A0A077ZFN5_TRITR Loading...

Protein quiver

AlphaFold DB , UniProt , Accession A0A077ZFN5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M39.3Very low45.4Very low229 Ų229158.8 Ų158.8100%1.12884%0.84SS**  0103.10-69.1175.8-160.500107.1
2V43.3Very low46.4Very low128 Ų128154.8 Ų154.878%0.77682%0.817SS**  trans-94130.21771740000105.8P4V2-P4 HydrophobicContact CG1-CG 4.48Å
3Y47.4Very low47Very low218 Ų218157.5 Ų157.586%0.85582%0.818SS**  trans-110.6116162-75.5-78.6000108
4P43.8Very low47.6Very low104 Ų104155.5 Ų155.568%0.67581%0.808SS**  trans-109.3128.6174.835.4-23.8000111.5V2V2-P4 HydrophobicContact CG1-CG 4.48Å
5I52.9Low48.3Very low178 Ų178150.6 Ų150.691%0.91380%0.8SS**  trans-167.9117.416212172.7000104.8
6G41.7Very low49.5Very low69 Ų69151.4 Ų151.471%0.71180%0.803SS**  12287.551.700000107.8
7S44.4Very low51Low124 Ų124144.1 Ų144.187%0.86777%0.767SS**  trans24.896.3157.8-176.40000119.1
8K49.1Very low53.2Low195 Ų195137.2 Ų137.285%0.84873%0.73SS**  trans-151.6122.2156.2-67.4-165.4172.4-179.60111
9F48.6Very low55.2Low209 Ų209131.5 Ų131.592%0.91770%0.701SS**  trans29.199.9162-73.3-91.9000118.4N11F9-N11 PolarHBondContact O-N 3.27Å
10L45.5Very low57.2Low156 Ų156124.9 Ų124.982%0.81767%0.666SS**  trans-7685.4171.7-162.978.4000110.3I12L10-I12 HydrophobicContact CD1-CG1 4.47Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.69Å; L10-I12 HydrophobicContact CG-CD1 4.17Å; L10-I12 HydrophobicContact CG-CG1 3.64Å; L10-I12 PolarHBondContact O-N 3.04Å
11N43.5Very low58.9Low137 Ų137120.6 Ų120.673%0.73364%0.64SS**  trans-82.587.7165-126.5-19.8000107.4F9 F13F9-N11 PolarHBondContact O-N 3.27Å; N11-F13 PolarHBondContact O-N 3.13Å; N11-F13 VanDerWaalsContact O-N 3.13Å
12I57Low61.5Low111 Ų111112.4 Ų112.457%0.56960%0.601SS**  trans-7498.9171.3-53.2-179.8000106.7L10 L14L10-I12 HydrophobicContact CD1-CG1 4.47Å; L10-I12 HydrophobicContact CD2-CD1 3.62Å; L10-I12 HydrophobicContact CD2-CG1 3.69Å; L10-I12 HydrophobicContact CG-CD1 4.17Å; L10-I12 HydrophobicContact CG-CG1 3.64Å; L10-I12 PolarHBondContact O-N 3.04Å; I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CG 3.84Å; I12-L14 PolarHBondContact O-N 2.91Å
13F54.5Low63.9Low189 Ų189107 Ų10783%0.82957%0.568SS**  trans-69.185.1158.6-78.7-83.9000107.4N11 A15N11-F13 PolarHBondContact O-N 3.13Å; N11-F13 VanDerWaalsContact O-N 3.13Å; F13-A15 PolarHBondContact O-N 2.88Å; F13-A15 VanDerWaalsContact O-N 3.11Å
14L55.8Low66.2Low130 Ų13099.7 Ų99.768%0.68155%0.55SS*.  trans-61.4110.4162.2-91.1148.5000105.9I12 L16I12-L14 HydrophobicContact CG2-CD1 4.27Å; I12-L14 HydrophobicContact CG2-CG 3.84Å; I12-L14 PolarHBondContact O-N 2.91Å; L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.11Å
15A57.8Low68.6Low82 Ų8294.8 Ų94.868%0.67852%0.518SS*.  trans-65.593.6167.700000107F13 C17F13-A15 PolarHBondContact O-N 2.88Å; F13-A15 VanDerWaalsContact O-N 3.11Å; A15-C17 PolarHBondContact O-N 3.45Å; A15-C17 VanDerWaalsContact O-N 3.1Å
16L66.9Low70.6Confident163 Ų16389.8 Ų89.885%0.85350%0.495SS*.  trans-70.1106.7179.4-69168.5000107.7L14L14-L16 VanDerWaalsContact C-N 3.25Å; L14-L16 PolarHBondContact O-N 3.11Å
17C75.9Confident73.1Confident28 Ų2889.8 Ų89.819%0.18948%0.479CS..PPolyproline II helixtrans-77.8138.1169.3-64.50000108.1A15 E50 P63A15-C17 PolarHBondContact O-N 3.45Å; A15-C17 VanDerWaalsContact O-N 3.1Å; C17-E50 VanDerWaalsContact CB-CA 3.46Å; C17-E50 HydrophobicContact CB-CB 4.02Å; C17-E50 HydrophobicContact CB-CG 4.4Å; C17-P63 HydrophobicContact CB-CB 4.5Å; C17-P63 WeakPolarHBondContact SG-CB 3.42Å
18L89.6Confident75.4Confident20 Ų2089 Ų8911%0.10546%0.461CS..PPolyproline II helixtrans-66.6144.1179.1-163.967.7000110.9C51 A64 C67L18-C51 WeakPolarHBondContact O-CB 3.48Å; L18-C51 PolarHBondContact O-N 2.64Å; L18-A64 WeakPolarHBondContact CB-O 3.29Å; L18-A64 PolarHBondContact N-O 2.01Å; L18-C67 HydrophobicContact CD2-CB 4.49Å; L18-C67 WeakPolarHBondContact CD2-SG 3.49Å
19T92.7Very high77.6Confident28 Ų2883.8 Ų83.817%0.17245%0.449CS..PPolyproline II helixtrans-96.2125171.1-56.30000109.2L47 Q48 D124 G125T19-L47 HydrophobicContact CG2-CD1 3.45Å; T19-L47 VanDerWaalsContact CG2-CD1 3.45Å; T19-L47 HydrophobicContact CG2-CD2 3.96Å; T19-L47 HydrophobicContact CG2-CG 3.43Å; T19-L47 VanDerWaalsContact CG2-CG 3.43Å; T19-Q48 WeakPolarHBondContact CA-O 3.32Å; T19-Q48 WeakPolarHBondContact CG2-O 3.4Å; T19-D124 WeakPolarHBondContact CB-OD1 3.32Å; T19-D124 PolarHBondContact N-OD1 3.28Å; T19-D124 CarbonylContact O-C 3.52Å; T19-D124 WeakPolarHBondContact O-CA 3.37Å; T19-D124 PolarHBondContact OG1-OD1 2.82Å; T19-G125 PolarHBondContact O-N 3.37Å
20C93.9Very high79.7Confident0 Ų075 Ų750%041%0.412CS..EExtended strand (participates in β ladder)trans-131.1163.4179.8-57.10000111.7L22 Q48 C67 C85C20-L22 HydrophobicContact CB-CD1 4.02Å; C20-L22 WeakPolarHBondContact O-CD1 3.4Å; C20-Q48 PolarHBondContact N-O 3.23Å; C20-Q48 PolarHBondContact O-N 3.13Å; C20-C67 VanDerWaalsContact CA-SG 3.56Å; C20-C67 HydrophobicContact CB-CB 3.75Å; C20-C67 WeakPolarHBondContact CB-SG 3.14Å; C20-C67 WeakPolarHBondContact SG-CA 3.09Å; C20-C67 WeakPolarHBondContact SG-CB 3.28Å; C20-C67 CovalentContact SG-SG 2.03Å; C20-C67 PolarHBondContact SG-SG 3.4Å; C20-C85 WeakPolarHBondContact CB-SG 3.28Å
21Y93.6Very high81.8Confident34 Ų3471.3 Ų71.313%0.13340%0.398CS..EExtended strand (participates in β ladder)trans-78.3134.3164.4-65.8-73.4000110.3F37 T39 Y46 L47 R83 G125 N127 A128Y21-F37 AromaticContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE2 4.4Å; Y21-F37 AromaticContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD2-CE1 4.07Å; Y21-F37 HydrophobicContact CD2-CZ 4.44Å; Y21-F37 AromaticContact CE1-CE1 3.46Å; Y21-F37 HydrophobicContact CE1-CE1 3.46Å; Y21-F37 VanDerWaalsContact CE1-CE1 3.46Å; Y21-F37 AromaticContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE2-CE1 4.04Å; Y21-F37 AromaticContact CG-CE1 3.82Å; Y21-F37 HydrophobicContact CG-CE1 3.82Å; Y21-F37 AromaticContact CG-CZ 3.74Å; Y21-F37 HydrophobicContact CG-CZ 3.74Å; Y21-F37 AromaticContact CZ-CE1 3.74Å; Y21-T39 HydrophobicContact CE1-CG2 4.08Å; Y21-T39 WeakPolarHBondContact OH-CG2 2.9Å; Y21-Y46 CarbonylContact C-O 3.57Å; Y21-Y46 WeakPolarHBondContact CA-O 2.98Å; Y21-L47 HydrophobicContact CD1-CB 4.22Å; Y21-L47 HydrophobicContact CD1-CD1 4.1Å; Y21-L47 HydrophobicContact CD2-CD1 4.49Å; Y21-L47 HydrophobicContact CE1-CB 3.96Å; Y21-L47 HydrophobicContact CE1-CD1 3.79Å; Y21-L47 HydrophobicContact CE1-CG 4.45Å; Y21-L47 HydrophobicContact CE2-CD1 4.18Å; Y21-L47 HydrophobicContact CG-CD1 4.45Å; Y21-R83 CarbonylContact O-C 3.57Å; Y21-R83 WeakPolarHBondContact O-CB 3.37Å; Y21-G125 WeakPolarHBondContact CE2-O 3.29Å; Y21-N127 WeakPolarHBondContact CB-OD1 3.31Å; Y21-N127 WeakPolarHBondContact CD2-OD1 3.09Å; Y21-N127 PolarHBondContact N-OD1 3.1Å; Y21-N127 PolarHBondContact O-ND2 3.23Å; Y21-A128 HydrophobicContact CD2-CB 4.14Å; Y21-A128 HydrophobicContact CE2-CB 3.84Å
22L93.8Very high83.9Confident57 Ų5769.6 Ų69.630%0.29838%0.382SS..  trans-123.3112.4177.5-82.265.3000109.4C20 Y46 Q48 R83 C85C20-L22 HydrophobicContact CB-CD1 4.02Å; C20-L22 WeakPolarHBondContact O-CD1 3.4Å; L22-Y46 PolarHBondContact N-O 3.17Å; L22-Y46 WeakPolarHBondContact O-CB 3.35Å; L22-Y46 WeakPolarHBondContact O-CD1 3.39Å; L22-Q48 HydrophobicContact CD1-CB 3.5Å; L22-Q48 HydrophobicContact CD1-CG 4.3Å; L22-Q48 HydrophobicContact CD2-CB 3.92Å; L22-Q48 HydrophobicContact CD2-CG 4Å; L22-Q48 HydrophobicContact CG-CB 4.19Å; L22-R83 WeakPolarHBondContact CA-O 3.34Å; L22-C85 WeakPolarHBondContact CD1-SG 3.34Å
23C94.3Very high85.5Confident14 Ų1464.3 Ų64.310%0.09536%0.355CS..EExtended strand (participates in β ladder)trans-161.7160.2175.667.30000110.3C33 Y46 V82 R83C23-C33 HydrophobicContact CB-CB 3.57Å; C23-C33 WeakPolarHBondContact CB-SG 3.47Å; C23-C33 VanDerWaalsContact SG-CA 3.57Å; C23-C33 WeakPolarHBondContact SG-CB 3.32Å; C23-C33 CovalentContact SG-SG 2.03Å; C23-C33 PolarHBondContact SG-SG 3.23Å; C23-Y46 HydrophobicContact CB-CD1 3.56Å; C23-Y46 HydrophobicContact CB-CD2 4.23Å; C23-Y46 HydrophobicContact CB-CE1 3.77Å; C23-Y46 HydrophobicContact CB-CE2 4.39Å; C23-Y46 HydrophobicContact CB-CG 3.79Å; C23-V82 WeakPolarHBondContact O-CA 3.49Å; C23-R83 PolarHBondContact N-O 3.08Å; C23-R83 PolarHBondContact O-N 2.97Å; C23-R83 PolarHBondContact SG-NH1 3.41Å
24S94.7Very high87.2Confident66 Ų6656.5 Ų56.546%0.46232%0.321SS..EExtended strand (participates in β ladder)trans-138.4131.7173.6-175.20000109.3V81S24-V81 CarbonylContact C-O 3.47Å; S24-V81 WeakPolarHBondContact CA-O 3.14Å
25S94.6Very high88.1Confident0 Ų053.3 Ų53.30%030%0.304CS..EExtended strand (participates in β ladder)trans-128.8125.6172.4-175.30000108.6H28 S29 D30 E34 V80 V81S25-H28 WeakPolarHBondContact OG-CA 2.92Å; S25-S29 PolarHBondContact OG-N 3.3Å; S25-D30 PolarHBondContact OG-N 2.96Å; S25-D30 PolarHBondContact OG-O 2.96Å; S25-E34 VanDerWaalsContact CB-OE1 3.28Å; S25-E34 WeakPolarHBondContact CB-OE1 3.33Å; S25-E34 PolarHBondContact OG-OE1 2.56Å; S25-V80 CarbonylContact O-C 3.42Å; S25-V80 WeakPolarHBondContact O-CA 3.41Å; S25-V81 PolarHBondContact N-O 3.46Å; S25-V81 PolarHBondContact O-N 2.8Å
26V94.5Very high88.7Confident73 Ų7354.4 Ų54.444%0.44230%0.303SS..EExtended strand (participates in β ladder)trans-118.9125.3170.5-178.30000106.6H28 S29 T79 V80V26-H28 PolarHBondContact O-N 3.27Å; V26-S29 PolarHBondContact N-OG 1.97Å; V26-S29 WeakPolarHBondContact O-CB 3.13Å; V26-S29 PolarHBondContact O-N 2.84Å; V26-S29 PolarHBondContact O-OG 2.89Å; V26-T79 CarbonylContact C-O 3.55Å; V26-T79 WeakPolarHBondContact CA-O 3.16Å; V26-V80 HydrophobicContact CG2-CG2 4.38Å
27N94.4Very high88.5Confident70 Ų7047.6 Ų47.637%0.37427%0.266SS..THydrogen-bonded Turntrans52.342.4-176.3-62.2-29.1000113.4S29 Y78 T79N27-S29 PolarHBondContact O-N 3.17Å; N27-Y78 WeakPolarHBondContact ND2-CD1 3.39Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.3Å; N27-Y78 WeakPolarHBondContact OD1-CA 3.4Å; N27-Y78 VanDerWaalsContact OD1-CB 3.31Å; N27-Y78 WeakPolarHBondContact OD1-CB 3.35Å; N27-Y78 VanDerWaalsContact OD1-CD1 3.26Å; N27-Y78 WeakPolarHBondContact OD1-CD1 3.49Å; N27-T79 WeakPolarHBondContact CA-OG1 3.39Å; N27-T79 PolarHBondContact N-O 2.92Å; N27-T79 PolarHBondContact OD1-N 3.14Å
28H93Very high88.1Confident106 Ų10649.6 Ų49.649%0.49128%0.275SS..THydrogen-bonded Turntrans61.227.2-179.2-49.1-56.8000114S25 V26 D30 E34 T79S25-H28 WeakPolarHBondContact OG-CA 2.92Å; V26-H28 PolarHBondContact O-N 3.27Å; H28-D30 PolarHBondContact O-N 3.33Å; H28-E34 WeakPolarHBondContact CA-OE1 3.3Å; H28-E34 IonicContact CE1-OE1 2.7Å; H28-E34 IonicContact CE1-OE2 3.43Å; H28-E34 IonicContact CG-OE1 2.81Å; H28-E34 IonicContact ND1-OE1 3.36Å; H28-E34 PolarHBondContact ND1-OE1 3.04Å; H28-E34 IonicContact ND1-OE2 3.4Å; H28-E34 PolarHBondContact ND1-OE2 2.86Å; H28-T79 PolarHBondContact CE1-OG1 2.95Å; H28-T79 PolarHBondContact NE2-OG1 3.27Å
29S95.1Very high86.9Confident86 Ų8651 Ų5160%0.60128%0.284SS*.SBendtrans-58.6-27.617462.10000112.6S25 V26 N27S25-S29 PolarHBondContact OG-N 3.3Å; V26-S29 PolarHBondContact N-OG 1.97Å; V26-S29 WeakPolarHBondContact O-CB 3.13Å; V26-S29 PolarHBondContact O-N 2.84Å; V26-S29 PolarHBondContact O-OG 2.89Å; N27-S29 PolarHBondContact O-N 3.17Å
30D92.8Very high85.8Confident26 Ų2655.1 Ų55.114%0.13931%0.305CS..  trans-128.293174.7-175.5-9.8000110.5S25 H28 Y32 C33 Y46S25-D30 PolarHBondContact OG-N 2.96Å; S25-D30 PolarHBondContact OG-O 2.96Å; H28-D30 PolarHBondContact O-N 3.33Å; D30-Y32 PolarHBondContact O-N 3.36Å; D30-Y32 VanDerWaalsContact O-N 3.13Å; D30-Y32 WeakPolarHBondContact OD1-CB 2.9Å; D30-Y32 PolarHBondContact OD1-N 3.27Å; D30-C33 HydrophobicContact CB-CB 3.97Å; D30-C33 PolarHBondContact O-N 3.24Å; D30-C33 VanDerWaalsContact O-N 3.09Å; D30-C33 PolarHBondContact OD1-N 2.76Å; D30-Y46 PolarHBondContact OD1-OH 3.16Å; D30-Y46 PolarHBondContact OD2-OH 3.11Å
31P88.7Confident84.8Confident78 Ų7858.8 Ų58.851%0.50632%0.32SS..THydrogen-bonded Turntrans-58.6-25178.9-25.334.8000114E34P31-E34 PolarHBondContact O-N 3.04Å
32Y87.8Confident84Confident101 Ų10164.3 Ų64.340%0.39636%0.357SS..THydrogen-bonded Turntrans-81.2-23.6-178.7-53.8-68.3000112D30 E34 F37 Y41 V44D30-Y32 PolarHBondContact O-N 3.36Å; D30-Y32 VanDerWaalsContact O-N 3.13Å; D30-Y32 WeakPolarHBondContact OD1-CB 2.9Å; D30-Y32 PolarHBondContact OD1-N 3.27Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; Y32-F37 WeakPolarHBondContact O-CD2 3.47Å; Y32-Y41 AromaticContact CD1-CD1 3.68Å; Y32-Y41 HydrophobicContact CD1-CD1 3.68Å; Y32-Y41 AromaticContact CD1-CD2 3.37Å; Y32-Y41 HydrophobicContact CD1-CD2 3.37Å; Y32-Y41 AromaticContact CD1-CE1 3.85Å; Y32-Y41 HydrophobicContact CD1-CE1 3.85Å; Y32-Y41 AromaticContact CD1-CE2 3.56Å; Y32-Y41 HydrophobicContact CD1-CE2 3.56Å; Y32-Y41 AromaticContact CD1-CG 3.44Å; Y32-Y41 HydrophobicContact CD1-CG 3.44Å; Y32-Y41 VanDerWaalsContact CD1-CG 3.44Å; Y32-Y41 AromaticContact CD1-CZ 3.81Å; Y32-Y41 AromaticContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD2 4.13Å; Y32-Y41 AromaticContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE2 4.38Å; Y32-Y41 AromaticContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CG-CD2 4.2Å; Y32-Y41 HydrophobicContact CG-CE2 4.47Å; Y32-Y41 HydrophobicContact CG-CG 4.49Å; Y32-V44 HydrophobicContact CD1-CG2 4.48Å; Y32-V44 HydrophobicContact CD2-CG2 4.08Å; Y32-V44 HydrophobicContact CE2-CG2 4.2Å; Y32-V44 HydrophobicContact CG-CG1 4.29Å; Y32-V44 HydrophobicContact CG-CG2 4.21Å
33C91.5Very high83.3Confident0 Ų065.6 Ų65.60%038%0.384CS..SBendtrans-82-6.3171.7-170.90000113.1C23 D30 V81 R83C23-C33 HydrophobicContact CB-CB 3.57Å; C23-C33 WeakPolarHBondContact CB-SG 3.47Å; C23-C33 VanDerWaalsContact SG-CA 3.57Å; C23-C33 WeakPolarHBondContact SG-CB 3.32Å; C23-C33 CovalentContact SG-SG 2.03Å; C23-C33 PolarHBondContact SG-SG 3.23Å; D30-C33 HydrophobicContact CB-CB 3.97Å; D30-C33 PolarHBondContact O-N 3.24Å; D30-C33 VanDerWaalsContact O-N 3.09Å; D30-C33 PolarHBondContact OD1-N 2.76Å; C33-V81 VanDerWaalsContact O-CG1 3.28Å; C33-V81 WeakPolarHBondContact O-CG1 3.01Å; C33-R83 PolarHBondContact O-NH1 2.96Å
34E90.8Very high82.7Confident25 Ų2566.8 Ų66.812%0.11739%0.391CS..SBendtrans-68.9170.1-179.9-65.7-60.6158.400113.1S25 H28 P31 Y32 T36 F37 V81S25-E34 VanDerWaalsContact CB-OE1 3.28Å; S25-E34 WeakPolarHBondContact CB-OE1 3.33Å; S25-E34 PolarHBondContact OG-OE1 2.56Å; H28-E34 WeakPolarHBondContact CA-OE1 3.3Å; H28-E34 IonicContact CE1-OE1 2.7Å; H28-E34 IonicContact CE1-OE2 3.43Å; H28-E34 IonicContact CG-OE1 2.81Å; H28-E34 IonicContact ND1-OE1 3.36Å; H28-E34 PolarHBondContact ND1-OE1 3.04Å; H28-E34 IonicContact ND1-OE2 3.4Å; H28-E34 PolarHBondContact ND1-OE2 2.86Å; P31-E34 PolarHBondContact O-N 3.04Å; Y32-E34 VanDerWaalsContact C-N 3.33Å; E34-T36 PolarHBondContact O-N 3.16Å; E34-T36 VanDerWaalsContact O-N 3.12Å; E34-F37 VanDerWaalsContact O-CA 3.31Å; E34-F37 WeakPolarHBondContact O-CA 3.41Å; E34-F37 VanDerWaalsContact O-CB 3.28Å; E34-F37 WeakPolarHBondContact O-CB 3.25Å; E34-F37 PolarHBondContact O-N 3.06Å; E34-V81 WeakPolarHBondContact OE2-CG2 3.22Å
35D74.5Confident82.3Confident62 Ų6269.7 Ų69.733%0.33240%0.401SS..THydrogen-bonded Turntrans-68.5-10.5-175.7-96.88.9000115.7F37 K69 R83D35-F37 PolarHBondContact O-N 2.82Å; D35-K69 WeakPolarHBondContact OD1-CE 2.94Å; D35-K69 IonicContact OD1-NZ 3.12Å; D35-K69 PolarHBondContact OD1-NZ 3.14Å; D35-K69 IonicContact OD2-NZ 2.73Å; D35-K69 PolarHBondContact OD2-NZ 2.92Å; D35-R83 IonicContact OD1-NH2 3.34Å; D35-R83 PolarHBondContact OD1-NH2 3.24Å
36T68.7Low82.2Confident106 Ų10672.1 Ų72.165%0.6541%0.41SS*.THydrogen-bonded Turntrans-72.66.4162.5500000113.1E34 N38E34-T36 PolarHBondContact O-N 3.16Å; E34-T36 VanDerWaalsContact O-N 3.12Å; T36-N38 PolarHBondContact O-N 2.84Å
37F64.2Low82Confident19 Ų1971.5 Ų71.58%0.08340%0.404CS..  trans-29.795-178.7-165.5-98.6000112.3Y21 Y32 E34 D35 T39 Y46 A128Y21-F37 AromaticContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE1 3.53Å; Y21-F37 HydrophobicContact CD1-CE2 4.4Å; Y21-F37 AromaticContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD1-CZ 3.26Å; Y21-F37 HydrophobicContact CD2-CE1 4.07Å; Y21-F37 HydrophobicContact CD2-CZ 4.44Å; Y21-F37 AromaticContact CE1-CE1 3.46Å; Y21-F37 HydrophobicContact CE1-CE1 3.46Å; Y21-F37 VanDerWaalsContact CE1-CE1 3.46Å; Y21-F37 AromaticContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE1-CZ 3.57Å; Y21-F37 HydrophobicContact CE2-CE1 4.04Å; Y21-F37 AromaticContact CG-CE1 3.82Å; Y21-F37 HydrophobicContact CG-CE1 3.82Å; Y21-F37 AromaticContact CG-CZ 3.74Å; Y21-F37 HydrophobicContact CG-CZ 3.74Å; Y21-F37 AromaticContact CZ-CE1 3.74Å; Y32-F37 WeakPolarHBondContact O-CD2 3.47Å; E34-F37 VanDerWaalsContact O-CA 3.31Å; E34-F37 WeakPolarHBondContact O-CA 3.41Å; E34-F37 VanDerWaalsContact O-CB 3.28Å; E34-F37 WeakPolarHBondContact O-CB 3.25Å; E34-F37 PolarHBondContact O-N 3.06Å; D35-F37 PolarHBondContact O-N 2.82Å; F37-T39 HydrophobicContact CD1-CG2 4.05Å; F37-T39 HydrophobicContact CE1-CG2 3.61Å; F37-Y46 AromaticContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CE2 4.29Å; F37-Y46 HydrophobicContact CE2-CG 4.45Å; F37-Y46 HydrophobicContact CZ-CD2 4.04Å; F37-A128 HydrophobicContact CD1-CB 4.46Å
38N66.8Low81.9Confident70 Ų7072.4 Ų72.437%0.37441%0.406SS..  trans-94.5119.6171.1-172.5-0.5000106.5T36 D40 Y41T36-N38 PolarHBondContact O-N 2.84Å; N38-D40 PolarHBondContact O-N 2.81Å; N38-D40 VanDerWaalsContact O-N 3.16Å; N38-D40 WeakPolarHBondContact OD1-CB 3.12Å; N38-D40 PolarHBondContact OD1-N 3.13Å; N38-D40 VanDerWaalsContact OD1-N 3.11Å; N38-Y41 HydrophobicContact CB-CD2 4.08Å; N38-Y41 HydrophobicContact CB-CE1 4.48Å; N38-Y41 HydrophobicContact CB-CE2 3.49Å; N38-Y41 VanDerWaalsContact CB-CE2 3.49Å; N38-Y41 WeakPolarHBondContact O-CD2 3.37Å; N38-Y41 VanDerWaalsContact O-CE2 3.25Å; N38-Y41 WeakPolarHBondContact O-CE2 3.18Å
39T65Low81.8Confident49 Ų4971 Ų7130%0.30141%0.406SS..THydrogen-bonded Turntrans-66.5-12177.345.30000112.7Y21 F37Y21-T39 HydrophobicContact CE1-CG2 4.08Å; Y21-T39 WeakPolarHBondContact OH-CG2 2.9Å; F37-T39 HydrophobicContact CD1-CG2 4.05Å; F37-T39 HydrophobicContact CE1-CG2 3.61Å
40D68.3Low81.6Confident115 Ų11573.9 Ų73.962%0.61541%0.411SS*.THydrogen-bonded Turntrans-101.717.8-163.7-51.6-14.3000112.4N38 V42N38-D40 PolarHBondContact O-N 2.81Å; N38-D40 VanDerWaalsContact O-N 3.16Å; N38-D40 WeakPolarHBondContact OD1-CB 3.12Å; N38-D40 PolarHBondContact OD1-N 3.13Å; N38-D40 VanDerWaalsContact OD1-N 3.11Å; D40-V42 PolarHBondContact O-N 3.22Å
41Y74.1Confident81.6Confident77 Ų7772.7 Ų72.730%0.30240%0.404SS..  trans-71.2116.1173.6-66.8-66.1000110.1Y32 N38 G43 V44Y32-Y41 AromaticContact CD1-CD1 3.68Å; Y32-Y41 HydrophobicContact CD1-CD1 3.68Å; Y32-Y41 AromaticContact CD1-CD2 3.37Å; Y32-Y41 HydrophobicContact CD1-CD2 3.37Å; Y32-Y41 AromaticContact CD1-CE1 3.85Å; Y32-Y41 HydrophobicContact CD1-CE1 3.85Å; Y32-Y41 AromaticContact CD1-CE2 3.56Å; Y32-Y41 HydrophobicContact CD1-CE2 3.56Å; Y32-Y41 AromaticContact CD1-CG 3.44Å; Y32-Y41 HydrophobicContact CD1-CG 3.44Å; Y32-Y41 VanDerWaalsContact CD1-CG 3.44Å; Y32-Y41 AromaticContact CD1-CZ 3.81Å; Y32-Y41 AromaticContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD1 3.56Å; Y32-Y41 HydrophobicContact CE1-CD2 4.13Å; Y32-Y41 AromaticContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE1 3.84Å; Y32-Y41 HydrophobicContact CE1-CE2 4.38Å; Y32-Y41 AromaticContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CE1-CG 3.73Å; Y32-Y41 HydrophobicContact CG-CD2 4.2Å; Y32-Y41 HydrophobicContact CG-CE2 4.47Å; Y32-Y41 HydrophobicContact CG-CG 4.49Å; N38-Y41 HydrophobicContact CB-CD2 4.08Å; N38-Y41 HydrophobicContact CB-CE1 4.48Å; N38-Y41 HydrophobicContact CB-CE2 3.49Å; N38-Y41 VanDerWaalsContact CB-CE2 3.49Å; N38-Y41 WeakPolarHBondContact O-CD2 3.37Å; N38-Y41 VanDerWaalsContact O-CE2 3.25Å; N38-Y41 WeakPolarHBondContact O-CE2 3.18Å; Y41-G43 PolarHBondContact O-N 3.01Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-V44 VanDerWaalsContact O-N 3.08Å
42V75.6Confident81.7Confident151 Ų15173.1 Ų73.192%0.91540%0.4SS*.THydrogen-bonded Turntrans-58122178.7-178.80000109.8D40D40-V42 PolarHBondContact O-N 3.22Å
43G80.4Confident81.8Confident84 Ų8468.3 Ų68.387%0.86638%0.381SS*.THydrogen-bonded Turntrans85.30.217800000115.3Y41Y41-G43 PolarHBondContact O-N 3.01Å
44V82.3Confident81.5Confident39 Ų3972.4 Ų72.424%0.23641%0.408CS..  trans-112.8114.3176.1-176.70000108.9Y32 Y41 Y46Y32-V44 HydrophobicContact CD1-CG2 4.48Å; Y32-V44 HydrophobicContact CD2-CG2 4.08Å; Y32-V44 HydrophobicContact CE2-CG2 4.2Å; Y32-V44 HydrophobicContact CG-CG1 4.29Å; Y32-V44 HydrophobicContact CG-CG2 4.21Å; Y41-V44 PolarHBondContact O-N 3.42Å; Y41-V44 VanDerWaalsContact O-N 3.08Å; V44-Y46 HydrophobicContact CG1-CD2 3.82Å; V44-Y46 HydrophobicContact CG1-CE1 4.34Å; V44-Y46 HydrophobicContact CG1-CE2 3.21Å
45N86Confident81.1Confident126 Ų12675 Ų7567%0.67442%0.417SS*.  trans-131.7103.9176.6-175.417.9000110.5L47N45-L47 WeakPolarHBondContact OD1-CB 3.26Å; N45-L47 PolarHBondContact OD1-N 2.98Å
46Y91.1Very high81.2Confident52 Ų5276.6 Ų76.620%0.20442%0.421CS..  trans-90.9-3.8173.2-62.3-61.7000113.1Y21 L22 C23 D30 F37 V44 Q48Y21-Y46 CarbonylContact C-O 3.57Å; Y21-Y46 WeakPolarHBondContact CA-O 2.98Å; L22-Y46 PolarHBondContact N-O 3.17Å; L22-Y46 WeakPolarHBondContact O-CB 3.35Å; L22-Y46 WeakPolarHBondContact O-CD1 3.39Å; C23-Y46 HydrophobicContact CB-CD1 3.56Å; C23-Y46 HydrophobicContact CB-CD2 4.23Å; C23-Y46 HydrophobicContact CB-CE1 3.77Å; C23-Y46 HydrophobicContact CB-CE2 4.39Å; C23-Y46 HydrophobicContact CB-CG 3.79Å; D30-Y46 PolarHBondContact OD1-OH 3.16Å; D30-Y46 PolarHBondContact OD2-OH 3.11Å; F37-Y46 AromaticContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CD2 3.59Å; F37-Y46 HydrophobicContact CE2-CE2 4.29Å; F37-Y46 HydrophobicContact CE2-CG 4.45Å; F37-Y46 HydrophobicContact CZ-CD2 4.04Å; V44-Y46 HydrophobicContact CG1-CD2 3.82Å; V44-Y46 HydrophobicContact CG1-CE1 4.34Å; V44-Y46 HydrophobicContact CG1-CE2 3.21Å; Y46-Q48 PolarHBondContact O-N 2.96Å; Y46-Q48 VanDerWaalsContact O-N 3.17Å
47L90.9Very high81.7Confident59 Ų5978.5 Ų78.531%0.30943%0.427SS..EExtended strand (participates in β ladder)trans-71.5112.5179.3-166.670000108.4T19 Y21 N45 P49T19-L47 HydrophobicContact CG2-CD1 3.45Å; T19-L47 VanDerWaalsContact CG2-CD1 3.45Å; T19-L47 HydrophobicContact CG2-CD2 3.96Å; T19-L47 HydrophobicContact CG2-CG 3.43Å; T19-L47 VanDerWaalsContact CG2-CG 3.43Å; Y21-L47 HydrophobicContact CD1-CB 4.22Å; Y21-L47 HydrophobicContact CD1-CD1 4.1Å; Y21-L47 HydrophobicContact CD2-CD1 4.49Å; Y21-L47 HydrophobicContact CE1-CB 3.96Å; Y21-L47 HydrophobicContact CE1-CD1 3.79Å; Y21-L47 HydrophobicContact CE1-CG 4.45Å; Y21-L47 HydrophobicContact CE2-CD1 4.18Å; Y21-L47 HydrophobicContact CG-CD1 4.45Å; N45-L47 WeakPolarHBondContact OD1-CB 3.26Å; N45-L47 PolarHBondContact OD1-N 2.98Å; L47-P49 WeakPolarHBondContact O-CD 3.49Å
48Q91.9Very high82.6Confident90 Ų9085.7 Ų85.742%0.42145%0.454SS..EExtended strand (participates in β ladder)trans-98.5108.7176.4179.959.957.100109.1T19 C20 L22 Y46 C51T19-Q48 WeakPolarHBondContact CA-O 3.32Å; T19-Q48 WeakPolarHBondContact CG2-O 3.4Å; C20-Q48 PolarHBondContact N-O 3.23Å; C20-Q48 PolarHBondContact O-N 3.13Å; L22-Q48 HydrophobicContact CD1-CB 3.5Å; L22-Q48 HydrophobicContact CD1-CG 4.3Å; L22-Q48 HydrophobicContact CD2-CB 3.92Å; L22-Q48 HydrophobicContact CD2-CG 4Å; L22-Q48 HydrophobicContact CG-CB 4.19Å; Y46-Q48 PolarHBondContact O-N 2.96Å; Y46-Q48 VanDerWaalsContact O-N 3.17Å; Q48-C51 HydrophobicContact CG-CB 4.27Å
49P91.7Very high83.4Confident76 Ų7694 Ų9449%0.49448%0.48SS..SBendtrans-68.1153.7168.3-9.426000109.9L47 C51L47-P49 WeakPolarHBondContact O-CD 3.49Å; P49-C51 VanDerWaalsContact C-N 3.33Å; P49-C51 PolarHBondContact O-N 3.09Å
50E90.3Very high84.5Confident147 Ų14794 Ų9469%0.68749%0.49SS*.SBendtrans50.552.7177.6-60.9178.5-179.800112.9C17 M52C17-E50 VanDerWaalsContact CB-CA 3.46Å; C17-E50 HydrophobicContact CB-CB 4.02Å; C17-E50 HydrophobicContact CB-CG 4.4Å; E50-M52 WeakPolarHBondContact O-CG 3.25Å; E50-M52 PolarHBondContact O-N 3.3Å
51C92.4Very high85.4Confident1 Ų196.4 Ų96.41%0.00749%0.491CS..  trans-69.1139.7-168.9-1590000112.4L18 Q48 P49 A64 C85L18-C51 WeakPolarHBondContact O-CB 3.48Å; L18-C51 PolarHBondContact O-N 2.64Å; Q48-C51 HydrophobicContact CG-CB 4.27Å; P49-C51 VanDerWaalsContact C-N 3.33Å; P49-C51 PolarHBondContact O-N 3.09Å; C51-A64 HydrophobicContact CB-CB 4.28Å; C51-A64 VanDerWaalsContact O-CB 3.3Å; C51-A64 WeakPolarHBondContact O-CB 3.41Å; C51-A64 PolarHBondContact O-N 2.03Å; C51-C85 HydrophobicContact CB-CB 3.8Å; C51-C85 WeakPolarHBondContact CB-SG 3.46Å; C51-C85 WeakPolarHBondContact SG-CB 3.03Å; C51-C85 CovalentContact SG-SG 1.97Å; C51-C85 PolarHBondContact SG-SG 2.9Å
52M91.3Very high86.1Confident86 Ų8695.7 Ų95.742%0.42449%0.49SS..EExtended strand (participates in β ladder)trans-119.7133.1-174.9-64.7-64.4-76.400109.6E50 Y61 F62 P63E50-M52 WeakPolarHBondContact O-CG 3.25Å; E50-M52 PolarHBondContact O-N 3.3Å; M52-Y61 HydrophobicContact CB-CD1 4.46Å; M52-Y61 WeakPolarHBondContact CE-O 3.19Å; M52-F62 CarbonylContact C-O 3.56Å; M52-F62 WeakPolarHBondContact CA-O 3.16Å; M52-P63 HydrophobicContact SD-CG 4.27Å
53A89.8Confident86.9Confident0 Ų091.1 Ų91.10%046%0.463CS..EExtended strand (participates in β ladder)trans-128151-177.500000112F62 A64 C85 M87A53-F62 PolarHBondContact N-O 2.83Å; A53-F62 PolarHBondContact O-N 3.24Å; A53-A64 HydrophobicContact CB-CB 4.06Å; A53-C85 HydrophobicContact CB-CB 4.37Å; A53-M87 HydrophobicContact CB-CB 4.22Å
54P85.8Confident87.4Confident87 Ų8787.3 Ų87.357%0.56542%0.424SS*.EExtended strand (participates in β ladder)trans-68.1146.9169.130.5-34.1000110
55R81.9Confident87.7Confident79 Ų7988.4 Ų88.430%0.29843%0.428SS..  trans-110.1135.6172.4-174.9179175.1165.45.5109.2D57 R58 F62 M87 S89R55-D57 PolarHBondContact O-N 2.8Å; R55-R58 HydrophobicContact CB-CB 4.19Å; R55-R58 HydrophobicContact CB-CG 4.4Å; R55-R58 HydrophobicContact CG-CG 4.22Å; R55-R58 PolarHBondContact O-N 2.84Å; R55-R58 VanDerWaalsContact O-N 3.13Å; R55-F62 HydrophobicContact CB-CD2 3.59Å; R55-F62 HydrophobicContact CB-CE2 3.85Å; R55-F62 HydrophobicContact CB-CG 4.41Å; R55-M87 HydrophobicContact CB-SD 3.96Å; R55-M87 HydrophobicContact CG-SD 4.07Å; R55-S89 WeakPolarHBondContact CG-OG 3.48Å; R55-S89 PolarHBondContact NE-O 3.26Å; R55-S89 PolarHBondContact NH2-O 3.37Å
56K77.6Confident88Confident96 Ų9684.2 Ų84.242%0.41741%0.405SS..THydrogen-bonded Turntrans-53.6136.9178.7-169-178.4174.8177.30110.3R58 S89 T96K56-R58 PolarHBondContact O-N 2.79Å; K56-R58 VanDerWaalsContact O-N 3.13Å; K56-S89 WeakPolarHBondContact CB-OG 3.46Å; K56-S89 PolarHBondContact N-OG 3.04Å; K56-T96 PolarHBondContact NZ-OG1 2.03Å
57D79.3Confident88.2Confident146 Ų14681.8 Ų81.878%0.78140%0.395SS*.THydrogen-bonded Turntrans59.419.6179.4-52.6-41.8000115.2R55R55-D57 PolarHBondContact O-N 2.8Å
58R81.3Confident88.3Confident169 Ų16979.1 Ų79.164%0.63838%0.381SS*.  trans-129.7145.4176.6-58.2-65.1179.3171.50.5111R55 K56 F62R55-R58 HydrophobicContact CB-CB 4.19Å; R55-R58 HydrophobicContact CB-CG 4.4Å; R55-R58 HydrophobicContact CG-CG 4.22Å; R55-R58 PolarHBondContact O-N 2.84Å; R55-R58 VanDerWaalsContact O-N 3.13Å; K56-R58 PolarHBondContact O-N 2.79Å; K56-R58 VanDerWaalsContact O-N 3.13Å; R58-F62 HydrophobicContact CB-CE2 3.79Å; R58-F62 HydrophobicContact CB-CZ 4.02Å
59R84.3Confident88.4Confident245 Ų24575 Ų7593%0.92536%0.362SS*.SBendtrans-88.1141.9173.2-69.3-170.6-71.2173.7-3.2110
60G87.3Confident88.4Confident49 Ų4972 Ų7251%0.50534%0.342SS..SBendtrans94.6-176.4178.200000112.9
61Y89.1Confident88.6Confident166 Ų16665.9 Ų65.965%0.65132%0.315SS*.EExtended strand (participates in β ladder)trans-111.4147.4-179.4-66.8-95.1000110.2M52M52-Y61 HydrophobicContact CB-CD1 4.46Å; M52-Y61 WeakPolarHBondContact CE-O 3.19Å
62F88.3Confident88.7Confident61 Ų6166.2 Ų66.227%0.26832%0.319SS..EExtended strand (participates in β ladder)trans-128.4154.1-178.6-61.9-90.8000109.6M52 A53 R55 R58 A64 M87M52-F62 CarbonylContact C-O 3.56Å; M52-F62 WeakPolarHBondContact CA-O 3.16Å; A53-F62 PolarHBondContact N-O 2.83Å; A53-F62 PolarHBondContact O-N 3.24Å; R55-F62 HydrophobicContact CB-CD2 3.59Å; R55-F62 HydrophobicContact CB-CE2 3.85Å; R55-F62 HydrophobicContact CB-CG 4.41Å; R58-F62 HydrophobicContact CB-CE2 3.79Å; R58-F62 HydrophobicContact CB-CZ 4.02Å; F62-A64 PolarHBondContact O-N 3.19Å; F62-A64 VanDerWaalsContact O-N 3.14Å; F62-M87 HydrophobicContact CB-CE 4.07Å; F62-M87 HydrophobicContact CB-SD 3.26Å; F62-M87 WeakPolarHBondContact CB-SD 3.05Å; F62-M87 HydrophobicContact CD2-SD 4.32Å; F62-M87 HydrophobicContact CG-SD 3.82Å
63P91Very high89Confident56 Ų5665 Ų6536%0.36432%0.316SS..EExtended strand (participates in β ladder)trans-47120.6169.8-3340.2000111.1C17 M52C17-P63 HydrophobicContact CB-CB 4.5Å; C17-P63 WeakPolarHBondContact SG-CB 3.42Å; M52-P63 HydrophobicContact SD-CG 4.27Å
64A91Very high89.2Confident4 Ų465.5 Ų65.53%0.03332%0.32CS..  trans-71.1142.5175.300000110.3L18 C51 A53 F62 C85 A86L18-A64 WeakPolarHBondContact CB-O 3.29Å; L18-A64 PolarHBondContact N-O 2.01Å; C51-A64 HydrophobicContact CB-CB 4.28Å; C51-A64 VanDerWaalsContact O-CB 3.3Å; C51-A64 WeakPolarHBondContact O-CB 3.41Å; C51-A64 PolarHBondContact O-N 2.03Å; A53-A64 HydrophobicContact CB-CB 4.06Å; F62-A64 PolarHBondContact O-N 3.19Å; F62-A64 VanDerWaalsContact O-N 3.14Å; A64-C85 HydrophobicContact CB-CB 3.56Å; A64-A86 WeakPolarHBondContact CB-O 3.3Å
65D90.2Very high89.4Confident61 Ų6166.4 Ų66.433%0.32633%0.328SS..  trans-112.2-9.8175.758.14.7000112.4A86 M87 D88D65-A86 PolarHBondContact N-O 3.35Å; D65-M87 VanDerWaalsContact OD1-CA 3.25Å; D65-M87 WeakPolarHBondContact OD1-CA 3.35Å; D65-D88 PolarHBondContact OD1-N 2.98Å; D65-D88 WeakPolarHBondContact OD2-CB 3.31Å; D65-D88 PolarHBondContact OD2-N 2.86Å
66H92.3Very high89.9Confident39 Ų3967.8 Ų67.818%0.18134%0.342CS..EExtended strand (participates in β ladder)trans-139147.7177.8-6278.7000112.6C85 A86 V99 C121H66-C85 WeakPolarHBondContact O-CA 3.28Å; H66-A86 PolarHBondContact N-O 2.82Å; H66-A86 VanDerWaalsContact N-O 3.13Å; H66-A86 PolarHBondContact O-N 2.76Å; H66-V99 HydrophobicContact CB-CG1 3.79Å; H66-V99 WeakPolarHBondContact ND1-CG1 3.36Å; H66-C121 CarbonylContact C-O 3.56Å; H66-C121 VanDerWaalsContact CA-O 3.29Å; H66-C121 WeakPolarHBondContact CA-O 3.47Å
67C93.6Very high90.6Very high0 Ų069.3 Ų69.30%035%0.354CS..EExtended strand (participates in β ladder)trans-96.3142164.1-50.90000110L18 C20 T120 C121 N127L18-C67 HydrophobicContact CD2-CB 4.49Å; L18-C67 WeakPolarHBondContact CD2-SG 3.49Å; C20-C67 VanDerWaalsContact CA-SG 3.56Å; C20-C67 HydrophobicContact CB-CB 3.75Å; C20-C67 WeakPolarHBondContact CB-SG 3.14Å; C20-C67 WeakPolarHBondContact SG-CA 3.09Å; C20-C67 WeakPolarHBondContact SG-CB 3.28Å; C20-C67 CovalentContact SG-SG 2.03Å; C20-C67 PolarHBondContact SG-SG 3.4Å; C67-T120 WeakPolarHBondContact O-CA 3.37Å; C67-C121 PolarHBondContact N-O 2.83Å; C67-C121 PolarHBondContact O-N 3.34Å; C67-C121 VanDerWaalsContact O-N 3.09Å; C67-N127 HydrophobicContact CB-CB 3.66Å
68I93.1Very high91.2Very high4 Ų467.7 Ų67.72%0.02134%0.338CS..EExtended strand (participates in β ladder)trans-117.7141.6176.5-57.1-169.2000109.4V70 R83 T84 A86 I98 V99 Q119 T120 N127I68-V70 HydrophobicContact CG2-CG2 3.88Å; I68-R83 WeakPolarHBondContact O-CA 3.18Å; I68-T84 HydrophobicContact CB-CG2 4.01Å; I68-T84 PolarHBondContact N-O 3.29Å; I68-T84 PolarHBondContact O-N 3.38Å; I68-A86 HydrophobicContact CD1-CB 3.28Å; I68-A86 HydrophobicContact CG1-CB 3.72Å; I68-I98 HydrophobicContact CD1-CB 4.34Å; I68-I98 HydrophobicContact CD1-CD1 4.34Å; I68-I98 HydrophobicContact CD1-CG1 4.11Å; I68-I98 HydrophobicContact CD1-CG2 3.5Å; I68-I98 VanDerWaalsContact CD1-CG2 3.5Å; I68-I98 HydrophobicContact CG2-CD1 4.38Å; I68-V99 HydrophobicContact CD1-CG2 4.39Å; I68-Q119 CarbonylContact C-O 3.5Å; I68-Q119 WeakPolarHBondContact CA-O 3.39Å; I68-T120 HydrophobicContact CD1-CG2 4.42Å; I68-T120 HydrophobicContact CG1-CG2 4.08Å; I68-N127 PolarHBondContact O-ND2 2.73Å
69K93.9Very high91.8Very high4 Ų460.8 Ų60.82%0.01732%0.315CS..EExtended strand (participates in β ladder)trans-126.6123162.9-179.7-173.2168.7-156.40109.6D35 V82 R83 Q119 N127D35-K69 WeakPolarHBondContact OD1-CE 2.94Å; D35-K69 IonicContact OD1-NZ 3.12Å; D35-K69 PolarHBondContact OD1-NZ 3.14Å; D35-K69 IonicContact OD2-NZ 2.73Å; D35-K69 PolarHBondContact OD2-NZ 2.92Å; K69-V82 CarbonylContact C-O 3.51Å; K69-V82 WeakPolarHBondContact CA-O 3.39Å; K69-R83 HydrophobicContact CB-CG 4.47Å; K69-R83 HydrophobicContact CG-CG 4.25Å; K69-Q119 HydrophobicContact CB-CB 4.46Å; K69-Q119 PolarHBondContact N-O 3.38Å; K69-Q119 PolarHBondContact O-N 2.91Å; K69-N127 HydrophobicContact CB-CB 4.15Å
70V93.5Very high92.3Very high11 Ų1149.3 Ų49.37%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-110.4131.1170.7-177.40000107.7I68 V81 V82 I98 F107 C117 V118I68-V70 HydrophobicContact CG2-CG2 3.88Å; V70-V81 CarbonylContact O-C 3.53Å; V70-V81 VanDerWaalsContact O-CA 3.3Å; V70-V81 WeakPolarHBondContact O-CA 3.32Å; V70-V82 HydrophobicContact CB-CB 4.33Å; V70-V82 PolarHBondContact N-O 3.13Å; V70-V82 PolarHBondContact O-N 2.74Å; V70-I98 HydrophobicContact CG2-CD1 4.38Å; V70-F107 HydrophobicContact CG1-CD2 4.3Å; V70-F107 HydrophobicContact CG1-CE1 4.32Å; V70-F107 HydrophobicContact CG1-CE2 3.44Å; V70-F107 VanDerWaalsContact CG1-CE2 3.44Å; V70-F107 HydrophobicContact CG1-CZ 3.45Å; V70-F107 VanDerWaalsContact CG1-CZ 3.45Å; V70-C117 WeakPolarHBondContact CA-O 2.92Å; V70-V118 HydrophobicContact CG1-CG2 4.37Å; V70-V118 HydrophobicContact CG2-CG1 4.4Å; V70-V118 HydrophobicContact CG2-CG2 4.35Å
71S94.5Very high92.7Very high19 Ų1947.3 Ų47.313%0.13325%0.25CS..EExtended strand (participates in β ladder)trans-144.1130.2173.859.20000109.9V80 G116 C117S71-V80 CarbonylContact C-O 3.53Å; S71-V80 VanDerWaalsContact CA-O 3.24Å; S71-V80 WeakPolarHBondContact CA-O 3.39Å; S71-G116 CarbonylContact O-C 3.55Å; S71-G116 WeakPolarHBondContact O-CA 2.98Å; S71-C117 PolarHBondContact N-O 3.45Å; S71-C117 PolarHBondContact O-N 3.48Å
72G94.7Very high92.9Very high9 Ų941 Ų419%0.09323%0.229CC..EExtended strand (participates in β ladder)trans-166.5173.6-18000000114.5T79 V80 S115G72-T79 WeakPolarHBondContact O-CA 3.37Å; G72-V80 PolarHBondContact N-O 3.1Å; G72-V80 PolarHBondContact O-N 3.25Å; G72-S115 CarbonylContact C-O 3.47Å; G72-S115 VanDerWaalsContact CA-O 3.23Å; G72-S115 WeakPolarHBondContact CA-O 3.28Å
73V95.9Very high93.2Very high60 Ų6038.3 Ų38.336%0.36422%0.217SC..EExtended strand (participates in β ladder)trans-127.4131.3178.2-169.90000109.4Y78 T79 F114 S115V73-Y78 CarbonylContact C-O 3.55Å; V73-Y78 VanDerWaalsContact CA-O 3.28Å; V73-Y78 WeakPolarHBondContact CA-O 3.39Å; V73-T79 HydrophobicContact CG2-CG2 4.26Å; V73-F114 WeakPolarHBondContact O-CA 3.36Å; V73-S115 PolarHBondContact N-O 3.33Å; V73-S115 PolarHBondContact O-N 2.95Å
74S94.7Very high93.3Very high10 Ų1038.4 Ų38.47%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-80.6169.6177.480.60000112.5D76 N77 Y78 Y113S74-D76 PolarHBondContact O-N 2.93Å; S74-D76 PolarHBondContact OG-N 3.5Å; S74-N77 PolarHBondContact O-N 3.25Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact OG-N 3.5Å; S74-Y78 PolarHBondContact N-O 3.43Å; S74-Y78 WeakPolarHBondContact OG-CB 3.47Å; S74-Y78 PolarHBondContact OG-N 3.39Å; S74-Y113 VanDerWaalsContact CA-O 3.27Å; S74-Y113 WeakPolarHBondContact CA-O 3.45Å; S74-Y113 WeakPolarHBondContact CB-O 3.31Å
75S91Very high93.4Very high107 Ų10738.5 Ų38.575%0.74822%0.217SC*.THydrogen-bonded Turntrans-60.5-31.1170.6510000113N77S75-N77 PolarHBondContact O-N 2.67Å
76D91.2Very high93.5Very high107 Ų10736 Ų3657%0.57221%0.205SC*.THydrogen-bonded Turntrans-84.614.2177.9-54.8-42.9000112.3S74 Y78S74-D76 PolarHBondContact O-N 2.93Å; S74-D76 PolarHBondContact OG-N 3.5Å; D76-Y78 HydrophobicContact CB-CD2 3.72Å; D76-Y78 HydrophobicContact CB-CE2 3.64Å; D76-Y78 PolarHBondContact O-N 3.25Å
77N91.9Very high93.2Very high129 Ų12935.9 Ų35.969%0.6921%0.205SC*.  trans61.827.1-179.6-159.954000113.9S74 S75S74-N77 PolarHBondContact O-N 3.25Å; S74-N77 VanDerWaalsContact O-N 3.11Å; S74-N77 PolarHBondContact OG-N 3.5Å; S75-N77 PolarHBondContact O-N 2.67Å
78Y92.6Very high92.8Very high111 Ų11137.5 Ų37.544%0.43521%0.213SC..  trans-82.5133.6171-61.8-52.3000110.8N27 V73 S74 D76N27-Y78 WeakPolarHBondContact ND2-CD1 3.39Å; N27-Y78 WeakPolarHBondContact ND2-CE1 3.3Å; N27-Y78 WeakPolarHBondContact OD1-CA 3.4Å; N27-Y78 VanDerWaalsContact OD1-CB 3.31Å; N27-Y78 WeakPolarHBondContact OD1-CB 3.35Å; N27-Y78 VanDerWaalsContact OD1-CD1 3.26Å; N27-Y78 WeakPolarHBondContact OD1-CD1 3.49Å; V73-Y78 CarbonylContact C-O 3.55Å; V73-Y78 VanDerWaalsContact CA-O 3.28Å; V73-Y78 WeakPolarHBondContact CA-O 3.39Å; S74-Y78 PolarHBondContact N-O 3.43Å; S74-Y78 WeakPolarHBondContact OG-CB 3.47Å; S74-Y78 PolarHBondContact OG-N 3.39Å; D76-Y78 HydrophobicContact CB-CD2 3.72Å; D76-Y78 HydrophobicContact CB-CE2 3.64Å; D76-Y78 PolarHBondContact O-N 3.25Å
79T94.3Very high92Very high24 Ų2438.2 Ų38.215%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-99.5143.5177.459.90000110.2V26 N27 H28 G72 V73V26-T79 CarbonylContact C-O 3.55Å; V26-T79 WeakPolarHBondContact CA-O 3.16Å; N27-T79 WeakPolarHBondContact CA-OG1 3.39Å; N27-T79 PolarHBondContact N-O 2.92Å; N27-T79 PolarHBondContact OD1-N 3.14Å; H28-T79 PolarHBondContact CE1-OG1 2.95Å; H28-T79 PolarHBondContact NE2-OG1 3.27Å; G72-T79 WeakPolarHBondContact O-CA 3.37Å; V73-T79 HydrophobicContact CG2-CG2 4.26Å
80V94.9Very high90.9Very high5 Ų540.3 Ų40.33%0.0324%0.242CC..EExtended strand (participates in β ladder)trans-134.2136.3173.269.70000110S25 V26 S71 G72 V82 F107 L109 F114S25-V80 CarbonylContact O-C 3.42Å; S25-V80 WeakPolarHBondContact O-CA 3.41Å; V26-V80 HydrophobicContact CG2-CG2 4.38Å; S71-V80 CarbonylContact C-O 3.53Å; S71-V80 VanDerWaalsContact CA-O 3.24Å; S71-V80 WeakPolarHBondContact CA-O 3.39Å; G72-V80 PolarHBondContact N-O 3.1Å; G72-V80 PolarHBondContact O-N 3.25Å; V80-V82 HydrophobicContact CG2-CG2 3.88Å; V80-F107 HydrophobicContact CG1-CZ 4.41Å; V80-L109 HydrophobicContact CG1-CD2 4.34Å; V80-L109 HydrophobicContact CG2-CD2 3.93Å; V80-F114 HydrophobicContact CB-CD1 4.41Å; V80-F114 HydrophobicContact CB-CE1 3.83Å; V80-F114 HydrophobicContact CB-CZ 4.13Å; V80-F114 HydrophobicContact CG1-CD1 3.56Å; V80-F114 HydrophobicContact CG1-CD2 4.46Å; V80-F114 HydrophobicContact CG1-CE1 3.46Å; V80-F114 VanDerWaalsContact CG1-CE1 3.46Å; V80-F114 HydrophobicContact CG1-CE2 4.36Å; V80-F114 HydrophobicContact CG1-CG 4.08Å; V80-F114 HydrophobicContact CG1-CZ 3.89Å
81V94.6Very high89.6Confident7 Ų741.5 Ų41.54%0.04225%0.25CS..EExtended strand (participates in β ladder)trans-133.7118.7165.9-176.30000108.3S24 S25 C33 E34 V70S24-V81 CarbonylContact C-O 3.47Å; S24-V81 WeakPolarHBondContact CA-O 3.14Å; S25-V81 PolarHBondContact N-O 3.46Å; S25-V81 PolarHBondContact O-N 2.8Å; C33-V81 VanDerWaalsContact O-CG1 3.28Å; C33-V81 WeakPolarHBondContact O-CG1 3.01Å; E34-V81 WeakPolarHBondContact OE2-CG2 3.22Å; V70-V81 CarbonylContact O-C 3.53Å; V70-V81 VanDerWaalsContact O-CA 3.3Å; V70-V81 WeakPolarHBondContact O-CA 3.32Å
82V94.4Very high87.9Confident34 Ų3449 Ų4921%0.20629%0.288CS..EExtended strand (participates in β ladder)trans-123.8129.7175.2-177.70000108.9C23 K69 V70 V80 L109C23-V82 WeakPolarHBondContact O-CA 3.49Å; K69-V82 CarbonylContact C-O 3.51Å; K69-V82 WeakPolarHBondContact CA-O 3.39Å; V70-V82 HydrophobicContact CB-CB 4.33Å; V70-V82 PolarHBondContact N-O 3.13Å; V70-V82 PolarHBondContact O-N 2.74Å; V80-V82 HydrophobicContact CG2-CG2 3.88Å; V82-L109 HydrophobicContact CG2-CD2 4.5Å
83R93.9Very high86.2Confident4 Ų451.8 Ų51.82%0.01530%0.303CS..EExtended strand (participates in β ladder)trans-117.2130.6167.1-65-169.5-177.775.96.5108.6Y21 L22 C23 C33 D35 I68 K69 N127Y21-R83 CarbonylContact O-C 3.57Å; Y21-R83 WeakPolarHBondContact O-CB 3.37Å; L22-R83 WeakPolarHBondContact CA-O 3.34Å; C23-R83 PolarHBondContact N-O 3.08Å; C23-R83 PolarHBondContact O-N 2.97Å; C23-R83 PolarHBondContact SG-NH1 3.41Å; C33-R83 PolarHBondContact O-NH1 2.96Å; D35-R83 IonicContact OD1-NH2 3.34Å; D35-R83 PolarHBondContact OD1-NH2 3.24Å; I68-R83 WeakPolarHBondContact O-CA 3.18Å; K69-R83 HydrophobicContact CB-CG 4.47Å; K69-R83 HydrophobicContact CG-CG 4.25Å; R83-N127 WeakPolarHBondContact CD-O 3.35Å; R83-N127 PolarHBondContact NE-O 3.13Å
84T93.7Very high84.5Confident58 Ų5850.7 Ų50.736%0.35630%0.3SS..EExtended strand (participates in β ladder)trans-152.7172.5-178.2-168.40000110.6I68I68-T84 HydrophobicContact CB-CG2 4.01Å; I68-T84 PolarHBondContact N-O 3.29Å; I68-T84 PolarHBondContact O-N 3.38Å
85C93.1Very high82.5Confident5 Ų556.7 Ų56.73%0.03433%0.332CS..EExtended strand (participates in β ladder)trans-97.4153.4168.3-51.40000109.8C20 L22 C51 A53 A64 H66C20-C85 WeakPolarHBondContact CB-SG 3.28Å; L22-C85 WeakPolarHBondContact CD1-SG 3.34Å; C51-C85 HydrophobicContact CB-CB 3.8Å; C51-C85 WeakPolarHBondContact CB-SG 3.46Å; C51-C85 WeakPolarHBondContact SG-CB 3.03Å; C51-C85 CovalentContact SG-SG 1.97Å; C51-C85 PolarHBondContact SG-SG 2.9Å; A53-C85 HydrophobicContact CB-CB 4.37Å; A64-C85 HydrophobicContact CB-CB 3.56Å; H66-C85 WeakPolarHBondContact O-CA 3.28Å
86A90.9Very high80.8Confident10 Ų1054.7 Ų54.78%0.08332%0.315CS..EExtended strand (participates in β ladder)trans-143.1158.6174.800000110.7A64 D65 H66 I68 V99A64-A86 WeakPolarHBondContact CB-O 3.3Å; D65-A86 PolarHBondContact N-O 3.35Å; H66-A86 PolarHBondContact N-O 2.82Å; H66-A86 VanDerWaalsContact N-O 3.13Å; H66-A86 PolarHBondContact O-N 2.76Å; I68-A86 HydrophobicContact CD1-CB 3.28Å; I68-A86 HydrophobicContact CG1-CB 3.72Å; A86-V99 HydrophobicContact CB-CG2 3.43Å; A86-V99 VanDerWaalsContact CB-CG2 3.43Å
87M87.6Confident79.6Confident36 Ų3650.1 Ų50.118%0.17729%0.29CS..  trans-119.2129.3174.7-169.2-168.7-172.300108.9A53 R55 F62 D65 S89A53-M87 HydrophobicContact CB-CB 4.22Å; R55-M87 HydrophobicContact CB-SD 3.96Å; R55-M87 HydrophobicContact CG-SD 4.07Å; F62-M87 HydrophobicContact CB-CE 4.07Å; F62-M87 HydrophobicContact CB-SD 3.26Å; F62-M87 WeakPolarHBondContact CB-SD 3.05Å; F62-M87 HydrophobicContact CD2-SD 4.32Å; F62-M87 HydrophobicContact CG-SD 3.82Å; D65-M87 VanDerWaalsContact OD1-CA 3.25Å; D65-M87 WeakPolarHBondContact OD1-CA 3.35Å; M87-S89 PolarHBondContact O-N 3.39Å
88D85Confident78.8Confident33 Ų3348.1 Ų48.118%0.17628%0.279CS..  trans-61.7119.4167.2-171.6-37.6000108.9D65 G90 V99 R100D65-D88 PolarHBondContact OD1-N 2.98Å; D65-D88 WeakPolarHBondContact OD2-CB 3.31Å; D65-D88 PolarHBondContact OD2-N 2.86Å; D88-G90 PolarHBondContact O-N 2.8Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.82Å; D88-V99 HydrophobicContact CB-CG1 4.12Å; D88-R100 VanDerWaalsContact CG-NH2 3.33Å; D88-R100 IonicContact OD1-CZ 3.83Å; D88-R100 IonicContact OD1-NE 3.93Å; D88-R100 PolarHBondContact OD1-NE 2.78Å; D88-R100 IonicContact OD1-NH2 3.76Å; D88-R100 PolarHBondContact OD1-NH2 3.21Å; D88-R100 IonicContact OD2-CZ 3.35Å; D88-R100 IonicContact OD2-NE 2.72Å; D88-R100 PolarHBondContact OD2-NE 3.23Å; D88-R100 IonicContact OD2-NH2 2.98Å; D88-R100 PolarHBondContact OD2-NH2 3.23Å; D88-R100 VanDerWaalsContact OD2-NH2 3.12Å
89S75.7Confident77.9Confident20 Ų2043.1 Ų43.114%0.1426%0.26CS..  trans-80.6-5.1-177.5-55.40000112.4R55 K56 M87 S91 E97R55-S89 WeakPolarHBondContact CG-OG 3.48Å; R55-S89 PolarHBondContact NE-O 3.26Å; R55-S89 PolarHBondContact NH2-O 3.37Å; K56-S89 WeakPolarHBondContact CB-OG 3.46Å; K56-S89 PolarHBondContact N-OG 3.04Å; M87-S89 PolarHBondContact O-N 3.39Å; S89-S91 VanDerWaalsContact C-N 3.29Å; S89-E97 WeakPolarHBondContact CA-OE1 3.37Å; S89-E97 WeakPolarHBondContact CB-OE1 3.3Å; S89-E97 VanDerWaalsContact N-CD 3.34Å; S89-E97 PolarHBondContact N-OE1 3.05Å; S89-E97 PolarHBondContact N-OE2 3.05Å
90G70.4Confident77Confident48 Ų4846.5 Ų46.550%0.49527%0.27SS..  trans77.113.917800000112.9D88 E97D88-G90 PolarHBondContact O-N 2.8Å; D88-G90 WeakPolarHBondContact OD1-CA 3.44Å; D88-G90 PolarHBondContact OD1-N 2.82Å; G90-E97 PolarHBondContact N-OE1 2.73Å
91S66.7Low76.1Confident35 Ų3549.8 Ų49.825%0.24529%0.285CS..  trans-60.2148.8178.1-174.50000110.6S89 T93 E97 R100S89-S91 VanDerWaalsContact C-N 3.29Å; S91-T93 PolarHBondContact O-N 2.72Å; S91-T93 PolarHBondContact OG-N 3.12Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; S91-E97 WeakPolarHBondContact CA-OE1 3.34Å; S91-E97 WeakPolarHBondContact CB-OE1 2.8Å; S91-E97 PolarHBondContact N-OE1 2.84Å; S91-R100 PolarHBondContact O-NH1 2.89Å; S91-R100 PolarHBondContact O-NH2 3.12Å
92L59Low75.8Confident177 Ų17752.7 Ų52.793%0.92731%0.306SS*.SBendtrans-72-15.2172.9-65.2174.7000112.2
93T59.4Low75.7Confident67 Ų6754.5 Ų54.541%0.41131%0.313SS..  trans-101.697.1-179.950.60000110.3S91 D95 T96S91-T93 PolarHBondContact O-N 2.72Å; S91-T93 PolarHBondContact OG-N 3.12Å; S91-T93 PolarHBondContact OG-OG1 3.35Å; T93-D95 PolarHBondContact O-N 3.45Å; T93-D95 VanDerWaalsContact O-N 3.17Å; T93-T96 PolarHBondContact O-N 2.59Å; T93-T96 PolarHBondContact O-OG1 3.48Å; T93-T96 VanDerWaalsContact OG1-CG2 3.29Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-T96 PolarHBondContact OG1-OG1 3.4Å
94A59.3Low75.6Confident37 Ų3758.5 Ų58.531%0.30634%0.34SS..G310 helixtrans-55.1-31.2175.200000112.3T96 E97 R100A94-T96 PolarHBondContact O-N 2.98Å; A94-T96 VanDerWaalsContact O-N 3.13Å; A94-E97 PolarHBondContact O-N 2.83Å; A94-R100 HydrophobicContact CB-CB 4.17Å
95D52.5Low75.6Confident137 Ų13757 Ų5773%0.73334%0.337SS*.G310 helixtrans-67.3-12.8-180-51.6-29.3000113.8T93 M101T93-D95 PolarHBondContact O-N 3.45Å; T93-D95 VanDerWaalsContact O-N 3.17Å; D95-M101 WeakPolarHBondContact OD1-CE 3.38Å
96T56.6Low75.6Confident65 Ų6564 Ų6440%0.39937%0.368SS..G310 helixtrans-101.3-2.1-179.3700000113.7K56 T93 A94K56-T96 PolarHBondContact NZ-OG1 2.03Å; T93-T96 PolarHBondContact O-N 2.59Å; T93-T96 PolarHBondContact O-OG1 3.48Å; T93-T96 VanDerWaalsContact OG1-CG2 3.29Å; T93-T96 WeakPolarHBondContact OG1-CG2 3.38Å; T93-T96 PolarHBondContact OG1-OG1 3.4Å; A94-T96 PolarHBondContact O-N 2.98Å; A94-T96 VanDerWaalsContact O-N 3.13Å
97E66.1Low75.6Confident10 Ų1064.5 Ų64.55%0.04737%0.369CS..  trans-126.1109.6-177.6-64.8-170.9-164.600110.1S89 G90 S91 A94 V99 R100S89-E97 WeakPolarHBondContact CA-OE1 3.37Å; S89-E97 WeakPolarHBondContact CB-OE1 3.3Å; S89-E97 VanDerWaalsContact N-CD 3.34Å; S89-E97 PolarHBondContact N-OE1 3.05Å; S89-E97 PolarHBondContact N-OE2 3.05Å; G90-E97 PolarHBondContact N-OE1 2.73Å; S91-E97 WeakPolarHBondContact CA-OE1 3.34Å; S91-E97 WeakPolarHBondContact CB-OE1 2.8Å; S91-E97 PolarHBondContact N-OE1 2.84Å; A94-E97 PolarHBondContact O-N 2.83Å; E97-V99 PolarHBondContact O-N 3.09Å; E97-R100 PolarHBondContact O-N 2.8Å
98I73.7Confident75.7Confident87 Ų8767.6 Ų67.645%0.44639%0.385SS..G310 helixtrans-51.6-28179-170.1170.2000112.7I68 V70 R100 M101 V118 T120I68-I98 HydrophobicContact CD1-CB 4.34Å; I68-I98 HydrophobicContact CD1-CD1 4.34Å; I68-I98 HydrophobicContact CD1-CG1 4.11Å; I68-I98 HydrophobicContact CD1-CG2 3.5Å; I68-I98 VanDerWaalsContact CD1-CG2 3.5Å; I68-I98 HydrophobicContact CG2-CD1 4.38Å; V70-I98 HydrophobicContact CG2-CD1 4.38Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.94Å; I98-M101 PolarHBondContact O-N 3.36Å; I98-V118 HydrophobicContact CD1-CG1 3.92Å; I98-V118 HydrophobicContact CG1-CG1 3.66Å; I98-T120 VanDerWaalsContact O-CG2 3.3Å; I98-T120 WeakPolarHBondContact O-CG2 3.24Å
99V74.4Confident75.8Confident6 Ų668.4 Ų68.44%0.03639%0.389CS..G310 helixtrans-57.2-36.8177.5-179.70000112.8H66 I68 A86 D88 E97 T120H66-V99 HydrophobicContact CB-CG1 3.79Å; H66-V99 WeakPolarHBondContact ND1-CG1 3.36Å; I68-V99 HydrophobicContact CD1-CG2 4.39Å; A86-V99 HydrophobicContact CB-CG2 3.43Å; A86-V99 VanDerWaalsContact CB-CG2 3.43Å; D88-V99 HydrophobicContact CB-CG1 4.12Å; E97-V99 PolarHBondContact O-N 3.09Å; V99-T120 WeakPolarHBondContact O-CB 3.39Å; V99-T120 WeakPolarHBondContact O-CG2 3.21Å; V99-T120 PolarHBondContact O-OG1 3.38Å
100R74.9Confident76.3Confident96 Ų9673.9 Ų73.936%0.36242%0.416SS..G310 helixtrans-93.50.1-172.2-65-175.4177.6176.310.9114.2D88 S91 A94 E97 I98D88-R100 VanDerWaalsContact CG-NH2 3.33Å; D88-R100 IonicContact OD1-CZ 3.83Å; D88-R100 IonicContact OD1-NE 3.93Å; D88-R100 PolarHBondContact OD1-NE 2.78Å; D88-R100 IonicContact OD1-NH2 3.76Å; D88-R100 PolarHBondContact OD1-NH2 3.21Å; D88-R100 IonicContact OD2-CZ 3.35Å; D88-R100 IonicContact OD2-NE 2.72Å; D88-R100 PolarHBondContact OD2-NE 3.23Å; D88-R100 IonicContact OD2-NH2 2.98Å; D88-R100 PolarHBondContact OD2-NH2 3.23Å; D88-R100 VanDerWaalsContact OD2-NH2 3.12Å; S91-R100 PolarHBondContact O-NH1 2.89Å; S91-R100 PolarHBondContact O-NH2 3.12Å; A94-R100 HydrophobicContact CB-CB 4.17Å; E97-R100 PolarHBondContact O-N 2.8Å; I98-R100 VanDerWaalsContact C-N 3.27Å; I98-R100 PolarHBondContact O-N 2.94Å
101M76.5Confident77.1Confident73 Ų7378.8 Ų78.836%0.3643%0.432SS..  trans-128.482.8-171.9-162.670.872.500112.2D95 I98 H103D95-M101 WeakPolarHBondContact OD1-CE 3.38Å; I98-M101 PolarHBondContact O-N 3.36Å; M101-H103 PolarHBondContact O-N 2.81Å; M101-H103 PolarHBondContact O-ND1 2.7Å
102S88.1Confident78.2Confident69 Ų6981.6 Ų81.648%0.48344%0.44SS..  trans-77.2111.1165.3-82.10000110.2V118 T120S102-V118 CarbonylContact C-O 3.53Å; S102-V118 VanDerWaalsContact CA-O 3.32Å; S102-V118 WeakPolarHBondContact CA-O 3.37Å; S102-T120 PolarHBondContact OG-N 3.27Å; S102-T120 PolarHBondContact OG-O 3.03Å; S102-T120 PolarHBondContact OG-OG1 3.49Å
103H91.5Very high79.8Confident72 Ų7280.7 Ų80.733%0.33343%0.426SS..EExtended strand (participates in β ladder)trans-150.1158.6-179.972.3-71.3000112.2M101 C117 V118M101-H103 PolarHBondContact O-N 2.81Å; M101-H103 PolarHBondContact O-ND1 2.7Å; H103-C117 WeakPolarHBondContact O-CA 3.16Å; H103-V118 PolarHBondContact N-O 2.91Å; H103-V118 PolarHBondContact O-N 3.49Å; H103-V118 VanDerWaalsContact O-O 3.09Å
104C93.5Very high81.5Confident87 Ų8778.5 Ų78.559%0.58841%0.411SS*.EExtended strand (participates in β ladder)trans-118.5141.4168.3-61.70000109.1G116 C117C104-G116 CarbonylContact C-O 3.58Å; C104-G116 WeakPolarHBondContact CA-O 3.37Å; C104-C117 HydrophobicContact CB-CB 4.11Å; C104-C117 WeakPolarHBondContact CB-SG 3.42Å; C104-C117 WeakPolarHBondContact SG-CB 3.34Å; C104-C117 CovalentContact SG-SG 2.05Å; C104-C117 PolarHBondContact SG-SG 3.02Å
105G93.3Very high83.2Confident28 Ų2879.8 Ų79.829%0.28942%0.417SS..EExtended strand (participates in β ladder)trans150.4-145.1-173.300000110.5G116G105-G116 PolarHBondContact N-O 2.78Å; G105-G116 PolarHBondContact O-N 2.86Å; G105-G116 VanDerWaalsContact O-O 3.13Å
106H92.1Very high85.2Confident150 Ų15074.1 Ų74.169%0.69439%0.392SS*.EExtended strand (participates in β ladder)trans-93.5136.5179.8-58.9-65.8000111.1F114H106-F114 VanDerWaalsContact CA-O 3.28Å; H106-F114 WeakPolarHBondContact CA-O 3.44Å
107F91Very high87Confident22 Ų2272.5 Ų72.510%0.09638%0.382CS..EExtended strand (participates in β ladder)trans-141.3159.3172.964.7-89.2000110.6V70 V80 L109 F114 V118V70-F107 HydrophobicContact CG1-CD2 4.3Å; V70-F107 HydrophobicContact CG1-CE1 4.32Å; V70-F107 HydrophobicContact CG1-CE2 3.44Å; V70-F107 VanDerWaalsContact CG1-CE2 3.44Å; V70-F107 HydrophobicContact CG1-CZ 3.45Å; V70-F107 VanDerWaalsContact CG1-CZ 3.45Å; V80-F107 HydrophobicContact CG1-CZ 4.41Å; F107-L109 HydrophobicContact CD2-CB 4.21Å; F107-L109 HydrophobicContact CE2-CB 4.06Å; F107-F114 HydrophobicContact CD1-CB 4.21Å; F107-F114 HydrophobicContact CD2-CB 4.08Å; F107-F114 HydrophobicContact CD2-CD2 4.48Å; F107-F114 HydrophobicContact CE1-CB 3.74Å; F107-F114 HydrophobicContact CE2-CB 3.59Å; F107-F114 AromaticContact CE2-CD2 3.95Å; F107-F114 HydrophobicContact CE2-CD2 3.95Å; F107-F114 AromaticContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CG-CB 4.38Å; F107-F114 HydrophobicContact CZ-CB 3.4Å; F107-F114 HydrophobicContact CZ-CD2 4.48Å; F107-F114 HydrophobicContact CZ-CG 4.01Å; F107-F114 PolarHBondContact N-O 3.4Å; F107-F114 PolarHBondContact O-N 2.9Å; F107-V118 HydrophobicContact CB-CG2 4.5Å; F107-V118 HydrophobicContact CD1-CG2 4.21Å; F107-V118 HydrophobicContact CG-CG2 4.21Å
108I89.5Confident88.3Confident101 Ų10172.3 Ų72.352%0.51838%0.382SS..EExtended strand (participates in β ladder)trans-107.6130.5174.7-58.9173.1000107.7H112 Y113I108-H112 WeakPolarHBondContact CA-O 3.33Å; I108-Y113 HydrophobicContact CD1-CD1 4.25Å; I108-Y113 HydrophobicContact CD1-CE1 3.59Å; I108-Y113 HydrophobicContact CG1-CD1 3.8Å; I108-Y113 HydrophobicContact CG1-CE1 3.68Å; I108-Y113 HydrophobicContact CG1-CG 4.41Å
109L87.4Confident89.2Confident50 Ų5071 Ų7126%0.26237%0.374SS..EExtended strand (participates in β ladder)trans-135.2125.9173.5177.867000107.9V80 V82 F107 D111 H112 F114V80-L109 HydrophobicContact CG1-CD2 4.34Å; V80-L109 HydrophobicContact CG2-CD2 3.93Å; V82-L109 HydrophobicContact CG2-CD2 4.5Å; F107-L109 HydrophobicContact CD2-CB 4.21Å; F107-L109 HydrophobicContact CE2-CB 4.06Å; L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.32Å; L109-H112 PolarHBondContact N-O 3.45Å; L109-H112 PolarHBondContact O-N 3.02Å; L109-F114 HydrophobicContact CB-CD2 3.99Å; L109-F114 HydrophobicContact CB-CE2 3.92Å
110D86.8Confident90Very high134 Ų13472.2 Ų72.272%0.71738%0.381SS*.THydrogen-bonded Turntrans45.851.3-178.8-60.2-24.1000113.3H112D110-H112 PolarHBondContact O-CE1 2.96Å; D110-H112 PolarHBondContact O-N 3.21Å; D110-H112 VanDerWaalsContact O-N 3.14Å; D110-H112 PolarHBondContact O-ND1 3.42Å
111D86.9Confident90.8Very high152 Ų15269.2 Ų69.281%0.81338%0.375SS*.THydrogen-bonded Turntrans64.110.2-178.8-56.7-46.2000116.3L109L109-D111 VanDerWaalsContact C-N 3.32Å; L109-D111 PolarHBondContact O-N 3.32Å
112H89.1Confident91.5Very high93 Ų9371 Ų7143%0.43139%0.386SS..EExtended strand (participates in β ladder)trans-110.1140.3175.8-62.579000111.6I108 L109 D110 F114I108-H112 WeakPolarHBondContact CA-O 3.33Å; L109-H112 PolarHBondContact N-O 3.45Å; L109-H112 PolarHBondContact O-N 3.02Å; D110-H112 PolarHBondContact O-CE1 2.96Å; D110-H112 PolarHBondContact O-N 3.21Å; D110-H112 VanDerWaalsContact O-N 3.14Å; D110-H112 PolarHBondContact O-ND1 3.42Å; H112-F114 HydrophobicContact CB-CD2 4.29Å; H112-F114 HydrophobicContact CB-CE2 3.56Å; H112-F114 HydrophobicContact CB-CZ 4.06Å; H112-F114 WeakPolarHBondContact O-CD2 3.49Å
113Y93.2Very high91.7Very high159 Ų15971.7 Ų71.762%0.62439%0.387SS*.EExtended strand (participates in β ladder)trans-84.2128.4174.9-72.9-91.3000110.6S74 I108S74-Y113 VanDerWaalsContact CA-O 3.27Å; S74-Y113 WeakPolarHBondContact CA-O 3.45Å; S74-Y113 WeakPolarHBondContact CB-O 3.31Å; I108-Y113 HydrophobicContact CD1-CD1 4.25Å; I108-Y113 HydrophobicContact CD1-CE1 3.59Å; I108-Y113 HydrophobicContact CG1-CD1 3.8Å; I108-Y113 HydrophobicContact CG1-CE1 3.68Å; I108-Y113 HydrophobicContact CG1-CG 4.41Å
114F95.1Very high91.7Very high20 Ų2073.5 Ų73.59%0.08840%0.4CS..EExtended strand (participates in β ladder)trans-122.9148.5176.1-67.8-88.9000111.2V73 V80 H106 F107 L109 H112V73-F114 WeakPolarHBondContact O-CA 3.36Å; V80-F114 HydrophobicContact CB-CD1 4.41Å; V80-F114 HydrophobicContact CB-CE1 3.83Å; V80-F114 HydrophobicContact CB-CZ 4.13Å; V80-F114 HydrophobicContact CG1-CD1 3.56Å; V80-F114 HydrophobicContact CG1-CD2 4.46Å; V80-F114 HydrophobicContact CG1-CE1 3.46Å; V80-F114 VanDerWaalsContact CG1-CE1 3.46Å; V80-F114 HydrophobicContact CG1-CE2 4.36Å; V80-F114 HydrophobicContact CG1-CG 4.08Å; V80-F114 HydrophobicContact CG1-CZ 3.89Å; H106-F114 VanDerWaalsContact CA-O 3.28Å; H106-F114 WeakPolarHBondContact CA-O 3.44Å; F107-F114 HydrophobicContact CD1-CB 4.21Å; F107-F114 HydrophobicContact CD2-CB 4.08Å; F107-F114 HydrophobicContact CD2-CD2 4.48Å; F107-F114 HydrophobicContact CE1-CB 3.74Å; F107-F114 HydrophobicContact CE2-CB 3.59Å; F107-F114 AromaticContact CE2-CD2 3.95Å; F107-F114 HydrophobicContact CE2-CD2 3.95Å; F107-F114 AromaticContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CE2-CG 3.94Å; F107-F114 HydrophobicContact CG-CB 4.38Å; F107-F114 HydrophobicContact CZ-CB 3.4Å; F107-F114 HydrophobicContact CZ-CD2 4.48Å; F107-F114 HydrophobicContact CZ-CG 4.01Å; F107-F114 PolarHBondContact N-O 3.4Å; F107-F114 PolarHBondContact O-N 2.9Å; L109-F114 HydrophobicContact CB-CD2 3.99Å; L109-F114 HydrophobicContact CB-CE2 3.92Å; H112-F114 HydrophobicContact CB-CD2 4.29Å; H112-F114 HydrophobicContact CB-CE2 3.56Å; H112-F114 HydrophobicContact CB-CZ 4.06Å; H112-F114 WeakPolarHBondContact O-CD2 3.49Å
115S95.9Very high91.5Very high64 Ų6470.1 Ų70.145%0.44838%0.379SS..EExtended strand (participates in β ladder)trans-107.4120.8164.9-174.40000108.7G72 V73G72-S115 CarbonylContact C-O 3.47Å; G72-S115 VanDerWaalsContact CA-O 3.23Å; G72-S115 WeakPolarHBondContact CA-O 3.28Å; V73-S115 PolarHBondContact N-O 3.33Å; V73-S115 PolarHBondContact O-N 2.95Å
116G94.2Very high91.5Very high19 Ų1970.6 Ų70.620%0.19638%0.378CS..EExtended strand (participates in β ladder)trans175.1-147.5-17400000114.2S71 C104 G105S71-G116 CarbonylContact O-C 3.55Å; S71-G116 WeakPolarHBondContact O-CA 2.98Å; C104-G116 CarbonylContact C-O 3.58Å; C104-G116 WeakPolarHBondContact CA-O 3.37Å; G105-G116 PolarHBondContact N-O 2.78Å; G105-G116 PolarHBondContact O-N 2.86Å; G105-G116 VanDerWaalsContact O-O 3.13Å
117C93.8Very high91.5Very high30 Ų3063.7 Ų63.720%0.20335%0.346CS..EExtended strand (participates in β ladder)trans-132.7141.2-178.5-62.80000111.5V70 S71 H103 C104 Q119V70-C117 WeakPolarHBondContact CA-O 2.92Å; S71-C117 PolarHBondContact N-O 3.45Å; S71-C117 PolarHBondContact O-N 3.48Å; H103-C117 WeakPolarHBondContact O-CA 3.16Å; C104-C117 HydrophobicContact CB-CB 4.11Å; C104-C117 WeakPolarHBondContact CB-SG 3.42Å; C104-C117 WeakPolarHBondContact SG-CB 3.34Å; C104-C117 CovalentContact SG-SG 2.05Å; C104-C117 PolarHBondContact SG-SG 3.02Å; C117-Q119 HydrophobicContact CB-CG 4.1Å
118V92.9Very high91.2Very high6 Ų664.4 Ų64.44%0.03636%0.356CS..EExtended strand (participates in β ladder)trans-112.2119.6164.9179.30000106.7V70 I98 S102 H103 F107V70-V118 HydrophobicContact CG1-CG2 4.37Å; V70-V118 HydrophobicContact CG2-CG1 4.4Å; V70-V118 HydrophobicContact CG2-CG2 4.35Å; I98-V118 HydrophobicContact CD1-CG1 3.92Å; I98-V118 HydrophobicContact CG1-CG1 3.66Å; S102-V118 CarbonylContact C-O 3.53Å; S102-V118 VanDerWaalsContact CA-O 3.32Å; S102-V118 WeakPolarHBondContact CA-O 3.37Å; H103-V118 PolarHBondContact N-O 2.91Å; H103-V118 PolarHBondContact O-N 3.49Å; H103-V118 VanDerWaalsContact O-O 3.09Å; F107-V118 HydrophobicContact CB-CG2 4.5Å; F107-V118 HydrophobicContact CD1-CG2 4.21Å; F107-V118 HydrophobicContact CG-CG2 4.21Å
119Q92.2Very high90.6Very high61 Ų6160.1 Ų60.129%0.28534%0.336SS..EExtended strand (participates in β ladder)trans-124.9132.7-174.1-50.3-174.2-78.600109.4I68 K69 C117I68-Q119 CarbonylContact C-O 3.5Å; I68-Q119 WeakPolarHBondContact CA-O 3.39Å; K69-Q119 HydrophobicContact CB-CB 4.46Å; K69-Q119 PolarHBondContact N-O 3.38Å; K69-Q119 PolarHBondContact O-N 2.91Å; C117-Q119 HydrophobicContact CB-CG 4.1Å
120T92.1Very high89.7Confident30 Ų3067.3 Ų67.318%0.18436%0.36CS..EExtended strand (participates in β ladder)trans-125.4145.5-179.263.40000110.2C67 I68 I98 V99 S102C67-T120 WeakPolarHBondContact O-CA 3.37Å; I68-T120 HydrophobicContact CD1-CG2 4.42Å; I68-T120 HydrophobicContact CG1-CG2 4.08Å; I98-T120 VanDerWaalsContact O-CG2 3.3Å; I98-T120 WeakPolarHBondContact O-CG2 3.24Å; V99-T120 WeakPolarHBondContact O-CB 3.39Å; V99-T120 WeakPolarHBondContact O-CG2 3.21Å; V99-T120 PolarHBondContact O-OG1 3.38Å; S102-T120 PolarHBondContact OG-N 3.27Å; S102-T120 PolarHBondContact OG-O 3.03Å; S102-T120 PolarHBondContact OG-OG1 3.49Å
121C92.2Very high88.4Confident34 Ų3470.3 Ų70.323%0.2336%0.361CS..EExtended strand (participates in β ladder)trans-159.7162.6-179.954.70000110.3H66 C67 C126H66-C121 CarbonylContact C-O 3.56Å; H66-C121 VanDerWaalsContact CA-O 3.29Å; H66-C121 WeakPolarHBondContact CA-O 3.47Å; C67-C121 PolarHBondContact N-O 2.83Å; C67-C121 PolarHBondContact O-N 3.34Å; C67-C121 VanDerWaalsContact O-N 3.09Å; C121-C126 HydrophobicContact CB-CB 3.69Å; C121-C126 WeakPolarHBondContact CB-SG 3Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.01Å; C121-C126 PolarHBondContact SG-SG 2.97Å
122D91.6Very high86.9Confident110 Ų11074 Ų7459%0.58836%0.364SS*.  trans-126.923-163.561.8-12.1000113.2
123T91.5Very high85.4Confident84 Ų8480.1 Ų80.152%0.51538%0.383SS..SBendtrans-125.7154.3179.149.90000111.4G125 C126T123-G125 PolarHBondContact O-N 3.28Å; T123-C126 WeakPolarHBondContact O-CB 3.1Å; T123-C126 PolarHBondContact O-N 3.31Å; T123-C126 VanDerWaalsContact O-N 3.16Å; T123-C126 PolarHBondContact O-SG 2.81Å; T123-C126 VanDerWaalsContact OG1-CB 3.28Å; T123-C126 WeakPolarHBondContact OG1-CB 3.26Å
124D91.9Very high83.9Confident110 Ų11078.7 Ų78.759%0.58839%0.385SS*.THydrogen-bonded Turntrans-57126.8-175.7-70.3-39.8000111.9T19 C126T19-D124 WeakPolarHBondContact CB-OD1 3.32Å; T19-D124 PolarHBondContact N-OD1 3.28Å; T19-D124 CarbonylContact O-C 3.52Å; T19-D124 WeakPolarHBondContact O-CA 3.37Å; T19-D124 PolarHBondContact OG1-OD1 2.82Å; D124-C126 PolarHBondContact O-N 2.89Å
125G89.8Confident82.3Confident15 Ų1582.1 Ų82.116%0.15541%0.407CS..THydrogen-bonded Turntrans66.516.717700000114.6T19 Y21 T123 N127 A128T19-G125 PolarHBondContact O-N 3.37Å; Y21-G125 WeakPolarHBondContact CE2-O 3.29Å; T123-G125 PolarHBondContact O-N 3.28Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.86Å; G125-A128 PolarHBondContact O-N 2.97Å
126C91.6Very high80.9Confident39 Ų3981.6 Ų81.626%0.26441%0.407SS..THydrogen-bonded Turntrans-69.1-21-172.666.60000114.3C121 T123 D124 A128C121-C126 HydrophobicContact CB-CB 3.69Å; C121-C126 WeakPolarHBondContact CB-SG 3Å; C121-C126 WeakPolarHBondContact SG-CB 3.47Å; C121-C126 CovalentContact SG-SG 2.01Å; C121-C126 PolarHBondContact SG-SG 2.97Å; T123-C126 WeakPolarHBondContact O-CB 3.1Å; T123-C126 PolarHBondContact O-N 3.31Å; T123-C126 VanDerWaalsContact O-N 3.16Å; T123-C126 PolarHBondContact O-SG 2.81Å; T123-C126 VanDerWaalsContact OG1-CB 3.28Å; T123-C126 WeakPolarHBondContact OG1-CB 3.26Å; D124-C126 PolarHBondContact O-N 2.89Å; C126-A128 PolarHBondContact O-N 3.41Å
127N92Very high79.9Confident5 Ų584.7 Ų84.73%0.02742%0.424CS..THydrogen-bonded Turntrans-81.418.1178.268.5-22000113.6Y21 C67 I68 K69 R83 G125Y21-N127 WeakPolarHBondContact CB-OD1 3.31Å; Y21-N127 WeakPolarHBondContact CD2-OD1 3.09Å; Y21-N127 PolarHBondContact N-OD1 3.1Å; Y21-N127 PolarHBondContact O-ND2 3.23Å; C67-N127 HydrophobicContact CB-CB 3.66Å; I68-N127 PolarHBondContact O-ND2 2.73Å; K69-N127 HydrophobicContact CB-CB 4.15Å; R83-N127 WeakPolarHBondContact CD-O 3.35Å; R83-N127 PolarHBondContact NE-O 3.13Å; G125-N127 VanDerWaalsContact C-N 3.26Å; G125-N127 PolarHBondContact O-N 2.86Å
128A84.9Confident79Confident36 Ų3688.6 Ų88.630%0.29844%0.442SS..  trans-60.6161.2173.900000113Y21 F37 G125 C126Y21-A128 HydrophobicContact CD2-CB 4.14Å; Y21-A128 HydrophobicContact CE2-CB 3.84Å; F37-A128 HydrophobicContact CD1-CB 4.46Å; G125-A128 PolarHBondContact O-N 2.97Å; C126-A128 PolarHBondContact O-N 3.41Å
129G77.7Confident78.3Confident11 Ų1193.6 Ų93.611%0.11347%0.467CS..  trans-60.5151.4171.300000112.4R131G129-R131 PolarHBondContact O-N 3.43Å
130R67.7Low77.7Confident201 Ų20196.1 Ų96.176%0.75848%0.481SS*.  trans-66.1105.4171.6-84.4-176.6172.7-176.9-0108.2R132R130-R132 PolarHBondContact O-N 3.44Å
131R59.8Low77.3Confident197 Ų19797.5 Ų97.574%0.74350%0.496SS*.  trans-56.5115.6162.5-70.8-170.5-174.7-166.7-0.6107.3G129 R133G129-R131 PolarHBondContact O-N 3.43Å; R131-R133 PolarHBondContact O-N 2.94Å
132R56.7Low77.1Confident229 Ų229101.2 Ų101.286%0.86451%0.513SS*.  trans-56.7104.8168.3-73.2-172.3176.7-164.50.4106.7R130 I134R130-R132 PolarHBondContact O-N 3.44Å; R132-I134 HydrophobicContact CB-CG1 4.27Å; R132-I134 PolarHBondContact O-N 2.81Å
133R56.6Low76.8Confident222 Ų22299.2 Ų99.284%0.83851%0.508SS*.  trans-71.383.5173.9-72.9-170.1-178-174.31.8107.9R131 V135R131-R133 PolarHBondContact O-N 2.94Å; R133-V135 PolarHBondContact O-N 2.97Å
134I61.5Low76.7Confident129 Ų129101.2 Ų101.266%0.66251%0.509SS*.THydrogen-bonded Turntrans-66.9-13.6176-62.3170.7000111R132 P137R132-I134 HydrophobicContact CB-CG1 4.27Å; R132-I134 PolarHBondContact O-N 2.81Å; I134-P137 VanDerWaalsContact O-CD 3.31Å; I134-P137 WeakPolarHBondContact O-CD 3.36Å; I134-P137 WeakPolarHBondContact O-CG 3.35Å
135V62.5Low76.4Confident92 Ų9298.7 Ų98.756%0.55850%0.504SS*.THydrogen-bonded Turntrans-81.9-21.1-172.4-149.20000114.1R133 L138 I139R133-V135 PolarHBondContact O-N 2.97Å; V135-L138 PolarHBondContact O-N 2.94Å; V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 PolarHBondContact O-N 2.84Å
136A65.8Low76.4Confident53 Ų53103.3 Ų103.344%0.43852%0.524SS..Hα-helixtrans-58.1-45.3-177.200000114.5L138 I140A136-L138 PolarHBondContact O-N 2.81Å; A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.26Å
137P72.2Confident76.1Confident85 Ų85106.4 Ų106.455%0.55254%0.538SS*.Hα-helixtrans-67.8-30.9-179.424.5-34.8000113.8I134 A141I134-P137 VanDerWaalsContact O-CD 3.31Å; I134-P137 WeakPolarHBondContact O-CD 3.36Å; I134-P137 WeakPolarHBondContact O-CG 3.35Å; P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 3.49Å
138L76.1Confident75.8Confident112 Ų112110.3 Ų110.359%0.58656%0.558SS**Hα-helixtrans-70.3-41-179.5-74.2170.9000112.2V135 A136 A141 L142V135-L138 PolarHBondContact O-N 2.94Å; A136-L138 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 3.4Å; L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 3.39Å
139I77.3Confident75.6Confident110 Ų110112.1 Ų112.156%0.56457%0.568SS**Hα-helixtrans-66.3-41.7178.2-61.2173.4000110.2V135 L142 S143V135-I139 HydrophobicContact CG1-CD1 4.22Å; V135-I139 HydrophobicContact CG1-CG1 4.43Å; V135-I139 PolarHBondContact O-N 2.84Å; I139-L142 PolarHBondContact O-N 3.32Å; I139-S143 WeakPolarHBondContact O-CB 3.23Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 3.44Å; I139-S143 VanDerWaalsContact O-OG 3.14Å
140I79.4Confident75.7Confident114 Ų114119.2 Ų119.259%0.58560%0.599SS**Hα-helixtrans-62.8-46.2176-63.3168.8000110.2A136 L142 S143 F144A136-I140 WeakPolarHBondContact O-CG1 3.45Å; A136-I140 PolarHBondContact O-N 3.26Å; I140-L142 PolarHBondContact O-N 3.14Å; I140-S143 WeakPolarHBondContact CA-OG 3.09Å; I140-S143 PolarHBondContact O-N 3.38Å; I140-S143 PolarHBondContact O-OG 3.13Å; I140-F144 WeakPolarHBondContact O-CB 3.27Å; I140-F144 PolarHBondContact O-N 3.05Å
141A84.3Confident75.9Confident59 Ų59116.1 Ų116.149%0.48859%0.594SS.*Hα-helixtrans-62.4-43.1178.100000113P137 L138 F144 A145P137-A141 WeakPolarHBondContact O-CB 3.49Å; P137-A141 PolarHBondContact O-N 3.49Å; L138-A141 PolarHBondContact O-N 3.4Å; A141-F144 PolarHBondContact O-N 2.75Å; A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.27Å
142L87.2Confident76.4Confident113 Ų113111.4 Ų111.459%0.59259%0.587SS**Hα-helixtrans-63.2-43.8175.5-92.6147.1000112.1L138 I139 I140 F144 A145 L146L138-L142 WeakPolarHBondContact O-CB 3.28Å; L138-L142 PolarHBondContact O-N 3.39Å; I139-L142 PolarHBondContact O-N 3.32Å; I140-L142 PolarHBondContact O-N 3.14Å; L142-F144 VanDerWaalsContact C-N 3.35Å; L142-F144 PolarHBondContact O-N 2.96Å; L142-A145 PolarHBondContact O-N 2.88Å; L142-L146 WeakPolarHBondContact O-CB 3.21Å; L142-L146 PolarHBondContact O-N 2.93Å
143S87Confident76.9Confident68 Ų68105.2 Ų105.248%0.47658%0.577SS.*Hα-helixtrans-64.3-39177.365.30000112.3I139 I140 L146 L147I139-S143 WeakPolarHBondContact O-CB 3.23Å; I139-S143 PolarHBondContact O-N 2.91Å; I139-S143 PolarHBondContact O-OG 3.44Å; I139-S143 VanDerWaalsContact O-OG 3.14Å; I140-S143 WeakPolarHBondContact CA-OG 3.09Å; I140-S143 PolarHBondContact O-N 3.38Å; I140-S143 PolarHBondContact O-OG 3.13Å; S143-L146 PolarHBondContact O-N 2.98Å; S143-L147 WeakPolarHBondContact O-CB 3.35Å; S143-L147 PolarHBondContact O-N 3Å
144F87.6Confident77.1Confident126 Ų12699.4 Ų99.455%0.55357%0.568SS**Hα-helixtrans-68.7-41.7175.7-164.1-103.7000112I140 A141 L142 L147 L148I140-F144 WeakPolarHBondContact O-CB 3.27Å; I140-F144 PolarHBondContact O-N 3.05Å; A141-F144 PolarHBondContact O-N 2.75Å; L142-F144 VanDerWaalsContact C-N 3.35Å; L142-F144 PolarHBondContact O-N 2.96Å; F144-L147 PolarHBondContact O-N 3.18Å; F144-L148 HydrophobicContact CD1-CD1 3.7Å; F144-L148 HydrophobicContact CD1-CG 4.19Å; F144-L148 HydrophobicContact CE1-CD1 3.56Å; F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.47Å; F144-L148 WeakPolarHBondContact O-CG 3.28Å; F144-L148 PolarHBondContact O-N 3.36Å
145A87.7Confident76.9Confident57 Ų57101.6 Ų101.647%0.47158%0.58SS.*Hα-helixtrans-63.2-40.4175.100000112.3A141 L142 L148 S149A141-A145 WeakPolarHBondContact O-CB 3.43Å; A141-A145 PolarHBondContact O-N 3.27Å; L142-A145 PolarHBondContact O-N 2.88Å; A145-L148 PolarHBondContact O-N 3.17Å; A145-S149 PolarHBondContact O-N 2.81Å
146L88.2Confident76.7Confident111 Ų111107.4 Ų107.458%0.58159%0.592SS**Hα-helixtrans-62.7-44.1174-124.9106.2000111.1L142 S143 L148 S149 Q150L142-L146 WeakPolarHBondContact O-CB 3.21Å; L142-L146 PolarHBondContact O-N 2.93Å; S143-L146 PolarHBondContact O-N 2.98Å; L146-L148 PolarHBondContact O-N 2.88Å; L146-S149 PolarHBondContact O-N 2.05Å; L146-S149 PolarHBondContact O-OG 2.79Å; L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.31Å
147L86.8Confident75.8Confident105 Ų105110 Ų11055%0.5561%0.605SS.*Hα-helixtrans-62.6-43.2178.2-151.785.4000111.5S143 F144 S149 Q150 M151S143-L147 WeakPolarHBondContact O-CB 3.35Å; S143-L147 PolarHBondContact O-N 3Å; F144-L147 PolarHBondContact O-N 3.18Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3Å; L147-Q150 PolarHBondContact O-N 2.86Å; L147-M151 HydrophobicContact CD2-CE 4.19Å; L147-M151 HydrophobicContact CG-CE 4.45Å; L147-M151 PolarHBondContact O-N 3.11Å
148L83.9Confident74.8Confident87 Ų87114 Ų11446%0.45562%0.621SS.*Hα-helixtrans-63.5-39.2175.5-73.3175.3000112F144 A145 L146 Q150 M151 V152F144-L148 HydrophobicContact CD1-CD1 3.7Å; F144-L148 HydrophobicContact CD1-CG 4.19Å; F144-L148 HydrophobicContact CE1-CD1 3.56Å; F144-L148 HydrophobicContact CE1-CD2 4.42Å; F144-L148 HydrophobicContact CE1-CG 4.05Å; F144-L148 HydrophobicContact CZ-CD1 4.47Å; F144-L148 WeakPolarHBondContact O-CG 3.28Å; F144-L148 PolarHBondContact O-N 3.36Å; A145-L148 PolarHBondContact O-N 3.17Å; L146-L148 PolarHBondContact O-N 2.88Å; L148-Q150 PolarHBondContact O-N 3.29Å; L148-M151 PolarHBondContact O-N 2.83Å; L148-V152 PolarHBondContact O-N 3.47Å
149S82.2Confident73.4Confident73 Ų73117.3 Ų117.351%0.5163%0.634SS.*Hα-helixtrans-63.8-26.4177.875.40000113.4A145 L146 L147A145-S149 PolarHBondContact O-N 2.81Å; L146-S149 PolarHBondContact O-N 2.05Å; L146-S149 PolarHBondContact O-OG 2.79Å; L147-S149 VanDerWaalsContact C-N 3.34Å; L147-S149 PolarHBondContact O-N 3Å
150Q80.1Confident72.1Confident160 Ų160121.5 Ų121.575%0.74867%0.665SS**Hα-helixtrans-79.6-20.6175.2-59.5-91.1-39.900112.2L146 L147 L148L146-Q150 VanDerWaalsContact O-CG 3.3Å; L146-Q150 WeakPolarHBondContact O-CG 3.33Å; L146-Q150 PolarHBondContact O-N 3.31Å; L147-Q150 PolarHBondContact O-N 2.86Å; L148-Q150 PolarHBondContact O-N 3.29Å
151M70.8Confident71.7Confident136 Ų136121.9 Ų121.967%0.6767%0.669SS**Hα-helixtrans-90-10.1178.1-66.4-172.8-178.700113.4L147 L148 P153L147-M151 HydrophobicContact CD2-CE 4.19Å; L147-M151 HydrophobicContact CG-CE 4.45Å; L147-M151 PolarHBondContact O-N 3.11Å; L148-M151 PolarHBondContact O-N 2.83Å; M151-P153 WeakPolarHBondContact O-CD 3.49Å
152V71.4Confident71.1Confident98 Ų98125.2 Ų125.259%0.59468%0.678SS**SBendtrans-84.4107.2174.2-178.80000108.2L148L148-V152 PolarHBondContact O-N 3.47Å
153P65.3Low70.2Confident99 Ų99125.8 Ų125.864%0.64368%0.683SS**  trans-61.6144.6173.826.8-33.2000109.1M151 L155M151-P153 WeakPolarHBondContact O-CD 3.49Å; P153-L155 PolarHBondContact O-N 2.87Å; P153-L155 VanDerWaalsContact O-N 3.1Å
154P61.5Low69.2Low100 Ų100129.2 Ų129.265%0.64970%0.695SS**  trans-60.3122178.726.4-33.4000108.6R156P154-R156 HydrophobicContact CB-CG 4.28Å; P154-R156 PolarHBondContact O-N 2.99Å
155L57.9Low68Low176 Ų176129.4 Ų129.492%0.92170%0.704SS**  trans-61.682.1164.6-91.6133.4000108P153P153-L155 PolarHBondContact O-N 2.87Å; P153-L155 VanDerWaalsContact O-N 3.1Å
156R57.3Low66.7Low214 Ų214134.3 Ų134.381%0.80872%0.72SS**  trans-93.6109.5170-80.8-177.8177.4-132.31108.2P154P154-R156 HydrophobicContact CB-CG 4.28Å; P154-R156 PolarHBondContact O-N 2.99Å
157C48Very low65.2Low106 Ų106135.9 Ų135.972%0.71673%0.73SS**  trans73.3104.9149-53.90000118.3
158L50.9Low63.5Low169 Ų169138.3 Ų138.389%0.88574%0.743SS**  -122.185129.7-14979.8000107.5
159Q46.1Very low61.8Low182 Ų182142.6 Ų142.685%0.8577%0.767SS**  trans-99.998.3161.6-110.5176.1-71.600106
160T50.4Low60Low198 Ų198148.9 Ų148.9100%1.21579%0.791SS**  trans-160.50153.244.70000107.4

Retrieved 160 of 160 residues in 125.2 ms (Link to these results)