A0A5K4FB06_SCHMA Loading...

AMPK1_CBM domain-containing protein

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A5K4FB06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 136 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
1M58.5Low72.5Confident226 Ų226148.5 Ų148.5100%1.11368%0.682SS**  0115.70-160.2-166.8-47.500106.4
2I64.8Low74Confident156 Ų156141.8 Ų141.880%0.865%0.654SS**PPolyproline II helixtrans-93.2120.8179.9-70.8162000107.2I4I2-I4 HydrophobicContact CG2-CG1 4.23Å
3E68.4Low74.9Confident99 Ų99140.8 Ų140.846%0.46364%0.643SS.*PPolyproline II helixtrans-88.5121.2172.2-67.6-165.615400109.3Y5 R86E3-Y5 HydrophobicContact CB-CE2 3.86Å; E3-Y5 PolarHBondContact OE2-OH 3.09Å; E3-R86 VanDerWaalsContact CD-NH2 3.3Å; E3-R86 IonicContact OE1-CZ 3.5Å; E3-R86 IonicContact OE1-NH1 2.84Å; E3-R86 PolarHBondContact OE1-NH1 3Å; E3-R86 IonicContact OE1-NH2 3.19Å; E3-R86 PolarHBondContact OE1-NH2 3.09Å; E3-R86 IonicContact OE2-CZ 3.74Å; E3-R86 IonicContact OE2-NH1 3.81Å; E3-R86 IonicContact OE2-NH2 2.81Å; E3-R86 PolarHBondContact OE2-NH2 3.19Å
4I74.1Confident75.7Confident146 Ų146135.1 Ų135.175%0.74962%0.62SS**PPolyproline II helixtrans-99.5123.5176.1-59.3170.7000107.8I2I2-I4 HydrophobicContact CG2-CG1 4.23Å
5Y70.5Confident76.4Confident138 Ų138132.2 Ų132.254%0.54160%0.602SS.*PPolyproline II helixtrans-102.5124.2175.1-68.2-93.2000109.4E3 R86E3-Y5 HydrophobicContact CB-CE2 3.86Å; E3-Y5 PolarHBondContact OE2-OH 3.09Å; Y5-R86 PolarHBondContact OH-NH2 3.07Å
6I72.1Confident76.9Confident121 Ų121126.9 Ų126.962%0.62159%0.589SS**PPolyproline II helixtrans-102.4116.1174.7-60.1170.7000107.4I8I6-I8 HydrophobicContact CG2-CG1 4.19Å
7Y72Confident77.1Confident180 Ų180126.2 Ų126.271%0.70659%0.586SS**PPolyproline II helixtrans-94.2122.3172-70.5-84.3000109.1
8I72.7Confident76.6Confident140 Ų140124.9 Ų124.972%0.71858%0.584SS**  trans-105.3118.4175.2-60.6169.5000107.1I6 I10I6-I8 HydrophobicContact CG2-CG1 4.19Å; I8-I10 HydrophobicContact CG2-CG1 4.2Å
9Y76.6Confident75.5Confident177 Ų177122.8 Ų122.869%0.69458%0.577SS**  trans-93.9123.5174.2-68.9-84.1000109.4
10I81.9Confident74.5Confident99 Ų99125.1 Ų125.151%0.50859%0.592SS.*  trans-112.2117.1175.2-56.2175.1000107.4I8 I12 F119I8-I10 HydrophobicContact CG2-CG1 4.2Å; I10-I12 HydrophobicContact CG2-CD1 4.24Å; I10-I12 HydrophobicContact CG2-CG1 4.01Å; I10-F119 HydrophobicContact CG2-CD1 4.47Å
11Y86.4Confident73.2Confident151 Ų151124.3 Ų124.359%0.59259%0.592SS**  trans-93.2137.9172.3-61.7-90.1000110.4G117 T118Y11-G117 CarbonylContact O-C 3.54Å; Y11-G117 WeakPolarHBondContact O-CA 3.19Å; Y11-T118 HydrophobicContact CD2-CG2 4Å; Y11-T118 HydrophobicContact CG-CG2 4.44Å; Y11-T118 PolarHBondContact N-OG1 2.78Å; Y11-T118 PolarHBondContact O-N 3.29Å; Y11-T118 PolarHBondContact O-OG1 3Å
12I90Very high72.5Confident68 Ų68119.8 Ų119.835%0.34957%0.572SS.*EExtended strand (participates in β ladder)trans-137.4138.7-174.5-59.6173.2000108.8I10 I14 F104 I115 S116I10-I12 HydrophobicContact CG2-CD1 4.24Å; I10-I12 HydrophobicContact CG2-CG1 4.01Å; I12-I14 HydrophobicContact CG2-CG1 4.3Å; I12-F104 HydrophobicContact CD1-CD1 3.84Å; I12-F104 HydrophobicContact CD1-CE1 3.3Å; I12-F104 HydrophobicContact CD1-CZ 4.06Å; I12-I115 HydrophobicContact CG2-CD1 3.63Å; I12-I115 HydrophobicContact CG2-CG1 3.49Å; I12-I115 VanDerWaalsContact CG2-CG1 3.49Å; I12-S116 CarbonylContact C-O 3.57Å; I12-S116 WeakPolarHBondContact CA-O 3.37Å
13Y85.5Confident71.6Confident130 Ų130118 Ų11851%0.5156%0.564SS.*EExtended strand (participates in β ladder)trans-120.9137.9169-160.3-83.8000109.7Y15 S116Y13-Y15 AromaticContact CD1-CD1 3.86Å; Y13-Y15 HydrophobicContact CD1-CD1 3.86Å; Y13-Y15 AromaticContact CD1-CD2 3.76Å; Y13-Y15 HydrophobicContact CD1-CD2 3.76Å; Y13-Y15 AromaticContact CD1-CE1 3.47Å; Y13-Y15 HydrophobicContact CD1-CE1 3.47Å; Y13-Y15 VanDerWaalsContact CD1-CE1 3.47Å; Y13-Y15 AromaticContact CD1-CE2 3.38Å; Y13-Y15 HydrophobicContact CD1-CE2 3.38Å; Y13-Y15 AromaticContact CD1-CG 3.98Å; Y13-Y15 HydrophobicContact CD1-CG 3.98Å; Y13-Y15 AromaticContact CD1-CZ 3.19Å; Y13-Y15 AromaticContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD2 4.3Å; Y13-Y15 AromaticContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE2 4.05Å; Y13-Y15 HydrophobicContact CE1-CG 4.06Å; Y13-Y15 AromaticContact CE1-CZ 3.48Å; Y13-Y15 VanDerWaalsContact CE1-CZ 3.48Å; Y13-Y15 HydrophobicContact CG-CE2 4.24Å; Y13-S116 PolarHBondContact N-O 3.36Å; Y13-S116 PolarHBondContact O-N 2.67Å; Y13-S116 VanDerWaalsContact O-N 3.08Å
14I86Confident70.2Confident61 Ų61121 Ų12131%0.31358%0.583SS.*EExtended strand (participates in β ladder)trans-115.9124.3179.9-58.2177.5000108.1I12 W106 I113 Y114I12-I14 HydrophobicContact CG2-CG1 4.3Å; I14-W106 HydrophobicContact CB-CZ3 4.43Å; I14-W106 HydrophobicContact CD1-CD2 4.42Å; I14-W106 HydrophobicContact CD1-CE3 3.45Å; I14-W106 VanDerWaalsContact CD1-CE3 3.45Å; I14-W106 HydrophobicContact CD1-CZ3 3.68Å; I14-W106 HydrophobicContact CG2-CD2 4.09Å; I14-W106 HydrophobicContact CG2-CE3 3.95Å; I14-W106 HydrophobicContact CG2-CH2 4.29Å; I14-W106 HydrophobicContact CG2-CZ2 4.43Å; I14-W106 HydrophobicContact CG2-CZ3 4.05Å; I14-I113 HydrophobicContact CG2-CG2 3.98Å; I14-Y114 WeakPolarHBondContact CA-O 3.38Å
15Y86.3Confident68.4Low91 Ų91125.3 Ų125.336%0.35759%0.59SS.*EExtended strand (participates in β ladder)trans-105.1117.5172.9-58-89.4000107.9Y13 I113 Y114 R125Y13-Y15 AromaticContact CD1-CD1 3.86Å; Y13-Y15 HydrophobicContact CD1-CD1 3.86Å; Y13-Y15 AromaticContact CD1-CD2 3.76Å; Y13-Y15 HydrophobicContact CD1-CD2 3.76Å; Y13-Y15 AromaticContact CD1-CE1 3.47Å; Y13-Y15 HydrophobicContact CD1-CE1 3.47Å; Y13-Y15 VanDerWaalsContact CD1-CE1 3.47Å; Y13-Y15 AromaticContact CD1-CE2 3.38Å; Y13-Y15 HydrophobicContact CD1-CE2 3.38Å; Y13-Y15 AromaticContact CD1-CG 3.98Å; Y13-Y15 HydrophobicContact CD1-CG 3.98Å; Y13-Y15 AromaticContact CD1-CZ 3.19Å; Y13-Y15 AromaticContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD1 3.53Å; Y13-Y15 HydrophobicContact CE1-CD2 4.3Å; Y13-Y15 AromaticContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE1 3.2Å; Y13-Y15 HydrophobicContact CE1-CE2 4.05Å; Y13-Y15 HydrophobicContact CE1-CG 4.06Å; Y13-Y15 AromaticContact CE1-CZ 3.48Å; Y13-Y15 VanDerWaalsContact CE1-CZ 3.48Å; Y13-Y15 HydrophobicContact CG-CE2 4.24Å; Y15-I113 CarbonylContact O-C 3.57Å; Y15-I113 VanDerWaalsContact O-CA 3.28Å; Y15-I113 WeakPolarHBondContact O-CA 3Å; Y15-Y114 PolarHBondContact N-O 3.18Å; Y15-Y114 PolarHBondContact O-N 3.44Å; Y15-R125 HydrophobicContact CD2-CG 4.46Å; Y15-R125 HydrophobicContact CE2-CG 4.43Å
16A85.1Confident66.6Low48 Ų48124.1 Ų124.140%0.39759%0.592SS.*EExtended strand (participates in β ladder)trans-115118.9171.700000108.1W106 I113A16-W106 HydrophobicContact CB-CZ2 4.36Å; A16-I113 HydrophobicContact CB-CG1 4.26Å
17H79.4Confident64.6Low115 Ų115126.8 Ų126.853%0.53260%0.596SS.*EExtended strand (participates in β ladder)trans-104.6113.7173.2-158.8-84.2000108.7K111 D112H17-K111 PolarHBondContact O-N 3.48Å; H17-K111 VanDerWaalsContact O-N 3.12Å; H17-D112 PolarHBondContact N-O 2.74Å; H17-D112 PolarHBondContact O-N 3.27Å
18D68.6Low63.1Low103 Ų103126.6 Ų126.655%0.55161%0.607SS**  trans-92.6121.1164.6-67.7-37.4000106.3L20 G110D18-L20 PolarHBondContact O-N 3.29Å; D18-G110 WeakPolarHBondContact OD1-CA 3.48Å; D18-G110 PolarHBondContact OD1-N 3.46Å
19N56.2Low61.5Low85 Ų85125.6 Ų125.646%0.45561%0.607SS.*  trans-7184.5176.6-160.5-41.9000107.8D21N19-D21 PolarHBondContact O-N 2.98Å; N19-D21 VanDerWaalsContact O-N 3.14Å
20L54.7Low59.5Low167 Ų167124.6 Ų124.687%0.87461%0.613SS**  trans-82.278.8168.9-168.876.1000107.1D18D18-L20 PolarHBondContact O-N 3.29Å
21D46.7Very low57.3Low110 Ų110125.9 Ų125.959%0.58863%0.628SS**  trans44.7103.1162.8-144.922.4000115.9N19 N23N19-D21 PolarHBondContact O-N 2.98Å; N19-D21 VanDerWaalsContact O-N 3.14Å; D21-N23 PolarHBondContact O-N 2.73Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD2-ND2 3.2Å
22D45.4Very low54.8Low131 Ų131123.6 Ų123.670%0.70163%0.634SS**THydrogen-bonded Turntrans-61.325174.4-76.1-45.8000114.9
23N44Very low52.2Low118 Ų118126.6 Ų126.663%0.63165%0.651SS**THydrogen-bonded Turntrans-97.14.3-175.3-71-34.7000115.1D21D21-N23 PolarHBondContact O-N 2.73Å; D21-N23 PolarHBondContact OD1-ND2 2.87Å; D21-N23 PolarHBondContact OD2-ND2 3.2Å
24N40.8Very low49.7Very low162 Ų162127.4 Ų127.487%0.86666%0.659SS**  trans-102.436.7176.1-10913.3000114.8L26N24-L26 PolarHBondContact O-N 3.49Å
25R36Very low46.9Very low237 Ų237130.6 Ų130.689%0.89468%0.682SS**  trans-78.881.1159.3-109-176164.6150.5-2.6109.9
26L31.2Very low44.2Very low112 Ų112133.5 Ų133.559%0.58670%0.702SS**  trans-137.6103.2165.4-84.3-34.4000111.2N24N24-L26 PolarHBondContact O-N 3.49Å
27Y31.1Very low41.5Very low177 Ų177137.5 Ų137.569%0.69472%0.721SS**  trans54.986.3155-15.5-78.7000117.8
28D40.4Very low39.1Very low176 Ų176136.9 Ų136.994%0.94173%0.73SS**  trans-105.585.3138.6-78.3-37.6000107.5L30D28-L30 PolarHBondContact O-N 3.14Å
29V39Very low37.2Very low119 Ų119137.8 Ų137.872%0.72174%0.74SS**  trans-63.3124.4171.1169.60000108.2P31V29-P31 WeakPolarHBondContact O-CD 3.47Å
30L34.6Very low35.9Very low156 Ų156139.8 Ų139.882%0.81776%0.755SS**  trans-44.3123.2164-79.3147.2000110.8D28 S32D28-L30 PolarHBondContact O-N 3.14Å; L30-S32 PolarHBondContact O-N 2.79Å; L30-S32 VanDerWaalsContact O-N 3.09Å
31P36.2Very low34.7Very low126 Ų126137.6 Ų137.682%0.81875%0.754SS**  trans-75.699.2158.3116.6000106.9V29 D33V29-P31 WeakPolarHBondContact O-CD 3.47Å; P31-D33 PolarHBondContact O-N 3.08Å
32S33.4Very low33.8Very low104 Ų104136.2 Ų136.273%0.72777%0.766SS**  trans-68.2108.5157.4161.90000106.9L30L30-S32 PolarHBondContact O-N 2.79Å; L30-S32 VanDerWaalsContact O-N 3.09Å
33D36.5Very low33.2Very low130 Ų130133.5 Ų133.570%0.69577%0.769SS**  trans-144.5107.3150.4-89.9-27.3000111.8P31P31-D33 PolarHBondContact O-N 3.08Å
34H31.4Very low32.6Very low147 Ų147136 Ų13668%0.68178%0.782SS**  trans1.7127.7145.562-71.1000118.3
35T28.8Very low32.4Very low129 Ų129137.7 Ų137.779%0.79179%0.785SS**  143.1121.8120-37.10000111.2
36I29.6Very low32.5Very low151 Ų151135.9 Ų135.977%0.77478%0.783SS**  trans-75.4138.8179.4-55.3161.5000109.4
37T28.4Very low33Very low132 Ų132137.2 Ų137.281%0.8179%0.789SS**  trans-172.3120.3137.3-70.40000110.1
38S29Very low33.4Very low103 Ų103134 Ų13472%0.7279%0.791SS**  trans-77.4143.4166.8-46.10000110.4
39T27.9Very low33Very low122 Ų122132.8 Ų132.875%0.74878%0.784SS**  trans176.6127.4134.435.50000113.3
40T28.1Very low32.9Very low127 Ų127136 Ų13678%0.77979%0.789SS**  trans68.1118.8136.761.10000122.7
41S29.2Very low33Very low120 Ų120136.3 Ų136.384%0.83979%0.79SS**  83.5115.8115.2-174.30000120.7
42G28.1Very low33.3Very low82 Ų82139 Ų13985%0.84579%0.792SS**  96.9129.9126.300000117.9
43G33.3Very low33.4Very low74 Ų74142.4 Ų142.476%0.76380%0.796SS**  trans148.1108.8159.400000114.8
44D30.9Very low33.2Very low170 Ų170147.4 Ų147.491%0.90981%0.805SS**  trans-76.3141.9-179.6-52.2-62.8000112.9
45E37.7Very low33.5Very low197 Ų197146.1 Ų146.192%0.92181%0.81SS**  trans-143.3140.6155.849-171.1160.300113.3
46K38.7Very low33.6Very low199 Ų199145.4 Ų145.487%0.86581%0.81SS**  trans-118.7120.6-147.6-163.8-177.1-170.6-176.30109.2
47I41.4Very low34.1Very low140 Ų140143.3 Ų143.372%0.71881%0.809SS**  trans19.1127.5152.8-45.4174.4000118.3
48P38.1Very low34.5Very low111 Ų111143.9 Ų143.972%0.72181%0.812SS**  trans-82.8120.2170.932.7-29.5000111.9F50P48-F50 PolarHBondContact O-N 3.27Å
49N33Very low35Very low149 Ų149142.3 Ų142.380%0.79781%0.812SS**  trans-84100.7167.5-82-19.2000110.1
50F37Very low35.6Very low187 Ų187142.5 Ų142.582%0.8282%0.815SS**  trans-112.873.5161.2-91.7-88.3000109.1P48P48-F50 PolarHBondContact O-N 3.27Å
51L35.9Very low36.1Very low163 Ų163144.8 Ų144.885%0.85382%0.822SS**  trans-11185.4159.6-71180000107
52Q42.1Very low36.1Very low182 Ų182144.6 Ų144.685%0.8582%0.82SS**PPolyproline II helixtrans-77.3126.4167.2-167.88957.800108.1
53E36.7Very low36.6Very low175 Ų175146.3 Ų146.382%0.81882%0.818SS**PPolyproline II helixtrans-64.6150.1-168.4-55.7-174.7144.200115
54R31.8Very low37Very low235 Ų235148.1 Ų148.189%0.88782%0.815SS**PPolyproline II helixtrans-84.2130.2174.4176.7-178.6-175.7160.31.5110.1
55P36.9Very low37.7Very low121 Ų121146.9 Ų146.979%0.78681%0.808SS**PPolyproline II helixtrans-80.8125.5167.3-7.424.1000111
56S31.6Very low37.9Very low113 Ų113144.2 Ų144.279%0.7980%0.796SS**PPolyproline II helixtrans-69.9135.2164.1570000111.2
57S41.1Very low37.7Very low107 Ų107145.8 Ų145.875%0.74880%0.796SS**  trans-168.3133.8150.4-150.50000113.2
58V36Very low38Very low145 Ų145145.6 Ų145.688%0.87980%0.795SS**  trans45.9123.5160-78.10000118.8
59G40Very low37.9Very low70 Ų70148.5 Ų148.572%0.72280%0.801SS**  cis144.6147.819.500000105.9
60P40.4Very low38Very low125 Ų125151 Ų15181%0.81280%0.801SS**  trans-102.6129.6-179.733.9-24.7000111.9
61L37.4Very low37.9Very low175 Ų175151.9 Ų151.992%0.91680%0.804SS**  trans-149.5118.9153.8-108.4123.6000110.6
62C31.1Very low38Very low117 Ų117151.6 Ų151.679%0.79180%0.799SS**  trans-65.7131.6169.2-177.80000109.4
63S38.1Very low37.7Very low117 Ų117147.9 Ų147.982%0.81879%0.792SS**  trans-147.8112.1159.4-169.60000109.2
64T41.3Very low37.7Very low113 Ų113147.4 Ų147.469%0.69379%0.79SS**  trans-65127.8166.4-58.90000109
65D45.7Very low37.9Very low144 Ų144140.9 Ų140.977%0.7778%0.779SS**  trans-151.1145.6140.8-138.9-19.4000111.2
66E40.8Very low38Very low141 Ų141143.8 Ų143.866%0.65978%0.782SS**  trans-100.7164.4-156.451.4-125.7176.100113.5
67R35.7Very low38.2Very low231 Ų231145.1 Ų145.187%0.87278%0.778SS**  trans71.576.9165.3-54.5-177.2-168.6-110.82.4117.8
68I46.5Very low38.1Very low137 Ų137146.3 Ų146.370%0.70378%0.775SS**  trans-130.790.9144.2-56.6-178.3000109.3Y70I68-Y70 VanDerWaalsContact O-CD2 3.29Å; I68-Y70 WeakPolarHBondContact O-CD2 3.29Å; I68-Y70 PolarHBondContact O-N 2.91Å
69M36.6Very low38.1Very low172 Ų172146.1 Ų146.185%0.84777%0.768SS**  42.750.6118.3-150.4-179.674.100117.9
70Y35.3Very low38Very low201 Ų201148.3 Ų148.379%0.78876%0.764SS**  trans-106.783.9152.8-62.7-75.9000109I68 H72I68-Y70 VanDerWaalsContact O-CD2 3.29Å; I68-Y70 WeakPolarHBondContact O-CD2 3.29Å; I68-Y70 PolarHBondContact O-N 2.91Å; Y70-H72 PolarHBondContact O-N 3Å
71K36Very low37.9Very low205 Ų205149 Ų14989%0.89176%0.761SS**  trans-66.780.4147-77.4-155.3178.2-170.60106.7S73K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 3.4Å
72H37Very low38.3Very low158 Ų158146 Ų14673%0.73175%0.749SS**  trans-69100.5158.7-142.170000104.6Y70 Q74Y70-H72 PolarHBondContact O-N 3Å; H72-Q74 PolarHBondContact O-N 3.12Å
73S35.1Very low39Very low103 Ų103144.8 Ų144.872%0.7274%0.742SS**  trans-4992.9159.4410000106.8K71 P75K71-S73 VanDerWaalsContact C-N 3.27Å; K71-S73 PolarHBondContact O-N 3.4Å; S73-P75 VanDerWaalsContact O-CD 3.23Å; S73-P75 WeakPolarHBondContact O-CD 3.44Å; S73-P75 VanDerWaalsContact O-N 3.12Å
74Q36.8Very low39.5Very low165 Ų165150.1 Ų150.177%0.77175%0.745SS**  trans-57.1119.2165.9-68.1-154.9-11.100104.9H72 Q76H72-Q74 PolarHBondContact O-N 3.12Å; Q74-Q76 PolarHBondContact O-N 3.48Å
75P37.6Very low39.8Very low99 Ų99152 Ų15264%0.64375%0.75SS**  trans-54.8121.4154.7-7.723.4000103.2S73 I77S73-P75 VanDerWaalsContact O-CD 3.23Å; S73-P75 WeakPolarHBondContact O-CD 3.44Å; S73-P75 VanDerWaalsContact O-N 3.12Å; P75-I77 HydrophobicContact CB-CG1 4.33Å; P75-I77 PolarHBondContact O-N 3.02Å
76Q37.8Very low40.5Very low182 Ų182152.1 Ų152.185%0.8574%0.74SS**  trans-64.684.8162.6-62.2-145.99.200104.8Q74 I78Q74-Q76 PolarHBondContact O-N 3.48Å; Q76-I78 PolarHBondContact O-N 3.36Å
77I36.6Very low41.4Very low141 Ų141149.3 Ų149.372%0.72374%0.741SS**  trans-60.1104.5161.6-57.6-174.5000101.2P75 L79P75-I77 HydrophobicContact CB-CG1 4.33Å; P75-I77 PolarHBondContact O-N 3.02Å; I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.19Å
78I38.2Very low42.7Very low131 Ų131149.1 Ų149.167%0.67274%0.74SS**  trans-42.9107170-62.6173000104.1Q76 N80Q76-I78 PolarHBondContact O-N 3.36Å; I78-N80 WeakPolarHBondContact CG2-OD1 3.27Å; I78-N80 PolarHBondContact O-N 2.82Å
79L36.7Very low43.4Very low142 Ų142148 Ų14874%0.74374%0.74SS**  trans-70.978.3172.2-156.684.3000103.1I77 N81I77-L79 VanDerWaalsContact C-N 3.29Å; I77-L79 PolarHBondContact O-N 3.19Å; L79-N81 WeakPolarHBondContact CD2-OD1 3.37Å; L79-N81 PolarHBondContact O-N 2.88Å
80N38Very low44.5Very low116 Ų116144.1 Ų144.162%0.6272%0.722SS**  trans-54.6101.1153.3-67.5-17.4000101.9I78 T82I78-N80 WeakPolarHBondContact CG2-OD1 3.27Å; I78-N80 PolarHBondContact O-N 2.82Å; N80-T82 HydrophobicContact CB-CG2 4.46Å; N80-T82 PolarHBondContact O-N 2.84Å
81N37.4Very low45.5Very low140 Ų140138 Ų13875%0.74971%0.707SS**  trans-60.860.3162.3-86.4-10.8000107.4L79 S83L79-N81 WeakPolarHBondContact CD2-OD1 3.37Å; L79-N81 PolarHBondContact O-N 2.88Å; N81-S83 PolarHBondContact O-N 2.71Å; N81-S83 VanDerWaalsContact O-N 3.08Å
82T45.3Very low46.5Very low110 Ų110134.3 Ų134.368%0.67570%0.701SS**  trans-77.474.9145.457.70000103.4N80 R84N80-T82 HydrophobicContact CB-CG2 4.46Å; N80-T82 PolarHBondContact O-N 2.84Å; T82-R84 PolarHBondContact O-N 2.97Å
83S45.8Very low47.2Very low93 Ų93136.7 Ų136.765%0.6570%0.704SS**  trans-45.8101.7146169.10000103.4N81 D85N81-S83 PolarHBondContact O-N 2.71Å; N81-S83 VanDerWaalsContact O-N 3.08Å; S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 PolarHBondContact O-N 2.9Å
84R49.3Very low48.1Very low229 Ų229140.2 Ų140.286%0.86471%0.706SS**  trans-55.1109.3172.7-75.9-165-105.6170.2-6.7102.6T82 R86T82-R84 PolarHBondContact O-N 2.97Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.07Å
85D48Very low49.2Very low151 Ų151137.1 Ų137.181%0.80770%0.695SS**  trans-49.4103.9178.3-80.8-40.2000105.3S83 A87S83-D85 VanDerWaalsContact C-N 3.27Å; S83-D85 PolarHBondContact O-N 2.9Å; D85-A87 PolarHBondContact O-N 3.13Å
86R59.5Low50.2Low148 Ų148138.2 Ų138.256%0.55870%0.699SS**  trans-56.1119.9-175.6-176.6-176.2-174.1-167.85.2103.7E3 Y5 R84 R88E3-R86 VanDerWaalsContact CD-NH2 3.3Å; E3-R86 IonicContact OE1-CZ 3.5Å; E3-R86 IonicContact OE1-NH1 2.84Å; E3-R86 PolarHBondContact OE1-NH1 3Å; E3-R86 IonicContact OE1-NH2 3.19Å; E3-R86 PolarHBondContact OE1-NH2 3.09Å; E3-R86 IonicContact OE2-CZ 3.74Å; E3-R86 IonicContact OE2-NH1 3.81Å; E3-R86 IonicContact OE2-NH2 2.81Å; E3-R86 PolarHBondContact OE2-NH2 3.19Å; Y5-R86 PolarHBondContact OH-NH2 3.07Å; R84-R86 VanDerWaalsContact C-N 3.26Å; R84-R86 PolarHBondContact O-N 3.07Å; R86-R88 PolarHBondContact O-N 2.96Å
87A59.3Low51.6Low82 Ų82132.6 Ų132.668%0.67869%0.69SS**  trans-45.8120.7-175.200000108.2D85 T89D85-A87 PolarHBondContact O-N 3.13Å; A87-T89 VanDerWaalsContact C-N 3.35Å; A87-T89 PolarHBondContact O-N 3.38Å
88R63.2Low53.4Low227 Ų227130.1 Ų130.186%0.85768%0.678SS**  trans-56.6100.2-175.6176.3179.4158.3-151.1-4.4108R86 L90R86-R88 PolarHBondContact O-N 2.96Å; R88-L90 PolarHBondContact O-N 3.44Å
89T61.8Low55.4Low113 Ų113133.5 Ų133.569%0.69369%0.687SS**PPolyproline II helixtrans-70.4120.7176.534.10000107.3A87A87-T89 VanDerWaalsContact C-N 3.35Å; A87-T89 PolarHBondContact O-N 3.38Å
90L60.6Low57.7Low90 Ų90132.2 Ų132.247%0.47168%0.681SS.*PPolyproline II helixtrans-57131.5172.3-77157.5000107.7R88 T92 L98R88-L90 PolarHBondContact O-N 3.44Å; L90-T92 PolarHBondContact O-N 3.48Å; L90-L98 HydrophobicContact CD1-CD1 4.41Å; L90-L98 HydrophobicContact CD1-CD2 4.27Å
91P56.1Low60.1Low74 Ų74132.9 Ų132.948%0.48169%0.691SS.*PPolyproline II helixtrans-55.4138176.522.5-30.9000108.4R93P91-R93 HydrophobicContact CB-CG 4.49Å; P91-R93 PolarHBondContact O-N 2.83Å
92T57.5Low62.6Low126 Ų126130.8 Ų130.877%0.77368%0.684SS**SBendtrans-6129.9-171.5-35.40000115.1L90 K94L90-T92 PolarHBondContact O-N 3.48Å; T92-K94 PolarHBondContact O-N 3.08Å
93R51.5Low64.7Low208 Ų208131.4 Ų131.479%0.78569%0.687SS**SBendtrans-77.6103176.5-59.2-175.1-177.81340.9107.1P91P91-R93 HydrophobicContact CB-CG 4.49Å; P91-R93 PolarHBondContact O-N 2.83Å
94K53.6Low66.7Low177 Ų177131.2 Ų131.277%0.7768%0.675SS**  trans32.295.8174.7-94.7-177.8173177.80112.9T92 V96T92-K94 PolarHBondContact O-N 3.08Å; K94-V96 HydrophobicContact CB-CB 4.47Å; K94-V96 HydrophobicContact CB-CG2 4.09Å; K94-V96 HydrophobicContact CD-CG2 4.29Å; K94-V96 HydrophobicContact CG-CG2 4.05Å; K94-V96 PolarHBondContact O-N 3.19Å
95L59.7Low68.5Low101 Ų101129.9 Ų129.953%0.52967%0.67SS.*  trans-66.530.7166.8-48.9178.9000112.2G97 L98L95-G97 PolarHBondContact O-N 3.3Å; L95-L98 HydrophobicContact CB-CD1 4.25Å; L95-L98 HydrophobicContact CD2-CD1 3.31Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L95-L98 HydrophobicContact CG-CD1 4.33Å
96V59.5Low70.3Confident122 Ų122127.4 Ų127.474%0.73965%0.649SS**SBendtrans-86.7100.3175.3-173.20000105.7K94K94-V96 HydrophobicContact CB-CB 4.47Å; K94-V96 HydrophobicContact CB-CG2 4.09Å; K94-V96 HydrophobicContact CD-CG2 4.29Å; K94-V96 HydrophobicContact CG-CG2 4.05Å; K94-V96 PolarHBondContact O-N 3.19Å
97G67Low71.5Confident63 Ų63127 Ų12765%0.64966%0.658SS**SBendtrans96.719.6174.600000116.2L95 K99L95-G97 PolarHBondContact O-N 3.3Å; G97-K99 VanDerWaalsContact C-N 3.28Å; G97-K99 PolarHBondContact O-N 3.34Å
98L74Confident72.7Confident90 Ų90124.9 Ų124.947%0.47165%0.645SS.*  trans-68.789.5168-68.2-175.1000110.1L90 L95 L100L90-L98 HydrophobicContact CD1-CD1 4.41Å; L90-L98 HydrophobicContact CD1-CD2 4.27Å; L95-L98 HydrophobicContact CB-CD1 4.25Å; L95-L98 HydrophobicContact CD2-CD1 3.31Å; L95-L98 HydrophobicContact CD2-CG 4.36Å; L95-L98 HydrophobicContact CG-CD1 4.33Å; L98-L100 PolarHBondContact O-N 3.29Å
99K80Confident73.5Confident201 Ų201116.8 Ų116.887%0.87463%0.631SS**  trans-89.294.7168.5-68.3-177.5178.9-179.40107.9G97G97-K99 VanDerWaalsContact C-N 3.28Å; G97-K99 PolarHBondContact O-N 3.34Å
100L84.2Confident74.4Confident116 Ų116112 Ų11261%0.60761%0.605SS**  trans-93.4129.9173.8-64174.9000109.1L98 T102L98-L100 PolarHBondContact O-N 3.29Å; L100-T102 PolarHBondContact O-N 3.02Å; L100-T102 PolarHBondContact O-OG1 2.95Å
101P88.7Confident75.5Confident129 Ų129113.5 Ų113.584%0.83861%0.608SS**  trans-61.9127.4174.526.6-32.7000109.1
102T89.4Confident77Confident96 Ų96112.6 Ų112.659%0.58960%0.599SS**  trans-126.8128.1176.7-57.30000107.4L100 F104L100-T102 PolarHBondContact O-N 3.02Å; L100-T102 PolarHBondContact O-OG1 2.95Å; T102-F104 HydrophobicContact CG2-CE1 4.19Å; T102-F104 HydrophobicContact CG2-CE2 4.31Å; T102-F104 HydrophobicContact CG2-CZ 3.92Å
103V89.3Confident78.6Confident124 Ų124107 Ų10775%0.75256%0.564SS**  trans-104.7125.9-179.2-1800000108.7R105V103-R105 HydrophobicContact CG1-CG 4.08Å
104F88.4Confident80.5Confident88 Ų88101.1 Ų101.139%0.38654%0.542SS..  trans-98.7124.6170.6-60.1-73.2000108.9I12 T102 I115I12-F104 HydrophobicContact CD1-CD1 3.84Å; I12-F104 HydrophobicContact CD1-CE1 3.3Å; I12-F104 HydrophobicContact CD1-CZ 4.06Å; T102-F104 HydrophobicContact CG2-CE1 4.19Å; T102-F104 HydrophobicContact CG2-CE2 4.31Å; T102-F104 HydrophobicContact CG2-CZ 3.92Å; F104-I115 HydrophobicContact CB-CD1 3.84Å; F104-I115 HydrophobicContact CD1-CD1 3.81Å; F104-I115 HydrophobicContact CD2-CD1 3.7Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; F104-I115 HydrophobicContact CE2-CD1 4.19Å; F104-I115 HydrophobicContact CG-CD1 3.48Å; F104-I115 VanDerWaalsContact CG-CD1 3.48Å; F104-I115 HydrophobicContact CZ-CD1 4.48Å
105R88.4Confident82.4Confident201 Ų20193.2 Ų93.276%0.75851%0.508SS*.  trans-112.1129.3176.8-64.6-175.865.2-149.4-2.7109.2V103V103-R105 HydrophobicContact CG1-CG 4.08Å
106W85.8Confident84Confident99 Ų9988.6 Ų88.638%0.37549%0.485SS..  trans-110.5125.4170.9176.9-107.4000108.6I14 A16 G108 G109 I113 I128I14-W106 HydrophobicContact CB-CZ3 4.43Å; I14-W106 HydrophobicContact CD1-CD2 4.42Å; I14-W106 HydrophobicContact CD1-CE3 3.45Å; I14-W106 VanDerWaalsContact CD1-CE3 3.45Å; I14-W106 HydrophobicContact CD1-CZ3 3.68Å; I14-W106 HydrophobicContact CG2-CD2 4.09Å; I14-W106 HydrophobicContact CG2-CE3 3.95Å; I14-W106 HydrophobicContact CG2-CH2 4.29Å; I14-W106 HydrophobicContact CG2-CZ2 4.43Å; I14-W106 HydrophobicContact CG2-CZ3 4.05Å; A16-W106 HydrophobicContact CB-CZ2 4.36Å; W106-G108 VanDerWaalsContact CD1-O 3.31Å; W106-G108 VanDerWaalsContact NE1-C 3.32Å; W106-G108 VanDerWaalsContact NE1-CA 3.34Å; W106-G108 PolarHBondContact NE1-O 3.34Å; W106-G109 PolarHBondContact NE1-O 2.84Å; W106-I113 HydrophobicContact CG-CD1 4.37Å; W106-I113 HydrophobicContact CG-CG2 4.28Å; W106-I128 HydrophobicContact CB-CD1 4.01Å
107N84.5Confident85.6Confident140 Ų14082.8 Ų82.875%0.74945%0.449SS*.  trans-104.54-179.1-62.6-23.7000112.5
108G83.9Confident86.7Confident38 Ų3882.6 Ų82.639%0.39244%0.435SS..SBendtrans-85.9171.1177.500000112.4W106W106-G108 VanDerWaalsContact CD1-O 3.31Å; W106-G108 VanDerWaalsContact NE1-C 3.32Å; W106-G108 VanDerWaalsContact NE1-CA 3.34Å; W106-G108 PolarHBondContact NE1-O 3.34Å
109G79.9Confident87.5Confident56 Ų5682.6 Ų82.658%0.57743%0.432SS*.  trans-69.4-177.8162.900000111.8W106W106-G109 PolarHBondContact NE1-O 2.84Å
110G80.8Confident87.9Confident13 Ų1374.5 Ų74.513%0.13440%0.398CS..  trans136.5121.8-172.800000109.7D18 I130D18-G110 WeakPolarHBondContact OD1-CA 3.48Å; D18-G110 PolarHBondContact OD1-N 3.46Å; G110-I130 WeakPolarHBondContact O-CD1 3.23Å
111K82.8Confident88.3Confident122 Ų12274.6 Ų74.653%0.5340%0.399SS..SBendtrans-72.1-45.2168.3179.2-172159.7-66.50110.2H17 I130H17-K111 PolarHBondContact O-N 3.48Å; H17-K111 VanDerWaalsContact O-N 3.12Å; K111-I130 VanDerWaalsContact O-CD1 3.29Å; K111-I130 WeakPolarHBondContact O-CD1 3.32Å
112D88.1Confident88.4Confident55 Ų5574.1 Ų74.129%0.29438%0.381SS..EExtended strand (participates in β ladder)trans-123110.7-179.3-54.9-51000108.3H17 Y114H17-D112 PolarHBondContact N-O 2.74Å; H17-D112 PolarHBondContact O-N 3.27Å; D112-Y114 HydrophobicContact CB-CE2 3.84Å
113I90.8Very high88.7Confident8 Ų876.5 Ų76.54%0.04139%0.385CS..EExtended strand (participates in β ladder)trans-116.7131.6-176.9-60.4155.3000109.8I14 Y15 A16 W106 P127 I128 I130I14-I113 HydrophobicContact CG2-CG2 3.98Å; Y15-I113 CarbonylContact O-C 3.57Å; Y15-I113 VanDerWaalsContact O-CA 3.28Å; Y15-I113 WeakPolarHBondContact O-CA 3Å; A16-I113 HydrophobicContact CB-CG1 4.26Å; W106-I113 HydrophobicContact CG-CD1 4.37Å; W106-I113 HydrophobicContact CG-CG2 4.28Å; I113-P127 CarbonylContact O-C 3.56Å; I113-P127 WeakPolarHBondContact O-CA 3.36Å; I113-I128 HydrophobicContact CB-CB 4.18Å; I113-I128 HydrophobicContact CG2-CB 3.93Å; I113-I128 HydrophobicContact CG2-CD1 3.79Å; I113-I128 HydrophobicContact CG2-CG1 4.07Å; I113-I128 PolarHBondContact O-N 2.78Å; I113-I130 HydrophobicContact CD1-CD1 3.95Å; I113-I130 HydrophobicContact CD1-CG1 3.81Å
114Y92.3Very high88.8Confident85 Ų8577.2 Ų77.233%0.33338%0.378SS..EExtended strand (participates in β ladder)trans-129.1142.6179.5-57-93.6000111.8I14 Y15 D112 R125 I126 P127I14-Y114 WeakPolarHBondContact CA-O 3.38Å; Y15-Y114 PolarHBondContact N-O 3.18Å; Y15-Y114 PolarHBondContact O-N 3.44Å; D112-Y114 HydrophobicContact CB-CE2 3.84Å; Y114-R125 HydrophobicContact CD1-CB 3.89Å; Y114-R125 HydrophobicContact CG-CB 4.18Å; Y114-I126 CarbonylContact C-O 3.55Å; Y114-I126 VanDerWaalsContact CA-O 3.32Å; Y114-I126 WeakPolarHBondContact CA-O 3.1Å; Y114-P127 HydrophobicContact CD1-CB 4.15Å; Y114-P127 HydrophobicContact CE1-CB 4.07Å
115I92.8Very high89Confident10 Ų1080.7 Ų80.75%0.05139%0.389CS..EExtended strand (participates in β ladder)trans-110.1134.4170.6-168.3174.5000110.4I12 F104 F119 I126 I128I12-I115 HydrophobicContact CG2-CD1 3.63Å; I12-I115 HydrophobicContact CG2-CG1 3.49Å; I12-I115 VanDerWaalsContact CG2-CG1 3.49Å; F104-I115 HydrophobicContact CB-CD1 3.84Å; F104-I115 HydrophobicContact CD1-CD1 3.81Å; F104-I115 HydrophobicContact CD2-CD1 3.7Å; F104-I115 HydrophobicContact CE1-CD1 4.32Å; F104-I115 HydrophobicContact CE2-CD1 4.19Å; F104-I115 HydrophobicContact CG-CD1 3.48Å; F104-I115 VanDerWaalsContact CG-CD1 3.48Å; F104-I115 HydrophobicContact CZ-CD1 4.48Å; I115-F119 HydrophobicContact CD1-CE1 4.43Å; I115-F119 HydrophobicContact CG1-CE1 4.38Å; I115-F119 HydrophobicContact CG1-CZ 4.35Å; I115-I126 HydrophobicContact CG2-CB 3.76Å; I115-I126 HydrophobicContact CG2-CG2 4.28Å; I115-I126 WeakPolarHBondContact CG2-O 3.15Å; I115-I126 PolarHBondContact N-O 2.71Å; I115-I126 PolarHBondContact O-N 2.79Å; I115-I128 HydrophobicContact CB-CD1 4.28Å; I115-I128 HydrophobicContact CB-CG1 4.36Å; I115-I128 HydrophobicContact CG2-CG1 4.31Å
116S93.5Very high89.2Confident5 Ų574.7 Ų74.74%0.03537%0.371CS..EExtended strand (participates in β ladder)trans-134.7151.7169.6-66.80000109.2I12 Y13 K124 R125I12-S116 CarbonylContact C-O 3.57Å; I12-S116 WeakPolarHBondContact CA-O 3.37Å; Y13-S116 PolarHBondContact N-O 3.36Å; Y13-S116 PolarHBondContact O-N 2.67Å; Y13-S116 VanDerWaalsContact O-N 3.08Å; S116-K124 WeakPolarHBondContact CB-O 3.02Å; S116-K124 PolarHBondContact OG-O 2.65Å; S116-R125 WeakPolarHBondContact OG-CA 3.49Å; S116-R125 WeakPolarHBondContact OG-CG 3.38Å
117G93.1Very high89.4Confident0 Ų074.2 Ų74.20%038%0.381CS..EExtended strand (participates in β ladder)trans-167.9-174-178.900000114.6Y11 F119 N121 W122Y11-G117 CarbonylContact O-C 3.54Å; Y11-G117 WeakPolarHBondContact O-CA 3.19Å; G117-F119 PolarHBondContact O-N 2.97Å; G117-N121 PolarHBondContact O-N 2.75Å; G117-W122 VanDerWaalsContact CA-CZ3 3.48Å; G117-W122 PolarHBondContact O-N 2.68Å
118T91.1Very high89.7Confident58 Ų5869.3 Ų69.336%0.35635%0.354SS..G310 helixtrans-68.6-15.2174.8440000114.1Y11 D120 N121 W122Y11-T118 HydrophobicContact CD2-CG2 4Å; Y11-T118 HydrophobicContact CG-CG2 4.44Å; Y11-T118 PolarHBondContact N-OG1 2.78Å; Y11-T118 PolarHBondContact O-N 3.29Å; Y11-T118 PolarHBondContact O-OG1 3Å; T118-D120 PolarHBondContact O-N 2.7Å; T118-N121 PolarHBondContact O-N 3.08Å; T118-W122 HydrophobicContact CG2-CZ2 3.84Å
119F89.4Confident89.7Confident90 Ų9073.5 Ų73.540%0.39537%0.372SS..G310 helixtrans-67.3-20.9179.355.2-101.9000113.4I10 I115 G117 I126I10-F119 HydrophobicContact CG2-CD1 4.47Å; I115-F119 HydrophobicContact CD1-CE1 4.43Å; I115-F119 HydrophobicContact CG1-CE1 4.38Å; I115-F119 HydrophobicContact CG1-CZ 4.35Å; G117-F119 PolarHBondContact O-N 2.97Å; F119-I126 HydrophobicContact CE2-CD1 3.67Å; F119-I126 HydrophobicContact CZ-CD1 4.22Å
120D89.1Confident89.6Confident31 Ų3174.6 Ų74.617%0.16636%0.364CS..G310 helixtrans-132.224.6176.272-22.9000112.2T118 W122 E123 K124T118-D120 PolarHBondContact O-N 2.7Å; D120-W122 PolarHBondContact O-N 2.81Å; D120-W122 VanDerWaalsContact O-N 3.13Å; D120-W122 PolarHBondContact OD1-N 3.19Å; D120-E123 WeakPolarHBondContact O-CB 3.49Å; D120-E123 WeakPolarHBondContact O-CG 3.41Å; D120-E123 PolarHBondContact O-N 2.8Å; D120-E123 VanDerWaalsContact O-N 3.07Å; D120-K124 WeakPolarHBondContact OD2-CA 3.5Å; D120-K124 VanDerWaalsContact OD2-CB 3.27Å; D120-K124 WeakPolarHBondContact OD2-CB 3.28Å; D120-K124 PolarHBondContact OD2-N 2.79Å; D120-K124 VanDerWaalsContact OD2-N 3.09Å
121N91.8Very high89.2Confident118 Ų11882.3 Ų82.363%0.63140%0.396SS*.THydrogen-bonded Turntrans5333.7-179.7-158.452.6000113.8G117 T118 E123G117-N121 PolarHBondContact O-N 2.75Å; T118-N121 PolarHBondContact O-N 3.08Å; N121-E123 HydrophobicContact CB-CG 4.45Å; N121-E123 PolarHBondContact O-N 2.84Å
122W92.4Very high88.2Confident119 Ų11982 Ų8245%0.45141%0.405SS..THydrogen-bonded Turntrans62.915-179.1-45.698.3000114.9G117 T118 D120G117-W122 VanDerWaalsContact CA-CZ3 3.48Å; G117-W122 PolarHBondContact O-N 2.68Å; T118-W122 HydrophobicContact CG2-CZ2 3.84Å; D120-W122 PolarHBondContact O-N 2.81Å; D120-W122 VanDerWaalsContact O-N 3.13Å; D120-W122 PolarHBondContact OD1-N 3.19Å
123E94Very high86.9Confident147 Ų14786.6 Ų86.669%0.68742%0.424SS*.  trans-74.1-32.4-174.4-68.7-178.9179.600112.8D120 N121D120-E123 WeakPolarHBondContact O-CB 3.49Å; D120-E123 WeakPolarHBondContact O-CG 3.41Å; D120-E123 PolarHBondContact O-N 2.8Å; D120-E123 VanDerWaalsContact O-N 3.07Å; N121-E123 HydrophobicContact CB-CG 4.45Å; N121-E123 PolarHBondContact O-N 2.84Å
124K92.3Very high85.1Confident138 Ų13894.2 Ų94.260%0.646%0.46SS*.  trans-122.9149.8-174.5-54.6176.2-176.3173.40111.6S116 D120S116-K124 WeakPolarHBondContact CB-O 3.02Å; S116-K124 PolarHBondContact OG-O 2.65Å; D120-K124 WeakPolarHBondContact OD2-CA 3.5Å; D120-K124 VanDerWaalsContact OD2-CB 3.27Å; D120-K124 WeakPolarHBondContact OD2-CB 3.28Å; D120-K124 PolarHBondContact OD2-N 2.79Å; D120-K124 VanDerWaalsContact OD2-N 3.09Å
125R92Very high83.2Confident161 Ų16198.8 Ų98.861%0.60848%0.482SS*.  trans-102.4106.4164.9-84.2-172.4-83.3-135.32.8107.5Y15 Y114 S116Y15-R125 HydrophobicContact CD2-CG 4.46Å; Y15-R125 HydrophobicContact CE2-CG 4.43Å; Y114-R125 HydrophobicContact CD1-CB 3.89Å; Y114-R125 HydrophobicContact CG-CB 4.18Å; S116-R125 WeakPolarHBondContact OG-CA 3.49Å; S116-R125 WeakPolarHBondContact OG-CG 3.38Å
126I92.4Very high81.6Confident76 Ų76110 Ų11039%0.3954%0.537SS..EExtended strand (participates in β ladder)trans-87.4121.1179.6-57.5173.1000107.5Y114 I115 F119Y114-I126 CarbonylContact C-O 3.55Å; Y114-I126 VanDerWaalsContact CA-O 3.32Å; Y114-I126 WeakPolarHBondContact CA-O 3.1Å; I115-I126 HydrophobicContact CG2-CB 3.76Å; I115-I126 HydrophobicContact CG2-CG2 4.28Å; I115-I126 WeakPolarHBondContact CG2-O 3.15Å; I115-I126 PolarHBondContact N-O 2.71Å; I115-I126 PolarHBondContact O-N 2.79Å; F119-I126 HydrophobicContact CE2-CD1 3.67Å; F119-I126 HydrophobicContact CZ-CD1 4.22Å
127P91.3Very high81Confident89 Ų89115.3 Ų115.358%0.57856%0.562SS**EExtended strand (participates in β ladder)trans-67.9135.5177.726.6-32.4000111I113 Y114I113-P127 CarbonylContact O-C 3.56Å; I113-P127 WeakPolarHBondContact O-CA 3.36Å; Y114-P127 HydrophobicContact CD1-CB 4.15Å; Y114-P127 HydrophobicContact CE1-CB 4.07Å
128I90.2Very high80.3Confident36 Ų36121.4 Ų121.419%0.18559%0.592CS.*PPolyproline II helixtrans-85.9127.5170.1-64.4-173.4000108W106 I113 I115 I130W106-I128 HydrophobicContact CB-CD1 4.01Å; I113-I128 HydrophobicContact CB-CB 4.18Å; I113-I128 HydrophobicContact CG2-CB 3.93Å; I113-I128 HydrophobicContact CG2-CD1 3.79Å; I113-I128 HydrophobicContact CG2-CG1 4.07Å; I113-I128 PolarHBondContact O-N 2.78Å; I115-I128 HydrophobicContact CB-CD1 4.28Å; I115-I128 HydrophobicContact CB-CG1 4.36Å; I115-I128 HydrophobicContact CG2-CG1 4.31Å; I128-I130 PolarHBondContact O-N 2.89Å
129V84.4Confident79.7Confident127 Ų127124.9 Ų124.977%0.7761%0.605SS**PPolyproline II helixtrans-72.3120.6172.3179.70000108.4E131V129-E131 PolarHBondContact O-N 3.04Å
130I77.9Confident79.2Confident78 Ų78126.9 Ų126.940%0.462%0.617SS.*  trans-84.3110.5171.1-54.9159.3000106.1G110 K111 I113 I128 T132G110-I130 WeakPolarHBondContact O-CD1 3.23Å; K111-I130 VanDerWaalsContact O-CD1 3.29Å; K111-I130 WeakPolarHBondContact O-CD1 3.32Å; I113-I130 HydrophobicContact CD1-CD1 3.95Å; I113-I130 HydrophobicContact CD1-CG1 3.81Å; I128-I130 PolarHBondContact O-N 2.89Å; I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 HydrophobicContact CG2-CG2 4.43Å; I130-T132 PolarHBondContact O-N 2.68Å
131E71.6Confident78.5Confident175 Ų175132.9 Ų132.982%0.81865%0.646SS**  trans-74.391167.4-73.5-175.917800108.1V129 Q133V129-E131 PolarHBondContact O-N 3.04Å; E131-Q133 PolarHBondContact O-N 2.76Å
132T62.7Low77.7Confident116 Ų116133.9 Ų133.971%0.71265%0.647SS**  trans-70.9106.3160.4330000107.4I130 E134I130-T132 VanDerWaalsContact C-N 3.31Å; I130-T132 HydrophobicContact CG2-CG2 4.43Å; I130-T132 PolarHBondContact O-N 2.68Å; T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 PolarHBondContact O-N 3.03Å
133Q59.4Low76.6Confident151 Ų151135 Ų13571%0.70666%0.661SS**  trans-68.291.2171.3-155127.452.800107.6E131 F135E131-Q133 PolarHBondContact O-N 2.76Å; Q133-F135 HydrophobicContact CB-CE2 4.07Å; Q133-F135 HydrophobicContact CG-CD2 4.46Å; Q133-F135 HydrophobicContact CG-CE1 4.5Å; Q133-F135 HydrophobicContact CG-CE2 3.97Å; Q133-F135 HydrophobicContact CG-CZ 3.99Å; Q133-F135 WeakPolarHBondContact O-CD2 3.29Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-F135 VanDerWaalsContact O-N 3.08Å
134E52.7Low75.3Confident168 Ų168134.1 Ų134.179%0.78566%0.658SS**  trans-67.9104.3166.1-78.8-152.8161.600107.5T132 M136T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 PolarHBondContact O-N 3.03Å; E134-M136 PolarHBondContact O-N 2.9Å
135F53.9Low73.9Confident181 Ų181133.8 Ų133.879%0.79466%0.663SS**  trans-73.3108166.5-70.4-86000107.6Q133Q133-F135 HydrophobicContact CB-CE2 4.07Å; Q133-F135 HydrophobicContact CG-CD2 4.46Å; Q133-F135 HydrophobicContact CG-CE1 4.5Å; Q133-F135 HydrophobicContact CG-CE2 3.97Å; Q133-F135 HydrophobicContact CG-CZ 3.99Å; Q133-F135 WeakPolarHBondContact O-CD2 3.29Å; Q133-F135 PolarHBondContact O-N 2.96Å; Q133-F135 VanDerWaalsContact O-N 3.08Å
136M58Low72.2Confident247 Ų247131.3 Ų131.3100%1.21767%0.668SS**  trans-72.50164-75.5-177.1-166.300111.5E134E134-M136 PolarHBondContact O-N 2.9Å

Retrieved 136 of 136 residues in 98.5 ms (Link to these results)