A0A077Z4A0_TRITR Loading...

E1 DerP2 DerF2 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 146 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
1M26.5Very low29Very low239 Ų239161.4 Ų161.4100%1.17783%0.828SS**  097.50-163.2163.7158.500108.1
2K24.2Very low29.6Very low210 Ų210162.6 Ų162.691%0.91382%0.817SS**PPolyproline II helixtrans-95.7119.2-178.9-84.7-177.2177.9177.90109.7
3V25.8Very low29.6Very low128 Ų128158 Ų15878%0.77681%0.805SS**PPolyproline II helixtrans-81129.5179.81760000109.2
4W26.8Very low29.6Very low158 Ų158152.4 Ų152.460%0.59880%0.795SS**PPolyproline II helixtrans-84.2116.4173.6-90.3101.1000110.7R23W4-R23 HydrophobicContact CZ2-CG 4.43Å
5Q24.8Very low29.7Very low166 Ų166146.9 Ų146.978%0.77679%0.79SS**PPolyproline II helixtrans-89.5138.3166.7-74.9173.3-23.500110.2
6P31.7Very low29.5Very low123 Ų123141.9 Ų141.980%0.79977%0.767SS**PPolyproline II helixtrans-80125.4170.328.1-24.2000110.2R8P6-R8 PolarHBondContact O-N 2.77Å
7H34.5Very low29.6Very low185 Ų185138 Ų13886%0.85675%0.749SS**PPolyproline II helixtrans-62.6118.9167.7-104.4-84.2000109.6
8R28.1Very low29.6Very low248 Ų248134.4 Ų134.494%0.93673%0.726SS**PPolyproline II helixtrans-72.6124.3162.7-80.3-175.5-79-159.3-4108.4P6P6-R8 PolarHBondContact O-N 2.77Å
9G30.8Very low29.8Very low77 Ų77136.9 Ų136.979%0.79473%0.725SS**  trans149.478.6170.700000113.2
10A35Very low30.2Very low68 Ų68137.6 Ų137.656%0.56273%0.729SS**  trans168.5116141.700000108.7Y12A10-Y12 HydrophobicContact CB-CD2 3.79Å; A10-Y12 HydrophobicContact CB-CE2 3.33Å; A10-Y12 PolarHBondContact O-N 3.36Å
11N30.6Very low30.7Very low173 Ų173141.6 Ų141.693%0.92573%0.734SS**  trans-56.5116.6165.6-83.4-25.9000108.8
12Y37.1Very low31.6Very low176 Ų176134.5 Ų134.569%0.6970%0.696SS**  trans-126.6130.1164.6-74.6-75.6000109.2A10A10-Y12 HydrophobicContact CB-CD2 3.79Å; A10-Y12 HydrophobicContact CB-CE2 3.33Å; A10-Y12 PolarHBondContact O-N 3.36Å
13P29.3Very low32.8Very low103 Ų103131.7 Ų131.767%0.66968%0.68SS**  trans-64.3146.6-178.826-32.1000111.3G15 T16P13-G15 PolarHBondContact O-N 3.37Å; P13-T16 PolarHBondContact O-OG1 2.83Å
14A29.7Very low34.2Very low79 Ų79129.1 Ų129.165%0.65366%0.661SS**THydrogen-bonded Turntrans-55106178.100000110.2
15G30.4Very low35.3Very low71 Ų71127.2 Ų127.273%0.73267%0.672SS**THydrogen-bonded Turntrans154.5-18-177.100000114.8P13P13-G15 PolarHBondContact O-N 3.37Å
16T27Very low36.8Very low67 Ų67121.2 Ų121.241%0.41166%0.655SS.*  trans-84.3122.1-178.932.30000113.8P13 R75P13-T16 PolarHBondContact O-OG1 2.83Å; T16-R75 PolarHBondContact O-NH2 2.87Å; T16-R75 VanDerWaalsContact O-NH2 3.11Å
17T30.4Very low37.7Very low75 Ų75117.5 Ų117.546%0.4664%0.639SS.*  trans-51.4131.1176.1-28.70000111.7Y19 P43T17-Y19 PolarHBondContact O-N 2.81Å; T17-P43 HydrophobicContact CG2-CB 3.76Å; T17-P43 HydrophobicContact CG2-CG 4.19Å
18E30.4Very low38.7Very low74 Ų74114.8 Ų114.835%0.34664%0.638SS.*  trans-78.6105.5-179.2-154.4148.5-124.700109.4L20 R75 W81E18-L20 PolarHBondContact O-N 2.93Å; E18-R75 VanDerWaalsContact OE1-CD 3.3Å; E18-R75 WeakPolarHBondContact OE1-CD 3.4Å; E18-R75 IonicContact OE1-CZ 2.77Å; E18-R75 IonicContact OE1-NE 2.87Å; E18-R75 IonicContact OE1-NH1 3.55Å; E18-R75 PolarHBondContact OE1-NH1 3.33Å; E18-R75 VanDerWaalsContact OE2-CB 3.28Å; E18-R75 WeakPolarHBondContact OE2-CB 3.31Å; E18-R75 IonicContact OE2-CZ 3.7Å; E18-R75 IonicContact OE2-NE 3.37Å; E18-R75 IonicContact OE2-NH1 3.79Å; E18-W81 HydrophobicContact CG-CH2 3.76Å; E18-W81 HydrophobicContact CG-CZ2 3.87Å; E18-W81 WeakPolarHBondContact OE1-CH2 3.35Å; E18-W81 WeakPolarHBondContact OE1-CZ2 3.07Å; E18-W81 WeakPolarHBondContact OE2-CH2 3.37Å; E18-W81 VanDerWaalsContact OE2-CZ2 3.24Å; E18-W81 WeakPolarHBondContact OE2-CZ2 3.35Å; E18-W81 WeakPolarHBondContact OE2-CZ3 3.47Å
19Y34Very low40.3Very low181 Ų181110.5 Ų110.571%0.7163%0.633SS**  trans-43.5139170.7-58.7-92.4000110.7T17 R21T17-Y19 PolarHBondContact O-N 2.81Å; Y19-R21 PolarHBondContact O-N 2.81Å
20L37.2Very low42.2Very low151 Ų151108.3 Ų108.379%0.79161%0.606SS**  trans-63.276154.2-84166.4000107.7E18 K22 A39E18-L20 PolarHBondContact O-N 2.93Å; L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.94Å; L20-A39 HydrophobicContact CD1-CB 4.34Å
21R40.2Very low44.4Very low221 Ų221108.1 Ų108.183%0.83460%0.598SS**  trans-74.690.3175.8-176.6176.8-85-171.9-5.5107.1Y19 R23Y19-R21 PolarHBondContact O-N 2.81Å; R21-R23 PolarHBondContact O-N 3.02Å
22K45.9Very low47Very low90 Ų90103.1 Ų103.139%0.39157%0.573SS.*  trans-71.2112.5176.3-160.7-171.2-167.4170.80109.5L20 I24 L37L20-K22 VanDerWaalsContact C-N 3.31Å; L20-K22 PolarHBondContact O-N 2.94Å; K22-I24 HydrophobicContact CD-CD1 3.85Å; K22-I24 HydrophobicContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CE-CG1 3.48Å; K22-I24 HydrophobicContact CG-CD1 4.5Å; K22-I24 HydrophobicContact CG-CG1 3.89Å; K22-L37 HydrophobicContact CD-CB 3.85Å; K22-L37 HydrophobicContact CD-CD2 3.54Å; K22-L37 HydrophobicContact CD-CG 4.3Å; K22-L37 HydrophobicContact CG-CD2 4.33Å
23R48.6Very low49.4Very low152 Ų152100.7 Ų100.757%0.57456%0.563SS**  trans-89.8112.1150.7-96.7-171.8-156.3-95.63.5108.1W4 R21 S25W4-R23 HydrophobicContact CZ2-CG 4.43Å; R21-R23 PolarHBondContact O-N 3.02Å; R23-S25 PolarHBondContact O-N 3.21Å; R23-S25 VanDerWaalsContact O-N 3.14Å
24I55.9Low52.1Low74 Ų7497 Ų9738%0.37954%0.538SS..  trans-78.397.6166.9-61139.6000105.7K22 G26 V34K22-I24 HydrophobicContact CD-CD1 3.85Å; K22-I24 HydrophobicContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CD-CG1 3.48Å; K22-I24 VanDerWaalsContact CE-CG1 3.48Å; K22-I24 HydrophobicContact CG-CD1 4.5Å; K22-I24 HydrophobicContact CG-CG1 3.89Å; I24-G26 PolarHBondContact O-N 2.84Å; I24-V34 HydrophobicContact CD1-CB 3.9Å; I24-V34 HydrophobicContact CD1-CG1 4.2Å; I24-V34 WeakPolarHBondContact CD1-O 3.45Å; I24-V34 HydrophobicContact CG1-CB 4.06Å; I24-V34 HydrophobicContact CG2-CB 4.43Å
25S49.7Very low54.9Low117 Ų11796.3 Ų96.382%0.81852%0.524SS*.  trans-77.381.5170.838.40000108.7R23R23-S25 PolarHBondContact O-N 3.21Å; R23-S25 VanDerWaalsContact O-N 3.14Å
26G55.2Low57.8Low41 Ų4195.8 Ų95.842%0.42350%0.502SS..  trans-140.5134.7170.400000109I24I24-G26 PolarHBondContact O-N 2.84Å
27G51.9Low60.7Low45 Ų4595.9 Ų95.946%0.46450%0.5SS..  trans-76.5175.5169.500000111.2D29 S30G27-D29 PolarHBondContact O-N 2.76Å; G27-D29 VanDerWaalsContact O-N 3.12Å; G27-S30 WeakPolarHBondContact O-CB 3.18Å; G27-S30 PolarHBondContact O-N 3.07Å; G27-S30 PolarHBondContact O-OG 3.07Å
28P55Low63.5Low128 Ų12896.2 Ų96.283%0.83150%0.496SS*.THydrogen-bonded Turntrans-54.4-28.5172.922.2-31.8000112.6S30P28-S30 VanDerWaalsContact C-N 3.3Å; P28-S30 PolarHBondContact O-N 3.18Å
29D61.9Low66.2Low157 Ų15794.2 Ų94.284%0.8449%0.492SS*.THydrogen-bonded Turntrans-88.713.7179.4-48.3-47.5000114G27 T31G27-D29 PolarHBondContact O-N 2.76Å; G27-D29 VanDerWaalsContact O-N 3.12Å; D29-T31 PolarHBondContact O-N 3.35Å
30S71.4Confident68.9Low31 Ų3189.2 Ų89.222%0.21748%0.475CS..  trans-71.9130.1177.653.60000111.3G27 P28 V32G27-S30 WeakPolarHBondContact O-CB 3.18Å; G27-S30 PolarHBondContact O-N 3.07Å; G27-S30 PolarHBondContact O-OG 3.07Å; P28-S30 VanDerWaalsContact C-N 3.3Å; P28-S30 PolarHBondContact O-N 3.18Å; S30-V32 PolarHBondContact O-N 3.07Å
31T81.2Confident71.4Confident65 Ų6584.7 Ų84.740%0.39946%0.455SS..SBendtrans-57-30.9176.3-53.90000112.9D29 I58 S59 V60D29-T31 PolarHBondContact O-N 3.35Å; T31-I58 WeakPolarHBondContact O-CA 3.5Å; T31-S59 WeakPolarHBondContact CA-OG 3.37Å; T31-S59 PolarHBondContact O-N 2.78Å; T31-S59 PolarHBondContact O-OG 2.94Å; T31-V60 HydrophobicContact CG2-CB 3.9Å; T31-V60 WeakPolarHBondContact CG2-O 3.4Å
32V84.7Confident73.1Confident68 Ų6878.4 Ų78.441%0.41245%0.445SS..EExtended strand (participates in β ladder)trans-122.8109.6179.5-178.10000108.4S30 V34 V56 N57 I58S30-V32 PolarHBondContact O-N 3.07Å; V32-V34 HydrophobicContact CG1-CG2 4.46Å; V32-V56 HydrophobicContact CG1-CG2 3.47Å; V32-V56 VanDerWaalsContact CG1-CG2 3.47Å; V32-N57 WeakPolarHBondContact CA-O 3.35Å; V32-I58 HydrophobicContact CG1-CG1 4.48Å; V32-I58 HydrophobicContact CG2-CG1 4.37Å
33R86.3Confident74.8Confident124 Ų12478 Ų7847%0.46845%0.451SS..EExtended strand (participates in β ladder)trans-106.2114.1175.8-168.2-173.677162.62.1109.3D35 V56 N57R33-D35 IonicContact CZ-OD1 3.62Å; R33-D35 IonicContact CZ-OD2 3.65Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 PolarHBondContact NE-OD1 3.24Å; R33-D35 IonicContact NE-OD2 3.85Å; R33-D35 VanDerWaalsContact NH2-CG 3.32Å; R33-D35 IonicContact NH2-OD1 2.92Å; R33-D35 PolarHBondContact NH2-OD1 3.49Å; R33-D35 VanDerWaalsContact NH2-OD1 3.14Å; R33-D35 IonicContact NH2-OD2 3.89Å; R33-D35 PolarHBondContact NH2-OD2 3.4Å; R33-V56 CarbonylContact O-C 3.22Å; R33-V56 WeakPolarHBondContact O-CA 2.97Å; R33-V56 WeakPolarHBondContact O-CG2 3.31Å; R33-N57 HydrophobicContact CB-CB 4.37Å; R33-N57 PolarHBondContact N-O 2.89Å; R33-N57 PolarHBondContact O-N 2.86Å
34V87.7Confident76.3Confident25 Ų2574.6 Ų74.615%0.15244%0.444CS..EExtended strand (participates in β ladder)trans-91.2116.7175.5-176.70000109I24 V32 H36 L37 L54 V56I24-V34 HydrophobicContact CD1-CB 3.9Å; I24-V34 HydrophobicContact CD1-CG1 4.2Å; I24-V34 WeakPolarHBondContact CD1-O 3.45Å; I24-V34 HydrophobicContact CG1-CB 4.06Å; I24-V34 HydrophobicContact CG2-CB 4.43Å; V32-V34 HydrophobicContact CG1-CG2 4.46Å; V34-H36 WeakPolarHBondContact CG1-O 3.5Å; V34-L37 HydrophobicContact CG1-CB 4.38Å; V34-L54 HydrophobicContact CG1-CD1 3.61Å; V34-V56 HydrophobicContact CG2-CB 4.39Å; V34-V56 HydrophobicContact CG2-CG2 3.91Å
35D88.7Confident77.4Confident66 Ų6677.3 Ų77.335%0.35346%0.455SS..EExtended strand (participates in β ladder)trans-90.7-31.3-177.6-64.9-16.3000111.5R33 R55 Y116R33-D35 IonicContact CZ-OD1 3.62Å; R33-D35 IonicContact CZ-OD2 3.65Å; R33-D35 IonicContact NE-OD1 3.72Å; R33-D35 PolarHBondContact NE-OD1 3.24Å; R33-D35 IonicContact NE-OD2 3.85Å; R33-D35 VanDerWaalsContact NH2-CG 3.32Å; R33-D35 IonicContact NH2-OD1 2.92Å; R33-D35 PolarHBondContact NH2-OD1 3.49Å; R33-D35 VanDerWaalsContact NH2-OD1 3.14Å; R33-D35 IonicContact NH2-OD2 3.89Å; R33-D35 PolarHBondContact NH2-OD2 3.4Å; D35-R55 HydrophobicContact CB-CB 4.39Å; D35-R55 PolarHBondContact N-O 2.91Å; D35-Y116 WeakPolarHBondContact OD2-CE2 3.4Å
36H89.3Confident78.9Confident60 Ų6075.1 Ų75.128%0.27844%0.437SS..EExtended strand (participates in β ladder)trans-147.4139179.4-172.277.4000110.7V34 Q38 L54 R55V34-H36 WeakPolarHBondContact CG1-O 3.5Å; H36-Q38 PolarHBondContact NE2-OE1 3.42Å; H36-L54 WeakPolarHBondContact O-CA 2.87Å; H36-L54 WeakPolarHBondContact O-CD1 3.45Å; H36-R55 HydrophobicContact CB-CB 3.82Å; H36-R55 HydrophobicContact CB-CG 3.95Å; H36-R55 PolarHBondContact N-O 2.02Å; H36-R55 PolarHBondContact O-N 2.82Å
37L89Confident80.4Confident69 Ų6977.5 Ų77.536%0.36145%0.445SS..EExtended strand (participates in β ladder)trans-144.6121.3169.1178.877.9000108.1K22 V34 L52 T53 L54K22-L37 HydrophobicContact CD-CB 3.85Å; K22-L37 HydrophobicContact CD-CD2 3.54Å; K22-L37 HydrophobicContact CD-CG 4.3Å; K22-L37 HydrophobicContact CG-CD2 4.33Å; V34-L37 HydrophobicContact CG1-CB 4.38Å; L37-L52 HydrophobicContact CD1-CD1 3.67Å; L37-T53 CarbonylContact C-O 3.53Å; L37-T53 WeakPolarHBondContact CA-O 3.34Å; L37-L54 HydrophobicContact CD1-CB 4.33Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å
38Q89.5Confident82.1Confident82 Ų8276.2 Ų76.238%0.38343%0.432SS..EExtended strand (participates in β ladder)trans-134.4139.6173.4178.7166.7-5.200109H36 E40 L52 T53H36-Q38 PolarHBondContact NE2-OE1 3.42Å; Q38-E40 HydrophobicContact CG-CG 4.22Å; Q38-E40 PolarHBondContact NE2-OE1 3.16Å; Q38-L52 WeakPolarHBondContact O-CA 3.48Å; Q38-T53 PolarHBondContact N-O 2.81Å; Q38-T53 PolarHBondContact O-N 2.72Å
39A87.8Confident83.7Confident31 Ų3175 Ų7526%0.25642%0.417SS..EExtended strand (participates in β ladder)trans-134.4124.4-178.800000108L20 L50 R51L20-A39 HydrophobicContact CD1-CB 4.34Å; A39-L50 HydrophobicContact CB-CD1 3.82Å; A39-R51 CarbonylContact C-O 3.56Å; A39-R51 WeakPolarHBondContact CA-O 3.42Å
40E88.9Confident85Confident77 Ų7768.8 Ų68.836%0.3638%0.384SS..EExtended strand (participates in β ladder)trans-128143.7-178-62-179.2162.800110.4Q38 L50 R51Q38-E40 HydrophobicContact CG-CG 4.22Å; Q38-E40 PolarHBondContact NE2-OE1 3.16Å; E40-L50 CarbonylContact O-C 3.53Å; E40-L50 WeakPolarHBondContact O-CA 3.41Å; E40-R51 HydrophobicContact CB-CB 4.38Å; E40-R51 PolarHBondContact N-O 3.14Å; E40-R51 PolarHBondContact O-N 2.7Å
41P90.1Very high86Confident56 Ų5672.5 Ų72.536%0.36439%0.393SS..SBendcis-77.4170.4-0.432.9-35.5000113.1P43 I49P41-P43 CarbonylContact C-O 3.54Å; P41-P43 CarbonylContact O-C 3.57Å; P41-I49 WeakPolarHBondContact CD-O 3.37Å
42S76.2Confident86.5Confident89 Ų8970.6 Ų70.662%0.62238%0.38SS*.SBendtrans-128.6120.4171.9-166.30000109.7
43P81.2Confident86.8Confident80 Ų8068.3 Ų68.352%0.51937%0.366SS..SBendcis-62.5156.6-2.628-34000112.7T17 P41T17-P43 HydrophobicContact CG2-CB 3.76Å; T17-P43 HydrophobicContact CG2-CG 4.19Å; P41-P43 CarbonylContact C-O 3.54Å; P41-P43 CarbonylContact O-C 3.57Å
44L80.5Confident87.1Confident81 Ų8163.2 Ų63.242%0.42435%0.348SS..PPolyproline II helixtrans-75.1127.2178.4-170.462.6000110.3V46 L50 L125L44-V46 HydrophobicContact CG-CG2 4.38Å; L44-L50 HydrophobicContact CD1-CB 4.15Å; L44-L50 HydrophobicContact CD1-CD1 3.64Å; L44-L50 HydrophobicContact CD1-CG 4.4Å; L44-L125 HydrophobicContact CD1-CD1 3.57Å; L44-L125 HydrophobicContact CD2-CD1 3.49Å; L44-L125 VanDerWaalsContact CD2-CD1 3.49Å; L44-L125 HydrophobicContact CG-CD1 3.53Å
45E79.3Confident87.2Confident131 Ų13167.4 Ų67.461%0.61236%0.361SS*.PPolyproline II helixtrans-89.5130176.1-63.1-178-178.300110.3
46V81.1Confident87.3Confident72 Ų7264.4 Ų64.444%0.43635%0.345SS..SBendtrans-133.1123.7177.9-1750000109.5L44 L125 P128L44-V46 HydrophobicContact CG-CG2 4.38Å; V46-L125 HydrophobicContact CG2-CD1 4.04Å; V46-P128 HydrophobicContact CG1-CG 4.3Å
47P85.8Confident87.4Confident91 Ų9164.1 Ų64.159%0.59135%0.346SS*.SBendcis-66.6152.9-7.931.7-35.6000111.5L125P47-L125 CarbonylContact C-O 3.55Å; P47-L125 WeakPolarHBondContact CA-O 3.32Å; P47-L125 VanDerWaalsContact CB-O 3.28Å; P47-L125 WeakPolarHBondContact CB-O 3.04Å
48G88.4Confident87.5Confident18 Ų1861.1 Ų61.119%0.18633%0.33CS..EExtended strand (participates in β ladder)trans179.1-172.8-174.400000113.3L125G48-L125 PolarHBondContact N-O 3.44Å; G48-L125 PolarHBondContact O-N 3.18Å
49I88.8Confident87.4Confident103 Ų10360.5 Ų60.553%0.52834%0.335SS..EExtended strand (participates in β ladder)trans-103.5126.9177-62.8176.5000108.6P41 T122 L124P41-I49 WeakPolarHBondContact CD-O 3.37Å; I49-T122 HydrophobicContact CG2-CG2 3.16Å; I49-L124 HydrophobicContact CG1-CD2 3.93Å
50L89.9Confident87.5Confident26 Ų2663 Ų6314%0.13635%0.346CS..EExtended strand (participates in β ladder)trans-108.5119.7172.6169.966.2000109.5A39 E40 L44 T122 F123 L125A39-L50 HydrophobicContact CB-CD1 3.82Å; E40-L50 CarbonylContact O-C 3.53Å; E40-L50 WeakPolarHBondContact O-CA 3.41Å; L44-L50 HydrophobicContact CD1-CB 4.15Å; L44-L50 HydrophobicContact CD1-CD1 3.64Å; L44-L50 HydrophobicContact CD1-CG 4.4Å; L50-T122 CarbonylContact O-C 3.53Å; L50-T122 WeakPolarHBondContact O-CA 3.47Å; L50-F123 HydrophobicContact CB-CB 4.44Å; L50-F123 PolarHBondContact N-O 2.79Å; L50-F123 PolarHBondContact O-N 3.36Å; L50-L125 HydrophobicContact CB-CD1 3.78Å; L50-L125 HydrophobicContact CB-CD2 4.18Å; L50-L125 HydrophobicContact CB-CG 3.79Å; L50-L125 HydrophobicContact CD2-CD1 4.42Å; L50-L125 HydrophobicContact CD2-CD2 4.08Å
51R92.2Very high87.5Confident108 Ų10862.7 Ų62.741%0.40835%0.352SS..EExtended strand (participates in β ladder)trans-91.9123.8162.9-173.9-179.2178.5-174.62109.4A39 E40 D120 E121A39-R51 CarbonylContact C-O 3.56Å; A39-R51 WeakPolarHBondContact CA-O 3.42Å; E40-R51 HydrophobicContact CB-CB 4.38Å; E40-R51 PolarHBondContact N-O 3.14Å; E40-R51 PolarHBondContact O-N 2.7Å; R51-D120 IonicContact CZ-OD1 2.72Å; R51-D120 IonicContact CZ-OD2 3.73Å; R51-D120 IonicContact NE-OD1 3.49Å; R51-D120 PolarHBondContact NE-OD1 3.49Å; R51-D120 IonicContact NE-OD2 3.15Å; R51-D120 IonicContact NH2-OD1 2.94Å; R51-D120 PolarHBondContact NH2-OD1 2.93Å; R51-D120 IonicContact NH2-OD2 3.14Å; R51-D120 PolarHBondContact NH2-OD2 3.14Å; R51-E121 WeakPolarHBondContact CA-O 3.12Å
52L90.7Very high87.3Confident26 Ų2661.8 Ų61.814%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-114.7116.4179.4-177.872.3000109.8L37 Q38 L54 L107 D120 E121 F123L37-L52 HydrophobicContact CD1-CD1 3.67Å; Q38-L52 WeakPolarHBondContact O-CA 3.48Å; L52-L54 HydrophobicContact CG-CB 4.47Å; L52-L107 HydrophobicContact CD2-CD2 4.04Å; L52-D120 WeakPolarHBondContact O-CA 3.49Å; L52-E121 PolarHBondContact N-O 3Å; L52-E121 PolarHBondContact O-N 3.22Å; L52-F123 HydrophobicContact CB-CD2 4.14Å; L52-F123 HydrophobicContact CB-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CE2 4.1Å
53T91.7Very high87.9Confident20 Ų2061.5 Ų61.512%0.12334%0.342CS..EExtended strand (participates in β ladder)trans-105.8113.9170.1-46.90000109.1L37 Q38 I119 D120L37-T53 CarbonylContact C-O 3.53Å; L37-T53 WeakPolarHBondContact CA-O 3.34Å; Q38-T53 PolarHBondContact N-O 2.81Å; Q38-T53 PolarHBondContact O-N 2.72Å; T53-I119 CarbonylContact C-O 3.52Å; T53-I119 VanDerWaalsContact CA-O 3.31Å; T53-I119 WeakPolarHBondContact CA-O 3.4Å; T53-D120 PolarHBondContact OG1-OD1 2.7Å
54L91.3Very high88.3Confident16 Ų1666.2 Ų66.28%0.08436%0.357CS..EExtended strand (participates in β ladder)trans-130.8124.3-174.3170.361.8000110.2V34 H36 L37 L52 V56 F108 I119V34-L54 HydrophobicContact CG1-CD1 3.61Å; H36-L54 WeakPolarHBondContact O-CA 2.87Å; H36-L54 WeakPolarHBondContact O-CD1 3.45Å; L37-L54 HydrophobicContact CD1-CB 4.33Å; L37-L54 HydrophobicContact CD1-CD1 3.95Å; L52-L54 HydrophobicContact CG-CB 4.47Å; L54-V56 HydrophobicContact CD1-CB 4.3Å; L54-V56 HydrophobicContact CG-CG1 4.33Å; L54-F108 HydrophobicContact CD2-CZ 4.09Å; L54-I119 HydrophobicContact CB-CB 4.23Å; L54-I119 HydrophobicContact CD2-CD1 4Å; L54-I119 HydrophobicContact CG-CD1 4.37Å; L54-I119 PolarHBondContact N-O 3Å; L54-I119 PolarHBondContact O-N 2.75Å
55R91.8Very high88.7Confident114 Ų11466.6 Ų66.643%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-116.1119.7169.6-58.5178.4-176.1157.72.7109.4D35 H36 Y117D35-R55 HydrophobicContact CB-CB 4.39Å; D35-R55 PolarHBondContact N-O 2.91Å; H36-R55 HydrophobicContact CB-CB 3.82Å; H36-R55 HydrophobicContact CB-CG 3.95Å; H36-R55 PolarHBondContact N-O 2.02Å; H36-R55 PolarHBondContact O-N 2.82Å; R55-Y117 WeakPolarHBondContact CA-O 3.19Å
56V90.8Very high89.1Confident2 Ų262.5 Ų62.51%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-140.6135.2-174.161.90000110.8V32 R33 V34 L54 I58 F108 Y117V32-V56 HydrophobicContact CG1-CG2 3.47Å; V32-V56 VanDerWaalsContact CG1-CG2 3.47Å; R33-V56 CarbonylContact O-C 3.22Å; R33-V56 WeakPolarHBondContact O-CA 2.97Å; R33-V56 WeakPolarHBondContact O-CG2 3.31Å; V34-V56 HydrophobicContact CG2-CB 4.39Å; V34-V56 HydrophobicContact CG2-CG2 3.91Å; L54-V56 HydrophobicContact CD1-CB 4.3Å; L54-V56 HydrophobicContact CG-CG1 4.33Å; V56-I58 HydrophobicContact CG2-CG1 4.29Å; V56-F108 HydrophobicContact CG1-CE1 3.49Å; V56-F108 VanDerWaalsContact CG1-CE1 3.49Å; V56-F108 HydrophobicContact CG1-CZ 3.73Å; V56-Y117 HydrophobicContact CG1-CD2 4.47Å; V56-Y117 PolarHBondContact N-O 3.46Å; V56-Y117 PolarHBondContact O-N 3.45Å
57N90.3Very high89.4Confident55 Ų5565.6 Ų65.629%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-102.5123.5171.3-173.311.2000109.3V32 R33 Y116V32-N57 WeakPolarHBondContact CA-O 3.35Å; R33-N57 HydrophobicContact CB-CB 4.37Å; R33-N57 PolarHBondContact N-O 2.89Å; R33-N57 PolarHBondContact O-N 2.86Å; N57-Y116 HydrophobicContact CB-CD2 3.92Å; N57-Y116 HydrophobicContact CB-CE2 4.37Å
58I90.3Very high89.5Confident6 Ų663.8 Ų63.83%0.03133%0.332CS..EExtended strand (participates in β ladder)trans-109.2110.2173.7-58.4-176.1000107.1T31 V32 V56 V60 I112 A114 S115 Y117T31-I58 WeakPolarHBondContact O-CA 3.5Å; V32-I58 HydrophobicContact CG1-CG1 4.48Å; V32-I58 HydrophobicContact CG2-CG1 4.37Å; V56-I58 HydrophobicContact CG2-CG1 4.29Å; I58-V60 WeakPolarHBondContact CG2-O 3.45Å; I58-I112 HydrophobicContact CD1-CG2 3.55Å; I58-A114 CarbonylContact O-C 3.45Å; I58-A114 WeakPolarHBondContact O-CA 3.41Å; I58-A114 WeakPolarHBondContact O-CB 3.45Å; I58-S115 PolarHBondContact N-O 3.24Å; I58-S115 PolarHBondContact O-N 3.49Å; I58-Y117 HydrophobicContact CB-CE2 4.43Å; I58-Y117 HydrophobicContact CD1-CD2 4.06Å; I58-Y117 HydrophobicContact CD1-CE2 3.82Å; I58-Y117 HydrophobicContact CG1-CD2 4.25Å; I58-Y117 HydrophobicContact CG1-CE2 4.24Å
59S89.1Confident89.5Confident69 Ų6967.7 Ų67.748%0.48334%0.344SS..SBendtrans-82-30.1-175.358.40000113.3T31 A114T31-S59 WeakPolarHBondContact CA-OG 3.37Å; T31-S59 PolarHBondContact O-N 2.78Å; T31-S59 PolarHBondContact O-OG 2.94Å; S59-A114 WeakPolarHBondContact O-CB 3.46Å
60V88.5Confident89.5Confident82 Ų8266.3 Ų66.350%0.49734%0.337SS..SBendtrans-135137.6177.7-177.20000108.4T31 I58T31-V60 HydrophobicContact CG2-CB 3.9Å; T31-V60 WeakPolarHBondContact CG2-O 3.4Å; I58-V60 WeakPolarHBondContact CG2-O 3.45Å
61P89Confident89.5Confident72 Ų7270.8 Ų70.847%0.46836%0.356SS..PPolyproline II helixtrans-55131174.1-24.335.8000110.7A114P61-A114 HydrophobicContact CG-CB 4.32Å
62P86.6Confident89.3Confident36 Ų3668.8 Ų68.823%0.23435%0.353CS..PPolyproline II helixtrans-67.8155.6176.329-33.7000110.9V100 I112P62-V100 HydrophobicContact CB-CG1 4.37Å; P62-V100 HydrophobicContact CB-CG2 4.33Å; P62-V100 HydrophobicContact CG-CG1 3.92Å; P62-I112 HydrophobicContact CG-CB 3.92Å; P62-I112 HydrophobicContact CG-CD1 3.96Å; P62-I112 HydrophobicContact CG-CG1 4.43Å; P62-I112 HydrophobicContact CG-CG2 4.13Å
63P89.1Confident89.1Confident84 Ų8475 Ų7555%0.54537%0.374SS..PPolyproline II helixtrans-62.8166.7171.528.9-35.6000111.4E65 V66 V100P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 WeakPolarHBondContact CG-O 3.44Å; P63-E65 PolarHBondContact O-N 2.92Å; P63-V66 HydrophobicContact CG-CG1 3.88Å; P63-V100 WeakPolarHBondContact O-CG2 3.49Å
64E88.8Confident88.8Confident179 Ų17980.4 Ų80.484%0.83640%0.396SS*.SBendtrans-61.2-34.9-180-64.4-173.616800112.9P99 V100E64-P99 WeakPolarHBondContact O-CA 3.15Å; E64-V100 PolarHBondContact O-N 2.83Å
65E90.2Very high88.5Confident89 Ų8983.8 Ų83.842%0.41641%0.408SS..EExtended strand (participates in β ladder)trans-127.6146.2177.6-61.7-174.8159.400111.4P63 H97 L98P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 WeakPolarHBondContact CG-O 3.44Å; P63-E65 PolarHBondContact O-N 2.92Å; E65-H97 VanDerWaalsContact OE2-CB 3.29Å; E65-H97 WeakPolarHBondContact OE2-CB 3.39Å; E65-H97 IonicContact OE2-CG 2.9Å; E65-H97 IonicContact OE2-ND1 2.76Å; E65-H97 PolarHBondContact OE2-ND1 3.26Å; E65-L98 WeakPolarHBondContact CA-O 3.22Å
66V86.9Confident88.1Confident44 Ų4483.8 Ų83.827%0.26742%0.415SS..EExtended strand (participates in β ladder)trans-131.2153.5178.9-70.60000111.5P63 V68 L98 V100P63-V66 HydrophobicContact CG-CG1 3.88Å; V66-V68 HydrophobicContact CG2-CG2 3.83Å; V66-L98 PolarHBondContact N-O 2.75Å; V66-L98 PolarHBondContact O-N 2.94Å; V66-V100 HydrophobicContact CB-CG2 4.12Å; V66-V100 HydrophobicContact CG1-CG2 3.45Å; V66-V100 VanDerWaalsContact CG1-CG2 3.45Å; V66-V100 HydrophobicContact CG2-CG2 3.67Å
67Y86.9Confident87.5Confident138 Ų13886.4 Ų86.454%0.54144%0.437SS..EExtended strand (participates in β ladder)trans-88.2122.8166.5176.6-94.9000109.7K69 D94 Y95 A96Y67-K69 HydrophobicContact CE1-CB 3.94Å; Y67-D94 HydrophobicContact CE2-CB 4.19Å; Y67-D94 PolarHBondContact OH-OD2 2.79Å; Y67-Y95 WeakPolarHBondContact CA-O 3.45Å; Y67-A96 HydrophobicContact CD2-CB 4.29Å
68V87.7Confident86.7Confident53 Ų5389.4 Ų89.432%0.32145%0.453SS..EExtended strand (participates in β ladder)trans-119119.9179.7-179.10000110.4V66 Y95 L98V66-V68 HydrophobicContact CG2-CG2 3.83Å; V68-Y95 HydrophobicContact CB-CD2 4.37Å; V68-Y95 HydrophobicContact CG1-CD2 4.46Å; V68-Y95 PolarHBondContact N-O 2.85Å; V68-Y95 PolarHBondContact O-N 3.28Å; V68-L98 HydrophobicContact CB-CD2 4.29Å; V68-L98 HydrophobicContact CG2-CD2 3.78Å
69K89.4Confident86.1Confident99 Ų9995.4 Ų95.443%0.4349%0.49SS..EExtended strand (participates in β ladder)trans-102.5109.2173.7179.7164.8-157.186.70110.1Y67 F71 D94Y67-K69 HydrophobicContact CE1-CB 3.94Å; K69-F71 HydrophobicContact CD-CE2 3.71Å; K69-F71 HydrophobicContact CD-CZ 3.76Å; K69-F71 HydrophobicContact CG-CD2 4.19Å; K69-F71 HydrophobicContact CG-CE2 3.51Å; K69-F71 HydrophobicContact CG-CZ 3.87Å; K69-D94 VanDerWaalsContact CG-OD1 3.32Å; K69-D94 WeakPolarHBondContact CG-OD1 3.22Å; K69-D94 IonicContact NZ-OD1 3.62Å; K69-D94 PolarHBondContact NZ-OD1 2.89Å; K69-D94 IonicContact NZ-OD2 2.79Å; K69-D94 PolarHBondContact NZ-OD2 2.84Å
70L89.1Confident85.9Confident75 Ų75100.6 Ų100.639%0.39350%0.499SS..  trans-99.6132.9-178.3-17662.4000110.9G91 S92 C93 Y95L70-G91 WeakPolarHBondContact CD2-O 3.14Å; L70-S92 CarbonylContact O-C 3.6Å; L70-S92 VanDerWaalsContact O-C 3.22Å; L70-S92 WeakPolarHBondContact O-CA 3.49Å; L70-S92 WeakPolarHBondContact O-CB 3.28Å; L70-C93 WeakPolarHBondContact CB-O 3.2Å; L70-C93 PolarHBondContact N-O 2.79Å; L70-C93 PolarHBondContact O-N 3.47Å; L70-Y95 HydrophobicContact CB-CE2 4.13Å; L70-Y95 HydrophobicContact CD2-CE2 4.25Å
71F89.3Confident85.8Confident120 Ų120102.2 Ų102.253%0.52650%0.496SS..  trans-120.8106.9172.8-67.5-80000109.9K69K69-F71 HydrophobicContact CD-CE2 3.71Å; K69-F71 HydrophobicContact CD-CZ 3.76Å; K69-F71 HydrophobicContact CG-CD2 4.19Å; K69-F71 HydrophobicContact CG-CE2 3.51Å; K69-F71 HydrophobicContact CG-CZ 3.87Å
72L86.9Confident85.8Confident65 Ų65101.5 Ų101.534%0.3449%0.49SS..  trans-102.8131.5177.1-173.163.1000110.4I84 F90 S92L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CD2-CB 4.15Å; L72-I84 HydrophobicContact CD2-CG1 4.22Å; L72-I84 HydrophobicContact CD2-CG2 4.34Å; L72-I84 HydrophobicContact CG-CB 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.15Å; L72-I84 PolarHBondContact O-N 3.18Å; L72-F90 HydrophobicContact CD2-CE1 4.25Å; L72-F90 HydrophobicContact CD2-CZ 4.15Å; L72-S92 PolarHBondContact N-OG 2.74Å; L72-S92 PolarHBondContact O-OG 2.63Å; L72-S92 VanDerWaalsContact O-OG 3.1Å
73R87.7Confident85.9Confident157 Ų157105.6 Ų105.659%0.59250%0.501SS*.EExtended strand (participates in β ladder)trans-128.5142174.2-67.8-179.2162.7-171.3-4.7109.9W81 V82 R83R73-W81 HydrophobicContact CB-CE3 3.69Å; R73-W81 HydrophobicContact CB-CZ3 4.23Å; R73-V82 CarbonylContact C-O 3.53Å; R73-V82 VanDerWaalsContact CA-O 3.27Å; R73-V82 WeakPolarHBondContact CA-O 3.4Å; R73-R83 HydrophobicContact CG-CB 4.49Å
74K84.3Confident85.9Confident134 Ų134103.6 Ų103.658%0.58349%0.485SS*.EExtended strand (participates in β ladder)trans-114.6132.5172.4-177.3175.9-179.8177.90109.1I76 V82 I84K74-I76 HydrophobicContact CG-CG1 4.43Å; K74-V82 PolarHBondContact N-O 3.05Å; K74-V82 PolarHBondContact O-N 2.96Å; K74-I84 HydrophobicContact CB-CD1 3.72Å; K74-I84 HydrophobicContact CB-CG1 4.1Å
75R86.1Confident86.1Confident87 Ų8798.5 Ų98.533%0.32847%0.468SS..EExtended strand (participates in β ladder)trans-77.1124.1167.4-171.7174.772.4-174.412.8108.9T16 E18 A77 W81T16-R75 PolarHBondContact O-NH2 2.87Å; T16-R75 VanDerWaalsContact O-NH2 3.11Å; E18-R75 VanDerWaalsContact OE1-CD 3.3Å; E18-R75 WeakPolarHBondContact OE1-CD 3.4Å; E18-R75 IonicContact OE1-CZ 2.77Å; E18-R75 IonicContact OE1-NE 2.87Å; E18-R75 IonicContact OE1-NH1 3.55Å; E18-R75 PolarHBondContact OE1-NH1 3.33Å; E18-R75 VanDerWaalsContact OE2-CB 3.28Å; E18-R75 WeakPolarHBondContact OE2-CB 3.31Å; E18-R75 IonicContact OE2-CZ 3.7Å; E18-R75 IonicContact OE2-NE 3.37Å; E18-R75 IonicContact OE2-NH1 3.79Å; R75-A77 WeakPolarHBondContact CG-O 3.12Å; R75-W81 HydrophobicContact CB-CD2 4.29Å; R75-W81 HydrophobicContact CB-CE3 4.17Å; R75-W81 HydrophobicContact CB-CZ3 4.35Å
76I82.8Confident86Confident114 Ų11497.5 Ų97.559%0.58547%0.47SS*.EExtended strand (participates in β ladder)trans-108.5-27.7-179.4-54.7-172.8000111.3K74 R80 V82K74-I76 HydrophobicContact CG-CG1 4.43Å; I76-R80 PolarHBondContact N-O 3.44Å; I76-R80 VanDerWaalsContact N-O 3.1Å; I76-V82 HydrophobicContact CD1-CB 3.75Å; I76-V82 HydrophobicContact CD1-CG1 4.35Å; I76-V82 HydrophobicContact CD1-CG2 3.51Å; I76-V82 HydrophobicContact CG1-CB 4.3Å; I76-V82 HydrophobicContact CG1-CG2 4.06Å
77A77.4Confident86Confident56 Ų56100 Ų10046%0.46348%0.481SS..EExtended strand (participates in β ladder)trans-143.8171.4174.800000109R75 T79 R80R75-A77 WeakPolarHBondContact CG-O 3.12Å; A77-T79 PolarHBondContact O-N 3.24Å; A77-R80 PolarHBondContact O-N 3.21Å; A77-R80 VanDerWaalsContact O-N 3.17Å
78D74.6Confident86Confident119 Ų119102.3 Ų102.364%0.63649%0.494SS*.THydrogen-bonded Turntrans-49.8-29.3-168.6-66.3-31.5000115.4
79T77Confident85.7Confident132 Ų132101.6 Ų101.681%0.8150%0.498SS*.THydrogen-bonded Turntrans-126.4-7.8179.359.10000114.8A77A77-T79 PolarHBondContact O-N 3.24Å
80R85.1Confident85.3Confident177 Ų177102.1 Ų102.167%0.66850%0.5SS*.EExtended strand (participates in β ladder)trans-97.5112.3-172.9-169.3177.8-74.1-166.9-0.9111.5I76 A77 V82I76-R80 PolarHBondContact N-O 3.44Å; I76-R80 VanDerWaalsContact N-O 3.1Å; A77-R80 PolarHBondContact O-N 3.21Å; A77-R80 VanDerWaalsContact O-N 3.17Å; R80-V82 HydrophobicContact CG-CG2 4.2Å
81W87.6Confident85.1Confident117 Ų11798.6 Ų98.644%0.44348%0.482SS..EExtended strand (participates in β ladder)trans-95.9119.3169.1-71.188.9000110.7E18 R73 R75E18-W81 HydrophobicContact CG-CH2 3.76Å; E18-W81 HydrophobicContact CG-CZ2 3.87Å; E18-W81 WeakPolarHBondContact OE1-CH2 3.35Å; E18-W81 WeakPolarHBondContact OE1-CZ2 3.07Å; E18-W81 WeakPolarHBondContact OE2-CH2 3.37Å; E18-W81 VanDerWaalsContact OE2-CZ2 3.24Å; E18-W81 WeakPolarHBondContact OE2-CZ2 3.35Å; E18-W81 WeakPolarHBondContact OE2-CZ3 3.47Å; R73-W81 HydrophobicContact CB-CE3 3.69Å; R73-W81 HydrophobicContact CB-CZ3 4.23Å; R75-W81 HydrophobicContact CB-CD2 4.29Å; R75-W81 HydrophobicContact CB-CE3 4.17Å; R75-W81 HydrophobicContact CB-CZ3 4.35Å
82V87.8Confident85.2Confident56 Ų5693.2 Ų93.234%0.33946%0.46SS..EExtended strand (participates in β ladder)trans-102128.7175.9179.60000108.9R73 K74 I76 R80 I84R73-V82 CarbonylContact C-O 3.53Å; R73-V82 VanDerWaalsContact CA-O 3.27Å; R73-V82 WeakPolarHBondContact CA-O 3.4Å; K74-V82 PolarHBondContact N-O 3.05Å; K74-V82 PolarHBondContact O-N 2.96Å; I76-V82 HydrophobicContact CD1-CB 3.75Å; I76-V82 HydrophobicContact CD1-CG1 4.35Å; I76-V82 HydrophobicContact CD1-CG2 3.51Å; I76-V82 HydrophobicContact CG1-CB 4.3Å; I76-V82 HydrophobicContact CG1-CG2 4.06Å; R80-V82 HydrophobicContact CG-CG2 4.2Å; V82-I84 PolarHBondContact O-N 2.91Å
83R89.6Confident85.3Confident123 Ų12390.3 Ų90.346%0.46444%0.444SS..EExtended strand (participates in β ladder)trans-68.9125.4172.2-175.6-179.7-179.5-171.7-5.4108.6R73 P85 S92R73-R83 HydrophobicContact CG-CB 4.49Å; R83-P85 WeakPolarHBondContact O-CD 3.36Å; R83-S92 VanDerWaalsContact CG-OG 3.25Å; R83-S92 WeakPolarHBondContact CG-OG 3.21Å; R83-S92 PolarHBondContact NE-OG 3.06Å
84I88.7Confident85.5Confident41 Ų4186.5 Ų86.521%0.2144%0.436CS..PPolyproline II helixtrans-78.4118.1173.6-56-54.7000107.5L72 K74 V82 S92L72-I84 HydrophobicContact CB-CB 4.32Å; L72-I84 HydrophobicContact CD2-CB 4.15Å; L72-I84 HydrophobicContact CD2-CG1 4.22Å; L72-I84 HydrophobicContact CD2-CG2 4.34Å; L72-I84 HydrophobicContact CG-CB 4.23Å; L72-I84 HydrophobicContact CG-CG1 4.15Å; L72-I84 PolarHBondContact O-N 3.18Å; K74-I84 HydrophobicContact CB-CD1 3.72Å; K74-I84 HydrophobicContact CB-CG1 4.1Å; V82-I84 PolarHBondContact O-N 2.91Å; I84-S92 WeakPolarHBondContact O-CB 3.3Å; I84-S92 PolarHBondContact O-N 3.31Å; I84-S92 PolarHBondContact O-OG 2.97Å
85P92.3Very high85.6Confident73 Ų7383.5 Ų83.547%0.47442%0.421SS..PPolyproline II helixtrans-63.8160179.128.4-35.3000111R83 I87 F90R83-P85 WeakPolarHBondContact O-CD 3.36Å; P85-I87 HydrophobicContact CB-CG1 4.39Å; P85-I87 HydrophobicContact CG-CD1 3.78Å; P85-I87 HydrophobicContact CG-CG1 4.05Å; P85-I87 PolarHBondContact O-N 3.12Å; P85-F90 VanDerWaalsContact O-O 3.14Å
86C89.6Confident85.7Confident67 Ų6782.3 Ų82.345%0.45343%0.43SS..  trans-75.3112.8171.1-172.50000109.4F90 C93C86-F90 CarbonylContact C-O 3.45Å; C86-F90 WeakPolarHBondContact CA-O 3.37Å; C86-C93 VanDerWaalsContact CA-SG 3.53Å; C86-C93 HydrophobicContact CB-CB 3.94Å; C86-C93 WeakPolarHBondContact CB-SG 3.49Å; C86-C93 VanDerWaalsContact SG-CA 3.58Å; C86-C93 WeakPolarHBondContact SG-CB 3.29Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 3.22Å
87I86.9Confident86Confident96 Ų9683.5 Ų83.549%0.49243%0.433SS..BIsolated β-bridgetrans-130.2121178.3-60.3176.3000107.4P85 G89 F90P85-I87 HydrophobicContact CB-CG1 4.39Å; P85-I87 HydrophobicContact CG-CD1 3.78Å; P85-I87 HydrophobicContact CG-CG1 4.05Å; P85-I87 PolarHBondContact O-N 3.12Å; I87-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact O-N 3.13Å; I87-F90 PolarHBondContact N-O 3.2Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.18Å
88F86.1Confident86.4Confident187 Ų18782.1 Ų82.182%0.8242%0.418SS*.THydrogen-bonded Turntrans5134.2-177.5-54.1-60.1000114.5F90F88-F90 VanDerWaalsContact C-N 3.3Å; F88-F90 PolarHBondContact O-N 3.48Å
89G82.5Confident87.2Confident39 Ų3978.2 Ų78.240%0.40240%0.399SS..THydrogen-bonded Turntrans7810.9-177.200000114.3I87 Y95I87-G89 PolarHBondContact O-N 3.41Å; I87-G89 VanDerWaalsContact O-N 3.13Å; G89-Y95 PolarHBondContact O-OH 3.38Å
90F80.9Confident87.6Confident109 Ų10972.8 Ų72.848%0.47837%0.366SS..BIsolated β-bridgetrans-111.9141.3172.6-176.7-96000111.1L72 P85 C86 I87 F88 L132L72-F90 HydrophobicContact CD2-CE1 4.25Å; L72-F90 HydrophobicContact CD2-CZ 4.15Å; P85-F90 VanDerWaalsContact O-O 3.14Å; C86-F90 CarbonylContact C-O 3.45Å; C86-F90 WeakPolarHBondContact CA-O 3.37Å; I87-F90 PolarHBondContact N-O 3.2Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.18Å; F88-F90 VanDerWaalsContact C-N 3.3Å; F88-F90 PolarHBondContact O-N 3.48Å; F90-L132 HydrophobicContact CD2-CD1 4.42Å; F90-L132 HydrophobicContact CD2-CD2 4.24Å
91G85Confident87.9Confident2 Ų266.6 Ų66.62%0.02135%0.349CS..SBendtrans106.1-144179.800000113.2L70 C93L70-G91 WeakPolarHBondContact CD2-O 3.14Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 2.92Å
92S89.6Confident87.8Confident7 Ų763.9 Ų63.95%0.04934%0.343CS..SBendtrans-83.474.5-179.3-56.40000112.3L70 L72 R83 I84L70-S92 CarbonylContact O-C 3.6Å; L70-S92 VanDerWaalsContact O-C 3.22Å; L70-S92 WeakPolarHBondContact O-CA 3.49Å; L70-S92 WeakPolarHBondContact O-CB 3.28Å; L72-S92 PolarHBondContact N-OG 2.74Å; L72-S92 PolarHBondContact O-OG 2.63Å; L72-S92 VanDerWaalsContact O-OG 3.1Å; R83-S92 VanDerWaalsContact CG-OG 3.25Å; R83-S92 WeakPolarHBondContact CG-OG 3.21Å; R83-S92 PolarHBondContact NE-OG 3.06Å; I84-S92 WeakPolarHBondContact O-CB 3.3Å; I84-S92 PolarHBondContact O-N 3.31Å; I84-S92 PolarHBondContact O-OG 2.97Å
93C90Very high87.2Confident3 Ų366.5 Ų66.52%0.0235%0.354CS..  trans-100.7154.2-175.3-590000113.3L70 C86 G91 Y95L70-C93 WeakPolarHBondContact CB-O 3.2Å; L70-C93 PolarHBondContact N-O 2.79Å; L70-C93 PolarHBondContact O-N 3.47Å; C86-C93 VanDerWaalsContact CA-SG 3.53Å; C86-C93 HydrophobicContact CB-CB 3.94Å; C86-C93 WeakPolarHBondContact CB-SG 3.49Å; C86-C93 VanDerWaalsContact SG-CA 3.58Å; C86-C93 WeakPolarHBondContact SG-CB 3.29Å; C86-C93 CovalentContact SG-SG 2.04Å; C86-C93 PolarHBondContact SG-SG 3.22Å; G91-C93 VanDerWaalsContact C-N 3.35Å; G91-C93 PolarHBondContact O-N 2.92Å; C93-Y95 HydrophobicContact CB-CD2 4.42Å; C93-Y95 HydrophobicContact CB-CE1 4.05Å; C93-Y95 HydrophobicContact CB-CE2 3.75Å
94D91.2Very high86.9Confident78 Ų7861.9 Ų61.942%0.41734%0.34SS..EExtended strand (participates in β ladder)trans-104.5119167.5-67.1-3.3000107.9Y67 K69Y67-D94 HydrophobicContact CE2-CB 4.19Å; Y67-D94 PolarHBondContact OH-OD2 2.79Å; K69-D94 VanDerWaalsContact CG-OD1 3.32Å; K69-D94 WeakPolarHBondContact CG-OD1 3.22Å; K69-D94 IonicContact NZ-OD1 3.62Å; K69-D94 PolarHBondContact NZ-OD1 2.89Å; K69-D94 IonicContact NZ-OD2 2.79Å; K69-D94 PolarHBondContact NZ-OD2 2.84Å
95Y87.4Confident86.8Confident70 Ų7064.8 Ų64.828%0.27535%0.352SS..EExtended strand (participates in β ladder)trans-105.2103.3178.9-54-84.6000108.9Y67 V68 L70 G89 C93Y67-Y95 WeakPolarHBondContact CA-O 3.45Å; V68-Y95 HydrophobicContact CB-CD2 4.37Å; V68-Y95 HydrophobicContact CG1-CD2 4.46Å; V68-Y95 PolarHBondContact N-O 2.85Å; V68-Y95 PolarHBondContact O-N 3.28Å; L70-Y95 HydrophobicContact CB-CE2 4.13Å; L70-Y95 HydrophobicContact CD2-CE2 4.25Å; G89-Y95 PolarHBondContact O-OH 3.38Å; C93-Y95 HydrophobicContact CB-CD2 4.42Å; C93-Y95 HydrophobicContact CB-CE1 4.05Å; C93-Y95 HydrophobicContact CB-CE2 3.75Å
96A87.4Confident86.4Confident63 Ų6367.5 Ų67.552%0.52136%0.359SS..EExtended strand (participates in β ladder)trans-80144.3167.500000109.4Y67 L98Y67-A96 HydrophobicContact CD2-CB 4.29Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.05Å
97H88.4Confident86.2Confident138 Ų13866.4 Ų66.464%0.63935%0.348SS*.EExtended strand (participates in β ladder)trans59.537.6175.7-56.1-75.2000114E65 P99E65-H97 VanDerWaalsContact OE2-CB 3.29Å; E65-H97 WeakPolarHBondContact OE2-CB 3.39Å; E65-H97 IonicContact OE2-CG 2.9Å; E65-H97 IonicContact OE2-ND1 2.76Å; E65-H97 PolarHBondContact OE2-ND1 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.33Å
98L86.4Confident86.3Confident27 Ų2763.5 Ų63.514%0.14133%0.332CS..EExtended strand (participates in β ladder)trans-75.8116.6176.8-172.669.7000108.7E65 V66 V68 A96 V100 L102 L103E65-L98 WeakPolarHBondContact CA-O 3.22Å; V66-L98 PolarHBondContact N-O 2.75Å; V66-L98 PolarHBondContact O-N 2.94Å; V68-L98 HydrophobicContact CB-CD2 4.29Å; V68-L98 HydrophobicContact CG2-CD2 3.78Å; A96-L98 VanDerWaalsContact C-N 3.32Å; A96-L98 PolarHBondContact O-N 3.05Å; L98-V100 PolarHBondContact O-N 3.46Å; L98-L102 HydrophobicContact CD1-CD2 3.97Å; L98-L103 HydrophobicContact CD2-CD1 3.78Å; L98-L103 HydrophobicContact CD2-CG 4.49Å
99P91Very high86.4Confident38 Ų3856.1 Ų56.125%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-63.4124.5177.5-19.833.5000108.8E64 H97 C101 L102E64-P99 WeakPolarHBondContact O-CA 3.15Å; H97-P99 WeakPolarHBondContact O-CD 3.33Å; P99-C101 PolarHBondContact O-N 3.31Å; P99-L102 HydrophobicContact CB-CB 4.43Å; P99-L102 VanDerWaalsContact O-CB 3.25Å; P99-L102 WeakPolarHBondContact O-CB 3.39Å; P99-L102 PolarHBondContact O-N 2.89Å
100V87.1Confident86.7Confident18 Ų1857.5 Ų57.511%0.10931%0.311CS..Hα-helixtrans-56.2-41.7-173.8170.30000110.9P62 P63 E64 V66 L98 L102 T104 I112P62-V100 HydrophobicContact CB-CG1 4.37Å; P62-V100 HydrophobicContact CB-CG2 4.33Å; P62-V100 HydrophobicContact CG-CG1 3.92Å; P63-V100 WeakPolarHBondContact O-CG2 3.49Å; E64-V100 PolarHBondContact O-N 2.83Å; V66-V100 HydrophobicContact CB-CG2 4.12Å; V66-V100 HydrophobicContact CG1-CG2 3.45Å; V66-V100 VanDerWaalsContact CG1-CG2 3.45Å; V66-V100 HydrophobicContact CG2-CG2 3.67Å; L98-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.32Å; V100-T104 PolarHBondContact O-OG1 2.95Å; V100-I112 HydrophobicContact CG1-CD1 3.39Å; V100-I112 HydrophobicContact CG1-CG1 4.35Å
101C89.8Confident87.1Confident47 Ų4757.3 Ų57.332%0.31832%0.321SS..Hα-helixtrans-61.4-23.5178.8-810000115.1P99 L103 T104 H105 C110P99-C101 PolarHBondContact O-N 3.31Å; C101-L103 VanDerWaalsContact C-N 3.26Å; C101-L103 PolarHBondContact O-N 2.91Å; C101-T104 PolarHBondContact O-N 3.44Å; C101-H105 VanDerWaalsContact O-CB 3.31Å; C101-H105 WeakPolarHBondContact O-CB 3.18Å; C101-H105 PolarHBondContact O-N 3.47Å; C101-H105 VanDerWaalsContact O-N 3.16Å; C101-H105 PolarHBondContact O-ND1 2.96Å; C101-C110 WeakPolarHBondContact CA-SG 3.44Å; C101-C110 HydrophobicContact CB-CB 4.16Å; C101-C110 WeakPolarHBondContact CB-SG 3.24Å; C101-C110 WeakPolarHBondContact SG-CB 3.34Å; C101-C110 CovalentContact SG-SG 2.02Å; C101-C110 PolarHBondContact SG-SG 3.39Å
102L85.3Confident87.4Confident59 Ų5958 Ų5831%0.30932%0.324SS..Hα-helixtrans-59.3-39.6-175.7-173.367.5000112L98 P99 V100L98-L102 HydrophobicContact CD1-CD2 3.97Å; P99-L102 HydrophobicContact CB-CB 4.43Å; P99-L102 VanDerWaalsContact O-CB 3.25Å; P99-L102 WeakPolarHBondContact O-CB 3.39Å; P99-L102 PolarHBondContact O-N 2.89Å; V100-L102 PolarHBondContact O-N 3.32Å
103L75.3Confident87.5Confident111 Ų11164.4 Ų64.458%0.58135%0.351SS*.Hα-helixtrans-101.4-16.4-176.5-62.5-178.6000114L98 C101L98-L103 HydrophobicContact CD2-CD1 3.78Å; L98-L103 HydrophobicContact CD2-CG 4.49Å; C101-L103 VanDerWaalsContact C-N 3.26Å; C101-L103 PolarHBondContact O-N 2.91Å
104T84.4Confident87.6Confident27 Ų2766.7 Ų66.717%0.16637%0.37CS..Hα-helixtrans-116.6-8.9-164.558.20000114V100 C101 E106 L107 F108 I112V100-T104 PolarHBondContact O-OG1 2.95Å; C101-T104 PolarHBondContact O-N 3.44Å; T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 PolarHBondContact O-N 3.03Å; T104-L107 PolarHBondContact O-N 3.2Å; T104-F108 HydrophobicContact CG2-CD2 4.09Å; T104-F108 HydrophobicContact CG2-CE2 4.11Å; T104-F108 PolarHBondContact O-N 2.79Å; T104-I112 HydrophobicContact CG2-CD1 4.4Å; T104-I112 WeakPolarHBondContact OG1-CD1 3.47Å
105H86.8Confident87.8Confident101 Ų10165.8 Ų65.847%0.46837%0.37SS..Hα-helixtrans-57.4-38.6-176.474.5-78.3000112.8C101 L107 G109C101-H105 VanDerWaalsContact O-CB 3.31Å; C101-H105 WeakPolarHBondContact O-CB 3.18Å; C101-H105 PolarHBondContact O-N 3.47Å; C101-H105 VanDerWaalsContact O-N 3.16Å; C101-H105 PolarHBondContact O-ND1 2.96Å; H105-L107 PolarHBondContact O-N 3.32Å; H105-G109 WeakPolarHBondContact O-CA 3.41Å; H105-G109 PolarHBondContact O-N 2.96Å; H105-G109 VanDerWaalsContact O-N 3.07Å
106E83.7Confident88.1Confident131 Ų13168 Ų6861%0.61238%0.378SS*.Hα-helixtrans-67.7-23.5177.8-60.5-171.3168.400112.8T104 F123T104-E106 VanDerWaalsContact C-N 3.26Å; T104-E106 PolarHBondContact O-N 3.03Å; E106-F123 HydrophobicContact CB-CE1 4.49Å
107L85.1Confident88.4Confident43 Ų4366.9 Ų66.923%0.22536%0.361CS..Hα-helixtrans-99-41.3-174.5-67.2174000113.2L52 T104 H105 I119 F123L52-L107 HydrophobicContact CD2-CD2 4.04Å; T104-L107 PolarHBondContact O-N 3.2Å; H105-L107 PolarHBondContact O-N 3.32Å; L107-I119 HydrophobicContact CB-CD1 3.85Å; L107-I119 HydrophobicContact CD2-CD1 4.09Å; L107-I119 HydrophobicContact CD2-CG2 3.89Å; L107-I119 HydrophobicContact CG-CD1 4.48Å; L107-F123 HydrophobicContact CD2-CE1 4.5Å; L107-F123 HydrophobicContact CD2-CE2 4.25Å; L107-F123 HydrophobicContact CD2-CZ 3.6Å
108F88.6Confident88.7Confident36 Ų3664.3 Ų64.316%0.15836%0.359CS..Hα-helixtrans-120.8-8.8-171.1-52.9-52.2000113.8L54 V56 T104 I112 Y117 I119L54-F108 HydrophobicContact CD2-CZ 4.09Å; V56-F108 HydrophobicContact CG1-CE1 3.49Å; V56-F108 VanDerWaalsContact CG1-CE1 3.49Å; V56-F108 HydrophobicContact CG1-CZ 3.73Å; T104-F108 HydrophobicContact CG2-CD2 4.09Å; T104-F108 HydrophobicContact CG2-CE2 4.11Å; T104-F108 PolarHBondContact O-N 2.79Å; F108-I112 HydrophobicContact CB-CD1 4.32Å; F108-I112 HydrophobicContact CB-CG1 4.05Å; F108-I112 HydrophobicContact CB-CG2 4.38Å; F108-I112 HydrophobicContact CD2-CD1 3.89Å; F108-Y117 HydrophobicContact CB-CD1 4.5Å; F108-Y117 HydrophobicContact CB-CE1 4.04Å; F108-Y117 AromaticContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD2 4.03Å; F108-Y117 AromaticContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE2 4.38Å; F108-Y117 AromaticContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CE1-CD1 4.39Å; F108-Y117 HydrophobicContact CE1-CD2 4.35Å; F108-Y117 AromaticContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CG-CD1 4.48Å; F108-Y117 HydrophobicContact CG-CE1 4.43Å; F108-I119 HydrophobicContact CD1-CD1 3.82Å; F108-I119 HydrophobicContact CE1-CD1 3.34Å; F108-I119 HydrophobicContact CZ-CD1 4.14Å
109G88.1Confident88.9Confident32 Ų3263.6 Ų63.633%0.3336%0.355SS..  trans68.3-179.7-165.500000112.9H105H105-G109 WeakPolarHBondContact O-CA 3.41Å; H105-G109 PolarHBondContact O-N 2.96Å; H105-G109 VanDerWaalsContact O-N 3.07Å
110C89Confident89.1Confident67 Ų6765.4 Ų65.445%0.45336%0.363SS..SBendtrans-138.4130.7-179.6-76.60000111.4C101C101-C110 WeakPolarHBondContact CA-SG 3.44Å; C101-C110 HydrophobicContact CB-CB 4.16Å; C101-C110 WeakPolarHBondContact CB-SG 3.24Å; C101-C110 WeakPolarHBondContact SG-CB 3.34Å; C101-C110 CovalentContact SG-SG 2.02Å; C101-C110 PolarHBondContact SG-SG 3.39Å
111P90Very high89.3Confident106 Ų10669.6 Ų69.669%0.68838%0.381SS*.SBendcis-72.2150-1.631.2-35.6000112.7K113P111-K113 PolarHBondContact O-N 2.83Å
112I90Very high89.4Confident15 Ų1571.5 Ų71.58%0.07739%0.391CS..PPolyproline II helixtrans-68.4131.4174.5-58.1-177.3000109I58 P62 V100 T104 F108I58-I112 HydrophobicContact CD1-CG2 3.55Å; P62-I112 HydrophobicContact CG-CB 3.92Å; P62-I112 HydrophobicContact CG-CD1 3.96Å; P62-I112 HydrophobicContact CG-CG1 4.43Å; P62-I112 HydrophobicContact CG-CG2 4.13Å; V100-I112 HydrophobicContact CG1-CD1 3.39Å; V100-I112 HydrophobicContact CG1-CG1 4.35Å; T104-I112 HydrophobicContact CG2-CD1 4.4Å; T104-I112 WeakPolarHBondContact OG1-CD1 3.47Å; F108-I112 HydrophobicContact CB-CD1 4.32Å; F108-I112 HydrophobicContact CB-CG1 4.05Å; F108-I112 HydrophobicContact CB-CG2 4.38Å; F108-I112 HydrophobicContact CD2-CD1 3.89Å
113K92.8Very high89.4Confident143 Ų14370.7 Ų70.762%0.62239%0.385SS*.PPolyproline II helixtrans-103.8156.3178.9-62.6-178.3-177.8177.60110.3P111 S115 Y117P111-K113 PolarHBondContact O-N 2.83Å; K113-S115 PolarHBondContact O-N 2.9Å; K113-Y117 PolarHBondContact N-OH 3.47Å; K113-Y117 WeakPolarHBondContact O-CE2 3.22Å; K113-Y117 PolarHBondContact O-OH 3.02Å; K113-Y117 VanDerWaalsContact O-OH 3.07Å
114A92.6Very high90Very high51 Ų5172 Ų7242%0.42139%0.392SS..SBendtrans-66.6116.7167.200000108.7I58 S59 P61I58-A114 CarbonylContact O-C 3.45Å; I58-A114 WeakPolarHBondContact O-CA 3.41Å; I58-A114 WeakPolarHBondContact O-CB 3.45Å; S59-A114 WeakPolarHBondContact O-CB 3.46Å; P61-A114 HydrophobicContact CG-CB 4.32Å
115S93.9Very high89.9Confident58 Ų5872.7 Ų72.741%0.40640%0.395SS..EExtended strand (participates in β ladder)trans-168.3165.8-178.2-166.30000110.9I58 K113 Y117I58-S115 PolarHBondContact N-O 3.24Å; I58-S115 PolarHBondContact O-N 3.49Å; K113-S115 PolarHBondContact O-N 2.9Å; S115-Y117 WeakPolarHBondContact O-CD2 3.22Å
116Y94.2Very high89.5Confident117 Ų11773.7 Ų73.746%0.45940%0.397SS..EExtended strand (participates in β ladder)trans-87.2118.6162.6-167.5-96.5000109.7D35 N57D35-Y116 WeakPolarHBondContact OD2-CE2 3.4Å; N57-Y116 HydrophobicContact CB-CD2 3.92Å; N57-Y116 HydrophobicContact CB-CE2 4.37Å
117Y93.4Very high88.9Confident39 Ų3970.7 Ų70.715%0.15339%0.386CS..EExtended strand (participates in β ladder)trans-105.3130.7177.9-65-92.2000110R55 V56 I58 F108 K113 S115R55-Y117 WeakPolarHBondContact CA-O 3.19Å; V56-Y117 HydrophobicContact CG1-CD2 4.47Å; V56-Y117 PolarHBondContact N-O 3.46Å; V56-Y117 PolarHBondContact O-N 3.45Å; I58-Y117 HydrophobicContact CB-CE2 4.43Å; I58-Y117 HydrophobicContact CD1-CD2 4.06Å; I58-Y117 HydrophobicContact CD1-CE2 3.82Å; I58-Y117 HydrophobicContact CG1-CD2 4.25Å; I58-Y117 HydrophobicContact CG1-CE2 4.24Å; F108-Y117 HydrophobicContact CB-CD1 4.5Å; F108-Y117 HydrophobicContact CB-CE1 4.04Å; F108-Y117 AromaticContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD1 3.61Å; F108-Y117 HydrophobicContact CD1-CD2 4.03Å; F108-Y117 AromaticContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE1 3.98Å; F108-Y117 HydrophobicContact CD1-CE2 4.38Å; F108-Y117 AromaticContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CD1-CG 3.62Å; F108-Y117 HydrophobicContact CE1-CD1 4.39Å; F108-Y117 HydrophobicContact CE1-CD2 4.35Å; F108-Y117 AromaticContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CE1-CG 3.99Å; F108-Y117 HydrophobicContact CG-CD1 4.48Å; F108-Y117 HydrophobicContact CG-CE1 4.43Å; K113-Y117 PolarHBondContact N-OH 3.47Å; K113-Y117 WeakPolarHBondContact O-CE2 3.22Å; K113-Y117 PolarHBondContact O-OH 3.02Å; K113-Y117 VanDerWaalsContact O-OH 3.07Å; S115-Y117 WeakPolarHBondContact O-CD2 3.22Å
118S95Very high87.8Confident84 Ų8471.7 Ų71.759%0.58740%0.395SS*.EExtended strand (participates in β ladder)trans-122.4107171.6-178.60000108.3
119I91.8Very high86.4Confident12 Ų1277.1 Ų77.16%0.06242%0.421CS..EExtended strand (participates in β ladder)trans-110.2133.2-175.5-62.4158.1000108.2T53 L54 L107 F108 E121T53-I119 CarbonylContact C-O 3.52Å; T53-I119 VanDerWaalsContact CA-O 3.31Å; T53-I119 WeakPolarHBondContact CA-O 3.4Å; L54-I119 HydrophobicContact CB-CB 4.23Å; L54-I119 HydrophobicContact CD2-CD1 4Å; L54-I119 HydrophobicContact CG-CD1 4.37Å; L54-I119 PolarHBondContact N-O 3Å; L54-I119 PolarHBondContact O-N 2.75Å; L107-I119 HydrophobicContact CB-CD1 3.85Å; L107-I119 HydrophobicContact CD2-CD1 4.09Å; L107-I119 HydrophobicContact CD2-CG2 3.89Å; L107-I119 HydrophobicContact CG-CD1 4.48Å; F108-I119 HydrophobicContact CD1-CD1 3.82Å; F108-I119 HydrophobicContact CE1-CD1 3.34Å; F108-I119 HydrophobicContact CZ-CD1 4.14Å; I119-E121 HydrophobicContact CG2-CB 3.99Å; I119-E121 HydrophobicContact CG2-CG 3.66Å
120D93.9Very high85Confident77 Ų7779.2 Ų79.241%0.41243%0.427SS..EExtended strand (participates in β ladder)trans-141.388.9169.2-172.68000107.1R51 L52 T53R51-D120 IonicContact CZ-OD1 2.72Å; R51-D120 IonicContact CZ-OD2 3.73Å; R51-D120 IonicContact NE-OD1 3.49Å; R51-D120 PolarHBondContact NE-OD1 3.49Å; R51-D120 IonicContact NE-OD2 3.15Å; R51-D120 IonicContact NH2-OD1 2.94Å; R51-D120 PolarHBondContact NH2-OD1 2.93Å; R51-D120 IonicContact NH2-OD2 3.14Å; R51-D120 PolarHBondContact NH2-OD2 3.14Å; L52-D120 WeakPolarHBondContact O-CA 3.49Å; T53-D120 PolarHBondContact OG1-OD1 2.7Å
121E91.3Very high83.5Confident106 Ų10678.4 Ų78.450%0.49542%0.422SS..EExtended strand (participates in β ladder)trans-129153.7-168-72.1-66.6173.700111.2R51 L52 I119 F123R51-E121 WeakPolarHBondContact CA-O 3.12Å; L52-E121 PolarHBondContact N-O 3Å; L52-E121 PolarHBondContact O-N 3.22Å; I119-E121 HydrophobicContact CG2-CB 3.99Å; I119-E121 HydrophobicContact CG2-CG 3.66Å; E121-F123 HydrophobicContact CB-CD2 4.49Å; E121-F123 HydrophobicContact CB-CE2 3.58Å; E121-F123 HydrophobicContact CB-CZ 3.73Å
122T91.8Very high81.9Confident87 Ų8776.7 Ų76.753%0.53441%0.407SS..EExtended strand (participates in β ladder)trans-114.5125.2-179-58.20000110.6I49 L50I49-T122 HydrophobicContact CG2-CG2 3.16Å; L50-T122 CarbonylContact O-C 3.53Å; L50-T122 WeakPolarHBondContact O-CA 3.47Å
123F86.5Confident80.2Confident42 Ų4278.7 Ų78.718%0.18442%0.422CS..EExtended strand (participates in β ladder)trans-116139.5-176.2-59.7-88.7000111L50 L52 E106 L107 E121 L125L50-F123 HydrophobicContact CB-CB 4.44Å; L50-F123 PolarHBondContact N-O 2.79Å; L50-F123 PolarHBondContact O-N 3.36Å; L52-F123 HydrophobicContact CB-CD2 4.14Å; L52-F123 HydrophobicContact CB-CE2 3.88Å; L52-F123 HydrophobicContact CD2-CE2 4.1Å; E106-F123 HydrophobicContact CB-CE1 4.49Å; L107-F123 HydrophobicContact CD2-CE1 4.5Å; L107-F123 HydrophobicContact CD2-CE2 4.25Å; L107-F123 HydrophobicContact CD2-CZ 3.6Å; E121-F123 HydrophobicContact CB-CD2 4.49Å; E121-F123 HydrophobicContact CB-CE2 3.58Å; E121-F123 HydrophobicContact CB-CZ 3.73Å; F123-L125 PolarHBondContact O-N 2.93Å
124L87.1Confident78.8Confident138 Ų13878.8 Ų78.872%0.72342%0.418SS*.EExtended strand (participates in β ladder)trans-85.9108.3170-73167.6000109.8I49 K126I49-L124 HydrophobicContact CG1-CD2 3.93Å; L124-K126 PolarHBondContact O-N 2.78Å
125L81.5Confident77.3Confident42 Ų4280.3 Ų80.322%0.2242%0.419CS..EExtended strand (participates in β ladder)trans-77.1113.6173.8-62.3-176.7000109.8L44 V46 P47 G48 L50 F123L44-L125 HydrophobicContact CD1-CD1 3.57Å; L44-L125 HydrophobicContact CD2-CD1 3.49Å; L44-L125 VanDerWaalsContact CD2-CD1 3.49Å; L44-L125 HydrophobicContact CG-CD1 3.53Å; V46-L125 HydrophobicContact CG2-CD1 4.04Å; P47-L125 CarbonylContact C-O 3.55Å; P47-L125 WeakPolarHBondContact CA-O 3.32Å; P47-L125 VanDerWaalsContact CB-O 3.28Å; P47-L125 WeakPolarHBondContact CB-O 3.04Å; G48-L125 PolarHBondContact N-O 3.44Å; G48-L125 PolarHBondContact O-N 3.18Å; L50-L125 HydrophobicContact CB-CD1 3.78Å; L50-L125 HydrophobicContact CB-CD2 4.18Å; L50-L125 HydrophobicContact CB-CG 3.79Å; L50-L125 HydrophobicContact CD2-CD1 4.42Å; L50-L125 HydrophobicContact CD2-CD2 4.08Å; F123-L125 PolarHBondContact O-N 2.93Å
126K79.9Confident75.8Confident121 Ų12180.9 Ų80.953%0.52642%0.417SS..  trans-87.5154.4173.3-61.9-179.9-177.7-179.80110.3L124L124-K126 PolarHBondContact O-N 2.78Å
127N69.6Low74.4Confident69 Ų6981.7 Ų81.737%0.36943%0.425SS..  trans-52.6133176.8-165.618.6000110E129 T130 S131N127-E129 PolarHBondContact O-N 3.27Å; N127-T130 PolarHBondContact O-N 2.81Å; N127-T130 PolarHBondContact O-OG1 2.85Å; N127-S131 PolarHBondContact O-N 3.2Å
128P63.1Low73Confident63 Ų6384.4 Ų84.441%0.40944%0.439SS..Hα-helixtrans-57.1-30.8-171.4-2534.9000113.2V46 T130 S131 L132V46-P128 HydrophobicContact CG1-CG 4.3Å; P128-T130 VanDerWaalsContact C-N 3.33Å; P128-T130 PolarHBondContact O-N 3.11Å; P128-S131 PolarHBondContact O-N 2.77Å; P128-L132 HydrophobicContact CB-CD1 4.37Å; P128-L132 WeakPolarHBondContact O-CB 3.04Å; P128-L132 VanDerWaalsContact O-CG 3.24Å; P128-L132 WeakPolarHBondContact O-CG 3.48Å; P128-L132 PolarHBondContact O-N 2.8Å
129E59.6Low71.5Confident151 Ų15182.7 Ų82.771%0.70643%0.425SS*.Hα-helixtrans-62-40.3177.8-60.2-177.3159.100112.3N127 S133N127-E129 PolarHBondContact O-N 3.27Å; E129-S133 WeakPolarHBondContact O-CB 3.24Å; E129-S133 PolarHBondContact O-N 2.96Å; E129-S133 PolarHBondContact O-OG 2.86Å
130T57.3Low70.1Confident76 Ų7690.3 Ų90.347%0.46645%0.453SS..Hα-helixtrans-74.7-33177.163.10000112.4N127 P128 S133 R134N127-T130 PolarHBondContact O-N 2.81Å; N127-T130 PolarHBondContact O-OG1 2.85Å; P128-T130 VanDerWaalsContact C-N 3.33Å; P128-T130 PolarHBondContact O-N 3.11Å; T130-S133 PolarHBondContact O-OG 3.13Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; T130-R134 WeakPolarHBondContact O-CB 3.3Å; T130-R134 PolarHBondContact O-N 3.37Å
131S59Low68.8Low49 Ų4989.3 Ų89.334%0.34346%0.456SS..Hα-helixtrans-77.8-43.1179.3-64.40000112.1N127 P128 R134 L135N127-S131 PolarHBondContact O-N 3.2Å; P128-S131 PolarHBondContact O-N 2.77Å; S131-R134 PolarHBondContact O-N 2.04Å; S131-L135 VanDerWaalsContact O-CB 3.3Å; S131-L135 WeakPolarHBondContact O-CB 3.28Å; S131-L135 PolarHBondContact O-N 3.07Å
132L56.3Low67.4Low71 Ų7190.7 Ų90.737%0.37246%0.46SS..Hα-helixtrans-66.9-42.4179.9-74.7168.6000111.6F90 P128 R134 L135 L136F90-L132 HydrophobicContact CD2-CD1 4.42Å; F90-L132 HydrophobicContact CD2-CD2 4.24Å; P128-L132 HydrophobicContact CB-CD1 4.37Å; P128-L132 WeakPolarHBondContact O-CB 3.04Å; P128-L132 VanDerWaalsContact O-CG 3.24Å; P128-L132 WeakPolarHBondContact O-CG 3.48Å; P128-L132 PolarHBondContact O-N 2.8Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.5Å; L132-L135 PolarHBondContact O-N 3.44Å; L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.98Å
133S54.8Low65.7Low57 Ų5794.9 Ų94.940%0.39947%0.466SS..Hα-helixtrans-58.7-45174.949.30000111.5E129 T130 Q137E129-S133 WeakPolarHBondContact O-CB 3.24Å; E129-S133 PolarHBondContact O-N 2.96Å; E129-S133 PolarHBondContact O-OG 2.86Å; T130-S133 PolarHBondContact O-OG 3.13Å; T130-S133 VanDerWaalsContact O-OG 3.05Å; S133-Q137 WeakPolarHBondContact O-CB 2.84Å; S133-Q137 WeakPolarHBondContact O-CG 3.48Å; S133-Q137 PolarHBondContact O-N 2.88Å
134R62.1Low64.4Low144 Ų14496.6 Ų96.654%0.54349%0.488SS..Hα-helixtrans-66.7-41.6176.5-175.3175.1159.1162.5-6.2112.9T130 S131 L132 Q137 Q138T130-R134 WeakPolarHBondContact O-CB 3.3Å; T130-R134 PolarHBondContact O-N 3.37Å; S131-R134 PolarHBondContact O-N 2.04Å; L132-R134 VanDerWaalsContact C-N 3.32Å; L132-R134 PolarHBondContact O-N 3.5Å; R134-Q137 WeakPolarHBondContact O-CB 2.91Å; R134-Q137 PolarHBondContact O-N 2.89Å; R134-Q138 WeakPolarHBondContact O-CG 3.25Å; R134-Q138 PolarHBondContact O-N 3.23Å
135L60.8Low62.7Low84 Ų8497.3 Ų97.344%0.4449%0.493SS..Hα-helixtrans-70.1-39.8-179.4-153.7133.9000111S131 L132 Q138 V139S131-L135 VanDerWaalsContact O-CB 3.3Å; S131-L135 WeakPolarHBondContact O-CB 3.28Å; S131-L135 PolarHBondContact O-N 3.07Å; L132-L135 PolarHBondContact O-N 3.44Å; L135-Q138 PolarHBondContact O-N 3.42Å; L135-V139 HydrophobicContact CD2-CG2 4.47Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 2.77Å
136L62.2Low60.9Low70 Ų70106 Ų10637%0.36653%0.532SS..Hα-helixtrans-58-53.3168.2-73.5169.8000109.6L132 Q138 V139 W140L132-L136 WeakPolarHBondContact O-CB 3.45Å; L132-L136 WeakPolarHBondContact O-CG 3.27Å; L132-L136 PolarHBondContact O-N 2.98Å; L136-Q138 PolarHBondContact O-N 3.1Å; L136-V139 PolarHBondContact O-N 2.76Å; L136-W140 VanDerWaalsContact C-CD1 3.46Å; L136-W140 WeakPolarHBondContact O-CB 3.16Å; L136-W140 PolarHBondContact O-N 2.92Å
137Q64.8Low60Low134 Ų134105.3 Ų105.363%0.62653%0.533SS*.Hα-helixtrans-52.9-40.9177.6-78.6171.9-14.900112.6S133 R134 A141S133-Q137 WeakPolarHBondContact O-CB 2.84Å; S133-Q137 WeakPolarHBondContact O-CG 3.48Å; S133-Q137 PolarHBondContact O-N 2.88Å; R134-Q137 WeakPolarHBondContact O-CB 2.91Å; R134-Q137 PolarHBondContact O-N 2.89Å; Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.91Å
138Q65.3Low59.5Low95 Ų95107.2 Ų107.244%0.44454%0.541SS..Hα-helixtrans-66.3-42.8175.7-74.6178.5-32.400112.8R134 L135 L136 A141 K142R134-Q138 WeakPolarHBondContact O-CG 3.25Å; R134-Q138 PolarHBondContact O-N 3.23Å; L135-Q138 PolarHBondContact O-N 3.42Å; L136-Q138 PolarHBondContact O-N 3.1Å; Q138-A141 PolarHBondContact O-N 2.98Å; Q138-K142 PolarHBondContact O-N 3.23Å
139V63.9Low59.3Low49 Ų49109.7 Ų109.730%0.29755%0.549SS..Hα-helixtrans-64.8-44176.1172.30000110.8L135 L136 K142 R143L135-V139 HydrophobicContact CD2-CG2 4.47Å; L135-V139 WeakPolarHBondContact O-CG2 3.18Å; L135-V139 PolarHBondContact O-N 2.77Å; L136-V139 PolarHBondContact O-N 2.76Å; V139-K142 PolarHBondContact O-N 2.9Å; V139-R143 PolarHBondContact O-N 3.34Å
140W61Low59.3Low171 Ų171107.2 Ų107.265%0.64854%0.54SS*.Hα-helixtrans-63.6-44.1176-73.1108000111.5L136 K142 R143 A144L136-W140 VanDerWaalsContact C-CD1 3.46Å; L136-W140 WeakPolarHBondContact O-CB 3.16Å; L136-W140 PolarHBondContact O-N 2.92Å; W140-K142 VanDerWaalsContact C-N 3.35Å; W140-K142 PolarHBondContact O-N 3.27Å; W140-R143 PolarHBondContact O-N 2.87Å; W140-A144 WeakPolarHBondContact O-CB 3.33Å; W140-A144 PolarHBondContact O-N 3.17Å
141A67.6Low59.4Low56 Ų56109.2 Ų109.246%0.46354%0.544SS..Hα-helixtrans-63-39176.600000112.4Q137 Q138 A144 N145Q137-A141 WeakPolarHBondContact O-CB 3.46Å; Q137-A141 PolarHBondContact O-N 2.91Å; Q138-A141 PolarHBondContact O-N 2.98Å; A141-A144 PolarHBondContact O-N 3.1Å; A141-N145 PolarHBondContact O-N 2.82Å
142K61.5Low59.4Low136 Ų136113.2 Ų113.259%0.59156%0.558SS**Hα-helixtrans-68.2-38174-85.1-156.6174.1-163.50112.8Q138 V139 W140 N145Q138-K142 PolarHBondContact O-N 3.23Å; V139-K142 PolarHBondContact O-N 2.9Å; W140-K142 VanDerWaalsContact C-N 3.35Å; W140-K142 PolarHBondContact O-N 3.27Å; K142-N145 PolarHBondContact O-N 2.87Å
143R57Low59.7Low175 Ų175116.2 Ų116.266%0.6657%0.571SS**Hα-helixtrans-71.5-27.1176-78.6-173.2-175.5176.71.4113.7V139 W140 N145V139-R143 PolarHBondContact O-N 3.34Å; W140-R143 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact C-N 3.29Å
144A58Low60Low78 Ų78120.8 Ų120.865%0.64558%0.584SS**Hα-helixtrans-77.4-15.3177.300000113.4W140 A141W140-A144 WeakPolarHBondContact O-CB 3.33Å; W140-A144 PolarHBondContact O-N 3.17Å; A141-A144 PolarHBondContact O-N 3.1Å
145N52.5Low59.9Low152 Ų152118.8 Ų118.881%0.81359%0.587SS**THydrogen-bonded Turntrans-105.616.1178.9-82-8.6000113.2A141 K142 R143A141-N145 PolarHBondContact O-N 2.82Å; K142-N145 PolarHBondContact O-N 2.87Å; R143-N145 VanDerWaalsContact C-N 3.29Å
146Q43.7Very low59.8Low226 Ų226122 Ų122100%1.05660%0.601SS**  trans-119.70167.3-80.5-178.7-0.100108.9

Retrieved 146 of 146 residues in 99.1 ms (Link to these results)