A0A069BCB3_SOYBN Loading...

AP2-EREBP transcription factor

Probably acts as a transcriptional activator. Binds to the GCC-box pathogenesis-related promoter element. May be involved in the regulation of gene expression by stress factors and by components of stress signal transduction pathways.

AlphaFold DB (C5IU97), UniProt , Accession A0A069BCB3, Species SOYBN (Glycine max, Soybean), Gene DREB2, Length 159 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M51.5Low49.9Very low239 Ų239138.5 Ų138.5100%1.17785%0.849SS**  0121.40-65169.6-163.200107
2E49Very low49.7Very low192 Ų192135.8 Ų135.890%0.89784%0.841SS**  cis-158.8130.1-25.5-158.8150.1121.300102
3E44.2Very low49.5Very low184 Ų184137.2 Ų137.286%0.8684%0.839SS**  trans-81.8165.3-169.4-92-76.6157.400113.2
4A50.1Low49.4Very low94 Ų94136 Ų13678%0.77783%0.832SS**  trans85.3121.7151.700000120.9
5G54.2Low48.7Very low82 Ų82135.1 Ų135.185%0.84583%0.827SS**  trans-161.363.4160.200000111.2
6L56.6Low49.3Very low163 Ų163136.6 Ų136.685%0.85383%0.826SS**  trans-76.1129.9165.6-86.7133.4000109.3
7G54.4Low49Very low78 Ų78135.8 Ų135.880%0.80482%0.822SS**  trans-134.584.8172.500000110.5
8D50.9Low49.1Very low153 Ų153140.9 Ų140.982%0.81882%0.824SS**  trans-84.2132.3159.8-78.4-48.4000109.1
9C50.3Low48.5Very low118 Ų118142.3 Ų142.380%0.79782%0.819SS**  trans-141.896.9164-169.80000111.3
10C46.5Very low48.5Very low106 Ų106141.4 Ų141.472%0.71682%0.821SS**  62.5102.1129.3-56.70000120.4
11S41.7Very low48.4Very low114 Ų114141.7 Ų141.780%0.79782%0.815SS**  49.4110110.2-520000121.1
12S46.6Very low48.2Very low107 Ų107140.1 Ų140.175%0.74880%0.802SS**  35.6127.9128.3-47.70000123.2
13N47.1Very low47.9Very low153 Ų153142 Ų14282%0.81880%0.8SS**  trans87.4128.9132.6-75.11000123.3
14T48.9Very low47.8Very low121 Ų121142.7 Ų142.774%0.74280%0.801SS**  trans97.5110.5144.1-520000120
15T39Very low47.6Very low123 Ų123146.7 Ų146.776%0.75580%0.803SS**  trans38.7104.7140.7-41.70000120.8
16I57.4Low47Very low159 Ų159151.3 Ų151.382%0.81580%0.803SS**  trans-146.5112.8149.2-57.5-177.1000111
17T44.2Very low46.7Very low122 Ų122152 Ų15275%0.74880%0.801SS**  trans-67.6126.715447.70000109.5
18R51.6Low46.3Very low229 Ų229156.7 Ų156.786%0.86480%0.802SS**  trans176.8127.8145-99.1157.4-174.7-157.22.1113.3
19K38.2Very low46.3Very low166 Ų166158 Ų15872%0.72280%0.804SS**  trans43.3109.3142.1-71.4-177.1162.9-153.60119.1E21K19-E21 WeakPolarHBondContact CD-OE2 3.44Å; K19-E21 IonicContact NZ-OE2 3.32Å; K19-E21 PolarHBondContact NZ-OE2 3.3Å
20S48.1Very low46.7Very low124 Ų124158.6 Ų158.687%0.86780%0.795SS**  trans-114.986.4149.9560000109.9K22S20-K22 PolarHBondContact O-N 3.45Å
21E46.3Very low47.6Very low149 Ų149162.2 Ų162.270%0.69680%0.801SS**  trans-72.6102160.5-79.4162.1111.900108.6K19K19-E21 WeakPolarHBondContact CD-OE2 3.44Å; K19-E21 IonicContact NZ-OE2 3.32Å; K19-E21 PolarHBondContact NZ-OE2 3.3Å
22K46.5Very low49.3Very low205 Ų205165.1 Ų165.189%0.89180%0.799SS**  trans-127.692.3158.8-93.4-173.5177.8175.30109.8S20 K24S20-K22 PolarHBondContact O-N 3.45Å; K22-K24 PolarHBondContact O-N 2.78Å
23R42.7Very low51.1Low231 Ų231162.8 Ų162.887%0.87278%0.782SS**  trans-58.6122.8166-57.8169.293.6-172.17.1108.6
24K41.8Very low53.3Low199 Ų199158.6 Ų158.687%0.86576%0.755SS**  trans-175126.8145.3-104166.6-172.9-171.70109.9K22K22-K24 PolarHBondContact O-N 2.78Å
25Q46.2Very low55.4Low179 Ų179157.3 Ų157.384%0.83674%0.736SS**  trans9069.1168.9-50.5-1774000115.9H27Q25-H27 VanDerWaalsContact C-N 3.28Å; Q25-H27 PolarHBondContact O-N 2.74Å
26Q42.1Very low57.9Low179 Ų179153 Ų15384%0.83672%0.717SS**  trans-63.889.6152-66171.8-300108.6
27H49.3Very low59.6Low177 Ų177145.8 Ų145.882%0.81968%0.68SS**SBendtrans-125.394.8158.1-103.734000105.5Q25 Q29Q25-H27 VanDerWaalsContact C-N 3.28Å; Q25-H27 PolarHBondContact O-N 2.74Å; H27-Q29 PolarHBondContact O-N 3.47Å
28Q46.7Very low62Low176 Ų176143.9 Ų143.982%0.82266%0.659SS**  trans33.483.9168.7-59.4-177.424.100113.4Q30Q28-Q30 PolarHBondContact O-N 3.24Å
29Q50.7Low64Low181 Ų181137.3 Ų137.385%0.84664%0.639SS**  trans-65.476.1165-66.7-178.732.100108H27 E31H27-Q29 PolarHBondContact O-N 3.47Å; Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.91Å
30Q58.3Low66.6Low130 Ų130136 Ų13661%0.60763%0.629SS**  trans-61.5110152-67.5-145.1-24.500104.9Q28 K32Q28-Q30 PolarHBondContact O-N 3.24Å; Q30-K32 PolarHBondContact O-N 3.28Å
31E66Low68.7Low182 Ų182140.7 Ų140.785%0.8563%0.634SS**  trans-46111.5-178.9-62.8-175.5154.200108.3Q29 P33Q29-E31 VanDerWaalsContact C-N 3.34Å; Q29-E31 PolarHBondContact O-N 2.91Å; E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.34Å; E31-P33 VanDerWaalsContact O-N 3.16Å
32K77.5Confident70.8Confident175 Ų175143.5 Ų143.576%0.76164%0.638SS**  trans-69.6113.1180-66.4174.4-176.91770105.9Q30 Y34Q30-K32 PolarHBondContact O-N 3.28Å; K32-Y34 PolarHBondContact O-N 3.3Å
33P84.8Confident73Confident58 Ų58135.9 Ų135.938%0.37762%0.618SS.*  trans-66.3-29.1-167.225.3-34.6000112.4E31 W45 P66E31-P33 VanDerWaalsContact O-CD 3.24Å; E31-P33 WeakPolarHBondContact O-CD 3.34Å; E31-P33 VanDerWaalsContact O-N 3.16Å; P33-W45 HydrophobicContact CG-CH2 3.63Å; P33-W45 HydrophobicContact CG-CZ3 3.62Å; P33-P66 HydrophobicContact CG-CB 3.88Å
34Y93.2Very high75.4Confident66 Ų66128.9 Ų128.926%0.25959%0.594SS.*SBendtrans-141.9152.1-176.3-57.8-69.7000112.6K32 I37 P66 V67 A70 N88 F89K32-Y34 PolarHBondContact O-N 3.3Å; Y34-I37 PolarHBondContact O-N 3.38Å; Y34-P66 HydrophobicContact CD2-CB 3.92Å; Y34-P66 HydrophobicContact CE2-CB 3.87Å; Y34-P66 HydrophobicContact CE2-CG 4.28Å; Y34-V67 HydrophobicContact CE2-CG2 4.1Å; Y34-A70 HydrophobicContact CD1-CB 4.03Å; Y34-A70 HydrophobicContact CD2-CB 3.69Å; Y34-A70 HydrophobicContact CE2-CB 4.43Å; Y34-A70 HydrophobicContact CG-CB 3.47Å; Y34-A70 VanDerWaalsContact CG-CB 3.47Å; Y34-N88 HydrophobicContact CD1-CB 4.2Å; Y34-F89 HydrophobicContact CD1-CZ 4.08Å; Y34-F89 AromaticContact CE1-CE1 3.92Å; Y34-F89 HydrophobicContact CE1-CE1 3.92Å; Y34-F89 AromaticContact CE1-CZ 3.61Å; Y34-F89 HydrophobicContact CE1-CZ 3.61Å; Y34-F89 AromaticContact CZ-CZ 3.92Å
35R91.9Very high78Confident94 Ų94121.2 Ų121.236%0.35556%0.56SS.*THydrogen-bonded Turntrans-67.7139.4176.4-68.2158.959.7-136-8.4110.1I37 Y73 R86 L87 N88R35-I37 PolarHBondContact O-N 2.72Å; R35-Y73 WeakPolarHBondContact O-CD1 3.48Å; R35-R86 VanDerWaalsContact CZ-O 3.24Å; R35-R86 VanDerWaalsContact NH1-C 3.26Å; R35-R86 PolarHBondContact NH1-O 3.24Å; R35-R86 PolarHBondContact NH2-O 3Å; R35-L87 PolarHBondContact NH1-O 3.12Å; R35-N88 WeakPolarHBondContact CB-OD1 3.3Å; R35-N88 PolarHBondContact N-OD1 3.27Å; R35-N88 PolarHBondContact O-ND2 3.39Å
36G91.7Very high80.3Confident33 Ų33112.9 Ų112.934%0.3452%0.521SS..THydrogen-bonded Turntrans78.6-4.1-179.300000114.6
37I94.5Very high82.9Confident7 Ų7104.4 Ų104.44%0.03648%0.481CS..EExtended strand (participates in β ladder)trans-104.6134.7-174.1-51.4-46.9000110.5Y34 R35 W45 A47 A69 A70Y34-I37 PolarHBondContact O-N 3.38Å; R35-I37 PolarHBondContact O-N 2.72Å; I37-W45 HydrophobicContact CG2-CB 4.18Å; I37-W45 HydrophobicContact CG2-CD2 4.4Å; I37-W45 HydrophobicContact CG2-CE3 3.64Å; I37-W45 HydrophobicContact CG2-CZ3 4.39Å; I37-A47 HydrophobicContact CD1-CB 3.8Å; I37-A69 HydrophobicContact CD1-CB 3.74Å; I37-A69 VanDerWaalsContact CD1-O 3.24Å; I37-A69 WeakPolarHBondContact CD1-O 3.24Å; I37-A69 HydrophobicContact CG1-CB 4.26Å; I37-A69 HydrophobicContact CG2-CB 3.86Å; I37-A70 HydrophobicContact CD1-CB 4.48Å; I37-A70 HydrophobicContact CG1-CB 4.01Å
38R93.4Very high85Confident82 Ų8297.9 Ų97.931%0.30945%0.451SS..EExtended strand (participates in β ladder)trans-130.4141.1175.162.6177.8-179.673.4-0.3111.2V46 E48R38-V46 HydrophobicContact CG-CB 4.09Å; R38-V46 PolarHBondContact N-O 2.92Å; R38-V46 PolarHBondContact O-N 3.3Å; R38-E48 IonicContact CZ-OE2 3.52Å; R38-E48 IonicContact NE-OE2 3.08Å; R38-E48 PolarHBondContact NE-OE2 3.01Å; R38-E48 VanDerWaalsContact NE-OE2 3.08Å; R38-E48 IonicContact NH2-OE2 3.56Å; R38-E48 PolarHBondContact NH2-OE2 3.32Å
39M93.4Very high87.2Confident91 Ų9189.7 Ų89.745%0.44841%0.413SS..EExtended strand (participates in β ladder)trans-90.8131171.6-169.9148.960.300109.9W45M39-W45 HydrophobicContact CB-CD2 4.44Å; M39-W45 HydrophobicContact CB-CE3 3.88Å; M39-W45 HydrophobicContact CB-CH2 4.19Å; M39-W45 HydrophobicContact CB-CZ3 3.77Å; M39-W45 HydrophobicContact CE-CH2 3.98Å; M39-W45 HydrophobicContact CE-CZ2 4.19Å; M39-W45 HydrophobicContact CG-CE3 4.49Å; M39-W45 HydrophobicContact CG-CZ3 4.49Å; M39-W45 HydrophobicContact SD-CD2 4.37Å; M39-W45 HydrophobicContact SD-CH2 3.71Å; M39-W45 HydrophobicContact SD-CZ2 3.46Å; M39-W45 WeakPolarHBondContact SD-CZ2 3.5Å; M39-W45 HydrophobicContact SD-CZ3 4.22Å
40R93.2Very high89.2Confident138 Ų13888.3 Ų88.352%0.52140%0.4SS..  trans-94.5156.2172.5-177.2169.4-82.5165-6.9109.7W42 G43 K44R40-W42 PolarHBondContact O-N 3.44Å; R40-G43 PolarHBondContact O-N 2.93Å; R40-K44 PolarHBondContact N-O 2.98Å; R40-K44 VanDerWaalsContact N-O 3.12Å
41K92.7Very high90.4Very high222 Ų22283.6 Ų83.697%0.96538%0.378SS*.THydrogen-bonded Turntrans-52.2-21.7175.568.7174.9-176.41740115.4G43K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 2.88Å
42W89.7Confident91.2Very high208 Ų20878.7 Ų78.779%0.78836%0.362SS*.THydrogen-bonded Turntrans-79.4-2.3175.2-175-110.4000113.7R40R40-W42 PolarHBondContact O-N 3.44Å
43G92.4Very high91.6Very high45 Ų4578.6 Ų78.646%0.46437%0.37SS..SBendtrans80.516.9178.600000114.9R40 K41R40-G43 PolarHBondContact O-N 2.93Å; K41-G43 VanDerWaalsContact C-N 3.26Å; K41-G43 PolarHBondContact O-N 2.88Å
44K94.3Very high91.7Very high85 Ų8581.6 Ų81.637%0.3738%0.377SS..  trans-103.4141.4172.9-63.4-66.7-175.4179.20111.3R40R40-K44 PolarHBondContact N-O 2.98Å; R40-K44 VanDerWaalsContact N-O 3.12Å
45W95.6Very high91.4Very high38 Ų3890.4 Ų90.414%0.14441%0.41CS..EExtended strand (participates in β ladder)trans-87.9125.9174.6-61.793.7000109.3P33 I37 M39 S62 Y63 A64 P66 A69P33-W45 HydrophobicContact CG-CH2 3.63Å; P33-W45 HydrophobicContact CG-CZ3 3.62Å; I37-W45 HydrophobicContact CG2-CB 4.18Å; I37-W45 HydrophobicContact CG2-CD2 4.4Å; I37-W45 HydrophobicContact CG2-CE3 3.64Å; I37-W45 HydrophobicContact CG2-CZ3 4.39Å; M39-W45 HydrophobicContact CB-CD2 4.44Å; M39-W45 HydrophobicContact CB-CE3 3.88Å; M39-W45 HydrophobicContact CB-CH2 4.19Å; M39-W45 HydrophobicContact CB-CZ3 3.77Å; M39-W45 HydrophobicContact CE-CH2 3.98Å; M39-W45 HydrophobicContact CE-CZ2 4.19Å; M39-W45 HydrophobicContact CG-CE3 4.49Å; M39-W45 HydrophobicContact CG-CZ3 4.49Å; M39-W45 HydrophobicContact SD-CD2 4.37Å; M39-W45 HydrophobicContact SD-CH2 3.71Å; M39-W45 HydrophobicContact SD-CZ2 3.46Å; M39-W45 WeakPolarHBondContact SD-CZ2 3.5Å; M39-W45 HydrophobicContact SD-CZ3 4.22Å; W45-S62 CarbonylContact O-C 3.52Å; W45-S62 VanDerWaalsContact O-CA 3.3Å; W45-S62 WeakPolarHBondContact O-CA 3.37Å; W45-Y63 PolarHBondContact N-O 3.47Å; W45-Y63 PolarHBondContact O-N 2.89Å; W45-A64 VanDerWaalsContact CD1-O 3.24Å; W45-P66 HydrophobicContact CD2-CB 3.72Å; W45-P66 HydrophobicContact CE3-CB 4.07Å; W45-P66 HydrophobicContact CG-CB 4.15Å; W45-P66 HydrophobicContact CH2-CB 4.23Å; W45-P66 HydrophobicContact CZ2-CB 3.95Å; W45-P66 HydrophobicContact CZ2-CG 4.18Å; W45-P66 HydrophobicContact CZ3-CB 4.3Å; W45-A69 HydrophobicContact CB-CB 3.84Å
46V95.3Very high91.3Very high4 Ų489.8 Ų89.82%0.02442%0.42CS..EExtended strand (participates in β ladder)trans-111.2132.5-177.7-177.30000109.9R38R38-V46 HydrophobicContact CG-CB 4.09Å; R38-V46 PolarHBondContact N-O 2.92Å; R38-V46 PolarHBondContact O-N 3.3Å
47A96.1Very high91.3Very high0 Ų094.8 Ų94.80%043%0.429CS..EExtended strand (participates in β ladder)trans-108.2127.3171.500000110.1I37 L60 G61 Y63 A69I37-A47 HydrophobicContact CD1-CB 3.8Å; A47-L60 HydrophobicContact CB-CB 4.14Å; A47-L60 HydrophobicContact CB-CD1 4.24Å; A47-L60 WeakPolarHBondContact O-CB 3.38Å; A47-L60 PolarHBondContact O-N 3.03Å; A47-G61 PolarHBondContact N-O 3.48Å; A47-G61 VanDerWaalsContact N-O 3.15Å; A47-Y63 HydrophobicContact CB-CE2 4.19Å; A47-A69 HydrophobicContact CB-CB 4.3Å; A47-A69 WeakPolarHBondContact CB-O 3.33Å
48E94.1Very high91.2Very high41 Ų4194.7 Ų94.719%0.19243%0.428CS..EExtended strand (participates in β ladder)trans-143.7149.2174.464-176-116.500110.1R38 R57 I58 Y73R38-E48 IonicContact CZ-OE2 3.52Å; R38-E48 IonicContact NE-OE2 3.08Å; R38-E48 PolarHBondContact NE-OE2 3.01Å; R38-E48 VanDerWaalsContact NE-OE2 3.08Å; R38-E48 IonicContact NH2-OE2 3.56Å; R38-E48 PolarHBondContact NH2-OE2 3.32Å; E48-R57 IonicContact OE1-CZ 3.8Å; E48-R57 IonicContact OE1-NH1 2.76Å; E48-R57 PolarHBondContact OE1-NH1 3.22Å; E48-I58 CarbonylContact C-O 3.6Å; E48-I58 VanDerWaalsContact CA-O 3.31Å; E48-I58 WeakPolarHBondContact CA-O 3.36Å; E48-Y73 WeakPolarHBondContact O-CE2 3.06Å
49I92.8Very high91.2Very high3 Ų397.7 Ų97.72%0.01544%0.439CS..EExtended strand (participates in β ladder)trans-127.7147.1179.3-171151.7000111.8R57 I58 L60 Y73 A76 V77 L80I49-R57 WeakPolarHBondContact O-CA 3.39Å; I49-I58 HydrophobicContact CG2-CB 3.77Å; I49-I58 HydrophobicContact CG2-CD1 4.06Å; I49-I58 HydrophobicContact CG2-CG1 4.33Å; I49-I58 PolarHBondContact N-O 3.43Å; I49-I58 PolarHBondContact O-N 3.08Å; I49-L60 HydrophobicContact CB-CD1 4.38Å; I49-L60 HydrophobicContact CG2-CD1 4.22Å; I49-L60 HydrophobicContact CG2-CD2 4.05Å; I49-L60 HydrophobicContact CG2-CG 4.31Å; I49-Y73 HydrophobicContact CB-CD2 4.46Å; I49-Y73 HydrophobicContact CB-CE2 4.12Å; I49-Y73 HydrophobicContact CD1-CE2 4.15Å; I49-Y73 HydrophobicContact CG1-CE2 4.24Å; I49-A76 HydrophobicContact CD1-CB 4.23Å; I49-A76 HydrophobicContact CG2-CB 4.16Å; I49-V77 HydrophobicContact CD1-CB 4.15Å; I49-V77 HydrophobicContact CD1-CG2 3.37Å; I49-L80 HydrophobicContact CB-CD1 4.5Å; I49-L80 HydrophobicContact CD1-CD1 3.57Å; I49-L80 HydrophobicContact CG1-CD1 3.72Å; I49-L80 HydrophobicContact CG2-CD1 3.94Å
50R91.4Very high91.3Very high153 Ų15393.4 Ų93.458%0.57742%0.418SS*.EExtended strand (participates in β ladder)trans-108122.9171.1-67.6-178.1-179.9176.50.9108.6R57R50-R57 HydrophobicContact CG-CG 4.17Å
51E85.3Confident91.5Very high30 Ų3087.2 Ų87.214%0.1440%0.397CS..  trans-71.1141172.2-65.3178-132.900109.9K54 I58 L80E51-K54 HydrophobicContact CB-CB 4.13Å; E51-K54 HydrophobicContact CB-CG 4.3Å; E51-K54 PolarHBondContact O-N 3.17Å; E51-K54 IonicContact OE1-NZ 2.78Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.36Å; E51-K54 VanDerWaalsContact OE2-CE 3.22Å; E51-K54 WeakPolarHBondContact OE2-CE 3.18Å; E51-K54 IonicContact OE2-NZ 2.78Å; E51-K54 PolarHBondContact OE2-NZ 3.35Å; E51-I58 HydrophobicContact CG-CD1 3.97Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.46Å; E51-L80 HydrophobicContact CG-CD1 3.92Å; E51-L80 HydrophobicContact CG-CD2 3.76Å
52P81.6Confident91.7Very high79 Ų7979.8 Ų79.851%0.51337%0.373SS..THydrogen-bonded Turntrans-60.7141.3166.328.5-32.3000108.9K54P52-K54 PolarHBondContact O-N 3.31Å
53N85.8Confident92Very high174 Ų17470.3 Ų70.393%0.9334%0.338SS*.THydrogen-bonded Turntrans71.8-3.3-179.6-45.8-38.7000116.9
54K86.7Confident92.1Very high120 Ų12069.9 Ų69.952%0.52233%0.33SS..  trans-114.3144.3173-57.9-161-173.71480112.1E51 P52E51-K54 HydrophobicContact CB-CB 4.13Å; E51-K54 HydrophobicContact CB-CG 4.3Å; E51-K54 PolarHBondContact O-N 3.17Å; E51-K54 IonicContact OE1-NZ 2.78Å; E51-K54 VanDerWaalsContact OE2-CD 3.29Å; E51-K54 WeakPolarHBondContact OE2-CD 3.36Å; E51-K54 VanDerWaalsContact OE2-CE 3.22Å; E51-K54 WeakPolarHBondContact OE2-CE 3.18Å; E51-K54 IonicContact OE2-NZ 2.78Å; E51-K54 PolarHBondContact OE2-NZ 3.35Å; P52-K54 PolarHBondContact O-N 3.31Å
55R87.8Confident92.1Very high251 Ų25166 Ų6695%0.94731%0.313SS*.SBendtrans-77-26.6171.9-170.2173.3-179176.50.1112.1
56S89Confident92.1Very high82 Ų8265.5 Ų65.557%0.57332%0.315SS*.  trans-67.4147.4-176.8-55.20000112.1
57R92.3Very high92.1Very high138 Ų13867 Ų6752%0.52132%0.323SS..EExtended strand (participates in β ladder)trans-107.6143.9172.8-53.2-169.6-171.6-175.913.8109.3E48 I49 R50E48-R57 IonicContact OE1-CZ 3.8Å; E48-R57 IonicContact OE1-NH1 2.76Å; E48-R57 PolarHBondContact OE1-NH1 3.22Å; I49-R57 WeakPolarHBondContact O-CA 3.39Å; R50-R57 HydrophobicContact CG-CG 4.17Å
58I92.6Very high92.1Very high4 Ų467 Ų672%0.02132%0.323CS..EExtended strand (participates in β ladder)trans-100.5116.6169.9-51.4166.2000107.4E48 I49 E51 L60 L80 A109 R113E48-I58 CarbonylContact C-O 3.6Å; E48-I58 VanDerWaalsContact CA-O 3.31Å; E48-I58 WeakPolarHBondContact CA-O 3.36Å; I49-I58 HydrophobicContact CG2-CB 3.77Å; I49-I58 HydrophobicContact CG2-CD1 4.06Å; I49-I58 HydrophobicContact CG2-CG1 4.33Å; I49-I58 PolarHBondContact N-O 3.43Å; I49-I58 PolarHBondContact O-N 3.08Å; E51-I58 HydrophobicContact CG-CD1 3.97Å; E51-I58 WeakPolarHBondContact OE1-CD1 3.46Å; I58-L60 HydrophobicContact CB-CD2 4.47Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-L80 HydrophobicContact CD1-CD1 4.38Å; I58-A109 HydrophobicContact CD1-CB 3.82Å; I58-A109 HydrophobicContact CG1-CB 4.1Å; I58-R113 HydrophobicContact CG2-CB 4.16Å; I58-R113 HydrophobicContact CG2-CG 4.49Å
59W94.2Very high92.3Very high145 Ų14565 Ų6555%0.54931%0.314SS..EExtended strand (participates in β ladder)trans-81116.4169.6173.251.6000109.4G61 R113W59-G61 PolarHBondContact NE1-O 3.46Å; W59-R113 WeakPolarHBondContact O-CG 3.33Å; W59-R113 PolarHBondContact O-NH1 2.81Å
60L95.4Very high92.4Very high1 Ų164.9 Ų64.91%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-90.1-33.2-173.4-56.3173.8000112A47 I49 I58 Y63 Y73 A76 A116 T117A47-L60 HydrophobicContact CB-CB 4.14Å; A47-L60 HydrophobicContact CB-CD1 4.24Å; A47-L60 WeakPolarHBondContact O-CB 3.38Å; A47-L60 PolarHBondContact O-N 3.03Å; I49-L60 HydrophobicContact CB-CD1 4.38Å; I49-L60 HydrophobicContact CG2-CD1 4.22Å; I49-L60 HydrophobicContact CG2-CD2 4.05Å; I49-L60 HydrophobicContact CG2-CG 4.31Å; I58-L60 HydrophobicContact CB-CD2 4.47Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; L60-Y63 PolarHBondContact O-OH 3.03Å; L60-Y73 HydrophobicContact CD1-CD2 4.33Å; L60-A76 HydrophobicContact CD1-CB 3.47Å; L60-A76 VanDerWaalsContact CD1-CB 3.47Å; L60-A76 HydrophobicContact CD2-CB 3.59Å; L60-A76 HydrophobicContact CG-CB 4.18Å; L60-A116 HydrophobicContact CB-CB 4.24Å; L60-A116 HydrophobicContact CD2-CB 3.89Å; L60-A116 HydrophobicContact CG-CB 4.44Å; L60-T117 PolarHBondContact O-OG1 2.88Å
61G96Very high92.6Very high8 Ų861.2 Ų61.28%0.08230%0.3CS..EExtended strand (participates in β ladder)trans160.1179.9175.900000113.1A47 W59A47-G61 PolarHBondContact N-O 3.48Å; A47-G61 VanDerWaalsContact N-O 3.15Å; W59-G61 PolarHBondContact NE1-O 3.46Å
62S96.7Very high93.2Very high66 Ų6659.8 Ų59.846%0.46229%0.293SS..EExtended strand (participates in β ladder)trans-128.9131.9168.856.30000108.9W45W45-S62 CarbonylContact O-C 3.52Å; W45-S62 VanDerWaalsContact O-CA 3.3Å; W45-S62 WeakPolarHBondContact O-CA 3.37Å
63Y96.7Very high93.9Very high10 Ų1057.3 Ų57.34%0.03927%0.274CS..EExtended strand (participates in β ladder)trans-127.5156.8-169.7-53.1-80.9000110.4W45 A47 L60 T65 A68 A69 A72 A116 G120 D124W45-Y63 PolarHBondContact N-O 3.47Å; W45-Y63 PolarHBondContact O-N 2.89Å; A47-Y63 HydrophobicContact CB-CE2 4.19Å; L60-Y63 PolarHBondContact O-OH 3.03Å; Y63-T65 VanDerWaalsContact C-N 3.31Å; Y63-A68 HydrophobicContact CD1-CB 4.13Å; Y63-A68 HydrophobicContact CG-CB 4.01Å; Y63-A69 HydrophobicContact CD2-CB 3.63Å; Y63-A69 HydrophobicContact CE2-CB 4.41Å; Y63-A69 HydrophobicContact CG-CB 4.36Å; Y63-A72 HydrophobicContact CE2-CB 3.71Å; Y63-A72 VanDerWaalsContact OH-CB 3.25Å; Y63-A72 WeakPolarHBondContact OH-CB 3.4Å; Y63-A116 PolarHBondContact OH-O 3.14Å; Y63-G120 VanDerWaalsContact CE1-CA 3.46Å; Y63-D124 HydrophobicContact CD1-CB 4.23Å
64A94.9Very high94.3Very high36 Ų3649.4 Ų49.430%0.29823%0.232SC..SBendtrans-72.5-29.8174.100000111.6W45 D124W45-A64 VanDerWaalsContact CD1-O 3.24Å; A64-D124 WeakPolarHBondContact CB-OD1 3.45Å; A64-D124 PolarHBondContact N-OD1 3.08Å; A64-D124 PolarHBondContact N-OD2 3.08Å
65T94.6Very high94.6Very high2 Ų245 Ų451%0.01221%0.214CC..SBendtrans-113145.6-173.663.50000112.6Y63 V67 A68 A69 D124 Q127Y63-T65 VanDerWaalsContact C-N 3.31Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 2.91Å; T65-A68 WeakPolarHBondContact OG1-CB 3.28Å; T65-A68 PolarHBondContact OG1-N 3.31Å; T65-A69 PolarHBondContact O-N 3.16Å; T65-D124 PolarHBondContact N-OD1 3.34Å; T65-D124 PolarHBondContact OG1-OD1 2.9Å; T65-Q127 VanDerWaalsContact CB-OE1 3.27Å; T65-Q127 HydrophobicContact CG2-CB 3.97Å; T65-Q127 VanDerWaalsContact CG2-CD 3.48Å; T65-Q127 HydrophobicContact CG2-CG 3.7Å; T65-Q127 PolarHBondContact OG1-OE1 2.82Å
66P95.1Very high94.9Very high29 Ų2933 Ų3319%0.18817%0.169CC..Hα-helixtrans-68.5-31.2178.527-32.6000111.7P33 Y34 W45 A69 A70P33-P66 HydrophobicContact CG-CB 3.88Å; Y34-P66 HydrophobicContact CD2-CB 3.92Å; Y34-P66 HydrophobicContact CE2-CB 3.87Å; Y34-P66 HydrophobicContact CE2-CG 4.28Å; W45-P66 HydrophobicContact CD2-CB 3.72Å; W45-P66 HydrophobicContact CE3-CB 4.07Å; W45-P66 HydrophobicContact CG-CB 4.15Å; W45-P66 HydrophobicContact CH2-CB 4.23Å; W45-P66 HydrophobicContact CZ2-CB 3.95Å; W45-P66 HydrophobicContact CZ2-CG 4.18Å; W45-P66 HydrophobicContact CZ3-CB 4.3Å; P66-A69 PolarHBondContact O-N 3.14Å; P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 3.07Å
67V95.5Very high95.1Very high34 Ų3429.1 Ų29.121%0.20614%0.142CC..Hα-helixtrans-67.8-45.1178.6-178.60000110.8Y34 T65 A69 A70 R71 F89 V123Y34-V67 HydrophobicContact CE2-CG2 4.1Å; T65-V67 VanDerWaalsContact C-N 3.28Å; T65-V67 PolarHBondContact O-N 2.91Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.92Å; V67-A70 PolarHBondContact O-N 2.96Å; V67-R71 HydrophobicContact CG1-CG 4.4Å; V67-R71 WeakPolarHBondContact O-CB 3.4Å; V67-R71 WeakPolarHBondContact O-CG 3.47Å; V67-R71 PolarHBondContact O-N 2.84Å; V67-F89 HydrophobicContact CG1-CE2 4.43Å; V67-F89 HydrophobicContact CG1-CZ 3.96Å; V67-V123 HydrophobicContact CG1-CG1 4.16Å
68A96.4Very high95Very high0 Ų024.9 Ų24.90%013%0.127CC..Hα-helixtrans-59.4-43.4175.900000112.1Y63 T65 R71 A72 G120 V123 D124Y63-A68 HydrophobicContact CD1-CB 4.13Å; Y63-A68 HydrophobicContact CG-CB 4.01Å; T65-A68 WeakPolarHBondContact OG1-CB 3.28Å; T65-A68 PolarHBondContact OG1-N 3.31Å; A68-R71 PolarHBondContact O-N 2.99Å; A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.42Å; A68-G120 WeakPolarHBondContact CB-O 3.49Å; A68-V123 HydrophobicContact CB-CB 3.81Å; A68-V123 HydrophobicContact CB-CG1 4.07Å; A68-D124 HydrophobicContact CB-CB 3.7Å
69A97Very high94.8Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-62.2-45.7175.900000111.7I37 W45 A47 Y63 T65 P66 V67 A72 Y73I37-A69 HydrophobicContact CD1-CB 3.74Å; I37-A69 VanDerWaalsContact CD1-O 3.24Å; I37-A69 WeakPolarHBondContact CD1-O 3.24Å; I37-A69 HydrophobicContact CG1-CB 4.26Å; I37-A69 HydrophobicContact CG2-CB 3.86Å; W45-A69 HydrophobicContact CB-CB 3.84Å; A47-A69 HydrophobicContact CB-CB 4.3Å; A47-A69 WeakPolarHBondContact CB-O 3.33Å; Y63-A69 HydrophobicContact CD2-CB 3.63Å; Y63-A69 HydrophobicContact CE2-CB 4.41Å; Y63-A69 HydrophobicContact CG-CB 4.36Å; T65-A69 PolarHBondContact O-N 3.16Å; P66-A69 PolarHBondContact O-N 3.14Å; V67-A69 VanDerWaalsContact C-N 3.3Å; V67-A69 PolarHBondContact O-N 2.92Å; A69-A72 PolarHBondContact O-N 3.11Å; A69-Y73 PolarHBondContact O-N 3.42Å
70A96.4Very high94.6Very high0 Ų022.1 Ų22.10%012%0.122CC..Hα-helixtrans-63.1-41178.200000112.6Y34 I37 P66 V67 Y73 D74 F89Y34-A70 HydrophobicContact CD1-CB 4.03Å; Y34-A70 HydrophobicContact CD2-CB 3.69Å; Y34-A70 HydrophobicContact CE2-CB 4.43Å; Y34-A70 HydrophobicContact CG-CB 3.47Å; Y34-A70 VanDerWaalsContact CG-CB 3.47Å; I37-A70 HydrophobicContact CD1-CB 4.48Å; I37-A70 HydrophobicContact CG1-CB 4.01Å; P66-A70 VanDerWaalsContact O-CB 3.31Å; P66-A70 WeakPolarHBondContact O-CB 3.46Å; P66-A70 PolarHBondContact O-N 3.07Å; V67-A70 PolarHBondContact O-N 2.96Å; A70-Y73 WeakPolarHBondContact O-CB 3.32Å; A70-Y73 PolarHBondContact O-N 2.74Å; A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 3.21Å; A70-F89 HydrophobicContact CB-CE2 3.54Å; A70-F89 HydrophobicContact CB-CZ 4.08Å
71R95.5Very high94.2Very high77 Ų7728.6 Ų28.629%0.29115%0.146SC..Hα-helixtrans-65.6-42175.6-74.5-166.954.6-156.64.1112.2V67 A68 Y73 D74 T75 F89 L92 V119 V123V67-R71 HydrophobicContact CG1-CG 4.4Å; V67-R71 WeakPolarHBondContact O-CB 3.4Å; V67-R71 WeakPolarHBondContact O-CG 3.47Å; V67-R71 PolarHBondContact O-N 2.84Å; A68-R71 PolarHBondContact O-N 2.99Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.17Å; R71-D74 PolarHBondContact O-N 2.9Å; R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 2.81Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å; R71-F89 HydrophobicContact CG-CD2 3.73Å; R71-F89 HydrophobicContact CG-CE2 3.65Å; R71-L92 HydrophobicContact CG-CD1 4.23Å; R71-V119 HydrophobicContact CB-CG1 4.09Å; R71-V123 HydrophobicContact CB-CG2 3.98Å; R71-V123 HydrophobicContact CG-CG2 4.38Å; R71-V123 VanDerWaalsContact CZ-CG2 3.44Å
72A96.3Very high93.7Very high0 Ų029.2 Ų29.20%015%0.153CC..Hα-helixtrans-60.8-41.6173.200000112Y63 A68 A69 A76 A116Y63-A72 HydrophobicContact CE2-CB 3.71Å; Y63-A72 VanDerWaalsContact OH-CB 3.25Å; Y63-A72 WeakPolarHBondContact OH-CB 3.4Å; A68-A72 WeakPolarHBondContact O-CB 3.31Å; A68-A72 PolarHBondContact O-N 3.42Å; A69-A72 PolarHBondContact O-N 3.11Å; A72-A76 PolarHBondContact O-N 3.46Å; A72-A76 VanDerWaalsContact O-N 3.14Å; A72-A116 HydrophobicContact CB-CB 4.35Å; A72-A116 VanDerWaalsContact CB-O 3.31Å; A72-A116 WeakPolarHBondContact CB-O 3.44Å; A72-A116 VanDerWaalsContact O-CB 3.3Å; A72-A116 WeakPolarHBondContact O-CB 3.48Å
73Y96.5Very high93.1Very high26 Ų2629.8 Ų29.810%0.10216%0.155CC..Hα-helixtrans-62.4-46.7175.7-178.1-98.8000112R35 E48 I49 L60 A69 A70 R71 T75 A76 V77R35-Y73 WeakPolarHBondContact O-CD1 3.48Å; E48-Y73 WeakPolarHBondContact O-CE2 3.06Å; I49-Y73 HydrophobicContact CB-CD2 4.46Å; I49-Y73 HydrophobicContact CB-CE2 4.12Å; I49-Y73 HydrophobicContact CD1-CE2 4.15Å; I49-Y73 HydrophobicContact CG1-CE2 4.24Å; L60-Y73 HydrophobicContact CD1-CD2 4.33Å; A69-Y73 PolarHBondContact O-N 3.42Å; A70-Y73 WeakPolarHBondContact O-CB 3.32Å; A70-Y73 PolarHBondContact O-N 2.74Å; R71-Y73 VanDerWaalsContact C-N 3.31Å; R71-Y73 PolarHBondContact O-N 3.17Å; Y73-T75 PolarHBondContact O-N 2.82Å; Y73-A76 PolarHBondContact O-N 2.84Å; Y73-A76 VanDerWaalsContact O-N 3.1Å; Y73-V77 HydrophobicContact CD1-CG2 3.76Å; Y73-V77 HydrophobicContact CD2-CG2 4.48Å; Y73-V77 HydrophobicContact CE1-CG2 3.36Å; Y73-V77 HydrophobicContact CE2-CG2 4.13Å; Y73-V77 HydrophobicContact CG-CG2 4.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.5Å; Y73-V77 PolarHBondContact O-N 2.91Å
74D94.8Very high92.5Very high9 Ų935 Ų355%0.04819%0.193CC..Hα-helixtrans-59.6-45.1178.8-82.54.6000112.3A70 R71 A76 V77 F78 L87 N88 F89A70-D74 WeakPolarHBondContact O-CB 3.34Å; A70-D74 PolarHBondContact O-N 3.21Å; R71-D74 PolarHBondContact O-N 2.9Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.33Å; D74-V77 PolarHBondContact O-N 3.28Å; D74-F78 WeakPolarHBondContact O-CB 3.35Å; D74-F78 PolarHBondContact O-N 3.4Å; D74-L87 HydrophobicContact CB-CB 4.35Å; D74-L87 HydrophobicContact CB-CD1 3.95Å; D74-L87 HydrophobicContact CB-CD2 4.42Å; D74-L87 HydrophobicContact CB-CG 4.5Å; D74-N88 VanDerWaalsContact CG-N 3.27Å; D74-N88 PolarHBondContact OD1-N 2.89Å; D74-N88 PolarHBondContact OD1-ND2 3.5Å; D74-N88 WeakPolarHBondContact OD2-CA 3.39Å; D74-N88 WeakPolarHBondContact OD2-CB 3.24Å; D74-N88 PolarHBondContact OD2-N 3.47Å; D74-F89 VanDerWaalsContact OD2-CD2 3.32Å; D74-F89 WeakPolarHBondContact OD2-CD2 3.14Å; D74-F89 PolarHBondContact OD2-N 3.48Å
75T93.2Very high92.2Very high26 Ų2634 Ų3416%0.1618%0.184CC..Hα-helixtrans-56.8-44.9172.7-56.50000111.2R71 Y73 F78 H79 K115 V119R71-T75 PolarHBondContact O-N 2.89Å; R71-T75 PolarHBondContact O-OG1 2.81Å; R71-T75 VanDerWaalsContact O-OG1 3.06Å; Y73-T75 PolarHBondContact O-N 2.82Å; T75-F78 PolarHBondContact O-N 3.46Å; T75-H79 PolarHBondContact O-N 3.22Å; T75-H79 PolarHBondContact O-ND1 2.92Å; T75-K115 HydrophobicContact CG2-CB 4.2Å; T75-V119 HydrophobicContact CG2-CG2 4.23Å
76A93.8Very high92Very high0 Ų043.1 Ų43.10%022%0.218CC..Hα-helixtrans-67.5-40.9179.400000112.9I49 L60 A72 Y73 D74 H79 L80 I112 A116I49-A76 HydrophobicContact CD1-CB 4.23Å; I49-A76 HydrophobicContact CG2-CB 4.16Å; L60-A76 HydrophobicContact CD1-CB 3.47Å; L60-A76 VanDerWaalsContact CD1-CB 3.47Å; L60-A76 HydrophobicContact CD2-CB 3.59Å; L60-A76 HydrophobicContact CG-CB 4.18Å; A72-A76 PolarHBondContact O-N 3.46Å; A72-A76 VanDerWaalsContact O-N 3.14Å; Y73-A76 PolarHBondContact O-N 2.84Å; Y73-A76 VanDerWaalsContact O-N 3.1Å; D74-A76 VanDerWaalsContact C-N 3.3Å; D74-A76 PolarHBondContact O-N 3.33Å; A76-H79 PolarHBondContact O-N 2.9Å; A76-L80 WeakPolarHBondContact O-CB 3.37Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.89Å; A76-L80 VanDerWaalsContact O-N 3.09Å; A76-I112 HydrophobicContact CB-CG2 3.76Å; A76-A116 HydrophobicContact CB-CB 4.27Å
77V92.6Very high91.9Very high0 Ų042.6 Ų42.60%021%0.214CC..Hα-helixtrans-62.1-44.4177.1172.10000110.8I49 Y73 D74 H79 L80 R81 A85 L87I49-V77 HydrophobicContact CD1-CB 4.15Å; I49-V77 HydrophobicContact CD1-CG2 3.37Å; Y73-V77 HydrophobicContact CD1-CG2 3.76Å; Y73-V77 HydrophobicContact CD2-CG2 4.48Å; Y73-V77 HydrophobicContact CE1-CG2 3.36Å; Y73-V77 HydrophobicContact CE2-CG2 4.13Å; Y73-V77 HydrophobicContact CG-CG2 4.31Å; Y73-V77 WeakPolarHBondContact O-CG2 3.5Å; Y73-V77 PolarHBondContact O-N 2.91Å; D74-V77 PolarHBondContact O-N 3.28Å; V77-H79 VanDerWaalsContact C-N 3.35Å; V77-H79 PolarHBondContact O-N 2.84Å; V77-L80 PolarHBondContact O-N 2.68Å; V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 PolarHBondContact O-N 2.99Å; V77-A85 HydrophobicContact CG1-CB 3.53Å; V77-L87 HydrophobicContact CB-CD2 3.64Å; V77-L87 HydrophobicContact CG1-CD2 3.38Å
78F90.9Very high91.8Very high49 Ų4942.6 Ų42.622%0.21521%0.213CC..Hα-helixtrans-57.7-46.6178.2179.8-98.9000111.6D74 T75 L80 G82 P83 L87 L93D74-F78 WeakPolarHBondContact O-CB 3.35Å; D74-F78 PolarHBondContact O-N 3.4Å; T75-F78 PolarHBondContact O-N 3.46Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3Å; F78-G82 CarbonylContact O-C 3.58Å; F78-G82 WeakPolarHBondContact O-CA 3.22Å; F78-G82 PolarHBondContact O-N 3.45Å; F78-P83 HydrophobicContact CE2-CB 4.23Å; F78-P83 HydrophobicContact CE2-CG 4.26Å; F78-P83 HydrophobicContact CZ-CG 4.49Å; F78-L87 HydrophobicContact CB-CD1 4.44Å; F78-L93 HydrophobicContact CB-CD2 4.36Å; F78-L93 HydrophobicContact CD2-CD1 3.88Å; F78-L93 HydrophobicContact CD2-CD2 3.38Å; F78-L93 HydrophobicContact CD2-CG 4.25Å; F78-L93 HydrophobicContact CE2-CD1 4.22Å; F78-L93 HydrophobicContact CE2-CD2 3.73Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; F78-L93 HydrophobicContact CG-CD2 3.93Å
79H89Confident91.5Very high50 Ų5044.8 Ų44.823%0.23122%0.222CC..Hα-helixtrans-72.7-23.4-180-68.980.9000113.8T75 A76 V77 M107 I112 K115T75-H79 PolarHBondContact O-N 3.22Å; T75-H79 PolarHBondContact O-ND1 2.92Å; A76-H79 PolarHBondContact O-N 2.9Å; V77-H79 VanDerWaalsContact C-N 3.35Å; V77-H79 PolarHBondContact O-N 2.84Å; H79-M107 PolarHBondContact CD2-SD 3.43Å; H79-I112 HydrophobicContact CB-CD1 4.16Å; H79-I112 HydrophobicContact CB-CG1 3.93Å; H79-I112 HydrophobicContact CB-CG2 4.45Å; H79-K115 WeakPolarHBondContact NE2-CD 3.03Å; H79-K115 PolarHBondContact NE2-NZ 3.33Å; H79-K115 VanDerWaalsContact NE2-NZ 3.12Å
80L89.2Confident91Very high42 Ų4249 Ų4922%0.2225%0.249CC..Hα-helixtrans-87.5-35.9178.4-76.3177.5000114I49 E51 I58 A76 V77 F78 I112I49-L80 HydrophobicContact CB-CD1 4.5Å; I49-L80 HydrophobicContact CD1-CD1 3.57Å; I49-L80 HydrophobicContact CG1-CD1 3.72Å; I49-L80 HydrophobicContact CG2-CD1 3.94Å; E51-L80 HydrophobicContact CG-CD1 3.92Å; E51-L80 HydrophobicContact CG-CD2 3.76Å; I58-L80 HydrophobicContact CD1-CD1 4.38Å; A76-L80 WeakPolarHBondContact O-CB 3.37Å; A76-L80 WeakPolarHBondContact O-CG 3.49Å; A76-L80 PolarHBondContact O-N 2.89Å; A76-L80 VanDerWaalsContact O-N 3.09Å; V77-L80 PolarHBondContact O-N 2.68Å; F78-L80 VanDerWaalsContact C-N 3.33Å; F78-L80 PolarHBondContact O-N 3Å; L80-I112 HydrophobicContact CD2-CD1 3.39Å; L80-I112 HydrophobicContact CG-CD1 3.79Å
81R88.2Confident90.4Very high137 Ų13755.5 Ų55.552%0.51728%0.28SS..Hα-helixtrans-112.3-13.4-172.8-64.4-176.6-173.5179.8-2.6113.3V77 A85V77-R81 WeakPolarHBondContact O-CB 3.37Å; V77-R81 PolarHBondContact O-N 2.99Å; R81-A85 HydrophobicContact CB-CB 3.64Å
82G85Confident89.6Confident21 Ų2154.7 Ų54.722%0.21628%0.281CS..  trans84.4-170.4-176.800000113.9F78 S84 A85F78-G82 CarbonylContact O-C 3.58Å; F78-G82 WeakPolarHBondContact O-CA 3.22Å; F78-G82 PolarHBondContact O-N 3.45Å; G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.32Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.04Å; G82-A85 VanDerWaalsContact O-N 3.16Å
83P83.1Confident88.2Confident78 Ų7856.2 Ų56.251%0.50629%0.289SS..THydrogen-bonded Turntrans-62.3-26.9-175.1-24.634.8000114.6F78 A85F78-P83 HydrophobicContact CE2-CB 4.23Å; F78-P83 HydrophobicContact CE2-CG 4.26Å; F78-P83 HydrophobicContact CZ-CG 4.49Å; P83-A85 PolarHBondContact O-N 3.16Å; P83-A85 VanDerWaalsContact O-N 3.1Å
84S84.4Confident86.5Confident120 Ų12058.7 Ų58.784%0.83931%0.31SS*.THydrogen-bonded Turntrans-74.44.7178.4-175.60000113.7G82G82-S84 VanDerWaalsContact C-N 3.25Å; G82-S84 PolarHBondContact O-N 3.32Å
85A88.6Confident84.6Confident14 Ų1464.4 Ų64.412%0.11634%0.337CS..  trans-75.9136.7-173.600000112.6V77 R81 G82 P83 L87V77-A85 HydrophobicContact CG1-CB 3.53Å; R81-A85 HydrophobicContact CB-CB 3.64Å; G82-A85 WeakPolarHBondContact O-CB 3.34Å; G82-A85 PolarHBondContact O-N 3.04Å; G82-A85 VanDerWaalsContact O-N 3.16Å; P83-A85 PolarHBondContact O-N 3.16Å; P83-A85 VanDerWaalsContact O-N 3.1Å; A85-L87 HydrophobicContact CB-CD2 4.06Å; A85-L87 PolarHBondContact O-N 3.42Å; A85-L87 VanDerWaalsContact O-N 3.17Å
86R90.1Very high82.8Confident193 Ų19368.3 Ų68.373%0.72836%0.356SS*.  trans-72.2109.1173.9-63.9178.867.1-1743.2109.9R35R35-R86 VanDerWaalsContact CZ-O 3.24Å; R35-R86 VanDerWaalsContact NH1-C 3.26Å; R35-R86 PolarHBondContact NH1-O 3.24Å; R35-R86 PolarHBondContact NH2-O 3Å
87L92.8Very high80.9Confident19 Ų1972.1 Ų72.110%0.09938%0.377CS..  trans-100.8174.1179.1-58.9-157.4000112.9R35 D74 V77 F78 A85 L93R35-L87 PolarHBondContact NH1-O 3.12Å; D74-L87 HydrophobicContact CB-CB 4.35Å; D74-L87 HydrophobicContact CB-CD1 3.95Å; D74-L87 HydrophobicContact CB-CD2 4.42Å; D74-L87 HydrophobicContact CB-CG 4.5Å; V77-L87 HydrophobicContact CB-CD2 3.64Å; V77-L87 HydrophobicContact CG1-CD2 3.38Å; F78-L87 HydrophobicContact CB-CD1 4.44Å; A85-L87 HydrophobicContact CB-CD2 4.06Å; A85-L87 PolarHBondContact O-N 3.42Å; A85-L87 VanDerWaalsContact O-N 3.17Å; L87-L93 HydrophobicContact CD1-CD1 3.35Å; L87-L93 HydrophobicContact CD1-CD2 3.56Å; L87-L93 HydrophobicContact CD1-CG 3.49Å; L87-L93 VanDerWaalsContact CD1-CG 3.49Å; L87-L93 HydrophobicContact CG-CD1 3.9Å; L87-L93 HydrophobicContact CG-CG 4.48Å
88N93.1Very high79Confident33 Ų3379.3 Ų79.318%0.17642%0.415CS..SBendtrans-81.6-36.6169.1-62.5-72.8000111.2Y34 R35 D74 P90Y34-N88 HydrophobicContact CD1-CB 4.2Å; R35-N88 WeakPolarHBondContact CB-OD1 3.3Å; R35-N88 PolarHBondContact N-OD1 3.27Å; R35-N88 PolarHBondContact O-ND2 3.39Å; D74-N88 VanDerWaalsContact CG-N 3.27Å; D74-N88 PolarHBondContact OD1-N 2.89Å; D74-N88 PolarHBondContact OD1-ND2 3.5Å; D74-N88 WeakPolarHBondContact OD2-CA 3.39Å; D74-N88 WeakPolarHBondContact OD2-CB 3.24Å; D74-N88 PolarHBondContact OD2-N 3.47Å; N88-P90 WeakPolarHBondContact O-CD 3.4Å
89F91.8Very high77.2Confident46 Ų4682.6 Ų82.620%0.20244%0.439CS..  trans-119.679.2179.9-52.4-74.5000110.6Y34 V67 A70 R71 D74 E91 L92Y34-F89 HydrophobicContact CD1-CZ 4.08Å; Y34-F89 AromaticContact CE1-CE1 3.92Å; Y34-F89 HydrophobicContact CE1-CE1 3.92Å; Y34-F89 AromaticContact CE1-CZ 3.61Å; Y34-F89 HydrophobicContact CE1-CZ 3.61Å; Y34-F89 AromaticContact CZ-CZ 3.92Å; V67-F89 HydrophobicContact CG1-CE2 4.43Å; V67-F89 HydrophobicContact CG1-CZ 3.96Å; A70-F89 HydrophobicContact CB-CE2 3.54Å; A70-F89 HydrophobicContact CB-CZ 4.08Å; R71-F89 HydrophobicContact CG-CD2 3.73Å; R71-F89 HydrophobicContact CG-CE2 3.65Å; D74-F89 VanDerWaalsContact OD2-CD2 3.32Å; D74-F89 WeakPolarHBondContact OD2-CD2 3.14Å; D74-F89 PolarHBondContact OD2-N 3.48Å; F89-E91 PolarHBondContact O-N 3.08Å; F89-L92 HydrophobicContact CB-CB 4.39Å; F89-L92 HydrophobicContact CB-CD1 3.62Å; F89-L92 HydrophobicContact CB-CG 3.86Å; F89-L92 HydrophobicContact CD2-CD1 4.38Å; F89-L92 HydrophobicContact CG-CD1 4.08Å; F89-L92 PolarHBondContact O-N 2.99Å
90P86.6Confident75.5Confident88 Ų8885.1 Ų85.157%0.57146%0.462SS*.THydrogen-bonded Turntrans-62.4-32.9-179.525.3-33.5000112.7N88 L92 L93N88-P90 WeakPolarHBondContact O-CD 3.4Å; P90-L92 PolarHBondContact O-N 3.16Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.08Å
91E83.9Confident73.8Confident138 Ų13885.7 Ų85.765%0.64547%0.468SS*.Hα-helixtrans-57.2-31.2179-169.865.2-169.600113.3F89 L93F89-E91 PolarHBondContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 3.04Å
92L77.2Confident72.1Confident59 Ų5988.3 Ų88.331%0.30949%0.486SS..Hα-helixtrans-74.9-20-177.8-62.4-179.3000112.6R71 F89 P90R71-L92 HydrophobicContact CG-CD1 4.23Å; F89-L92 HydrophobicContact CB-CB 4.39Å; F89-L92 HydrophobicContact CB-CD1 3.62Å; F89-L92 HydrophobicContact CB-CG 3.86Å; F89-L92 HydrophobicContact CD2-CD1 4.38Å; F89-L92 HydrophobicContact CG-CD1 4.08Å; F89-L92 PolarHBondContact O-N 2.99Å; P90-L92 PolarHBondContact O-N 3.16Å
93L67.8Low70.7Confident32 Ų3294.8 Ų94.817%0.16851%0.511CS..Hα-helixtrans-75-38.3177.7-69.1-176.1000112.2F78 L87 P90 E91 Q95 D96 D97F78-L93 HydrophobicContact CB-CD2 4.36Å; F78-L93 HydrophobicContact CD2-CD1 3.88Å; F78-L93 HydrophobicContact CD2-CD2 3.38Å; F78-L93 HydrophobicContact CD2-CG 4.25Å; F78-L93 HydrophobicContact CE2-CD1 4.22Å; F78-L93 HydrophobicContact CE2-CD2 3.73Å; F78-L93 HydrophobicContact CE2-CG 4.49Å; F78-L93 HydrophobicContact CG-CD2 3.93Å; L87-L93 HydrophobicContact CD1-CD1 3.35Å; L87-L93 HydrophobicContact CD1-CD2 3.56Å; L87-L93 HydrophobicContact CD1-CG 3.49Å; L87-L93 VanDerWaalsContact CD1-CG 3.49Å; L87-L93 HydrophobicContact CG-CD1 3.9Å; L87-L93 HydrophobicContact CG-CG 4.48Å; P90-L93 PolarHBondContact O-N 3.28Å; P90-L93 VanDerWaalsContact O-N 3.08Å; E91-L93 VanDerWaalsContact C-N 3.29Å; E91-L93 PolarHBondContact O-N 3.04Å; L93-Q95 PolarHBondContact O-N 3.24Å; L93-Q95 VanDerWaalsContact O-N 3.14Å; L93-D96 PolarHBondContact O-N 3.38Å; L93-D97 PolarHBondContact O-N 2.95Å
94S59.8Low69.4Low78 Ų7898.9 Ų98.955%0.54552%0.523SS..Hα-helixtrans-64-20-178.8-58.90000113.1D97S94-D97 WeakPolarHBondContact CA-OD2 3.3Å
95Q56.1Low68.4Low129 Ų12995.7 Ų95.760%0.60351%0.509SS*.THydrogen-bonded Turntrans-84.2-21.3176.5-63.5-173.6-34.900113.1L93L93-Q95 PolarHBondContact O-N 3.24Å; L93-Q95 VanDerWaalsContact O-N 3.14Å
96D54.8Low67.6Low108 Ų108105.3 Ų105.358%0.57855%0.548SS*.THydrogen-bonded Turntrans-96-7.1-176.3-72.6-29.1000112.7L93 D98 V99L93-D96 PolarHBondContact O-N 3.38Å; D96-D98 PolarHBondContact O-N 3.47Å; D96-D98 VanDerWaalsContact O-N 3.14Å; D96-V99 PolarHBondContact O-N 3.04Å
97D52.9Low67.2Low81 Ų8198 Ų9843%0.43352%0.523SS..THydrogen-bonded Turntrans-61.4-21.1-179.2-74.3-43.5000113L93 S94 T101L93-D97 PolarHBondContact O-N 2.95Å; S94-D97 WeakPolarHBondContact CA-OD2 3.3Å; D97-T101 PolarHBondContact O-OG1 3.48Å
98D53.2Low67.1Low150 Ų150100.5 Ų100.580%0.80254%0.542SS*.THydrogen-bonded Turntrans-87.2-12.2-178.9-76.6-48.8000115.4D96D96-D98 PolarHBondContact O-N 3.47Å; D96-D98 VanDerWaalsContact O-N 3.14Å
99V54Low67Low119 Ų119100.3 Ų100.372%0.72154%0.544SS*.THydrogen-bonded Turntrans-127.4-10.2-167-159.80000116.2D96D96-V99 PolarHBondContact O-N 3.04Å
100S52.1Low67.1Low102 Ų102103.1 Ų103.171%0.71356%0.562SS**SBendtrans-156.212.5-178.1-76.60000117.8Q102S100-Q102 PolarHBondContact O-N 2.79Å
101T54.6Low67.4Low55 Ų55101.1 Ų101.134%0.33755%0.549SS..THydrogen-bonded Turntrans-63-7.9-175.8-51.50000114.7D97D97-T101 PolarHBondContact O-OG1 3.48Å
102Q53Low67.8Low192 Ų19294.6 Ų94.690%0.89752%0.519SS*.THydrogen-bonded Turntrans-93.72.4-171.4-68.3-167.1-15.400117.1S100S100-Q102 PolarHBondContact O-N 2.79Å
103Q54.5Low68.6Low157 Ų15795.3 Ų95.373%0.73452%0.518SS*.  trans-108.564.8168.6-66.8-170.116.900111.7G105 M107Q103-G105 PolarHBondContact O-N 3.33Å; Q103-M107 HydrophobicContact CB-CE 4.42Å
104Q56Low69.9Low164 Ų164101.6 Ų101.677%0.76654%0.544SS*.  trans-71.729.3170.3-67.9-178.6-16.500113.4
105G62.9Low71.6Confident52 Ų52101.2 Ų101.254%0.53653%0.532SS..SBendtrans-78.5134.5165.700000109.2Q103 M107Q103-G105 PolarHBondContact O-N 3.33Å; G105-M107 PolarHBondContact O-N 3.22Å
106K71.8Confident73.4Confident216 Ų21695 Ų9594%0.93950%0.503SS*.  trans-52.599.4172.1-68.3175.6-178172.90109
107M82.3Confident75.4Confident41 Ų4192.7 Ų92.720%0.20249%0.493CS..  trans-64.6144.2-178.9-68.3-167.9-174.200109.7H79 Q103 G105 I112 K115H79-M107 PolarHBondContact CD2-SD 3.43Å; Q103-M107 HydrophobicContact CB-CE 4.42Å; G105-M107 PolarHBondContact O-N 3.22Å; M107-I112 HydrophobicContact CB-CD1 4.23Å; M107-I112 HydrophobicContact CB-CG1 3.76Å; M107-K115 HydrophobicContact SD-CD 4.13Å; M107-K115 PolarHBondContact SD-NZ 2.9Å
108S90.7Very high77.4Confident71 Ų7195.6 Ų95.650%0.49750%0.504SS..  trans-62.6152.6174.367.90000110.6D110 S111 I112S108-D110 PolarHBondContact O-N 3.2Å; S108-D110 VanDerWaalsContact O-N 3.13Å; S108-S111 WeakPolarHBondContact O-CB 3.49Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 WeakPolarHBondContact OG-CB 3.31Å; S108-S111 PolarHBondContact OG-N 2.82Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.86Å
109A90.9Very high79.4Confident28 Ų2890.1 Ų90.123%0.23148%0.476CS..Hα-helixtrans-54.3-34.9179.200000112.5I58 R113I58-A109 HydrophobicContact CD1-CB 3.82Å; I58-A109 HydrophobicContact CG1-CB 4.1Å; A109-R113 WeakPolarHBondContact O-CB 3.25Å; A109-R113 PolarHBondContact O-N 2.89Å
110D93.1Very high81.5Confident106 Ų10684.4 Ų84.457%0.56744%0.441SS*.Hα-helixtrans-73.5-36.1178.2-60.3-46.9000112.9S108 R113 K114S108-D110 PolarHBondContact O-N 3.2Å; S108-D110 VanDerWaalsContact O-N 3.13Å; D110-R113 PolarHBondContact O-N 2.97Å; D110-R113 IonicContact OD1-NE 3.02Å; D110-R113 IonicContact OD1-NH2 3.67Å; D110-K114 WeakPolarHBondContact O-CB 3.47Å; D110-K114 PolarHBondContact O-N 2.95Å
111S93.7Very high83.5Confident45 Ų4582 Ų8232%0.31543%0.428SS..Hα-helixtrans-64.4-44172.5-176.20000111.1S108 R113 K114 K115S108-S111 WeakPolarHBondContact O-CB 3.49Å; S108-S111 PolarHBondContact O-N 3.12Å; S108-S111 WeakPolarHBondContact OG-CB 3.31Å; S108-S111 PolarHBondContact OG-N 2.82Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 2.96Å; S111-K114 PolarHBondContact O-N 3.16Å; S111-K115 PolarHBondContact O-N 3.1Å
112I92.3Very high85.5Confident2 Ų288.2 Ų88.21%0.0145%0.445CS..Hα-helixtrans-60.8-45.7175.6-64.1176.5000110.6A76 H79 L80 M107 S108 K115 A116A76-I112 HydrophobicContact CB-CG2 3.76Å; H79-I112 HydrophobicContact CB-CD1 4.16Å; H79-I112 HydrophobicContact CB-CG1 3.93Å; H79-I112 HydrophobicContact CB-CG2 4.45Å; L80-I112 HydrophobicContact CD2-CD1 3.39Å; L80-I112 HydrophobicContact CG-CD1 3.79Å; M107-I112 HydrophobicContact CB-CD1 4.23Å; M107-I112 HydrophobicContact CB-CG1 3.76Å; S108-I112 WeakPolarHBondContact O-CG1 3.21Å; S108-I112 PolarHBondContact O-N 2.86Å; I112-K115 PolarHBondContact O-N 3.1Å; I112-A116 VanDerWaalsContact O-CB 3.32Å; I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.47Å
113R94.8Very high87.5Confident74 Ų7479.6 Ų79.628%0.27941%0.405SS..Hα-helixtrans-58.5-51175.4-171.2-167.1-42.3-974.5111.1I58 W59 A109 D110 S111 K115 A116 T117I58-R113 HydrophobicContact CG2-CB 4.16Å; I58-R113 HydrophobicContact CG2-CG 4.49Å; W59-R113 WeakPolarHBondContact O-CG 3.33Å; W59-R113 PolarHBondContact O-NH1 2.81Å; A109-R113 WeakPolarHBondContact O-CB 3.25Å; A109-R113 PolarHBondContact O-N 2.89Å; D110-R113 PolarHBondContact O-N 2.97Å; D110-R113 IonicContact OD1-NE 3.02Å; D110-R113 IonicContact OD1-NH2 3.67Å; S111-R113 VanDerWaalsContact C-N 3.35Å; S111-R113 PolarHBondContact O-N 2.96Å; R113-K115 VanDerWaalsContact C-N 3.35Å; R113-K115 PolarHBondContact O-N 3.23Å; R113-A116 PolarHBondContact O-N 3.38Å; R113-T117 WeakPolarHBondContact O-CB 3.47Å; R113-T117 PolarHBondContact O-N 3.14Å; R113-T117 PolarHBondContact O-OG1 3.36Å
114K95.2Very high89.5Confident164 Ų16473.4 Ų73.471%0.71338%0.377SS*.Hα-helixtrans-56.4-47.6-178.5-174.2177.2-179.5179.40111.5D110 S111 T117 Q118D110-K114 WeakPolarHBondContact O-CB 3.47Å; D110-K114 PolarHBondContact O-N 2.95Å; S111-K114 PolarHBondContact O-N 3.16Å; K114-T117 PolarHBondContact O-N 3.23Å; K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 2.74Å
115K93.9Very high91.3Very high69 Ų6968.5 Ų68.530%0.337%0.365SS..Hα-helixtrans-62.3-48.4176.6-75.7-173.9169.6-1730112.3T75 H79 M107 S111 I112 R113 T117 Q118 V119T75-K115 HydrophobicContact CG2-CB 4.2Å; H79-K115 WeakPolarHBondContact NE2-CD 3.03Å; H79-K115 PolarHBondContact NE2-NZ 3.33Å; H79-K115 VanDerWaalsContact NE2-NZ 3.12Å; M107-K115 HydrophobicContact SD-CD 4.13Å; M107-K115 PolarHBondContact SD-NZ 2.9Å; S111-K115 PolarHBondContact O-N 3.1Å; I112-K115 PolarHBondContact O-N 3.1Å; R113-K115 VanDerWaalsContact C-N 3.35Å; R113-K115 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact C-N 3.34Å; K115-T117 PolarHBondContact O-N 3.49Å; K115-Q118 PolarHBondContact O-N 3.01Å; K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 3.26Å
116A94.8Very high92.8Very high0 Ų070.8 Ų70.80%036%0.364CS..Hα-helixtrans-61.6-41.7178.600000112.1L60 Y63 A72 A76 I112 R113 V119 G120L60-A116 HydrophobicContact CB-CB 4.24Å; L60-A116 HydrophobicContact CD2-CB 3.89Å; L60-A116 HydrophobicContact CG-CB 4.44Å; Y63-A116 PolarHBondContact OH-O 3.14Å; A72-A116 HydrophobicContact CB-CB 4.35Å; A72-A116 VanDerWaalsContact CB-O 3.31Å; A72-A116 WeakPolarHBondContact CB-O 3.44Å; A72-A116 VanDerWaalsContact O-CB 3.3Å; A72-A116 WeakPolarHBondContact O-CB 3.48Å; A76-A116 HydrophobicContact CB-CB 4.27Å; I112-A116 VanDerWaalsContact O-CB 3.32Å; I112-A116 WeakPolarHBondContact O-CB 3.31Å; I112-A116 PolarHBondContact O-N 3.47Å; R113-A116 PolarHBondContact O-N 3.38Å; A116-V119 PolarHBondContact O-N 3.33Å; A116-G120 PolarHBondContact O-N 3.34Å
117T96.4Very high93.8Very high59 Ų5962.8 Ų62.836%0.36233%0.33SS..Hα-helixtrans-62.1-46.1175.6-57.80000111L60 R113 K114 K115 G120 A121L60-T117 PolarHBondContact O-OG1 2.88Å; R113-T117 WeakPolarHBondContact O-CB 3.47Å; R113-T117 PolarHBondContact O-N 3.14Å; R113-T117 PolarHBondContact O-OG1 3.36Å; K114-T117 PolarHBondContact O-N 3.23Å; K115-T117 VanDerWaalsContact C-N 3.34Å; K115-T117 PolarHBondContact O-N 3.49Å; T117-G120 PolarHBondContact O-N 3.46Å; T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.91Å
118Q96Very high94.2Very high141 Ų14162.8 Ų62.866%0.65933%0.332SS*.Hα-helixtrans-59.6-48.7177.9-176.1-176.715.700111.9K114 K115 A121 R122K114-Q118 WeakPolarHBondContact O-CB 3.34Å; K114-Q118 PolarHBondContact O-N 2.74Å; K115-Q118 PolarHBondContact O-N 3.01Å; Q118-A121 PolarHBondContact O-N 3.43Å; Q118-R122 PolarHBondContact O-N 3Å; Q118-R122 VanDerWaalsContact O-N 3.08Å
119V95.4Very high94.2Very high35 Ų3561.7 Ų61.721%0.21233%0.327CS..Hα-helixtrans-59.3-55.8177.3171.80000109.5R71 T75 K115 A116 A121 R122 V123R71-V119 HydrophobicContact CB-CG1 4.09Å; T75-V119 HydrophobicContact CG2-CG2 4.23Å; K115-V119 WeakPolarHBondContact O-CG2 3.48Å; K115-V119 PolarHBondContact O-N 3.26Å; A116-V119 PolarHBondContact O-N 3.33Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.45Å; V119-R122 PolarHBondContact O-N 3Å; V119-R122 VanDerWaalsContact O-N 3.16Å; V119-V123 HydrophobicContact CG1-CG2 4.2Å; V119-V123 WeakPolarHBondContact O-CG2 3.32Å; V119-V123 PolarHBondContact O-N 3.06Å
120G96.4Very high94.2Very high0 Ų066 Ų660%035%0.346CS..Hα-helixtrans-56.2-44.1-178.600000112.9Y63 A68 A116 T117 R122 V123 D124Y63-G120 VanDerWaalsContact CE1-CA 3.46Å; A68-G120 WeakPolarHBondContact CB-O 3.49Å; A116-G120 PolarHBondContact O-N 3.34Å; T117-G120 PolarHBondContact O-N 3.46Å; G120-R122 PolarHBondContact O-N 3.27Å; G120-V123 PolarHBondContact O-N 2.97Å; G120-D124 WeakPolarHBondContact O-CB 3.37Å; G120-D124 PolarHBondContact O-N 2.83Å
121A95.7Very high93.7Very high51 Ų5166 Ų6642%0.42134%0.342SS..Hα-helixtrans-62.5-42.9178.700000112.1T117 Q118 V119 V123 D124 A125T117-A121 WeakPolarHBondContact O-CB 3.46Å; T117-A121 PolarHBondContact O-N 2.91Å; Q118-A121 PolarHBondContact O-N 3.43Å; V119-A121 VanDerWaalsContact C-N 3.33Å; V119-A121 PolarHBondContact O-N 3.45Å; A121-V123 PolarHBondContact O-N 3.44Å; A121-D124 PolarHBondContact O-N 2.95Å; A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.48Å
122R95.4Very high93.2Very high186 Ų18669.2 Ų69.270%0.70235%0.353SS*.Hα-helixtrans-61.4-44.3175.4-178.7179.8174.7-173.3-1.5111.5Q118 V119 G120 L126Q118-R122 PolarHBondContact O-N 3Å; Q118-R122 VanDerWaalsContact O-N 3.08Å; V119-R122 PolarHBondContact O-N 3Å; V119-R122 VanDerWaalsContact O-N 3.16Å; G120-R122 PolarHBondContact O-N 3.27Å; R122-L126 HydrophobicContact CG-CD1 4.31Å; R122-L126 WeakPolarHBondContact O-CG 3.39Å; R122-L126 PolarHBondContact O-N 2.94Å; R122-L126 VanDerWaalsContact O-N 3.16Å
123V95.5Very high92.5Very high10 Ų1071.8 Ų71.86%0.06137%0.371CS..Hα-helixtrans-64.8-45.3179-167.10000111.1V67 A68 R71 V119 G120 A121 A125 L126 Q127V67-V123 HydrophobicContact CG1-CG1 4.16Å; A68-V123 HydrophobicContact CB-CB 3.81Å; A68-V123 HydrophobicContact CB-CG1 4.07Å; R71-V123 HydrophobicContact CB-CG2 3.98Å; R71-V123 HydrophobicContact CG-CG2 4.38Å; R71-V123 VanDerWaalsContact CZ-CG2 3.44Å; V119-V123 HydrophobicContact CG1-CG2 4.2Å; V119-V123 WeakPolarHBondContact O-CG2 3.32Å; V119-V123 PolarHBondContact O-N 3.06Å; G120-V123 PolarHBondContact O-N 2.97Å; A121-V123 PolarHBondContact O-N 3.44Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.5Å; V123-L126 PolarHBondContact O-N 3.03Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 PolarHBondContact O-N 3.15Å
124D95.8Very high91.2Very high28 Ų2872.5 Ų72.515%0.1539%0.387CS..Hα-helixtrans-63.9-42.1-176.7-15350.3000110.6Y63 A64 T65 A68 G120 A121 T128Y63-D124 HydrophobicContact CD1-CB 4.23Å; A64-D124 WeakPolarHBondContact CB-OD1 3.45Å; A64-D124 PolarHBondContact N-OD1 3.08Å; A64-D124 PolarHBondContact N-OD2 3.08Å; T65-D124 PolarHBondContact N-OD1 3.34Å; T65-D124 PolarHBondContact OG1-OD1 2.9Å; A68-D124 HydrophobicContact CB-CB 3.7Å; G120-D124 WeakPolarHBondContact O-CB 3.37Å; G120-D124 PolarHBondContact O-N 2.83Å; A121-D124 PolarHBondContact O-N 2.95Å; D124-T128 WeakPolarHBondContact O-CB 3.5Å; D124-T128 PolarHBondContact O-N 2.88Å; D124-T128 PolarHBondContact O-OG1 3.09Å
125A94.9Very high89.5Confident61 Ų6168.7 Ų68.750%0.50438%0.381SS..Hα-helixtrans-60.4-49.317500000111.9A121 V123 T128 A129A121-A125 WeakPolarHBondContact O-CB 3.38Å; A121-A125 PolarHBondContact O-N 3.48Å; V123-A125 VanDerWaalsContact C-N 3.33Å; V123-A125 PolarHBondContact O-N 3.5Å; A125-T128 PolarHBondContact O-N 3.41Å; A125-A129 VanDerWaalsContact O-CB 3.28Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.45Å
126L94.5Very high87.7Confident99 Ų9968.5 Ų68.552%0.51839%0.386SS..Hα-helixtrans-62.7-45.9179.5-70.5173.9000112R122 V123 A129 L130R122-L126 HydrophobicContact CG-CD1 4.31Å; R122-L126 WeakPolarHBondContact O-CG 3.39Å; R122-L126 PolarHBondContact O-N 2.94Å; R122-L126 VanDerWaalsContact O-N 3.16Å; V123-L126 PolarHBondContact O-N 3.03Å; L126-A129 PolarHBondContact O-N 3.42Å; L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.82Å
127Q92.7Very high85.6Confident49 Ų4977.1 Ų77.123%0.22943%0.426CS..Hα-helixtrans-71.1-35.7-177.7-171.3171.3-3.500112.1T65 V123 L130 Q131T65-Q127 VanDerWaalsContact CB-OE1 3.27Å; T65-Q127 HydrophobicContact CG2-CB 3.97Å; T65-Q127 VanDerWaalsContact CG2-CD 3.48Å; T65-Q127 HydrophobicContact CG2-CG 3.7Å; T65-Q127 PolarHBondContact OG1-OE1 2.82Å; V123-Q127 WeakPolarHBondContact O-CB 3.36Å; V123-Q127 PolarHBondContact O-N 3.15Å; Q127-L130 PolarHBondContact O-N 3.25Å; Q127-Q131 WeakPolarHBondContact O-CG 3.41Å; Q127-Q131 PolarHBondContact O-N 3.34Å; Q127-Q131 VanDerWaalsContact O-N 3.12Å
128T90.9Very high83.6Confident40 Ų4079.3 Ų79.325%0.24544%0.443CS..Hα-helixtrans-66.2-41173-560000110.9D124 A125 L130 Q131 Q132D124-T128 WeakPolarHBondContact O-CB 3.5Å; D124-T128 PolarHBondContact O-N 2.88Å; D124-T128 PolarHBondContact O-OG1 3.09Å; A125-T128 PolarHBondContact O-N 3.41Å; T128-L130 PolarHBondContact O-N 3.22Å; T128-Q131 PolarHBondContact O-N 2.97Å; T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.47Å
129A91Very high81.7Confident48 Ų4879 Ų7940%0.39745%0.445SS..Hα-helixtrans-62.9-39.3176.400000112.4A125 L126 Q132 S133A125-A129 VanDerWaalsContact O-CB 3.28Å; A125-A129 WeakPolarHBondContact O-CB 3.42Å; A125-A129 PolarHBondContact O-N 3.45Å; L126-A129 PolarHBondContact O-N 3.42Å; A129-Q132 PolarHBondContact O-N 3.02Å; A129-S133 PolarHBondContact O-N 3.45Å; A129-S133 PolarHBondContact O-OG 3.22Å
130L89.2Confident79.5Confident120 Ų12082.6 Ų82.663%0.62847%0.472SS*.Hα-helixtrans-65.6-36.8174.7-71.1170.1000112.7L126 Q127 T128 S133 S134L126-L130 WeakPolarHBondContact O-CG 3.4Å; L126-L130 PolarHBondContact O-N 2.82Å; Q127-L130 PolarHBondContact O-N 3.25Å; T128-L130 PolarHBondContact O-N 3.22Å; L130-S133 PolarHBondContact O-OG 3.12Å; L130-S134 PolarHBondContact O-N 3.38Å
131Q84.4Confident77.3Confident104 Ų10488 Ų8849%0.48651%0.51SS..Hα-helixtrans-67.7-40.8174-71173.46.200110.9Q127 T128 S134 S135Q127-Q131 WeakPolarHBondContact O-CG 3.41Å; Q127-Q131 PolarHBondContact O-N 3.34Å; Q127-Q131 VanDerWaalsContact O-N 3.12Å; T128-Q131 PolarHBondContact O-N 2.97Å; Q131-S134 PolarHBondContact O-N 2.93Å; Q131-S134 PolarHBondContact O-OG 3.35Å; Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 3.29Å
132Q81.9Confident75.1Confident113 Ų11390.4 Ų90.453%0.52852%0.523SS..Hα-helixtrans-62.3-48.6175.5-73.3174.1-900111.4T128 A129 S134 S135 T136T128-Q132 WeakPolarHBondContact O-CG 3.32Å; T128-Q132 PolarHBondContact O-N 3.47Å; A129-Q132 PolarHBondContact O-N 3.02Å; Q132-S134 VanDerWaalsContact C-N 3.29Å; Q132-S134 PolarHBondContact O-N 2.97Å; Q132-S135 CarbonylContact O-C 3.52Å; Q132-S135 WeakPolarHBondContact O-CA 3.47Å; Q132-S135 PolarHBondContact O-N 2.97Å; Q132-S135 PolarHBondContact O-OG 3.05Å; Q132-T136 WeakPolarHBondContact O-CB 3.36Å; Q132-T136 WeakPolarHBondContact O-CG2 3.29Å; Q132-T136 PolarHBondContact O-N 3.01Å; Q132-T136 PolarHBondContact O-OG1 3.02Å
133S77.3Confident73.1Confident57 Ų5789 Ų8940%0.39952%0.524SS..Hα-helixtrans-60.2-36.8-179.664.20000113.1A129 L130 S135 T136A129-S133 PolarHBondContact O-N 3.45Å; A129-S133 PolarHBondContact O-OG 3.22Å; L130-S133 PolarHBondContact O-OG 3.12Å; S133-S135 PolarHBondContact O-N 2.96Å; S133-T136 WeakPolarHBondContact CA-OG1 3.36Å; S133-T136 PolarHBondContact O-N 2.8Å
134S67.8Low71.1Confident89 Ų8992.9 Ų92.962%0.62255%0.548SS*.Hα-helixtrans-65.4-24174.670.20000113.7L130 Q131 Q132L130-S134 PolarHBondContact O-N 3.38Å; Q131-S134 PolarHBondContact O-N 2.93Å; Q131-S134 PolarHBondContact O-OG 3.35Å; Q132-S134 VanDerWaalsContact C-N 3.29Å; Q132-S134 PolarHBondContact O-N 2.97Å
135S59.6Low69Low83 Ų8395.9 Ų95.958%0.5857%0.571SS**Hα-helixtrans-96.8-12.4177.262.80000114.3Q131 Q132 S133Q131-S135 PolarHBondContact O-N 3.49Å; Q131-S135 PolarHBondContact O-OG 3.29Å; Q132-S135 CarbonylContact O-C 3.52Å; Q132-S135 WeakPolarHBondContact O-CA 3.47Å; Q132-S135 PolarHBondContact O-N 2.97Å; Q132-S135 PolarHBondContact O-OG 3.05Å; S133-S135 PolarHBondContact O-N 2.96Å
136T56.4Low66.6Low66 Ų66102.4 Ų102.441%0.40558%0.584SS.*  trans-116.529.6-169.959.10000115.1Q132 S133 S138 I139Q132-T136 WeakPolarHBondContact O-CB 3.36Å; Q132-T136 WeakPolarHBondContact O-CG2 3.29Å; Q132-T136 PolarHBondContact O-N 3.01Å; Q132-T136 PolarHBondContact O-OG1 3.02Å; S133-T136 WeakPolarHBondContact CA-OG1 3.36Å; S133-T136 PolarHBondContact O-N 2.8Å; T136-S138 PolarHBondContact O-N 3.45Å; T136-I139 PolarHBondContact O-N 2.76Å
137H51.3Low65Low181 Ų181106.3 Ų106.384%0.83860%0.599SS**THydrogen-bonded Turntrans-63.720.5162.3-76.6-61.2000114.2
138S54.4Low63.8Low104 Ų104113.1 Ų113.173%0.72763%0.628SS**THydrogen-bonded Turntrans-143.65.3-179.354.30000116.2T136T136-S138 PolarHBondContact O-N 3.45Å
139I56.3Low62.7Low135 Ų135116.1 Ų116.169%0.69265%0.648SS**SBendtrans-133.8115.5176.7-55179.4000111.4T136T136-I139 PolarHBondContact O-N 2.76Å
140S49Very low61.8Low110 Ų110118.6 Ų118.677%0.76966%0.655SS**  trans-46.6134.6179.2-157.90000113.5S142S140-S142 VanDerWaalsContact C-N 3.31Å; S140-S142 PolarHBondContact O-N 2.9Å
141S49Very low61.2Low115 Ų115120.7 Ų120.780%0.80467%0.666SS**  trans-66.484.8170.9168.70000110.1H143S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 2.76Å
142S49.7Very low60.8Low100 Ų100122 Ų12270%0.69968%0.677SS**  trans-72.593.2162.957.20000108.2S140 V144S140-S142 VanDerWaalsContact C-N 3.31Å; S140-S142 PolarHBondContact O-N 2.9Å; S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.98Å
143H53.4Low60.7Low157 Ų157122.3 Ų122.373%0.72768%0.678SS**  trans-62.294.1165.7178.3-84.9000108S141 S145S141-H143 VanDerWaalsContact C-N 3.33Å; S141-H143 PolarHBondContact O-N 2.76Å; H143-S145 PolarHBondContact O-N 2.79Å; H143-S145 VanDerWaalsContact O-N 3.11Å
144V54Low60.7Low91 Ų91129.4 Ų129.455%0.55270%0.697SS**  trans-73.799.9165.3-172.20000105.6S142 Y146S142-V144 VanDerWaalsContact C-N 3.3Å; S142-V144 PolarHBondContact O-N 2.98Å; V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 HydrophobicContact CB-CD2 4.46Å; V144-Y146 HydrophobicContact CB-CE2 4.1Å; V144-Y146 HydrophobicContact CG1-CD2 4.17Å; V144-Y146 HydrophobicContact CG1-CE2 3.79Å; V144-Y146 PolarHBondContact O-N 3.31Å
145S51.6Low61Low91 Ų91130.8 Ų130.864%0.63670%0.704SS**  trans-62.896167.143.70000108.1H143 E147H143-S145 PolarHBondContact O-N 2.79Å; H143-S145 VanDerWaalsContact O-N 3.11Å; S145-E147 PolarHBondContact O-N 3.02Å
146Y45.2Very low61.9Low198 Ų198134.3 Ų134.378%0.77671%0.709SS**  trans-74.2102.8156.6-70-82.3000106V144 K148V144-Y146 VanDerWaalsContact C-N 3.32Å; V144-Y146 HydrophobicContact CB-CD2 4.46Å; V144-Y146 HydrophobicContact CB-CE2 4.1Å; V144-Y146 HydrophobicContact CG1-CD2 4.17Å; V144-Y146 HydrophobicContact CG1-CE2 3.79Å; V144-Y146 PolarHBondContact O-N 3.31Å; Y146-K148 PolarHBondContact O-N 3.13Å
147E59.5Low63Low181 Ų181136.9 Ų136.985%0.84673%0.727SS**PPolyproline II helixtrans-46.1116.2153.3-92.7-103.9122.300106.1S145 P149S145-E147 PolarHBondContact O-N 3.02Å; E147-P149 WeakPolarHBondContact O-CD 3.22Å; E147-P149 VanDerWaalsContact O-N 3.15Å
148K67.9Low64.3Low192 Ų192137.6 Ų137.684%0.83573%0.73SS**PPolyproline II helixtrans-61.2117.9178.7-129164.3177.7177.30105.2Y146 D150Y146-K148 PolarHBondContact O-N 3.13Å; K148-D150 PolarHBondContact O-N 2.91Å; K148-D150 VanDerWaalsContact O-N 3.08Å
149P67.1Low65.3Low103 Ų103144.1 Ų144.167%0.66976%0.757SS**PPolyproline II helixtrans-57.1123.417921.9-30.8000107.5E147 L151E147-P149 WeakPolarHBondContact O-CD 3.22Å; E147-P149 VanDerWaalsContact O-N 3.15Å; P149-L151 PolarHBondContact O-N 2.78Å
150D73.4Confident65.8Low100 Ų100144.6 Ų144.654%0.53576%0.76SS.*  trans-64.9105.3177.4-175.92.4000107.6K148 N152 E153K148-D150 PolarHBondContact O-N 2.91Å; K148-D150 VanDerWaalsContact O-N 3.08Å; D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 3.19Å; D150-E153 HydrophobicContact CB-CB 4.38Å; D150-E153 PolarHBondContact O-N 3.4Å
151L75Confident66.6Low164 Ų164146.4 Ų146.486%0.85976%0.76SS**THydrogen-bonded Turntrans-67.5-2.8-179.7-65.3174.9000112.5P149P149-L151 PolarHBondContact O-N 2.78Å
152N77.8Confident67.6Low133 Ų133148.1 Ų148.171%0.71176%0.758SS**THydrogen-bonded Turntrans-100.2-0.8170.6-60.8-40.9000113.5D150 Y154D150-N152 PolarHBondContact O-N 2.86Å; D150-N152 WeakPolarHBondContact OD1-CB 3.48Å; D150-N152 PolarHBondContact OD1-N 3.19Å; N152-Y154 PolarHBondContact O-N 3.24Å
153E79.1Confident68.7Low118 Ų118150.9 Ų150.955%0.55176%0.761SS**  trans-73.9110.8175.4-163.5173.6179.900109.4D150 K156D150-E153 HydrophobicContact CB-CB 4.38Å; D150-E153 PolarHBondContact O-N 3.4Å; E153-K156 IonicContact OE1-NZ 3.76Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å
154Y76.6Confident69.6Low206 Ų206150.6 Ų150.681%0.80876%0.763SS**PPolyproline II helixtrans-64.5142.1174.1-81.5-89000110.2N152 K156N152-Y154 PolarHBondContact O-N 3.24Å; Y154-K156 PolarHBondContact O-N 2.78Å
155P75.6Confident70.7Confident118 Ų118154.5 Ų154.577%0.76678%0.777SS**PPolyproline II helixtrans-59.3126.6179.224.1-32.3000110
156K78.1Confident72Confident158 Ų158159.1 Ų159.169%0.68779%0.787SS**PPolyproline II helixtrans-70.1133.9176.5-75.1172.5177.2131.90109.1E153 Y154 E158E153-K156 IonicContact OE1-NZ 3.76Å; E153-K156 PolarHBondContact OE1-NZ 3.5Å; Y154-K156 PolarHBondContact O-N 2.78Å; K156-E158 PolarHBondContact O-N 3.24Å
157P80Confident74.1Confident120 Ų120156.1 Ų156.178%0.77979%0.788SS**PPolyproline II helixtrans-62.8137.5171.727.9-32.1000108.8
158E77.6Confident75.3Confident195 Ų195154 Ų15491%0.91178%0.783SS**PPolyproline II helixtrans-79.5121.917738.4-148.614700109.5K156K156-E158 PolarHBondContact O-N 3.24Å
159D75.8Confident76Confident241 Ų241150.5 Ų150.5100%1.28978%0.779SS**  trans-65.40178.2-74.6-52000112.8

Retrieved 159 of 159 residues in 124 ms (Link to these results)