A0A3Q0KLM0_SCHMA Loading...

39S ribosomal protein L55, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KLM0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 113 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.3Very low54.3Low248 Ų248154.3 Ų154.3100%1.22282%0.815SS**  0101.30-81.1168.5143.800106
2I55.3Low54.1Low167 Ų167154.1 Ų154.186%0.85682%0.815SS**  cis-136.9151.925.5-76.3157.9000107.1
3P52.5Low54.3Low112 Ų112151.2 Ų151.273%0.72781%0.806SS**  trans-91.9144.9-147.8-2.121.6000115.7A5P3-A5 PolarHBondContact O-N 3.36Å
4W55.5Low54Low268 Ų268153.5 Ų153.5100%1.01581%0.806SS**  trans-63.8104156.9-73.1-32.5000110.5
5A58.6Low54.1Low81 Ų81149.7 Ų149.767%0.66979%0.794SS**  trans-169.3154.7157.600000109.9P3P3-A5 PolarHBondContact O-N 3.36Å
6S60Low54.1Low120 Ų120149.3 Ų149.384%0.83979%0.792SS**  trans73.7121.1-174.276.80000112.1
7F49.4Very low54Low181 Ų181149.9 Ų149.979%0.79479%0.794SS**  cis-165.486.743.1-178.6-106.9000107.9S9F7-S9 PolarHBondContact O-N 3.17Å
8L53.7Low54.3Low172 Ų172150.7 Ų150.790%0.90179%0.79SS**  trans-78.978.9163-83.7165.2000107.7K10L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 3.18Å
9S58Low54.5Low72 Ų72147.8 Ų147.850%0.50378%0.781SS.*  trans-65.595.6161.51590000107.8F7 S11F7-S9 PolarHBondContact O-N 3.17Å; S9-S11 VanDerWaalsContact C-N 3.25Å; S9-S11 PolarHBondContact O-N 3.35Å
10K54.8Low55Low187 Ų187149.1 Ų149.181%0.81378%0.776SS**  trans-65.289.8162.7-69.3178.2178.6179.20107.5L8 N12L8-K10 VanDerWaalsContact C-N 3.3Å; L8-K10 PolarHBondContact O-N 3.18Å; K10-N12 VanDerWaalsContact C-N 3.33Å; K10-N12 PolarHBondContact O-N 3.06Å
11S55.8Low55.5Low89 Ų89150.2 Ų150.262%0.62277%0.77SS**  trans-65.9101.9159.844.90000106.9S9 V13S9-S11 VanDerWaalsContact C-N 3.25Å; S9-S11 PolarHBondContact O-N 3.35Å; S11-V13 PolarHBondContact O-N 3.04Å
12N52Low57.2Low152 Ų152143.6 Ų143.681%0.81375%0.747SS**  trans-6478.9162.2-90-19.5000107.7K10 F14K10-N12 VanDerWaalsContact C-N 3.33Å; K10-N12 PolarHBondContact O-N 3.06Å; N12-F14 PolarHBondContact O-N 3.35Å; N12-F14 VanDerWaalsContact O-N 3.12Å
13V56.4Low58.8Low117 Ų117138.8 Ų138.871%0.70972%0.723SS**  trans-76.197.8165.8-155.40000105.1S11 P15S11-V13 PolarHBondContact O-N 3.04Å; V13-P15 VanDerWaalsContact O-CD 3.26Å; V13-P15 WeakPolarHBondContact O-CD 3.18Å
14F51.3Low60.5Low183 Ų183138.3 Ų138.380%0.80373%0.728SS**  trans-42.3113.7166.9-101.5-96.5000108.4N12 L16N12-F14 PolarHBondContact O-N 3.35Å; N12-F14 VanDerWaalsContact O-N 3.12Å; F14-L16 PolarHBondContact O-N 3.44Å
15P54.9Low62.1Low97 Ų97131.2 Ų131.263%0.6371%0.71SS**  trans-70.9109.3167.128.4-26.9000104.8V13 L17V13-P15 VanDerWaalsContact O-CD 3.26Å; V13-P15 WeakPolarHBondContact O-CD 3.18Å; P15-L17 PolarHBondContact O-N 3.23Å
16L53.4Low63.6Low143 Ų143133.9 Ų133.975%0.74970%0.703SS**  trans-53.997.7160.3-71169.8000106.1F14 F18F14-L16 PolarHBondContact O-N 3.44Å; L16-F18 HydrophobicContact CB-CD2 4.08Å; L16-F18 HydrophobicContact CB-CE2 4.21Å; L16-F18 PolarHBondContact O-N 3.36Å
17L52.4Low65Low160 Ų160131.7 Ų131.784%0.83869%0.692SS**  trans-68.461.4174.6-88.5142.2000108.8P15P15-L17 PolarHBondContact O-N 3.23Å
18F59.3Low67Low163 Ų163125.9 Ų125.972%0.71568%0.678SS**  trans-60.7128.1148.4-74.8-79.2000105.3L16 Y20L16-F18 HydrophobicContact CB-CD2 4.08Å; L16-F18 HydrophobicContact CB-CE2 4.21Å; L16-F18 PolarHBondContact O-N 3.36Å; F18-Y20 VanDerWaalsContact C-N 3.28Å; F18-Y20 PolarHBondContact O-N 3.17Å
19P59.5Low68.7Low96 Ų96125.9 Ų125.962%0.62368%0.678SS**  trans-59.3102.7172.425.4-32.2000106.1R21P19-R21 HydrophobicContact CB-CG 4.16Å; P19-R21 PolarHBondContact O-N 3.28Å
20Y63.1Low70.4Confident173 Ų173126.1 Ų126.168%0.67868%0.679SS**  trans-69.875.7171.5-174.6-96.6000105.4F18 C22 R26F18-Y20 VanDerWaalsContact C-N 3.28Å; F18-Y20 PolarHBondContact O-N 3.17Å; Y20-C22 WeakPolarHBondContact CD1-SG 3.21Å; Y20-C22 HydrophobicContact CE1-CB 4.4Å; Y20-C22 WeakPolarHBondContact CE1-SG 3.42Å; Y20-C22 PolarHBondContact O-N 2.88Å; Y20-R26 VanDerWaalsContact CG-NH2 3.3Å
21R66.7Low72.2Confident173 Ų173126.9 Ų126.965%0.65368%0.677SS**  trans-68.4102.2172.7-66.3-168.1176.8-139.81105.5P19 N23 R26P19-R21 HydrophobicContact CB-CG 4.16Å; P19-R21 PolarHBondContact O-N 3.28Å; R21-N23 PolarHBondContact O-N 3.49Å; R21-R26 PolarHBondContact O-NE 3.09Å; R21-R26 PolarHBondContact O-NH2 2.98Å
22C78.6Confident74Confident110 Ų110124.8 Ų124.874%0.74366%0.66SS**  trans-70.551.9169.9-51.20000109.9Y20Y20-C22 WeakPolarHBondContact CD1-SG 3.21Å; Y20-C22 HydrophobicContact CE1-CB 4.4Å; Y20-C22 WeakPolarHBondContact CE1-SG 3.42Å; Y20-C22 PolarHBondContact O-N 2.88Å
23N88.6Confident76.1Confident66 Ų66126.9 Ų126.935%0.35366%0.662SS.*  trans-105.9147.517967.73.4000110.2R21 N25 R26R21-N23 PolarHBondContact O-N 3.49Å; N23-N25 PolarHBondContact O-N 2.87Å; N23-N25 VanDerWaalsContact O-N 3.1Å; N23-R26 PolarHBondContact O-N 2.81Å; N23-R26 PolarHBondContact OD1-N 2.82Å; N23-R26 VanDerWaalsContact OD1-N 3.09Å
24A88.5Confident78Confident101 Ų101130.5 Ų130.584%0.83566%0.663SS**G310 helixtrans-60.9-19.4174.900000112.4
25N90Very high80.1Confident119 Ų119134 Ų13464%0.63667%0.67SS**G310 helixtrans-82.3-10.4-175-62.6-19.2000114.1N23 A27 A28N23-N25 PolarHBondContact O-N 2.87Å; N23-N25 VanDerWaalsContact O-N 3.1Å; N25-A27 PolarHBondContact O-N 3.1Å; N25-A27 VanDerWaalsContact O-N 3.1Å; N25-A28 PolarHBondContact O-N 2.87Å
26R89.7Confident82.1Confident137 Ų137137.1 Ų137.152%0.51768%0.681SS.*G310 helixtrans-51.8-38.9-175.7-176.4-175.3-72.4-163.55.1113.2Y20 R21 N23Y20-R26 VanDerWaalsContact CG-NH2 3.3Å; R21-R26 PolarHBondContact O-NE 3.09Å; R21-R26 PolarHBondContact O-NH2 2.98Å; N23-R26 PolarHBondContact O-N 2.81Å; N23-R26 PolarHBondContact OD1-N 2.82Å; N23-R26 VanDerWaalsContact OD1-N 3.09Å
27A89.4Confident84.2Confident74 Ų74136.7 Ų136.761%0.61267%0.671SS**G310 helixtrans-120.415.2-178.700000113.4N25 L29 C30N25-A27 PolarHBondContact O-N 3.1Å; N25-A27 VanDerWaalsContact O-N 3.1Å; A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.26Å; A27-C30 PolarHBondContact O-SG 3.45Å
28A90.1Very high86.2Confident60 Ų60131.9 Ų131.950%0.49666%0.66SS.*THydrogen-bonded Turntrans-67.1-33.2-176.300000112.7N25 C30N25-A28 PolarHBondContact O-N 2.87Å; A28-C30 PolarHBondContact O-N 2.98Å
29L90.6Very high88Confident172 Ų172133.3 Ų133.390%0.90166%0.66SS**SBendtrans-89.799.7179.1-58.4-178.8000110.3A27A27-L29 VanDerWaalsContact C-N 3.32Å; A27-L29 PolarHBondContact O-N 3.26Å
30C92.8Very high89.7Confident76 Ų76131.4 Ų131.451%0.51465%0.647SS.*  trans-139.4163.1-179.6-78.10000111.7A27 A28 R56A27-C30 PolarHBondContact O-SG 3.45Å; A28-C30 PolarHBondContact O-N 2.98Å; C30-R56 PolarHBondContact O-NH2 2.92Å
31R92.8Very high91.3Very high204 Ų204126.2 Ų126.277%0.7763%0.626SS**  trans-125.2162.7170.574178.7-174.7-156.10.2111.3K33R31-K33 PolarHBondContact O-N 2.97Å
32T94.6Very high92.7Very high44 Ų44121.5 Ų121.527%0.2762%0.619SS.*  trans-66.2117.1171.9-52.70000109.8R34 Y37T32-R34 HydrophobicContact CG2-CB 4.24Å; T32-R34 HydrophobicContact CG2-CG 4.29Å; T32-R34 PolarHBondContact O-N 3.34Å; T32-R34 VanDerWaalsContact O-N 3.1Å; T32-Y37 HydrophobicContact CG2-CD1 4.25Å; T32-Y37 HydrophobicContact CG2-CD2 4.09Å; T32-Y37 HydrophobicContact CG2-CG 3.83Å
33K95.4Very high93.6Very high197 Ų197116.3 Ų116.386%0.85758%0.583SS**  trans-85.342.9-177-62.1-177.6-178.9179.10112.7R31R31-K33 PolarHBondContact O-N 2.97Å
34R96Very high94Very high193 Ų193115.8 Ų115.873%0.72859%0.585SS**  trans-119.8146176.3-64.6-173.9179176.60.1109.5T32 Y37T32-R34 HydrophobicContact CG2-CB 4.24Å; T32-R34 HydrophobicContact CG2-CG 4.29Å; T32-R34 PolarHBondContact O-N 3.34Å; T32-R34 VanDerWaalsContact O-N 3.1Å; R34-Y37 VanDerWaalsContact O-CD1 3.32Å; R34-Y37 WeakPolarHBondContact O-CD1 3.4Å
35R96.5Very high94.4Very high255 Ų255112.4 Ų112.496%0.96255%0.552SS**SBendtrans-65.9-45.3177.3-77.6-174.7170.6179.9-2.6111.8
36L96.7Very high94.8Very high163 Ų163108.4 Ų108.485%0.85353%0.531SS*.SBendtrans-116.3125.8174.7-60.3176.4000108.6
37Y96.5Very high95.1Very high135 Ų135106.1 Ų106.153%0.52952%0.523SS..  trans-150.8145.8175.760.8-80.9000110.1T32 R34T32-Y37 HydrophobicContact CG2-CD1 4.25Å; T32-Y37 HydrophobicContact CG2-CD2 4.09Å; T32-Y37 HydrophobicContact CG2-CG 3.83Å; R34-Y37 VanDerWaalsContact O-CD1 3.32Å; R34-Y37 WeakPolarHBondContact O-CD1 3.4Å
38G96Very high95.3Very high59 Ų59105.8 Ų105.861%0.60852%0.515SS*.  trans-66.5151.9173.200000111.5T40G38-T40 PolarHBondContact O-N 3.32Å
39R95.6Very high95.3Very high192 Ų192109.4 Ų109.473%0.72553%0.525SS*.  trans-60.2134.4173.6-174.9169.1-179.7172.50.6109.3Y41R39-Y41 WeakPolarHBondContact CD-OH 3.29Å; R39-Y41 HydrophobicContact CG-CE1 4.3Å; R39-Y41 HydrophobicContact CG-CE2 4.26Å; R39-Y41 PolarHBondContact NE-OH 3.5Å
40T96.3Very high95.4Very high56 Ų56104 Ų10434%0.34451%0.512SS..  trans-125.1150.6174.453.70000109.7G38 F57G38-T40 PolarHBondContact O-N 3.32Å; T40-F57 CarbonylContact C-O 3.57Å; T40-F57 WeakPolarHBondContact CA-O 3.38Å; T40-F57 WeakPolarHBondContact CB-O 3.43Å
41Y96.6Very high95.5Very high64 Ų64101.9 Ų101.925%0.25150%0.503SS..EExtended strand (participates in β ladder)trans-114.6143.1-178-58.1-84.7000109.6R39 V43 R56 F57 H58 P60R39-Y41 WeakPolarHBondContact CD-OH 3.29Å; R39-Y41 HydrophobicContact CG-CE1 4.3Å; R39-Y41 HydrophobicContact CG-CE2 4.26Å; R39-Y41 PolarHBondContact NE-OH 3.5Å; Y41-V43 PolarHBondContact O-N 2.91Å; Y41-R56 CarbonylContact O-C 3.48Å; Y41-R56 WeakPolarHBondContact O-CA 3.35Å; Y41-F57 PolarHBondContact N-O 3.47Å; Y41-F57 PolarHBondContact O-N 3.49Å; Y41-H58 WeakPolarHBondContact CD2-O 3.43Å; Y41-H58 WeakPolarHBondContact CE2-O 3.48Å; Y41-P60 HydrophobicContact CD1-CB 3.97Å; Y41-P60 HydrophobicContact CD2-CB 3.92Å; Y41-P60 HydrophobicContact CE1-CB 4.06Å; Y41-P60 HydrophobicContact CE2-CB 4.02Å; Y41-P60 HydrophobicContact CE2-CG 4.32Å; Y41-P60 HydrophobicContact CG-CB 3.89Å
42P95.7Very high95.7Very high75 Ų7596.3 Ų96.349%0.48750%0.495SS..EExtended strand (participates in β ladder)trans-71.5121.6172.628.8-31.3000109.6I55P42-I55 CarbonylContact C-O 3.53Å; P42-I55 WeakPolarHBondContact CA-O 3.49Å
43V97.2Very high95.7Very high1 Ų198.2 Ų98.21%0.00650%0.503CS..EExtended strand (participates in β ladder)trans-126.6141.5-178.7-174.60000109.8Y41 I55 F57 R61 L64Y41-V43 PolarHBondContact O-N 2.91Å; V43-I55 HydrophobicContact CB-CG1 4.46Å; V43-I55 PolarHBondContact N-O 2.92Å; V43-I55 PolarHBondContact O-N 3.19Å; V43-F57 HydrophobicContact CB-CB 4.12Å; V43-F57 HydrophobicContact CG2-CB 3.48Å; V43-F57 VanDerWaalsContact CG2-CB 3.48Å; V43-F57 HydrophobicContact CG2-CG 4.41Å; V43-R61 HydrophobicContact CG1-CB 4.36Å; V43-R61 VanDerWaalsContact CG2-O 3.24Å; V43-R61 WeakPolarHBondContact CG2-O 3.01Å; V43-L64 HydrophobicContact CG1-CB 4.41Å; V43-L64 HydrophobicContact CG1-CD1 3.94Å; V43-L64 HydrophobicContact CG1-CG 3.78Å
44S97.2Very high95.7Very high54 Ų5498.3 Ų98.338%0.37850%0.498SS..EExtended strand (participates in β ladder)trans-85.9110.4173.7-64.20000110.3I62 M63 L64S44-I62 PolarHBondContact N-O 3.15Å; S44-M63 CarbonylContact O-C 3.58Å; S44-M63 WeakPolarHBondContact O-CA 3.41Å; S44-M63 WeakPolarHBondContact O-CB 3.36Å; S44-L64 PolarHBondContact O-N 2.94Å
45L97.4Very high95.7Very high30 Ų3091.7 Ų91.716%0.15748%0.476CS..EExtended strand (participates in β ladder)trans-84.2121.7171.8-174.176.7000108.9Y47 S52 I53 I55 L64 I66L45-Y47 HydrophobicContact CD2-CE2 4.45Å; L45-S52 CarbonylContact O-C 3.59Å; L45-S52 VanDerWaalsContact O-CA 3.25Å; L45-S52 WeakPolarHBondContact O-CA 3.36Å; L45-I53 WeakPolarHBondContact CB-O 3.38Å; L45-I53 PolarHBondContact N-O 3.31Å; L45-I53 PolarHBondContact O-N 3.38Å; L45-I55 HydrophobicContact CB-CD1 3.96Å; L45-I55 HydrophobicContact CB-CG1 4.15Å; L45-I55 HydrophobicContact CB-CG2 4.42Å; L45-I55 HydrophobicContact CD1-CD1 4.12Å; L45-I55 HydrophobicContact CD2-CD1 4.41Å; L45-I55 HydrophobicContact CG-CD1 4.41Å; L45-L64 CarbonylContact C-O 3.56Å; L45-L64 WeakPolarHBondContact CA-O 3.25Å; L45-L64 HydrophobicContact CD1-CB 3.96Å; L45-I66 HydrophobicContact CD1-CD1 3.91Å; L45-I66 HydrophobicContact CD1-CG1 3.91Å; L45-I66 HydrophobicContact CD2-CD1 3.9Å; L45-I66 HydrophobicContact CG-CD1 3.83Å; L45-I66 HydrophobicContact CG-CG1 4.3Å
46I97.3Very high95.6Very high36 Ų3686.2 Ų86.219%0.18546%0.455CS..EExtended strand (participates in β ladder)trans-108.3124.3-178.9-65.4162.1000109G51 M63 L64 I66I46-G51 WeakPolarHBondContact CA-O 3.42Å; I46-M63 HydrophobicContact CD1-CB 4.02Å; I46-M63 HydrophobicContact CD1-CE 3.21Å; I46-M63 HydrophobicContact CD1-CG 4.24Å; I46-M63 HydrophobicContact CD1-SD 3.4Å; I46-M63 WeakPolarHBondContact CD1-SD 3.23Å; I46-L64 PolarHBondContact N-O 3.36Å; I46-I66 PolarHBondContact O-N 3.08Å
47Y95.9Very high95.6Very high88 Ų8880.9 Ų80.935%0.34543%0.425SS..  trans-80.7157.4175.2-71.4-79.1000111.3L45 N49 G50 G51 I53 I66L45-Y47 HydrophobicContact CD2-CE2 4.45Å; Y47-N49 WeakPolarHBondContact CB-OD1 3.36Å; Y47-N49 PolarHBondContact O-N 3.11Å; Y47-N49 VanDerWaalsContact O-N 3.17Å; Y47-G50 PolarHBondContact O-N 3.1Å; Y47-G51 PolarHBondContact N-O 3.12Å; Y47-I53 HydrophobicContact CE2-CB 4.3Å; Y47-I53 HydrophobicContact CE2-CD1 3.53Å; Y47-I53 HydrophobicContact CE2-CG1 3.77Å; Y47-I66 HydrophobicContact CD1-CD1 3.63Å; Y47-I66 HydrophobicContact CE1-CD1 3.72Å; Y47-I66 HydrophobicContact CG-CD1 4.34Å
48P93.6Very high95.6Very high68 Ų6879.7 Ų79.744%0.44242%0.424SS..THydrogen-bonded Turntrans-63.8-20.5177.926.3-35.7000113.4G50 L68P48-G50 VanDerWaalsContact C-N 3.26Å; P48-G50 PolarHBondContact O-N 3.27Å; P48-L68 HydrophobicContact CB-CB 3.94Å; P48-L68 HydrophobicContact CB-CD1 3.91Å; P48-L68 HydrophobicContact CG-CD1 4.32Å
49N90.4Very high95.6Very high135 Ų13581 Ų8172%0.72242%0.415SS*.THydrogen-bonded Turntrans-810.617468-3000113.8Y47 G51Y47-N49 WeakPolarHBondContact CB-OD1 3.36Å; Y47-N49 PolarHBondContact O-N 3.11Å; Y47-N49 VanDerWaalsContact O-N 3.17Å; N49-G51 VanDerWaalsContact C-N 3.35Å; N49-G51 PolarHBondContact OD1-N 2.9Å
50G92.2Very high95.6Very high60 Ų6076.5 Ų76.562%0.61941%0.41SS*.SBendtrans87.6-6.3-179.400000115.1Y47 P48Y47-G50 PolarHBondContact O-N 3.1Å; P48-G50 VanDerWaalsContact C-N 3.26Å; P48-G50 PolarHBondContact O-N 3.27Å
51G95.4Very high95.6Very high31 Ų3180.1 Ų80.132%0.3242%0.418SS..  trans-65.5152.7172.300000111.8I46 Y47 N49I46-G51 WeakPolarHBondContact CA-O 3.42Å; Y47-G51 PolarHBondContact N-O 3.12Å; N49-G51 VanDerWaalsContact C-N 3.35Å; N49-G51 PolarHBondContact OD1-N 2.9Å
52S96.8Very high95.5Very high86 Ų8684.5 Ų84.560%0.60144%0.444SS*.EExtended strand (participates in β ladder)trans-132.3142.8176.766.20000112.6L45L45-S52 CarbonylContact O-C 3.59Å; L45-S52 VanDerWaalsContact O-CA 3.25Å; L45-S52 WeakPolarHBondContact O-CA 3.36Å
53I95.9Very high95.5Very high85 Ų8585.8 Ų85.844%0.43645%0.445SS..EExtended strand (participates in β ladder)trans-131.7139.8175.1-64.8-179.9000109.3L45 Y47 I55L45-I53 WeakPolarHBondContact CB-O 3.38Å; L45-I53 PolarHBondContact N-O 3.31Å; L45-I53 PolarHBondContact O-N 3.38Å; Y47-I53 HydrophobicContact CE2-CB 4.3Å; Y47-I53 HydrophobicContact CE2-CD1 3.53Å; Y47-I53 HydrophobicContact CE2-CG1 3.77Å; I53-I55 HydrophobicContact CG2-CG2 4.11Å
54R95.1Very high95.4Very high199 Ų19987 Ų8775%0.75145%0.451SS*.EExtended strand (participates in β ladder)trans-87116.7176.3-167.1175-174.2-175.31.8110.3
55I95.3Very high95.4Very high53 Ų5391.7 Ų91.727%0.27247%0.467SS..EExtended strand (participates in β ladder)trans-117.8167.917962.8169000111.1P42 V43 L45 I53 L64P42-I55 CarbonylContact C-O 3.53Å; P42-I55 WeakPolarHBondContact CA-O 3.49Å; V43-I55 HydrophobicContact CB-CG1 4.46Å; V43-I55 PolarHBondContact N-O 2.92Å; V43-I55 PolarHBondContact O-N 3.19Å; L45-I55 HydrophobicContact CB-CD1 3.96Å; L45-I55 HydrophobicContact CB-CG1 4.15Å; L45-I55 HydrophobicContact CB-CG2 4.42Å; L45-I55 HydrophobicContact CD1-CD1 4.12Å; L45-I55 HydrophobicContact CD2-CD1 4.41Å; L45-I55 HydrophobicContact CG-CD1 4.41Å; I53-I55 HydrophobicContact CG2-CG2 4.11Å; I55-L64 HydrophobicContact CD1-CD1 4.35Å
56R95.2Very high95.3Very high140 Ų14092.9 Ų92.953%0.52847%0.473SS..EExtended strand (participates in β ladder)trans-100.6125.4169.7-70.1-175.8-176.881.42.9108.7C30 Y41C30-R56 PolarHBondContact O-NH2 2.92Å; Y41-R56 CarbonylContact O-C 3.48Å; Y41-R56 WeakPolarHBondContact O-CA 3.35Å
57F96.5Very high95.1Very high51 Ų5196.4 Ų96.422%0.22450%0.498CS..EExtended strand (participates in β ladder)trans-124.1158.8-178.2-161.1-117.9000111.1T40 Y41 V43 E59 L64T40-F57 CarbonylContact C-O 3.57Å; T40-F57 WeakPolarHBondContact CA-O 3.38Å; T40-F57 WeakPolarHBondContact CB-O 3.43Å; Y41-F57 PolarHBondContact N-O 3.47Å; Y41-F57 PolarHBondContact O-N 3.49Å; V43-F57 HydrophobicContact CB-CB 4.12Å; V43-F57 HydrophobicContact CG2-CB 3.48Å; V43-F57 VanDerWaalsContact CG2-CB 3.48Å; V43-F57 HydrophobicContact CG2-CG 4.41Å; F57-E59 HydrophobicContact CD1-CB 3.92Å; F57-E59 HydrophobicContact CE1-CB 3.9Å; F57-L64 HydrophobicContact CD1-CD1 4.06Å; F57-L64 HydrophobicContact CD2-CD1 3.85Å; F57-L64 HydrophobicContact CE1-CD1 4.1Å; F57-L64 HydrophobicContact CE1-CD2 4.44Å; F57-L64 HydrophobicContact CE2-CD1 3.89Å; F57-L64 HydrophobicContact CG-CD1 3.93Å; F57-L64 HydrophobicContact CZ-CD1 4Å
58H96.1Very high94.9Very high110 Ų11095.6 Ų95.651%0.50950%0.499SS..SBendtrans-76.4-36.8-177.362.3-74.2000112.7Y41Y41-H58 WeakPolarHBondContact CD2-O 3.43Å; Y41-H58 WeakPolarHBondContact CE2-O 3.48Å
59E95.6Very high94.9Very high87 Ų8796 Ų9641%0.40750%0.497SS..SBendtrans-90.2145.8176.7-78.8156.8-14900112.3F57 R61F57-E59 HydrophobicContact CD1-CB 3.92Å; F57-E59 HydrophobicContact CE1-CB 3.9Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 HydrophobicContact CB-CG 4.07Å; E59-R61 PolarHBondContact O-N 3.25Å
60P96Very high94.9Very high98 Ų9891.2 Ų91.264%0.63647%0.472SS*.  trans-78.376.7176.933.2-35.1000111.2Y41Y41-P60 HydrophobicContact CD1-CB 3.97Å; Y41-P60 HydrophobicContact CD2-CB 3.92Å; Y41-P60 HydrophobicContact CE1-CB 4.06Å; Y41-P60 HydrophobicContact CE2-CB 4.02Å; Y41-P60 HydrophobicContact CE2-CG 4.32Å; Y41-P60 HydrophobicContact CG-CB 3.89Å
61R95.4Very high94.8Very high131 Ų13194 Ų9449%0.49447%0.472SS..  trans-104.3148.6174.8-55.6-177.792.7175.97.4110.2V43 E59V43-R61 HydrophobicContact CG1-CB 4.36Å; V43-R61 VanDerWaalsContact CG2-O 3.24Å; V43-R61 WeakPolarHBondContact CG2-O 3.01Å; E59-R61 VanDerWaalsContact C-N 3.3Å; E59-R61 HydrophobicContact CB-CG 4.07Å; E59-R61 PolarHBondContact O-N 3.25Å
62I94.8Very high94.5Very high157 Ų15799 Ų9981%0.80549%0.492SS*.SBendtrans-76.6-46.4176.8-60.5174000110.1S44S44-I62 PolarHBondContact N-O 3.15Å
63M95.6Very high94.1Very high102 Ų10295.9 Ų95.950%0.50247%0.47SS..EExtended strand (participates in β ladder)trans-140.2157.5177.377.8168.841.900112.9S44 I46S44-M63 CarbonylContact O-C 3.58Å; S44-M63 WeakPolarHBondContact O-CA 3.41Å; S44-M63 WeakPolarHBondContact O-CB 3.36Å; I46-M63 HydrophobicContact CD1-CB 4.02Å; I46-M63 HydrophobicContact CD1-CE 3.21Å; I46-M63 HydrophobicContact CD1-CG 4.24Å; I46-M63 HydrophobicContact CD1-SD 3.4Å; I46-M63 WeakPolarHBondContact CD1-SD 3.23Å
64L96.3Very high94Very high27 Ų2794.3 Ų94.314%0.14147%0.466CS..EExtended strand (participates in β ladder)trans-126.1118.9170.3-72.1170.4000108.3V43 S44 L45 I46 I55 F57V43-L64 HydrophobicContact CG1-CB 4.41Å; V43-L64 HydrophobicContact CG1-CD1 3.94Å; V43-L64 HydrophobicContact CG1-CG 3.78Å; S44-L64 PolarHBondContact O-N 2.94Å; L45-L64 CarbonylContact C-O 3.56Å; L45-L64 WeakPolarHBondContact CA-O 3.25Å; L45-L64 HydrophobicContact CD1-CB 3.96Å; I46-L64 PolarHBondContact N-O 3.36Å; I55-L64 HydrophobicContact CD1-CD1 4.35Å; F57-L64 HydrophobicContact CD1-CD1 4.06Å; F57-L64 HydrophobicContact CD2-CD1 3.85Å; F57-L64 HydrophobicContact CE1-CD1 4.1Å; F57-L64 HydrophobicContact CE1-CD2 4.44Å; F57-L64 HydrophobicContact CE2-CD1 3.89Å; F57-L64 HydrophobicContact CG-CD1 3.93Å; F57-L64 HydrophobicContact CZ-CD1 4Å
65Q96.1Very high94Very high152 Ų15289.9 Ų89.971%0.7146%0.464SS*.EExtended strand (participates in β ladder)trans-96.8123.6177.6-171.7174.31400110.1
66I95.3Very high93.9Very high55 Ų5593.6 Ų93.628%0.28248%0.48SS..PPolyproline II helixtrans-77.8128.1172.5-64.6166.4000108.2L45 I46 Y47L45-I66 HydrophobicContact CD1-CD1 3.91Å; L45-I66 HydrophobicContact CD1-CG1 3.91Å; L45-I66 HydrophobicContact CD2-CD1 3.9Å; L45-I66 HydrophobicContact CG-CD1 3.83Å; L45-I66 HydrophobicContact CG-CG1 4.3Å; I46-I66 PolarHBondContact O-N 3.08Å; Y47-I66 HydrophobicContact CD1-CD1 3.63Å; Y47-I66 HydrophobicContact CE1-CD1 3.72Å; Y47-I66 HydrophobicContact CG-CD1 4.34Å
67P94.5Very high93.8Very high110 Ų11091 Ų9171%0.71447%0.474SS*.PPolyproline II helixtrans-67.3147.6174.129.5-34.6000110.5D69P67-D69 PolarHBondContact O-N 3.38Å
68L91.4Very high93.7Very high71 Ų7193.8 Ų93.837%0.37248%0.483SS..PPolyproline II helixtrans-71.5127.6169.817768.2000109.6P48 R81P48-L68 HydrophobicContact CB-CB 3.94Å; P48-L68 HydrophobicContact CB-CD1 3.91Å; P48-L68 HydrophobicContact CG-CD1 4.32Å; L68-R81 VanDerWaalsContact CD2-CZ 3.5Å; L68-R81 VanDerWaalsContact CD2-NE 3.29Å
69D92.4Very high93.6Very high75 Ų7594.5 Ų94.540%0.40149%0.486SS..PPolyproline II helixtrans-74.3135168.7-164.9-7.6000110.3P67 N71 C73P67-D69 PolarHBondContact O-N 3.38Å; D69-N71 VanDerWaalsContact C-N 3.34Å; D69-N71 PolarHBondContact OD1-N 3.23Å; D69-N71 VanDerWaalsContact OD1-N 3.12Å; D69-N71 PolarHBondContact OD1-ND2 3.29Å; D69-C73 PolarHBondContact O-SG 3.21Å; D69-C73 VanDerWaalsContact O-SG 3.32Å
70L90.1Very high93.6Very high36 Ų3696.7 Ų96.719%0.18850%0.495CS..SBendtrans-80.1-18.7179.3-66.2177.6000112.5
71N90.4Very high93.5Very high117 Ų11795.5 Ų95.563%0.62648%0.477SS*.SBendtrans-76.3-29.9179.3-59.8-45.8000112.2D69 C73D69-N71 VanDerWaalsContact C-N 3.34Å; D69-N71 PolarHBondContact OD1-N 3.23Å; D69-N71 VanDerWaalsContact OD1-N 3.12Å; D69-N71 PolarHBondContact OD1-ND2 3.29Å; N71-C73 VanDerWaalsContact C-N 3.28Å; N71-C73 PolarHBondContact O-N 3.36Å
72D89.8Confident93.3Very high137 Ų13793.2 Ų93.273%0.73348%0.475SS*.SBendtrans-78-12.8178.1-65.2-20.6000113.2
73C88.3Confident93.2Very high20 Ų2091.4 Ų91.414%0.13547%0.466CS..SBendtrans-81149.9-178.5-650000111.7D69 N71 R78 R81D69-C73 PolarHBondContact O-SG 3.21Å; D69-C73 VanDerWaalsContact O-SG 3.32Å; N71-C73 VanDerWaalsContact C-N 3.28Å; N71-C73 PolarHBondContact O-N 3.36Å; C73-R78 HydrophobicContact CB-CB 4.32Å; C73-R81 PolarHBondContact SG-NH1 2.88Å
74S94.1Very high93.1Very high52 Ų5296.5 Ų96.536%0.36448%0.48SS..  trans-59.8149.7165.570.40000110.6E76 E77 R78S74-E76 PolarHBondContact O-N 3.3Å; S74-E77 PolarHBondContact O-N 3.2Å; S74-E77 WeakPolarHBondContact OG-CB 3.49Å; S74-E77 VanDerWaalsContact OG-CG 3.23Å; S74-E77 WeakPolarHBondContact OG-CG 3.49Å; S74-E77 PolarHBondContact OG-N 3.32Å; S74-R78 WeakPolarHBondContact O-CB 3.49Å; S74-R78 PolarHBondContact O-N 3.12Å
75P93.8Very high92.9Very high107 Ų107103.2 Ų103.270%0.69550%0.503SS*.Hα-helixtrans-59.4-37.3-176.522.4-33.3000112.2R78 Q79P75-R78 PolarHBondContact O-N 3.04Å; P75-Q79 PolarHBondContact O-N 3.08Å
76E94.7Very high92.6Very high130 Ų13098.3 Ų98.361%0.60749%0.488SS*.Hα-helixtrans-64.7-46.4176.7-62.1-175.4-175.700112.5S74 R78 Q79 K80S74-E76 PolarHBondContact O-N 3.3Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 2.77Å; E76-Q79 PolarHBondContact O-N 3.25Å; E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 2.89Å
77E93.4Very high92.3Very high87 Ų87101.6 Ų101.641%0.40751%0.513SS..Hα-helixtrans-65.9-39.2178.1-76.1-175.1-157.100111.7S74 Q79 K80 R81S74-E77 PolarHBondContact O-N 3.2Å; S74-E77 WeakPolarHBondContact OG-CB 3.49Å; S74-E77 VanDerWaalsContact OG-CG 3.23Å; S74-E77 WeakPolarHBondContact OG-CG 3.49Å; S74-E77 PolarHBondContact OG-N 3.32Å; E77-Q79 VanDerWaalsContact C-N 3.33Å; E77-Q79 PolarHBondContact O-N 3.5Å; E77-K80 PolarHBondContact O-N 3.25Å; E77-R81 WeakPolarHBondContact O-CB 3.46Å; E77-R81 WeakPolarHBondContact O-CG 3.21Å; E77-R81 PolarHBondContact O-N 3.01Å; E77-R81 IonicContact OE2-CZ 3.46Å; E77-R81 IonicContact OE2-NH1 2.77Å; E77-R81 PolarHBondContact OE2-NH1 2.81Å; E77-R81 IonicContact OE2-NH2 3.2Å; E77-R81 PolarHBondContact OE2-NH2 2.98Å
78R94.4Very high91.8Very high108 Ų108108 Ų10841%0.40852%0.523SS..Hα-helixtrans-57.4-48.3174.1177.9179.4173164.6-0.8110.4C73 S74 P75 E76 R81 L82C73-R78 HydrophobicContact CB-CB 4.32Å; S74-R78 WeakPolarHBondContact O-CB 3.49Å; S74-R78 PolarHBondContact O-N 3.12Å; P75-R78 PolarHBondContact O-N 3.04Å; E76-R78 VanDerWaalsContact C-N 3.32Å; E76-R78 PolarHBondContact O-N 2.77Å; R78-R81 PolarHBondContact O-N 2.9Å; R78-L82 HydrophobicContact CG-CD1 4.17Å; R78-L82 WeakPolarHBondContact O-CG 3.35Å; R78-L82 PolarHBondContact O-N 3.48Å
79Q94.1Very high91.3Very high125 Ų125109.1 Ų109.158%0.58454%0.537SS*.Hα-helixtrans-61.2-47177.4-172.4178.24.600111.8P75 E76 E77 R81 L82 L83P75-Q79 PolarHBondContact O-N 3.08Å; E76-Q79 PolarHBondContact O-N 3.25Å; E77-Q79 VanDerWaalsContact C-N 3.33Å; E77-Q79 PolarHBondContact O-N 3.5Å; Q79-R81 VanDerWaalsContact C-N 3.28Å; Q79-R81 PolarHBondContact O-N 3.17Å; Q79-L82 PolarHBondContact O-N 2.89Å; Q79-L82 VanDerWaalsContact O-N 3.15Å; Q79-L83 HydrophobicContact CG-CD1 4.28Å; Q79-L83 WeakPolarHBondContact O-CG 3.45Å; Q79-L83 PolarHBondContact O-N 2.88Å
80K94.1Very high90.6Very high134 Ų134114.7 Ų114.758%0.58356%0.558SS**Hα-helixtrans-56.4-41.5175.7-71.8172.6-174.4170.40112E76 E77 R84E76-K80 WeakPolarHBondContact O-CG 3.4Å; E76-K80 PolarHBondContact O-N 2.89Å; E77-K80 PolarHBondContact O-N 3.25Å; K80-R84 WeakPolarHBondContact O-CG 3.21Å; K80-R84 PolarHBondContact O-N 2.85Å; K80-R84 VanDerWaalsContact O-N 3.08Å
81R93.5Very high89.9Confident73 Ų73120.1 Ų120.128%0.27559%0.586SS.*Hα-helixtrans-68-39.9177.1-73.5-178.3179.8100.78.6112.4L68 C73 E77 R78 Q79 R84 R85L68-R81 VanDerWaalsContact CD2-CZ 3.5Å; L68-R81 VanDerWaalsContact CD2-NE 3.29Å; C73-R81 PolarHBondContact SG-NH1 2.88Å; E77-R81 WeakPolarHBondContact O-CB 3.46Å; E77-R81 WeakPolarHBondContact O-CG 3.21Å; E77-R81 PolarHBondContact O-N 3.01Å; E77-R81 IonicContact OE2-CZ 3.46Å; E77-R81 IonicContact OE2-NH1 2.77Å; E77-R81 PolarHBondContact OE2-NH1 2.81Å; E77-R81 IonicContact OE2-NH2 3.2Å; E77-R81 PolarHBondContact OE2-NH2 2.98Å; R78-R81 PolarHBondContact O-N 2.9Å; Q79-R81 VanDerWaalsContact C-N 3.28Å; Q79-R81 PolarHBondContact O-N 3.17Å; R81-R84 PolarHBondContact O-N 3.39Å; R81-R85 WeakPolarHBondContact O-CG 3.41Å; R81-R85 PolarHBondContact O-N 2.8Å
82L92.8Very high89.1Confident83 Ų83119.8 Ų119.844%0.43559%0.589SS.*Hα-helixtrans-65-43.8176.1-70.1172000111.6R78 Q79 R84 R85 A86R78-L82 HydrophobicContact CG-CD1 4.17Å; R78-L82 WeakPolarHBondContact O-CG 3.35Å; R78-L82 PolarHBondContact O-N 3.48Å; Q79-L82 PolarHBondContact O-N 2.89Å; Q79-L82 VanDerWaalsContact O-N 3.15Å; L82-R84 VanDerWaalsContact C-N 3.3Å; L82-R84 PolarHBondContact O-N 2.79Å; L82-R85 WeakPolarHBondContact O-CB 3.34Å; L82-R85 PolarHBondContact O-N 2.92Å; L82-A86 PolarHBondContact O-N 3.05Å; L82-A86 VanDerWaalsContact O-N 3.08Å
83L92.8Very high88.2Confident118 Ų118120.2 Ų120.262%0.61859%0.59SS**Hα-helixtrans-60.5-38.3174.7-69.7173.1000112.2Q79 R85 A86Q79-L83 HydrophobicContact CG-CD1 4.28Å; Q79-L83 WeakPolarHBondContact O-CG 3.45Å; Q79-L83 PolarHBondContact O-N 2.88Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 3.25Å; L83-A86 WeakPolarHBondContact O-CB 3.24Å; L83-A86 PolarHBondContact O-N 2.88Å
84R92.1Very high87.3Confident210 Ų210126 Ų12679%0.79262%0.619SS**Hα-helixtrans-64.3-27.7174.2-79178.258.3-170.8-2.6113.9K80 R81 L82K80-R84 WeakPolarHBondContact O-CG 3.21Å; K80-R84 PolarHBondContact O-N 2.85Å; K80-R84 VanDerWaalsContact O-N 3.08Å; R81-R84 PolarHBondContact O-N 3.39Å; L82-R84 VanDerWaalsContact C-N 3.3Å; L82-R84 PolarHBondContact O-N 2.79Å
85R92.3Very high86.1Confident167 Ų167131.3 Ų131.363%0.6364%0.638SS**Hα-helixtrans-83.8-24.2177.8-69.1175.5-176.2-173.91.1112.3R81 L82 L83R81-R85 WeakPolarHBondContact O-CG 3.41Å; R81-R85 PolarHBondContact O-N 2.8Å; L82-R85 WeakPolarHBondContact O-CB 3.34Å; L82-R85 PolarHBondContact O-N 2.92Å; L83-R85 VanDerWaalsContact C-N 3.25Å; L83-R85 PolarHBondContact O-N 3.25Å
86A90.2Very high84.8Confident49 Ų49134.1 Ų134.141%0.40564%0.642SS.*SBendtrans-58.1140.2176.900000110.2L82 L83 R88L82-A86 PolarHBondContact O-N 3.05Å; L82-A86 VanDerWaalsContact O-N 3.08Å; L83-A86 WeakPolarHBondContact O-CB 3.24Å; L83-A86 PolarHBondContact O-N 2.88Å; A86-R88 PolarHBondContact O-N 2.98Å
87P89.3Confident83.5Confident125 Ų125133.8 Ų133.881%0.81264%0.643SS**  trans-60130.518025.6-33.7000109.5S89P87-S89 PolarHBondContact O-N 2.93Å; P87-S89 VanDerWaalsContact O-N 3.1Å
88R83.9Confident82.3Confident243 Ų243137.6 Ų137.692%0.91766%0.661SS**  trans-72.3104.8170.8-65.4-177.2179.4-176.8-2.1107.5A86 K90A86-R88 PolarHBondContact O-N 2.98Å; R88-K90 PolarHBondContact O-N 2.84Å
89S79.9Confident81.2Confident96 Ų96139.2 Ų139.267%0.67168%0.677SS**  trans-62.6122.9167.652.20000108P87 L91P87-S89 PolarHBondContact O-N 2.93Å; P87-S89 VanDerWaalsContact O-N 3.1Å; S89-L91 PolarHBondContact O-N 2.98Å; S89-L91 VanDerWaalsContact O-N 3.12Å
90K79.2Confident80.4Confident192 Ų192138.7 Ų138.784%0.83568%0.683SS**  trans-62.4115.6164.9-67.9-179.4-179.9179.10105.9R88 T92R88-K90 PolarHBondContact O-N 2.84Å; K90-T92 PolarHBondContact O-N 3.19Å
91L74.1Confident79.7Confident149 Ų149138.6 Ų138.678%0.7868%0.683SS**  trans-68.493.3167.8-66.2175.6000106.3S89 L93S89-L91 PolarHBondContact O-N 2.98Å; S89-L91 VanDerWaalsContact O-N 3.12Å; L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 3.32Å; L91-L93 VanDerWaalsContact O-N 3.11Å
92T73.9Confident79.3Confident111 Ų111140.2 Ų140.268%0.68170%0.697SS**  trans-70.499.7158.348.20000104.9K90 L94K90-T92 PolarHBondContact O-N 3.19Å; T92-L94 PolarHBondContact O-N 2.88Å
93L70.8Confident78.7Confident146 Ų146143 Ų14376%0.76471%0.708SS**  trans-61.293.9162.8-65175.8000105.2L91 E95L91-L93 VanDerWaalsContact C-N 3.3Å; L91-L93 PolarHBondContact O-N 3.32Å; L91-L93 VanDerWaalsContact O-N 3.11Å; L93-E95 PolarHBondContact O-N 3.1Å
94L69.8Low78.3Confident141 Ų141145.3 Ų145.374%0.73872%0.715SS**  trans-68.893.5158.5-67.7173.4000103.2T92 Q96T92-L94 PolarHBondContact O-N 2.88Å; L94-Q96 PolarHBondContact O-N 3.29Å
95E69.6Low77.9Confident163 Ų163138.1 Ų138.176%0.76270%0.701SS**  trans-56.897.2161.8-70.1179.2177.500105.1L93 I97L93-E95 PolarHBondContact O-N 3.1Å; E95-I97 PolarHBondContact O-N 3.41Å
96Q65.6Low77.5Confident167 Ų167135.8 Ų135.878%0.7869%0.693SS**  trans-69.387.9167-72.7-177.6-3.800105L94 E98L94-Q96 PolarHBondContact O-N 3.29Å; Q96-E98 VanDerWaalsContact C-N 3.35Å; Q96-E98 PolarHBondContact O-N 2.8Å; Q96-E98 VanDerWaalsContact O-N 3.1Å
97I68.8Low77.3Confident122 Ų122137.2 Ų137.263%0.62669%0.694SS**  trans-65.6106.4160.4-55.9173.3000103.9E95 D99E95-I97 PolarHBondContact O-N 3.41Å; I97-D99 WeakPolarHBondContact CG2-OD1 3.36Å; I97-D99 PolarHBondContact O-N 3.42Å
98E67.8Low77.2Confident168 Ų168138 Ų13879%0.78569%0.685SS**  trans-69.581.8169.8-69.9-176.9172.300108Q96 T100Q96-E98 VanDerWaalsContact C-N 3.35Å; Q96-E98 PolarHBondContact O-N 2.8Å; Q96-E98 VanDerWaalsContact O-N 3.1Å; E98-T100 PolarHBondContact O-N 3Å
99D69.9Low77.3Confident141 Ų141132 Ų13275%0.75467%0.671SS**  trans-75.455.7171-89.7-12.7000110.3I97 F101I97-D99 WeakPolarHBondContact CG2-OD1 3.36Å; I97-D99 PolarHBondContact O-N 3.42Å; D99-F101 PolarHBondContact O-N 3.12Å; D99-F101 VanDerWaalsContact O-N 3.09Å
100T77.9Confident77.5Confident114 Ų114134.1 Ų134.170%0.69967%0.673SS**  trans-83.970.4165.3-48.50000107.6E98 D102E98-T100 PolarHBondContact O-N 3Å; T100-D102 PolarHBondContact O-N 2.81Å
101F79.9Confident77.7Confident132 Ų132133.5 Ų133.558%0.57967%0.671SS**  trans-86.2106.1175.9176.4-100.5000110.1D99 Q103 Y106D99-F101 PolarHBondContact O-N 3.12Å; D99-F101 VanDerWaalsContact O-N 3.09Å; F101-Q103 HydrophobicContact CD1-CB 4.5Å; F101-Q103 HydrophobicContact CE1-CB 3.84Å; F101-Q103 HydrophobicContact CE1-CG 4.22Å; F101-Y106 HydrophobicContact CD2-CD2 4.13Å; F101-Y106 AromaticContact CD2-CE2 3.83Å; F101-Y106 HydrophobicContact CD2-CE2 3.83Å; F101-Y106 AromaticContact CE2-CD2 3.39Å; F101-Y106 HydrophobicContact CE2-CD2 3.39Å; F101-Y106 AromaticContact CE2-CE2 3.51Å; F101-Y106 HydrophobicContact CE2-CE2 3.51Å; F101-Y106 HydrophobicContact CE2-CG 4.22Å; F101-Y106 AromaticContact CZ-CD2 3.89Å; F101-Y106 HydrophobicContact CZ-CD2 3.89Å; F101-Y106 HydrophobicContact CZ-CE2 4.42Å
102D83.9Confident77.8Confident108 Ų108136.2 Ų136.258%0.57868%0.676SS**  trans-89104.7171.6-71.6-25.5000110.3T100 E104 A105 Y106T100-D102 PolarHBondContact O-N 2.81Å; D102-E104 PolarHBondContact O-N 3.02Å; D102-A105 HydrophobicContact CB-CB 4.26Å; D102-A105 WeakPolarHBondContact O-CB 3.2Å; D102-A105 PolarHBondContact O-N 2.71Å; D102-A105 VanDerWaalsContact O-N 3.17Å; D102-Y106 VanDerWaalsContact O-CD2 3.29Å; D102-Y106 WeakPolarHBondContact O-CD2 3.14Å
103Q80.6Confident77.4Confident141 Ų141144.5 Ų144.566%0.65970%0.703SS**G310 helixtrans-59.1-34.1-178.9-171.2174.11.800112.6F101 A105 Y106F101-Q103 HydrophobicContact CD1-CB 4.5Å; F101-Q103 HydrophobicContact CE1-CB 3.84Å; F101-Q103 HydrophobicContact CE1-CG 4.22Å; Q103-A105 VanDerWaalsContact C-N 3.28Å; Q103-A105 PolarHBondContact O-N 3.09Å; Q103-Y106 PolarHBondContact O-N 3.19Å
104E84.1Confident77.7Confident166 Ų166144.4 Ų144.478%0.77670%0.7SS**G310 helixtrans-63.2-34.2-179.8-63.2-168.9166.900112.8D102 Y106 N107D102-E104 PolarHBondContact O-N 3.02Å; E104-Y106 PolarHBondContact O-N 2.76Å; E104-N107 PolarHBondContact O-N 2.71Å
105A84.7Confident78.2Confident60 Ų60144.6 Ų144.650%0.49670%0.698SS.*G310 helixtrans-62.9-23.2179.100000112.4D102 Q103 F108D102-A105 HydrophobicContact CB-CB 4.26Å; D102-A105 WeakPolarHBondContact O-CB 3.2Å; D102-A105 PolarHBondContact O-N 2.71Å; D102-A105 VanDerWaalsContact O-N 3.17Å; Q103-A105 VanDerWaalsContact C-N 3.28Å; Q103-A105 PolarHBondContact O-N 3.09Å; A105-F108 WeakPolarHBondContact O-CD1 3.33Å; A105-F108 WeakPolarHBondContact O-CE1 3.26Å
106Y84.6Confident78.6Confident117 Ų117143.6 Ų143.646%0.45969%0.694SS.*G310 helixtrans-105.10.6-175.1-63.9-79000114.5F101 D102 Q103 E104 F108 L109F101-Y106 HydrophobicContact CD2-CD2 4.13Å; F101-Y106 AromaticContact CD2-CE2 3.83Å; F101-Y106 HydrophobicContact CD2-CE2 3.83Å; F101-Y106 AromaticContact CE2-CD2 3.39Å; F101-Y106 HydrophobicContact CE2-CD2 3.39Å; F101-Y106 AromaticContact CE2-CE2 3.51Å; F101-Y106 HydrophobicContact CE2-CE2 3.51Å; F101-Y106 HydrophobicContact CE2-CG 4.22Å; F101-Y106 AromaticContact CZ-CD2 3.89Å; F101-Y106 HydrophobicContact CZ-CD2 3.89Å; F101-Y106 HydrophobicContact CZ-CE2 4.42Å; D102-Y106 VanDerWaalsContact O-CD2 3.29Å; D102-Y106 WeakPolarHBondContact O-CD2 3.14Å; Q103-Y106 PolarHBondContact O-N 3.19Å; E104-Y106 PolarHBondContact O-N 2.76Å; Y106-F108 PolarHBondContact O-N 3.1Å; Y106-L109 HydrophobicContact CD1-CD1 3.89Å; Y106-L109 WeakPolarHBondContact O-CB 3.32Å; Y106-L109 PolarHBondContact O-N 3.26Å
107N84.1Confident79.4Confident79 Ų79142.2 Ų142.242%0.42269%0.689SS.*G310 helixtrans-58.9-23.6-179-81.3-24.7000113.9E104 L109 L110E104-N107 PolarHBondContact O-N 2.71Å; N107-L109 PolarHBondContact O-N 3.1Å; N107-L110 PolarHBondContact O-N 3.35Å
108F87.3Confident80.1Confident142 Ų142143.4 Ų143.462%0.62369%0.693SS**G310 helixtrans-66-25.6177.473.5-87.1000113.1A105 Y106 L110A105-F108 WeakPolarHBondContact O-CD1 3.33Å; A105-F108 WeakPolarHBondContact O-CE1 3.26Å; Y106-F108 PolarHBondContact O-N 3.1Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 PolarHBondContact O-N 3.41Å
109L87.3Confident80.9Confident118 Ų118141.8 Ų141.862%0.61869%0.687SS**G310 helixtrans-72.6-21.2178.7-64173.2000112.8Y106 N107Y106-L109 HydrophobicContact CD1-CD1 3.89Å; Y106-L109 WeakPolarHBondContact O-CB 3.32Å; Y106-L109 PolarHBondContact O-N 3.26Å; N107-L109 PolarHBondContact O-N 3.1Å
110L84.2Confident81.7Confident139 Ų139141.9 Ų141.973%0.72868%0.682SS**G310 helixtrans-88.7-11.7-176.2-69.8164.2000113.4N107 F108 K112N107-L110 PolarHBondContact O-N 3.35Å; F108-L110 VanDerWaalsContact C-N 3.27Å; F108-L110 PolarHBondContact O-N 3.41Å; L110-K112 PolarHBondContact O-N 2.76Å
111K82.9Confident82Confident179 Ų179144 Ų14478%0.77868%0.681SS**  trans-83107.8178.8-67.6-175-179.8179.90110.1
112K77.2Confident82.1Confident207 Ų207145 Ų14590%0.969%0.689SS**  trans-69.7135.7167.7-76.3-170.7176.8-1780109.8L110L110-K112 PolarHBondContact O-N 2.76Å
113K64.7Low82Confident284 Ų284148.4 Ų148.4100%1.23570%0.699SS**  trans-56.90169.2-90.4-175.7174.9179.90111.7

Retrieved 113 of 113 residues in 101.2 ms (Link to these results)