.54652%0.518SS..Iπ-helixtrans-97.2-15.8-176.3-57.70000114.2R121 I122 I123R121-T125 WeakPolarHBondContact O-CB 3.33Å; R121-T125 PolarHBondContact O-N 3.09Å; R121-T125 PolarHBondContact O-OG1 3.02Å; I122-T125 PolarHBondContact O-N 3.1Å; I122-T125 VanDerWaalsContact O-N 3.15Å; I123-T125 VanDerWaalsContact C-N 3.31Å; I123-T125 PolarHBondContact O-N 3.09Å
126K75.4Confident68.4Low139 Ų139103.1 Ų103.160%0.60453%0.531SS*.Iπ-helixtrans-127.4-23.4-175.4-71.8-65.8-167.3174.10115.8V80 I122V80-K126 HydrophobicContact CG1-CG 3.99Å; I122-K126 HydrophobicContact CG2-CB 4.43Å; I122-K126 WeakPolarHBondContact O-CB 3.44Å; I122-K126 PolarHBondContact O-N 3.05Å
127V69.3Low66.1Low50 Ų50103.7 Ų103.730%0.30355%0.547SS..Iπ-helixtrans-104.3-42.2178.4-172.10000110.4A84 K87 I123 Q129A84-V127 HydrophobicContact CB-CG2 3.81Å; K87-V127 HydrophobicContact CB-CG1 4.43Å; K87-V127 HydrophobicContact CB-CG2 4.36Å; K87-V127 HydrophobicContact CG-CG1 4.17Å; I123-V127 HydrophobicContact CG2-CB 4.32Å; I123-V127 WeakPolarHBondContact O-CA 3.45Å; I123-V127 WeakPolarHBondContact O-CB 3.45Å; I123-V127 PolarHBondContact O-N 3.38Å; V127-Q129 VanDerWaalsContact C-N 3.27Å; V127-Q129 PolarHBondContact O-N 2.95Å
128Q61Low63.5Low138 Ų138108.7 Ų108.765%0.64556%0.557SS**SBendtrans-81-1.9178.9-142.893.753.200114.1I123I123-Q128 PolarHBondContact O-N 3.34Å
129Q52.5Low60.8Low98 Ų98109.8 Ų109.846%0.45858%0.577SS.*  trans-132.387.5-172.7-76.1-68.9-1900110.9R124 V127 F131R124-Q129 WeakPolarHBondContact O-CG 3.44Å; V127-Q129 VanDerWaalsContact C-N 3.27Å; V127-Q129 PolarHBondContact O-N 2.95Å; Q129-F131 PolarHBondContact O-N 3.19Å
130P50.3Low58.3Low99 Ų99118.2 Ų118.264%0.64362%0.621SS**  trans-70.1-11.1179.1-18.331.7000114.6
131F44.4Very low55.4Low152 Ų152120.5 Ų120.567%0.66764%0.642SS**  trans-123.497.9-169.3-5.2-89.2000111.6Q129Q129-F131 PolarHBondContact O-N 3.19Å
132N40.4Very low53.2Low157 Ų157118 Ų11884%0.8465%0.651SS**  trans-150.948.5155.5-111.3-95.9000108.9
133L38.1Very low50.8Low157 Ų157119.3 Ų119.382%0.82267%0.671SS**  trans-73.2134.4166.1-119.270.5000108.7L135L133-L135 PolarHBondContact O-N 3.18Å
134P40.8Very low48.4Very low121 Ų121127.2 Ų127.279%0.78671%0.708SS**  trans-59.9118.1156.9-17.831.8000108.1D136P134-D136 PolarHBondContact O-N 3.17Å
135L38.7Very low46.2Very low173 Ų173124.8 Ų124.891%0.90671%0.712SS**  trans-76.789.2-179-176.464.1000110.2L133L133-L135 PolarHBondContact O-N 3.18Å
136D35.3Very low44.1Very low134 Ų134128.7 Ų128.772%0.71773%0.729SS**  trans-73.2151.1161-160.3-84.2000110P134P134-D136 PolarHBondContact O-N 3.17Å
137G42.2Very low42.4Very low61 Ų61129.6 Ų129.663%0.62974%0.738SS**SBendtrans-104.1110.6-160.400000114.8
138K37.1Very low40.9Very low198 Ų198133 Ų13386%0.86176%0.762SS**  trans179.3130.7143.654.5-137.6173.6-1550111.2
139G31.7Very low39.7Very low78 Ų78131.8 Ų131.880%0.80477%0.768SS**  trans165.2129.7177.800000110.4
140L40.7Very low38.9Very low176 Ų176133.3 Ų133.392%0.92179%0.79SS**  trans-95.1146.4-174.4-64.6168.9000111.6
141S30.4Very low38.2Very low107 Ų107133.2 Ų133.275%0.74880%0.797SS**  trans46.9107.9153-150.60000119.4G143S141-G143 PolarHBondContact O-N 3.45Å
142P44Very low37.7Very low141 Ų141132.6 Ų132.692%0.91681%0.806SS**  trans-81.2100.8164.925.2-15.8000110.5
143G39.4Very low37.6Very low57 Ų57130.8 Ų130.859%0.58880%0.8SS**  trans-160.978.7-178.500000115.4S141S141-G143 PolarHBondContact O-N 3.45Å
144H38.1Very low37.6Very low177 Ų177129.2 Ų129.282%0.81980%0.799SS**  trans-172.4117.5145.6-98.1-58.7000108
145T39.8Very low37.6Very low118 Ų118129 Ų12972%0.72480%0.798SS**  70.780.781.6-47.10000114.2
146L37.3Very low37.4Very low172 Ų172129.6 Ų129.690%0.90180%0.796SS**  trans-15486.7150.5-81.9-168.8000111
147I38.9Very low37.5Very low158 Ų158128.8 Ų128.881%0.8180%0.801SS**  trans-137.1114.8158.4-60.6-178.1000107.1
148P38.7Very low37.6Very low122 Ų122131.8 Ų131.879%0.79281%0.809SS**  trans-69.1138.1170.4-18.933.2000111.3
149S35.7Very low37.4Very low112 Ų112131.1 Ų131.178%0.78381%0.809SS**  trans-71144.7-172.1-50.10000114.4
150S35.7Very low37.8Very low130 Ų130131.9 Ų131.991%0.90980%0.803SS**  trans-133.7126131.9-84.20000107.2
151A34.7Very low37.5Very low97 Ų97130.6 Ų130.680%0.80280%0.796SS**  trans-98.8142.5-16700000112.7
152V33.9Very low38.3Very low139 Ų139131 Ų13184%0.84280%0.8SS**  trans-148.7136.4146.4128.10000108.1
153T38.5Very low38.4Very low118 Ų118131.5 Ų131.572%0.72479%0.794SS**PPolyproline II helixtrans-73.3144.1175.245.10000110.7P155T153-P155 WeakPolarHBondContact O-CD 3.27Å
154P37.1Very low38.9Very low124 Ų124132.9 Ų132.981%0.80581%0.808SS**PPolyproline II helixtrans-74.1119.5173.630-32.3000110.8
155P41.5Very low39.5Very low117 Ų117127.6 Ų127.676%0.7679%0.791SS**PPolyproline II helixtrans-78.1156.4157.734.9-33.3000110.4T153T153-P155 WeakPolarHBondContact O-CD 3.27Å
156E35.2Very low40.3Very low186 Ų186126.1 Ų126.187%0.86978%0.782SS**PPolyproline II helixtrans-57.8146.5175.3-162.5161.491.700113.1P158E156-P158 WeakPolarHBondContact O-CD 3.15Å
157S36.3Very low41Very low116 Ų116128.3 Ų128.381%0.81178%0.779SS**PPolyproline II helixtrans-74.1136.2178.2-51.50000112.5
158P44.2Very low42.1Very low124 Ų124123.7 Ų123.781%0.80576%0.761SS**PPolyproline II helixtrans-95169.7144.934.4-30.5000111.2E156E156-P158 WeakPolarHBondContact O-CD 3.15Å
159Q33.6Very low43.3Very low184 Ų184124.1 Ų124.186%0.8676%0.755SS**PPolyproline II helixtrans-97.3142.3-163.2-65168.6-101.200114.5
160S39.2Very low44.7Very low95 Ų95124 Ų12466%0.66475%0.746SS**  trans70.5148.5139.6-60.90000122.7
161D36.1Very low46Very low148 Ų148119.9 Ų119.979%0.79172%0.724SS**  trans77.6142.8153.7-53.9-34.8000121.2
162S47Very low47.4Very low117 Ų117121.8 Ų121.882%0.81872%0.72SS**  trans74.842.4166.8-50.20000120
163L44.6Very low48.6Very low151 Ų151121 Ų12179%0.79171%0.711SS**  trans-115.543.9161.1-74.6-179.1000114.2S165L163-S165 PolarHBondContact O-N 3.44Å
164G50Low49.2Very low86 Ų86118.3 Ų118.389%0.88771%0.707SS**THydrogen-bonded Turntrans-75.554.117400000114.7
165S51.3Low50Low65 Ų65117.6 Ų117.646%0.45570%0.695SS.*THydrogen-bonded Turntrans-156.1-9171.8-148.80000116.9L163 Y167 S168L163-S165 PolarHBondContact O-N 3.44Å; S165-Y167 PolarHBondContact O-N 3.02Å; S165-S168 PolarHBondContact O-N 2.72Å
166T56.5Low50.6Low87 Ų87117.1 Ų117.153%0.53469%0.692SS.*THydrogen-bonded Turntrans-65.3-4.8-174.9-34.50000114.9
167Y53.1Low51.9Low218 Ų218113.7 Ų113.786%0.85569%0.686SS**THydrogen-bonded Turntrans-1205.8178.2-50.9-73.6000113.4S165S165-Y167 PolarHBondContact O-N 3.02Å
168S62Low52.2Low62 Ų62114 Ų11443%0.43469%0.685SS.*SBendtrans-89.3146.7174.4-74.20000111.2S165 N170 G171 L172S165-S168 PolarHBondContact O-N 2.72Å; S168-N170 PolarHBondContact O-N 2.82Å; S168-G171 PolarHBondContact O-N 3.46Å; S168-L172 PolarHBondContact O-N 3.19Å
169I62.8Low51.9Low130 Ų130114.8 Ų114.867%0.66768%0.682SS**Hα-helixtrans-53.7-41.5-177.5-63.2171.8000111.6G171 L172 L173I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.42Å; I169-L172 PolarHBondContact O-N 3.05Å; I169-L173 PolarHBondContact O-N 3.37Å; I169-L173 VanDerWaalsContact O-N 3.15Å
170N65.4Low52.2Low109 Ų109111.9 Ų111.958%0.58368%0.677SS**Hα-helixtrans-62.6-34.3178.7-57.440.8000112.7S168 L173 G174 I175S168-N170 PolarHBondContact O-N 2.82Å; N170-L173 PolarHBondContact O-N 2.7Å; N170-G174 PolarHBondContact O-N 3.46Å; N170-G174 VanDerWaalsContact O-N 3.16Å; N170-I175 PolarHBondContact O-N 3.35Å
171G62.3Low52.1Low44 Ų44114.4 Ų114.445%0.45468%0.684SS.*Hα-helixtrans-72.2-31.4176.900000113.1S168 I169S168-G171 PolarHBondContact O-N 3.46Å; I169-G171 VanDerWaalsContact C-N 3.3Å; I169-G171 PolarHBondContact O-N 3.42Å
172L64.7Low52.1Low137 Ų137110.7 Ų110.772%0.71768%0.68SS**Hα-helixtrans-75.2-24173.2-76.8163.6000113.3S168 I169S168-L172 PolarHBondContact O-N 3.19Å; I169-L172 PolarHBondContact O-N 3.05Å
173L58.3Low51.7Low122 Ų122115.3 Ų115.364%0.63969%0.686SS**THydrogen-bonded Turntrans-94.4-3.7176.2-95.665.8000113.9I169 N170 I175I169-L173 PolarHBondContact O-N 3.37Å; I169-L173 VanDerWaalsContact O-N 3.15Å; N170-L173 PolarHBondContact O-N 2.7Å; L173-I175 VanDerWaalsContact C-N 3.3Å; L173-I175 HydrophobicContact CB-CD1 4.33Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 PolarHBondContact O-N 3.12Å
174G52.3Low51.5Low63 Ų63120.1 Ų120.165%0.64969%0.693SS**THydrogen-bonded Turntrans68.221.4174.300000115.4N170 P176N170-G174 PolarHBondContact O-N 3.46Å; N170-G174 VanDerWaalsContact O-N 3.16Å; G174-P176 WeakPolarHBondContact O-CD 3.13Å
175I52.7Low50.7Low109 Ų109121.3 Ų121.356%0.55969%0.688SS**PPolyproline II helixtrans-86.1118-179.1-55.6174.7000109.1N170 L173N170-I175 PolarHBondContact O-N 3.35Å; L173-I175 VanDerWaalsContact C-N 3.3Å; L173-I175 HydrophobicContact CB-CD1 4.33Å; L173-I175 HydrophobicContact CB-CG1 4.29Å; L173-I175 PolarHBondContact O-N 3.12Å
176P55.5Low50.4Low107 Ų107126 Ų12670%0.69570%0.702SS**PPolyproline II helixtrans-70.5141.5179.429-34.3000111.4G174G174-P176 WeakPolarHBondContact O-CD 3.13Å
177P61.3Low49.3Very low114 Ų114128.1 Ų128.174%0.7471%0.711SS**PPolyproline II helixtrans-71.2147.5174.530.5-34.5000111.2N179P177-N179 PolarHBondContact O-N 3.47Å
178P42.7Very low48.9Very low121 Ų121124.8 Ų124.879%0.78671%0.708SS**PPolyproline II helixtrans-67.3130.7171.728.8-33.5000110.3
179N38.4Very low47.8Very low141 Ų141126.4 Ų126.475%0.75472%0.719SS**PPolyproline II helixtrans-79.7134.9178.9-171.131.3000111.3P177 D181P177-N179 PolarHBondContact O-N 3.47Å; N179-D181 PolarHBondContact ND2-OD2 2.86Å
180T40.6Very low46.9Very low123 Ų123128 Ų12876%0.75573%0.729SS**  trans-136.177-179.359.50000112.3
181D36.1Very low45.7Very low149 Ų149131.5 Ų131.580%0.79774%0.742SS**  trans-66.8123.7162.3-82.2-75.3000110.5N179N179-D181 PolarHBondContact ND2-OD2 2.86Å
182G36Very low44.4Very low70 Ų70136.2 Ų136.272%0.72275%0.752SS**  trans173.670.2-179.300000116.9R184G182-R184 PolarHBondContact O-N 3Å; G182-R184 VanDerWaalsContact O-N 3.17Å
183K38.2Very low42.9Very low213 Ų213135.1 Ų135.193%0.92676%0.756SS**  trans-54.4117.1169.6-65.5177.9-180178.40111.7
184R40.9Very low41.8Very low252 Ų252134.9 Ų134.995%0.95176%0.763SS**  trans-145.4157.9146.6-62.4-169.4-155.6-162.57.5110.6G182G182-R184 PolarHBondContact O-N 3Å; G182-R184 VanDerWaalsContact O-N 3.17Å
185S34.1Very low40.9Very low112 Ų112141.1 Ų141.178%0.78377%0.767SS**  trans-86.9167.8-170.451.30000115
186H44Very low40.1Very low162 Ų162145.2 Ų145.275%0.7578%0.783SS**  trans99.1121.6137-157.626.3000118.6
187D33.8Very low39Very low133 Ų133144.2 Ų144.271%0.71178%0.779SS**  trans60142.7150.9-82.7-147.2000124.4
188D44.6Very low37.7Very low148 Ų148144.9 Ų144.979%0.79178%0.781SS**  trans-85.7120.9170.8-174.6-97.5000108.6
189S38.4Very low37.2Very low96 Ų96144.9 Ų144.967%0.67177%0.774SS**  trans-166.887.5174.6-83.20000111.5Q191S189-Q191 PolarHBondContact O-N 3.42Å
190D45.3Very low37.1Very low163 Ų163142.9 Ų142.987%0.87277%0.771SS**  trans-63.8123.3162.5-79.1-51.5000110.1
191Q38.6Very low36.8Very low182 Ų182146 Ų14685%0.8578%0.777SS**  trans-132.2124.7166.8-77.1-16735.900113.2S189S189-Q191 PolarHBondContact O-N 3.42Å
192E36.4Very low36.5Very low143 Ų143142 Ų14267%0.66877%0.771SS**  trans-38.2128.4177.7-70.4161.829.900116.5R195E192-R195 IonicContact OE1-CZ 3.26Å; E192-R195 VanDerWaalsContact OE1-CZ 3.26Å; E192-R195 IonicContact OE1-NE 2.83Å; E192-R195 PolarHBondContact OE1-NE 3.38Å; E192-R195 IonicContact OE1-NH2 2.8Å; E192-R195 PolarHBondContact OE1-NH2 3.3Å; E192-R195 IonicContact OE2-NH2 3.9Å
193S33.1Very low36.4Very low114 Ų114144.4 Ų144.480%0.79778%0.777SS**  trans-150.3134.2141.8-148.50000109
194C33.9Very low36.1Very low117 Ų117139.2 Ų139.279%0.79177%0.774SS**  cis-117.8149.68.1-58.50000112.2
195R34.9Very low35.7Very low194 Ų194131 Ų13173%0.73277%0.768SS**  trans-85.7152.4166.1-65.3-179.5173.9-163.6-5.1111.2E192E192-R195 IonicContact OE1-CZ 3.26Å; E192-R195 VanDerWaalsContact OE1-CZ 3.26Å; E192-R195 IonicContact OE1-NE 2.83Å; E192-R195 PolarHBondContact OE1-NE 3.38Å; E192-R195 IonicContact OE1-NH2 2.8Å; E192-R195 PolarHBondContact OE1-NH2 3.3Å; E192-R195 IonicContact OE2-NH2 3.9Å
196H34.3Very low35.7Very low195 Ų195132.5 Ų132.590%0.90377%0.772SS**  trans-139.2126.2141.5-102.2-79.9000109.3
197S33.4Very low36Very low87 Ų87129.9 Ų129.961%0.60877%0.769SS**  trans-78.6149176.8-133.50000110.6D199S197-D199 PolarHBondContact OG-OD1 2.73Å
198V34.3Very low35.9Very low128 Ų128135.3 Ų135.378%0.77678%0.779SS**  -156.511297.8-87.70000110.7
199D31.5Very low35.6Very low120 Ų120137.9 Ų137.964%0.64278%0.784SS**  28.8144.7119.7-10.4-46.1000118.9S197S197-D199 PolarHBondContact OG-OD1 2.73Å
200S36.9Very low35.4Very low100 Ų100142.9 Ų142.970%0.69980%0.796SS**  cis-171.4172.27.5-147.80000112.7
201Q33.5Very low34.6Very low188 Ų188142.7 Ų142.788%0.87979%0.792SS**  trans68.2141.4165.1-50.5-84-30.900117.5
202G31.2Very low34.1Very low65 Ų65144 Ų14467%0.6779%0.79SS**  cis174149.8-9.800000115.2
203S32.8Very low33.8Very low121 Ų121142.8 Ų142.885%0.84679%0.791SS**  trans60.1111.1154.9-144.20000123
204A32.5Very low33.6Very low104 Ų104144 Ų14486%0.8679%0.785SS**  trans31.9144131.900000123.6
205G32Very low33.5Very low80 Ų80145.4 Ų145.483%0.82578%0.779SS**  trans150.3105.3150.700000118.2
206V35Very low33.2Very low143 Ų143145 Ų14587%0.86778%0.783SS**  trans-116.1149.2165.41600000106
207P49.7Very low32.8Very low106 Ų106140.9 Ų140.969%0.68878%0.776SS**  cis-143.1-173.622.833.7-9.7000118.5
208R31.6Very low32.6Very low247 Ų247143.3 Ų143.393%0.93279%0.788SS**  trans95.6144.4135.7-126.3172.2-175.2139.70.7120.2
209K39.1Very low32.3Very low202 Ų202141.2 Ų141.288%0.87878%0.784SS**  trans-76.5145.7-177.9-60.7175.3175.8179.70113.3
210Q33.5Very low32.3Very low201 Ų201139.9 Ų139.994%0.93979%0.789SS**  trans-146.9179.4135.6-112.5174.611.300110.2
211M28.6Very low32.1Very low160 Ų160143.8 Ų143.879%0.78880%0.796SS**  trans-134.4150.6-160.1-102.5-149.780.300115.5
212R28.6Very low31.9Very low210 Ų210142.8 Ų142.879%0.79279%0.791SS**  trans84.2154.6150-160.1-170.7-102.1136-6.4117.8
213V29.4Very low32Very low116 Ų116146.5 Ų146.570%0.70380%0.795SS**  trans109.199.1154.5-175.30000115.9
214E28Very low32Very low141 Ų141148 Ų14866%0.65979%0.794SS**  trans62.6106.6138.7-53.2-48.696.900124.3
215H31.6Very low32.1Very low146 Ų146148.5 Ų148.568%0.67679%0.79SS**  67.2123.2117.1-81.3-127.5000124
216F30.2Very low31.9Very low184 Ų184147.7 Ų147.781%0.80778%0.781SS**  trans65.5115.8140.5-85.7-107.2000122.3
217S26.1Very low31.7Very low109 Ų109150.8 Ų150.876%0.76278%0.783SS**  -174.9151.7109.7-78.90000114.5
218T28.4Very low30.7Very low139 Ų139151.8 Ų151.885%0.85378%0.783SS**  trans2.4145.9146.3-180000118.5
219A29.1Very low30.7Very low84 Ų84149.2 Ų149.269%0.69477%0.773SS**  cis-151.5154.92000000110.5
220A31.1Very low30.2Very low91 Ų91148.1 Ų148.175%0.75277%0.771SS**  72.8148.678.900000117.6
221Q32.8Very low30.2Very low183 Ų183145.2 Ų145.286%0.85576%0.757SS**  trans85.1123.9171.9-57.3-171.510.900116.6
222H28.3Very low30.4Very low167 Ų167148.6 Ų148.677%0.77376%0.763SS**  83.7121.368.5-152.8-132.7000109.8
223L34.2Very low31.1Very low143 Ų143143.9 Ų143.975%0.74976%0.759SS**  cis-138.8169.334.1-87.7160.6000114
224D32.5Very low31.1Very low152 Ų152143.8 Ų143.881%0.81376%0.764SS**  trans-133.8137.7168.7172.447.4000110.9
225C33.8Very low31.3Very low115 Ų115144.3 Ų144.378%0.77777%0.771SS**  trans-178.8141170.252.70000110.6
226G29.3Very low31.4Very low63 Ų63141.3 Ų141.365%0.64977%0.767SS**  cis177.9-163.3-0.900000112.3
227F28.9Very low31.5Very low208 Ų208141.8 Ų141.891%0.91277%0.769SS**  trans69.7140.4-172-63.1-87.9000116.8
228D30.7Very low31.5Very low127 Ų127142 Ų14268%0.67977%0.77SS**  cis-150.3156.2-39.5-161.2-78000107.3
229R30Very low31.3Very low193 Ų193140.1 Ų140.173%0.72876%0.763SS**  trans-149.298.4-174.6-175.5175.8175.1152.9-1.5112.8H231R229-H231 PolarHBondContact NE-CE1 3.49Å; R229-H231 PolarHBondContact NE-NE2 3.2Å; R229-H231 PolarHBondContact NH2-NE2 3.31Å; R229-H231 PolarHBondContact O-N 2.77Å
230H30.3Very low31.2Very low179 Ų179141.9 Ų141.983%0.82977%0.765SS**  trans-70.3114.2167.2-64.6-39.4000112.1
231H32.3Very low31Very low139 Ų139142.7 Ų142.764%0.64477%0.765SS**  trans-129.3147.2153.3-75.713.2000107.1R229R229-H231 PolarHBondContact NE-CE1 3.49Å; R229-H231 PolarHBondContact NE-NE2 3.2Å; R229-H231 PolarHBondContact NH2-NE2 3.31Å; R229-H231 PolarHBondContact O-N 2.77Å
232Y33.3Very low31Very low231 Ų231139.9 Ų139.991%0.90677%0.766SS**  trans-128.3146.7170.5-122.4-107000109.2
233P42.5Very low31.1Very low111 Ų111137.7 Ų137.772%0.72177%0.769SS**  trans-94.2-176.1-161.938.2-37.8000114.1
234S28.9Very low31.4Very low114 Ų114141 Ų14180%0.79778%0.778SS**  trans-151123.8171.5-64.30000111.5
235D33.3Very low31.3Very low152 Ų152137.9 Ų137.981%0.81377%0.773SS**  trans177.1119.9150.5-101.8-40.8000107.4
236S32.9Very low31.4Very low84 Ų84141 Ų14159%0.58778%0.776SS**  86.5139.679.7-66.60000112.6
237F32.1Very low31.4Very low193 Ų193146.3 Ų146.385%0.84678%0.784SS**  cis-158.8-174.64.6-119.3-38.9000111.5
238S26.1Very low31.6Very low113 Ų113142.1 Ų142.179%0.7978%0.775SS**  trans89.8143.3175.3-40.30000116.1
239S25.4Very low31.6Very low101 Ų101143.2 Ų143.271%0.70678%0.78SS**  cis-154159.98.2-143.30000115.4
240T27.3Very low31.6Very low120 Ų120144.4 Ų144.474%0.73679%0.786SS**  trans54.9127151.549.10000124.2
241S27Very low32.7Very low108 Ų108140.6 Ų140.676%0.75578%0.777SS**  trans59.8120.8138.763.80000121.8
242S32.8Very low32.6Very low124 Ų124142.2 Ų142.287%0.86779%0.79SS**  trans-93138161.545.10000112.2
243S29Very low32.4Very low121 Ų121136.1 Ų136.185%0.84678%0.781SS**  trans-145.8155.3179.3-74.20000111.7
244K40.5Very low32Very low214 Ų214138.6 Ų138.693%0.9379%0.787SS**  trans-87.2141.9-177.7-76.5-178.2171.4-176.30114.3
245A30.6Very low32.4Very low85 Ų85141.2 Ų141.270%0.70279%0.791SS**  trans-160.6141.5141.100000106.2
246E35.5Very low32.4Very low180 Ų180141.7 Ų141.784%0.84179%0.793SS**  cis71.599.239.5-66.3-142.1115.900115.6
247Q31.1Very low32.2Very low176 Ų176141.5 Ų141.582%0.82280%0.804SS**  trans169.5118.4148.3-92.1149.899.900106.9
248T31.2Very low32.2Very low119 Ų119138.5 Ų138.573%0.7380%0.797SS**  56.2112.563.167.10000115.4
249L31.5Very low33Very low150 Ų150140.9 Ų140.979%0.78580%0.8SS**  166.1106.5119.1-85.6165.9000114.6
250Y30.4Very low33.4Very low219 Ų219142.2 Ų142.286%0.85980%0.8SS**  trans65.9166.9137.5-83.7-43.4000122.9
251P52.5Low33.9Very low98 Ų98144.1 Ų144.164%0.63681%0.805SS**  trans-133.4-173-135.146.7-30000115.7
252L30.5Very low34.1Very low173 Ų173143.4 Ų143.491%0.90681%0.806SS**  trans-150.5149.3139.1-143.468.7000112.1
253S30Very low34Very low103 Ų103147.7 Ų147.772%0.7281%0.809SS**  trans-107.5159.6178.5-50.10000111
254L33.5Very low34.3Very low164 Ų164148.2 Ų148.286%0.85981%0.807SS**  trans-174.9111.6138.1-105.5167.8000112
255I36.8Very low33.8Very low169 Ų169143.2 Ų143.287%0.86780%0.799SS**  trans-168.5122.6137-98.9154.9000105.5
256N32.8Very low33.9Very low161 Ų161146.6 Ų146.686%0.86181%0.805SS**  trans-117.7119-179.7-133.246.7000107.8
257G28.9Very low33.8Very low80 Ų80143.2 Ų143.283%0.82580%0.801SS**  trans-14192.617700000108.6
258N32.2Very low33.7Very low131 Ų131141.5 Ų141.570%0.70180%0.803SS**  trans-123.1119.3-171.9177.713.6000110.2
259L43Very low33.9Very low162 Ų162141.2 Ų141.285%0.84881%0.805SS**  trans-153.6151.9140.2-156.763000109.4
260D34.2Very low34Very low130 Ų130140 Ų14070%0.69581%0.81SS**  trans-105.2164.4-156.948.7-68.4000116.5
261D36.8Very low34.3Very low159 Ų159134.8 Ų134.885%0.8581%0.805SS**  trans-69.1146.6178-71.6-92.5000114.6
262A31.6Very low33.5Very low94 Ų94136.3 Ų136.378%0.77781%0.812SS**  trans-159.194.6145.500000114.4
263K32Very low33.7Very low213 Ų213135.7 Ų135.793%0.92681%0.808SS**  trans-163.4141.8137.8-111.3158.9-171.9173.40113.1
264T35.2Very low33.9Very low132 Ų132133.8 Ų133.881%0.8181%0.805SS**  trans-98.4149.2-163.247.90000113.9
265S30.5Very low34.1Very low109 Ų109137.7 Ų137.776%0.76281%0.808SS**  -178.8136.9122.6-80.70000115.3
266L32.3Very low33.8Very low156 Ų156136.5 Ų136.582%0.81780%0.804SS**  trans53.696.7152.6-93.460.9000122.1
267S31.8Very low33.8Very low109 Ų109136.5 Ų136.576%0.76280%0.803SS**  38.5124.5111.4-49.80000122
268T30.4Very low34.2Very low141 Ų141138 Ų13887%0.86580%0.801SS**  -166.4142.1112.8-74.40000109.9
269S34.2Very low34.1Very low112 Ų112136.3 Ų136.378%0.78381%0.805SS**  trans-147.4168.6-176.1-65.80000113.2
270S34.2Very low33.4Very low126 Ų126137.3 Ų137.388%0.88181%0.805SS**  trans88.7158.2164.880.70000119
271S36Very low34.6Very low108 Ų108136.5 Ų136.576%0.75581%0.807SS**  trans-163.2155.6-160.854.20000110.6
272V35.9Very low34Very low130 Ų130133.7 Ų133.779%0.78880%0.8SS**  trans-170.1142.9161.9-1000000113.2
273I35Very low33.7Very low161 Ų161139.5 Ų139.583%0.82680%0.803SS**  trans50.2141.2137.4-54.1164.1000119.3
274G33.8Very low33.7Very low63 Ų63134.8 Ų134.865%0.64979%0.792SS**  cis137.9137.9-5.100000114.6
275R37.7Very low33.6Very low245 Ų245135.6 Ų135.693%0.92580%0.797SS**  trans95.1107.1166.2-63.5-179.2171.3145.4-2.4121.7
276N31.7Very low33.5Very low145 Ų145135.9 Ų135.978%0.77579%0.794SS**  85.4144.7119.8-122.2-7.9000125.5
277L33Very low33.6Very low161 Ų161134.6 Ų134.684%0.84379%0.792SS**  trans74162.4152.7-78.7163.7000122.3
278S35.9Very low33.8Very low111 Ų111137 Ų13778%0.77679%0.792SS**  trans-128.5136.1-164.8169.90000112.1
279A30.3Very low34.5Very low96 Ų96135.6 Ų135.679%0.79379%0.785SS**  trans-169.1156.5151.700000111.6
280H29.8Very low34.5Very low182 Ų182136.8 Ų136.884%0.84378%0.781SS**  trans-90-177.4167.1-54.4-92.4000110.5
281P57.4Low34.5Very low114 Ų114139.4 Ų139.474%0.7478%0.78SS**  cis-128.3-179.7-31.924.8-3.6000112.5
282S24.6Very low34.2Very low100 Ų100139.7 Ų139.770%0.69978%0.777SS**  150.7128126.3-680000117.1
283Y26.7Very low34.5Very low216 Ų216141.6 Ų141.685%0.84778%0.782SS**  trans59.8141.9143.1-83.1-80.4000126.2
284T30.7Very low35.2Very low114 Ų114139.9 Ų139.970%0.69978%0.781SS**  trans58.9108.7154.3530000122.6
285V33.2Very low35.8Very low149 Ų149145.3 Ų145.390%0.90380%0.795SS**  -136.7163.1122.7178.60000107.6
286V28.5Very low35.5Very low115 Ų115139.9 Ų139.970%0.69779%0.793SS**  trans-126172.9-163179.60000112.3
287T34.4Very low35.8Very low128 Ų128141.2 Ų141.279%0.78580%0.799SS**  trans81107.3178.866.70000114.9
288E35.8Very low35.5Very low161 Ų161142 Ų14275%0.75280%0.796SS**  91.8146.166.7-100.8-115.810600112.9
289P45.3Very low35.1Very low111 Ų111144 Ų14472%0.72179%0.792SS**  cis-122.9-177.19.342.3-29000117.2
290L34.6Very low35Very low136 Ų136145.6 Ų145.671%0.71278%0.784SS**  trans-70.8168.5179.6-68.7160.3000113.6T292L290-T292 HydrophobicContact CD2-CG2 3.67Å
291Q33.3Very low35Very low182 Ų182145 Ų14585%0.8578%0.783SS**  cis-152.7136.143.2-71.6168.9-13.500109.7
292T30.9Very low33.7Very low114 Ų114143.9 Ų143.970%0.69978%0.778SS**  cis93.4111.847.257.10000116.6L290L290-T292 HydrophobicContact CD2-CG2 3.67Å
293L41.1Very low35Very low169 Ų169144.8 Ų144.889%0.88578%0.782SS**  trans-79.9174.6164.1-65.5171.2000111.6
294P50.7Low35Very low125 Ų125142.7 Ų142.781%0.81278%0.78SS**  -139.2154.4127.837.8-26.7000115.7
295L46.3Very low34.9Very low177 Ų177143.2 Ų143.293%0.92778%0.782SS**  trans-97.7158154.8-73.4169.5000109
296C30.7Very low34.8Very low131 Ų131141.9 Ų141.989%0.88577%0.774SS**  trans-147.8157.9172.6-158.40000112.8
297L39.1Very low34.8Very low173 Ų173141.5 Ų141.591%0.90678%0.777SS**  trans-145.1127.8-170.1-114.6169000110.7
298K27.2Very low34.7Very low179 Ų179141.5 Ų141.578%0.77878%0.777SS**  trans-171.6139.9170.8176.9163.4-175177.70109.1
299Q27.4Very low34.6Very low151 Ų151138.9 Ų138.971%0.70678%0.777SS**  cis99.2139.38.4-149.5-158.1-41.800116.9
300E28.2Very low34.6Very low130 Ų130139.5 Ų139.561%0.60778%0.781SS**  trans66.2139.8-179-52.8-50114.500115.4
301M28.6Very low34.7Very low170 Ų170138.3 Ų138.384%0.83778%0.783SS**  cis-156.1162.1-017257.3172.500109.1
302S29.7Very low35.5Very low90 Ų90135.6 Ų135.663%0.62978%0.782SS**  trans-109.1162.1179.4-165.80000112.7
303P51.8Low35.5Very low119 Ų119136.7 Ų136.777%0.77378%0.783SS**  -148.9-174.5104.238.9-20.6000116.7
304E27.2Very low35.1Very low173 Ų173135.9 Ų135.981%0.80878%0.777SS**  trans-64.5166-175.6-57.6166.171.100114.9
305V29.5Very low34.4Very low125 Ų125136 Ų13676%0.75878%0.775SS**  -165.6149.858.4-76.50000116.5
306T30.4Very low33.9Very low120 Ų120131.9 Ų131.974%0.73677%0.766SS**  trans30138.7140-34.60000124.6
307S29.2Very low34.1Very low107 Ų107130.8 Ų130.875%0.74876%0.76SS**  trans95.5154.2157.6-410000117.3
308T32.8Very low33.8Very low129 Ų129129.4 Ų129.479%0.79176%0.759SS**  cis174.4156.8-24.1-77.40000105.1
309S32.9Very low34.2Very low106 Ų106128.6 Ų128.674%0.74176%0.762SS**  trans-33.9159.7169.8-49.50000117.2
310P45.3Very low34.5Very low124 Ų124125.9 Ų125.981%0.80577%0.766SS**  cis-153.1-171.640.443.9-21.9000118.9
311S35.8Very low34.8Very low110 Ų110129.8 Ų129.877%0.76978%0.777SS**  trans-69.4158.4165.1-34.80000112.6
312P50.8Low35.1Very low125 Ų125125.9 Ų125.981%0.81276%0.762SS**  -161155.191.340.7-20.3000120.3
313N31.6Very low35.1Very low138 Ų138129.2 Ų129.274%0.73877%0.768SS**  trans30.9146.6131.3-129.91.5000126.8
314M32.5Very low34.3Very low151 Ų151129.9 Ų129.974%0.74476%0.764SS**  trans71.3164.2158.5-60.8-59.9-17600119.2
315V36.4Very low34.4Very low129 Ų129129.8 Ų129.878%0.78276%0.764SS**  cis-153.6160.818.2-141.60000113.7
316A36.1Very low34.4Very low89 Ų89127.3 Ų127.374%0.73676%0.757SS**  trans61.9153.6146.100000121
317S34Very low34.4Very low109 Ų109129 Ų12976%0.76276%0.76SS**  cis-160.3159.1-9.9-102.10000109.4
318T32.3Very low34.5Very low143 Ų143132.3 Ų132.388%0.87776%0.764SS**  17916295.3-620000110.6
319L36.6Very low34.5Very low162 Ų162135.5 Ų135.585%0.84877%0.767SS**  trans-110.4150-163.3-72.9163.3000117
320A33Very low35Very low95 Ų95135.9 Ų135.979%0.78577%0.767SS**  trans-164.4118.3136.400000106.8
321Y35.5Very low34.3Very low211 Ų211136.1 Ų136.183%0.82777%0.766SS**  65.3118.557.4-124.4-107.2000112.6
322V33Very low34.1Very low89 Ų89135.8 Ų135.854%0.53976%0.763SS.*  cis-164.8177.6-3.170.10000113.6
323E30.7Very low33.1Very low160 Ų160135.9 Ų135.975%0.74876%0.761SS**  trans84.2137.2160.9-79169.5-122.700119.6
324L34.6Very low33.1Very low132 Ų132134.1 Ų134.169%0.69176%0.76SS**  cis-153.4-75.7-18.7-138.8-177.2000115.7
325Q30Very low33.1Very low172 Ų172132.1 Ų132.180%0.80476%0.76SS**  trans-154.4163.2-157.3-99.3173.4-10.800111.2
326A29.6Very low32.7Very low73 Ų73131.8 Ų131.860%0.60376%0.764SS**  cis-163.6155.91.900000113.6
327L30.5Very low32.5Very low155 Ų155132.9 Ų132.981%0.81277%0.765SS**  trans58.2157.8143.1-85.3140.3000124.2
328Q30.9Very low32.5Very low177 Ų177135.8 Ų135.883%0.82777%0.772SS**  trans78.1120.5151.8-82.3165.6-25.100122.8
329K33.3Very low32.4Very low196 Ų196132.5 Ų132.585%0.85277%0.766SS**  trans-69.3154.5137.9-63.2175.2179.8176.70107.6
330P42Very low32.2Very low114 Ų114131.1 Ų131.174%0.7477%0.765SS**  cis-155171.845.644.8-24000119.5
331V30.8Very low32.1Very low129 Ų129133 Ų13378%0.78277%0.767SS**  trans37.2120.7134.6-1790000121.6
332S31.6Very low31.9Very low103 Ų103127.5 Ų127.572%0.7276%0.759SS**  trans105.5144.3136.2-88.90000125.3
333V30.3Very low31.7Very low126 Ų126128.3 Ų128.376%0.76477%0.769SS**  trans73.294.5147.7-65.10000125.4
334S30.8Very low31.7Very low102 Ų102125.3 Ų125.371%0.71377%0.766SS**  86.8146.8111.278.10000124.2
335S32.5Very low31.5Very low108 Ų108124.5 Ų124.576%0.75577%0.771SS**  trans74.7144.5158-50.20000117.1
336S29.7Very low31.6Very low123 Ų123121.1 Ų121.186%0.8677%0.767SS**  cis-142.5-179.926-75.80000114.8
337C31.6Very low31.8Very low111 Ų111123 Ų12375%0.7578%0.775SS**  trans-101.4162.8-178.255.90000114.6
338N33.5Very low32Very low170 Ų170123.2 Ų123.291%0.90978%0.777SS**  trans167.9150.6151.1-87.3-21.8000107.4
339G30.8Very low32Very low74 Ų74120.1 Ų120.176%0.76378%0.775SS**  cis-172.8158.5-700000108.4
340T31.3Very low32.2Very low134 Ų134121.4 Ų121.482%0.82278%0.776SS**  trans-89.4146.9-177.248.90000113.7
341T31.4Very low32.9Very low133 Ų133120.6 Ų120.682%0.81677%0.77SS**  178.4147.7121.233.20000115.3
342S30.6Very low32.9Very low96 Ų96121.7 Ų121.767%0.67177%0.772SS**  trans53.3108.1142.964.20000124
343S29.7Very low32.9Very low107 Ų107120.3 Ų120.375%0.74877%0.767SS**  45.3147.2120.860.20000122
344S30.7Very low33Very low97 Ų97123.2 Ų123.268%0.67877%0.77SS**  -170.6168.355.9-49.10000114.9
345S29.8Very low33.1Very low115 Ų115124.8 Ų124.880%0.80477%0.77SS**  trans72.1144155.4-53.20000118.5
346S32.6Very low32.9Very low101 Ų101123.5 Ų123.571%0.70676%0.761SS**  cis-161.6122.8-10.1-90.80000107.3
347S33.6Very low33Very low111 Ų111127 Ų12778%0.77676%0.761SS**  88.3115.968.275.50000114.9
348N35.6Very low33Very low160 Ų160125.1 Ų125.186%0.85675%0.749SS**  trans-85.6152.9176.5-86.1-15.8000113.7
349S30.3Very low32.9Very low112 Ų112125.1 Ų125.178%0.78374%0.743SS**  trans37113.6150.162.40000121.1
350Y38.1Very low33.1Very low224 Ų224130.1 Ų130.188%0.87875%0.746SS**  trans-64.1173158.4-69.1-74.7000114.2
351P55.2Low33Very low96 Ų96127.5 Ų127.562%0.62374%0.738SS**  cis-141.2-177.8-35.438.3-21.1000115.2
352N31.5Very low34.2Very low153 Ų153125.6 Ų125.682%0.81873%0.729SS**  trans74140.8152.8-65.3-17.5000119.7
353A32.1Very low34.1Very low73 Ų73128 Ų12860%0.60373%0.731SS**  cis-165174-13.800000112.3
354F32.7Very low34.2Very low188 Ų188132.6 Ų132.683%0.82573%0.733SS**  trans82.6100.4162.4-72.7-76000122.2
355N31.7Very low34.1Very low134 Ų134131.3 Ų131.372%0.71774%0.735SS**  trans65.8104.2130.4-90.8-25.6000123.3
356S28.6Very low34.3Very low82 Ų82132.5 Ų132.557%0.57373%0.728SS**  64.8109.9105.3-60.80000121.9
357F32.4Very low34.2Very low195 Ų195136.6 Ų136.686%0.85573%0.734SS**  trans62.2148.9133.5-68.5-74.8000119.4
358S30.1Very low34.1Very low73 Ų73136.2 Ų136.251%0.5173%0.731SS.*  cis-161.7170.412.6-140.20000115.9
359H33.4Very low33.9Very low169 Ų169133.6 Ų133.678%0.78273%0.725SS**  trans70114.5143.6-65.8-37.2000124.1
360H33.3Very low34.1Very low179 Ų179137 Ų13783%0.82973%0.729SS**  97.1117.9123.8-130.1-83.8000122.1
361A30Very low33.6Very low79 Ų79131.4 Ų131.465%0.65372%0.722SS**  trans-79.1-160.8167.100000112
362P56Low32.7Very low94 Ų94134.2 Ų134.261%0.6173%0.731SS**  cis-135.7-174.3-18.325.2-0.8000113.8
363M27.9Very low32.8Very low146 Ų146135.9 Ų135.972%0.71974%0.736SS**  149.5124.2128.3-77.1-81.499.300116.9
364Y31.9Very low33Very low203 Ų203137.9 Ų137.980%0.79675%0.745SS**  trans51.2151.6141.3-86-97.1000126.5
365G29.5Very low33.2Very low70 Ų70132 Ų13272%0.72274%0.737SS**  trans100.9103.3166.100000114.4
366Q34.2Very low33.6Very low140 Ų140137.3 Ų137.365%0.65475%0.747SS**  cis81.292.723.2-164.8-176-24.300116.4
367F31.1Very low33.9Very low188 Ų188141.1 Ų141.183%0.82576%0.761SS**  177.7-176.3121.3-100.2-65.2000112
368S31.5Very low34.4Very low102 Ų102140.4 Ų140.471%0.71376%0.763SS**  trans-127.8171.5-155.1-54.90000115.7
369S31.6Very low34.7Very low106 Ų106142.6 Ų142.674%0.74177%0.773SS**  trans77.1113.9152.936.90000122.2
370Q33Very low34.7Very low183 Ų183140.2 Ų140.286%0.85578%0.775SS**  trans59.2120.9130.5-56.4-69.19.100121.4
371S27.8Very low35.1Very low106 Ų106136.8 Ų136.874%0.74177%0.771SS**  -167.5136.1109.8-160.70000114.8
372I37.3Very low35.8Very low156 Ų156139.1 Ų139.180%0.878%0.778SS**  trans-1.6126.3155.2-45.7160.9000118.7
373M32Very low35.2Very low188 Ų188142.5 Ų142.593%0.92679%0.79SS**  trans-154.3153.1131.8-160.7130.770.200112.2
374S36.4Very low35.8Very low114 Ų114141.8 Ų141.880%0.79780%0.796SS**  trans-93154.1-175.3-172.40000113.5
375G37.4Very low36.4Very low64 Ų64135.4 Ų135.466%0.6679%0.792SS**  trans73114.714900000118.8
376R39.2Very low36.7Very low247 Ų247143.1 Ų143.193%0.93280%0.801SS**  trans-171.4106.9144.340.7-169163-165.8-5.3111.9
377D35.1Very low37.7Very low162 Ų162141.4 Ų141.487%0.86680%0.802SS**  trans-66.5163.1169.5-65.2-90.5000112.3V379D377-V379 PolarHBondContact O-N 2.76Å
378M44.1Very low38.5Very low179 Ų179138.4 Ų138.488%0.88280%0.801SS**  trans-78.7119-175.8-66.9-178.768.800112.3
379V36.2Very low39Very low120 Ų120142.5 Ų142.573%0.72781%0.809SS**  trans15107.7155.458.30000117.5D377D377-V379 PolarHBondContact O-N 2.76Å
380S32.7Very low39.7Very low119 Ų119144.6 Ų144.683%0.83281%0.81SS**  trans-121.5121.3152-163.40000108.3
381S42.3Very low40Very low106 Ų106141.9 Ų141.974%0.74181%0.808SS**  trans-94.9107.7-168.4-59.70000111.7
382T44.3Very low40.2Very low129 Ų129141.8 Ų141.879%0.79181%0.808SS**  trans-146.2136.2165.6-42.50000109.1
383L43.5Very low40.6Very low164 Ų164140.6 Ų140.686%0.85981%0.81SS**  trans-71.7150.4-174.8-85.585.2000112.5
384P40.8Very low40.7Very low131 Ų131136 Ų13685%0.85180%0.802SS**SBendtrans-73.5134.8174.331.3-34000110.9
385G43.8Very low40.6Very low70 Ų70139.9 Ų139.972%0.72281%0.808SS**  trans165.7-8.9175.300000118.2
386Y37.4Very low40.6Very low231 Ų231143.6 Ų143.691%0.90682%0.818SS**  trans-133.2139.6178.3-98.8-98.6000112.2
387P54.7Low40.3Very low104 Ų104135.4 Ų135.468%0.67581%0.811SS**PPolyproline II helixtrans-74.2149.5174.931.4-34.7000111.6
388P47.5Very low40.4Very low125 Ų125138.7 Ų138.781%0.81281%0.813SS**PPolyproline II helixtrans-73.2134.1-177.229.3-34.6000112.5I390P388-I390 PolarHBondContact O-N 2.8Å
389H42.3Very low39.8Very low188 Ų188135.8 Ų135.887%0.8781%0.81SS**PPolyproline II helixtrans-66.5129.7172.2-105.2-97.3000111.4P391H389-P391 WeakPolarHBondContact O-CD 3.44Å
390I45.4Very low39.8Very low150 Ų150135.2 Ų135.277%0.76981%0.811SS**PPolyproline II helixtrans-85.1120.6171.3-56.5172.6000108.7P388P388-I390 PolarHBondContact O-N 2.8Å
391P39.2Very low40.1Very low126 Ų126135.6 Ų135.682%0.81881%0.814SS**PPolyproline II helixtrans-82.4116.2168.431.7-30.2000109.9H389H389-P391 WeakPolarHBondContact O-CD 3.44Å
392S32.2Very low39.8Very low105 Ų105134.5 Ų134.573%0.73481%0.811SS**  trans-122.5139.2170.6-160.50000109.4A394S392-A394 PolarHBondContact O-N 2.83Å
393P45.5Very low39.5Very low130 Ų130136.6 Ų136.684%0.84482%0.816SS**  trans-87112.8-163.432.2-34.2000113.2
394A34.4Very low39.1Very low92 Ų92135.6 Ų135.676%0.7682%0.816SS**  trans-145.3116.717100000113.6S392S392-A394 PolarHBondContact O-N 2.83Å
395Q34.7Very low38.8Very low195 Ų195132.3 Ų132.391%0.91181%0.807SS**  trans43133.9145.3-61.4-175.4-2.500122.9
396T36.4Very low38.3Very low142 Ų142138 Ų13887%0.87182%0.817SS**  trans-54.6142.9157.948.30000114.1
397G33.9Very low38.4Very low76 Ų76134.3 Ų134.378%0.78482%0.818SS**  trans-164.4133.9167.600000112.6
398Y37.9Very low37.5Very low231 Ų231133.9 Ų133.991%0.90682%0.823SS**  trans-82.2152.1-173.9-59.4-97.1000113.6
399S30.8Very low37Very low118 Ų118133.1 Ų133.183%0.82583%0.827SS**  -160158.4123.3-159.20000111.7
400S37.1Very low36.4Very low107 Ų107128 Ų12875%0.74883%0.826SS**  trans-146.9141.6-179.5-650000111.5
401S38.3Very low35.9Very low127 Ų127125.1 Ų125.189%0.88882%0.824SS**  trans-177.8148.1164.1-86.50000109
402A35.4Very low35.6Very low83 Ų83126.3 Ų126.369%0.68682%0.824SS**  cis-158.2166.3-8.100000110
403I37.3Very low35.7Very low173 Ų173132.3 Ų132.389%0.88783%0.832SS**  trans-158.1143.7149.5-104.2155.2000107
404T36.9Very low35.4Very low143 Ų143131.3 Ų131.388%0.87783%0.828SS**  trans-151.8145.9-170.5-77.10000111.2
405G34.5Very low35.4Very low63 Ų63130.4 Ų130.465%0.64983%0.827SS**  trans105.7141.8175.200000113.5
406M33Very low35.3Very low189 Ų189129.9 Ų129.993%0.93183%0.825SS**  cis-152.4138.8-1.5-61.3169.7-78.300110.5
407V38.9Very low35.3Very low153 Ų153128.4 Ų128.493%0.92782%0.821SS**  trans-161.7156.7138.193.40000108.7
408A36.9Very low35.3Very low95 Ų95135.1 Ų135.179%0.78582%0.824SS**  trans-140.9141.3-174.600000112.6
409A35.3Very low35.2Very low109 Ų109127.8 Ų127.890%0.90182%0.819SS**  trans175159.3150.900000110.3
410G30Very low35.4Very low81 Ų81130.5 Ų130.584%0.83582%0.818SS**  trans109.498.5158.300000115.7
411A34.6Very low35.2Very low90 Ų90130.9 Ų130.974%0.74482%0.82SS**  trans-73.1153178.800000114.5
412D33.9Very low35.3Very low150 Ų150130.7 Ų130.780%0.80282%0.816SS**  trans37.8111.6143.7-56.7-51.6000120.5
413Y33.9Very low35Very low232 Ų232137.2 Ų137.291%0.9183%0.825SS**  trans-148.6149.7137.8-125.5-84.9000112
414S38.3Very low35.1Very low108 Ų108134.9 Ų134.976%0.75582%0.819SS**  trans-71.9140.8-176.4530000113.2
415G36.3Very low34.7Very low73 Ų73133 Ų13375%0.75381%0.812SS**  trans-85.3169.5-171.900000116.5
416Q32.2Very low34.6Very low184 Ų184140.5 Ų140.586%0.8682%0.822SS**  trans-137.8145.9159.1-88.9-64.8-2.600109.9
417S35.7Very low35Very low112 Ų112136.4 Ų136.478%0.78381%0.812SS**  trans-101.5111.7-171.2-630000112.1
418Y34.1Very low34.5Very low217 Ų217136.2 Ų136.285%0.85180%0.8SS**  trans-134.1118.4163.1-100.9-91.2000110.5
419G35.1Very low34.5Very low77 Ų77134.5 Ų134.579%0.79479%0.786SS**  trans-91.9136.2-178.800000112.3
420H36.1Very low34.6Very low174 Ų174141.3 Ų141.381%0.80679%0.789SS**  trans-116.7131.1170.8-73.8-82000110.5
421S32.2Very low35.2Very low115 Ų115147.7 Ų147.780%0.80479%0.788SS**PPolyproline II helixtrans-67.6145.4176.1-54.40000111.6
422P41.5Very low35.2Very low123 Ų123153.3 Ų153.380%0.79980%0.796SS**PPolyproline II helixtrans-69.4139.9-177.428-34.8000112.6
423Y29.2Very low35.3Very low221 Ų221152.1 Ų152.187%0.86779%0.794SS**PPolyproline II helixtrans-68.7131178.2-163.5-95.1000111
424T37.6Very low35.1Very low124 Ų124148.1 Ų148.176%0.76179%0.788SS**PPolyproline II helixtrans-82.8132.6179.3-63.10000111.5
425S30Very low35.2Very low104 Ų104148.1 Ų148.173%0.72779%0.788SS**PPolyproline II helixtrans-59.7134.1178.2-65.70000112.8S427S425-S427 PolarHBondContact O-N 3.4Å
426Y31.7Very low35.3Very low220 Ų220149.2 Ų149.286%0.86379%0.785SS**  trans-8393.7-176.5-167.2-89000111.7
427S40.4Very low35.8Very low103 Ų103148.1 Ų148.172%0.7278%0.783SS**  trans-145.787.3175.463.20000113.3S425S425-S427 PolarHBondContact O-N 3.4Å
428E30.2Very low36Very low148 Ų148151.4 Ų151.469%0.69279%0.791SS**  trans-156.1150.4146.4-166.948.3-99.100110.4
429A35.5Very low35.8Very low59 Ų59144.8 Ų144.849%0.48879%0.789SS.*  trans-88.9139.6-174.400000113.8R431A429-R431 PolarHBondContact O-N 2.69Å
430W37Very low35.7Very low253 Ų253146.2 Ų146.296%0.95879%0.787SS**  trans21.388145.7-62.591.7000116.9
431R44.1Very low36Very low215 Ų215143.9 Ų143.981%0.81179%0.787SS**  trans-108.4142.7161.3-61.4-169.7-177.9-175.12.6109.4A429A429-R431 PolarHBondContact O-N 2.69Å
432F34.7Very low36.1Very low207 Ų207149.4 Ų149.491%0.90879%0.792SS**  trans-66.3147.5-170-84-95.1000112.5N434F432-N434 PolarHBondContact O-N 3.45Å
433T34.9Very low35.8Very low126 Ų126154.1 Ų154.177%0.77380%0.795SS**  trans-58.4116.6176500000110.8
434N30.4Very low35.9Very low147 Ų147153.4 Ų153.479%0.78679%0.793SS**  trans-83.2113164.9-162.5-52.8000108.2F432 S436F432-N434 PolarHBondContact O-N 3.45Å; N434-S436 PolarHBondContact O-N 3.42Å
435S40.9Very low35.5Very low108 Ų108151.9 Ų151.976%0.75579%0.787SS**  trans-75106.3-177.6-60.50000110.8
436S37.8Very low35.8Very low97 Ų97153 Ų15368%0.67880%0.795SS**  trans-157.1162.5168.5-800000109.5N434N434-S436 PolarHBondContact O-N 3.42Å
437I42Very low36Very low161 Ų161146.5 Ų146.583%0.82679%0.787SS**  trans70.581.9-178.4-38.7163.6000114
438L40.3Very low36Very low180 Ų180147.5 Ų147.594%0.94279%0.793SS**  -167.5132111.5-121.3101.1000109.2
439G30.8Very low36.4Very low78 Ų78152 Ų15280%0.80480%0.804SS**  trans159.583.6-176.100000112.8
440S31.5Very low36.5Very low108 Ų108155.8 Ų155.876%0.75582%0.822SS**  trans-41.5155-171.6-57.30000118.5
441P42.6Very low36.8Very low125 Ų125147 Ų14781%0.81281%0.809SS**  trans-71.6145.9-176.530.9-36.9000113.2
442Y34.8Very low37.1Very low230 Ų230142.7 Ų142.790%0.90281%0.809SS**  trans-121146165.6-103-96.4000110.8
443Y34.8Very low37.8Very low222 Ų222139 Ų13987%0.87181%0.805SS**  trans-55.8143.1177.1-101.4-120.5000112.1
444Y32Very low38Very low207 Ų207138.8 Ų138.881%0.81281%0.81SS**  trans-122.596.8162.1-159-91.4000110.2
445S30Very low38.5Very low92 Ų92136.7 Ų136.764%0.64381%0.813SS**  trans-74.3139.8171.3-60.80000110.3A447S445-A447 PolarHBondContact O-N 3.49Å
446S36.4Very low38.4Very low127 Ų127136.3 Ų136.389%0.88882%0.816SS**  trans-70.4119.1-179.635.60000112.2
447A35.6Very low38.5Very low84 Ų84136.5 Ų136.569%0.69482%0.824SS**  trans-122.1123.616800000109.6S445S445-A447 PolarHBondContact O-N 3.49Å
448S39.2Very low38.6Very low123 Ų123133.7 Ų133.786%0.8682%0.824SS**PPolyproline II helixtrans-72.2132.6-178.938.80000111.5
449R39.1Very low38.8Very low242 Ų242135 Ų13591%0.91382%0.818SS**PPolyproline II helixtrans-90.9122.6173-75.9-177.6170.5-113.6-1.1110.5
450T38.3Very low39.7Very low140 Ų140138.7 Ų138.786%0.85982%0.819SS**PPolyproline II helixtrans-72153.4167.341.70000111.2
451G43.2Very low40.7Very low67 Ų67140.5 Ų140.569%0.69182%0.816SS**PPolyproline II helixtrans-81.1164.5-178.500000114.3
452P51.1Low41Very low125 Ų125146.2 Ų146.281%0.81284%0.838SS**PPolyproline II helixtrans-78.9151.7177.433.4-35.2000112.7
453P49.2Very low41.3Very low129 Ų129142 Ų14284%0.83884%0.835SS**PPolyproline II helixtrans-79.8163.3175.133.4-35.3000113.4
454S38.4Very low41.7Very low123 Ų123137.8 Ų137.886%0.8683%0.833SS**PPolyproline II helixtrans-68.9153.5-171-50.50000115.7
455A40.4Very low42.2Very low103 Ų103133.9 Ų133.985%0.85183%0.834SS**PPolyproline II helixtrans-81.9150.8161.100000111.5
456A38.7Very low42.9Very low100 Ų100136.4 Ų136.483%0.82685%0.845SS**  trans-153.8168.5173.300000110.6
457A39.5Very low43.3Very low101 Ų101137 Ų13784%0.83584%0.843SS**  trans65.390.2-179.400000115.9
458A45.3Very low43.8Very low102 Ų102140.5 Ų140.584%0.84385%0.852SS**  trans-81.5161.5149.400000109.8
459Y44.9Very low44.2Very low207 Ų207141.8 Ų141.881%0.81285%0.852SS**  trans-74.1147.2177.5-93.6-105.7000112.8H461Y459-H461 AromaticContact CD1-CD2 3.64Å; Y459-H461 AromaticContact CD1-NE2 3.97Å; Y459-H461 AromaticContact CE1-CD2 3.8Å; Y459-H461 AromaticContact CE1-NE2 3.7Å
460D48.1Very low44.6Very low155 Ų155134.1 Ų134.183%0.82985%0.847SS**  trans-144.8143.5150.5-161.6-87.1000107.7
461H54.5Low45.1Very low146 Ų146133.6 Ų133.668%0.67685%0.846SS**  trans-145146.6-176.7-98-51.7000110Y459Y459-H461 AromaticContact CD1-CD2 3.64Å; Y459-H461 AromaticContact CD1-NE2 3.97Å; Y459-H461 AromaticContact CE1-CD2 3.8Å; Y459-H461 AromaticContact CE1-NE2 3.7Å
462L47.9Very low45.3Very low245 Ų245139.6 Ų139.6100%1.28386%0.86SS**  trans-62.10176-74.569.4000112.7

Retrieved 462 of 462 residues in 324.7 ms (Link to these results)

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