A0A3Q0KU72_SCHMA Loading...

Radial spoke head 1 homolog

AlphaFold DB , UniProt , Accession A0A3Q0KU72, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 332 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
1M43.2Very low53.4Low148 Ų14894.7 Ų94.773%0.72948%0.478SS*.  0112.30-71.6-168.7167.400104.1D3 Y107M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.43Å; M1-Y107 HydrophobicContact CE-CD1 4.37Å; M1-Y107 HydrophobicContact CE-CE1 3.94Å; M1-Y107 HydrophobicContact CG-CE1 4.44Å; M1-Y107 HydrophobicContact SD-CE1 3.8Å
2S48.6Very low53.1Low45 Ų4599.2 Ų99.232%0.31550%0.496SS..  trans-71.696.3-177.848.80000107.5D4S2-D4 WeakPolarHBondContact CB-OD2 3.49Å; S2-D4 PolarHBondContact O-N 3.43Å
3D49.8Very low53Low90 Ų90105.8 Ų105.848%0.48153%0.525SS..  trans-64.7-1.1152.3-70.9-34.8000110.4M1 E5M1-D3 VanDerWaalsContact C-N 3.32Å; M1-D3 PolarHBondContact O-N 3.43Å; D3-E5 PolarHBondContact O-N 3.48Å
4D49Very low53.1Low125 Ų125104.5 Ų104.567%0.66855%0.551SS**  trans-54.7107.5177.5-49.9-37.2000110.9S2S2-D4 WeakPolarHBondContact CB-OD2 3.49Å; S2-D4 PolarHBondContact O-N 3.43Å
5E56.8Low53.9Low95 Ų95102.8 Ų102.844%0.44455%0.546SS..  trans-68.2138.7172.3-176.4166.1-159.200109.9D3 E7 R76 H120D3-E5 PolarHBondContact O-N 3.48Å; E5-E7 PolarHBondContact O-N 3.28Å; E5-R76 IonicContact OE1-NH2 3.71Å; E5-R76 PolarHBondContact OE1-NH2 2.74Å; E5-H120 IonicContact OE1-NE2 2.72Å
6A55.8Low55.1Low15 Ų15106.2 Ų106.212%0.12455%0.551CS.*  trans-76.498.8157.500000106.2E8 F61 F82A6-E8 PolarHBondContact O-N 3.44Å; A6-E8 VanDerWaalsContact O-N 3.14Å; A6-F61 HydrophobicContact CB-CD1 3.97Å; A6-F61 HydrophobicContact CB-CE1 3.77Å; A6-F61 HydrophobicContact CB-CZ 4.19Å; A6-F82 HydrophobicContact CB-CZ 4.04Å
7E54.8Low56.4Low169 Ų169103.4 Ų103.479%0.7954%0.536SS*.  trans-59.6115.3177.2-70.1-174.7175.400109.5E5E5-E7 PolarHBondContact O-N 3.28Å
8E58.9Low58.1Low39 Ų3998.4 Ų98.418%0.18252%0.515CS..PPolyproline II helixtrans-79.1139.1167.2-73.2-177.9-153.900108.9A6 E10 R53 F61A6-E8 PolarHBondContact O-N 3.44Å; A6-E8 VanDerWaalsContact O-N 3.14Å; E8-E10 PolarHBondContact O-N 2.89Å; E8-R53 IonicContact OE2-CZ 3.57Å; E8-R53 IonicContact OE2-NH1 2.82Å; E8-R53 PolarHBondContact OE2-NH1 3.36Å; E8-R53 IonicContact OE2-NH2 2.75Å; E8-R53 PolarHBondContact OE2-NH2 3.45Å; E8-F61 HydrophobicContact CG-CE1 3.51Å; E8-F61 HydrophobicContact CG-CZ 3.61Å; E8-F61 WeakPolarHBondContact OE1-CZ 3.27Å
9I55.5Low60Low107 Ų10799.8 Ų99.855%0.54952%0.518SS..PPolyproline II helixtrans-75.1124.1173.7-59.5173.4000107.7E11 N40I9-E11 PolarHBondContact O-N 3.31Å; I9-N40 HydrophobicContact CD1-CB 3.89Å
10E57.9Low61.8Low171 Ų17196.8 Ų96.880%0.79950%0.5SS*.PPolyproline II helixtrans-62118.7165.5-67.7-172.1170.700108.5E8 E12E8-E10 PolarHBondContact O-N 2.89Å; E10-E12 PolarHBondContact O-N 3.46Å
11E57.1Low63.5Low38 Ų3899 Ų9918%0.17851%0.508CS..  trans-65.397.7177.9-68.4-174.5-159.400109.3I9 L17 R30I9-E11 PolarHBondContact O-N 3.31Å; E11-L17 HydrophobicContact CB-CD2 3.91Å; E11-L17 HydrophobicContact CG-CD2 4.15Å; E11-R30 IonicContact OE1-NH1 3.34Å; E11-R30 IonicContact OE2-NH1 3.47Å; E11-R30 PolarHBondContact OE2-NH1 3.04Å
12E50.1Low66Low148 Ų14893.9 Ų93.969%0.69249%0.493SS*.  trans-75.4133175.8-159.9177-159.900110.3E10 G14 V15E10-E12 PolarHBondContact O-N 3.46Å; E12-G14 PolarHBondContact O-N 2.85Å; E12-V15 HydrophobicContact CB-CG2 4.07Å; E12-V15 PolarHBondContact O-N 3.48Å
13E51.3Low68.2Low186 Ų18693.5 Ų93.587%0.86950%0.496SS*.THydrogen-bonded Turntrans-58.7134178.6-74.6-173.9175.500111.5
14G54.6Low70.5Confident87 Ų8795.3 Ų95.390%0.89750%0.496SS*.THydrogen-bonded Turntrans89.7-4.6177.500000115.2E12E12-G14 PolarHBondContact O-N 2.85Å
15V64.9Low72.7Confident79 Ų7991 Ų9148%0.47947%0.474SS..SBendtrans-81.5144.8169.3-175.60000109.3E12 L17E12-V15 HydrophobicContact CB-CG2 4.07Å; E12-V15 PolarHBondContact O-N 3.48Å; V15-L17 WeakPolarHBondContact O-CG 3.16Å; V15-L17 PolarHBondContact O-N 3.49Å
16Y74.3Confident74.6Confident157 Ų15796.4 Ų96.462%0.61650%0.499SS*.  trans-56.4109.1170.1170.9-112.9000108.5G18 P39Y16-G18 PolarHBondContact O-N 3.49Å; Y16-P39 HydrophobicContact CD1-CG 4.2Å; Y16-P39 WeakPolarHBondContact O-CG 3.5Å
17L77.4Confident76.5Confident59 Ų59103.1 Ų103.131%0.30952%0.521SS..  trans-82.712.2-175.3-61.4175.9000113.4E11 V15 R30E11-L17 HydrophobicContact CB-CD2 3.91Å; E11-L17 HydrophobicContact CG-CD2 4.15Å; V15-L17 WeakPolarHBondContact O-CG 3.16Å; V15-L17 PolarHBondContact O-N 3.49Å; L17-R30 PolarHBondContact O-NH2 2.91Å
18G86.9Confident78.3Confident14 Ų14100.2 Ų100.214%0.14451%0.51CS..  trans84.1-167.2-177.400000114.2Y16 I37Y16-G18 PolarHBondContact O-N 3.49Å; G18-I37 CarbonylContact C-O 3.44Å; G18-I37 WeakPolarHBondContact CA-O 3.44Å
19E93.5Very high79.9Confident124 Ų124100.8 Ų100.858%0.57951%0.513SS*.EExtended strand (participates in β ladder)trans-79.8142177.3-59.9-175.5173.200110.1A36 I37E19-A36 CarbonylContact O-C 3.56Å; E19-A36 VanDerWaalsContact O-CA 3.23Å; E19-A36 WeakPolarHBondContact O-CA 3.21Å; E19-I37 HydrophobicContact CB-CB 4.29Å; E19-I37 PolarHBondContact N-O 3.06Å; E19-I37 PolarHBondContact O-N 2.89Å
20Y95Very high81.9Confident39 Ų3996.3 Ų96.315%0.15349%0.489CS..EExtended strand (participates in β ladder)trans-142.4128.8-179.4177.4-104.6000111.4G23 R24 R30 K35 A36 Y48Y20-G23 PolarHBondContact OH-O 2.7Å; Y20-R24 HydrophobicContact CE1-CG 4.35Å; Y20-R30 HydrophobicContact CD1-CG 4Å; Y20-R30 HydrophobicContact CD2-CG 3.97Å; Y20-R30 HydrophobicContact CE1-CB 4.15Å; Y20-R30 HydrophobicContact CE1-CG 3.84Å; Y20-R30 HydrophobicContact CE2-CB 4.05Å; Y20-R30 HydrophobicContact CE2-CG 3.8Å; Y20-R30 HydrophobicContact CG-CG 4.06Å; Y20-K35 WeakPolarHBondContact CA-O 3.46Å; Y20-K35 WeakPolarHBondContact CD2-O 3.21Å; Y20-A36 HydrophobicContact CD2-CB 4.17Å; Y20-Y48 HydrophobicContact CD2-CE2 4.48Å; Y20-Y48 HydrophobicContact CE2-CD2 4.02Å; Y20-Y48 AromaticContact CE2-CE2 3.67Å; Y20-Y48 HydrophobicContact CE2-CE2 3.67Å
21E97.5Very high83.8Confident145 Ų14591.3 Ų91.368%0.67847%0.466SS*.EExtended strand (participates in β ladder)trans-119.2112.9171.2-177.3-174.9-176.400108.5G34 K35E21-G34 CarbonylContact O-C 3.49Å; E21-G34 WeakPolarHBondContact O-CA 3.25Å; E21-K35 PolarHBondContact N-O 3.24Å; E21-K35 PolarHBondContact O-N 3.38Å
22G96.6Very high85.7Confident40 Ų4090.5 Ų90.541%0.41247%0.467SS..EExtended strand (participates in β ladder)trans167.3-179.6-178.800000113
23G95.2Very high88Confident37 Ų3789.5 Ų89.538%0.38146%0.458SS..EExtended strand (participates in β ladder)trans-67.2154.817700000112.8Y20 H31Y20-G23 PolarHBondContact OH-O 2.7Å; G23-H31 CarbonylContact C-O 3.43Å; G23-H31 VanDerWaalsContact C-O 3.23Å; G23-H31 WeakPolarHBondContact CA-O 3.41Å; G23-H31 PolarHBondContact O-N 2.85Å
24R96.8Very high90.2Very high127 Ų12780.7 Ų80.748%0.47942%0.418SS..EExtended strand (participates in β ladder)trans-130.9146.8171.4-64-176.4178.9-106.81.7110.3Y20 D28 E29Y20-R24 HydrophobicContact CE1-CG 4.35Å; R24-D28 WeakPolarHBondContact CD-OD1 3.23Å; R24-D28 IonicContact NE-OD1 3.92Å; R24-D28 PolarHBondContact NH1-O 2.92Å; R24-D28 IonicContact NH1-OD2 3.96Å; R24-E29 CarbonylContact C-O 3.46Å; R24-E29 WeakPolarHBondContact CA-O 3.34Å; R24-E29 WeakPolarHBondContact CB-O 3.38Å
25N96.3Very high92.3Very high36 Ų3681 Ų8119%0.19339%0.394CS..  trans-82.8-176.9174.669.110.6000111.3R27 D28 E29 H31 N50N25-R27 PolarHBondContact O-N 3.08Å; N25-R27 VanDerWaalsContact O-N 3.16Å; N25-R27 WeakPolarHBondContact OD1-CA 3.27Å; N25-R27 PolarHBondContact OD1-N 2.72Å; N25-D28 PolarHBondContact O-N 3.26Å; N25-D28 PolarHBondContact OD1-N 3.28Å; N25-E29 PolarHBondContact N-O 3.2Å; N25-E29 PolarHBondContact ND2-OE2 2.84Å; N25-E29 WeakPolarHBondContact OD1-CB 3.43Å; N25-E29 PolarHBondContact OD1-N 2.95Å; N25-H31 HydrophobicContact CB-CB 3.9Å; N25-N50 PolarHBondContact ND2-OD1 3.41Å
26E96.6Very high93.8Very high207 Ų20777.3 Ų77.397%0.96737%0.372SS*.THydrogen-bonded Turntrans-62-20.7-179.8-59.8-178.3173.500114.1D28E26-D28 VanDerWaalsContact C-N 3.27Å
27R94.8Very high94.9Very high157 Ų15773.9 Ų73.959%0.59236%0.363SS*.THydrogen-bonded Turntrans-89.88.3175.7-59.7-172.6-62.9-170.42.7112.6N25 E29 N50N25-R27 PolarHBondContact O-N 3.08Å; N25-R27 VanDerWaalsContact O-N 3.16Å; N25-R27 WeakPolarHBondContact OD1-CA 3.27Å; N25-R27 PolarHBondContact OD1-N 2.72Å; R27-E29 HydrophobicContact CB-CG 3.91Å; R27-E29 IonicContact CZ-OE1 3.97Å; R27-E29 VanDerWaalsContact CZ-OE1 3.24Å; R27-E29 IonicContact CZ-OE2 2.97Å; R27-E29 VanDerWaalsContact NE-CD 3.28Å; R27-E29 IonicContact NE-OE1 3.25Å; R27-E29 PolarHBondContact NE-OE1 2.78Å; R27-E29 VanDerWaalsContact NE-OE1 3.12Å; R27-E29 IonicContact NE-OE2 2.65Å; R27-E29 PolarHBondContact NE-OE2 2.94Å; R27-E29 IonicContact NH2-OE1 2.7Å; R27-E29 PolarHBondContact NH2-OE1 3Å; R27-E29 IonicContact NH2-OE2 3.55Å; R27-E29 PolarHBondContact NH2-OE2 2.81Å; R27-E29 PolarHBondContact O-N 2.78Å; R27-N50 PolarHBondContact NH2-OD1 2.81Å
28D92.7Very high95.6Very high107 Ų10771.7 Ų71.757%0.57235%0.352SS*.SBendtrans61.420.5-174.6-160.544.7000113.6R24 N25 E26R24-D28 WeakPolarHBondContact CD-OD1 3.23Å; R24-D28 IonicContact NE-OD1 3.92Å; R24-D28 PolarHBondContact NH1-O 2.92Å; R24-D28 IonicContact NH1-OD2 3.96Å; N25-D28 PolarHBondContact O-N 3.26Å; N25-D28 PolarHBondContact OD1-N 3.28Å; E26-D28 VanDerWaalsContact C-N 3.27Å
29E94.1Very high95.8Very high52 Ų5274.9 Ų74.924%0.24337%0.37CS..  trans-86150.8176.7-56.4162.8160.600110.4R24 N25 R27 H31 N50R24-E29 CarbonylContact C-O 3.46Å; R24-E29 WeakPolarHBondContact CA-O 3.34Å; R24-E29 WeakPolarHBondContact CB-O 3.38Å; N25-E29 PolarHBondContact N-O 3.2Å; N25-E29 PolarHBondContact ND2-OE2 2.84Å; N25-E29 WeakPolarHBondContact OD1-CB 3.43Å; N25-E29 PolarHBondContact OD1-N 2.95Å; R27-E29 HydrophobicContact CB-CG 3.91Å; R27-E29 IonicContact CZ-OE1 3.97Å; R27-E29 VanDerWaalsContact CZ-OE1 3.24Å; R27-E29 IonicContact CZ-OE2 2.97Å; R27-E29 VanDerWaalsContact NE-CD 3.28Å; R27-E29 IonicContact NE-OE1 3.25Å; R27-E29 PolarHBondContact NE-OE1 2.78Å; R27-E29 VanDerWaalsContact NE-OE1 3.12Å; R27-E29 IonicContact NE-OE2 2.65Å; R27-E29 PolarHBondContact NE-OE2 2.94Å; R27-E29 IonicContact NH2-OE1 2.7Å; R27-E29 PolarHBondContact NH2-OE1 3Å; R27-E29 IonicContact NH2-OE2 3.55Å; R27-E29 PolarHBondContact NH2-OE2 2.81Å; R27-E29 PolarHBondContact O-N 2.78Å; E29-H31 PolarHBondContact O-N 2.8Å; E29-N50 WeakPolarHBondContact OE2-CA 3.12Å
30R95.4Very high95.6Very high12 Ų1271.1 Ų71.15%0.04535%0.354CS..EExtended strand (participates in β ladder)trans-53.8129174.3-58.8175.4174.9164.6-9.8110E11 L17 Y20 Y48 G51E11-R30 IonicContact OE1-NH1 3.34Å; E11-R30 IonicContact OE2-NH1 3.47Å; E11-R30 PolarHBondContact OE2-NH1 3.04Å; L17-R30 PolarHBondContact O-NH2 2.91Å; Y20-R30 HydrophobicContact CD1-CG 4Å; Y20-R30 HydrophobicContact CD2-CG 3.97Å; Y20-R30 HydrophobicContact CE1-CB 4.15Å; Y20-R30 HydrophobicContact CE1-CG 3.84Å; Y20-R30 HydrophobicContact CE2-CB 4.05Å; Y20-R30 HydrophobicContact CE2-CG 3.8Å; Y20-R30 HydrophobicContact CG-CG 4.06Å; R30-Y48 HydrophobicContact CB-CD1 3.65Å; R30-Y48 HydrophobicContact CB-CD2 4.46Å; R30-Y48 HydrophobicContact CB-CE1 4.19Å; R30-Y48 HydrophobicContact CB-CG 3.8Å; R30-Y48 VanDerWaalsContact CD-CE1 3.48Å; R30-Y48 HydrophobicContact CG-CD1 4.42Å; R30-Y48 HydrophobicContact CG-CE1 4.49Å; R30-G51 WeakPolarHBondContact O-CA 3.4Å; R30-G51 PolarHBondContact O-N 2.85Å
31H97.9Very high95.4Very high67 Ų6771.1 Ų71.131%0.3137%0.365SS..EExtended strand (participates in β ladder)trans-152.9141.8-175.9-160.894.9000112.3G23 N25 E29 Y48G23-H31 CarbonylContact C-O 3.43Å; G23-H31 VanDerWaalsContact C-O 3.23Å; G23-H31 WeakPolarHBondContact CA-O 3.41Å; G23-H31 PolarHBondContact O-N 2.85Å; N25-H31 HydrophobicContact CB-CB 3.9Å; E29-H31 PolarHBondContact O-N 2.8Å; H31-Y48 CarbonylContact C-O 3.56Å
32G98.1Very high95.3Very high20 Ų2064.7 Ų64.721%0.20634%0.336CS..EExtended strand (participates in β ladder)trans70.6-154.3-173.500000111.8M47 Y48G32-M47 CarbonylContact O-C 3.47Å; G32-Y48 PolarHBondContact N-O 2.88Å; G32-Y48 PolarHBondContact O-N 3.23Å
33Y98.5Very high95.3Very high128 Ų12865.1 Ų65.150%0.50233%0.33SS..EExtended strand (participates in β ladder)trans-72.1137179.7-171.5-93.2000111.7E45 G46 M47Y33-E45 HydrophobicContact CE1-CG 4.4Å; Y33-E45 HydrophobicContact CE2-CG 4.37Å; Y33-E45 WeakPolarHBondContact OH-CG 3.49Å; Y33-E45 PolarHBondContact OH-OE1 3.14Å; Y33-G46 WeakPolarHBondContact CA-O 3.4Å; Y33-M47 HydrophobicContact CD2-SD 4.35Å
34G98.1Very high95.4Very high1 Ų163.4 Ų63.41%0.0131%0.313CS..EExtended strand (participates in β ladder)trans-160.6167.817300000114.1E21 E45 G46E21-G34 CarbonylContact O-C 3.49Å; E21-G34 WeakPolarHBondContact O-CA 3.25Å; G34-E45 WeakPolarHBondContact O-CA 3.11Å; G34-G46 PolarHBondContact N-O 2.94Å; G34-G46 PolarHBondContact O-N 3.2Å
35K98.5Very high95.5Very high93 Ų9360.6 Ų60.640%0.40431%0.305SS..EExtended strand (participates in β ladder)trans-119.8130.3176.4-55.4-175.7-165.9-132.90108.8Y20 E21 Y44 E45Y20-K35 WeakPolarHBondContact CA-O 3.46Å; Y20-K35 WeakPolarHBondContact CD2-O 3.21Å; E21-K35 PolarHBondContact N-O 3.24Å; E21-K35 PolarHBondContact O-N 3.38Å; K35-Y44 CarbonylContact C-O 3.52Å; K35-Y44 WeakPolarHBondContact CA-O 3.45Å; K35-E45 WeakPolarHBondContact CE-OE1 3.35Å; K35-E45 HydrophobicContact CG-CB 4.35Å; K35-E45 HydrophobicContact CG-CG 3.98Å; K35-E45 IonicContact NZ-OE1 3.83Å; K35-E45 PolarHBondContact NZ-OE1 3.49Å; K35-E45 IonicContact NZ-OE2 2.7Å
36A96.3Very high95.6Very high2 Ų259 Ų592%0.01730%0.297CS..EExtended strand (participates in β ladder)trans-125.9140.5178.500000111.1E19 Y20 L38 T43 Y44 Y48E19-A36 CarbonylContact O-C 3.56Å; E19-A36 VanDerWaalsContact O-CA 3.23Å; E19-A36 WeakPolarHBondContact O-CA 3.21Å; Y20-A36 HydrophobicContact CD2-CB 4.17Å; A36-L38 HydrophobicContact CB-CD2 4.33Å; A36-T43 VanDerWaalsContact O-CA 3.25Å; A36-T43 WeakPolarHBondContact O-CA 3.16Å; A36-Y44 PolarHBondContact N-O 2.9Å; A36-Y44 PolarHBondContact O-N 3.24Å; A36-Y48 VanDerWaalsContact CB-OH 3.31Å; A36-Y48 WeakPolarHBondContact CB-OH 3.45Å
37I95.9Very high95.7Very high84 Ų8453 Ų5343%0.43127%0.27SS..EExtended strand (participates in β ladder)trans-109.1109.8163.6-57.4173.1000106.1G18 E19 T43G18-I37 CarbonylContact C-O 3.44Å; G18-I37 WeakPolarHBondContact CA-O 3.44Å; E19-I37 HydrophobicContact CB-CB 4.29Å; E19-I37 PolarHBondContact N-O 3.06Å; E19-I37 PolarHBondContact O-N 2.89Å; I37-T43 HydrophobicContact CG1-CG2 4.12Å; I37-T43 HydrophobicContact CG2-CG2 4.46Å
38L92.4Very high95.8Very high14 Ų1445.8 Ų45.87%0.07324%0.243CC..  trans-78.1157.6-175-61.7178.9000111.3A36 N40 G41 D42 Y59A36-L38 HydrophobicContact CB-CD2 4.33Å; L38-N40 WeakPolarHBondContact CB-OD1 3.43Å; L38-N40 PolarHBondContact O-N 3Å; L38-N40 VanDerWaalsContact O-N 3.14Å; L38-G41 WeakPolarHBondContact O-CA 3.19Å; L38-G41 PolarHBondContact O-N 3.38Å; L38-D42 HydrophobicContact CB-CB 4.33Å; L38-D42 HydrophobicContact CD1-CB 4.1Å; L38-D42 PolarHBondContact N-O 3.39Å; L38-Y59 HydrophobicContact CD1-CE2 3.64Å; L38-Y59 VanDerWaalsContact CD1-OH 3.29Å; L38-Y59 WeakPolarHBondContact CD1-OH 3.15Å
39P91.2Very high96.1Very high81 Ų8145 Ų4553%0.52624%0.235SC..THydrogen-bonded Turntrans-60.1-27.8-176.5-24.434.2000114.6Y16 G41Y16-P39 HydrophobicContact CD1-CG 4.2Å; Y16-P39 WeakPolarHBondContact O-CG 3.5Å; P39-G41 PolarHBondContact O-N 3.5Å
40N88.8Confident96.2Very high45 Ų4546.1 Ų46.124%0.24124%0.243CC..THydrogen-bonded Turntrans-77.1-9176.965.7-5.4000113I9 L38 D42 K62I9-N40 HydrophobicContact CD1-CB 3.89Å; L38-N40 WeakPolarHBondContact CB-OD1 3.43Å; L38-N40 PolarHBondContact O-N 3Å; L38-N40 VanDerWaalsContact O-N 3.14Å; N40-D42 VanDerWaalsContact ND2-CG 3.27Å; N40-D42 PolarHBondContact ND2-OD2 3.2Å; N40-D42 VanDerWaalsContact OD1-CB 3.25Å; N40-D42 WeakPolarHBondContact OD1-CB 3.07Å; N40-D42 VanDerWaalsContact OD1-CG 3.29Å; N40-D42 PolarHBondContact OD1-N 3.41Å; N40-K62 WeakPolarHBondContact O-CD 3.31Å
41G91.9Very high96.1Very high38 Ų3846.4 Ų46.439%0.39225%0.25SC..SBendtrans93.43.1-176.900000114.3L38 P39L38-G41 WeakPolarHBondContact O-CA 3.19Å; L38-G41 PolarHBondContact O-N 3.38Å; P39-G41 PolarHBondContact O-N 3.5Å
42D95.1Very high96Very high11 Ų1147.2 Ų47.26%0.05925%0.252CS..  trans-71159.1169.6-62.7-12.2000110.1L38 N40 Y59 R60 F61 K62L38-D42 HydrophobicContact CB-CB 4.33Å; L38-D42 HydrophobicContact CD1-CB 4.1Å; L38-D42 PolarHBondContact N-O 3.39Å; N40-D42 VanDerWaalsContact ND2-CG 3.27Å; N40-D42 PolarHBondContact ND2-OD2 3.2Å; N40-D42 VanDerWaalsContact OD1-CB 3.25Å; N40-D42 WeakPolarHBondContact OD1-CB 3.07Å; N40-D42 VanDerWaalsContact OD1-CG 3.29Å; N40-D42 PolarHBondContact OD1-N 3.41Å; D42-Y59 HydrophobicContact CB-CE1 3.63Å; D42-Y59 VanDerWaalsContact CB-OH 3.29Å; D42-Y59 WeakPolarHBondContact CB-OH 2.9Å; D42-Y59 WeakPolarHBondContact OD2-CE1 3.19Å; D42-Y59 PolarHBondContact OD2-OH 3.42Å; D42-R60 CarbonylContact C-O 3.38Å; D42-R60 WeakPolarHBondContact CA-O 3.18Å; D42-F61 WeakPolarHBondContact OD1-CA 3.3Å; D42-K62 WeakPolarHBondContact OD1-CB 3.49Å; D42-K62 PolarHBondContact OD1-N 3.38Å
43T97.1Very high95.9Very high48 Ų4846.5 Ų46.529%0.29424%0.243SC..EExtended strand (participates in β ladder)trans-128.4144.9174.659.90000110.8A36 I37 Y59 R60A36-T43 VanDerWaalsContact O-CA 3.25Å; A36-T43 WeakPolarHBondContact O-CA 3.16Å; I37-T43 HydrophobicContact CG1-CG2 4.12Å; I37-T43 HydrophobicContact CG2-CG2 4.46Å; T43-Y59 CarbonylContact O-C 3.23Å; T43-Y59 WeakPolarHBondContact O-CA 3.19Å; T43-R60 PolarHBondContact N-O 3.27Å; T43-R60 PolarHBondContact O-N 2.85Å; T43-R60 WeakPolarHBondContact OG1-CB 3.24Å
44Y97.2Very high95.8Very high2 Ų242.4 Ų42.41%0.00823%0.23CC..EExtended strand (participates in β ladder)trans-129.5134173.4175.3-93.6000109.8K35 A36 M47 Y48 R53 V58 Y59 Y71K35-Y44 CarbonylContact C-O 3.52Å; K35-Y44 WeakPolarHBondContact CA-O 3.45Å; A36-Y44 PolarHBondContact N-O 2.9Å; A36-Y44 PolarHBondContact O-N 3.24Å; Y44-M47 PolarHBondContact OH-N 2.8Å; Y44-M47 PolarHBondContact OH-O 2.83Å; Y44-Y48 HydrophobicContact CD1-CE1 4.39Å; Y44-Y48 AromaticContact CD1-CE2 3.49Å; Y44-Y48 HydrophobicContact CD1-CE2 3.49Å; Y44-Y48 VanDerWaalsContact CD1-CE2 3.49Å; Y44-Y48 AromaticContact CD1-CZ 3.42Å; Y44-Y48 VanDerWaalsContact CD1-CZ 3.42Å; Y44-Y48 WeakPolarHBondContact CD1-OH 3.46Å; Y44-Y48 HydrophobicContact CE1-CD2 4Å; Y44-Y48 HydrophobicContact CE1-CE1 4.32Å; Y44-Y48 AromaticContact CE1-CE2 3.38Å; Y44-Y48 HydrophobicContact CE1-CE2 3.38Å; Y44-Y48 AromaticContact CE1-CZ 3.58Å; Y44-R53 HydrophobicContact CD1-CG 4.03Å; Y44-R53 HydrophobicContact CD2-CG 4.19Å; Y44-R53 HydrophobicContact CE1-CB 4.33Å; Y44-R53 HydrophobicContact CE1-CG 3.71Å; Y44-R53 HydrophobicContact CE2-CB 4.23Å; Y44-R53 HydrophobicContact CE2-CG 3.9Å; Y44-R53 HydrophobicContact CG-CG 4.22Å; Y44-V58 WeakPolarHBondContact CA-O 3.2Å; Y44-Y59 AromaticContact CD2-CD2 3.95Å; Y44-Y59 HydrophobicContact CD2-CD2 3.95Å; Y44-Y59 HydrophobicContact CG-CD2 4.44Å; Y44-Y71 HydrophobicContact CD2-CE2 4.47Å; Y44-Y71 AromaticContact CE2-CD2 3.97Å; Y44-Y71 HydrophobicContact CE2-CD2 3.97Å; Y44-Y71 AromaticContact CE2-CE2 3.68Å; Y44-Y71 HydrophobicContact CE2-CE2 3.68Å
45E98.6Very high95.9Very high67 Ų6743.7 Ų43.731%0.31324%0.243SC..EExtended strand (participates in β ladder)trans-130.4114.5173.4173.5164.4-152.400108.7Y33 G34 K35 G57 V58Y33-E45 HydrophobicContact CE1-CG 4.4Å; Y33-E45 HydrophobicContact CE2-CG 4.37Å; Y33-E45 WeakPolarHBondContact OH-CG 3.49Å; Y33-E45 PolarHBondContact OH-OE1 3.14Å; G34-E45 WeakPolarHBondContact O-CA 3.11Å; K35-E45 WeakPolarHBondContact CE-OE1 3.35Å; K35-E45 HydrophobicContact CG-CB 4.35Å; K35-E45 HydrophobicContact CG-CG 3.98Å; K35-E45 IonicContact NZ-OE1 3.83Å; K35-E45 PolarHBondContact NZ-OE1 3.49Å; K35-E45 IonicContact NZ-OE2 2.7Å; E45-G57 CarbonylContact O-C 3.56Å; E45-G57 WeakPolarHBondContact O-CA 3.41Å; E45-V58 PolarHBondContact N-O 3.24Å; E45-V58 PolarHBondContact O-N 3.34Å
46G98.4Very high95.9Very high2 Ų243 Ų432%0.02125%0.25CS..EExtended strand (participates in β ladder)trans167.7-163.9-174.500000113.7Y33 G34 S56Y33-G46 WeakPolarHBondContact CA-O 3.4Å; G34-G46 PolarHBondContact N-O 2.94Å; G34-G46 PolarHBondContact O-N 3.2Å; G46-S56 WeakPolarHBondContact CA-O 3.49Å
47M98.6Very high96Very high82 Ų8243.3 Ų43.340%0.40425%0.254SS..EExtended strand (participates in β ladder)trans-83.7143.8-176-64.8-66.1-79.500111.6G32 Y33 Y44 N54 S56G32-M47 CarbonylContact O-C 3.47Å; Y33-M47 HydrophobicContact CD2-SD 4.35Å; Y44-M47 PolarHBondContact OH-N 2.8Å; Y44-M47 PolarHBondContact OH-O 2.83Å; M47-N54 CarbonylContact C-O 3.5Å; M47-N54 VanDerWaalsContact C-O 3.24Å; M47-N54 WeakPolarHBondContact CB-O 3.18Å; M47-N54 PolarHBondContact O-N 3.19Å; M47-S56 PolarHBondContact N-O 3.25Å
48Y98Very high96.1Very high6 Ų641 Ų412%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-126.2144.8173.7-71.9-95000110.5Y20 R30 H31 G32 A36 Y44 K52 R53Y20-Y48 HydrophobicContact CD2-CE2 4.48Å; Y20-Y48 HydrophobicContact CE2-CD2 4.02Å; Y20-Y48 AromaticContact CE2-CE2 3.67Å; Y20-Y48 HydrophobicContact CE2-CE2 3.67Å; R30-Y48 HydrophobicContact CB-CD1 3.65Å; R30-Y48 HydrophobicContact CB-CD2 4.46Å; R30-Y48 HydrophobicContact CB-CE1 4.19Å; R30-Y48 HydrophobicContact CB-CG 3.8Å; R30-Y48 VanDerWaalsContact CD-CE1 3.48Å; R30-Y48 HydrophobicContact CG-CD1 4.42Å; R30-Y48 HydrophobicContact CG-CE1 4.49Å; H31-Y48 CarbonylContact C-O 3.56Å; G32-Y48 PolarHBondContact N-O 2.88Å; G32-Y48 PolarHBondContact O-N 3.23Å; A36-Y48 VanDerWaalsContact CB-OH 3.31Å; A36-Y48 WeakPolarHBondContact CB-OH 3.45Å; Y44-Y48 HydrophobicContact CD1-CE1 4.39Å; Y44-Y48 AromaticContact CD1-CE2 3.49Å; Y44-Y48 HydrophobicContact CD1-CE2 3.49Å; Y44-Y48 VanDerWaalsContact CD1-CE2 3.49Å; Y44-Y48 AromaticContact CD1-CZ 3.42Å; Y44-Y48 VanDerWaalsContact CD1-CZ 3.42Å; Y44-Y48 WeakPolarHBondContact CD1-OH 3.46Å; Y44-Y48 HydrophobicContact CE1-CD2 4Å; Y44-Y48 HydrophobicContact CE1-CE1 4.32Å; Y44-Y48 AromaticContact CE1-CE2 3.38Å; Y44-Y48 HydrophobicContact CE1-CE2 3.38Å; Y44-Y48 AromaticContact CE1-CZ 3.58Å; Y48-K52 CarbonylContact C-O 3.52Å; Y48-K52 WeakPolarHBondContact CA-O 3.14Å; Y48-R53 HydrophobicContact CD1-CG 4.31Å; Y48-R53 HydrophobicContact CE1-CG 3.79Å
49E98Very high96.3Very high89 Ų8940.4 Ų40.442%0.41624%0.24SC..EExtended strand (participates in β ladder)trans-134.7128.8166.7-175166.4-141.400109G51 K52 N54E49-G51 VanDerWaalsContact C-N 3.26Å; E49-G51 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact N-O 3.36Å; E49-K52 PolarHBondContact O-N 2.77Å; E49-N54 HydrophobicContact CB-CB 3.7Å; E49-N54 PolarHBondContact OE2-ND2 3.21Å
50N95.7Very high96.7Very high76 Ų7642 Ų4241%0.40624%0.236SC..THydrogen-bonded Turntrans48.945.1178.4-59.3-35.7000113.9N25 R27 E29 K52N25-N50 PolarHBondContact ND2-OD1 3.41Å; R27-N50 PolarHBondContact NH2-OD1 2.81Å; E29-N50 WeakPolarHBondContact OE2-CA 3.12Å; N50-K52 PolarHBondContact O-N 3.49Å
51G93.7Very high97Very high18 Ų1840.4 Ų40.419%0.18623%0.227CC..THydrogen-bonded Turntrans84.8-14.7179.100000114.9R30 E49R30-G51 WeakPolarHBondContact O-CA 3.4Å; R30-G51 PolarHBondContact O-N 2.85Å; E49-G51 VanDerWaalsContact C-N 3.26Å; E49-G51 PolarHBondContact O-N 2.89Å
52K95.3Very high97.1Very high85 Ų8546.2 Ų46.237%0.3724%0.241SC..EExtended strand (participates in β ladder)trans-104.7150.2-175.3-58.5-179.2-175.61750111.4Y48 E49 N50 N54 D73 N74Y48-K52 CarbonylContact C-O 3.52Å; Y48-K52 WeakPolarHBondContact CA-O 3.14Å; E49-K52 PolarHBondContact N-O 3.36Å; E49-K52 PolarHBondContact O-N 2.77Å; N50-K52 PolarHBondContact O-N 3.49Å; K52-N54 PolarHBondContact O-N 2.99Å; K52-D73 HydrophobicContact CD-CB 4.08Å; K52-D73 VanDerWaalsContact CD-OD1 3.29Å; K52-D73 WeakPolarHBondContact CD-OD1 3.24Å; K52-D73 IonicContact NZ-OD1 2.88Å; K52-D73 PolarHBondContact NZ-OD1 2.73Å; K52-N74 WeakPolarHBondContact CA-OD1 3.44Å
53R95.8Very high97Very high4 Ų450.1 Ų50.12%0.01526%0.262CS..EExtended strand (participates in β ladder)trans-61.7122.7170-61.6172.2-82.4159.6-5.1108.2E8 Y44 Y48 Y71 N74E8-R53 IonicContact OE2-CZ 3.57Å; E8-R53 IonicContact OE2-NH1 2.82Å; E8-R53 PolarHBondContact OE2-NH1 3.36Å; E8-R53 IonicContact OE2-NH2 2.75Å; E8-R53 PolarHBondContact OE2-NH2 3.45Å; Y44-R53 HydrophobicContact CD1-CG 4.03Å; Y44-R53 HydrophobicContact CD2-CG 4.19Å; Y44-R53 HydrophobicContact CE1-CB 4.33Å; Y44-R53 HydrophobicContact CE1-CG 3.71Å; Y44-R53 HydrophobicContact CE2-CB 4.23Å; Y44-R53 HydrophobicContact CE2-CG 3.9Å; Y44-R53 HydrophobicContact CG-CG 4.22Å; Y48-R53 HydrophobicContact CD1-CG 4.31Å; Y48-R53 HydrophobicContact CE1-CG 3.79Å; R53-Y71 HydrophobicContact CB-CD1 4.21Å; R53-Y71 HydrophobicContact CB-CG 4.06Å; R53-N74 PolarHBondContact N-OD1 3.47Å; R53-N74 PolarHBondContact NE-OD1 3.31Å; R53-N74 PolarHBondContact O-N 3.14Å
54N98.1Very high96.9Very high42 Ų4250.5 Ų50.523%0.22528%0.276CS..EExtended strand (participates in β ladder)trans-149.4133.7-179.8-166.330.2000110.1M47 E49 K52 Y71 E72M47-N54 CarbonylContact C-O 3.5Å; M47-N54 VanDerWaalsContact C-O 3.24Å; M47-N54 WeakPolarHBondContact CB-O 3.18Å; M47-N54 PolarHBondContact O-N 3.19Å; E49-N54 HydrophobicContact CB-CB 3.7Å; E49-N54 PolarHBondContact OE2-ND2 3.21Å; K52-N54 PolarHBondContact O-N 2.99Å; N54-Y71 CarbonylContact C-O 3.56Å; N54-Y71 WeakPolarHBondContact CA-O 3.45Å; N54-Y71 PolarHBondContact OD1-O 2.82Å; N54-E72 WeakPolarHBondContact OD1-CA 3.36Å
55G98.3Very high96.9Very high28 Ų2850.5 Ų50.529%0.28928%0.276SS..EExtended strand (participates in β ladder)trans83.3-157.1-171.700000113.1T70 Y71G55-T70 CarbonylContact O-C 3.56Å; G55-T70 VanDerWaalsContact O-CA 3.32Å; G55-T70 WeakPolarHBondContact O-CA 3.49Å; G55-Y71 PolarHBondContact N-O 3.18Å; G55-Y71 PolarHBondContact O-N 3.42Å
56S98.6Very high96.9Very high78 Ų7850.8 Ų50.855%0.54527%0.274SS..EExtended strand (participates in β ladder)trans-72.9141.3-174.6-55.90000113G46 M47 G69G46-S56 WeakPolarHBondContact CA-O 3.49Å; M47-S56 PolarHBondContact N-O 3.25Å; S56-G69 CarbonylContact C-O 3.48Å; S56-G69 WeakPolarHBondContact CA-O 3.39Å
57G98.4Very high96.9Very high9 Ų950.7 Ų50.79%0.09327%0.273CS..EExtended strand (participates in β ladder)trans-166.9166.5175.500000114.2E45 G69E45-G57 CarbonylContact O-C 3.56Å; E45-G57 WeakPolarHBondContact O-CA 3.41Å; G57-G69 PolarHBondContact N-O 2.81Å; G57-G69 PolarHBondContact O-N 2.82Å; G57-G69 VanDerWaalsContact O-N 3.07Å; G57-G69 VanDerWaalsContact O-O 3.12Å
58V98.7Very high96.9Very high36 Ų3648.3 Ų48.322%0.21826%0.262CS..EExtended strand (participates in β ladder)trans-119.3117.1176.1177.20000108.3Y44 E45 R60 R66 Y67 D68Y44-V58 WeakPolarHBondContact CA-O 3.2Å; E45-V58 PolarHBondContact N-O 3.24Å; E45-V58 PolarHBondContact O-N 3.34Å; V58-R60 HydrophobicContact CG1-CG 4.16Å; V58-R66 HydrophobicContact CG1-CG 4.34Å; V58-Y67 CarbonylContact C-O 3.43Å; V58-Y67 VanDerWaalsContact CA-O 3.32Å; V58-Y67 WeakPolarHBondContact CA-O 3.22Å; V58-D68 WeakPolarHBondContact CG1-OD1 3.29Å; V58-D68 VanDerWaalsContact CG2-OD1 3.25Å; V58-D68 WeakPolarHBondContact CG2-OD1 3.38Å
59Y97.9Very high96.9Very high1 Ų148.7 Ų48.70%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-105.1131.7172.8-164.7-75.8000109.4L38 D42 T43 Y44 F61 R66 Y67 Y71L38-Y59 HydrophobicContact CD1-CE2 3.64Å; L38-Y59 VanDerWaalsContact CD1-OH 3.29Å; L38-Y59 WeakPolarHBondContact CD1-OH 3.15Å; D42-Y59 HydrophobicContact CB-CE1 3.63Å; D42-Y59 VanDerWaalsContact CB-OH 3.29Å; D42-Y59 WeakPolarHBondContact CB-OH 2.9Å; D42-Y59 WeakPolarHBondContact OD2-CE1 3.19Å; D42-Y59 PolarHBondContact OD2-OH 3.42Å; T43-Y59 CarbonylContact O-C 3.23Å; T43-Y59 WeakPolarHBondContact O-CA 3.19Å; Y44-Y59 AromaticContact CD2-CD2 3.95Å; Y44-Y59 HydrophobicContact CD2-CD2 3.95Å; Y44-Y59 HydrophobicContact CG-CD2 4.44Å; Y59-F61 HydrophobicContact CD1-CD1 4.1Å; Y59-F61 AromaticContact CD1-CD2 3.58Å; Y59-F61 HydrophobicContact CD1-CD2 3.58Å; Y59-F61 AromaticContact CD1-CE1 3.99Å; Y59-F61 HydrophobicContact CD1-CE1 3.99Å; Y59-F61 AromaticContact CD1-CE2 3.44Å; Y59-F61 HydrophobicContact CD1-CE2 3.44Å; Y59-F61 VanDerWaalsContact CD1-CE2 3.44Å; Y59-F61 AromaticContact CD1-CG 3.91Å; Y59-F61 HydrophobicContact CD1-CG 3.91Å; Y59-F61 AromaticContact CD1-CZ 3.66Å; Y59-F61 HydrophobicContact CD1-CZ 3.66Å; Y59-F61 AromaticContact CE1-CD1 3.57Å; Y59-F61 HydrophobicContact CE1-CD1 3.57Å; Y59-F61 AromaticContact CE1-CD2 3.93Å; Y59-F61 HydrophobicContact CE1-CD2 3.93Å; Y59-F61 AromaticContact CE1-CE1 3.58Å; Y59-F61 HydrophobicContact CE1-CE1 3.58Å; Y59-F61 AromaticContact CE1-CE2 3.92Å; Y59-F61 HydrophobicContact CE1-CE2 3.92Å; Y59-F61 AromaticContact CE1-CG 3.75Å; Y59-F61 HydrophobicContact CE1-CG 3.75Å; Y59-F61 AromaticContact CE1-CZ 3.75Å; Y59-F61 HydrophobicContact CE1-CZ 3.75Å; Y59-F61 HydrophobicContact CG-CE2 4.37Å; Y59-R66 CarbonylContact O-C 3.59Å; Y59-R66 VanDerWaalsContact O-CA 3.27Å; Y59-R66 WeakPolarHBondContact O-CA 3.44Å; Y59-Y67 PolarHBondContact N-O 3.33Å; Y59-Y67 PolarHBondContact O-N 3.28Å; Y59-Y71 WeakPolarHBondContact CB-OH 3.32Å
60R98.1Very high96.9Very high114 Ų11446.5 Ų46.543%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-121.4115.2177.6-58.3176.2178.2-77.6-4.7108.1D42 T43 V58 R66D42-R60 CarbonylContact C-O 3.38Å; D42-R60 WeakPolarHBondContact CA-O 3.18Å; T43-R60 PolarHBondContact N-O 3.27Å; T43-R60 PolarHBondContact O-N 2.85Å; T43-R60 WeakPolarHBondContact OG1-CB 3.24Å; V58-R60 HydrophobicContact CG1-CG 4.16Å; R60-R66 HydrophobicContact CG-CG 4.4Å
61F95.7Very high97Very high13 Ų1343 Ų436%0.05724%0.242CC..  trans-79.8145.7178-62.3-100.8000109.5A6 E8 D42 Y59 N63 G64 A65 F82A6-F61 HydrophobicContact CB-CD1 3.97Å; A6-F61 HydrophobicContact CB-CE1 3.77Å; A6-F61 HydrophobicContact CB-CZ 4.19Å; E8-F61 HydrophobicContact CG-CE1 3.51Å; E8-F61 HydrophobicContact CG-CZ 3.61Å; E8-F61 WeakPolarHBondContact OE1-CZ 3.27Å; D42-F61 WeakPolarHBondContact OD1-CA 3.3Å; Y59-F61 HydrophobicContact CD1-CD1 4.1Å; Y59-F61 AromaticContact CD1-CD2 3.58Å; Y59-F61 HydrophobicContact CD1-CD2 3.58Å; Y59-F61 AromaticContact CD1-CE1 3.99Å; Y59-F61 HydrophobicContact CD1-CE1 3.99Å; Y59-F61 AromaticContact CD1-CE2 3.44Å; Y59-F61 HydrophobicContact CD1-CE2 3.44Å; Y59-F61 VanDerWaalsContact CD1-CE2 3.44Å; Y59-F61 AromaticContact CD1-CG 3.91Å; Y59-F61 HydrophobicContact CD1-CG 3.91Å; Y59-F61 AromaticContact CD1-CZ 3.66Å; Y59-F61 HydrophobicContact CD1-CZ 3.66Å; Y59-F61 AromaticContact CE1-CD1 3.57Å; Y59-F61 HydrophobicContact CE1-CD1 3.57Å; Y59-F61 AromaticContact CE1-CD2 3.93Å; Y59-F61 HydrophobicContact CE1-CD2 3.93Å; Y59-F61 AromaticContact CE1-CE1 3.58Å; Y59-F61 HydrophobicContact CE1-CE1 3.58Å; Y59-F61 AromaticContact CE1-CE2 3.92Å; Y59-F61 HydrophobicContact CE1-CE2 3.92Å; Y59-F61 AromaticContact CE1-CG 3.75Å; Y59-F61 HydrophobicContact CE1-CG 3.75Å; Y59-F61 AromaticContact CE1-CZ 3.75Å; Y59-F61 HydrophobicContact CE1-CZ 3.75Å; Y59-F61 HydrophobicContact CG-CE2 4.37Å; F61-N63 WeakPolarHBondContact CB-OD1 3.35Å; F61-N63 PolarHBondContact O-N 3.3Å; F61-N63 VanDerWaalsContact O-N 3.17Å; F61-G64 PolarHBondContact O-N 3.11Å; F61-A65 HydrophobicContact CB-CB 3.91Å; F61-A65 HydrophobicContact CD2-CB 3.62Å; F61-A65 WeakPolarHBondContact CD2-O 3.46Å; F61-A65 HydrophobicContact CE2-CB 4.39Å; F61-A65 HydrophobicContact CG-CB 3.92Å; F61-A65 PolarHBondContact N-O 2.76Å; F61-F82 HydrophobicContact CD2-CZ 4.46Å; F61-F82 AromaticContact CE2-CE2 3.66Å; F61-F82 HydrophobicContact CE2-CE2 3.66Å; F61-F82 AromaticContact CE2-CZ 3.91Å; F61-F82 HydrophobicContact CE2-CZ 3.91Å; F61-F82 AromaticContact CZ-CE2 3.99Å; F61-F82 HydrophobicContact CZ-CE2 3.99Å; F61-F82 HydrophobicContact CZ-CZ 4.31Å
62K94Very high97.2Very high160 Ų16046.6 Ų46.670%0.69625%0.254SS*.THydrogen-bonded Turntrans-58.8-27.3175.3177.3177.6173.3-175.70112.9N40 D42 G64N40-K62 WeakPolarHBondContact O-CD 3.31Å; D42-K62 WeakPolarHBondContact OD1-CB 3.49Å; D42-K62 PolarHBondContact OD1-N 3.38Å; K62-G64 PolarHBondContact O-N 3.06Å
63N93.8Very high97.2Very high93 Ų9347 Ų4750%0.49726%0.26SS..THydrogen-bonded Turntrans-74.9-3.7176.470.43.3000113.7F61 A65F61-N63 WeakPolarHBondContact CB-OD1 3.35Å; F61-N63 PolarHBondContact O-N 3.3Å; F61-N63 VanDerWaalsContact O-N 3.17Å; N63-A65 VanDerWaalsContact OD1-CB 3.25Å; N63-A65 WeakPolarHBondContact OD1-CB 3.27Å; N63-A65 PolarHBondContact OD1-N 3.45Å
64G94.5Very high97.2Very high56 Ų5648.1 Ų48.158%0.57727%0.266SS*.SBendtrans96.3-6.3-178.600000114.8F61 K62F61-G64 PolarHBondContact O-N 3.11Å; K62-G64 PolarHBondContact O-N 3.06Å
65A96.6Very high97.1Very high2 Ų250.4 Ų50.42%0.01727%0.274CS..  trans-65.5156.9170.300000110.7F61 N63 F82 Y83 P85F61-A65 HydrophobicContact CB-CB 3.91Å; F61-A65 HydrophobicContact CD2-CB 3.62Å; F61-A65 WeakPolarHBondContact CD2-O 3.46Å; F61-A65 HydrophobicContact CE2-CB 4.39Å; F61-A65 HydrophobicContact CG-CB 3.92Å; F61-A65 PolarHBondContact N-O 2.76Å; N63-A65 VanDerWaalsContact OD1-CB 3.25Å; N63-A65 WeakPolarHBondContact OD1-CB 3.27Å; N63-A65 PolarHBondContact OD1-N 3.45Å; A65-F82 HydrophobicContact CB-CE1 3.96Å; A65-F82 HydrophobicContact CB-CZ 3.85Å; A65-Y83 CarbonylContact C-O 3.57Å; A65-Y83 VanDerWaalsContact CA-O 3.26Å; A65-Y83 WeakPolarHBondContact CA-O 3.49Å; A65-P85 HydrophobicContact CB-CG 3.83Å
66R98Very high97Very high73 Ų7349.6 Ų49.628%0.27526%0.263SS..EExtended strand (participates in β ladder)trans-146.5139.7177.4175.8-171.6176.9-163.7-4.3110.4V58 Y59 R60 D68 F82 Y83V58-R66 HydrophobicContact CG1-CG 4.34Å; Y59-R66 CarbonylContact O-C 3.59Å; Y59-R66 VanDerWaalsContact O-CA 3.27Å; Y59-R66 WeakPolarHBondContact O-CA 3.44Å; R60-R66 HydrophobicContact CG-CG 4.4Å; R66-D68 VanDerWaalsContact CZ-CG 3.42Å; R66-D68 IonicContact CZ-OD1 3.12Å; R66-D68 IonicContact CZ-OD2 2.7Å; R66-D68 VanDerWaalsContact NE-CG 3.3Å; R66-D68 IonicContact NE-OD1 3.27Å; R66-D68 PolarHBondContact NE-OD1 2.76Å; R66-D68 IonicContact NE-OD2 3.16Å; R66-D68 PolarHBondContact NE-OD2 3.28Å; R66-D68 VanDerWaalsContact NE-OD2 3.12Å; R66-D68 IonicContact NH1-OD2 2.92Å; R66-D68 IonicContact NH2-OD1 3.24Å; R66-D68 PolarHBondContact NH2-OD1 2.98Å; R66-D68 IonicContact NH2-OD2 3.12Å; R66-D68 PolarHBondContact NH2-OD2 2.75Å; R66-F82 CarbonylContact O-C 3.51Å; R66-F82 WeakPolarHBondContact O-CA 3.45Å; R66-Y83 HydrophobicContact CB-CD2 4.07Å; R66-Y83 HydrophobicContact CG-CD2 4.08Å; R66-Y83 PolarHBondContact N-O 2.75Å; R66-Y83 PolarHBondContact O-N 2.83Å
67Y98.1Very high96.9Very high0 Ų048 Ų480%025%0.246CC..EExtended strand (participates in β ladder)trans-119.2127.8168.1176.6-98.3000110.3V58 Y59 G69 T70 Y71 R76 T81 F82 W94V58-Y67 CarbonylContact C-O 3.43Å; V58-Y67 VanDerWaalsContact CA-O 3.32Å; V58-Y67 WeakPolarHBondContact CA-O 3.22Å; Y59-Y67 PolarHBondContact N-O 3.33Å; Y59-Y67 PolarHBondContact O-N 3.28Å; Y67-G69 VanDerWaalsContact CE1-CA 3.49Å; Y67-T70 PolarHBondContact OH-N 2.84Å; Y67-T70 PolarHBondContact OH-O 3.49Å; Y67-Y71 AromaticContact CD1-CE2 3.6Å; Y67-Y71 HydrophobicContact CD1-CE2 3.6Å; Y67-Y71 AromaticContact CD1-CZ 3.51Å; Y67-Y71 WeakPolarHBondContact CD1-OH 3.42Å; Y67-Y71 HydrophobicContact CE1-CD2 4.22Å; Y67-Y71 HydrophobicContact CE1-CE1 4.48Å; Y67-Y71 AromaticContact CE1-CE2 3.5Å; Y67-Y71 HydrophobicContact CE1-CE2 3.5Å; Y67-Y71 AromaticContact CE1-CZ 3.67Å; Y67-R76 HydrophobicContact CD1-CG 4.09Å; Y67-R76 HydrophobicContact CD2-CG 4.29Å; Y67-R76 HydrophobicContact CE1-CB 4.3Å; Y67-R76 HydrophobicContact CE1-CG 3.76Å; Y67-R76 HydrophobicContact CE2-CB 4.28Å; Y67-R76 HydrophobicContact CE2-CG 4Å; Y67-R76 HydrophobicContact CG-CG 4.3Å; Y67-T81 WeakPolarHBondContact CA-O 3.19Å; Y67-F82 HydrophobicContact CD2-CB 4.21Å; Y67-F82 AromaticContact CD2-CD2 3.93Å; Y67-F82 HydrophobicContact CD2-CD2 3.93Å; Y67-F82 HydrophobicContact CG-CD2 4.34Å; Y67-W94 HydrophobicContact CD2-CZ2 4.29Å; Y67-W94 AromaticContact CE2-CD1 3.98Å; Y67-W94 HydrophobicContact CE2-CD2 4.15Å; Y67-W94 AromaticContact CE2-CE2 3.67Å; Y67-W94 HydrophobicContact CE2-CG 4.34Å; Y67-W94 HydrophobicContact CE2-CZ2 4.06Å; Y67-W94 AromaticContact CE2-NE1 3.58Å
68D98.7Very high96.9Very high32 Ų3248.9 Ų48.917%0.17126%0.255CS..EExtended strand (participates in β ladder)trans-114.5112169-63.3-33.3000108.4V58 R66 G80 T81 Y83V58-D68 WeakPolarHBondContact CG1-OD1 3.29Å; V58-D68 VanDerWaalsContact CG2-OD1 3.25Å; V58-D68 WeakPolarHBondContact CG2-OD1 3.38Å; R66-D68 VanDerWaalsContact CZ-CG 3.42Å; R66-D68 IonicContact CZ-OD1 3.12Å; R66-D68 IonicContact CZ-OD2 2.7Å; R66-D68 VanDerWaalsContact NE-CG 3.3Å; R66-D68 IonicContact NE-OD1 3.27Å; R66-D68 PolarHBondContact NE-OD1 2.76Å; R66-D68 IonicContact NE-OD2 3.16Å; R66-D68 PolarHBondContact NE-OD2 3.28Å; R66-D68 VanDerWaalsContact NE-OD2 3.12Å; R66-D68 IonicContact NH1-OD2 2.92Å; R66-D68 IonicContact NH2-OD1 3.24Å; R66-D68 PolarHBondContact NH2-OD1 2.98Å; R66-D68 IonicContact NH2-OD2 3.12Å; R66-D68 PolarHBondContact NH2-OD2 2.75Å; D68-G80 CarbonylContact O-C 3.54Å; D68-G80 WeakPolarHBondContact O-CA 3.19Å; D68-T81 PolarHBondContact N-O 3.16Å; D68-T81 PolarHBondContact O-N 2.83Å; D68-Y83 WeakPolarHBondContact OD2-CE2 3.4Å
69G98.4Very high96.9Very high14 Ų1452.6 Ų52.614%0.14427%0.27CS..EExtended strand (participates in β ladder)trans176.7-157.7-178.500000113.5S56 G57 Y67 Q79S56-G69 CarbonylContact C-O 3.48Å; S56-G69 WeakPolarHBondContact CA-O 3.39Å; G57-G69 PolarHBondContact N-O 2.81Å; G57-G69 PolarHBondContact O-N 2.82Å; G57-G69 VanDerWaalsContact O-N 3.07Å; G57-G69 VanDerWaalsContact O-O 3.12Å; Y67-G69 VanDerWaalsContact CE1-CA 3.49Å; G69-Q79 WeakPolarHBondContact CA-O 3.37Å
70T98.4Very high96.9Very high42 Ų4252.9 Ų52.926%0.25827%0.274SS..EExtended strand (participates in β ladder)trans-104.2150.3-179.542.20000112.7G55 Y67 Q77 Q79G55-T70 CarbonylContact O-C 3.56Å; G55-T70 VanDerWaalsContact O-CA 3.32Å; G55-T70 WeakPolarHBondContact O-CA 3.49Å; Y67-T70 PolarHBondContact OH-N 2.84Å; Y67-T70 PolarHBondContact OH-O 3.49Å; T70-Q77 CarbonylContact C-O 3.57Å; T70-Q77 WeakPolarHBondContact CB-O 3.27Å; T70-Q77 PolarHBondContact O-N 2.93Å; T70-Q77 PolarHBondContact OG1-O 3.3Å; T70-Q79 PolarHBondContact N-O 3Å; T70-Q79 PolarHBondContact OG1-O 2.86Å
71Y98.2Very high96.9Very high4 Ų448.9 Ų48.92%0.01626%0.262CS..EExtended strand (participates in β ladder)trans-121.5150.3176.1-69.8-95.9000110.3Y44 R53 N54 G55 Y59 Y67 K75 R76Y44-Y71 HydrophobicContact CD2-CE2 4.47Å; Y44-Y71 AromaticContact CE2-CD2 3.97Å; Y44-Y71 HydrophobicContact CE2-CD2 3.97Å; Y44-Y71 AromaticContact CE2-CE2 3.68Å; Y44-Y71 HydrophobicContact CE2-CE2 3.68Å; R53-Y71 HydrophobicContact CB-CD1 4.21Å; R53-Y71 HydrophobicContact CB-CG 4.06Å; N54-Y71 CarbonylContact C-O 3.56Å; N54-Y71 WeakPolarHBondContact CA-O 3.45Å; N54-Y71 PolarHBondContact OD1-O 2.82Å; G55-Y71 PolarHBondContact N-O 3.18Å; G55-Y71 PolarHBondContact O-N 3.42Å; Y59-Y71 WeakPolarHBondContact CB-OH 3.32Å; Y67-Y71 AromaticContact CD1-CE2 3.6Å; Y67-Y71 HydrophobicContact CD1-CE2 3.6Å; Y67-Y71 AromaticContact CD1-CZ 3.51Å; Y67-Y71 WeakPolarHBondContact CD1-OH 3.42Å; Y67-Y71 HydrophobicContact CE1-CD2 4.22Å; Y67-Y71 HydrophobicContact CE1-CE1 4.48Å; Y67-Y71 AromaticContact CE1-CE2 3.5Å; Y67-Y71 HydrophobicContact CE1-CE2 3.5Å; Y67-Y71 AromaticContact CE1-CZ 3.67Å; Y71-K75 CarbonylContact C-O 3.6Å; Y71-K75 WeakPolarHBondContact CA-O 3.5Å; Y71-R76 HydrophobicContact CD1-CG 4.38Å; Y71-R76 HydrophobicContact CE1-CG 3.78Å
72E97.8Very high97.1Very high93 Ų9348.4 Ų48.444%0.43526%0.26SS..EExtended strand (participates in β ladder)trans-133.9118.6166.3-175.7168.1-135.900107.1N54 N74 K75 Q77N54-E72 WeakPolarHBondContact OD1-CA 3.36Å; E72-N74 PolarHBondContact O-N 2.88Å; E72-K75 PolarHBondContact N-O 2.96Å; E72-K75 WeakPolarHBondContact O-CB 3.25Å; E72-K75 PolarHBondContact O-N 2.75Å; E72-Q77 HydrophobicContact CB-CB 3.79Å; E72-Q77 HydrophobicContact CB-CG 3.8Å; E72-Q77 VanDerWaalsContact OE2-CD 3.29Å; E72-Q77 WeakPolarHBondContact OE2-CG 3.23Å; E72-Q77 PolarHBondContact OE2-NE2 3.27Å
73D95.8Very high97.3Very high93 Ų9344.6 Ų44.650%0.49724%0.242SC..THydrogen-bonded Turntrans47.254.4-179-76.8-42.7000114.4K52 K75K52-D73 HydrophobicContact CD-CB 4.08Å; K52-D73 VanDerWaalsContact CD-OD1 3.29Å; K52-D73 WeakPolarHBondContact CD-OD1 3.24Å; K52-D73 IonicContact NZ-OD1 2.88Å; K52-D73 PolarHBondContact NZ-OD1 2.73Å; D73-K75 PolarHBondContact O-N 2.99Å
74N94.9Very high97.4Very high28 Ų2841.1 Ų41.115%0.1522%0.222CC..THydrogen-bonded Turntrans69.4-4.6-175.6-66.2-37.4000116.5K52 R53 E72K52-N74 WeakPolarHBondContact CA-OD1 3.44Å; R53-N74 PolarHBondContact N-OD1 3.47Å; R53-N74 PolarHBondContact NE-OD1 3.31Å; R53-N74 PolarHBondContact O-N 3.14Å; E72-N74 PolarHBondContact O-N 2.88Å
75K95.9Very high97.5Very high89 Ų8942.1 Ų42.139%0.38722%0.218SC..EExtended strand (participates in β ladder)trans-101.2139.2-179.8-60.5-176.7-172.9-178.70111.1Y71 E72 D73 Q77 E96Y71-K75 CarbonylContact C-O 3.6Å; Y71-K75 WeakPolarHBondContact CA-O 3.5Å; E72-K75 PolarHBondContact N-O 2.96Å; E72-K75 WeakPolarHBondContact O-CB 3.25Å; E72-K75 PolarHBondContact O-N 2.75Å; D73-K75 PolarHBondContact O-N 2.99Å; K75-Q77 PolarHBondContact O-N 3.07Å; K75-E96 VanDerWaalsContact CD-OE2 3.3Å; K75-E96 WeakPolarHBondContact CD-OE2 3.21Å; K75-E96 IonicContact NZ-OE2 2.76Å; K75-E96 PolarHBondContact NZ-OE2 3.18Å
76R96Very high97.4Very high12 Ų1244.9 Ų44.95%0.04523%0.233CC..EExtended strand (participates in β ladder)trans-58.7130.2170.7-61.8167.9-69-158.6-4.8109.2E5 Y67 Y71 F82 W94 G97E5-R76 IonicContact OE1-NH2 3.71Å; E5-R76 PolarHBondContact OE1-NH2 2.74Å; Y67-R76 HydrophobicContact CD1-CG 4.09Å; Y67-R76 HydrophobicContact CD2-CG 4.29Å; Y67-R76 HydrophobicContact CE1-CB 4.3Å; Y67-R76 HydrophobicContact CE1-CG 3.76Å; Y67-R76 HydrophobicContact CE2-CB 4.28Å; Y67-R76 HydrophobicContact CE2-CG 4Å; Y67-R76 HydrophobicContact CG-CG 4.3Å; Y71-R76 HydrophobicContact CD1-CG 4.38Å; Y71-R76 HydrophobicContact CE1-CG 3.78Å; R76-F82 VanDerWaalsContact NH1-CE2 3.33Å; R76-W94 HydrophobicContact CB-CB 4.15Å; R76-W94 HydrophobicContact CB-CD2 4.12Å; R76-W94 HydrophobicContact CB-CE3 3.98Å; R76-W94 HydrophobicContact CB-CG 4.2Å; R76-W94 VanDerWaalsContact CZ-CZ3 3.47Å; R76-G97 PolarHBondContact NE-O 3.13Å; R76-G97 PolarHBondContact NH2-O 2.85Å; R76-G97 WeakPolarHBondContact O-CA 3.31Å; R76-G97 PolarHBondContact O-N 3.25Å
77Q97.8Very high97.3Very high43 Ų4343.9 Ų43.920%0.20125%0.245CC..EExtended strand (participates in β ladder)trans-143.6152.8-173.2-169.972.4-18.500109.1T70 E72 K75 W94 S95T70-Q77 CarbonylContact C-O 3.57Å; T70-Q77 WeakPolarHBondContact CB-O 3.27Å; T70-Q77 PolarHBondContact O-N 2.93Å; T70-Q77 PolarHBondContact OG1-O 3.3Å; E72-Q77 HydrophobicContact CB-CB 3.79Å; E72-Q77 HydrophobicContact CB-CG 3.8Å; E72-Q77 VanDerWaalsContact OE2-CD 3.29Å; E72-Q77 WeakPolarHBondContact OE2-CG 3.23Å; E72-Q77 PolarHBondContact OE2-NE2 3.27Å; K75-Q77 PolarHBondContact O-N 3.07Å; Q77-W94 CarbonylContact C-O 3.56Å; Q77-S95 VanDerWaalsContact OE1-CA 3.29Å
78G97.9Very high97.3Very high28 Ų2844 Ų4429%0.28925%0.246SC..EExtended strand (participates in β ladder)trans65.5-142.2173.700000112.8N93 W94G78-N93 CarbonylContact O-C 3.24Å; G78-N93 VanDerWaalsContact O-CA 3.31Å; G78-N93 WeakPolarHBondContact O-CA 3.41Å; G78-W94 PolarHBondContact N-O 3.3Å; G78-W94 PolarHBondContact O-N 2.8Å
79Q98.4Very high97.3Very high114 Ų11444.6 Ų44.653%0.53325%0.249SC..EExtended strand (participates in β ladder)trans-85.1138.9-177.1-71.4-74-31.200111.5G69 T70 N93G69-Q79 WeakPolarHBondContact CA-O 3.37Å; T70-Q79 PolarHBondContact N-O 3Å; T70-Q79 PolarHBondContact OG1-O 2.86Å; Q79-N93 PolarHBondContact NE2-ND2 3.17Å; Q79-N93 PolarHBondContact NE2-OD1 3.21Å
80G98.4Very high97.3Very high7 Ų744 Ų447%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-168.8159.1172.300000114.2D68 G92 W94D68-G80 CarbonylContact O-C 3.54Å; D68-G80 WeakPolarHBondContact O-CA 3.19Å; G80-G92 PolarHBondContact N-O 3.41Å; G80-G92 PolarHBondContact O-N 3.47Å; G80-W94 PolarHBondContact O-NE1 3.06Å
81T98.7Very high97.3Very high31 Ų3145.9 Ų45.919%0.1925%0.248CC..EExtended strand (participates in β ladder)trans-112.7123.8177.1-56.30000110Y67 D68 Y83 I89 Y90 E91Y67-T81 WeakPolarHBondContact CA-O 3.19Å; D68-T81 PolarHBondContact N-O 3.16Å; D68-T81 PolarHBondContact O-N 2.83Å; T81-Y83 HydrophobicContact CG2-CD2 4.26Å; T81-Y83 HydrophobicContact CG2-CE1 3.98Å; T81-Y83 HydrophobicContact CG2-CE2 3.63Å; T81-Y83 VanDerWaalsContact CG2-CZ 3.47Å; T81-I89 HydrophobicContact CG2-CG2 3.75Å; T81-Y90 CarbonylContact C-O 3.51Å; T81-Y90 WeakPolarHBondContact CA-O 3.24Å; T81-E91 HydrophobicContact CG2-CG 3.69Å
82F98.3Very high97.3Very high2 Ų245.9 Ų45.91%0.00925%0.249CC..EExtended strand (participates in β ladder)trans-109.2120.8174.2-164.6-76.5000110A6 F61 A65 R66 Y67 R76 Y84 I89 Y90 W94A6-F82 HydrophobicContact CB-CZ 4.04Å; F61-F82 HydrophobicContact CD2-CZ 4.46Å; F61-F82 AromaticContact CE2-CE2 3.66Å; F61-F82 HydrophobicContact CE2-CE2 3.66Å; F61-F82 AromaticContact CE2-CZ 3.91Å; F61-F82 HydrophobicContact CE2-CZ 3.91Å; F61-F82 AromaticContact CZ-CE2 3.99Å; F61-F82 HydrophobicContact CZ-CE2 3.99Å; F61-F82 HydrophobicContact CZ-CZ 4.31Å; A65-F82 HydrophobicContact CB-CE1 3.96Å; A65-F82 HydrophobicContact CB-CZ 3.85Å; R66-F82 CarbonylContact O-C 3.51Å; R66-F82 WeakPolarHBondContact O-CA 3.45Å; Y67-F82 HydrophobicContact CD2-CB 4.21Å; Y67-F82 AromaticContact CD2-CD2 3.93Å; Y67-F82 HydrophobicContact CD2-CD2 3.93Å; Y67-F82 HydrophobicContact CG-CD2 4.34Å; R76-F82 VanDerWaalsContact NH1-CE2 3.33Å; F82-Y84 HydrophobicContact CB-CE2 4.45Å; F82-Y84 AromaticContact CD1-CD1 3.82Å; F82-Y84 HydrophobicContact CD1-CD1 3.82Å; F82-Y84 AromaticContact CD1-CD2 3.69Å; F82-Y84 HydrophobicContact CD1-CD2 3.69Å; F82-Y84 AromaticContact CD1-CE1 3.74Å; F82-Y84 HydrophobicContact CD1-CE1 3.74Å; F82-Y84 AromaticContact CD1-CE2 3.61Å; F82-Y84 HydrophobicContact CD1-CE2 3.61Å; F82-Y84 AromaticContact CD1-CG 3.79Å; F82-Y84 HydrophobicContact CD1-CG 3.79Å; F82-Y84 AromaticContact CD1-CZ 3.64Å; F82-Y84 AromaticContact CE1-CD1 3.56Å; F82-Y84 HydrophobicContact CE1-CD1 3.56Å; F82-Y84 HydrophobicContact CE1-CD2 4.26Å; F82-Y84 AromaticContact CE1-CE1 3.66Å; F82-Y84 HydrophobicContact CE1-CE1 3.66Å; F82-Y84 HydrophobicContact CE1-CE2 4.35Å; F82-Y84 AromaticContact CE1-CG 3.87Å; F82-Y84 HydrophobicContact CE1-CG 3.87Å; F82-Y84 HydrophobicContact CG-CE2 4.39Å; F82-I89 CarbonylContact O-C 3.59Å; F82-I89 WeakPolarHBondContact O-CA 3.34Å; F82-Y90 PolarHBondContact N-O 3.4Å; F82-Y90 PolarHBondContact O-N 3.49Å; F82-W94 HydrophobicContact CB-CH2 4.12Å; F82-W94 HydrophobicContact CB-CZ2 3.71Å; F82-W94 HydrophobicContact CD2-CH2 4.18Å; F82-W94 HydrophobicContact CD2-CZ2 4.44Å; F82-W94 HydrophobicContact CG-CH2 4.36Å; F82-W94 HydrophobicContact CG-CZ2 4.42Å
83Y98.2Very high97.4Very high80 Ų8043.9 Ų43.931%0.31424%0.242SC..EExtended strand (participates in β ladder)trans-96.8116.4172.6-54.1-89.3000108.4A65 R66 D68 T81 I89A65-Y83 CarbonylContact C-O 3.57Å; A65-Y83 VanDerWaalsContact CA-O 3.26Å; A65-Y83 WeakPolarHBondContact CA-O 3.49Å; R66-Y83 HydrophobicContact CB-CD2 4.07Å; R66-Y83 HydrophobicContact CG-CD2 4.08Å; R66-Y83 PolarHBondContact N-O 2.75Å; R66-Y83 PolarHBondContact O-N 2.83Å; D68-Y83 WeakPolarHBondContact OD2-CE2 3.4Å; T81-Y83 HydrophobicContact CG2-CD2 4.26Å; T81-Y83 HydrophobicContact CG2-CE1 3.98Å; T81-Y83 HydrophobicContact CG2-CE2 3.63Å; T81-Y83 VanDerWaalsContact CG2-CZ 3.47Å; Y83-I89 HydrophobicContact CD1-CD1 4.08Å; Y83-I89 HydrophobicContact CD1-CG1 4.01Å; Y83-I89 HydrophobicContact CD1-CG2 4.12Å; Y83-I89 HydrophobicContact CE1-CD1 4.16Å; Y83-I89 HydrophobicContact CE1-CG1 4.48Å; Y83-I89 HydrophobicContact CE1-CG2 4.13Å
84Y96.8Very high97.5Very high21 Ų2139.8 Ų39.88%0.08222%0.219CC..  trans-83.1154.3179.4-68.4-91.9000111.1F82 D86 G87 S88 Y105F82-Y84 HydrophobicContact CB-CE2 4.45Å; F82-Y84 AromaticContact CD1-CD1 3.82Å; F82-Y84 HydrophobicContact CD1-CD1 3.82Å; F82-Y84 AromaticContact CD1-CD2 3.69Å; F82-Y84 HydrophobicContact CD1-CD2 3.69Å; F82-Y84 AromaticContact CD1-CE1 3.74Å; F82-Y84 HydrophobicContact CD1-CE1 3.74Å; F82-Y84 AromaticContact CD1-CE2 3.61Å; F82-Y84 HydrophobicContact CD1-CE2 3.61Å; F82-Y84 AromaticContact CD1-CG 3.79Å; F82-Y84 HydrophobicContact CD1-CG 3.79Å; F82-Y84 AromaticContact CD1-CZ 3.64Å; F82-Y84 AromaticContact CE1-CD1 3.56Å; F82-Y84 HydrophobicContact CE1-CD1 3.56Å; F82-Y84 HydrophobicContact CE1-CD2 4.26Å; F82-Y84 AromaticContact CE1-CE1 3.66Å; F82-Y84 HydrophobicContact CE1-CE1 3.66Å; F82-Y84 HydrophobicContact CE1-CE2 4.35Å; F82-Y84 AromaticContact CE1-CG 3.87Å; F82-Y84 HydrophobicContact CE1-CG 3.87Å; F82-Y84 HydrophobicContact CG-CE2 4.39Å; Y84-D86 WeakPolarHBondContact CB-OD1 3.33Å; Y84-D86 PolarHBondContact O-N 2.92Å; Y84-G87 PolarHBondContact O-N 3.45Å; Y84-S88 WeakPolarHBondContact CB-O 3.45Å; Y84-S88 WeakPolarHBondContact CD2-O 3.44Å; Y84-S88 PolarHBondContact N-O 3.33Å; Y84-Y105 HydrophobicContact CD2-CE2 4.2Å; Y84-Y105 HydrophobicContact CE2-CD2 4.43Å; Y84-Y105 AromaticContact CE2-CE2 3.52Å; Y84-Y105 HydrophobicContact CE2-CE2 3.52Å; Y84-Y105 AromaticContact CZ-CE2 3.98Å
85P95.8Very high97.6Very high76 Ų7640.5 Ų40.549%0.49423%0.227SC..THydrogen-bonded Turntrans-61.8-26.4-180-23.134.4000114.1A65 G87A65-P85 HydrophobicContact CB-CG 3.83Å; P85-G87 PolarHBondContact O-N 3.27Å
86D95.7Very high97.6Very high61 Ų6141.2 Ų41.233%0.32623%0.231SC..THydrogen-bonded Turntrans-74.9-8.917672.5-24000112.7Y84 S88 I108Y84-D86 WeakPolarHBondContact CB-OD1 3.33Å; Y84-D86 PolarHBondContact O-N 2.92Å; D86-S88 VanDerWaalsContact CG-OG 3.29Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.06Å; D86-S88 PolarHBondContact OD1-OG 2.83Å; D86-S88 PolarHBondContact OD2-OG 2.88Å; D86-I108 HydrophobicContact CB-CD1 4.48Å; D86-I108 WeakPolarHBondContact O-CD1 3.44Å; D86-I108 VanDerWaalsContact O-CG1 3.26Å; D86-I108 WeakPolarHBondContact O-CG1 3.12Å
87G96.2Very high97.5Very high52 Ų5241.1 Ų41.154%0.53623%0.233SC..SBendtrans91.40.1-175.100000114.2Y84 P85Y84-G87 PolarHBondContact O-N 3.45Å; P85-G87 PolarHBondContact O-N 3.27Å
88S97.5Very high97.4Very high2 Ų241.6 Ų41.61%0.01424%0.237CC..  trans-66.9153167.9-60.10000110.2Y84 D86 Y105 T106 I108Y84-S88 WeakPolarHBondContact CB-O 3.45Å; Y84-S88 WeakPolarHBondContact CD2-O 3.44Å; Y84-S88 PolarHBondContact N-O 3.33Å; D86-S88 VanDerWaalsContact CG-OG 3.29Å; D86-S88 WeakPolarHBondContact OD1-CB 3.34Å; D86-S88 PolarHBondContact OD1-N 3.06Å; D86-S88 PolarHBondContact OD1-OG 2.83Å; D86-S88 PolarHBondContact OD2-OG 2.88Å; S88-Y105 VanDerWaalsContact CB-OH 3.26Å; S88-Y105 WeakPolarHBondContact CB-OH 3.18Å; S88-T106 CarbonylContact C-O 3.5Å; S88-T106 VanDerWaalsContact CA-O 3.25Å; S88-T106 WeakPolarHBondContact CA-O 3.37Å; S88-T106 WeakPolarHBondContact CB-O 3.26Å; S88-I108 PolarHBondContact OG-N 2.88Å; S88-I108 VanDerWaalsContact OG-N 3.09Å
89I98.5Very high97.3Very high45 Ų4540.6 Ų40.623%0.23123%0.225CC..EExtended strand (participates in β ladder)trans-134.3132.3-176.2-52176.9000109T81 F82 Y83 E91 Y105 T106T81-I89 HydrophobicContact CG2-CG2 3.75Å; F82-I89 CarbonylContact O-C 3.59Å; F82-I89 WeakPolarHBondContact O-CA 3.34Å; Y83-I89 HydrophobicContact CD1-CD1 4.08Å; Y83-I89 HydrophobicContact CD1-CG1 4.01Å; Y83-I89 HydrophobicContact CD1-CG2 4.12Å; Y83-I89 HydrophobicContact CE1-CD1 4.16Å; Y83-I89 HydrophobicContact CE1-CG1 4.48Å; Y83-I89 HydrophobicContact CE1-CG2 4.13Å; I89-E91 HydrophobicContact CG2-CG 4.07Å; I89-Y105 CarbonylContact O-C 3.6Å; I89-Y105 WeakPolarHBondContact O-CA 3.39Å; I89-T106 PolarHBondContact N-O 2.95Å; I89-T106 PolarHBondContact O-N 3.33Å
90Y98.4Very high97.2Very high0 Ų040.8 Ų40.80%022%0.222CC..EExtended strand (participates in β ladder)trans-112.1130.1165.9174.8-94.7000110.2T81 F82 N93 W94 R99 K104 Y105 W117T81-Y90 CarbonylContact C-O 3.51Å; T81-Y90 WeakPolarHBondContact CA-O 3.24Å; F82-Y90 PolarHBondContact N-O 3.4Å; F82-Y90 PolarHBondContact O-N 3.49Å; Y90-N93 PolarHBondContact OH-N 3.04Å; Y90-N93 PolarHBondContact OH-O 2.78Å; Y90-W94 AromaticContact CD1-CE2 3.76Å; Y90-W94 HydrophobicContact CD1-CH2 4.35Å; Y90-W94 AromaticContact CD1-CZ2 3.42Å; Y90-W94 HydrophobicContact CD1-CZ2 3.42Å; Y90-W94 VanDerWaalsContact CD1-CZ2 3.42Å; Y90-W94 AromaticContact CD1-NE1 3.82Å; Y90-W94 HydrophobicContact CE1-CD2 4.48Å; Y90-W94 AromaticContact CE1-CE2 3.63Å; Y90-W94 AromaticContact CE1-CZ2 3.74Å; Y90-W94 HydrophobicContact CE1-CZ2 3.74Å; Y90-W94 AromaticContact CE1-NE1 3.51Å; Y90-W94 HydrophobicContact CG-CZ2 4.46Å; Y90-R99 HydrophobicContact CD1-CG 3.91Å; Y90-R99 HydrophobicContact CD2-CG 4.28Å; Y90-R99 HydrophobicContact CE1-CB 4.2Å; Y90-R99 HydrophobicContact CE1-CG 3.62Å; Y90-R99 HydrophobicContact CE2-CB 4.2Å; Y90-R99 HydrophobicContact CE2-CG 4.01Å; Y90-R99 HydrophobicContact CG-CG 4.21Å; Y90-K104 CarbonylContact C-O 3.37Å; Y90-K104 WeakPolarHBondContact CA-O 3.32Å; Y90-Y105 HydrophobicContact CD2-CD2 4.08Å; Y90-Y105 HydrophobicContact CG-CD2 4.47Å; Y90-W117 HydrophobicContact CD2-CZ2 4.25Å; Y90-W117 AromaticContact CE2-CD1 3.91Å; Y90-W117 AromaticContact CE2-CD2 3.96Å; Y90-W117 HydrophobicContact CE2-CD2 3.96Å; Y90-W117 AromaticContact CE2-CE2 3.68Å; Y90-W117 HydrophobicContact CE2-CG 4.11Å; Y90-W117 HydrophobicContact CE2-CZ2 4.16Å; Y90-W117 AromaticContact CE2-NE1 3.64Å
91E98.7Very high97.1Very high82 Ų8241.4 Ų41.438%0.38323%0.228SC..EExtended strand (participates in β ladder)trans-123.6115.5175.1-65.7169.4-15.700107.7T81 I89 G103 K104T81-E91 HydrophobicContact CG2-CG 3.69Å; I89-E91 HydrophobicContact CG2-CG 4.07Å; E91-G103 CarbonylContact O-C 3.45Å; E91-G103 VanDerWaalsContact O-CA 3.23Å; E91-G103 WeakPolarHBondContact O-CA 3.49Å; E91-K104 PolarHBondContact N-O 3.47Å; E91-K104 PolarHBondContact O-N 3.28Å
92G98.4Very high97.1Very high5 Ų545.1 Ų45.15%0.05224%0.243CC..EExtended strand (participates in β ladder)trans168.7-161178.900000115.4G80 W94G80-G92 PolarHBondContact N-O 3.41Å; G80-G92 PolarHBondContact O-N 3.47Å; G92-W94 VanDerWaalsContact O-CD1 3.27Å
93N98.4Very high97.2Very high51 Ų5145.4 Ų45.427%0.27325%0.246SC..EExtended strand (participates in β ladder)trans-82.1143-178.2-83.2-44.7000112.5G78 Q79 Y90 Y100 Q102G78-N93 CarbonylContact O-C 3.24Å; G78-N93 VanDerWaalsContact O-CA 3.31Å; G78-N93 WeakPolarHBondContact O-CA 3.41Å; Q79-N93 PolarHBondContact NE2-ND2 3.17Å; Q79-N93 PolarHBondContact NE2-OD1 3.21Å; Y90-N93 PolarHBondContact OH-N 3.04Å; Y90-N93 PolarHBondContact OH-O 2.78Å; N93-Y100 CarbonylContact C-O 3.45Å; N93-Y100 WeakPolarHBondContact CB-O 3.23Å; N93-Y100 PolarHBondContact O-N 3.11Å; N93-Q102 PolarHBondContact N-O 2.85Å; N93-Q102 VanDerWaalsContact N-O 3.08Å
94W98.1Very high97.2Very high7 Ų745.2 Ų45.23%0.02725%0.247CC..EExtended strand (participates in β ladder)trans-123.9141.3176.3-6281.2000109.1Y67 R76 Q77 G78 G80 F82 Y90 G92 G97 L98 R99Y67-W94 HydrophobicContact CD2-CZ2 4.29Å; Y67-W94 AromaticContact CE2-CD1 3.98Å; Y67-W94 HydrophobicContact CE2-CD2 4.15Å; Y67-W94 AromaticContact CE2-CE2 3.67Å; Y67-W94 HydrophobicContact CE2-CG 4.34Å; Y67-W94 HydrophobicContact CE2-CZ2 4.06Å; Y67-W94 AromaticContact CE2-NE1 3.58Å; R76-W94 HydrophobicContact CB-CB 4.15Å; R76-W94 HydrophobicContact CB-CD2 4.12Å; R76-W94 HydrophobicContact CB-CE3 3.98Å; R76-W94 HydrophobicContact CB-CG 4.2Å; R76-W94 VanDerWaalsContact CZ-CZ3 3.47Å; Q77-W94 CarbonylContact C-O 3.56Å; G78-W94 PolarHBondContact N-O 3.3Å; G78-W94 PolarHBondContact O-N 2.8Å; G80-W94 PolarHBondContact O-NE1 3.06Å; F82-W94 HydrophobicContact CB-CH2 4.12Å; F82-W94 HydrophobicContact CB-CZ2 3.71Å; F82-W94 HydrophobicContact CD2-CH2 4.18Å; F82-W94 HydrophobicContact CD2-CZ2 4.44Å; F82-W94 HydrophobicContact CG-CH2 4.36Å; F82-W94 HydrophobicContact CG-CZ2 4.42Å; Y90-W94 AromaticContact CD1-CE2 3.76Å; Y90-W94 HydrophobicContact CD1-CH2 4.35Å; Y90-W94 AromaticContact CD1-CZ2 3.42Å; Y90-W94 HydrophobicContact CD1-CZ2 3.42Å; Y90-W94 VanDerWaalsContact CD1-CZ2 3.42Å; Y90-W94 AromaticContact CD1-NE1 3.82Å; Y90-W94 HydrophobicContact CE1-CD2 4.48Å; Y90-W94 AromaticContact CE1-CE2 3.63Å; Y90-W94 AromaticContact CE1-CZ2 3.74Å; Y90-W94 HydrophobicContact CE1-CZ2 3.74Å; Y90-W94 AromaticContact CE1-NE1 3.51Å; Y90-W94 HydrophobicContact CG-CZ2 4.46Å; G92-W94 VanDerWaalsContact O-CD1 3.27Å; W94-G97 WeakPolarHBondContact CZ3-O 3.27Å; W94-L98 CarbonylContact C-O 3.56Å; W94-L98 VanDerWaalsContact CA-O 3.24Å; W94-L98 WeakPolarHBondContact CA-O 3.2Å; W94-R99 HydrophobicContact CD2-CG 4.45Å; W94-R99 HydrophobicContact CE3-CG 4.14Å; W94-R99 HydrophobicContact CH2-CG 3.62Å; W94-R99 HydrophobicContact CZ2-CG 3.93Å; W94-R99 HydrophobicContact CZ3-CG 3.73Å
95S97.5Very high97.3Very high43 Ų4344.6 Ų44.630%0.30125%0.245SC..EExtended strand (participates in β ladder)trans-140.7124.8172.9-171.70000108.2Q77 G97 L98Q77-S95 VanDerWaalsContact OE1-CA 3.29Å; S95-G97 PolarHBondContact O-N 2.84Å; S95-L98 PolarHBondContact N-O 2.9Å; S95-L98 WeakPolarHBondContact O-CB 3.31Å; S95-L98 PolarHBondContact O-N 2.85Å
96E95.2Very high97.4Very high104 Ų10442.8 Ų42.849%0.48623%0.233SC..THydrogen-bonded Turntrans53.938.3178.9-63-62.7133.500113.5K75 L98K75-E96 VanDerWaalsContact CD-OE2 3.3Å; K75-E96 WeakPolarHBondContact CD-OE2 3.21Å; K75-E96 IonicContact NZ-OE2 2.76Å; K75-E96 PolarHBondContact NZ-OE2 3.18Å; E96-L98 PolarHBondContact O-N 2.86Å
97G94Very high97.5Very high9 Ų941.1 Ų41.19%0.09322%0.222CC..THydrogen-bonded Turntrans81.7-7.9-17800000114.7R76 W94 S95R76-G97 PolarHBondContact NE-O 3.13Å; R76-G97 PolarHBondContact NH2-O 2.85Å; R76-G97 WeakPolarHBondContact O-CA 3.31Å; R76-G97 PolarHBondContact O-N 3.25Å; W94-G97 WeakPolarHBondContact CZ3-O 3.27Å; S95-G97 PolarHBondContact O-N 2.84Å
98L95.4Very high97.5Very high54 Ų5444.4 Ų44.428%0.28323%0.226SC..EExtended strand (participates in β ladder)trans-103.5146.4-176-55.1177.1000112W94 S95 E96 Y100 D119 H120W94-L98 CarbonylContact C-O 3.56Å; W94-L98 VanDerWaalsContact CA-O 3.24Å; W94-L98 WeakPolarHBondContact CA-O 3.2Å; S95-L98 PolarHBondContact N-O 2.9Å; S95-L98 WeakPolarHBondContact O-CB 3.31Å; S95-L98 PolarHBondContact O-N 2.85Å; E96-L98 PolarHBondContact O-N 2.86Å; L98-Y100 PolarHBondContact O-N 2.92Å; L98-D119 HydrophobicContact CD1-CB 4.36Å; L98-H120 VanDerWaalsContact CA-CE1 3.5Å; L98-H120 WeakPolarHBondContact CA-CE1 2.91Å; L98-H120 WeakPolarHBondContact CD2-NE2 3.4Å
99R95.9Very high97.5Very high6 Ų648.9 Ų48.92%0.02325%0.249CC..EExtended strand (participates in β ladder)trans-65.2124.2170-64.6170-85.7165.9-2.5108.5Y90 W94 W117 D119 H120Y90-R99 HydrophobicContact CD1-CG 3.91Å; Y90-R99 HydrophobicContact CD2-CG 4.28Å; Y90-R99 HydrophobicContact CE1-CB 4.2Å; Y90-R99 HydrophobicContact CE1-CG 3.62Å; Y90-R99 HydrophobicContact CE2-CB 4.2Å; Y90-R99 HydrophobicContact CE2-CG 4.01Å; Y90-R99 HydrophobicContact CG-CG 4.21Å; W94-R99 HydrophobicContact CD2-CG 4.45Å; W94-R99 HydrophobicContact CE3-CG 4.14Å; W94-R99 HydrophobicContact CH2-CG 3.62Å; W94-R99 HydrophobicContact CZ2-CG 3.93Å; W94-R99 HydrophobicContact CZ3-CG 3.73Å; R99-W117 HydrophobicContact CB-CB 4.37Å; R99-W117 HydrophobicContact CB-CE3 4.49Å; R99-D119 PolarHBondContact O-N 2.88Å; R99-H120 PolarHBondContact N-CE1 3.32Å; R99-H120 PolarHBondContact N-ND1 3.28Å; R99-H120 VanDerWaalsContact N-ND1 3.17Å; R99-H120 PolarHBondContact NE-ND1 2.68Å; R99-H120 PolarHBondContact O-N 2.78Å
100Y96.4Very high97.5Very high119 Ų11948.4 Ų48.447%0.46726%0.256SS..EExtended strand (participates in β ladder)trans-146.5150.8-172.5-173.3-90.6000111.1N93 L98 W117 R118N93-Y100 CarbonylContact C-O 3.45Å; N93-Y100 WeakPolarHBondContact CB-O 3.23Å; N93-Y100 PolarHBondContact O-N 3.11Å; L98-Y100 PolarHBondContact O-N 2.92Å; Y100-W117 CarbonylContact C-O 3.53Å; Y100-W117 WeakPolarHBondContact CA-O 3.22Å; Y100-R118 HydrophobicContact CD2-CG 4.35Å; Y100-R118 HydrophobicContact CE2-CG 4.15Å
101G98Very high97.5Very high20 Ų2048.8 Ų48.821%0.20626%0.258CS..EExtended strand (participates in β ladder)trans67.1-148176.800000112.4E116 W117G101-E116 CarbonylContact O-C 3.44Å; G101-E116 WeakPolarHBondContact O-CA 3.24Å; G101-W117 PolarHBondContact N-O 3.43Å; G101-W117 PolarHBondContact O-N 2.71Å
102Q98.6Very high97.5Very high108 Ų10846.5 Ų46.551%0.50525%0.249SC..EExtended strand (participates in β ladder)trans-74.4137.6-177.7-63-62.1-24.600112.6N93 G115N93-Q102 PolarHBondContact N-O 2.85Å; N93-Q102 VanDerWaalsContact N-O 3.08Å; Q102-G115 WeakPolarHBondContact CA-O 3.43Å; Q102-G115 VanDerWaalsContact OE1-C 3.25Å; Q102-G115 PolarHBondContact OE1-O 3.38Å
103G98.5Very high97.5Very high8 Ų846.2 Ų46.28%0.08225%0.247CC..EExtended strand (participates in β ladder)trans-168.4160.7172.100000113.4E91 G115 W117E91-G103 CarbonylContact O-C 3.45Å; E91-G103 VanDerWaalsContact O-CA 3.23Å; E91-G103 WeakPolarHBondContact O-CA 3.49Å; G103-G115 PolarHBondContact N-O 2.98Å; G103-G115 PolarHBondContact O-N 3Å; G103-W117 PolarHBondContact O-NE1 2.83Å; G103-W117 VanDerWaalsContact O-NE1 3.1Å
104K98.7Very high97.5Very high76 Ų7649.7 Ų49.733%0.3326%0.261SS..EExtended strand (participates in β ladder)trans-113.6130.4176.7-177.6-178.1173.2-169.50109.8Y90 E91 Y113 E114Y90-K104 CarbonylContact C-O 3.37Å; Y90-K104 WeakPolarHBondContact CA-O 3.32Å; E91-K104 PolarHBondContact N-O 3.47Å; E91-K104 PolarHBondContact O-N 3.28Å; K104-Y113 CarbonylContact C-O 3.45Å; K104-Y113 VanDerWaalsContact CA-O 3.24Å; K104-Y113 WeakPolarHBondContact CA-O 3.5Å; K104-E114 HydrophobicContact CB-CG 4.45Å; K104-E114 HydrophobicContact CG-CB 4.48Å
105Y98.5Very high97.5Very high9 Ų949.5 Ų49.54%0.03526%0.262CS..EExtended strand (participates in β ladder)trans-115.4124.4171.7-167-74.3000109Y84 S88 I89 Y90 Y107 T112 Y113 W117Y84-Y105 HydrophobicContact CD2-CE2 4.2Å; Y84-Y105 HydrophobicContact CE2-CD2 4.43Å; Y84-Y105 AromaticContact CE2-CE2 3.52Å; Y84-Y105 HydrophobicContact CE2-CE2 3.52Å; Y84-Y105 AromaticContact CZ-CE2 3.98Å; S88-Y105 VanDerWaalsContact CB-OH 3.26Å; S88-Y105 WeakPolarHBondContact CB-OH 3.18Å; I89-Y105 CarbonylContact O-C 3.6Å; I89-Y105 WeakPolarHBondContact O-CA 3.39Å; Y90-Y105 HydrophobicContact CD2-CD2 4.08Å; Y90-Y105 HydrophobicContact CG-CD2 4.47Å; Y105-Y107 AromaticContact CD1-CD1 3.68Å; Y105-Y107 HydrophobicContact CD1-CD1 3.68Å; Y105-Y107 AromaticContact CD1-CD2 3.77Å; Y105-Y107 HydrophobicContact CD1-CD2 3.77Å; Y105-Y107 AromaticContact CD1-CE1 3.59Å; Y105-Y107 HydrophobicContact CD1-CE1 3.59Å; Y105-Y107 AromaticContact CD1-CE2 3.69Å; Y105-Y107 HydrophobicContact CD1-CE2 3.69Å; Y105-Y107 AromaticContact CD1-CG 3.75Å; Y105-Y107 HydrophobicContact CD1-CG 3.75Å; Y105-Y107 AromaticContact CD1-CZ 3.59Å; Y105-Y107 AromaticContact CE1-CD1 3.3Å; Y105-Y107 HydrophobicContact CE1-CD1 3.3Å; Y105-Y107 HydrophobicContact CE1-CD2 4.23Å; Y105-Y107 AromaticContact CE1-CE1 3.43Å; Y105-Y107 HydrophobicContact CE1-CE1 3.43Å; Y105-Y107 VanDerWaalsContact CE1-CE1 3.43Å; Y105-Y107 HydrophobicContact CE1-CE2 4.35Å; Y105-Y107 AromaticContact CE1-CG 3.73Å; Y105-Y107 HydrophobicContact CE1-CG 3.73Å; Y105-Y107 AromaticContact CE1-CZ 3.96Å; Y105-T112 CarbonylContact O-C 3.54Å; Y105-T112 VanDerWaalsContact O-CA 3.24Å; Y105-T112 WeakPolarHBondContact O-CA 3.43Å; Y105-Y113 PolarHBondContact N-O 2.92Å; Y105-Y113 PolarHBondContact O-N 2.79Å; Y105-W117 HydrophobicContact CD2-CH2 4Å; Y105-W117 HydrophobicContact CD2-CZ2 4.36Å; Y105-W117 HydrophobicContact CG-CH2 4.16Å; Y105-W117 HydrophobicContact CG-CZ2 4.29Å
106T98.6Very high97.6Very high38 Ų3850.8 Ų50.823%0.23326%0.263CS..EExtended strand (participates in β ladder)trans-105.7114.9173.2-53.10000107.8S88 I89 T112S88-T106 CarbonylContact C-O 3.5Å; S88-T106 VanDerWaalsContact CA-O 3.25Å; S88-T106 WeakPolarHBondContact CA-O 3.37Å; S88-T106 WeakPolarHBondContact CB-O 3.26Å; I89-T106 PolarHBondContact N-O 2.95Å; I89-T106 PolarHBondContact O-N 3.33Å; T106-T112 HydrophobicContact CG2-CG2 4.08Å
107Y97.7Very high97.7Very high26 Ų2646.3 Ų46.310%0.10224%0.242CC..  trans-79.1156.5179.8-64.8-88.1000110.6M1 Y105 N109 G110 D111 R122 Y128M1-Y107 HydrophobicContact CE-CD1 4.37Å; M1-Y107 HydrophobicContact CE-CE1 3.94Å; M1-Y107 HydrophobicContact CG-CE1 4.44Å; M1-Y107 HydrophobicContact SD-CE1 3.8Å; Y105-Y107 AromaticContact CD1-CD1 3.68Å; Y105-Y107 HydrophobicContact CD1-CD1 3.68Å; Y105-Y107 AromaticContact CD1-CD2 3.77Å; Y105-Y107 HydrophobicContact CD1-CD2 3.77Å; Y105-Y107 AromaticContact CD1-CE1 3.59Å; Y105-Y107 HydrophobicContact CD1-CE1 3.59Å; Y105-Y107 AromaticContact CD1-CE2 3.69Å; Y105-Y107 HydrophobicContact CD1-CE2 3.69Å; Y105-Y107 AromaticContact CD1-CG 3.75Å; Y105-Y107 HydrophobicContact CD1-CG 3.75Å; Y105-Y107 AromaticContact CD1-CZ 3.59Å; Y105-Y107 AromaticContact CE1-CD1 3.3Å; Y105-Y107 HydrophobicContact CE1-CD1 3.3Å; Y105-Y107 HydrophobicContact CE1-CD2 4.23Å; Y105-Y107 AromaticContact CE1-CE1 3.43Å; Y105-Y107 HydrophobicContact CE1-CE1 3.43Å; Y105-Y107 VanDerWaalsContact CE1-CE1 3.43Å; Y105-Y107 HydrophobicContact CE1-CE2 4.35Å; Y105-Y107 AromaticContact CE1-CG 3.73Å; Y105-Y107 HydrophobicContact CE1-CG 3.73Å; Y105-Y107 AromaticContact CE1-CZ 3.96Å; Y107-N109 WeakPolarHBondContact CB-OD1 3.39Å; Y107-N109 PolarHBondContact O-N 3.07Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; Y107-G110 WeakPolarHBondContact O-CA 3.19Å; Y107-G110 PolarHBondContact O-N 3.39Å; Y107-D111 HydrophobicContact CD2-CB 3.86Å; Y107-D111 WeakPolarHBondContact CD2-O 3.4Å; Y107-D111 HydrophobicContact CG-CB 4.38Å; Y107-D111 PolarHBondContact N-O 2.85Å; Y107-R122 PolarHBondContact OH-NH1 2.95Å; Y107-Y128 HydrophobicContact CD2-CE2 4.24Å; Y107-Y128 HydrophobicContact CE2-CD2 4.36Å; Y107-Y128 AromaticContact CE2-CE2 3.56Å; Y107-Y128 HydrophobicContact CE2-CE2 3.56Å
108I97.2Very high97.9Very high120 Ų12051.4 Ų51.462%0.61526%0.258SS*.THydrogen-bonded Turntrans-53.6-32.1175.2-167.4-176.4000113.7D86 S88 G110D86-I108 HydrophobicContact CB-CD1 4.48Å; D86-I108 WeakPolarHBondContact O-CD1 3.44Å; D86-I108 VanDerWaalsContact O-CG1 3.26Å; D86-I108 WeakPolarHBondContact O-CG1 3.12Å; S88-I108 PolarHBondContact OG-N 2.88Å; S88-I108 VanDerWaalsContact OG-N 3.09Å; I108-G110 PolarHBondContact O-N 2.88Å
109N96.9Very high97.9Very high96 Ų9653 Ų5351%0.51327%0.267SS..THydrogen-bonded Turntrans-781.8177.371.3-12.2000113.2Y107 D111Y107-N109 WeakPolarHBondContact CB-OD1 3.39Å; Y107-N109 PolarHBondContact O-N 3.07Å; Y107-N109 VanDerWaalsContact O-N 3.13Å; N109-D111 VanDerWaalsContact C-N 3.29Å; N109-D111 PolarHBondContact ND2-OD2 2.98Å; N109-D111 WeakPolarHBondContact OD1-CB 3.24Å; N109-D111 VanDerWaalsContact OD1-CG 3.29Å; N109-D111 PolarHBondContact OD1-N 2.76Å
110G98Very high97.8Very high35 Ų3553.8 Ų53.836%0.36127%0.271SS..SBendtrans85.3-8.8-17700000114.4Y107 I108 A131Y107-G110 WeakPolarHBondContact O-CA 3.19Å; Y107-G110 PolarHBondContact O-N 3.39Å; I108-G110 PolarHBondContact O-N 2.88Å; G110-A131 WeakPolarHBondContact O-CB 3.22Å
111D98.4Very high97.8Very high9 Ų950.8 Ų50.85%0.04826%0.263CS..  trans-58.1153.7174.7-68.8-10.3000109.4Y107 N109 Y128 T129 F130 A131Y107-D111 HydrophobicContact CD2-CB 3.86Å; Y107-D111 WeakPolarHBondContact CD2-O 3.4Å; Y107-D111 HydrophobicContact CG-CB 4.38Å; Y107-D111 PolarHBondContact N-O 2.85Å; N109-D111 VanDerWaalsContact C-N 3.29Å; N109-D111 PolarHBondContact ND2-OD2 2.98Å; N109-D111 WeakPolarHBondContact OD1-CB 3.24Å; N109-D111 VanDerWaalsContact OD1-CG 3.29Å; N109-D111 PolarHBondContact OD1-N 2.76Å; D111-Y128 HydrophobicContact CB-CE1 3.91Å; D111-Y128 VanDerWaalsContact CB-OH 3.27Å; D111-Y128 WeakPolarHBondContact CB-OH 3.41Å; D111-Y128 PolarHBondContact OD2-OH 3.37Å; D111-T129 WeakPolarHBondContact CA-O 3.5Å; D111-F130 VanDerWaalsContact OD1-CA 3.31Å; D111-F130 WeakPolarHBondContact OD1-CA 3.17Å; D111-A131 PolarHBondContact OD1-N 3.02Å
112T98.6Very high97.8Very high33 Ų3351.6 Ų51.620%0.20226%0.26CS..EExtended strand (participates in β ladder)trans-131.8144.8177.352.10000110.9Y105 T106 Y128 T129Y105-T112 CarbonylContact O-C 3.54Å; Y105-T112 VanDerWaalsContact O-CA 3.24Å; Y105-T112 WeakPolarHBondContact O-CA 3.43Å; T106-T112 HydrophobicContact CG2-CG2 4.08Å; T112-Y128 CarbonylContact O-C 3.57Å; T112-Y128 VanDerWaalsContact O-CA 3.27Å; T112-Y128 WeakPolarHBondContact O-CA 3.26Å; T112-T129 PolarHBondContact N-O 2.77Å; T112-T129 PolarHBondContact O-N 3.17Å; T112-T129 WeakPolarHBondContact OG1-CB 3.3Å
113Y98.6Very high97.8Very high0 Ų048.5 Ų48.50%025%0.245CC..EExtended strand (participates in β ladder)trans-119.5130.5162.7172.9-92.6000108.8K104 Y105 E116 W117 R122 H123 T127 Y128 W141K104-Y113 CarbonylContact C-O 3.45Å; K104-Y113 VanDerWaalsContact CA-O 3.24Å; K104-Y113 WeakPolarHBondContact CA-O 3.5Å; Y105-Y113 PolarHBondContact N-O 2.92Å; Y105-Y113 PolarHBondContact O-N 2.79Å; Y113-E116 PolarHBondContact OH-N 2.65Å; Y113-E116 PolarHBondContact OH-O 3Å; Y113-W117 AromaticContact CD1-CE2 3.59Å; Y113-W117 HydrophobicContact CD1-CH2 4.25Å; Y113-W117 AromaticContact CD1-CZ2 3.33Å; Y113-W117 HydrophobicContact CD1-CZ2 3.33Å; Y113-W117 AromaticContact CD1-NE1 3.65Å; Y113-W117 HydrophobicContact CE1-CD2 4.36Å; Y113-W117 AromaticContact CE1-CE2 3.58Å; Y113-W117 AromaticContact CE1-CZ2 3.79Å; Y113-W117 HydrophobicContact CE1-CZ2 3.79Å; Y113-W117 AromaticContact CE1-NE1 3.44Å; Y113-W117 HydrophobicContact CG-CZ2 4.31Å; Y113-R122 HydrophobicContact CD1-CG 3.77Å; Y113-R122 VanDerWaalsContact CD2-CD 3.47Å; Y113-R122 HydrophobicContact CD2-CG 4.03Å; Y113-R122 HydrophobicContact CE1-CB 4.03Å; Y113-R122 HydrophobicContact CE1-CG 3.63Å; Y113-R122 HydrophobicContact CE2-CB 3.98Å; Y113-R122 HydrophobicContact CE2-CG 3.91Å; Y113-R122 HydrophobicContact CG-CG 3.92Å; Y113-H123 PolarHBondContact OH-O 3.08Å; Y113-T127 CarbonylContact C-O 3.52Å; Y113-T127 WeakPolarHBondContact CA-O 2.99Å; Y113-Y128 HydrophobicContact CD2-CD2 4.48Å; Y113-W141 HydrophobicContact CD2-CZ2 4.04Å; Y113-W141 AromaticContact CE2-CD1 3.87Å; Y113-W141 AromaticContact CE2-CD2 3.88Å; Y113-W141 HydrophobicContact CE2-CD2 3.88Å; Y113-W141 AromaticContact CE2-CE2 3.56Å; Y113-W141 HydrophobicContact CE2-CG 4.07Å; Y113-W141 AromaticContact CE2-CZ2 3.96Å; Y113-W141 HydrophobicContact CE2-CZ2 3.96Å; Y113-W141 AromaticContact CE2-NE1 3.58Å
114E98.8Very high97.7Very high123 Ų12348.9 Ų48.958%0.57525%0.249SC*.EExtended strand (participates in β ladder)trans-129.6121173.6-174.5174.4178.900109.1K104 G126 T127K104-E114 HydrophobicContact CB-CG 4.45Å; K104-E114 HydrophobicContact CG-CB 4.48Å; E114-G126 CarbonylContact O-C 3.52Å; E114-G126 VanDerWaalsContact O-CA 3.24Å; E114-G126 WeakPolarHBondContact O-CA 3.2Å; E114-T127 PolarHBondContact N-O 3.29Å; E114-T127 PolarHBondContact O-N 3.23Å
115G98.5Very high97.7Very high4 Ų453.2 Ų53.24%0.04126%0.263CS..EExtended strand (participates in β ladder)trans162.5-156.7-177.700000113.4Q102 G103 W117 R125Q102-G115 WeakPolarHBondContact CA-O 3.43Å; Q102-G115 VanDerWaalsContact OE1-C 3.25Å; Q102-G115 PolarHBondContact OE1-O 3.38Å; G103-G115 PolarHBondContact N-O 2.98Å; G103-G115 PolarHBondContact O-N 3Å; G115-W117 VanDerWaalsContact O-CD1 3.25Å; G115-R125 WeakPolarHBondContact CA-O 3.44Å
116E98.6Very high97.7Very high70 Ų7053 Ų5333%0.32726%0.264SS..EExtended strand (participates in β ladder)trans-79.6142.7-177-65.4171.8-111.200112.9G101 Y113 H123 R125G101-E116 CarbonylContact O-C 3.44Å; G101-E116 WeakPolarHBondContact O-CA 3.24Å; Y113-E116 PolarHBondContact OH-N 2.65Å; Y113-E116 PolarHBondContact OH-O 3Å; E116-H123 CarbonylContact C-O 3.49Å; E116-H123 WeakPolarHBondContact CB-O 3.47Å; E116-H123 CarbonylContact O-C 3.58Å; E116-H123 PolarHBondContact O-N 3.02Å; E116-R125 PolarHBondContact N-O 3.33Å; E116-R125 PolarHBondContact OE1-N 2.75Å
117W98.3Very high97.7Very high9 Ų953.1 Ų53.13%0.03426%0.264CS..EExtended strand (participates in β ladder)trans-123.9146.3175.9-6681.2000109.2Y90 R99 Y100 G101 G103 Y105 Y113 G115 H120 L121 R122Y90-W117 HydrophobicContact CD2-CZ2 4.25Å; Y90-W117 AromaticContact CE2-CD1 3.91Å; Y90-W117 AromaticContact CE2-CD2 3.96Å; Y90-W117 HydrophobicContact CE2-CD2 3.96Å; Y90-W117 AromaticContact CE2-CE2 3.68Å; Y90-W117 HydrophobicContact CE2-CG 4.11Å; Y90-W117 HydrophobicContact CE2-CZ2 4.16Å; Y90-W117 AromaticContact CE2-NE1 3.64Å; R99-W117 HydrophobicContact CB-CB 4.37Å; R99-W117 HydrophobicContact CB-CE3 4.49Å; Y100-W117 CarbonylContact C-O 3.53Å; Y100-W117 WeakPolarHBondContact CA-O 3.22Å; G101-W117 PolarHBondContact N-O 3.43Å; G101-W117 PolarHBondContact O-N 2.71Å; G103-W117 PolarHBondContact O-NE1 2.83Å; G103-W117 VanDerWaalsContact O-NE1 3.1Å; Y105-W117 HydrophobicContact CD2-CH2 4Å; Y105-W117 HydrophobicContact CD2-CZ2 4.36Å; Y105-W117 HydrophobicContact CG-CH2 4.16Å; Y105-W117 HydrophobicContact CG-CZ2 4.29Å; Y113-W117 AromaticContact CD1-CE2 3.59Å; Y113-W117 HydrophobicContact CD1-CH2 4.25Å; Y113-W117 AromaticContact CD1-CZ2 3.33Å; Y113-W117 HydrophobicContact CD1-CZ2 3.33Å; Y113-W117 AromaticContact CD1-NE1 3.65Å; Y113-W117 HydrophobicContact CE1-CD2 4.36Å; Y113-W117 AromaticContact CE1-CE2 3.58Å; Y113-W117 AromaticContact CE1-CZ2 3.79Å; Y113-W117 HydrophobicContact CE1-CZ2 3.79Å; Y113-W117 AromaticContact CE1-NE1 3.44Å; Y113-W117 HydrophobicContact CG-CZ2 4.31Å; G115-W117 VanDerWaalsContact O-CD1 3.25Å; W117-H120 VanDerWaalsContact CE3-O 3.3Å; W117-H120 WeakPolarHBondContact CZ3-O 3.45Å; W117-L121 WeakPolarHBondContact CA-O 3.47Å; W117-R122 HydrophobicContact CE3-CG 4.33Å; W117-R122 HydrophobicContact CH2-CG 3.77Å; W117-R122 HydrophobicContact CZ2-CG 4.08Å; W117-R122 HydrophobicContact CZ3-CG 3.9Å
118R97.4Very high97.8Very high116 Ų11652.5 Ų52.544%0.43826%0.262SS..EExtended strand (participates in β ladder)trans-147.6123.1170.2-170.2177.370.6172.35.9108.4Y100 H120 L121 H123Y100-R118 HydrophobicContact CD2-CG 4.35Å; Y100-R118 HydrophobicContact CE2-CG 4.15Å; R118-H120 VanDerWaalsContact C-N 3.34Å; R118-H120 PolarHBondContact O-N 3.37Å; R118-L121 PolarHBondContact N-O 2.85Å; R118-L121 PolarHBondContact O-N 3.41Å; R118-H123 HydrophobicContact CB-CB 3.86Å
119D95.3Very high97.8Very high88 Ų8848 Ų4847%0.47124%0.24SC..THydrogen-bonded Turntrans5153.9178.5-45.2-37.6000111.3L98 R99 L121L98-D119 HydrophobicContact CD1-CB 4.36Å; R99-D119 PolarHBondContact O-N 2.88Å; D119-L121 PolarHBondContact O-N 2.76Å
120H94.8Very high97.9Very high22 Ų2246.9 Ų46.910%0.10223%0.231CC..THydrogen-bonded Turntrans67.5-7.5-177-65.7-38.8000117.4E5 L98 R99 W117 R118E5-H120 IonicContact OE1-NE2 2.72Å; L98-H120 VanDerWaalsContact CA-CE1 3.5Å; L98-H120 WeakPolarHBondContact CA-CE1 2.91Å; L98-H120 WeakPolarHBondContact CD2-NE2 3.4Å; R99-H120 PolarHBondContact N-CE1 3.32Å; R99-H120 PolarHBondContact N-ND1 3.28Å; R99-H120 VanDerWaalsContact N-ND1 3.17Å; R99-H120 PolarHBondContact NE-ND1 2.68Å; R99-H120 PolarHBondContact O-N 2.78Å; W117-H120 VanDerWaalsContact CE3-O 3.3Å; W117-H120 WeakPolarHBondContact CZ3-O 3.45Å; R118-H120 VanDerWaalsContact C-N 3.34Å; R118-H120 PolarHBondContact O-N 3.37Å
121L96.3Very high97.8Very high57 Ų5746.3 Ų46.330%0.29822%0.223SC..EExtended strand (participates in β ladder)trans-102.8141.1-176.9-62.7173.5000111W117 R118 D119 H123 A143W117-L121 WeakPolarHBondContact CA-O 3.47Å; R118-L121 PolarHBondContact N-O 2.85Å; R118-L121 PolarHBondContact O-N 3.41Å; D119-L121 PolarHBondContact O-N 2.76Å; L121-H123 PolarHBondContact O-N 3.5Å; L121-A143 HydrophobicContact CD1-CB 4.25Å
122R97.5Very high97.7Very high37 Ų3751 Ų5114%0.1426%0.257CS..EExtended strand (participates in β ladder)trans-55.2129.9168.2-59.7172.7-69.7-154.3-0.4109.2Y107 Y113 W117 W141 G144Y107-R122 PolarHBondContact OH-NH1 2.95Å; Y113-R122 HydrophobicContact CD1-CG 3.77Å; Y113-R122 VanDerWaalsContact CD2-CD 3.47Å; Y113-R122 HydrophobicContact CD2-CG 4.03Å; Y113-R122 HydrophobicContact CE1-CB 4.03Å; Y113-R122 HydrophobicContact CE1-CG 3.63Å; Y113-R122 HydrophobicContact CE2-CB 3.98Å; Y113-R122 HydrophobicContact CE2-CG 3.91Å; Y113-R122 HydrophobicContact CG-CG 3.92Å; W117-R122 HydrophobicContact CE3-CG 4.33Å; W117-R122 HydrophobicContact CH2-CG 3.77Å; W117-R122 HydrophobicContact CZ2-CG 4.08Å; W117-R122 HydrophobicContact CZ3-CG 3.9Å; R122-W141 HydrophobicContact CB-CB 4.33Å; R122-W141 HydrophobicContact CB-CD2 4.37Å; R122-W141 HydrophobicContact CB-CE3 4.15Å; R122-W141 HydrophobicContact CB-CG 4.46Å; R122-G144 PolarHBondContact NE-O 3.06Å; R122-G144 PolarHBondContact NH2-O 3.22Å; R122-G144 PolarHBondContact O-N 2.94Å
123H97.8Very high97.5Very high43 Ų4353 Ų5320%0.19927%0.268CS..EExtended strand (participates in β ladder)trans-142.5176.3-174.3-158.358.6000110.5Y113 E116 R118 L121 W141Y113-H123 PolarHBondContact OH-O 3.08Å; E116-H123 CarbonylContact C-O 3.49Å; E116-H123 WeakPolarHBondContact CB-O 3.47Å; E116-H123 CarbonylContact O-C 3.58Å; E116-H123 PolarHBondContact O-N 3.02Å; R118-H123 HydrophobicContact CB-CB 3.86Å; L121-H123 PolarHBondContact O-N 3.5Å; H123-W141 CarbonylContact C-O 3.2Å; H123-W141 WeakPolarHBondContact CA-O 3.49Å
124G98.1Very high97.3Very high16 Ų1659.4 Ų59.417%0.16530%0.296CS..EExtended strand (participates in β ladder)trans51.6-142171.900000113.5N140 W141G124-N140 CarbonylContact O-C 3.53Å; G124-N140 VanDerWaalsContact O-CA 3.27Å; G124-N140 WeakPolarHBondContact O-CA 3.25Å; G124-W141 PolarHBondContact N-O 2.87Å; G124-W141 PolarHBondContact O-N 3.1Å
125R98.5Very high97.2Very high167 Ų16755.2 Ų55.263%0.6328%0.278SS*.EExtended strand (participates in β ladder)trans-88.3139.2176.2-169.1175-179.5178.8-0.4110.6G115 E116G115-R125 WeakPolarHBondContact CA-O 3.44Å; E116-R125 PolarHBondContact N-O 3.33Å; E116-R125 PolarHBondContact OE1-N 2.75Å
126G98.5Very high97.2Very high4 Ų458.1 Ų58.14%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-166.5164.4173.700000114.1E114 G139 W141E114-G126 CarbonylContact O-C 3.52Å; E114-G126 VanDerWaalsContact O-CA 3.24Å; E114-G126 WeakPolarHBondContact O-CA 3.2Å; G126-G139 PolarHBondContact N-O 2.79Å; G126-G139 PolarHBondContact O-N 3.31Å; G126-G139 VanDerWaalsContact O-N 3.07Å; G126-G139 VanDerWaalsContact O-O 3.11Å; G126-W141 PolarHBondContact O-NE1 2.93Å; G126-W141 VanDerWaalsContact O-NE1 3.11Å
127T98.7Very high97.2Very high40 Ų4054.9 Ų54.925%0.24528%0.275CS..EExtended strand (participates in β ladder)trans-115.9124.1178.8-60.20000109.4Y113 E114 Q136 Y137 I138Y113-T127 CarbonylContact C-O 3.52Å; Y113-T127 WeakPolarHBondContact CA-O 2.99Å; E114-T127 PolarHBondContact N-O 3.29Å; E114-T127 PolarHBondContact O-N 3.23Å; T127-Q136 HydrophobicContact CG2-CB 4.4Å; T127-Y137 CarbonylContact C-O 3.47Å; T127-Y137 VanDerWaalsContact CA-O 3.23Å; T127-Y137 WeakPolarHBondContact CA-O 3.06Å; T127-I138 HydrophobicContact CG2-CG1 3.94Å
128Y98.6Very high97.2Very high13 Ų1356.7 Ų56.75%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-104.6124.4167.9-170.8-76.5000109.3Y107 D111 T112 Y113 F130 Q136 Y137 W141Y107-Y128 HydrophobicContact CD2-CE2 4.24Å; Y107-Y128 HydrophobicContact CE2-CD2 4.36Å; Y107-Y128 AromaticContact CE2-CE2 3.56Å; Y107-Y128 HydrophobicContact CE2-CE2 3.56Å; D111-Y128 HydrophobicContact CB-CE1 3.91Å; D111-Y128 VanDerWaalsContact CB-OH 3.27Å; D111-Y128 WeakPolarHBondContact CB-OH 3.41Å; D111-Y128 PolarHBondContact OD2-OH 3.37Å; T112-Y128 CarbonylContact O-C 3.57Å; T112-Y128 VanDerWaalsContact O-CA 3.27Å; T112-Y128 WeakPolarHBondContact O-CA 3.26Å; Y113-Y128 HydrophobicContact CD2-CD2 4.48Å; Y128-F130 HydrophobicContact CD1-CD1 4.28Å; Y128-F130 AromaticContact CD1-CD2 3.92Å; Y128-F130 HydrophobicContact CD1-CD2 3.92Å; Y128-F130 HydrophobicContact CD1-CE1 4.09Å; Y128-F130 AromaticContact CD1-CE2 3.71Å; Y128-F130 HydrophobicContact CD1-CE2 3.71Å; Y128-F130 HydrophobicContact CD1-CG 4.21Å; Y128-F130 AromaticContact CD1-CZ 3.8Å; Y128-F130 HydrophobicContact CD1-CZ 3.8Å; Y128-F130 AromaticContact CE1-CD1 3.62Å; Y128-F130 HydrophobicContact CE1-CD1 3.62Å; Y128-F130 HydrophobicContact CE1-CD2 4.1Å; Y128-F130 AromaticContact CE1-CE1 3.5Å; Y128-F130 HydrophobicContact CE1-CE1 3.5Å; Y128-F130 VanDerWaalsContact CE1-CE1 3.5Å; Y128-F130 AromaticContact CE1-CE2 3.99Å; Y128-F130 HydrophobicContact CE1-CE2 3.99Å; Y128-F130 AromaticContact CE1-CG 3.93Å; Y128-F130 HydrophobicContact CE1-CG 3.93Å; Y128-F130 AromaticContact CE1-CZ 3.69Å; Y128-F130 HydrophobicContact CE1-CZ 3.69Å; Y128-Q136 CarbonylContact O-C 3.51Å; Y128-Q136 VanDerWaalsContact O-CA 3.25Å; Y128-Q136 WeakPolarHBondContact O-CA 3.29Å; Y128-Y137 PolarHBondContact N-O 3.09Å; Y128-Y137 PolarHBondContact O-N 2.93Å; Y128-W141 HydrophobicContact CD2-CH2 4.21Å; Y128-W141 HydrophobicContact CG-CH2 4.31Å
129T98.5Very high97.2Very high25 Ų2551.4 Ų51.415%0.15327%0.267CS..EExtended strand (participates in β ladder)trans-110.6121.6176.7-54.60000109.8D111 T112 Q136D111-T129 WeakPolarHBondContact CA-O 3.5Å; T112-T129 PolarHBondContact N-O 2.77Å; T112-T129 PolarHBondContact O-N 3.17Å; T112-T129 WeakPolarHBondContact OG1-CB 3.3Å; T129-Q136 HydrophobicContact CG2-CG 3.92Å; T129-Q136 PolarHBondContact OG1-NE2 3.04Å; T129-Q136 VanDerWaalsContact OG1-NE2 3.17Å
130F97.7Very high97.4Very high73 Ų7350.7 Ų50.732%0.3226%0.263SS..  trans-77.9119.3171.3-65.9-87000109.5D111 Y128 S132 T133 K134 L135D111-F130 VanDerWaalsContact OD1-CA 3.31Å; D111-F130 WeakPolarHBondContact OD1-CA 3.17Å; Y128-F130 HydrophobicContact CD1-CD1 4.28Å; Y128-F130 AromaticContact CD1-CD2 3.92Å; Y128-F130 HydrophobicContact CD1-CD2 3.92Å; Y128-F130 HydrophobicContact CD1-CE1 4.09Å; Y128-F130 AromaticContact CD1-CE2 3.71Å; Y128-F130 HydrophobicContact CD1-CE2 3.71Å; Y128-F130 HydrophobicContact CD1-CG 4.21Å; Y128-F130 AromaticContact CD1-CZ 3.8Å; Y128-F130 HydrophobicContact CD1-CZ 3.8Å; Y128-F130 AromaticContact CE1-CD1 3.62Å; Y128-F130 HydrophobicContact CE1-CD1 3.62Å; Y128-F130 HydrophobicContact CE1-CD2 4.1Å; Y128-F130 AromaticContact CE1-CE1 3.5Å; Y128-F130 HydrophobicContact CE1-CE1 3.5Å; Y128-F130 VanDerWaalsContact CE1-CE1 3.5Å; Y128-F130 AromaticContact CE1-CE2 3.99Å; Y128-F130 HydrophobicContact CE1-CE2 3.99Å; Y128-F130 AromaticContact CE1-CG 3.93Å; Y128-F130 HydrophobicContact CE1-CG 3.93Å; Y128-F130 AromaticContact CE1-CZ 3.69Å; Y128-F130 HydrophobicContact CE1-CZ 3.69Å; F130-S132 VanDerWaalsContact C-N 3.31Å; F130-S132 PolarHBondContact O-N 2.81Å; F130-T133 WeakPolarHBondContact CB-OG1 3.32Å; F130-K134 WeakPolarHBondContact O-CA 3.45Å; F130-K134 PolarHBondContact O-N 2.84Å; F130-L135 HydrophobicContact CB-CB 4.31Å; F130-L135 HydrophobicContact CD2-CB 3.94Å; F130-L135 HydrophobicContact CD2-CD2 4.08Å; F130-L135 HydrophobicContact CD2-CG 4.2Å; F130-L135 WeakPolarHBondContact CD2-O 3.4Å; F130-L135 HydrophobicContact CE2-CD2 4.26Å; F130-L135 HydrophobicContact CG-CB 4.49Å; F130-L135 PolarHBondContact N-O 3.27Å
131A96.8Very high97.5Very high24 Ų2450.4 Ų50.420%0.19826%0.261CS..THydrogen-bonded Turntrans-64.5-37.3-174.500000113.2G110 D111 K134G110-A131 WeakPolarHBondContact O-CB 3.22Å; D111-A131 PolarHBondContact OD1-N 3.02Å; A131-K134 WeakPolarHBondContact O-CE 3.46Å; A131-K134 PolarHBondContact O-NZ 2.96Å
132S95.4Very high97.6Very high108 Ų10853.2 Ų53.276%0.75527%0.271SS*.THydrogen-bonded Turntrans-70.2-41-175.356.10000113.1F130F130-S132 VanDerWaalsContact C-N 3.31Å; F130-S132 PolarHBondContact O-N 2.81Å
133T94.6Very high97.5Very high73 Ų7354.3 Ų54.345%0.44829%0.287SS..THydrogen-bonded Turntrans-107.5-13.1-174.256.80000113.5F130 L135F130-T133 WeakPolarHBondContact CB-OG1 3.32Å; T133-L135 PolarHBondContact O-N 3.13Å; T133-L135 VanDerWaalsContact O-N 3.13Å; T133-L135 WeakPolarHBondContact OG1-CB 3.11Å; T133-L135 PolarHBondContact OG1-N 2.84Å
134K94.1Very high97.4Very high135 Ų13552.8 Ų52.859%0.58728%0.283SS*.  trans57.315.7-166.3-51.7-53.4-175.6-159.50113.7F130 A131F130-K134 WeakPolarHBondContact O-CA 3.45Å; F130-K134 PolarHBondContact O-N 2.84Å; A131-K134 WeakPolarHBondContact O-CE 3.46Å; A131-K134 PolarHBondContact O-NZ 2.96Å
135L96.8Very high97.4Very high36 Ų3657.3 Ų57.319%0.18830%0.299CS..  trans-62.5136.1170.5-17372.7000108.4F130 T133 L152 V153 H154F130-L135 HydrophobicContact CB-CB 4.31Å; F130-L135 HydrophobicContact CD2-CB 3.94Å; F130-L135 HydrophobicContact CD2-CD2 4.08Å; F130-L135 HydrophobicContact CD2-CG 4.2Å; F130-L135 WeakPolarHBondContact CD2-O 3.4Å; F130-L135 HydrophobicContact CE2-CD2 4.26Å; F130-L135 HydrophobicContact CG-CB 4.49Å; F130-L135 PolarHBondContact N-O 3.27Å; T133-L135 PolarHBondContact O-N 3.13Å; T133-L135 VanDerWaalsContact O-N 3.13Å; T133-L135 WeakPolarHBondContact OG1-CB 3.11Å; T133-L135 PolarHBondContact OG1-N 2.84Å; L135-L152 HydrophobicContact CD1-CD1 4.21Å; L135-L152 HydrophobicContact CD1-CD2 4.41Å; L135-L152 HydrophobicContact CD1-CG 3.95Å; L135-L152 HydrophobicContact CD2-CD1 3.91Å; L135-L152 HydrophobicContact CD2-CD2 4.35Å; L135-L152 HydrophobicContact CD2-CG 4.29Å; L135-L152 HydrophobicContact CG-CD1 3.92Å; L135-L152 HydrophobicContact CG-CG 4.22Å; L135-V153 WeakPolarHBondContact CA-O 3.36Å; L135-V153 WeakPolarHBondContact CD1-O 3.38Å; L135-H154 HydrophobicContact CD1-CB 3.73Å
136Q98.4Very high97.3Very high65 Ų6551.9 Ų51.930%0.30428%0.281SS..EExtended strand (participates in β ladder)trans-120.3134.2176.4-66.3-176-25.200110.6T127 Y128 T129 I138 L152 V153T127-Q136 HydrophobicContact CG2-CB 4.4Å; Y128-Q136 CarbonylContact O-C 3.51Å; Y128-Q136 VanDerWaalsContact O-CA 3.25Å; Y128-Q136 WeakPolarHBondContact O-CA 3.29Å; T129-Q136 HydrophobicContact CG2-CG 3.92Å; T129-Q136 PolarHBondContact OG1-NE2 3.04Å; T129-Q136 VanDerWaalsContact OG1-NE2 3.17Å; Q136-I138 HydrophobicContact CB-CG1 4.38Å; Q136-L152 CarbonylContact O-C 3.48Å; Q136-L152 WeakPolarHBondContact O-CA 3.42Å; Q136-V153 HydrophobicContact CB-CB 4.34Å; Q136-V153 PolarHBondContact N-O 2.85Å; Q136-V153 PolarHBondContact O-N 3.26Å
137Y98.3Very high97.3Very high2 Ų253.5 Ų53.51%0.00829%0.289CS..EExtended strand (participates in β ladder)trans-98.4122.8158.8173.2-94.6000108.6T127 Y128 N140 W141 M146 E151 W163T127-Y137 CarbonylContact C-O 3.47Å; T127-Y137 VanDerWaalsContact CA-O 3.23Å; T127-Y137 WeakPolarHBondContact CA-O 3.06Å; Y128-Y137 PolarHBondContact N-O 3.09Å; Y128-Y137 PolarHBondContact O-N 2.93Å; Y137-N140 PolarHBondContact OH-O 2.84Å; Y137-W141 AromaticContact CD1-CE2 3.67Å; Y137-W141 HydrophobicContact CD1-CH2 4.21Å; Y137-W141 AromaticContact CD1-CZ2 3.35Å; Y137-W141 HydrophobicContact CD1-CZ2 3.35Å; Y137-W141 AromaticContact CD1-NE1 3.79Å; Y137-W141 HydrophobicContact CE1-CD2 4.4Å; Y137-W141 AromaticContact CE1-CE2 3.61Å; Y137-W141 AromaticContact CE1-CZ2 3.76Å; Y137-W141 HydrophobicContact CE1-CZ2 3.76Å; Y137-W141 AromaticContact CE1-NE1 3.54Å; Y137-W141 HydrophobicContact CG-CZ2 4.4Å; Y137-M146 HydrophobicContact CD1-CG 3.82Å; Y137-M146 HydrophobicContact CD1-SD 4.01Å; Y137-M146 HydrophobicContact CD2-CG 4.27Å; Y137-M146 HydrophobicContact CD2-SD 3.58Å; Y137-M146 VanDerWaalsContact CD2-SD 3.58Å; Y137-M146 HydrophobicContact CE1-CB 4.03Å; Y137-M146 HydrophobicContact CE1-CG 3.6Å; Y137-M146 HydrophobicContact CE1-SD 4.2Å; Y137-M146 HydrophobicContact CE2-CB 4.25Å; Y137-M146 HydrophobicContact CE2-CG 4.09Å; Y137-M146 HydrophobicContact CE2-SD 3.82Å; Y137-M146 HydrophobicContact CG-CG 4.11Å; Y137-M146 HydrophobicContact CG-SD 3.65Å; Y137-E151 CarbonylContact C-O 3.54Å; Y137-E151 WeakPolarHBondContact CA-O 3.42Å; Y137-W163 HydrophobicContact CD2-CH2 4.46Å; Y137-W163 HydrophobicContact CD2-CZ2 4.07Å; Y137-W163 AromaticContact CE2-CD2 3.66Å; Y137-W163 HydrophobicContact CE2-CD2 3.66Å; Y137-W163 AromaticContact CE2-CE2 3.62Å; Y137-W163 AromaticContact CE2-CE3 3.86Å; Y137-W163 HydrophobicContact CE2-CE3 3.86Å; Y137-W163 HydrophobicContact CE2-CG 4.22Å; Y137-W163 HydrophobicContact CE2-CH2 4.03Å; Y137-W163 AromaticContact CE2-CZ2 3.82Å; Y137-W163 HydrophobicContact CE2-CZ2 3.82Å; Y137-W163 HydrophobicContact CE2-CZ3 4.05Å
138I98.7Very high97.3Very high46 Ų4652 Ų5224%0.23628%0.281CS..EExtended strand (participates in β ladder)trans-117.6111.7176.1-55.1172.9000107.1T127 Q136 G150 E151 V153T127-I138 HydrophobicContact CG2-CG1 3.94Å; Q136-I138 HydrophobicContact CB-CG1 4.38Å; I138-G150 CarbonylContact O-C 3.57Å; I138-G150 WeakPolarHBondContact O-CA 3.42Å; I138-E151 PolarHBondContact N-O 2.86Å; I138-E151 PolarHBondContact O-N 3.25Å; I138-V153 HydrophobicContact CD1-CG2 3.99Å
139G98.1Very high97.2Very high6 Ų659.5 Ų59.56%0.06231%0.311CS..EExtended strand (participates in β ladder)trans178.7-162.1-176.300000114.2G126 W141G126-G139 PolarHBondContact N-O 2.79Å; G126-G139 PolarHBondContact O-N 3.31Å; G126-G139 VanDerWaalsContact O-N 3.07Å; G126-G139 VanDerWaalsContact O-O 3.11Å; G139-W141 VanDerWaalsContact O-CD1 3.32Å
140N98.4Very high97.2Very high72 Ų7258.7 Ų58.739%0.38531%0.307SS..EExtended strand (participates in β ladder)trans-90.5147.9-179-73-24.8000111.6G124 Y137 N147 Y149G124-N140 CarbonylContact O-C 3.53Å; G124-N140 VanDerWaalsContact O-CA 3.27Å; G124-N140 WeakPolarHBondContact O-CA 3.25Å; Y137-N140 PolarHBondContact OH-O 2.84Å; N140-N147 CarbonylContact C-O 3.52Å; N140-N147 WeakPolarHBondContact CB-O 3.25Å; N140-N147 PolarHBondContact O-N 2.54Å; N140-Y149 PolarHBondContact N-O 3.35Å
141W98.5Very high97.2Very high16 Ų1657.9 Ų57.96%0.06131%0.305CS..EExtended strand (participates in β ladder)trans-129.8140.9-178-6280.8000110.1Y113 R122 H123 G124 G126 Y128 Y137 G139 K145 M146Y113-W141 HydrophobicContact CD2-CZ2 4.04Å; Y113-W141 AromaticContact CE2-CD1 3.87Å; Y113-W141 AromaticContact CE2-CD2 3.88Å; Y113-W141 HydrophobicContact CE2-CD2 3.88Å; Y113-W141 AromaticContact CE2-CE2 3.56Å; Y113-W141 HydrophobicContact CE2-CG 4.07Å; Y113-W141 AromaticContact CE2-CZ2 3.96Å; Y113-W141 HydrophobicContact CE2-CZ2 3.96Å; Y113-W141 AromaticContact CE2-NE1 3.58Å; R122-W141 HydrophobicContact CB-CB 4.33Å; R122-W141 HydrophobicContact CB-CD2 4.37Å; R122-W141 HydrophobicContact CB-CE3 4.15Å; R122-W141 HydrophobicContact CB-CG 4.46Å; H123-W141 CarbonylContact C-O 3.2Å; H123-W141 WeakPolarHBondContact CA-O 3.49Å; G124-W141 PolarHBondContact N-O 2.87Å; G124-W141 PolarHBondContact O-N 3.1Å; G126-W141 PolarHBondContact O-NE1 2.93Å; G126-W141 VanDerWaalsContact O-NE1 3.11Å; Y128-W141 HydrophobicContact CD2-CH2 4.21Å; Y128-W141 HydrophobicContact CG-CH2 4.31Å; Y137-W141 AromaticContact CD1-CE2 3.67Å; Y137-W141 HydrophobicContact CD1-CH2 4.21Å; Y137-W141 AromaticContact CD1-CZ2 3.35Å; Y137-W141 HydrophobicContact CD1-CZ2 3.35Å; Y137-W141 AromaticContact CD1-NE1 3.79Å; Y137-W141 HydrophobicContact CE1-CD2 4.4Å; Y137-W141 AromaticContact CE1-CE2 3.61Å; Y137-W141 AromaticContact CE1-CZ2 3.76Å; Y137-W141 HydrophobicContact CE1-CZ2 3.76Å; Y137-W141 AromaticContact CE1-NE1 3.54Å; Y137-W141 HydrophobicContact CG-CZ2 4.4Å; G139-W141 VanDerWaalsContact O-CD1 3.32Å; W141-K145 CarbonylContact C-O 3.58Å; W141-K145 VanDerWaalsContact CA-O 3.29Å; W141-K145 WeakPolarHBondContact CA-O 3.32Å; W141-M146 HydrophobicContact CE3-CG 4.24Å; W141-M146 HydrophobicContact CH2-CG 3.74Å; W141-M146 HydrophobicContact CZ2-CG 4.12Å; W141-M146 HydrophobicContact CZ3-CG 3.8Å
142K98.2Very high97.2Very high117 Ų11759.1 Ų59.151%0.50931%0.307SS..EExtended strand (participates in β ladder)trans-139.7124.4174.3-173.5-177.8177.9-173.70108.9G144 K145 N147K142-G144 VanDerWaalsContact C-N 3.28Å; K142-G144 PolarHBondContact O-N 3.34Å; K142-K145 PolarHBondContact N-O 3.32Å; K142-K145 PolarHBondContact O-N 2.71Å; K142-N147 HydrophobicContact CB-CB 3.78Å
143A95.8Very high97.3Very high59 Ų5955 Ų5549%0.48828%0.278SS..THydrogen-bonded Turntrans48.349.3179.400000112.5L121 K145L121-A143 HydrophobicContact CD1-CB 4.25Å; A143-K145 VanDerWaalsContact C-N 3.28Å; A143-K145 PolarHBondContact O-N 2.7Å
144G95.8Very high97.3Very high11 Ų1154.4 Ų54.411%0.11327%0.27CS..THydrogen-bonded Turntrans80.9-4.4176.600000115.6R122 K142R122-G144 PolarHBondContact NE-O 3.06Å; R122-G144 PolarHBondContact NH2-O 3.22Å; R122-G144 PolarHBondContact O-N 2.94Å; K142-G144 VanDerWaalsContact C-N 3.28Å; K142-G144 PolarHBondContact O-N 3.34Å
145K96.9Very high97Very high112 Ų11251.3 Ų51.349%0.48726%0.263SS..EExtended strand (participates in β ladder)trans-115.9146.7-175.3-60.1179.1-175.9177.60112.1W141 K142 A143 N147 D165W141-K145 CarbonylContact C-O 3.58Å; W141-K145 VanDerWaalsContact CA-O 3.29Å; W141-K145 WeakPolarHBondContact CA-O 3.32Å; K142-K145 PolarHBondContact N-O 3.32Å; K142-K145 PolarHBondContact O-N 2.71Å; A143-K145 VanDerWaalsContact C-N 3.28Å; A143-K145 PolarHBondContact O-N 2.7Å; K145-N147 PolarHBondContact O-N 2.77Å; K145-D165 HydrophobicContact CD-CB 4.37Å
146M97.5Very high96.6Very high53 Ų5355 Ų5526%0.26128%0.279SS..EExtended strand (participates in β ladder)trans-57.6126.3170.1-61.7176.4-78.400109.3Y137 W141 W163 G166Y137-M146 HydrophobicContact CD1-CG 3.82Å; Y137-M146 HydrophobicContact CD1-SD 4.01Å; Y137-M146 HydrophobicContact CD2-CG 4.27Å; Y137-M146 HydrophobicContact CD2-SD 3.58Å; Y137-M146 VanDerWaalsContact CD2-SD 3.58Å; Y137-M146 HydrophobicContact CE1-CB 4.03Å; Y137-M146 HydrophobicContact CE1-CG 3.6Å; Y137-M146 HydrophobicContact CE1-SD 4.2Å; Y137-M146 HydrophobicContact CE2-CB 4.25Å; Y137-M146 HydrophobicContact CE2-CG 4.09Å; Y137-M146 HydrophobicContact CE2-SD 3.82Å; Y137-M146 HydrophobicContact CG-CG 4.11Å; Y137-M146 HydrophobicContact CG-SD 3.65Å; W141-M146 HydrophobicContact CE3-CG 4.24Å; W141-M146 HydrophobicContact CH2-CG 3.74Å; W141-M146 HydrophobicContact CZ2-CG 4.12Å; W141-M146 HydrophobicContact CZ3-CG 3.8Å; M146-W163 HydrophobicContact CB-CB 4.05Å; M146-W163 HydrophobicContact CB-CG 4.01Å; M146-G166 WeakPolarHBondContact O-CA 3.26Å; M146-G166 PolarHBondContact O-N 2.88Å
147N97.9Very high96.2Very high38 Ų3854.5 Ų54.520%0.20328%0.277CS..EExtended strand (participates in β ladder)trans-158.2126.8-173-172.469.2000111.7N140 K142 K145 W163 D165N140-N147 CarbonylContact C-O 3.52Å; N140-N147 WeakPolarHBondContact CB-O 3.25Å; N140-N147 PolarHBondContact O-N 2.54Å; K142-N147 HydrophobicContact CB-CB 3.78Å; K145-N147 PolarHBondContact O-N 2.77Å; N147-W163 CarbonylContact C-O 3.48Å; N147-W163 WeakPolarHBondContact CA-O 3.27Å; N147-D165 PolarHBondContact OD1-N 3.34Å
148G97.7Very high96.1Very high9 Ų957.1 Ų57.19%0.09329%0.287CS..EExtended strand (participates in β ladder)trans96.6-163.2-172.900000112.6W163G148-W163 PolarHBondContact N-O 2.85Å; G148-W163 PolarHBondContact O-N 2.93Å
149Y97.8Very high96Very high169 Ų16955.1 Ų55.166%0.66328%0.276SS*.EExtended strand (participates in β ladder)trans-69.9145.1176.1-70.8-78000111.9N140 G161 F162N140-Y149 PolarHBondContact N-O 3.35Å; Y149-G161 WeakPolarHBondContact CA-O 3.16Å; Y149-G161 WeakPolarHBondContact CD1-O 2.88Å; Y149-F162 HydrophobicContact CD1-CB 4.48Å; Y149-F162 AromaticContact CD1-CD2 3.99Å; Y149-F162 HydrophobicContact CD1-CD2 3.99Å; Y149-F162 AromaticContact CD2-CD2 3.94Å; Y149-F162 HydrophobicContact CD2-CD2 3.94Å; Y149-F162 HydrophobicContact CD2-CE2 4.16Å; Y149-F162 HydrophobicContact CE1-CB 4.44Å; Y149-F162 AromaticContact CE1-CD2 3.94Å; Y149-F162 HydrophobicContact CE1-CD2 3.94Å; Y149-F162 AromaticContact CE2-CD2 3.88Å; Y149-F162 HydrophobicContact CE2-CD2 3.88Å; Y149-F162 HydrophobicContact CE2-CE2 4.07Å; Y149-F162 AromaticContact CG-CD2 3.99Å; Y149-F162 HydrophobicContact CG-CD2 3.99Å; Y149-F162 AromaticContact CZ-CD2 3.89Å
150G97.8Very high96Very high8 Ų856.6 Ų56.68%0.08228%0.283CS..EExtended strand (participates in β ladder)trans-163.2178.8175.800000112.9I138 G161 W163I138-G150 CarbonylContact O-C 3.57Å; I138-G150 WeakPolarHBondContact O-CA 3.42Å; G150-G161 PolarHBondContact N-O 2.8Å; G150-G161 PolarHBondContact O-N 3.02Å; G150-W163 WeakPolarHBondContact O-CZ3 3.47Å
151E98Very high96Very high57 Ų5753.4 Ų53.427%0.26627%0.266SS..EExtended strand (participates in β ladder)trans-128.4134.8174.9-54.2-169.5-168.400109.6Y137 I138 V153 R158 F159 I160Y137-E151 CarbonylContact C-O 3.54Å; Y137-E151 WeakPolarHBondContact CA-O 3.42Å; I138-E151 PolarHBondContact N-O 2.86Å; I138-E151 PolarHBondContact O-N 3.25Å; E151-V153 HydrophobicContact CB-CG2 4.11Å; E151-R158 IonicContact OE2-CZ 3.98Å; E151-R158 IonicContact OE2-NH1 3.56Å; E151-R158 PolarHBondContact OE2-NH1 3.21Å; E151-F159 CarbonylContact C-O 3.54Å; E151-F159 WeakPolarHBondContact CA-O 3.15Å; E151-I160 HydrophobicContact CG-CG1 4.03Å; E151-I160 HydrophobicContact CG-CG2 4.48Å
152L97.5Very high96Very high49 Ų4955.9 Ų55.926%0.25728%0.278SS..EExtended strand (participates in β ladder)trans-103.2109.1167.3-168.872.1000108.1L135 Q136 R158 F159 W163L135-L152 HydrophobicContact CD1-CD1 4.21Å; L135-L152 HydrophobicContact CD1-CD2 4.41Å; L135-L152 HydrophobicContact CD1-CG 3.95Å; L135-L152 HydrophobicContact CD2-CD1 3.91Å; L135-L152 HydrophobicContact CD2-CD2 4.35Å; L135-L152 HydrophobicContact CD2-CG 4.29Å; L135-L152 HydrophobicContact CG-CD1 3.92Å; L135-L152 HydrophobicContact CG-CG 4.22Å; Q136-L152 CarbonylContact O-C 3.48Å; Q136-L152 WeakPolarHBondContact O-CA 3.42Å; L152-R158 CarbonylContact O-C 3.49Å; L152-R158 WeakPolarHBondContact O-CA 3.25Å; L152-F159 HydrophobicContact CB-CB 4.26Å; L152-F159 PolarHBondContact N-O 3.47Å; L152-F159 PolarHBondContact O-N 3.41Å; L152-W163 HydrophobicContact CB-CZ2 4.38Å
153V97.4Very high95.9Very high22 Ų2250.9 Ų50.913%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-105.3114.3-171-174.80000109.8L135 Q136 I138 E151 R158L135-V153 WeakPolarHBondContact CA-O 3.36Å; L135-V153 WeakPolarHBondContact CD1-O 3.38Å; Q136-V153 HydrophobicContact CB-CB 4.34Å; Q136-V153 PolarHBondContact N-O 2.85Å; Q136-V153 PolarHBondContact O-N 3.26Å; I138-V153 HydrophobicContact CD1-CG2 3.99Å; E151-V153 HydrophobicContact CB-CG2 4.11Å; V153-R158 HydrophobicContact CG2-CB 4.33Å
154H93.1Very high96Very high60 Ų6054.8 Ų54.828%0.27826%0.258SS..EExtended strand (participates in β ladder)trans-109.4155.5171.4-176.8-91.9000109L135 H156 H157L135-H154 HydrophobicContact CD1-CB 3.73Å; H154-H156 PolarHBondContact ND1-N 2.72Å; H154-H156 PolarHBondContact O-N 2.86Å; H154-H157 CarbonylContact C-O 3.49Å; H154-H157 WeakPolarHBondContact CA-O 3.19Å; H154-H157 VanDerWaalsContact CB-O 3.3Å; H154-H157 WeakPolarHBondContact CB-O 3.32Å; H154-H157 AromaticContact CG-CE1 3.59Å; H154-H157 AromaticContact CG-ND1 3.99Å; H154-H157 PolarHBondContact N-O 3.24Å; H154-H157 AromaticContact ND1-CE1 3.49Å; H154-H157 PolarHBondContact ND1-CE1 3.39Å; H154-H157 AromaticContact ND1-ND1 3.56Å; H154-H157 PolarHBondContact O-N 3.2Å
155P88.1Confident95.9Very high70 Ų7058.6 Ų58.646%0.45528%0.276SS..THydrogen-bonded Turntrans-49.6-33.4-179.4-34.436.8000116.2Q177P155-Q177 PolarHBondContact O-OE1 2.7Å
156H87.8Confident95.7Very high113 Ų11354.7 Ų54.752%0.52327%0.267SS..THydrogen-bonded Turntrans-109.1-11.6-175.3-59.1153.3000114.9H154 Q177H154-H156 PolarHBondContact ND1-N 2.72Å; H154-H156 PolarHBondContact O-N 2.86Å; H156-Q177 PolarHBondContact O-N 2.85Å
157H92Very high95.6Very high56 Ų5656.2 Ų56.226%0.25928%0.275SS..EExtended strand (participates in β ladder)trans-156.7157.4-177.963.6-94000110.7H154 Y174 I175 F176H154-H157 CarbonylContact C-O 3.49Å; H154-H157 WeakPolarHBondContact CA-O 3.19Å; H154-H157 VanDerWaalsContact CB-O 3.3Å; H154-H157 WeakPolarHBondContact CB-O 3.32Å; H154-H157 AromaticContact CG-CE1 3.59Å; H154-H157 AromaticContact CG-ND1 3.99Å; H154-H157 PolarHBondContact N-O 3.24Å; H154-H157 AromaticContact ND1-CE1 3.49Å; H154-H157 PolarHBondContact ND1-CE1 3.39Å; H154-H157 AromaticContact ND1-ND1 3.56Å; H154-H157 PolarHBondContact O-N 3.2Å; H157-Y174 AromaticContact CD2-CD1 3.96Å; H157-Y174 AromaticContact CD2-CE1 4Å; H157-I175 CarbonylContact C-O 3.44Å; H157-I175 WeakPolarHBondContact CA-O 3.39Å; H157-I175 WeakPolarHBondContact CB-O 3.5Å; H157-F176 HydrophobicContact CB-CD1 3.81Å; H157-F176 HydrophobicContact CB-CE1 4.14Å
158R95.6Very high95.5Very high57 Ų5755.3 Ų55.322%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-131.7147.5168.163.5175.262.9-164.43.8111.1E151 L152 V153 Y174 I175E151-R158 IonicContact OE2-CZ 3.98Å; E151-R158 IonicContact OE2-NH1 3.56Å; E151-R158 PolarHBondContact OE2-NH1 3.21Å; L152-R158 CarbonylContact O-C 3.49Å; L152-R158 WeakPolarHBondContact O-CA 3.25Å; V153-R158 HydrophobicContact CG2-CB 4.33Å; R158-Y174 CarbonylContact O-C 3.52Å; R158-Y174 WeakPolarHBondContact O-CA 3.45Å; R158-I175 HydrophobicContact CG-CB 3.94Å; R158-I175 HydrophobicContact CG-CD1 4.36Å; R158-I175 PolarHBondContact N-O 2.95Å; R158-I175 PolarHBondContact O-N 3.3Å
159F97.2Very high95.4Very high3 Ų357 Ų571%0.01328%0.277CS..EExtended strand (participates in β ladder)trans-108.6132.4172.1172.8-101.4000109.8E151 L152 W163 V168 R173 Y174 Y187 W209E151-F159 CarbonylContact C-O 3.54Å; E151-F159 WeakPolarHBondContact CA-O 3.15Å; L152-F159 HydrophobicContact CB-CB 4.26Å; L152-F159 PolarHBondContact N-O 3.47Å; L152-F159 PolarHBondContact O-N 3.41Å; F159-W163 AromaticContact CD1-CH2 3.64Å; F159-W163 HydrophobicContact CD1-CH2 3.64Å; F159-W163 AromaticContact CD1-CZ2 3.95Å; F159-W163 HydrophobicContact CD1-CZ2 3.95Å; F159-W163 AromaticContact CE1-CH2 3.68Å; F159-W163 HydrophobicContact CE1-CH2 3.68Å; F159-W163 HydrophobicContact CE1-CZ2 4.02Å; F159-W163 HydrophobicContact CE1-CZ3 4.34Å; F159-V168 HydrophobicContact CE1-CG2 3.5Å; F159-V168 HydrophobicContact CZ-CG2 3.86Å; F159-R173 WeakPolarHBondContact CA-O 3.43Å; F159-Y174 HydrophobicContact CB-CD1 3.88Å; F159-Y174 HydrophobicContact CB-CE1 3.62Å; F159-Y174 HydrophobicContact CB-CE2 4.44Å; F159-Y174 HydrophobicContact CB-CG 4.42Å; F159-Y174 HydrophobicContact CD2-CD1 4.33Å; F159-Y174 AromaticContact CD2-CD2 3.65Å; F159-Y174 HydrophobicContact CD2-CD2 3.65Å; F159-Y174 HydrophobicContact CD2-CE1 4.18Å; F159-Y174 AromaticContact CD2-CE2 3.44Å; F159-Y174 HydrophobicContact CD2-CE2 3.44Å; F159-Y174 VanDerWaalsContact CD2-CE2 3.44Å; F159-Y174 HydrophobicContact CD2-CG 4.09Å; F159-Y174 AromaticContact CD2-CZ 3.73Å; F159-Y174 HydrophobicContact CE2-CD2 4.34Å; F159-Y174 HydrophobicContact CE2-CE2 4.05Å; F159-Y174 HydrophobicContact CG-CE1 4.23Å; F159-Y174 HydrophobicContact CG-CE2 4.21Å; F159-Y187 HydrophobicContact CD1-CE2 4.5Å; F159-Y187 HydrophobicContact CD2-CE2 4.25Å; F159-Y187 HydrophobicContact CE1-CD2 4.27Å; F159-Y187 AromaticContact CE1-CE2 3.92Å; F159-Y187 HydrophobicContact CE1-CE2 3.92Å; F159-Y187 HydrophobicContact CE2-CD2 4.03Å; F159-Y187 AromaticContact CE2-CE2 3.61Å; F159-Y187 HydrophobicContact CE2-CE2 3.61Å; F159-Y187 AromaticContact CZ-CD2 3.59Å; F159-Y187 HydrophobicContact CZ-CD2 3.59Å; F159-Y187 AromaticContact CZ-CE2 3.43Å; F159-Y187 HydrophobicContact CZ-CE2 3.43Å; F159-Y187 VanDerWaalsContact CZ-CE2 3.43Å; F159-W209 HydrophobicContact CE2-CH2 4.12Å; F159-W209 AromaticContact CE2-CZ3 3.85Å; F159-W209 HydrophobicContact CE2-CZ3 3.85Å
160I98.1Very high95.2Very high38 Ų3850.5 Ų50.520%0.19526%0.261CS..EExtended strand (participates in β ladder)trans-113.7126.4173.4-52.1-177.7000107.6E151 G172 R173 I175E151-I160 HydrophobicContact CG-CG1 4.03Å; E151-I160 HydrophobicContact CG-CG2 4.48Å; I160-G172 CarbonylContact O-C 3.55Å; I160-G172 WeakPolarHBondContact O-CA 3.09Å; I160-R173 HydrophobicContact CB-CG 4.28Å; I160-R173 PolarHBondContact N-O 2.82Å; I160-R173 PolarHBondContact O-N 3.23Å; I160-I175 HydrophobicContact CD1-CD1 3.83Å
161G97.4Very high95.2Very high4 Ų458.6 Ų58.64%0.04129%0.294CS..EExtended strand (participates in β ladder)trans-165-160.4-17700000114Y149 G150 W163Y149-G161 WeakPolarHBondContact CA-O 3.16Å; Y149-G161 WeakPolarHBondContact CD1-O 2.88Å; G150-G161 PolarHBondContact N-O 2.8Å; G150-G161 PolarHBondContact O-N 3.02Å; G161-W163 VanDerWaalsContact O-CZ3 3.24Å; G161-W163 WeakPolarHBondContact O-CZ3 3.47Å
162F97.8Very high95.1Very high68 Ų6856.5 Ų56.530%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-124.4136.1-179.7-167.8-87.7000110.4Y149 R164 V168 I169Y149-F162 HydrophobicContact CD1-CB 4.48Å; Y149-F162 AromaticContact CD1-CD2 3.99Å; Y149-F162 HydrophobicContact CD1-CD2 3.99Å; Y149-F162 AromaticContact CD2-CD2 3.94Å; Y149-F162 HydrophobicContact CD2-CD2 3.94Å; Y149-F162 HydrophobicContact CD2-CE2 4.16Å; Y149-F162 HydrophobicContact CE1-CB 4.44Å; Y149-F162 AromaticContact CE1-CD2 3.94Å; Y149-F162 HydrophobicContact CE1-CD2 3.94Å; Y149-F162 AromaticContact CE2-CD2 3.88Å; Y149-F162 HydrophobicContact CE2-CD2 3.88Å; Y149-F162 HydrophobicContact CE2-CE2 4.07Å; Y149-F162 AromaticContact CG-CD2 3.99Å; Y149-F162 HydrophobicContact CG-CD2 3.99Å; Y149-F162 AromaticContact CZ-CD2 3.89Å; F162-R164 HydrophobicContact CE1-CB 4.43Å; F162-V168 WeakPolarHBondContact O-CA 3.35Å; F162-I169 HydrophobicContact CD1-CD1 4.19Å; F162-I169 HydrophobicContact CD1-CG1 3.99Å; F162-I169 PolarHBondContact O-N 3.36Å
163W97.5Very high95.1Very high13 Ų1359.4 Ų59.45%0.04930%0.295CS..EExtended strand (participates in β ladder)trans-113.1144.1176.6-72.8-107.9000109.9Y137 M146 N147 G148 G150 L152 F159 G161 M167 V168Y137-W163 HydrophobicContact CD2-CH2 4.46Å; Y137-W163 HydrophobicContact CD2-CZ2 4.07Å; Y137-W163 AromaticContact CE2-CD2 3.66Å; Y137-W163 HydrophobicContact CE2-CD2 3.66Å; Y137-W163 AromaticContact CE2-CE2 3.62Å; Y137-W163 AromaticContact CE2-CE3 3.86Å; Y137-W163 HydrophobicContact CE2-CE3 3.86Å; Y137-W163 HydrophobicContact CE2-CG 4.22Å; Y137-W163 HydrophobicContact CE2-CH2 4.03Å; Y137-W163 AromaticContact CE2-CZ2 3.82Å; Y137-W163 HydrophobicContact CE2-CZ2 3.82Å; Y137-W163 HydrophobicContact CE2-CZ3 4.05Å; M146-W163 HydrophobicContact CB-CB 4.05Å; M146-W163 HydrophobicContact CB-CG 4.01Å; N147-W163 CarbonylContact C-O 3.48Å; N147-W163 WeakPolarHBondContact CA-O 3.27Å; G148-W163 PolarHBondContact N-O 2.85Å; G148-W163 PolarHBondContact O-N 2.93Å; G150-W163 WeakPolarHBondContact O-CZ3 3.47Å; L152-W163 HydrophobicContact CB-CZ2 4.38Å; F159-W163 AromaticContact CD1-CH2 3.64Å; F159-W163 HydrophobicContact CD1-CH2 3.64Å; F159-W163 AromaticContact CD1-CZ2 3.95Å; F159-W163 HydrophobicContact CD1-CZ2 3.95Å; F159-W163 AromaticContact CE1-CH2 3.68Å; F159-W163 HydrophobicContact CE1-CH2 3.68Å; F159-W163 HydrophobicContact CE1-CZ2 4.02Å; F159-W163 HydrophobicContact CE1-CZ3 4.34Å; G161-W163 VanDerWaalsContact O-CZ3 3.24Å; G161-W163 WeakPolarHBondContact O-CZ3 3.47Å; W163-M167 CarbonylContact C-O 3.46Å; W163-M167 VanDerWaalsContact CA-O 3.31Å; W163-M167 WeakPolarHBondContact CA-O 3.29Å; W163-V168 HydrophobicContact CZ2-CG2 4.34Å
164R96.6Very high95.1Very high141 Ų14160 Ų6053%0.53230%0.296SS..EExtended strand (participates in β ladder)trans-134.2120.2170.2-175.4175.265.8142.71.5108.5F162 G166 M167 I169F162-R164 HydrophobicContact CE1-CB 4.43Å; R164-G166 PolarHBondContact O-N 3.45Å; R164-M167 PolarHBondContact N-O 2.8Å; R164-M167 PolarHBondContact O-N 3.14Å; R164-I169 HydrophobicContact CB-CD1 3.65Å; R164-I169 HydrophobicContact CB-CG1 4.29Å
165D94.1Very high95.1Very high91 Ų9158 Ų5849%0.48729%0.287SS..THydrogen-bonded Turntrans50.340.8179.9-57.3-50000113.8K145 N147 M167K145-D165 HydrophobicContact CD-CB 4.37Å; N147-D165 PolarHBondContact OD1-N 3.34Å; D165-M167 VanDerWaalsContact C-N 3.34Å
166G93.5Very high95.3Very high29 Ų2957.7 Ų57.730%0.29928%0.278SS..THydrogen-bonded Turntrans88.7-11.6-179.900000115.1M146 R164M146-G166 WeakPolarHBondContact O-CA 3.26Å; M146-G166 PolarHBondContact O-N 2.88Å; R164-G166 PolarHBondContact O-N 3.45Å
167M94Very high94.9Very high86 Ų8654.8 Ų54.842%0.42427%0.265SS..EExtended strand (participates in β ladder)trans-100.5128.7-179.9-67-172-73.300111.8W163 R164 D165W163-M167 CarbonylContact C-O 3.46Å; W163-M167 VanDerWaalsContact CA-O 3.31Å; W163-M167 WeakPolarHBondContact CA-O 3.29Å; R164-M167 PolarHBondContact N-O 2.8Å; R164-M167 PolarHBondContact O-N 3.14Å; D165-M167 VanDerWaalsContact C-N 3.34Å
168V96.2Very high94.4Very high18 Ų1858.2 Ų58.211%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-70.6132.5171.263.50000110.3F159 F162 W163 Y187 P207F159-V168 HydrophobicContact CE1-CG2 3.5Å; F159-V168 HydrophobicContact CZ-CG2 3.86Å; F162-V168 WeakPolarHBondContact O-CA 3.35Å; W163-V168 HydrophobicContact CZ2-CG2 4.34Å; V168-Y187 HydrophobicContact CB-CD2 4.25Å; V168-Y187 HydrophobicContact CB-CG 4.45Å; V168-Y187 HydrophobicContact CG1-CD1 3.84Å; V168-Y187 HydrophobicContact CG1-CD2 3.83Å; V168-Y187 HydrophobicContact CG1-CE1 3.96Å; V168-Y187 HydrophobicContact CG1-CE2 3.95Å; V168-Y187 HydrophobicContact CG1-CG 3.74Å; V168-Y187 HydrophobicContact CG2-CD2 3.39Å; V168-Y187 HydrophobicContact CG2-CE2 3.76Å; V168-Y187 HydrophobicContact CG2-CG 3.97Å; V168-P207 HydrophobicContact CG1-CB 3.68Å; V168-P207 HydrophobicContact CG1-CG 4.05Å
169I94.8Very high93.6Very high46 Ų4658.9 Ų58.924%0.23630%0.298CS..EExtended strand (participates in β ladder)trans-143.7154.3-176.159.4167.6000112.1F162 R164F162-I169 HydrophobicContact CD1-CD1 4.19Å; F162-I169 HydrophobicContact CD1-CG1 3.99Å; F162-I169 PolarHBondContact O-N 3.36Å; R164-I169 HydrophobicContact CB-CD1 3.65Å; R164-I169 HydrophobicContact CB-CG1 4.29Å
170G95.1Very high92.9Very high32 Ų3261 Ų6133%0.3331%0.313SS..EExtended strand (participates in β ladder)trans71.1-160.7169.600000113.5E186 Y187G170-E186 CarbonylContact O-C 3.51Å; G170-E186 WeakPolarHBondContact O-CA 3.35Å; G170-Y187 PolarHBondContact N-O 3.07Å; G170-Y187 PolarHBondContact O-N 2.8Å
171K97.4Very high92.6Very high177 Ų17760.2 Ų60.277%0.7731%0.311SS*.EExtended strand (participates in β ladder)trans-65.7140.9-173.4-63.6-175.6179.6-179.30111.8G185K171-G185 WeakPolarHBondContact CA-O 3.42Å
172G96.7Very high92.5Very high14 Ų1461.8 Ų61.814%0.14432%0.318CS..EExtended strand (participates in β ladder)trans-155.5-178172.600000111.7I160 G185 W209I160-G172 CarbonylContact O-C 3.55Å; I160-G172 WeakPolarHBondContact O-CA 3.09Å; G172-G185 PolarHBondContact N-O 2.66Å; G172-G185 PolarHBondContact O-N 2.77Å; G172-G185 VanDerWaalsContact O-O 3.13Å; G172-W209 WeakPolarHBondContact O-CH2 3.37Å
173R96.8Very high92.4Very high109 Ų10960.4 Ų60.441%0.41131%0.312SS..EExtended strand (participates in β ladder)trans-144.5139.2172.565-177.5177.8-144.7-2.2111.6F159 I160 Q183 T184F159-R173 WeakPolarHBondContact CA-O 3.43Å; I160-R173 HydrophobicContact CB-CG 4.28Å; I160-R173 PolarHBondContact N-O 2.82Å; I160-R173 PolarHBondContact O-N 3.23Å; R173-Q183 CarbonylContact C-O 3.48Å; R173-Q183 VanDerWaalsContact CA-O 3.25Å; R173-Q183 WeakPolarHBondContact CA-O 3.45Å; R173-T184 HydrophobicContact CB-CG2 4.28Å
174Y96.3Very high92.4Very high36 Ų3661.5 Ų61.514%0.14132%0.32CS..EExtended strand (participates in β ladder)trans-89.4137.9163.5-78.9-88.4000109.7H157 R158 F159 F176 Q182 Q183 Y187 W209H157-Y174 AromaticContact CD2-CD1 3.96Å; H157-Y174 AromaticContact CD2-CE1 4Å; R158-Y174 CarbonylContact O-C 3.52Å; R158-Y174 WeakPolarHBondContact O-CA 3.45Å; F159-Y174 HydrophobicContact CB-CD1 3.88Å; F159-Y174 HydrophobicContact CB-CE1 3.62Å; F159-Y174 HydrophobicContact CB-CE2 4.44Å; F159-Y174 HydrophobicContact CB-CG 4.42Å; F159-Y174 HydrophobicContact CD2-CD1 4.33Å; F159-Y174 AromaticContact CD2-CD2 3.65Å; F159-Y174 HydrophobicContact CD2-CD2 3.65Å; F159-Y174 HydrophobicContact CD2-CE1 4.18Å; F159-Y174 AromaticContact CD2-CE2 3.44Å; F159-Y174 HydrophobicContact CD2-CE2 3.44Å; F159-Y174 VanDerWaalsContact CD2-CE2 3.44Å; F159-Y174 HydrophobicContact CD2-CG 4.09Å; F159-Y174 AromaticContact CD2-CZ 3.73Å; F159-Y174 HydrophobicContact CE2-CD2 4.34Å; F159-Y174 HydrophobicContact CE2-CE2 4.05Å; F159-Y174 HydrophobicContact CG-CE1 4.23Å; F159-Y174 HydrophobicContact CG-CE2 4.21Å; Y174-F176 HydrophobicContact CG-CZ 4.32Å; Y174-Q182 CarbonylContact O-C 3.51Å; Y174-Q182 WeakPolarHBondContact O-CA 3.31Å; Y174-Q182 WeakPolarHBondContact O-CB 3.36Å; Y174-Q183 PolarHBondContact N-O 2.96Å; Y174-Q183 PolarHBondContact O-N 2.92Å; Y174-Y187 PolarHBondContact OH-OH 2.94Å; Y174-W209 AromaticContact CD2-CE2 3.93Å; Y174-W209 HydrophobicContact CD2-CH2 4.37Å; Y174-W209 AromaticContact CD2-CZ2 3.86Å; Y174-W209 HydrophobicContact CD2-CZ2 3.86Å; Y174-W209 HydrophobicContact CE2-CD2 4.11Å; Y174-W209 AromaticContact CE2-CE2 3.97Å; Y174-W209 HydrophobicContact CE2-CG 4.44Å; Y174-W209 HydrophobicContact CE2-CZ2 4.24Å
175I95Very high92.4Very high17 Ų1755.1 Ų55.19%0.08730%0.299CS..EExtended strand (participates in β ladder)trans-117.2121173.7-63.4170.5000106.9H157 R158 I160 Q182 L217H157-I175 CarbonylContact C-O 3.44Å; H157-I175 WeakPolarHBondContact CA-O 3.39Å; H157-I175 WeakPolarHBondContact CB-O 3.5Å; R158-I175 HydrophobicContact CG-CB 3.94Å; R158-I175 HydrophobicContact CG-CD1 4.36Å; R158-I175 PolarHBondContact N-O 2.95Å; R158-I175 PolarHBondContact O-N 3.3Å; I160-I175 HydrophobicContact CD1-CD1 3.83Å; I175-Q182 HydrophobicContact CG1-CB 4.4Å; I175-L217 HydrophobicContact CG1-CD2 4.46Å; I175-L217 HydrophobicContact CG2-CD1 3.93Å; I175-L217 HydrophobicContact CG2-CD2 4.02Å
176F92.4Very high92.5Very high63 Ų6353.4 Ų53.428%0.27629%0.288SS..EExtended strand (participates in β ladder)trans-104.8115.9-179-60-81000109.3H157 Y174 S179 S180 C181 Q183H157-F176 HydrophobicContact CB-CD1 3.81Å; H157-F176 HydrophobicContact CB-CE1 4.14Å; Y174-F176 HydrophobicContact CG-CZ 4.32Å; F176-S179 WeakPolarHBondContact CB-OG 3.14Å; F176-S180 PolarHBondContact O-N 3.04Å; F176-C181 PolarHBondContact N-O 3.14Å; F176-C181 PolarHBondContact O-N 2.75Å; F176-Q183 HydrophobicContact CE2-CB 3.85Å
177Q79.2Confident92.7Very high52 Ų5253.6 Ų53.624%0.24328%0.28CS..THydrogen-bonded Turntrans-69.1-40-171.3-62-171.1-23.300112.2P155 H156 S180 L225P155-Q177 PolarHBondContact O-OE1 2.7Å; H156-Q177 PolarHBondContact O-N 2.85Å; Q177-S180 PolarHBondContact O-N 2.92Å; Q177-L225 HydrophobicContact CB-CD2 4.23Å; Q177-L225 HydrophobicContact CG-CD2 3.8Å
178N81Confident92.6Very high128 Ų12853 Ų5368%0.68428%0.278SS*.THydrogen-bonded Turntrans-75.1-34.6-173-66.5-8.7000113.2
179S78.5Confident92.2Very high71 Ų7155 Ų5550%0.49730%0.296SS..THydrogen-bonded Turntrans-89.9-4.717948.70000113F176 C181F176-S179 WeakPolarHBondContact CB-OG 3.14Å; S179-C181 PolarHBondContact O-N 3.42Å; S179-C181 VanDerWaalsContact O-N 3.14Å; S179-C181 PolarHBondContact OG-SG 3.41Å
180S82.9Confident91.8Very high47 Ų4755 Ų5533%0.32930%0.298SS..THydrogen-bonded Turntrans46.341.7-172.1-63.10000112.2F176 Q177 L217F176-S180 PolarHBondContact O-N 3.04Å; Q177-S180 PolarHBondContact O-N 2.92Å; S180-L217 WeakPolarHBondContact O-CB 3.48Å; S180-L217 PolarHBondContact O-N 2.7Å
181C91.3Very high91.2Very high22 Ų2259.4 Ų59.415%0.14931%0.31CS..EExtended strand (participates in β ladder)trans-127.3158.9178.4750000111.2F176 S179 I214 E215F176-C181 PolarHBondContact N-O 3.14Å; F176-C181 PolarHBondContact O-N 2.75Å; S179-C181 PolarHBondContact O-N 3.42Å; S179-C181 VanDerWaalsContact O-N 3.14Å; S179-C181 PolarHBondContact OG-SG 3.41Å; C181-I214 HydrophobicContact CB-CG2 4.33Å; C181-E215 CarbonylContact C-O 3.51Å; C181-E215 VanDerWaalsContact CA-O 3.23Å; C181-E215 WeakPolarHBondContact CA-O 3.4Å; C181-E215 VanDerWaalsContact CB-O 3.27Å; C181-E215 WeakPolarHBondContact CB-O 3.15Å
182Q94.6Very high90.3Very high38 Ų3852.9 Ų52.918%0.17829%0.289CS..EExtended strand (participates in β ladder)trans-118.8146.4170.462.7175.924.500110.5Y174 I175 I214 E215 L217Y174-Q182 CarbonylContact O-C 3.51Å; Y174-Q182 WeakPolarHBondContact O-CA 3.31Å; Y174-Q182 WeakPolarHBondContact O-CB 3.36Å; I175-Q182 HydrophobicContact CG1-CB 4.4Å; Q182-I214 CarbonylContact O-C 3.48Å; Q182-I214 WeakPolarHBondContact O-CA 3.4Å; Q182-E215 HydrophobicContact CG-CB 4.35Å; Q182-E215 PolarHBondContact N-O 3.4Å; Q182-E215 PolarHBondContact NE2-OE2 3.38Å; Q182-E215 PolarHBondContact O-N 3.45Å; Q182-L217 HydrophobicContact CB-CD2 3.84Å; Q182-L217 HydrophobicContact CG-CD2 4.26Å
183Q96Very high89.1Confident38 Ų3858 Ų5818%0.17832%0.318CS..EExtended strand (participates in β ladder)trans-113.5119168.5-178.3-177.87700109.3R173 Y174 F176 A211 M213 I214R173-Q183 CarbonylContact C-O 3.48Å; R173-Q183 VanDerWaalsContact CA-O 3.25Å; R173-Q183 WeakPolarHBondContact CA-O 3.45Å; Y174-Q183 PolarHBondContact N-O 2.96Å; Y174-Q183 PolarHBondContact O-N 2.92Å; F176-Q183 HydrophobicContact CE2-CB 3.85Å; Q183-A211 HydrophobicContact CG-CB 4.08Å; Q183-M213 CarbonylContact C-O 3.59Å; Q183-M213 VanDerWaalsContact CA-O 3.27Å; Q183-M213 WeakPolarHBondContact CA-O 3.48Å; Q183-I214 HydrophobicContact CB-CG1 4.07Å; Q183-I214 HydrophobicContact CG-CG1 3.88Å
184T97.3Very high87.5Confident37 Ų3757.3 Ų57.323%0.22733%0.329CS..EExtended strand (participates in β ladder)trans-91.3153.1173.760.30000110.4R173 T212 M213R173-T184 HydrophobicContact CB-CG2 4.28Å; T184-T212 PolarHBondContact O-N 3.21Å; T184-M213 PolarHBondContact N-O 3.46Å; T184-M213 PolarHBondContact O-N 3.17Å; T184-M213 PolarHBondContact OG1-O 3.36Å
185G96.8Very high85.8Confident7 Ų762.7 Ų62.77%0.07236%0.36CS..EExtended strand (participates in β ladder)trans175-166.5179.800000112.1K171 G172 W209 K210K171-G185 WeakPolarHBondContact CA-O 3.42Å; G172-G185 PolarHBondContact N-O 2.66Å; G172-G185 PolarHBondContact O-N 2.77Å; G172-G185 VanDerWaalsContact O-O 3.13Å; G185-W209 VanDerWaalsContact CA-CZ2 3.44Å; G185-W209 WeakPolarHBondContact O-CH2 3.29Å; G185-K210 WeakPolarHBondContact CA-O 3.19Å
186E96.8Very high84.1Confident55 Ų5567.7 Ų67.726%0.25739%0.387SS..EExtended strand (participates in β ladder)trans-139.1145178.463.8-171.1175.600112.5G170 L188 W209 K210G170-E186 CarbonylContact O-C 3.51Å; G170-E186 WeakPolarHBondContact O-CA 3.35Å; E186-L188 HydrophobicContact CG-CD2 4.08Å; E186-L188 HydrophobicContact CG-CG 4.29Å; E186-W209 VanDerWaalsContact N-CZ3 3.32Å; E186-K210 HydrophobicContact CG-CB 4.3Å; E186-K210 HydrophobicContact CG-CD 4.48Å; E186-K210 PolarHBondContact N-O 3.27Å; E186-K210 PolarHBondContact O-N 3.05Å; E186-K210 IonicContact OE1-NZ 2.72Å
187Y96.5Very high82.3Confident33 Ų3374.7 Ų74.713%0.12942%0.418CS..EExtended strand (participates in β ladder)trans-87.7122.2168.9-86.9-74.3000110.7F159 V168 G170 Y174 P207 R208 W209F159-Y187 HydrophobicContact CD1-CE2 4.5Å; F159-Y187 HydrophobicContact CD2-CE2 4.25Å; F159-Y187 HydrophobicContact CE1-CD2 4.27Å; F159-Y187 AromaticContact CE1-CE2 3.92Å; F159-Y187 HydrophobicContact CE1-CE2 3.92Å; F159-Y187 HydrophobicContact CE2-CD2 4.03Å; F159-Y187 AromaticContact CE2-CE2 3.61Å; F159-Y187 HydrophobicContact CE2-CE2 3.61Å; F159-Y187 AromaticContact CZ-CD2 3.59Å; F159-Y187 HydrophobicContact CZ-CD2 3.59Å; F159-Y187 AromaticContact CZ-CE2 3.43Å; F159-Y187 HydrophobicContact CZ-CE2 3.43Å; F159-Y187 VanDerWaalsContact CZ-CE2 3.43Å; V168-Y187 HydrophobicContact CB-CD2 4.25Å; V168-Y187 HydrophobicContact CB-CG 4.45Å; V168-Y187 HydrophobicContact CG1-CD1 3.84Å; V168-Y187 HydrophobicContact CG1-CD2 3.83Å; V168-Y187 HydrophobicContact CG1-CE1 3.96Å; V168-Y187 HydrophobicContact CG1-CE2 3.95Å; V168-Y187 HydrophobicContact CG1-CG 3.74Å; V168-Y187 HydrophobicContact CG2-CD2 3.39Å; V168-Y187 HydrophobicContact CG2-CE2 3.76Å; V168-Y187 HydrophobicContact CG2-CG 3.97Å; G170-Y187 PolarHBondContact N-O 3.07Å; G170-Y187 PolarHBondContact O-N 2.8Å; Y174-Y187 PolarHBondContact OH-OH 2.94Å; Y187-P207 HydrophobicContact CD1-CB 3.78Å; Y187-P207 HydrophobicContact CE1-CB 4.25Å; Y187-R208 WeakPolarHBondContact CA-O 3.44Å; Y187-W209 HydrophobicContact CD1-CB 4.23Å; Y187-W209 HydrophobicContact CD1-CE3 4.38Å; Y187-W209 AromaticContact CD2-CE3 3.57Å; Y187-W209 HydrophobicContact CD2-CE3 3.57Å; Y187-W209 AromaticContact CD2-CZ3 3.9Å; Y187-W209 HydrophobicContact CD2-CZ3 3.9Å; Y187-W209 HydrophobicContact CE1-CB 3.78Å; Y187-W209 HydrophobicContact CE1-CE3 4.45Å; Y187-W209 HydrophobicContact CE2-CD2 4.46Å; Y187-W209 AromaticContact CE2-CE3 3.65Å; Y187-W209 HydrophobicContact CE2-CE3 3.65Å; Y187-W209 HydrophobicContact CE2-CZ3 4.12Å; Y187-W209 AromaticContact CG-CE3 3.99Å; Y187-W209 HydrophobicContact CG-CE3 3.99Å
188L92Very high81.1Confident73 Ų7377.4 Ų77.438%0.38244%0.438SS..EExtended strand (participates in β ladder)trans-107.7130.1176.1-58.1177.9000109.6E186 T190 R208 K210E186-L188 HydrophobicContact CG-CD2 4.08Å; E186-L188 HydrophobicContact CG-CG 4.29Å; L188-T190 PolarHBondContact O-N 2.82Å; L188-T190 PolarHBondContact O-OG1 3.39Å; L188-R208 PolarHBondContact N-O 3.34Å; L188-R208 PolarHBondContact O-N 2.87Å; L188-K210 HydrophobicContact CD1-CB 4.36Å; L188-K210 HydrophobicContact CD1-CD 3.89Å
189A87.7Confident79.9Confident60 Ų6079.7 Ų79.750%0.49644%0.444SS..EExtended strand (participates in β ladder)trans-70.1115.5169.900000108.1M205A189-M205 HydrophobicContact CB-CE 3.6Å; A189-M205 WeakPolarHBondContact O-CE 3.25Å
190T87.2Confident78.6Confident46 Ų4685.7 Ų85.728%0.28246%0.464SS..EExtended strand (participates in β ladder)trans-119.1143.6-178.4-50.30000108.8L188 A192 M205 I206 R208L188-T190 PolarHBondContact O-N 2.82Å; L188-T190 PolarHBondContact O-OG1 3.39Å; T190-A192 PolarHBondContact O-N 3.5Å; T190-M205 WeakPolarHBondContact O-CA 3.36Å; T190-I206 PolarHBondContact N-O 2.79Å; T190-I206 WeakPolarHBondContact O-CG1 3.5Å; T190-I206 PolarHBondContact O-N 2.73Å; T190-R208 WeakPolarHBondContact OG1-CB 3.25Å
191Q83.8Confident77.2Confident125 Ų12591.1 Ų91.158%0.58448%0.484SS*.EExtended strand (participates in β ladder)trans-60.9130.5172.9-71.4179-16.100109.7V193 M205Q191-V193 PolarHBondContact O-N 2.84Å; Q191-M205 HydrophobicContact CB-SD 4.4Å; Q191-M205 HydrophobicContact CG-SD 3.68Å
192A78Confident75.5Confident39 Ų3998.8 Ų98.832%0.32252%0.518SS..  trans-60.5123.4170.500000108.9T190 S194 K204 I206T190-A192 PolarHBondContact O-N 3.5Å; A192-S194 PolarHBondContact O-N 2.78Å; A192-K204 WeakPolarHBondContact CB-O 2.9Å; A192-K204 PolarHBondContact N-O 2.62Å; A192-I206 HydrophobicContact CB-CD1 4.34Å; A192-I206 HydrophobicContact CB-CG1 4.36Å; A192-I206 HydrophobicContact CB-CG2 4.14Å
193V72Confident73.9Confident123 Ų123101 Ų10175%0.74554%0.537SS*.  trans-77106.4169.3-176.50000105.8Q191 D195Q191-V193 PolarHBondContact O-N 2.84Å; V193-D195 PolarHBondContact O-N 3.12Å
194S62.2Low73Confident93 Ų93106.6 Ų106.665%0.6556%0.561SS**  trans-73.3108171.256.50000108.1A192 D196A192-S194 PolarHBondContact O-N 2.78Å; S194-D196 PolarHBondContact O-N 2.72Å
195D61.2Low72.4Confident150 Ų150108.7 Ų108.780%0.80257%0.569SS**  trans-72.3-15.2172.8-80.1-20.1000112.2V193V193-D195 PolarHBondContact O-N 3.12Å
196D58.2Low72.1Confident121 Ų121112.2 Ų112.265%0.64759%0.586SS**SBendtrans-113.7140.1-179.5-69-47.1000111.5S194 V198S194-D196 PolarHBondContact O-N 2.72Å; D196-V198 HydrophobicContact CB-CG2 3.84Å; D196-V198 PolarHBondContact O-N 2.82Å
197K55.3Low71.9Confident211 Ų211112.5 Ų112.592%0.91759%0.593SS**  trans-66.839.6176.3-61.6179.8176.8179.70112.8E199K197-E199 PolarHBondContact O-N 2.75Å
198V54.5Low71.8Confident109 Ų109119 Ų11966%0.66162%0.617SS**  trans-74.1117.6174.6-166.70000106.7D196 E200D196-V198 HydrophobicContact CB-CG2 3.84Å; D196-V198 PolarHBondContact O-N 2.82Å; V198-E200 PolarHBondContact O-N 3.22Å
199E54.7Low72Confident175 Ų175118.1 Ų118.182%0.81861%0.609SS**THydrogen-bonded Turntrans-52.2129.5-175-61.6175.5159.900111.4K197 E201K197-E199 PolarHBondContact O-N 2.75Å; E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 2.79Å
200E51.5Low72.4Confident197 Ų197120.5 Ų120.592%0.92161%0.608SS**THydrogen-bonded Turntrans49.924.3152.1-58.2-173.1175.900119.5V198 E202V198-E200 PolarHBondContact O-N 3.22Å; E200-E202 PolarHBondContact O-N 2.84Å; E200-E202 VanDerWaalsContact O-N 3.14Å
201E54Low72.9Confident162 Ų162120.8 Ų120.876%0.75762%0.615SS**  trans-69.7111.6163.3-71.4-87.9153.200108.3E199 S203E199-E201 VanDerWaalsContact C-N 3.27Å; E199-E201 PolarHBondContact O-N 2.79Å; E201-S203 PolarHBondContact O-N 2.89Å
202E55.3Low73.4Confident183 Ų183119.5 Ų119.586%0.85562%0.616SS**  trans-40.9131.5174.4-64.6-176.6157.100110.4E200 K204E200-E202 PolarHBondContact O-N 2.84Å; E200-E202 VanDerWaalsContact O-N 3.14Å; E202-K204 PolarHBondContact O-N 2.92Å
203S61.2Low74.2Confident83 Ų83122.2 Ų122.258%0.5862%0.622SS**  trans-46.695.9-171.5-52.90000112.7E201 M205E201-S203 PolarHBondContact O-N 2.89Å; S203-M205 PolarHBondContact O-N 2.77Å
204K77.6Confident75.3Confident156 Ų156121.6 Ų121.668%0.67861%0.614SS**  trans-72.5113.7-175.5-170.2172.6-176.5172.20109.2A192 E202 I206A192-K204 WeakPolarHBondContact CB-O 2.9Å; A192-K204 PolarHBondContact N-O 2.62Å; E202-K204 PolarHBondContact O-N 2.92Å; K204-I206 PolarHBondContact O-N 2.89Å
205M84.9Confident76.7Confident81 Ų81120.9 Ų120.940%0.39960%0.6SS.*EExtended strand (participates in β ladder)trans-71.1130.3176.5-64.1-64-77.100109.8A189 T190 Q191 S203A189-M205 HydrophobicContact CB-CE 3.6Å; A189-M205 WeakPolarHBondContact O-CE 3.25Å; T190-M205 WeakPolarHBondContact O-CA 3.36Å; Q191-M205 HydrophobicContact CB-SD 4.4Å; Q191-M205 HydrophobicContact CG-SD 3.68Å; S203-M205 PolarHBondContact O-N 2.77Å
206I88.9Confident78.1Confident81 Ų81118.8 Ų118.842%0.41560%0.595SS.*EExtended strand (participates in β ladder)trans-117.9141.7176.258168.9000110.7T190 A192 K204 R208T190-I206 PolarHBondContact N-O 2.79Å; T190-I206 WeakPolarHBondContact O-CG1 3.5Å; T190-I206 PolarHBondContact O-N 2.73Å; A192-I206 HydrophobicContact CB-CD1 4.34Å; A192-I206 HydrophobicContact CB-CG1 4.36Å; A192-I206 HydrophobicContact CB-CG2 4.14Å; K204-I206 PolarHBondContact O-N 2.89Å; I206-R208 PolarHBondContact O-N 2.96Å
207P92.9Very high79.3Confident62 Ų62113.3 Ų113.340%0.40357%0.566SS.*EExtended strand (participates in β ladder)trans-73.6122.9176.528.9-32.7000110.4V168 Y187V168-P207 HydrophobicContact CG1-CB 3.68Å; V168-P207 HydrophobicContact CG1-CG 4.05Å; Y187-P207 HydrophobicContact CD1-CB 3.78Å; Y187-P207 HydrophobicContact CE1-CB 4.25Å
208R94.6Very high80.4Confident169 Ų169106.1 Ų106.164%0.63854%0.542SS*.EExtended strand (participates in β ladder)trans-111.9125.5174.2-173.4175.9-178173.72.5110.3Y187 L188 T190 I206Y187-R208 WeakPolarHBondContact CA-O 3.44Å; L188-R208 PolarHBondContact N-O 3.34Å; L188-R208 PolarHBondContact O-N 2.87Å; T190-R208 WeakPolarHBondContact OG1-CB 3.25Å; I206-R208 PolarHBondContact O-N 2.96Å
209W96.3Very high81.4Confident55 Ų55107 Ų10721%0.20854%0.539CS..EExtended strand (participates in β ladder)trans-76.4128.9175.7-180-120.7000111.1F159 G172 Y174 G185 E186 Y187F159-W209 HydrophobicContact CE2-CH2 4.12Å; F159-W209 AromaticContact CE2-CZ3 3.85Å; F159-W209 HydrophobicContact CE2-CZ3 3.85Å; G172-W209 WeakPolarHBondContact O-CH2 3.37Å; Y174-W209 AromaticContact CD2-CE2 3.93Å; Y174-W209 HydrophobicContact CD2-CH2 4.37Å; Y174-W209 AromaticContact CD2-CZ2 3.86Å; Y174-W209 HydrophobicContact CD2-CZ2 3.86Å; Y174-W209 HydrophobicContact CE2-CD2 4.11Å; Y174-W209 AromaticContact CE2-CE2 3.97Å; Y174-W209 HydrophobicContact CE2-CG 4.44Å; Y174-W209 HydrophobicContact CE2-CZ2 4.24Å; G185-W209 VanDerWaalsContact CA-CZ2 3.44Å; G185-W209 WeakPolarHBondContact O-CH2 3.29Å; E186-W209 VanDerWaalsContact N-CZ3 3.32Å; Y187-W209 HydrophobicContact CD1-CB 4.23Å; Y187-W209 HydrophobicContact CD1-CE3 4.38Å; Y187-W209 AromaticContact CD2-CE3 3.57Å; Y187-W209 HydrophobicContact CD2-CE3 3.57Å; Y187-W209 AromaticContact CD2-CZ3 3.9Å; Y187-W209 HydrophobicContact CD2-CZ3 3.9Å; Y187-W209 HydrophobicContact CE1-CB 3.78Å; Y187-W209 HydrophobicContact CE1-CE3 4.45Å; Y187-W209 HydrophobicContact CE2-CD2 4.46Å; Y187-W209 AromaticContact CE2-CE3 3.65Å; Y187-W209 HydrophobicContact CE2-CE3 3.65Å; Y187-W209 HydrophobicContact CE2-CZ3 4.12Å; Y187-W209 AromaticContact CG-CE3 3.99Å; Y187-W209 HydrophobicContact CG-CE3 3.99Å
210K96.6Very high82.2Confident110 Ų110105.3 Ų105.348%0.47853%0.531SS..EExtended strand (participates in β ladder)trans-115.997.2171.6-177.2-175.1170.4-163.60108.9G185 E186 L188G185-K210 WeakPolarHBondContact CA-O 3.19Å; E186-K210 HydrophobicContact CG-CB 4.3Å; E186-K210 HydrophobicContact CG-CD 4.48Å; E186-K210 PolarHBondContact N-O 3.27Å; E186-K210 PolarHBondContact O-N 3.05Å; E186-K210 IonicContact OE1-NZ 2.72Å; L188-K210 HydrophobicContact CD1-CB 4.36Å; L188-K210 HydrophobicContact CD1-CD 3.89Å
211A96.8Very high82.9Confident52 Ų5297.5 Ų97.543%0.4350%0.5SS..EExtended strand (participates in β ladder)trans-62.7139.8175.800000110.8Q183Q183-A211 HydrophobicContact CG-CB 4.08Å
212T95.7Very high83.6Confident98 Ų9892.7 Ų92.760%0.60148%0.477SS*.EExtended strand (participates in β ladder)trans-113.3-48.4179.3-59.90000111.5T184T184-T212 PolarHBondContact O-N 3.21Å
213M94.4Very high83.7Confident95 Ų9591.2 Ų91.247%0.46846%0.464SS..EExtended strand (participates in β ladder)trans-152148.7-175.9-157.1179.1-40.900111.3Q183 T184 E215Q183-M213 CarbonylContact C-O 3.59Å; Q183-M213 VanDerWaalsContact CA-O 3.27Å; Q183-M213 WeakPolarHBondContact CA-O 3.48Å; T184-M213 PolarHBondContact N-O 3.46Å; T184-M213 PolarHBondContact O-N 3.17Å; T184-M213 PolarHBondContact OG1-O 3.36Å; M213-E215 HydrophobicContact CG-CG 3.99Å; M213-E215 HydrophobicContact SD-CG 3.79Å
214I93.7Very high83.7Confident111 Ų11190.7 Ų90.757%0.56946%0.461SS*.EExtended strand (participates in β ladder)trans-115.7128.4169.2-58.4174.4000107.5C181 Q182 Q183C181-I214 HydrophobicContact CB-CG2 4.33Å; Q182-I214 CarbonylContact O-C 3.48Å; Q182-I214 WeakPolarHBondContact O-CA 3.4Å; Q183-I214 HydrophobicContact CB-CG1 4.07Å; Q183-I214 HydrophobicContact CG-CG1 3.88Å
215E92.3Very high82.8Confident77 Ų7785.4 Ų85.436%0.3644%0.439SS..EExtended strand (participates in β ladder)trans-135.6148.9-177.1-63.8176.1116.800110.2C181 Q182 M213C181-E215 CarbonylContact C-O 3.51Å; C181-E215 VanDerWaalsContact CA-O 3.23Å; C181-E215 WeakPolarHBondContact CA-O 3.4Å; C181-E215 VanDerWaalsContact CB-O 3.27Å; C181-E215 WeakPolarHBondContact CB-O 3.15Å; Q182-E215 HydrophobicContact CG-CB 4.35Å; Q182-E215 PolarHBondContact N-O 3.4Å; Q182-E215 PolarHBondContact NE2-OE2 3.38Å; Q182-E215 PolarHBondContact O-N 3.45Å; M213-E215 HydrophobicContact CG-CG 3.99Å; M213-E215 HydrophobicContact SD-CG 3.79Å
216P90.9Very high81.5Confident106 Ų10685 Ų8569%0.68844%0.442SS*.EExtended strand (participates in β ladder)trans-57.5145.4166.1-20.832.9000111.2
217L83.1Confident79.7Confident6 Ų684.3 Ų84.33%0.03144%0.439CS..PPolyproline II helixtrans-64.9143.3169.6-69.6172.5000109.4I175 S180 Q182 A221 K222I175-L217 HydrophobicContact CG1-CD2 4.46Å; I175-L217 HydrophobicContact CG2-CD1 3.93Å; I175-L217 HydrophobicContact CG2-CD2 4.02Å; S180-L217 WeakPolarHBondContact O-CB 3.48Å; S180-L217 PolarHBondContact O-N 2.7Å; Q182-L217 HydrophobicContact CB-CD2 3.84Å; Q182-L217 HydrophobicContact CG-CD2 4.26Å; L217-A221 HydrophobicContact CB-CB 4.34Å; L217-A221 HydrophobicContact CD2-CB 4.42Å; L217-K222 HydrophobicContact CB-CG 4Å; L217-K222 WeakPolarHBondContact O-CE 3.08Å
218S78.8Confident77.7Confident60 Ų6086.3 Ų86.342%0.4245%0.445SS..PPolyproline II helixtrans-64.4155.317284.90000110.7E220 A221 K222S218-E220 WeakPolarHBondContact CB-OE2 3.22Å; S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 PolarHBondContact OG-OE2 2.88Å; S218-A221 PolarHBondContact O-N 2.92Å; S218-A221 VanDerWaalsContact O-N 3.08Å; S218-A221 PolarHBondContact OG-N 3.27Å; S218-K222 WeakPolarHBondContact O-CG 3.33Å; S218-K222 PolarHBondContact O-N 2.78Å
219E75.9Confident75.7Confident127 Ų12785 Ų8559%0.59344%0.444SS*.Hα-helixtrans-59.2-34.3179.1-66.8-57.9138.100111.8K222 Y223E219-K222 PolarHBondContact O-N 2.91Å; E219-K222 IonicContact OE1-NZ 3.85Å; E219-K222 PolarHBondContact OE1-NZ 2.98Å; E219-K222 IonicContact OE2-NZ 3.12Å; E219-Y223 PolarHBondContact O-N 3.32Å
220E70.2Confident73.4Confident141 Ų14189.4 Ų89.466%0.65947%0.467SS*.Hα-helixtrans-66.5-41175.1-52.776.8-164.800111.8S218 Y223 S224S218-E220 WeakPolarHBondContact CB-OE2 3.22Å; S218-E220 PolarHBondContact O-N 3.12Å; S218-E220 PolarHBondContact OG-OE2 2.88Å; E220-Y223 PolarHBondContact O-N 2.96Å; E220-S224 PolarHBondContact O-N 3.19Å
221A67.7Low70.7Confident32 Ų3289.7 Ų89.726%0.26448%0.479SS..Hα-helixtrans-66.9-38.7177.100000111.1L217 S218 S224 L225L217-A221 HydrophobicContact CB-CB 4.34Å; L217-A221 HydrophobicContact CD2-CB 4.42Å; S218-A221 PolarHBondContact O-N 2.92Å; S218-A221 VanDerWaalsContact O-N 3.08Å; S218-A221 PolarHBondContact OG-N 3.27Å; A221-S224 PolarHBondContact O-N 2.81Å; A221-L225 WeakPolarHBondContact O-CD1 2.97Å; A221-L225 PolarHBondContact O-N 2.8Å
222K66.9Low68.1Low62 Ų6293.1 Ų93.127%0.2749%0.494SS..Hα-helixtrans-61.8-44.7174-67.3175.9-169168.60111.6L217 S218 E219 S224 L225 T226L217-K222 HydrophobicContact CB-CG 4Å; L217-K222 WeakPolarHBondContact O-CE 3.08Å; S218-K222 WeakPolarHBondContact O-CG 3.33Å; S218-K222 PolarHBondContact O-N 2.78Å; E219-K222 PolarHBondContact O-N 2.91Å; E219-K222 IonicContact OE1-NZ 3.85Å; E219-K222 PolarHBondContact OE1-NZ 2.98Å; E219-K222 IonicContact OE2-NZ 3.12Å; K222-S224 VanDerWaalsContact C-N 3.34Å; K222-S224 PolarHBondContact O-N 2.88Å; K222-L225 WeakPolarHBondContact O-CB 3.23Å; K222-L225 PolarHBondContact O-N 2.97Å; K222-T226 PolarHBondContact O-N 3.44Å; K222-T226 VanDerWaalsContact O-N 3.11Å
223Y59.2Low65.2Low152 Ų15292.9 Ų92.960%0.59650%0.496SS*.Hα-helixtrans-63.9-37.8178.9-170.8-102.9000112.6E219 E220 L225 T226 N227E219-Y223 PolarHBondContact O-N 3.32Å; E220-Y223 PolarHBondContact O-N 2.96Å; Y223-L225 VanDerWaalsContact C-N 3.26Å; Y223-L225 PolarHBondContact O-N 2.77Å; Y223-T226 WeakPolarHBondContact CA-OG1 3.48Å; Y223-T226 PolarHBondContact O-N 2.9Å; Y223-T226 PolarHBondContact O-OG1 2.94Å; Y223-N227 WeakPolarHBondContact CE1-ND2 3.17Å; Y223-N227 PolarHBondContact O-N 2.97Å
224S60.9Low62.6Low72 Ų7297.3 Ų97.350%0.50352%0.516SS..Hα-helixtrans-64-31.4172.7-172.50000112.5E220 A221 K222 L228E220-S224 PolarHBondContact O-N 3.19Å; A221-S224 PolarHBondContact O-N 2.81Å; K222-S224 VanDerWaalsContact C-N 3.34Å; K222-S224 PolarHBondContact O-N 2.88Å; S224-L228 WeakPolarHBondContact O-CD1 3.39Å
225L58.7Low59.9Low44 Ų44101.3 Ų101.323%0.2353%0.532CS..Hα-helixtrans-73.4-34.4175.8-93.685000112.7Q177 A221 K222 Y223Q177-L225 HydrophobicContact CB-CD2 4.23Å; Q177-L225 HydrophobicContact CG-CD2 3.8Å; A221-L225 WeakPolarHBondContact O-CD1 2.97Å; A221-L225 PolarHBondContact O-N 2.8Å; K222-L225 WeakPolarHBondContact O-CB 3.23Å; K222-L225 PolarHBondContact O-N 2.97Å; Y223-L225 VanDerWaalsContact C-N 3.26Å; Y223-L225 PolarHBondContact O-N 2.77Å
226T56.4Low57.2Low74 Ų74106.9 Ų106.945%0.45456%0.555SS.*Hα-helixtrans-71.3-42.4-178.847.90000112.3K222 Y223 L228 K229K222-T226 PolarHBondContact O-N 3.44Å; K222-T226 VanDerWaalsContact O-N 3.11Å; Y223-T226 WeakPolarHBondContact CA-OG1 3.48Å; Y223-T226 PolarHBondContact O-N 2.9Å; Y223-T226 PolarHBondContact O-OG1 2.94Å; T226-L228 PolarHBondContact O-N 3.36Å; T226-K229 PolarHBondContact O-N 2.94Å
227N52.8Low54.5Low66 Ų66107.4 Ų107.435%0.35356%0.558SS.*Hα-helixtrans-65.4-22.6-178.9-70.74.7000112.9Y223 K229Y223-N227 WeakPolarHBondContact CE1-ND2 3.17Å; Y223-N227 PolarHBondContact O-N 2.97Å; N227-K229 VanDerWaalsContact C-N 3.35Å
228L50.8Low52.1Low103 Ų103114 Ų11454%0.53960%0.599SS.*Hα-helixtrans-73.9-21.2173.7-102.5136.1000113.6S224 T226 T231S224-L228 WeakPolarHBondContact O-CD1 3.39Å; T226-L228 PolarHBondContact O-N 3.36Å; L228-T231 PolarHBondContact O-OG1 2.81Å
229K52.4Low50.1Low142 Ų142119.6 Ų119.662%0.61762%0.619SS**Hα-helixtrans-82.3-35.4176.6-73.4-174.2176.9-178.70112.4T226 N227 T231 V232T226-K229 PolarHBondContact O-N 2.94Å; N227-K229 VanDerWaalsContact C-N 3.35Å; K229-T231 VanDerWaalsContact C-N 3.3Å; K229-T231 PolarHBondContact O-N 3.14Å; K229-V232 PolarHBondContact O-N 3.45Å
230E48Very low48Very low148 Ų148123.1 Ų123.169%0.69264%0.635SS**Hα-helixtrans-69.4-25.8-177.7-80.7-176.7161.400113.2V232E230-V232 VanDerWaalsContact C-N 3.25Å; E230-V232 PolarHBondContact O-N 2.9Å
231T39.1Very low46.2Very low116 Ų116124.1 Ų124.171%0.71264%0.643SS**THydrogen-bonded Turntrans-78.70.1179.457.10000114.7L228 K229L228-T231 PolarHBondContact O-OG1 2.81Å; K229-T231 VanDerWaalsContact C-N 3.3Å; K229-T231 PolarHBondContact O-N 3.14Å
232V41.4Very low44.5Very low124 Ų124127.7 Ų127.775%0.75267%0.667SS**THydrogen-bonded Turntrans-114.20.7-177.1-174.40000112.9K229 E230K229-V232 PolarHBondContact O-N 3.45Å; E230-V232 VanDerWaalsContact C-N 3.25Å; E230-V232 PolarHBondContact O-N 2.9Å
233S35.8Very low42.6Very low93 Ų93133.8 Ų133.865%0.6570%0.696SS**  trans-109.415.6-171.655.60000117.2
234E38.8Very low41.5Very low187 Ų187135.5 Ų135.587%0.87471%0.709SS**  trans-110.460.9176.2-68.5-166.2168.500113.5
235E38.1Very low40.2Very low195 Ų195140.2 Ų140.291%0.91173%0.729SS**  trans-118.497.4154.9-75.6-167.1171.600108.8
236K35.1Very low39Very low194 Ų194147.4 Ų147.484%0.84376%0.758SS**PPolyproline II helixtrans-78.9137.2172.6-125.6-178.3-179.7-176.90108.8T238K236-T238 PolarHBondContact O-N 3.03Å
237P34Very low37.7Very low117 Ų117149.7 Ų149.776%0.7677%0.772SS**PPolyproline II helixtrans-73.9118.9-178.929.1-32.1000110.3
238T32.8Very low36.8Very low144 Ų144155.6 Ų155.688%0.88379%0.794SS**PPolyproline II helixtrans-74.6124.5171.8-11.70000109.3K236K236-T238 PolarHBondContact O-N 3.03Å
239Q37.2Very low35.8Very low179 Ų179156.4 Ų156.484%0.83680%0.804SS**PPolyproline II helixtrans-71.1145.1-176.1-68.5-179.8-3800112.5I241Q239-I241 PolarHBondContact O-N 3.16Å
240E30.6Very low35Very low200 Ų200158.2 Ų158.294%0.93581%0.811SS**PPolyproline II helixtrans-50.6123.1170.1-64175.2147.300111.4
241I32.9Very low34.1Very low162 Ų162158.8 Ų158.883%0.83181%0.814SS**  trans-118.8125.7162.2-61.9177.3000107.1Q239Q239-I241 PolarHBondContact O-N 3.16Å
242S32.4Very low33.7Very low108 Ų108159.1 Ų159.176%0.75582%0.816SS**  trans-57.2146-172.648.90000115.2E244S242-E244 PolarHBondContact O-N 3.37Å
243E27Very low33.2Very low189 Ų189159.7 Ų159.788%0.88382%0.815SS**  trans-61.9117.1164.8-57.7179.915900111
244E35.4Very low33.4Very low188 Ų188162.2 Ų162.288%0.87982%0.821SS**  trans-176.691.4151.5-106.3172.6-163.300108.7S242S242-E244 PolarHBondContact O-N 3.37Å
245D34.5Very low33.4Very low172 Ų172160.1 Ų160.192%0.9282%0.816SS**  trans-161.3116.5131.2-113.7-24.9000111.4
246K33.8Very low33.2Very low194 Ų194158.3 Ų158.384%0.84381%0.812SS**  trans-86132.9-178.7-82175.3175.9171.20110.3
247V29.1Very low33.4Very low123 Ų123157 Ų15775%0.74582%0.815SS**  trans54.4106.4135.3-172.20000117
248K33.3Very low33.5Very low189 Ų189158.3 Ų158.382%0.82282%0.815SS**  trans-144.384.2145-146.5170.2-171172.90111.2K250K248-K250 PolarHBondContact O-N 2.98Å
249V30Very low33.8Very low121 Ų121158 Ų15873%0.73381%0.808SS**  trans-66.2115.5164.7177.50000107.5Q251V249-Q251 HydrophobicContact CG1-CG 4.5Å
250K34.6Very low33.6Very low179 Ų179155.4 Ų155.478%0.77880%0.8SS**  trans-116.8101.1161.8-98.4-171.3170.1-168.70107.1K248K248-K250 PolarHBondContact O-N 2.98Å
251Q29.4Very low34Very low161 Ų161153.9 Ų153.975%0.75279%0.793SS**  trans-70.9124.8156-76.6174.4-57.400107.7V249V249-Q251 HydrophobicContact CG1-CG 4.5Å
252T30.9Very low34Very low123 Ų123152.3 Ų152.376%0.75579%0.791SS**  trans-139.8100.2150.446.90000105.3
253D31.1Very low34.4Very low135 Ų135155.9 Ų155.972%0.72280%0.796SS**  trans-58.6134.1154.3-51.8-61.2000107.3
254D39.5Very low34.9Very low146 Ų146152.3 Ų152.378%0.78179%0.789SS**  trans-165.3110.5155.1-84.8-32.5000108.8
255D38.5Very low34.9Very low144 Ų144149.4 Ų149.477%0.7779%0.785SS**  trans65.7105.3137.3-57-24.9000122.4
256D33.8Very low35Very low156 Ų156147.9 Ų147.983%0.83478%0.777SS**  7.3116.7127.2-90.3-33.5000117
257D41.1Very low35.2Very low167 Ų167145.1 Ų145.189%0.89377%0.771SS**  trans-131.898147.2-115.7-22.6000110.3N259D257-N259 PolarHBondContact O-N 2.98Å
258N35.8Very low35.7Very low144 Ų144145.4 Ų145.477%0.7777%0.768SS**  trans-69100.2172.5178.68.9000109.4
259N39.6Very low35.9Very low138 Ų138144 Ų14474%0.73877%0.77SS**  trans-108.698168.6-160.313.1000111.5D257 Q261D257-N259 PolarHBondContact O-N 2.98Å; N259-Q261 PolarHBondContact O-N 3.31Å
260N31.7Very low36.5Very low125 Ų125144.3 Ų144.367%0.66877%0.771SS**  trans-67.7107.8168.6-173.216.6000110.1
261Q38.6Very low36.6Very low167 Ų167142.8 Ų142.878%0.7877%0.772SS**  trans-132.2112.6157.3-79.9-167.4-6.500111N259N259-Q261 PolarHBondContact O-N 3.31Å
262T33.1Very low36.9Very low129 Ų129146.2 Ų146.279%0.79178%0.778SS**PPolyproline II helixtrans-75119.4173.84.30000108.4
263E41Very low37.3Very low183 Ų183144.5 Ų144.586%0.85577%0.771SS**PPolyproline II helixtrans-102.9136.8165.6-75.2-118.6148.600109.7
264P37.8Very low37.4Very low114 Ų114147 Ų14774%0.7478%0.778SS**PPolyproline II helixtrans-85138.9-170.933.4-32.5000112.5N266P264-N266 PolarHBondContact O-N 2.96Å
265T34.7Very low37.3Very low128 Ų128151.6 Ų151.679%0.78579%0.785SS**PPolyproline II helixtrans-57123.6168.150.20000110.9
266N37.6Very low37Very low140 Ų140148.2 Ų148.275%0.74978%0.784SS**  trans-117.791.2170.3-164.815.1000108.7P264 N268P264-N266 PolarHBondContact O-N 2.96Å; N266-N268 PolarHBondContact O-N 3.01Å
267D37.2Very low37Very low135 Ų135149.4 Ų149.472%0.72279%0.785SS**  trans-67.1114.8170.6-63.9-43000109
268N40.2Very low36.8Very low129 Ų129147 Ų14769%0.6978%0.776SS**  trans-128.687.8160.5-87.5-55.3000108.1N266 V270N266-N268 PolarHBondContact O-N 3.01Å; N268-V270 PolarHBondContact O-N 2.6Å
269D36.9Very low36.7Very low160 Ų160145.9 Ų145.986%0.85677%0.769SS**  trans-58.1110.1160.5-69.2-47.4000109.2
270V44.1Very low36.7Very low127 Ų127146.9 Ų146.977%0.7777%0.77SS**  trans-117.894.5163.6-177.50000108.2N268 R272N268-V270 PolarHBondContact O-N 2.6Å; V270-R272 PolarHBondContact O-N 2.65Å
271D35.3Very low36.9Very low148 Ų148149.2 Ų149.279%0.79177%0.774SS**  trans-40.5120.4159.9-175.211.1000111.2
272R37.1Very low36.8Very low233 Ų233148 Ų14888%0.87977%0.773SS**  trans-131.796169.8-148.4175.7-168.4160.34.5109.8V270V270-R272 PolarHBondContact O-N 2.65Å
273S37.9Very low36.8Very low87 Ų87147.6 Ų147.661%0.60877%0.77SS**  trans-58.4143.6171.241.50000114.3
274E34.6Very low36.4Very low186 Ų186145.7 Ų145.787%0.86976%0.764SS**  trans51106.4141-62.7-178.3166.100119.1
275R37.3Very low36.1Very low243 Ų243148.7 Ų148.792%0.91777%0.768SS**  trans-133.999.4152.4-76.1-169.4177-166-1.2111.6
276G32.6Very low36.1Very low73 Ų73148.3 Ų148.375%0.75377%0.766SS**  5494.7122.100000118.6
277E32.7Very low36Very low182 Ų182149.2 Ų149.285%0.8577%0.771SS**  trans-53.3126.9156.1-171.1176.4174.700111.9
278V37.8Very low35.9Very low116 Ų116150.7 Ų150.770%0.70378%0.779SS**  trans-132.798.6166.3-177.30000108.7Q280V278-Q280 HydrophobicContact CG1-CG 4.27Å
279D33.6Very low35.9Very low120 Ų120149.4 Ų149.464%0.64278%0.78SS**  trans-68.3120.4165.9-117.3-20.1000109.4
280Q38Very low35.9Very low160 Ų160150.9 Ų150.975%0.74878%0.779SS**  trans-129.4102.1162-75.5-175.324.700109.3V278V278-Q280 HydrophobicContact CG1-CG 4.27Å
281K36.6Very low35.6Very low173 Ų173152 Ų15275%0.75278%0.78SS**  trans-91.697.8169.5-71.4174.7178.9168.60108.2
282D36Very low35.6Very low141 Ų141152 Ų15275%0.75478%0.781SS**  trans-100.298.4166.4-81.2-26.1000109.7
283V34.2Very low35.6Very low122 Ų122147.7 Ų147.774%0.73978%0.775SS**  trans-83.3105168.9175.50000107Q285V283-Q285 HydrophobicContact CG1-CG 4.29Å
284I32.7Very low35.3Very low143 Ų143150.9 Ų150.973%0.73379%0.785SS**  trans-106.297.2169.5-58.2179.3000107.7T286I284-T286 HydrophobicContact CG2-CG2 4.08Å
285Q31.4Very low35.3Very low177 Ų177149.2 Ų149.283%0.82778%0.78SS**  trans-77.3125160.6-72.9-179.1-48.700108V283V283-Q285 HydrophobicContact CG1-CG 4.29Å
286T34.2Very low35.1Very low120 Ų120143.2 Ų143.274%0.73677%0.771SS**  trans-118.2111.7161.950.20000108I284I284-T286 HydrophobicContact CG2-CG2 4.08Å
287D35.8Very low35Very low159 Ų159147.6 Ų147.685%0.8577%0.772SS**  trans-64.3127.8173.2-90.2-41.6000111S289D287-S289 PolarHBondContact O-N 3.27Å
288D34.5Very low34.9Very low165 Ų165146.5 Ų146.588%0.88277%0.772SS**  trans-76.690.1167.8-74.3-45.2000109.8
289S40.8Very low34.6Very low103 Ų103149.5 Ų149.572%0.7278%0.776SS**  trans-89.9115.7168.358.60000110.9D287 D291D287-S289 PolarHBondContact O-N 3.27Å; S289-D291 PolarHBondContact O-N 2.76Å
290K36.1Very low34.7Very low191 Ų191149.1 Ų149.183%0.8378%0.782SS**  trans-60.6119.9171.5-65.2165.3178168.90110.9
291D38.4Very low34.3Very low149 Ų149145.9 Ų145.980%0.79778%0.783SS**  trans-103.4100.8163.4-86.7-26.8000109.4S289 N293S289-D291 PolarHBondContact O-N 2.76Å; D291-N293 PolarHBondContact O-N 2.85Å
292D34.4Very low34.3Very low150 Ų150146.9 Ų146.980%0.80279%0.787SS**  trans-70.2113.9162-69.1-48.1000108.5
293N37.5Very low34.1Very low142 Ų142147.7 Ų147.776%0.75979%0.791SS**  trans-128.293163.6-96-37000110.2D291 I295D291-N293 PolarHBondContact O-N 2.85Å; N293-I295 PolarHBondContact O-N 2.78Å
294D32.4Very low34.1Very low154 Ų154149.4 Ų149.482%0.82480%0.797SS**  trans-68.3103.6166.7-161.13.4000108.5
295I35.4Very low34Very low150 Ų150151.8 Ų151.877%0.76981%0.805SS**  trans-112.3104.1172.8-62.5-179.4000108.4N293N293-I295 PolarHBondContact O-N 2.78Å
296T32.6Very low34Very low118 Ų118149.4 Ų149.472%0.72480%0.802SS**  trans-54136.7175.5440000114N298T296-N298 PolarHBondContact O-N 2.77Å
297E29.8Very low33.8Very low164 Ų164149.5 Ų149.577%0.76680%0.804SS**  trans-44.3125.4167.3-63.6-175.2153.700112.7K299E297-K299 IonicContact OE2-NZ 3.04Å
298N31.5Very low33.6Very low160 Ų160150.9 Ų150.986%0.85680%0.803SS**  trans-115.7100.1162.6-151.23.1000109.3T296 S300T296-N298 PolarHBondContact O-N 2.77Å; N298-S300 PolarHBondContact O-N 2.9Å
299K31.4Very low33.3Very low178 Ų178149.1 Ų149.177%0.77480%0.801SS**  trans-75.7110.7171-70174.2-178.71670108.4E297E297-K299 IonicContact OE2-NZ 3.04Å
300S35Very low33Very low112 Ų112153.6 Ų153.678%0.78381%0.81SS**  trans-144.8104.5155.3-171.10000110.1N298N298-S300 PolarHBondContact O-N 2.9Å
301A29.6Very low32.7Very low92 Ų92148 Ų14876%0.7681%0.807SS**  trans-61.4134.2165.500000110.4
302K36.5Very low32.4Very low195 Ų195147.6 Ų147.685%0.84881%0.81SS**  trans-149.7120.7147.4-129.6176.3-178-1780109D304K302-D304 PolarHBondContact O-N 3.24Å
303N31.1Very low32.2Very low157 Ų157147 Ų14784%0.8481%0.811SS**  trans-62123.5176.7-58.1-40.8000108.9
304D35Very low32.3Very low159 Ų159149 Ų14985%0.8582%0.816SS**  trans-120.4126.5158.8-79.2-40.6000108.9K302K302-D304 PolarHBondContact O-N 3.24Å
305E30.4Very low32.4Very low192 Ų192150.6 Ų150.690%0.89782%0.818SS**PPolyproline II helixtrans-74.4133.2-160.6-142.6170159.200111.1P307E305-P307 WeakPolarHBondContact O-CD 3.01Å
306V31.4Very low32.4Very low128 Ų128152.3 Ų152.378%0.77682%0.823SS**PPolyproline II helixtrans-71.1123174.7176.50000109.2K308V306-K308 PolarHBondContact O-N 2.93Å
307P31.2Very low32.7Very low121 Ų121155.4 Ų155.479%0.78683%0.83SS**PPolyproline II helixtrans-74.4116.7173.128.8-30000109.5E305E305-P307 WeakPolarHBondContact O-CD 3.01Å
308K29.8Very low32.9Very low188 Ų188155.9 Ų155.982%0.81783%0.832SS**PPolyproline II helixtrans-76.6136.8165.6-86.8-177.8175.7179.90109.6V306 Q310V306-K308 PolarHBondContact O-N 2.93Å; K308-Q310 PolarHBondContact O-N 3.41Å
309P30Very low33.4Very low129 Ų129155.8 Ų155.884%0.83883%0.826SS**PPolyproline II helixtrans-68.4127.6172.227.1-30.4000110.3
310Q33.4Very low33.8Very low197 Ų197155.3 Ų155.392%0.92183%0.827SS**PPolyproline II helixtrans-79.3144.5168.3-70.9-176.6-4600109.8K308K308-Q310 PolarHBondContact O-N 3.41Å
311G29.8Very low34.4Very low73 Ų73157.1 Ų157.175%0.75383%0.827SS**  trans-79.6174.9-161.200000116.7
312T31.4Very low35.1Very low140 Ų140159.9 Ų159.986%0.85983%0.83SS**  trans-137.4125.5154.237.80000107.3
313V32Very low35.2Very low139 Ų139157.6 Ų157.684%0.84283%0.827SS**  trans-94123.8176.3172.30000106.1
314E38.8Very low36.2Very low183 Ų183158.8 Ų158.886%0.85583%0.827SS**  trans-137.491.4163.7-70.4-173.4166.200104.9
315E35.3Very low36.5Very low187 Ų187154.4 Ų154.487%0.87482%0.819SS**  65.799.7105.6-86.8-171171.100113
316E33.9Very low37.6Very low186 Ų186152.7 Ų152.787%0.86982%0.817SS**  trans-68121.3170.1-63.1169155.500108.8
317Q38.6Very low38.5Very low184 Ų184154 Ų15486%0.8682%0.82SS**  trans-107.5103.6160.2-87.5-176.6-24.200107.8E319Q317-E319 PolarHBondContact O-N 2.95Å
318E35.6Very low39.4Very low173 Ų173155.9 Ų155.981%0.80882%0.823SS**  trans-69.7111.4163.1-64.1175.6152.300107.6
319E41.6Very low40.5Very low159 Ų159154 Ų15474%0.74382%0.822SS**  trans-110.1102.1157.4-66.4-132.9156.500107.3Q317Q317-E319 PolarHBondContact O-N 2.95Å
320E39.3Very low41.2Very low168 Ų168153.1 Ų153.179%0.78581%0.814SS**  trans-71.8111.5161.5-62.7-171.115500106.9
321D48.7Very low41.7Very low149 Ų149152.5 Ų152.580%0.79781%0.811SS**  trans-109.2121.3163.9-91.5-28.9000108.9
322D42.6Very low42.5Very low151 Ų151159.5 Ų159.581%0.80784%0.839SS**  trans-66.1148.7-171-74.7-54.2000114.4
323D39.4Very low43.1Very low147 Ų147160.5 Ų160.579%0.78684%0.838SS**  trans-42.6117163.4-164.716.6000114.6
324E52.2Low43.7Very low181 Ų181161.6 Ų161.685%0.84684%0.837SS**  trans-138.5100.6147.5-75.1-157.7174.900109.6
325G41.2Very low44Very low67 Ų67160.4 Ų160.469%0.69184%0.836SS**  trans-73.3124.7161.300000110.2
326D54.2Low44.5Very low157 Ų157158.8 Ų158.884%0.8483%0.834SS**  trans-108.9114.1162.9-92.3-30.8000109.4
327D49.9Very low45.1Very low156 Ų156157.1 Ų157.183%0.83483%0.832SS**  trans-58.1134.1175.6-77.6-46.7000113.1N329D327-N329 PolarHBondContact O-N 3.27Å
328D50.6Low45.6Very low159 Ų159155.3 Ų155.385%0.8583%0.83SS**  3587.1127.5-130.83.9000117.2T330D328-T330 PolarHBondContact O-N 3.33Å
329N52.8Low46.3Very low150 Ų150154.1 Ų154.180%0.80283%0.832SS**  trans-93.391.7165-170.820.7000110.9D327D327-N329 PolarHBondContact O-N 3.27Å
330T44.5Very low46.6Very low109 Ų109153.7 Ų153.767%0.66984%0.838SS**  trans34.5121.3134.12.30000120.5D328D328-T330 PolarHBondContact O-N 3.33Å
331E42.6Very low47.3Very low184 Ų184152.5 Ų152.586%0.8684%0.843SS**  trans-31.8134.7154.6-66.4177131.700115.2
332V48.4Very low47.1Very low220 Ų220152.8 Ų152.8100%1.33385%0.847SS**  -1440128.5-176.30000109.3

Retrieved 332 of 332 residues in 107.3 ms (Link to these results)

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