A0A5K4FB82_SCHMA Loading...

Peptidase S1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FB82, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 75 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M57.6Low68.5Low162 Ų16292.6 Ų92.680%0.79853%0.526SS*.  01290-99.3167.2-17800107.4Q15 L58M1-Q15 HydrophobicContact CE-CB 4.15Å; M1-Q15 HydrophobicContact SD-CB 3.87Å; M1-L58 HydrophobicContact SD-CD2 4.39Å
2E64.6Low70Confident181 Ų18188.9 Ų88.985%0.84650%0.503SS*.  trans-87.5147.4168.2-72.8-175.9145.200109.4K4E2-K4 PolarHBondContact O-N 3.12Å
3C69.2Low71.1Confident30 Ų3083.4 Ų83.420%0.20347%0.473CS..  trans-61.8125.2172.2-56.10000108.8H5 T7 C13C3-H5 VanDerWaalsContact C-N 3.25Å; C3-H5 PolarHBondContact O-N 3.28Å; C3-T7 HydrophobicContact CB-CG2 4.14Å; C3-C13 WeakPolarHBondContact CA-SG 3.45Å; C3-C13 HydrophobicContact CB-CB 4.04Å; C3-C13 WeakPolarHBondContact CB-SG 3.46Å; C3-C13 WeakPolarHBondContact SG-CB 3.39Å; C3-C13 CovalentContact SG-SG 2.01Å; C3-C13 PolarHBondContact SG-SG 2.79Å
4K65.7Low71.9Confident122 Ų12281.6 Ų81.653%0.5346%0.464SS..SBendtrans-72.2-19.2-176.5-81.7-177.9169.1178.70113E2 L51 D56 L58E2-K4 PolarHBondContact O-N 3.12Å; K4-L51 HydrophobicContact CB-CD1 3.84Å; K4-D56 HydrophobicContact CD-CB 4.31Å; K4-D56 IonicContact NZ-OD1 2.69Å; K4-D56 PolarHBondContact NZ-OD1 2.85Å; K4-D56 IonicContact NZ-OD2 2.78Å; K4-D56 PolarHBondContact NZ-OD2 2.9Å; K4-L58 HydrophobicContact CB-CD1 3.87Å; K4-L58 HydrophobicContact CD-CD1 4.28Å; K4-L58 HydrophobicContact CG-CD1 3.87Å
5H66Low72.3Confident47 Ų4782.8 Ų82.822%0.21847%0.465CS..SBendtrans-101.1152.4173.880.783.4000111.9C3 T7 V49 E60C3-H5 VanDerWaalsContact C-N 3.25Å; C3-H5 PolarHBondContact O-N 3.28Å; H5-T7 WeakPolarHBondContact CE1-CG2 3.4Å; H5-T7 VanDerWaalsContact ND1-CG2 3.31Å; H5-T7 WeakPolarHBondContact ND1-CG2 3.21Å; H5-T7 WeakPolarHBondContact O-CG2 3.39Å; H5-T7 PolarHBondContact O-N 3.12Å; H5-T7 VanDerWaalsContact O-N 3.15Å; H5-V49 VanDerWaalsContact NE2-CG2 3.34Å; H5-V49 WeakPolarHBondContact NE2-CG2 3.46Å; H5-E60 VanDerWaalsContact CD2-CD 3.41Å; H5-E60 IonicContact CD2-OE1 2.91Å; H5-E60 PolarHBondContact CD2-OE1 2.89Å; H5-E60 IonicContact CD2-OE2 3.75Å; H5-E60 IonicContact CE1-OE1 3.66Å; H5-E60 IonicContact CE1-OE2 3.19Å; H5-E60 PolarHBondContact CE1-OE2 3.32Å; H5-E60 IonicContact CG-OE1 3.69Å; H5-E60 IonicContact NE2-OE1 2.99Å; H5-E60 PolarHBondContact NE2-OE1 2.01Å; H5-E60 IonicContact NE2-OE2 2.89Å; H5-E60 PolarHBondContact NE2-OE2 2.99Å
6S65.4Low72.6Confident128 Ų12878.8 Ų78.890%0.89545%0.445SS*.  trans-61.4119.1172.1-170.40000108.4
7T64.3Low72.8Confident33 Ų3377.4 Ų77.420%0.20245%0.445CS..  trans-121.3137.4-176.746.70000109.2C3 H5 P11 E60C3-T7 HydrophobicContact CB-CG2 4.14Å; H5-T7 WeakPolarHBondContact CE1-CG2 3.4Å; H5-T7 VanDerWaalsContact ND1-CG2 3.31Å; H5-T7 WeakPolarHBondContact ND1-CG2 3.21Å; H5-T7 WeakPolarHBondContact O-CG2 3.39Å; H5-T7 PolarHBondContact O-N 3.12Å; H5-T7 VanDerWaalsContact O-N 3.15Å; T7-P11 HydrophobicContact CG2-CG 3.46Å; T7-P11 VanDerWaalsContact CG2-CG 3.46Å; T7-P11 WeakPolarHBondContact OG1-CD 3.45Å; T7-E60 WeakPolarHBondContact CG2-OE2 3.32Å
8T65.7Low73Confident149 Ų14977.8 Ų77.891%0.91444%0.439SS*.SBendtrans-82.8132.4166.632.80000109
9G71.2Confident73.2Confident52 Ų5277.3 Ų77.354%0.53644%0.438SS..SBendtrans886.217300000116.8R66G9-R66 WeakPolarHBondContact O-CD 3.31Å
10N78.7Confident73.4Confident88 Ų8883.7 Ų83.747%0.47146%0.461SS..  trans52.171.1176.4-68.9-44.9000113.8R66N10-R66 VanDerWaalsContact CB-NE 3.28Å; N10-R66 VanDerWaalsContact CB-NH1 3.29Å; N10-R66 PolarHBondContact ND2-NH1 3.28Å; N10-R66 WeakPolarHBondContact O-CD 3.25Å; N10-R66 PolarHBondContact O-NE 3.03Å
11P85.3Confident73.4Confident27 Ų2781.8 Ų81.818%0.17546%0.461CS..  trans-66.6170.9-179.627.2-27.9000112.2T7 E60 Y61T7-P11 HydrophobicContact CG2-CG 3.46Å; T7-P11 VanDerWaalsContact CG2-CG 3.46Å; T7-P11 WeakPolarHBondContact OG1-CD 3.45Å; P11-E60 HydrophobicContact CB-CB 4.41Å; P11-Y61 CarbonylContact C-O 3.55Å; P11-Y61 WeakPolarHBondContact CA-O 3.11Å; P11-Y61 WeakPolarHBondContact CB-O 3.19Å
12I86.9Confident74.1Confident48 Ų4881 Ų8125%0.24646%0.456CS..EExtended strand (participates in β ladder)trans-88.5122168.9-60.9168.1000107V14 L33 L42 E60 Y61I12-V14 HydrophobicContact CG2-CG2 4.17Å; I12-L33 HydrophobicContact CG2-CD2 4.15Å; I12-L42 HydrophobicContact CD1-CB 4.31Å; I12-L42 WeakPolarHBondContact CD1-O 3.06Å; I12-E60 WeakPolarHBondContact O-CA 3.49Å; I12-Y61 PolarHBondContact N-O 3.19Å; I12-Y61 PolarHBondContact O-N 2.91Å
13C83.6Confident74.5Confident17 Ų1774.6 Ų74.612%0.11543%0.426CS..EExtended strand (participates in β ladder)trans-108.8124.5178.1-72.30000111.1C3 L58 V59 E60C3-C13 WeakPolarHBondContact CA-SG 3.45Å; C3-C13 HydrophobicContact CB-CB 4.04Å; C3-C13 WeakPolarHBondContact CB-SG 3.46Å; C3-C13 WeakPolarHBondContact SG-CB 3.39Å; C3-C13 CovalentContact SG-SG 2.01Å; C3-C13 PolarHBondContact SG-SG 2.79Å; C13-L58 HydrophobicContact CB-CD2 4.49Å; C13-V59 WeakPolarHBondContact CA-O 3.34Å; C13-E60 VanDerWaalsContact SG-CG 3.59Å; C13-E60 PolarHBondContact SG-OE1 2.96Å; C13-E60 VanDerWaalsContact SG-OE1 3.32Å
14V81.9Confident74.6Confident58 Ų5876.6 Ų76.635%0.35244%0.438SS..EExtended strand (participates in β ladder)trans-118.8129.7-179.1-175.40000108.3I12 A16 L58 V59 Y61I12-V14 HydrophobicContact CG2-CG2 4.17Å; V14-A16 PolarHBondContact O-N 2.87Å; V14-L58 WeakPolarHBondContact O-CA 3.09Å; V14-V59 PolarHBondContact N-O 3.19Å; V14-V59 PolarHBondContact O-N 3.01Å; V14-Y61 HydrophobicContact CB-CE2 4Å; V14-Y61 HydrophobicContact CG2-CD2 4.05Å; V14-Y61 HydrophobicContact CG2-CE2 3.68Å
15Q78.5Confident74.8Confident100 Ų10075.1 Ų75.147%0.46745%0.448SS..EExtended strand (participates in β ladder)trans-68.9121.4172.5-171165.930.900109.3M1 L58M1-Q15 HydrophobicContact CE-CB 4.15Å; M1-Q15 HydrophobicContact SD-CB 3.87Å; Q15-L58 HydrophobicContact CB-CD2 4.31Å
16A77.4Confident75.2Confident19 Ų1975.3 Ų75.316%0.15745%0.454CS..PPolyproline II helixtrans-94147.4177.400000110.8V14 I23 V57 V59V14-A16 PolarHBondContact O-N 2.87Å; A16-I23 HydrophobicContact CB-CG2 3.46Å; A16-I23 VanDerWaalsContact CB-CG2 3.46Å; A16-V57 HydrophobicContact CB-CG1 4.34Å; A16-V57 PolarHBondContact N-O 2.98Å; A16-V59 HydrophobicContact CB-CG2 3.69Å
17A76.7Confident76.1Confident54 Ų5471.3 Ų71.345%0.44643%0.433SS..PPolyproline II helixtrans-76.2134169.400000109.3V19 T24A17-V19 HydrophobicContact CB-CG2 4.05Å; A17-T24 HydrophobicContact CB-CG2 4.27Å; A17-T24 PolarHBondContact N-OG1 2.78Å; A17-T24 VanDerWaalsContact N-OG1 3.12Å; A17-T24 PolarHBondContact O-N 2.91Å; A17-T24 PolarHBondContact O-OG1 2.69Å
18Y75.5Confident77.2Confident85 Ų8576.4 Ų76.433%0.33346%0.459SS..EExtended strand (participates in β ladder)trans-98.1111.1170.7-169.4-105.1000109G21 Q22 I23 R54Y18-G21 VanDerWaalsContact CE2-C 3.44Å; Y18-G21 VanDerWaalsContact CE2-O 3.25Å; Y18-G21 WeakPolarHBondContact CE2-O 3.37Å; Y18-G21 WeakPolarHBondContact OH-CA 3.44Å; Y18-G21 PolarHBondContact OH-O 3.38Å; Y18-Q22 WeakPolarHBondContact CA-O 3.39Å; Y18-I23 HydrophobicContact CD2-CG1 4.15Å; Y18-I23 HydrophobicContact CE2-CG1 4.48Å; Y18-R54 HydrophobicContact CE1-CB 4.45Å; Y18-R54 HydrophobicContact CE1-CG 4.15Å; Y18-R54 PolarHBondContact OH-NE 3.17Å
19V76.8Confident78.3Confident69 Ų6973.5 Ų73.542%0.41845%0.445SS..EExtended strand (participates in β ladder)trans-129.3125.5-174.5-167.30000108.6A17 G21 Q22 T24A17-V19 HydrophobicContact CB-CG2 4.05Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 3.3Å; V19-G21 VanDerWaalsContact O-N 3.17Å; V19-Q22 PolarHBondContact N-O 2.99Å; V19-Q22 PolarHBondContact O-N 3.03Å; V19-Q22 VanDerWaalsContact O-O 3.11Å; V19-T24 HydrophobicContact CG2-CG2 4.46Å
20F78.3Confident79.3Confident204 Ų20473.5 Ų73.590%0.89545%0.445SS*.THydrogen-bonded Turntrans49.440.3179.8-60.5-64.6000115.3Q22F20-Q22 PolarHBondContact O-N 3.02Å
21G72.7Confident79.9Confident45 Ų4570.1 Ų70.146%0.46443%0.43SS..THydrogen-bonded Turntrans86.7-8.6177.700000114.4Y18 V19Y18-G21 VanDerWaalsContact CE2-C 3.44Å; Y18-G21 VanDerWaalsContact CE2-O 3.25Å; Y18-G21 WeakPolarHBondContact CE2-O 3.37Å; Y18-G21 WeakPolarHBondContact OH-CA 3.44Å; Y18-G21 PolarHBondContact OH-O 3.38Å; V19-G21 VanDerWaalsContact C-N 3.27Å; V19-G21 PolarHBondContact O-N 3.3Å; V19-G21 VanDerWaalsContact O-N 3.17Å
22Q71.4Confident80.3Confident146 Ų14672.8 Ų72.868%0.68245%0.448SS*.EExtended strand (participates in β ladder)trans-110.7146.6-178.9-67.7-173.8-52.200111.4Y18 V19 F20Y18-Q22 WeakPolarHBondContact CA-O 3.39Å; V19-Q22 PolarHBondContact N-O 2.99Å; V19-Q22 PolarHBondContact O-N 3.03Å; V19-Q22 VanDerWaalsContact O-O 3.11Å; F20-Q22 PolarHBondContact O-N 3.02Å
23I73.6Confident80.5Confident46 Ų4672.2 Ų72.224%0.23645%0.445CS..EExtended strand (participates in β ladder)trans-79129.8167-55169.4000105.4A16 Y18 A25 T50 V57 V59A16-I23 HydrophobicContact CB-CG2 3.46Å; A16-I23 VanDerWaalsContact CB-CG2 3.46Å; Y18-I23 HydrophobicContact CD2-CG1 4.15Å; Y18-I23 HydrophobicContact CE2-CG1 4.48Å; I23-A25 PolarHBondContact O-N 3.08Å; I23-T50 HydrophobicContact CD1-CG2 3.29Å; I23-V57 HydrophobicContact CB-CG1 4.43Å; I23-V57 HydrophobicContact CD1-CG1 3.43Å; I23-V57 VanDerWaalsContact CD1-CG1 3.43Å; I23-V57 HydrophobicContact CD1-CG2 4.48Å; I23-V57 HydrophobicContact CG1-CG1 3.74Å; I23-V57 HydrophobicContact CG1-CG2 4.47Å; I23-V57 HydrophobicContact CG2-CG1 3.83Å; I23-V59 HydrophobicContact CG2-CG2 4.12Å
24T71.7Confident80.9Confident72 Ų7274.6 Ų74.644%0.44246%0.456SS..  trans-50.2114.8172.622.70000108.2A17 V19 P26A17-T24 HydrophobicContact CB-CG2 4.27Å; A17-T24 PolarHBondContact N-OG1 2.78Å; A17-T24 VanDerWaalsContact N-OG1 3.12Å; A17-T24 PolarHBondContact O-N 2.91Å; A17-T24 PolarHBondContact O-OG1 2.69Å; V19-T24 HydrophobicContact CG2-CG2 4.46Å; T24-P26 WeakPolarHBondContact O-CD 3.4Å; T24-P26 VanDerWaalsContact O-N 3.11Å
25A68.9Low81.1Confident91 Ų9182.4 Ų82.475%0.75248%0.479SS*.  trans-54.6119.6-164.300000109.2I23 G27I23-A25 PolarHBondContact O-N 3.08Å; A25-G27 PolarHBondContact O-N 3.02Å
26P75.8Confident81.7Confident50 Ų5080.2 Ų80.233%0.32548%0.475SS..  trans-71.71.6-175.929-35000113.6T24 V45 V59T24-P26 WeakPolarHBondContact O-CD 3.4Å; T24-P26 VanDerWaalsContact O-N 3.11Å; P26-V45 WeakPolarHBondContact O-CG2 3.43Å; P26-V59 HydrophobicContact CB-CB 4.24Å; P26-V59 HydrophobicContact CB-CG1 3.37Å; P26-V59 HydrophobicContact CB-CG2 3.97Å; P26-V59 HydrophobicContact CG-CG1 3.95Å; P26-V59 HydrophobicContact CG-CG2 4.26Å
27G83.6Confident82.2Confident45 Ų4584.6 Ų84.646%0.46450%0.502SS..  trans104.4-171.9-169.200000111.5A25A25-G27 PolarHBondContact O-N 3.02Å
28D86.8Confident82.9Confident139 Ų13990.4 Ų90.474%0.74352%0.52SS*.SBendtrans-87.6146.9-179.9-59.4-47.1000111.2G30 G31 V45D28-G30 PolarHBondContact O-N 3.24Å; D28-G31 WeakPolarHBondContact O-CA 3.05Å; D28-G31 PolarHBondContact O-N 3.49Å; D28-V45 WeakPolarHBondContact O-CB 3.21Å; D28-V45 WeakPolarHBondContact O-CG1 3.49Å
29S89.3Confident83.7Confident88 Ų8887.3 Ų87.362%0.61551%0.514SS*.THydrogen-bonded Turntrans-54.8127.2176.5-173.10000111.3G31S29-G31 VanDerWaalsContact C-N 3.29Å
30G91.6Very high84.4Confident52 Ų5288.5 Ų88.554%0.53652%0.523SS..THydrogen-bonded Turntrans84.1-5.1-174.100000114.9D28 V45D28-G30 PolarHBondContact O-N 3.24Å; G30-V45 PolarHBondContact N-O 2.89Å
31G92.4Very high85.1Confident17 Ų1782 Ų8218%0.17550%0.5CS..  trans-71.216117700000113.5D28 S29 V44 V45D28-G31 WeakPolarHBondContact O-CA 3.05Å; D28-G31 PolarHBondContact O-N 3.49Å; S29-G31 VanDerWaalsContact C-N 3.29Å; G31-V44 CarbonylContact O-C 3.59Å; G31-V44 WeakPolarHBondContact O-CA 3.3Å; G31-V45 WeakPolarHBondContact O-CG2 3.15Å; G31-V45 PolarHBondContact O-N 2.94Å
32P93.2Very high86.1Confident83 Ų8383.2 Ų83.254%0.53950%0.495SS..EExtended strand (participates in β ladder)trans-83.4138.1-177.633-34.4000112.7L34 V41P32-L34 HydrophobicContact CB-CD2 3.93Å; P32-L34 HydrophobicContact CB-CG 4.07Å; P32-L34 HydrophobicContact CG-CD1 4.44Å; P32-L34 HydrophobicContact CG-CG 4.35Å; P32-V41 HydrophobicContact CB-CG1 3.96Å; P32-V41 HydrophobicContact CB-CG2 4.44Å
33L90.8Very high87.1Confident36 Ų3676.2 Ų76.219%0.18846%0.463CS..EExtended strand (participates in β ladder)trans-90.4113.5160.3177.365.8000109I12 L42 G43 Y61I12-L33 HydrophobicContact CG2-CD2 4.15Å; L33-L42 PolarHBondContact O-N 2.92Å; L33-G43 PolarHBondContact N-O 3.3Å; L33-G43 PolarHBondContact O-N 2.86Å; L33-Y61 HydrophobicContact CB-CD1 3.7Å; L33-Y61 HydrophobicContact CB-CE1 3.93Å; L33-Y61 HydrophobicContact CB-CG 4.31Å; L33-Y61 HydrophobicContact CD1-CD1 4.47Å; L33-Y61 HydrophobicContact CD1-CE1 3.98Å; L33-Y61 HydrophobicContact CD2-CD1 3.95Å; L33-Y61 HydrophobicContact CD2-CD2 3.86Å; L33-Y61 HydrophobicContact CD2-CE1 4.21Å; L33-Y61 HydrophobicContact CD2-CE2 4.16Å; L33-Y61 HydrophobicContact CD2-CG 3.76Å; L33-Y61 HydrophobicContact CG-CD1 4.24Å; L33-Y61 HydrophobicContact CG-CE1 4.25Å
34L91.4Very high87.9Confident67 Ų6776.5 Ų76.535%0.35147%0.467SS..EExtended strand (participates in β ladder)trans-115.3146.7-177.9-55.2179.2000111.1P32 S36 V41P32-L34 HydrophobicContact CB-CD2 3.93Å; P32-L34 HydrophobicContact CB-CG 4.07Å; P32-L34 HydrophobicContact CG-CD1 4.44Å; P32-L34 HydrophobicContact CG-CG 4.35Å; L34-S36 WeakPolarHBondContact CB-O 3.34Å; L34-V41 HydrophobicContact CD2-CB 4.3Å; L34-V41 HydrophobicContact CD2-CG2 3.93Å
35R87.2Confident88.8Confident222 Ų22273.6 Ų73.684%0.83845%0.449SS*.SBendtrans-77.4-29.4168.9-166.2177.3-179.3-165.6-0.2112.5L42R35-L42 HydrophobicContact CB-CD1 4.07Å
36S90.8Very high89.4Confident55 Ų5572.3 Ų72.339%0.38543%0.434SS..SBendtrans-154160.6179.359.60000109.1L34 Q38 G39L34-S36 WeakPolarHBondContact CB-O 3.34Å; S36-Q38 PolarHBondContact O-N 3.35Å; S36-Q38 VanDerWaalsContact O-N 3.12Å; S36-G39 PolarHBondContact O-N 3.06Å; S36-G39 WeakPolarHBondContact OG-CA 3.13Å; S36-G39 PolarHBondContact OG-N 2.88Å
37P89Confident89.2Confident111 Ų11177.9 Ų77.972%0.72146%0.455SS*.THydrogen-bonded Turntrans-56.3-31.9-174.5-28.136000115.2
38Q90.9Very high88.3Confident176 Ų17677.5 Ų77.582%0.82245%0.451SS*.THydrogen-bonded Turntrans-107.112.8175.2-55.486.5400113.2S36S36-Q38 PolarHBondContact O-N 3.35Å; S36-Q38 VanDerWaalsContact O-N 3.12Å
39G91Very high86.8Confident19 Ų1974.3 Ų74.320%0.19644%0.437CS..SBendtrans-77.9169.8-177.900000113.2S36S36-G39 PolarHBondContact O-N 3.06Å; S36-G39 WeakPolarHBondContact OG-CA 3.13Å; S36-G39 PolarHBondContact OG-N 2.88Å
40P91.9Very high85.2Confident95 Ų9574.5 Ų74.562%0.61744%0.435SS*.  trans-64.3148.9174.428.7-35000111.3L42P40-L42 HydrophobicContact CG-CD2 4.26Å; P40-L42 PolarHBondContact O-N 2.85Å
41V93.6Very high83.4Confident68 Ų6875.2 Ų75.241%0.41243%0.426SS..EExtended strand (participates in β ladder)trans-71.1112.4171.7-169.30000108.9P32 L34 G43 V64P32-V41 HydrophobicContact CB-CG1 3.96Å; P32-V41 HydrophobicContact CB-CG2 4.44Å; L34-V41 HydrophobicContact CD2-CB 4.3Å; L34-V41 HydrophobicContact CD2-CG2 3.93Å; V41-G43 WeakPolarHBondContact CG1-O 3.16Å; V41-V64 HydrophobicContact CB-CG2 4.43Å; V41-V64 HydrophobicContact CG1-CG2 3.86Å; V41-V64 WeakPolarHBondContact O-CB 3.44Å
42L92.8Very high81.7Confident69 Ų6980.7 Ų80.736%0.36146%0.461SS..EExtended strand (participates in β ladder)trans-85.3-41.6-179.1-59.5-176.1000111.3I12 L33 R35 P40 V64I12-L42 HydrophobicContact CD1-CB 4.31Å; I12-L42 WeakPolarHBondContact CD1-O 3.06Å; L33-L42 PolarHBondContact O-N 2.92Å; R35-L42 HydrophobicContact CB-CD1 4.07Å; P40-L42 HydrophobicContact CG-CD2 4.26Å; P40-L42 PolarHBondContact O-N 2.85Å; L42-V64 PolarHBondContact O-N 2.86Å
43G92Very high79.9Confident0 Ų081.8 Ų81.80%046%0.463CS..EExtended strand (participates in β ladder)trans-149171.1-178.300000112.2L33 V41 A62L33-G43 PolarHBondContact N-O 3.3Å; L33-G43 PolarHBondContact O-N 2.86Å; V41-G43 WeakPolarHBondContact CG1-O 3.16Å; G43-A62 CarbonylContact C-O 3.49Å; G43-A62 WeakPolarHBondContact CA-O 2.96Å
44V92.3Very high78.3Confident52 Ų5288.1 Ų88.132%0.31548%0.484SS..EExtended strand (participates in β ladder)trans-118.9129.1174.2-179.20000107.8G31 S46 Y61 A62 V64G31-V44 CarbonylContact O-C 3.59Å; G31-V44 WeakPolarHBondContact O-CA 3.3Å; V44-S46 PolarHBondContact O-N 2.81Å; V44-Y61 CarbonylContact O-C 3.47Å; V44-Y61 VanDerWaalsContact O-CA 3.3Å; V44-Y61 WeakPolarHBondContact O-CA 3.46Å; V44-A62 HydrophobicContact CB-CB 4.44Å; V44-A62 PolarHBondContact N-O 2.93Å; V44-A62 PolarHBondContact O-N 3.25Å; V44-V64 HydrophobicContact CG2-CG2 3.89Å
45V89.6Confident76.8Confident11 Ų1191.9 Ų91.97%0.06750%0.504CS..EExtended strand (participates in β ladder)trans-56.4125.5176.6179.30000108.3P26 D28 G30 G31 Y61P26-V45 WeakPolarHBondContact O-CG2 3.43Å; D28-V45 WeakPolarHBondContact O-CB 3.21Å; D28-V45 WeakPolarHBondContact O-CG1 3.49Å; G30-V45 PolarHBondContact N-O 2.89Å; G31-V45 WeakPolarHBondContact O-CG2 3.15Å; G31-V45 PolarHBondContact O-N 2.94Å; V45-Y61 HydrophobicContact CB-CD1 4.38Å; V45-Y61 HydrophobicContact CB-CE1 4.45Å; V45-Y61 HydrophobicContact CG2-CD1 3.97Å; V45-Y61 HydrophobicContact CG2-CE1 3.71Å
46S82.5Confident75.8Confident64 Ų6483.9 Ų83.945%0.44848%0.478SS..  trans-124.5172.6174.2-159.50000109.9V44 G48V44-S46 PolarHBondContact O-N 2.81Å; S46-G48 PolarHBondContact O-N 2.92Å
47H71.6Confident74.8Confident166 Ų16681.6 Ų81.677%0.76946%0.462SS*.  trans-64.7111.1171.1-78.8107.7000109
48G63.5Low74.2Confident37 Ų3777.1 Ų77.138%0.38143%0.431SS..  trans-76.8147.3172.100000111.5S46S46-G48 PolarHBondContact O-N 2.92Å
49V56.2Low73.7Confident72 Ų7269.2 Ų69.244%0.43640%0.395SS..  trans-83.5114.1168.1178.60000108.6H5 L51H5-V49 VanDerWaalsContact NE2-CG2 3.34Å; H5-V49 WeakPolarHBondContact NE2-CG2 3.46Å; V49-L51 HydrophobicContact CG1-CD2 4.38Å; V49-L51 PolarHBondContact O-N 3.04Å
50T55.4Low73.3Confident93 Ų9369.1 Ų69.157%0.57139%0.39SS*.  trans-76.8103.2169.8480000109.7I23I23-T50 HydrophobicContact CD1-CG2 3.29Å
51L54Low73.1Confident66 Ų6665.5 Ų65.535%0.34636%0.364SS..  trans-67.7134.8170.4-66.2171.5000109.3K4 V49 N53K4-L51 HydrophobicContact CB-CD1 3.84Å; V49-L51 HydrophobicContact CG1-CD2 4.38Å; V49-L51 PolarHBondContact O-N 3.04Å; L51-N53 PolarHBondContact O-N 3.35Å
52S55.7Low72.9Confident132 Ų13264.2 Ų64.292%0.92336%0.36SS*.SBendtrans-60.1-8.9-170.7-47.70000115.3
53N56.9Low72.8Confident107 Ų10761.5 Ų61.557%0.57235%0.347SS*.SBendtrans-96.5104.2176.9-154.1-2.5000110.3L51 L55 D56L51-N53 PolarHBondContact O-N 3.35Å; N53-L55 PolarHBondContact O-N 3.29Å; N53-D56 PolarHBondContact O-N 2.84Å; N53-D56 VanDerWaalsContact O-N 3.08Å
54R56.4Low72.8Confident168 Ų16863.1 Ų63.163%0.63436%0.357SS*.THydrogen-bonded Turntrans-53.5-18.4-169.8-76.6-177.7166.9131.41116.1Y18Y18-R54 HydrophobicContact CE1-CB 4.45Å; Y18-R54 HydrophobicContact CE1-CG 4.15Å; Y18-R54 PolarHBondContact OH-NE 3.17Å
55L59.6Low72.8Confident146 Ų14664.1 Ų64.176%0.76437%0.371SS*.THydrogen-bonded Turntrans-85.7-13.8-177.6-65.6173.1000113.8N53N53-L55 PolarHBondContact O-N 3.29Å
56D66.6Low72.7Confident54 Ų5470.7 Ų70.729%0.28939%0.394SS..  trans-121.335.1-173.1-79.1-44.9000112.5K4 N53 L58K4-D56 HydrophobicContact CD-CB 4.31Å; K4-D56 IonicContact NZ-OD1 2.69Å; K4-D56 PolarHBondContact NZ-OD1 2.85Å; K4-D56 IonicContact NZ-OD2 2.78Å; K4-D56 PolarHBondContact NZ-OD2 2.9Å; N53-D56 PolarHBondContact O-N 2.84Å; N53-D56 VanDerWaalsContact O-N 3.08Å; D56-L58 PolarHBondContact O-N 3.06Å
57V69.8Low73.1Confident8 Ų871.5 Ų71.55%0.04839%0.392CS..  trans-68.7111.8176.6-177.90000109.2A16 I23A16-V57 HydrophobicContact CB-CG1 4.34Å; A16-V57 PolarHBondContact N-O 2.98Å; I23-V57 HydrophobicContact CB-CG1 4.43Å; I23-V57 HydrophobicContact CD1-CG1 3.43Å; I23-V57 VanDerWaalsContact CD1-CG1 3.43Å; I23-V57 HydrophobicContact CD1-CG2 4.48Å; I23-V57 HydrophobicContact CG1-CG1 3.74Å; I23-V57 HydrophobicContact CG1-CG2 4.47Å; I23-V57 HydrophobicContact CG2-CG1 3.83Å
58L75.5Confident74Confident17 Ų1768.1 Ų68.19%0.08938%0.379CS..EExtended strand (participates in β ladder)trans-101.2133.7168.6-67168.5000108.4M1 K4 C13 V14 Q15 D56M1-L58 HydrophobicContact SD-CD2 4.39Å; K4-L58 HydrophobicContact CB-CD1 3.87Å; K4-L58 HydrophobicContact CD-CD1 4.28Å; K4-L58 HydrophobicContact CG-CD1 3.87Å; C13-L58 HydrophobicContact CB-CD2 4.49Å; V14-L58 WeakPolarHBondContact O-CA 3.09Å; Q15-L58 HydrophobicContact CB-CD2 4.31Å; D56-L58 PolarHBondContact O-N 3.06Å
59V79.9Confident75.4Confident10 Ų1068.7 Ų68.76%0.06139%0.385CS..EExtended strand (participates in β ladder)trans-95.3131.3164.91760000107.4C13 V14 A16 I23 P26 Y61C13-V59 WeakPolarHBondContact CA-O 3.34Å; V14-V59 PolarHBondContact N-O 3.19Å; V14-V59 PolarHBondContact O-N 3.01Å; A16-V59 HydrophobicContact CB-CG2 3.69Å; I23-V59 HydrophobicContact CG2-CG2 4.12Å; P26-V59 HydrophobicContact CB-CB 4.24Å; P26-V59 HydrophobicContact CB-CG1 3.37Å; P26-V59 HydrophobicContact CB-CG2 3.97Å; P26-V59 HydrophobicContact CG-CG1 3.95Å; P26-V59 HydrophobicContact CG-CG2 4.26Å; V59-Y61 HydrophobicContact CB-CE2 3.93Å; V59-Y61 HydrophobicContact CG1-CD2 4.07Å; V59-Y61 HydrophobicContact CG1-CE1 4.31Å; V59-Y61 HydrophobicContact CG1-CE2 3.38Å
60E83Confident77.2Confident17 Ų1771.7 Ų71.78%0.07939%0.393CS..EExtended strand (participates in β ladder)trans-105.4135.2179.3-49.8-152.9153.800111.2H5 T7 P11 I12 C13H5-E60 VanDerWaalsContact CD2-CD 3.41Å; H5-E60 IonicContact CD2-OE1 2.91Å; H5-E60 PolarHBondContact CD2-OE1 2.89Å; H5-E60 IonicContact CD2-OE2 3.75Å; H5-E60 IonicContact CE1-OE1 3.66Å; H5-E60 IonicContact CE1-OE2 3.19Å; H5-E60 PolarHBondContact CE1-OE2 3.32Å; H5-E60 IonicContact CG-OE1 3.69Å; H5-E60 IonicContact NE2-OE1 2.99Å; H5-E60 PolarHBondContact NE2-OE1 2.01Å; H5-E60 IonicContact NE2-OE2 2.89Å; H5-E60 PolarHBondContact NE2-OE2 2.99Å; T7-E60 WeakPolarHBondContact CG2-OE2 3.32Å; P11-E60 HydrophobicContact CB-CB 4.41Å; I12-E60 WeakPolarHBondContact O-CA 3.49Å; C13-E60 VanDerWaalsContact SG-CG 3.59Å; C13-E60 PolarHBondContact SG-OE1 2.96Å; C13-E60 VanDerWaalsContact SG-OE1 3.32Å
61Y87.9Confident78.9Confident18 Ų1870.7 Ų70.77%0.07139%0.386CS..EExtended strand (participates in β ladder)trans-121.7139.1176.6-55.4-103.7000108.9P11 I12 V14 L33 V44 V45 V59 S63P11-Y61 CarbonylContact C-O 3.55Å; P11-Y61 WeakPolarHBondContact CA-O 3.11Å; P11-Y61 WeakPolarHBondContact CB-O 3.19Å; I12-Y61 PolarHBondContact N-O 3.19Å; I12-Y61 PolarHBondContact O-N 2.91Å; V14-Y61 HydrophobicContact CB-CE2 4Å; V14-Y61 HydrophobicContact CG2-CD2 4.05Å; V14-Y61 HydrophobicContact CG2-CE2 3.68Å; L33-Y61 HydrophobicContact CB-CD1 3.7Å; L33-Y61 HydrophobicContact CB-CE1 3.93Å; L33-Y61 HydrophobicContact CB-CG 4.31Å; L33-Y61 HydrophobicContact CD1-CD1 4.47Å; L33-Y61 HydrophobicContact CD1-CE1 3.98Å; L33-Y61 HydrophobicContact CD2-CD1 3.95Å; L33-Y61 HydrophobicContact CD2-CD2 3.86Å; L33-Y61 HydrophobicContact CD2-CE1 4.21Å; L33-Y61 HydrophobicContact CD2-CE2 4.16Å; L33-Y61 HydrophobicContact CD2-CG 3.76Å; L33-Y61 HydrophobicContact CG-CD1 4.24Å; L33-Y61 HydrophobicContact CG-CE1 4.25Å; V44-Y61 CarbonylContact O-C 3.47Å; V44-Y61 VanDerWaalsContact O-CA 3.3Å; V44-Y61 WeakPolarHBondContact O-CA 3.46Å; V45-Y61 HydrophobicContact CB-CD1 4.38Å; V45-Y61 HydrophobicContact CB-CE1 4.45Å; V45-Y61 HydrophobicContact CG2-CD1 3.97Å; V45-Y61 HydrophobicContact CG2-CE1 3.71Å; V59-Y61 HydrophobicContact CB-CE2 3.93Å; V59-Y61 HydrophobicContact CG1-CD2 4.07Å; V59-Y61 HydrophobicContact CG1-CE1 4.31Å; V59-Y61 HydrophobicContact CG1-CE2 3.38Å; Y61-S63 PolarHBondContact O-N 3.15Å
62A89.4Confident80.8Confident41 Ų4170.7 Ų70.734%0.33939%0.392SS..EExtended strand (participates in β ladder)trans-64.2126.5170.300000108.9G43 V44 V64G43-A62 CarbonylContact C-O 3.49Å; G43-A62 WeakPolarHBondContact CA-O 2.96Å; V44-A62 HydrophobicContact CB-CB 4.44Å; V44-A62 PolarHBondContact N-O 2.93Å; V44-A62 PolarHBondContact O-N 3.25Å; A62-V64 PolarHBondContact O-N 3.4Å
63S91Very high82.8Confident12 Ų1269 Ų698%0.08438%0.38CS..EExtended strand (participates in β ladder)trans-76.2116.7-177.7-177.50000111.3Y61 A65 R66 M67Y61-S63 PolarHBondContact O-N 3.15Å; S63-A65 VanDerWaalsContact C-N 3.34Å; S63-R66 PolarHBondContact O-N 2.94Å; S63-M67 PolarHBondContact O-N 3.2Å
64V92.3Very high84.6Confident35 Ų3569.2 Ų69.221%0.21238%0.381CS..Hα-helixtrans-65.2-40.7176.51720000110.8V41 L42 V44 A62 R66 M67 L68V41-V64 HydrophobicContact CB-CG2 4.43Å; V41-V64 HydrophobicContact CG1-CG2 3.86Å; V41-V64 WeakPolarHBondContact O-CB 3.44Å; L42-V64 PolarHBondContact O-N 2.86Å; V44-V64 HydrophobicContact CG2-CG2 3.89Å; A62-V64 PolarHBondContact O-N 3.4Å; V64-R66 PolarHBondContact O-N 2.93Å; V64-M67 CarbonylContact O-C 3.57Å; V64-M67 PolarHBondContact O-N 3.33Å; V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 PolarHBondContact O-N 3Å
65A91.4Very high86.1Confident73 Ų7370.2 Ų70.260%0.60340%0.397SS*.Hα-helixtrans-57.5-34.7178.500000112.9S63S63-A65 VanDerWaalsContact C-N 3.34Å
66R89.2Confident87.4Confident149 Ų14966.4 Ų66.456%0.56238%0.378SS*.Hα-helixtrans-79.2-26177.8-65.1-176.4-176.6-103.68.2113.3G9 N10 S63 V64G9-R66 WeakPolarHBondContact O-CD 3.31Å; N10-R66 VanDerWaalsContact CB-NE 3.28Å; N10-R66 VanDerWaalsContact CB-NH1 3.29Å; N10-R66 PolarHBondContact ND2-NH1 3.28Å; N10-R66 WeakPolarHBondContact O-CD 3.25Å; N10-R66 PolarHBondContact O-NE 3.03Å; S63-R66 PolarHBondContact O-N 2.94Å; V64-R66 PolarHBondContact O-N 2.93Å
67M90.7Very high88.5Confident81 Ų8167.1 Ų67.140%0.39938%0.383SS..Hα-helixtrans-91.9-1.9176.8-116.660.180.300113.5S63 V64 G69 F70 V71S63-M67 PolarHBondContact O-N 3.2Å; V64-M67 CarbonylContact O-C 3.57Å; V64-M67 PolarHBondContact O-N 3.33Å; M67-G69 VanDerWaalsContact C-N 3.29Å; M67-G69 PolarHBondContact O-N 2.87Å; M67-F70 HydrophobicContact CG-CB 4.43Å; M67-F70 HydrophobicContact CG-CD1 4.38Å; M67-F70 WeakPolarHBondContact O-CB 3.5Å; M67-F70 PolarHBondContact O-N 3.05Å; M67-V71 HydrophobicContact CB-CG2 4.43Å; M67-V71 WeakPolarHBondContact O-CG2 3.29Å; M67-V71 PolarHBondContact O-N 3.5Å
68L90.5Very high89.6Confident94 Ų9470.3 Ų70.349%0.49240%0.402SS..Hα-helixtrans-58.5-39.1-170.3-137.9120.5000112.9V64 V71 S72V64-L68 HydrophobicContact CG1-CD1 4.25Å; V64-L68 PolarHBondContact O-N 3Å; L68-V71 PolarHBondContact O-N 2.7Å; L68-S72 VanDerWaalsContact O-CB 3.29Å; L68-S72 WeakPolarHBondContact O-CB 3.43Å; L68-S72 PolarHBondContact O-N 2.76Å; L68-S72 PolarHBondContact O-OG 3.41Å
69G93.1Very high90.4Very high50 Ų5073.5 Ų73.552%0.51542%0.42SS..Hα-helixtrans-67.6-39.5176.200000113.1M67 S73M67-G69 VanDerWaalsContact C-N 3.29Å; M67-G69 PolarHBondContact O-N 2.87Å; G69-S73 WeakPolarHBondContact O-CB 3.44Å; G69-S73 PolarHBondContact O-N 3.39Å; G69-S73 VanDerWaalsContact O-N 3.17Å; G69-S73 PolarHBondContact O-OG 3.47Å
70F92.3Very high91.1Very high135 Ų13577.4 Ų77.459%0.59244%0.443SS*.Hα-helixtrans-64.5-48.6173.9170.4-97000110.6M67 S72 S73 N74M67-F70 HydrophobicContact CG-CB 4.43Å; M67-F70 HydrophobicContact CG-CD1 4.38Å; M67-F70 WeakPolarHBondContact O-CB 3.5Å; M67-F70 PolarHBondContact O-N 3.05Å; F70-S72 PolarHBondContact O-N 3.21Å; F70-S73 PolarHBondContact O-N 3.21Å; F70-N74 WeakPolarHBondContact CE2-ND2 3.45Å; F70-N74 PolarHBondContact O-N 3.17Å; F70-N74 PolarHBondContact O-ND2 3.18Å
71V92.3Very high91.6Very high71 Ų7181.5 Ų81.543%0.4347%0.467SS..Hα-helixtrans-59.1-48.9178.5174.10000110.5M67 L68 S73 N74 I75M67-V71 HydrophobicContact CB-CG2 4.43Å; M67-V71 WeakPolarHBondContact O-CG2 3.29Å; M67-V71 PolarHBondContact O-N 3.5Å; L68-V71 PolarHBondContact O-N 2.7Å; V71-S73 PolarHBondContact O-N 2.87Å; V71-N74 PolarHBondContact O-N 3.01Å; V71-I75 HydrophobicContact CG1-CG2 4.49Å; V71-I75 PolarHBondContact O-N 2.81Å
72S94.3Very high91.9Very high66 Ų6686 Ų8646%0.46250%0.495SS..Hα-helixtrans-63.4-24.6-178.7-54.70000113.4L68 F70 I75L68-S72 VanDerWaalsContact O-CB 3.29Å; L68-S72 WeakPolarHBondContact O-CB 3.43Å; L68-S72 PolarHBondContact O-N 2.76Å; L68-S72 PolarHBondContact O-OG 3.41Å; F70-S72 PolarHBondContact O-N 3.21Å; S72-I75 WeakPolarHBondContact O-CG1 3.48Å
73S96.5Very high92.1Very high97 Ų9789.5 Ų89.568%0.67851%0.507SS*.THydrogen-bonded Turntrans-86.3-6.5178.1-54.70000113.8G69 F70 V71G69-S73 WeakPolarHBondContact O-CB 3.44Å; G69-S73 PolarHBondContact O-N 3.39Å; G69-S73 VanDerWaalsContact O-N 3.17Å; G69-S73 PolarHBondContact O-OG 3.47Å; F70-S73 PolarHBondContact O-N 3.21Å; V71-S73 PolarHBondContact O-N 2.87Å
74N94.9Very high92.2Very high111 Ų11195.9 Ų95.959%0.59454%0.542SS*.  trans-124.617-175.5-71.3-89.2000112.8F70 V71F70-N74 WeakPolarHBondContact CE2-ND2 3.45Å; F70-N74 PolarHBondContact O-N 3.17Å; F70-N74 PolarHBondContact O-ND2 3.18Å; V71-N74 PolarHBondContact O-N 3.01Å
75I88.6Confident92.1Very high189 Ų189101.5 Ų101.597%0.96957%0.572SS**  trans-106.70168.958.1169.2000109.7V71 S72V71-I75 HydrophobicContact CG1-CG2 4.49Å; V71-I75 PolarHBondContact O-N 2.81Å; S72-I75 WeakPolarHBondContact O-CG1 3.48Å

Retrieved 75 of 75 residues in 155.5 ms (Link to these results)