A0A2K5MKA4_CERAT Loading...

Mediator of RNA polymerase II transcription subunit 19

Component of the Mediator complex, a coactivator involved in the regulated transcription of nearly all RNA polymerase II-dependent genes. Mediator functions as a bridge to convey information from gene-specific regulatory proteins to the basal RNA polymerase II transcription machinery. Mediator is recruited to promoters by direct interactions with regulatory proteins and serves as a scaffold for the assembly of a functional preinitiation complex with RNA polymerase II and the general transcription factors.

AlphaFold DB , UniProt , Accession A0A2K5MKA4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene MED19, Length 261 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
1M41.2Very low40.4Very low236 Ų236163.2 Ų163.2100%1.16382%0.819SS**  0132.80-72.8171.3170.500108.4
2K40.9Very low40Very low194 Ų194158.6 Ų158.684%0.84383%0.826SS**  trans52.9117.2160.3-53.8177.1-178.2-179.20117.5
3I40.4Very low39.6Very low155 Ų155152.2 Ų152.280%0.79582%0.821SS**  cis67.8114.338.5-49.7172.9000110.9
4T41.8Very low39.4Very low122 Ų122148.1 Ų148.175%0.74882%0.819SS**  cis-151.1149.1-1.912.20000109.3
5N36.9Very low39.2Very low155 Ų155151.6 Ų151.683%0.82983%0.827SS**  61.8144.784.2-15513.8000117.4
6A40.5Very low39.7Very low95 Ų95146.6 Ų146.679%0.78582%0.822SS**  trans109.8135.7159.600000120.2
7R46.5Very low40Very low242 Ų242144.6 Ų144.691%0.91381%0.814SS**  trans-113.4145.8171.8-57.8167.7172.3172.7-4.2109.6
8H38.4Very low40.6Very low178 Ų178146.6 Ų146.682%0.82482%0.818SS**  trans176.6141.3136-105.6-13.6000107.5
9R44.3Very low41.2Very low197 Ų197146.4 Ų146.474%0.74381%0.81SS**  cis85.112647.1-129.3-164.5173.8-119.4-1.3115.1
10D36.1Very low41.5Very low107 Ų107146.2 Ų146.257%0.57281%0.807SS**  trans76.3127.7155.5-56.1-40.9000123.8
11S37.9Very low41.5Very low114 Ų114149.1 Ų149.180%0.79781%0.813SS**  trans72.5112.7137.4-66.70000124.9
12A35.6Very low41.9Very low108 Ų108144.1 Ų144.189%0.89380%0.795SS**  65.1133.1123.600000123.2
13G34.1Very low42.4Very low75 Ų75139.2 Ų139.277%0.77379%0.791SS**  trans153.5135.2152.100000116.7
14A36.4Very low42.7Very low95 Ų95139.3 Ų139.379%0.78579%0.792SS**  trans62.8122.9165.600000117.8
15E37.4Very low42.8Very low201 Ų201143.5 Ų143.594%0.93980%0.801SS**  55.6129.582-61.3-146.6134.900114.2
16G47.4Very low43Very low72 Ų72140 Ų14074%0.74280%0.801SS**  cis159.7118.5-3.500000110.8
17T44.5Very low43.1Very low112 Ų112140.1 Ų140.169%0.68780%0.802SS**  trans-137.8118169.9540000111.1E19T17-E19 WeakPolarHBondContact CB-OE1 3.05Å; T17-E19 PolarHBondContact O-N 3.29Å; T17-E19 PolarHBondContact OG1-OE1 2.87Å
18M51Low43.1Very low180 Ų180138.4 Ų138.489%0.88780%0.804SS**  trans-84.990.3168.3-71.8-177-176.100108.7N20M18-N20 PolarHBondContact O-N 3.33Å; M18-N20 PolarHBondContact O-ND2 3.4Å
19E50.6Low43.4Very low143 Ų143134.3 Ų134.367%0.66880%0.802SS**  trans-71113.9172-40.2-59.8167.600109.2T17 F21T17-E19 WeakPolarHBondContact CB-OE1 3.05Å; T17-E19 PolarHBondContact O-N 3.29Å; T17-E19 PolarHBondContact OG1-OE1 2.87Å; E19-F21 PolarHBondContact O-N 3.32Å
20N48.8Very low43.7Very low142 Ų142132.1 Ų132.176%0.75980%0.804SS**  trans-67.8120.5-170.8-71.3-91.3000112.9M18M18-N20 PolarHBondContact O-N 3.33Å; M18-N20 PolarHBondContact O-ND2 3.4Å
21F41.5Very low44.8Very low209 Ų209132 Ų13292%0.91781%0.809SS**  trans-98.628.1166.7-104.4-88.2000113.5E19 A23E19-F21 PolarHBondContact O-N 3.32Å; F21-A23 PolarHBondContact O-N 3.36Å; F21-A23 VanDerWaalsContact O-N 3.13Å
22T49.8Very low45.8Very low130 Ų130132.1 Ų132.180%0.79881%0.808SS**  trans-8572.2175.2-54.70000110.7
23A50.7Low47.1Very low91 Ų91132.4 Ų132.475%0.75280%0.8SS**  trans-158.364.7174.800000113.3F21F21-A23 PolarHBondContact O-N 3.36Å; F21-A23 VanDerWaalsContact O-N 3.13Å
24L47Very low48.4Very low157 Ų157134.1 Ų134.182%0.82280%0.798SS**SBendtrans-151.3-22.1162.5-161.753.4000116
25F43.7Very low49Very low211 Ų211135.6 Ų135.693%0.92580%0.8SS**  trans-110.191.2177.2-75.6-85.2000110.7
26G40Very low49.4Very low82 Ų82132.2 Ų132.285%0.84579%0.793SS**  trans-164.642.9-173.600000113.5
27A42.9Very low49.2Very low97 Ų97133.1 Ų133.180%0.80279%0.793SS**  trans-131.7101.5169.100000109.3
28Q47.5Very low49Very low205 Ų205134.8 Ų134.896%0.95880%0.797SS**  trans-65.8126.4174.3174.7177.7-28.900109.9
29A44.1Very low48.6Very low93 Ų93129.7 Ų129.777%0.76979%0.791SS**  trans-129.8142.9170.700000109.6
30D50Low48Very low150 Ų150132 Ų13280%0.80280%0.799SS**PPolyproline II helixtrans-56.4144.2-165.7-127-95.1000114.8
31P59.5Low47.9Very low104 Ų104127.7 Ų127.768%0.67579%0.788SS**PPolyproline II helixtrans-66130.716928.5-34.3000110.8
32P59.5Low48.5Very low117 Ų117124.8 Ų124.876%0.7679%0.79SS**PPolyproline II helixtrans-63.6145.217327.7-34000110.5
33P63Low48.2Very low114 Ų114121.9 Ų121.974%0.7479%0.787SS**PPolyproline II helixtrans-62.7148.9-176.626-34.8000111.5
34P61.2Low48.4Very low111 Ų111127 Ų12772%0.72179%0.792SS**PPolyproline II helixtrans-60.1146.2176.926.9-34.7000110.2T36P34-T36 PolarHBondContact O-N 3.48Å; P34-T36 VanDerWaalsContact O-N 3.16Å
35P48.7Very low48.6Very low127 Ų127125 Ų12583%0.82579%0.788SS**PPolyproline II helixtrans-59.4124.2177.925.4-33.7000109.3A37P35-A37 PolarHBondContact O-N 3.44Å
36T46Very low49.1Very low129 Ų129120.5 Ų120.579%0.79178%0.78SS**  trans-55.8110.3177.5-39.80000108.8P34 L38P34-T36 PolarHBondContact O-N 3.48Å; P34-T36 VanDerWaalsContact O-N 3.16Å; T36-L38 PolarHBondContact O-N 3.36Å
37A43.1Very low50.1Low91 Ų91122.1 Ų122.175%0.75278%0.775SS**  trans-61.1106.716900000107.2P35 G39P35-A37 PolarHBondContact O-N 3.44Å; A37-G39 PolarHBondContact O-N 2.98Å
38L40.2Very low51Low148 Ų148123 Ų12378%0.77577%0.773SS**  trans-68.683.5170.7-83.6170.2000108T36 F40T36-L38 PolarHBondContact O-N 3.36Å; L38-F40 HydrophobicContact CB-CE2 4.42Å; L38-F40 PolarHBondContact O-N 2.97Å
39G42.7Very low51.8Low73 Ų73118.8 Ų118.875%0.75376%0.763SS**  trans-65.493175.200000110.1A37 G41A37-G39 PolarHBondContact O-N 2.98Å; G39-G41 PolarHBondContact O-N 3.21Å
40F38.7Very low52.5Low191 Ų191119.9 Ų119.984%0.83876%0.763SS**  trans-75.783.4157.6-78-85.9000108.3L38L38-F40 HydrophobicContact CB-CE2 4.42Å; L38-F40 PolarHBondContact O-N 2.97Å
41G45.9Very low53.1Low52 Ų52118.3 Ų118.354%0.53676%0.761SS.*  trans-61.8169.6160.300000110.9G39 G43G39-G41 PolarHBondContact O-N 3.21Å; G41-G43 PolarHBondContact O-N 3.13Å
42P54.9Low53.2Low147 Ų147119 Ų11996%0.95577%0.766SS**  trans-72.674.9-177.630.8-35.4000111.6
43G43.9Very low52.6Low70 Ų70119.8 Ų119.872%0.72277%0.771SS**PPolyproline II helixtrans-80132.7173.800000111.6G41G41-G43 PolarHBondContact O-N 3.13Å
44K54.3Low51.4Low199 Ų199118.3 Ų118.387%0.86578%0.776SS**PPolyproline II helixtrans-47.9148.5-176.5-71.7169.9173.3174.40114.2
45P50.5Low50Low114 Ų114117 Ų11774%0.7478%0.783SS**PPolyproline II helixtrans-62.7151.2171.829-35.5000111.5
46P54.6Low49.4Very low116 Ų116114.7 Ų114.775%0.75378%0.781SS**PPolyproline II helixtrans-68153.3178.229.4-35.3000111.9
47P60.9Low49.4Very low116 Ų116114.9 Ų114.975%0.75379%0.785SS**PPolyproline II helixtrans-69.1151.317730.1-35.1000111.7
48P62.5Low49.1Very low117 Ų117114.1 Ų114.176%0.7679%0.786SS**PPolyproline II helixtrans-67.5155.1176.729.1-35.1000112.1
49P62.8Low48.9Very low115 Ų115114.3 Ų114.375%0.74779%0.794SS**PPolyproline II helixtrans-66.2154.2178.328.6-35.5000112.2
50P60.3Low48.8Very low117 Ų117115.3 Ų115.376%0.7680%0.795SS**PPolyproline II helixtrans-67.9145.6-179.928.9-35.2000111.8
51P62.7Low49.7Very low116 Ų116112 Ų11275%0.75379%0.792SS**PPolyproline II helixtrans-68151.4174.229.5-34.7000111.4
52P59.9Low50.4Low120 Ų120114.9 Ų114.978%0.77980%0.802SS**PPolyproline II helixtrans-65.415417827.8-34.7000112G54P52-G54 PolarHBondContact O-N 3.38Å
53P47Very low50Low133 Ų133113.9 Ų113.986%0.86480%0.795SS**PPolyproline II helixtrans-77.3123.9-17213.2-4.6000113.2
54G38Very low50.1Low83 Ų83117 Ų11786%0.85680%0.801SS**  trans58.796.1133.800000119.5P52P52-G54 PolarHBondContact O-N 3.38Å
55G32.3Very low49.2Very low84 Ų84112.4 Ų112.487%0.86680%0.799SS**  trans-152.298.2155.100000110.5
56G35.5Very low48.5Very low77 Ų77112 Ų11279%0.79481%0.806SS**  trans-95.1-165.9172.100000112.3
57P46.4Very low48Very low134 Ų134113.2 Ų113.287%0.8781%0.811SS**  cis-1331701.440.8-25000115.9
58G37Very low47.1Very low75 Ų75112 Ų11277%0.77381%0.81SS**  trans93134165.200000114.9
59T36.9Very low46.3Very low152 Ų152111.8 Ų111.893%0.93381%0.809SS**  cis-138.8173.314.643.40000112.9
60A39.6Very low46.2Very low94 Ų94112.8 Ų112.878%0.77782%0.816SS**  trans-108169.3-16700000114
61P57.7Low45.4Very low120 Ų120110.6 Ų110.678%0.77981%0.814SS**  trans-103.7-155.1-159.546.7-40.3000111.8
62P60Low44.4Very low114 Ų114109 Ų10974%0.7481%0.811SS**  cis-121.1-136.8-642.4-22000111.5
63P48.1Very low43.7Very low125 Ų125111.4 Ų111.481%0.81282%0.817SS**  cis-108.7-16920.536.5-20.8000115.4
64T44.5Very low43.8Very low137 Ų137113.9 Ų113.984%0.8481%0.814SS**  trans-111152.1-176.946.40000113.7
65A35.6Very low44.2Very low101 Ų101115.9 Ų115.984%0.83582%0.816SS**  trans-151.3120.1153.600000114
66A36.2Very low45.3Very low106 Ų106115.3 Ų115.388%0.87681%0.81SS**  trans55.4124.1150.800000122.7
67T44.5Very low46.4Very low142 Ų142116.5 Ų116.587%0.87181%0.812SS**  trans-80.2155.3162.8-590000112.3
68A41.8Very low46.7Very low89 Ų89113 Ų11374%0.73680%0.8SS**  trans100.5155.9158.200000117.7
69P46.4Very low47.5Very low113 Ų113113.2 Ų113.273%0.73479%0.789SS**  cis-118.2172.1-13.738.9-25.7000113.2
70P59.8Low48.8Very low136 Ų136108.1 Ų108.188%0.88377%0.766SS**  trans-75.3129.516731.6-32.9000110.3
71G42.8Very low50.2Low71 Ų71108.9 Ų108.973%0.73276%0.764SS**  trans-177.7126.6178.100000116.3
72A42.4Very low50.6Low82 Ų82109.6 Ų109.668%0.67876%0.755SS**  trans6589.8163.800000117.2K74A72-K74 PolarHBondContact O-N 3.45Å
73D45.7Very low50.9Low172 Ų172113.7 Ų113.792%0.9276%0.757SS**  trans-58.684.9154.6-53.1-80.6000110.9
74K49.1Very low52Low184 Ų184116.1 Ų116.180%0.876%0.762SS**  trans-113.563.9164.3-71.8-169.5178-177.20109.5A72 G76A72-K74 PolarHBondContact O-N 3.45Å; K74-G76 PolarHBondContact O-N 3.1Å
75S45.7Very low53.3Low126 Ų126116.3 Ų116.388%0.88176%0.755SS**  trans-66.888.8163.6-174.20000108.6
76G55.9Low55.1Low72 Ų72121.9 Ų121.974%0.74275%0.754SS**  trans-170.926.7-165.400000114.8K74K74-G76 PolarHBondContact O-N 3.1Å
77A57.7Low56.9Low101 Ų101123.9 Ų123.984%0.83575%0.746SS**  trans-158.151.2173.100000112.7
78G54Low58.3Low61 Ų61124.3 Ų124.363%0.62974%0.742SS**  trans-100.825.4179.500000115G80G78-G80 PolarHBondContact O-N 3.36Å
79C52.5Low59.9Low80 Ų80125.9 Ų125.954%0.54174%0.744SS.*  trans-91.287.3-180-160.60000111.4Y83C79-Y83 WeakPolarHBondContact SG-CD1 3.13Å; C79-Y83 WeakPolarHBondContact SG-CE1 3.28Å
80G64.9Low61.3Low44 Ų44123.8 Ų123.845%0.45474%0.743SS.*  trans-61.6177.4159.300000111.7G78 F82G78-G80 PolarHBondContact O-N 3.36Å; G80-F82 PolarHBondContact O-N 3.03Å
81P68.8Low61.9Low111 Ų111123 Ų12372%0.72174%0.741SS**SBendtrans-65.10.1-172.426.8-35.5000115.2
82F67.3Low63.7Low134 Ų134124.3 Ų124.359%0.58874%0.735SS**  trans-115.191178.4-52.3-68000109.9G80 L84 M85G80-F82 PolarHBondContact O-N 3.03Å; F82-L84 PolarHBondContact O-N 3.27Å; F82-M85 HydrophobicContact CB-CB 4.1Å; F82-M85 HydrophobicContact CB-CG 3.93Å; F82-M85 HydrophobicContact CB-SD 3.94Å; F82-M85 HydrophobicContact CD2-SD 3.78Å; F82-M85 HydrophobicContact CG-SD 4.11Å; F82-M85 PolarHBondContact O-N 3.34Å
83Y64.9Low65.4Low200 Ų200129.3 Ų129.378%0.78475%0.745SS**THydrogen-bonded Turntrans-57.4-13.8175.6-69.5-92.1000114.4C79C79-Y83 WeakPolarHBondContact SG-CD1 3.13Å; C79-Y83 WeakPolarHBondContact SG-CE1 3.28Å
84L71.1Confident67.4Low176 Ų176124.2 Ų124.292%0.92172%0.717SS**THydrogen-bonded Turntrans-85.6-21.2173.4-61.8177.1000113.3F82 R86F82-L84 PolarHBondContact O-N 3.27Å; L84-R86 PolarHBondContact O-N 3.14Å
85M71.8Confident69.3Low142 Ų142119.1 Ų119.170%0.770%0.701SS**  trans-83.463170.4-69.517860.300109.8F82 E87F82-M85 HydrophobicContact CB-CB 4.1Å; F82-M85 HydrophobicContact CB-CG 3.93Å; F82-M85 HydrophobicContact CB-SD 3.94Å; F82-M85 HydrophobicContact CD2-SD 3.78Å; F82-M85 HydrophobicContact CG-SD 4.11Å; F82-M85 PolarHBondContact O-N 3.34Å; M85-E87 PolarHBondContact O-N 3.15Å
86R74.9Confident71.5Confident217 Ų217117.3 Ų117.382%0.81970%0.703SS**PPolyproline II helixtrans-63.8128.7163.5174.5172.4-99.1172.7-6.6107.7L84 L88L84-R86 PolarHBondContact O-N 3.14Å; R86-L88 PolarHBondContact O-N 3.45Å
87E73Confident73.2Confident149 Ų149119 Ų11970%0.69670%0.703SS**PPolyproline II helixtrans-50.2126.5172.5-170.7170.717700109.6M85M85-E87 PolarHBondContact O-N 3.15Å
88L73Confident74.9Confident150 Ų150116.3 Ų116.379%0.78568%0.676SS**PPolyproline II helixtrans-63.9138.3-173.2-77.186.8000109.2R86 G90R86-L88 PolarHBondContact O-N 3.45Å; L88-G90 PolarHBondContact O-N 3.45Å
89P76.1Confident76.8Confident122 Ų122117.7 Ų117.779%0.79267%0.669SS**PPolyproline II helixtrans-56135.1172.925.2-33.6000109.1
90G75.7Confident78.8Confident69 Ų69118.2 Ų118.271%0.71167%0.666SS**PPolyproline II helixtrans-51.3143.3-174.300000112.3L88 T92L88-G90 PolarHBondContact O-N 3.45Å; G90-T92 PolarHBondContact O-N 3.07Å
91S73.3Confident80.1Confident120 Ų120118.6 Ų118.684%0.83966%0.657SS**  trans-60.7102-176.754.70000111.2E93S91-E93 PolarHBondContact O-N 3.5Å
92T80.3Confident81.3Confident98 Ų98116.6 Ų116.660%0.60164%0.643SS**  trans-64.1122.3169.6-103.70000108.9G90 L94 T95G90-T92 PolarHBondContact O-N 3.07Å; T92-L94 HydrophobicContact CG2-CB 4.45Å; T92-L94 VanDerWaalsContact CG2-O 3.24Å; T92-L94 WeakPolarHBondContact CG2-O 3.48Å; T92-L94 PolarHBondContact O-N 3.15Å; T92-T95 PolarHBondContact O-OG1 2.85Å
93E78.8Confident82.6Confident188 Ų188114.6 Ų114.688%0.87964%0.635SS**SBendtrans-56.9-35179.3-66-174.3128.900112S91 T95S91-E93 PolarHBondContact O-N 3.5Å; E93-T95 PolarHBondContact O-N 3.38Å
94L87.1Confident84Confident64 Ų64111.3 Ų111.334%0.33562%0.623SS.*SBendtrans-94.475.6-178.5-158.570.3000112.3T92 T98 L100T92-L94 HydrophobicContact CG2-CB 4.45Å; T92-L94 VanDerWaalsContact CG2-O 3.24Å; T92-L94 WeakPolarHBondContact CG2-O 3.48Å; T92-L94 PolarHBondContact O-N 3.15Å; L94-T98 HydrophobicContact CD1-CG2 3.93Å; L94-L100 HydrophobicContact CD1-CD2 3.6Å; L94-L100 HydrophobicContact CD2-CD2 3.94Å; L94-L100 HydrophobicContact CG-CD2 3.89Å
95T89.4Confident85.2Confident78 Ų78109.6 Ų109.648%0.47961%0.614SS.*  trans-76.6155.9173.5-65.30000111.4T92 E93 S97 T98T92-T95 PolarHBondContact O-OG1 2.85Å; E93-T95 PolarHBondContact O-N 3.38Å; T95-S97 WeakPolarHBondContact CG2-OG 3.36Å; T95-S97 PolarHBondContact O-N 2.84Å; T95-T98 VanDerWaalsContact O-CB 3.25Å; T95-T98 WeakPolarHBondContact O-CB 3.17Å; T95-T98 PolarHBondContact O-N 2.75Å; T95-T98 PolarHBondContact O-OG1 2.96Å
96G90.6Very high86.3Confident88 Ų88107.3 Ų107.391%0.90760%0.604SS**THydrogen-bonded Turntrans-63.1-9178.200000115.9
97S92.6Very high87.2Confident106 Ų106102.1 Ų102.174%0.74159%0.589SS**THydrogen-bonded Turntrans-82.7-16.1168.951.60000113.4T95 N99T95-S97 WeakPolarHBondContact CG2-OG 3.36Å; T95-S97 PolarHBondContact O-N 2.84Å; S97-N99 PolarHBondContact O-N 3.47Å
98T93Very high88.1Confident46 Ų46102 Ų10228%0.28259%0.589SS.*SBendtrans-73.8122.9-179.6-57.40000110.3L94 T95 L100 H103L94-T98 HydrophobicContact CD1-CG2 3.93Å; T95-T98 VanDerWaalsContact O-CB 3.25Å; T95-T98 WeakPolarHBondContact O-CB 3.17Å; T95-T98 PolarHBondContact O-N 2.75Å; T95-T98 PolarHBondContact O-OG1 2.96Å; T98-L100 PolarHBondContact O-N 3.05Å; T98-H103 HydrophobicContact CG2-CB 4.06Å
99N93.6Very high88.9Confident89 Ų8996.9 Ų96.948%0.47657%0.568SS.*  trans-69.1101.6174.6-177.4-8000110.3S97 I101 T102 H103S97-N99 PolarHBondContact O-N 3.47Å; N99-I101 PolarHBondContact O-N 3.3Å; N99-I101 WeakPolarHBondContact OD1-CB 3.25Å; N99-I101 PolarHBondContact OD1-N 3.32Å; N99-T102 PolarHBondContact ND2-OG1 3.31Å; N99-T102 PolarHBondContact O-N 3.27Å; N99-T102 VanDerWaalsContact O-N 3.13Å; N99-H103 WeakPolarHBondContact O-CB 3.36Å; N99-H103 PolarHBondContact O-N 3.38Å
100L93.9Very high89.6Confident91 Ų9196.5 Ų96.548%0.47655%0.552SS.*Hα-helixtrans-59.7-29.8-178.3-54.6-175000113.3L94 T98 Y104L94-L100 HydrophobicContact CD1-CD2 3.6Å; L94-L100 HydrophobicContact CD2-CD2 3.94Å; L94-L100 HydrophobicContact CG-CD2 3.89Å; T98-L100 PolarHBondContact O-N 3.05Å; L100-Y104 HydrophobicContact CB-CD2 4.33Å; L100-Y104 HydrophobicContact CB-CE2 4.47Å; L100-Y104 HydrophobicContact CD2-CE2 4.4Å; L100-Y104 VanDerWaalsContact O-CD2 3.28Å; L100-Y104 WeakPolarHBondContact O-CD2 3.4Å; L100-Y104 PolarHBondContact O-N 3.05Å; L100-Y104 VanDerWaalsContact O-N 3.07Å
101I93.6Very high90.3Very high53 Ų5397.9 Ų97.927%0.27254%0.543SS..Hα-helixtrans-66.1-43178.3-61170.1000110N99 N105 L106 E107 Y110N99-I101 PolarHBondContact O-N 3.3Å; N99-I101 WeakPolarHBondContact OD1-CB 3.25Å; N99-I101 PolarHBondContact OD1-N 3.32Å; I101-N105 PolarHBondContact O-N 3.28Å; I101-L106 HydrophobicContact CG2-CB 4.33Å; I101-L106 PolarHBondContact O-N 3.45Å; I101-E107 HydrophobicContact CG2-CB 4.13Å; I101-Y110 HydrophobicContact CD1-CD1 4.4Å; I101-Y110 HydrophobicContact CD1-CD2 3.72Å; I101-Y110 HydrophobicContact CD1-CE2 3.94Å; I101-Y110 HydrophobicContact CD1-CG 3.97Å; I101-Y110 HydrophobicContact CG2-CG 4.36Å
102T94.3Very high91Very high69 Ų6998.6 Ų98.642%0.42353%0.531SS..Hα-helixtrans-74-44.8176.7-50.70000111N99 Y104 N105N99-T102 PolarHBondContact ND2-OG1 3.31Å; N99-T102 PolarHBondContact O-N 3.27Å; N99-T102 VanDerWaalsContact O-N 3.13Å; T102-Y104 VanDerWaalsContact C-N 3.32Å; T102-Y104 PolarHBondContact O-N 2.88Å; T102-N105 PolarHBondContact O-N 3.39Å
103H94.4Very high91.2Very high91 Ų91100 Ų10042%0.42153%0.529SS..Hα-helixtrans-56.1-42.7-179.4-176.9-90.5000113T98 N99T98-H103 HydrophobicContact CG2-CB 4.06Å; N99-H103 WeakPolarHBondContact O-CB 3.36Å; N99-H103 PolarHBondContact O-N 3.38Å
104Y94.5Very high91.5Very high132 Ų13294.9 Ų94.952%0.51851%0.513SS..THydrogen-bonded Turntrans-93.111.8176.6-63.2-65.5000113.9L100 T102 L106L100-Y104 HydrophobicContact CB-CD2 4.33Å; L100-Y104 HydrophobicContact CB-CE2 4.47Å; L100-Y104 HydrophobicContact CD2-CE2 4.4Å; L100-Y104 VanDerWaalsContact O-CD2 3.28Å; L100-Y104 WeakPolarHBondContact O-CD2 3.4Å; L100-Y104 PolarHBondContact O-N 3.05Å; L100-Y104 VanDerWaalsContact O-N 3.07Å; T102-Y104 VanDerWaalsContact C-N 3.32Å; T102-Y104 PolarHBondContact O-N 2.88Å; Y104-L106 PolarHBondContact O-N 2.99Å; Y104-L106 VanDerWaalsContact O-N 3.13Å
105N94.6Very high91.1Very high140 Ų14094.4 Ų94.475%0.74952%0.523SS*.THydrogen-bonded Turntrans55.625.9-179.8-59.9-81.2000114.6I101 T102 E107I101-N105 PolarHBondContact O-N 3.28Å; T102-N105 PolarHBondContact O-N 3.39Å; N105-E107 PolarHBondContact O-N 3.34Å
106L94.9Very high90.7Very high93 Ų9398.5 Ų98.549%0.48753%0.534SS..THydrogen-bonded Turntrans-81.22-177.7-59.7177.7000113.4I101 Y104 Q108 A109 Y110I101-L106 HydrophobicContact CG2-CB 4.33Å; I101-L106 PolarHBondContact O-N 3.45Å; Y104-L106 PolarHBondContact O-N 2.99Å; Y104-L106 VanDerWaalsContact O-N 3.13Å; L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 3.17Å; L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 2.86Å; L106-Y110 PolarHBondContact O-N 2.9Å
107E93.6Very high89.9Confident108 Ų108104.6 Ų104.651%0.50554%0.536SS..Hα-helixtrans-56.9-37.7-175-173.2166.1-13400113.2I101 N105 N111I101-E107 HydrophobicContact CG2-CB 4.13Å; N105-E107 PolarHBondContact O-N 3.34Å; E107-N111 WeakPolarHBondContact O-CB 3.24Å; E107-N111 PolarHBondContact O-N 3.21Å; E107-N111 PolarHBondContact O-ND2 3.13Å
108Q92.3Very high89Confident146 Ų146103 Ų10368%0.68252%0.522SS*.Hα-helixtrans-67.1-40174.6-63.5-163.119.200112.5L106 K112L106-Q108 VanDerWaalsContact C-N 3.28Å; L106-Q108 PolarHBondContact O-N 3.17Å; Q108-K112 WeakPolarHBondContact O-CB 3.32Å; Q108-K112 WeakPolarHBondContact O-CD 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.44Å; Q108-K112 PolarHBondContact O-N 3.21Å
109A90.8Very high87.9Confident43 Ų43110.1 Ų110.136%0.35555%0.549SS..Hα-helixtrans-68.2-44.717800000111L106 N111 K112 F113L106-A109 WeakPolarHBondContact O-CB 3.38Å; L106-A109 PolarHBondContact O-N 2.86Å; A109-N111 PolarHBondContact O-N 2.9Å; A109-K112 PolarHBondContact O-N 3.05Å; A109-F113 HydrophobicContact CB-CD2 4.49Å; A109-F113 VanDerWaalsContact O-CD2 3.28Å; A109-F113 WeakPolarHBondContact O-CD2 3.36Å; A109-F113 PolarHBondContact O-N 3.18Å
110Y90.9Very high87.5Confident115 Ų115110.6 Ų110.645%0.45155%0.548SS..Hα-helixtrans-57.7-47.3174.9-179-96.1000111.8I101 L106 K112 C114 G115I101-Y110 HydrophobicContact CD1-CD1 4.4Å; I101-Y110 HydrophobicContact CD1-CD2 3.72Å; I101-Y110 HydrophobicContact CD1-CE2 3.94Å; I101-Y110 HydrophobicContact CD1-CG 3.97Å; I101-Y110 HydrophobicContact CG2-CG 4.36Å; L106-Y110 PolarHBondContact O-N 2.9Å; Y110-K112 PolarHBondContact O-N 3.31Å; Y110-C114 HydrophobicContact CD2-CB 3.55Å; Y110-C114 HydrophobicContact CE2-CB 3.52Å; Y110-C114 HydrophobicContact CG-CB 4.13Å; Y110-C114 WeakPolarHBondContact O-CA 3.43Å; Y110-C114 VanDerWaalsContact O-CB 3.29Å; Y110-C114 WeakPolarHBondContact O-CB 3.28Å; Y110-C114 PolarHBondContact O-N 3.17Å; Y110-G115 PolarHBondContact O-N 2.91Å
111N90.8Very high87.1Confident97 Ų97111.6 Ų111.652%0.51955%0.549SS..Hα-helixtrans-65.9-34.8177.7-79.2-59.9000113.3E107 A109E107-N111 WeakPolarHBondContact O-CB 3.24Å; E107-N111 PolarHBondContact O-N 3.21Å; E107-N111 PolarHBondContact O-ND2 3.13Å; A109-N111 PolarHBondContact O-N 2.9Å
112K87.6Confident86.6Confident135 Ų135113.4 Ų113.459%0.58756%0.559SS**Hα-helixtrans-68.7-47176.3-74.8163.6-171.3-84.90112.5Q108 A109 Y110Q108-K112 WeakPolarHBondContact O-CB 3.32Å; Q108-K112 WeakPolarHBondContact O-CD 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.44Å; Q108-K112 PolarHBondContact O-N 3.21Å; A109-K112 PolarHBondContact O-N 3.05Å; Y110-K112 PolarHBondContact O-N 3.31Å
113F84.5Confident86.2Confident129 Ų129112 Ų11257%0.56655%0.552SS**Hα-helixtrans-106.7-32.1-167.2-60.7-67.7000114.9A109 V118A109-F113 HydrophobicContact CB-CD2 4.49Å; A109-F113 VanDerWaalsContact O-CD2 3.28Å; A109-F113 WeakPolarHBondContact O-CD2 3.36Å; A109-F113 PolarHBondContact O-N 3.18Å; F113-V118 VanDerWaalsContact O-CG2 3.32Å; F113-V118 WeakPolarHBondContact O-CG2 3.48Å
114C83.7Confident85.9Confident80 Ų80111.9 Ų111.954%0.54155%0.554SS.*THydrogen-bonded Turntrans-97.3-22.4-178.2-59.80000113.4Y110 K116Y110-C114 HydrophobicContact CD2-CB 3.55Å; Y110-C114 HydrophobicContact CE2-CB 3.52Å; Y110-C114 HydrophobicContact CG-CB 4.13Å; Y110-C114 WeakPolarHBondContact O-CA 3.43Å; Y110-C114 VanDerWaalsContact O-CB 3.29Å; Y110-C114 WeakPolarHBondContact O-CB 3.28Å; Y110-C114 PolarHBondContact O-N 3.17Å; C114-K116 PolarHBondContact O-N 3.1Å; C114-K116 VanDerWaalsContact O-N 3.1Å
115G79.9Confident85.7Confident54 Ų54111.7 Ų111.756%0.55756%0.556SS**SBendtrans-65.8-8.9178.400000115.1Y110Y110-G115 PolarHBondContact O-N 2.91Å
116K80.4Confident85.4Confident163 Ų163108.4 Ų108.471%0.70954%0.538SS*.SBendtrans-139.1151.2179.8-62.3172.6-171166.90109.2C114 V118C114-K116 PolarHBondContact O-N 3.1Å; C114-K116 VanDerWaalsContact O-N 3.1Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-V118 PolarHBondContact O-N 3.2Å
117K74.8Confident84.9Confident216 Ų216108.6 Ų108.694%0.93955%0.545SS*.  trans-71.990.3169.7-71.4-168.5176-172.60109.6K119K117-K119 PolarHBondContact O-N 2.82Å; K117-K119 VanDerWaalsContact O-N 3.17Å
118V72.9Confident84.6Confident73 Ų73110.7 Ų110.744%0.44256%0.56SS.*  trans-68108.1174.5175.20000108.9F113 K116 E120F113-V118 VanDerWaalsContact O-CG2 3.32Å; F113-V118 WeakPolarHBondContact O-CG2 3.48Å; K116-V118 VanDerWaalsContact C-N 3.33Å; K116-V118 PolarHBondContact O-N 3.2Å; V118-E120 HydrophobicContact CG1-CB 3.84Å; V118-E120 HydrophobicContact CG1-CG 3.81Å
119K70.9Confident84.2Confident195 Ų195108.6 Ų108.685%0.84855%0.552SS**  trans-115.959.4160.4-168.2179.9-179.3173.30108K117K117-K119 PolarHBondContact O-N 2.82Å; K117-K119 VanDerWaalsContact O-N 3.17Å
120E83.9Confident83.8Confident99 Ų99110.9 Ų110.946%0.46356%0.564SS.*  trans-78.6140.8174.3-74.4170.5174.800109.4V118 N124 F125V118-E120 HydrophobicContact CG1-CB 3.84Å; V118-E120 HydrophobicContact CG1-CG 3.81Å; E120-N124 WeakPolarHBondContact CA-ND2 2.96Å; E120-F125 HydrophobicContact CB-CE2 3.93Å; E120-F125 HydrophobicContact CB-CZ 4.1Å; E120-F125 VanDerWaalsContact OE2-CZ 3.27Å; E120-F125 WeakPolarHBondContact OE2-CZ 3.47Å
121K85.1Confident83.1Confident112 Ų112106.7 Ų106.749%0.48756%0.555SS.*  trans-99161.1178-71.1-153.1-177.8-178.20109.6S123 N124 F125 D134K121-S123 WeakPolarHBondContact CB-OG 3.46Å; K121-S123 PolarHBondContact O-N 3.45Å; K121-N124 PolarHBondContact N-ND2 3.45Å; K121-N124 VanDerWaalsContact O-CB 3.32Å; K121-N124 WeakPolarHBondContact O-CB 3.39Å; K121-N124 PolarHBondContact O-N 2.97Å; K121-F125 WeakPolarHBondContact O-CD2 3.47Å; K121-D134 WeakPolarHBondContact CB-OD1 3.27Å; K121-D134 HydrophobicContact CD-CB 4.31Å; K121-D134 VanDerWaalsContact CD-CG 3.47Å; K121-D134 WeakPolarHBondContact CD-OD2 3.28Å; K121-D134 IonicContact NZ-OD2 2.8Å; K121-D134 PolarHBondContact NZ-OD2 2.83Å
122L84.9Confident82.6Confident92 Ų92107.7 Ų107.748%0.48256%0.558SS.*Hα-helixtrans-60.6-33.3176.4-168.461.7000111N124 F125 L126 I133 D134L122-N124 PolarHBondContact O-N 3.13Å; L122-N124 VanDerWaalsContact O-N 3.07Å; L122-F125 PolarHBondContact O-N 3.11Å; L122-L126 HydrophobicContact CD1-CD1 4.19Å; L122-L126 HydrophobicContact CD2-CD1 4.14Å; L122-L126 HydrophobicContact CG-CD1 3.89Å; L122-L126 HydrophobicContact CG-CG 4.47Å; L122-L126 PolarHBondContact O-N 2.99Å; L122-L126 VanDerWaalsContact O-N 3.11Å; L122-I133 WeakPolarHBondContact CD2-O 3.37Å; L122-D134 PolarHBondContact N-OD1 3.24Å
123S85.6Confident82.5Confident40 Ų40103.1 Ų103.128%0.2854%0.54SS..Hα-helixtrans-53.7-23.3170.570.80000116.1K121 F125 D134K121-S123 WeakPolarHBondContact CB-OG 3.46Å; K121-S123 PolarHBondContact O-N 3.45Å; S123-F125 VanDerWaalsContact C-N 3.34Å; S123-D134 WeakPolarHBondContact CB-OD1 3.24Å; S123-D134 PolarHBondContact N-OD1 3.33Å; S123-D134 PolarHBondContact OG-OD1 2.81Å
124N88.3Confident82.5Confident88 Ų88100 Ų10047%0.47153%0.529SS..Hα-helixtrans-78.6-24.2179.8-61.2-2.7000111.9E120 K121 L122E120-N124 WeakPolarHBondContact CA-ND2 2.96Å; K121-N124 PolarHBondContact N-ND2 3.45Å; K121-N124 VanDerWaalsContact O-CB 3.32Å; K121-N124 WeakPolarHBondContact O-CB 3.39Å; K121-N124 PolarHBondContact O-N 2.97Å; L122-N124 PolarHBondContact O-N 3.13Å; L122-N124 VanDerWaalsContact O-N 3.07Å
125F88.8Confident82.4Confident128 Ų128100.7 Ų100.756%0.56153%0.527SS*.Hα-helixtrans-97.5-21.7178.6-57.6-77.5000112.5E120 K121 L122 S123 P127E120-F125 HydrophobicContact CB-CE2 3.93Å; E120-F125 HydrophobicContact CB-CZ 4.1Å; E120-F125 VanDerWaalsContact OE2-CZ 3.27Å; E120-F125 WeakPolarHBondContact OE2-CZ 3.47Å; K121-F125 WeakPolarHBondContact O-CD2 3.47Å; L122-F125 PolarHBondContact O-N 3.11Å; S123-F125 VanDerWaalsContact C-N 3.34Å; F125-P127 WeakPolarHBondContact O-CD 3.32Å
126L89.6Confident82.3Confident70 Ų70102.1 Ų102.137%0.36653%0.527SS..  trans-120.362.2179.3-56.9178.7000110.9L122 D128 L129 I133L122-L126 HydrophobicContact CD1-CD1 4.19Å; L122-L126 HydrophobicContact CD2-CD1 4.14Å; L122-L126 HydrophobicContact CG-CD1 3.89Å; L122-L126 HydrophobicContact CG-CG 4.47Å; L122-L126 PolarHBondContact O-N 2.99Å; L122-L126 VanDerWaalsContact O-N 3.11Å; L126-D128 VanDerWaalsContact C-N 3.29Å; L126-D128 PolarHBondContact O-N 2.8Å; L126-L129 HydrophobicContact CB-CB 4.09Å; L126-L129 HydrophobicContact CD1-CD2 4.16Å; L126-L129 PolarHBondContact O-N 3.07Å; L126-I133 HydrophobicContact CB-CD1 3.75Å; L126-I133 HydrophobicContact CD1-CD1 4.45Å
127P84.8Confident81.8Confident97 Ų9795.8 Ų95.863%0.6351%0.507SS*.THydrogen-bonded Turntrans-66.3-29-172.628-36.2000113.8F125F125-P127 WeakPolarHBondContact O-CD 3.32Å
128D85.6Confident81.6Confident153 Ų15390.1 Ų90.182%0.81850%0.495SS*.THydrogen-bonded Turntrans-93.2-4.2-176.4-57.8-55000113.4L126 P130L126-D128 VanDerWaalsContact C-N 3.29Å; L126-D128 PolarHBondContact O-N 2.8Å; D128-P130 WeakPolarHBondContact O-CD 3.17Å
129L85.4Confident81.3Confident101 Ų10193.8 Ų93.853%0.52951%0.507SS..  trans-86.3116.1-179-147.474.1000110.5L126 I133L126-L129 HydrophobicContact CB-CB 4.09Å; L126-L129 HydrophobicContact CD1-CD2 4.16Å; L126-L129 PolarHBondContact O-N 3.07Å; L129-I133 HydrophobicContact CD2-CG2 4.1Å
130P80.7Confident81.2Confident91 Ų9189.2 Ų89.259%0.59149%0.492SS*.  trans-72.8152178.331-35.1000111.6D128D128-P130 WeakPolarHBondContact O-CD 3.17Å
131G78.1Confident80.5Confident27 Ų2791.5 Ų91.528%0.27851%0.507SS..SBendtrans114-171.2174.100000114I133G131-I133 PolarHBondContact O-N 2.99Å
132M79.9Confident79.7Confident118 Ų11889.7 Ų89.758%0.58151%0.508SS*.  trans-96.659.9-178.7-58.8-152.1-48.100112.2D134 L135M132-D134 PolarHBondContact O-N 3.31Å; M132-D134 VanDerWaalsContact O-N 3.13Å; M132-L135 HydrophobicContact CB-CD1 4.06Å; M132-L135 HydrophobicContact CB-CG 4.19Å; M132-L135 HydrophobicContact CE-CD1 3.81Å; M132-L135 HydrophobicContact CE-CD2 4.42Å; M132-L135 HydrophobicContact CE-CG 4.28Å; M132-L135 WeakPolarHBondContact O-CG 3.22Å; M132-L135 PolarHBondContact O-N 2.88Å
133I83.9Confident79.5Confident40 Ų4087.6 Ų87.621%0.20550%0.502CS..THydrogen-bonded Turntrans-65.8-11.8-175.555.8168.7000115.1L122 L126 L129 G131 L135L122-I133 WeakPolarHBondContact CD2-O 3.37Å; L126-I133 HydrophobicContact CB-CD1 3.75Å; L126-I133 HydrophobicContact CD1-CD1 4.45Å; L129-I133 HydrophobicContact CD2-CG2 4.1Å; G131-I133 PolarHBondContact O-N 2.99Å; I133-L135 VanDerWaalsContact C-N 3.3Å
134D84.6Confident79.5Confident63 Ų6391.6 Ų91.634%0.33752%0.519SS..THydrogen-bonded Turntrans-82.9-1.1175.7-64.8-29.2000114.1K121 L122 S123 M132K121-D134 WeakPolarHBondContact CB-OD1 3.27Å; K121-D134 HydrophobicContact CD-CB 4.31Å; K121-D134 VanDerWaalsContact CD-CG 3.47Å; K121-D134 WeakPolarHBondContact CD-OD2 3.28Å; K121-D134 IonicContact NZ-OD2 2.8Å; K121-D134 PolarHBondContact NZ-OD2 2.83Å; L122-D134 PolarHBondContact N-OD1 3.24Å; S123-D134 WeakPolarHBondContact CB-OD1 3.24Å; S123-D134 PolarHBondContact N-OD1 3.33Å; S123-D134 PolarHBondContact OG-OD1 2.81Å; M132-D134 PolarHBondContact O-N 3.31Å; M132-D134 VanDerWaalsContact O-N 3.13Å
135L82Confident79.3Confident95 Ų9596.3 Ų96.350%0.49753%0.53SS..SBendtrans-67.1139.2176.4-76.1174.5000110.8M132 I133 G137M132-L135 HydrophobicContact CB-CD1 4.06Å; M132-L135 HydrophobicContact CB-CG 4.19Å; M132-L135 HydrophobicContact CE-CD1 3.81Å; M132-L135 HydrophobicContact CE-CD2 4.42Å; M132-L135 HydrophobicContact CE-CG 4.28Å; M132-L135 WeakPolarHBondContact O-CG 3.22Å; M132-L135 PolarHBondContact O-N 2.88Å; I133-L135 VanDerWaalsContact C-N 3.3Å; L135-G137 PolarHBondContact O-N 3.13Å
136P78.8Confident79.1Confident84 Ų8493.9 Ų93.955%0.54553%0.53SS..  trans-65.6125.6171.1-18.131.3000110.8S138 H139P136-S138 PolarHBondContact O-N 2.8Å; P136-H139 WeakPolarHBondContact O-CB 3.39Å; P136-H139 PolarHBondContact O-N 3.31Å
137G70Confident78.9Confident29 Ų2995.2 Ų95.230%0.29954%0.537SS..THydrogen-bonded Turntrans-65.510.117700000115.8L135 D140 S142 S143L135-G137 PolarHBondContact O-N 3.13Å; G137-D140 VanDerWaalsContact CA-OD1 3.22Å; G137-D140 WeakPolarHBondContact CA-OD1 3.43Å; G137-S142 PolarHBondContact O-N 3.34Å; G137-S143 WeakPolarHBondContact O-CB 3.38Å; G137-S143 PolarHBondContact O-N 2.96Å; G137-S143 VanDerWaalsContact O-N 3.11Å
138S69.1Low79Confident97 Ų9796.7 Ų96.768%0.67854%0.538SS*.THydrogen-bonded Turntrans-91.7-12.7168.155.90000112.8P136P136-S138 PolarHBondContact O-N 2.8Å
139H67.9Low79Confident150 Ų15097.5 Ų97.569%0.69454%0.536SS*.SBendtrans-82.2-25-179.7-171.3-161.7000112.7P136P136-H139 WeakPolarHBondContact O-CB 3.39Å; P136-H139 PolarHBondContact O-N 3.31Å
140D69.4Low79Confident99 Ų99100.4 Ų100.453%0.52955%0.545SS..SBendtrans-118.64.9-173.662.8-22.2000113G137 S142G137-D140 VanDerWaalsContact CA-OD1 3.22Å; G137-D140 WeakPolarHBondContact CA-OD1 3.43Å; D140-S142 PolarHBondContact O-N 2.94Å; D140-S142 VanDerWaalsContact O-N 3.16Å; D140-S142 PolarHBondContact OD1-N 2.93Å; D140-S142 PolarHBondContact OD1-OG 3.23Å; D140-S142 WeakPolarHBondContact OD2-CB 3.49Å; D140-S142 PolarHBondContact OD2-OG 2.93Å
141N67.7Low79Confident148 Ų148100.1 Ų100.179%0.79154%0.543SS*.SBendtrans5717.9-174.3-57.2-75.1000114.9S143N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.02Å
142S69.5Low78.9Confident73 Ų73102.2 Ų102.251%0.5155%0.552SS.*  trans-80.8-2.2-178.968.80000114G137 D140 L144G137-S142 PolarHBondContact O-N 3.34Å; D140-S142 PolarHBondContact O-N 2.94Å; D140-S142 VanDerWaalsContact O-N 3.16Å; D140-S142 PolarHBondContact OD1-N 2.93Å; D140-S142 PolarHBondContact OD1-OG 3.23Å; D140-S142 WeakPolarHBondContact OD2-CB 3.49Å; D140-S142 PolarHBondContact OD2-OG 2.93Å; S142-L144 PolarHBondContact O-N 3.02Å
143S79.6Confident78.7Confident49 Ų49104.6 Ų104.634%0.34357%0.565SS.*  trans-61.1123.9-176.9-165.70000113.3G137 N141 R145 S146G137-S143 WeakPolarHBondContact O-CB 3.38Å; G137-S143 PolarHBondContact O-N 2.96Å; G137-S143 VanDerWaalsContact O-N 3.11Å; N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.02Å; S143-R145 PolarHBondContact O-N 2.88Å; S143-R145 PolarHBondContact OG-N 3.46Å; S143-S146 PolarHBondContact O-N 3.21Å; S143-S146 VanDerWaalsContact O-N 3.16Å
144L85.1Confident77.9Confident124 Ų124107.2 Ų107.265%0.64958%0.579SS**Hα-helixtrans-52.5-19.1169.2-63.7176.2000113.6S142 S146 L147 I148S142-L144 PolarHBondContact O-N 3.02Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.35Å; L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 2.94Å; L144-L147 VanDerWaalsContact O-N 3.15Å; L144-I148 HydrophobicContact CB-CD1 4.43Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 2.87Å
145R85.3Confident77.1Confident186 Ų186110 Ų11070%0.70260%0.604SS**Hα-helixtrans-55.8-42.7175.7-72.4-67.9-175.2145-2.7112.8S143 L147 I148 E149S143-R145 PolarHBondContact O-N 2.88Å; S143-R145 PolarHBondContact OG-N 3.46Å; R145-L147 VanDerWaalsContact C-N 3.27Å; R145-L147 PolarHBondContact O-N 2.97Å; R145-I148 PolarHBondContact O-N 3.11Å; R145-E149 VanDerWaalsContact O-CB 3.24Å; R145-E149 WeakPolarHBondContact O-CB 3.22Å; R145-E149 PolarHBondContact O-N 3.44Å
146S84.4Confident76.6Confident78 Ų78108.9 Ų108.955%0.54560%0.604SS.*Hα-helixtrans-63.1-35.7178.7-175.60000112.1S143 L144 K150S143-S146 PolarHBondContact O-N 3.21Å; S143-S146 VanDerWaalsContact O-N 3.16Å; L144-S146 VanDerWaalsContact C-N 3.31Å; L144-S146 PolarHBondContact O-N 3.35Å; S146-K150 PolarHBondContact O-N 3.35Å
147L85Confident76.5Confident98 Ų98109.8 Ų109.851%0.51361%0.612SS.*Hα-helixtrans-72.6-34.2177.2-166.276.6000112.5L144 R145 K150 P151 P152L144-L147 WeakPolarHBondContact O-CB 3.32Å; L144-L147 PolarHBondContact O-N 2.94Å; L144-L147 VanDerWaalsContact O-N 3.15Å; R145-L147 VanDerWaalsContact C-N 3.27Å; R145-L147 PolarHBondContact O-N 2.97Å; L147-K150 CarbonylContact O-C 3.55Å; L147-P151 WeakPolarHBondContact O-CA 3.47Å; L147-P152 VanDerWaalsContact CD1-CD 3.49Å; L147-P152 HydrophobicContact CD1-CG 3.53Å
148I87.1Confident77Confident127 Ų127116.2 Ų116.265%0.65163%0.632SS**Hα-helixtrans-77.3-41178.1-64.8162.5000111.1L144 R145L144-I148 HydrophobicContact CB-CD1 4.43Å; L144-I148 WeakPolarHBondContact O-CG1 3.46Å; L144-I148 PolarHBondContact O-N 2.87Å; R145-I148 PolarHBondContact O-N 3.11Å
149E86.3Confident77.6Confident170 Ų170118.3 Ų118.379%0.79464%0.636SS**Hα-helixtrans-74.1-40.7-178.9-176.9178.3169.900112R145 P151R145-E149 VanDerWaalsContact O-CB 3.24Å; R145-E149 WeakPolarHBondContact O-CB 3.22Å; R145-E149 PolarHBondContact O-N 3.44Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å
150K84.3Confident78.4Confident162 Ų162116.5 Ų116.570%0.70464%0.637SS**SBendtrans-122.677.4174.3-164.4177.769178.40109.7S146 L147S146-K150 PolarHBondContact O-N 3.35Å; L147-K150 CarbonylContact O-C 3.55Å
151P81Confident79.1Confident85 Ų85116.5 Ų116.555%0.55264%0.636SS**  trans-56.3128.8176.623.6-33.3000109.7L147 E149 I153L147-P151 WeakPolarHBondContact O-CA 3.47Å; E149-P151 WeakPolarHBondContact O-CD 3.46Å; P151-I153 PolarHBondContact O-N 3.35Å
152P76.9Confident80.2Confident71 Ų71112.8 Ų112.846%0.46162%0.619SS.*  trans-56.8132.7172.9-23.934.1000109.2L147 L154L147-P152 VanDerWaalsContact CD1-CD 3.49Å; L147-P152 HydrophobicContact CD1-CG 3.53Å; P152-L154 HydrophobicContact CB-CG 4.45Å; P152-L154 PolarHBondContact O-N 3.13Å
153I75.2Confident81.1Confident169 Ų169112.1 Ų112.187%0.86762%0.624SS**  trans-73.982.4-178.9-53.5175.1000108.2P151 S155P151-I153 PolarHBondContact O-N 3.35Å; I153-S155 PolarHBondContact O-N 3.22Å
154L68.1Low81.4Confident94 Ų94115.5 Ų115.549%0.49264%0.642SS.*  trans-83.390.1177.2-75.7158.4000109P152 S156 F158P152-L154 HydrophobicContact CB-CG 4.45Å; P152-L154 PolarHBondContact O-N 3.13Å; L154-S156 VanDerWaalsContact C-N 3.25Å; L154-F158 HydrophobicContact CD1-CE1 4.39Å; L154-F158 HydrophobicContact CD1-CE2 4.12Å; L154-F158 HydrophobicContact CD1-CZ 3.75Å; L154-F158 HydrophobicContact CD2-CD1 4.06Å; L154-F158 HydrophobicContact CD2-CE1 3.78Å; L154-F158 HydrophobicContact CD2-CE2 4.31Å; L154-F158 HydrophobicContact CD2-CG 4.45Å; L154-F158 HydrophobicContact CD2-CZ 3.91Å; L154-F158 HydrophobicContact CG-CZ 4.48Å
155S66.6Low81.5Confident123 Ų123115.2 Ų115.286%0.8664%0.639SS**SBendtrans-74-16.9171.854.10000113.2I153I153-S155 PolarHBondContact O-N 3.22Å
156S71.4Confident81.7Confident71 Ų71110.5 Ų110.550%0.49763%0.627SS.*SBendtrans-141.6171.3169.371.70000110.5L154L154-S156 VanDerWaalsContact C-N 3.25Å
157S76.3Confident81.8Confident102 Ų102109.5 Ų109.571%0.71362%0.624SS**PPolyproline II helixtrans-57.3156.9165.5460000111.6N159S157-N159 PolarHBondContact O-N 3.49Å
158F80.4Confident81.8Confident164 Ų164108.4 Ų108.472%0.71964%0.636SS**PPolyproline II helixtrans-59127.4175.8-63.4-83.7000111L154L154-F158 HydrophobicContact CD1-CE1 4.39Å; L154-F158 HydrophobicContact CD1-CE2 4.12Å; L154-F158 HydrophobicContact CD1-CZ 3.75Å; L154-F158 HydrophobicContact CD2-CD1 4.06Å; L154-F158 HydrophobicContact CD2-CE1 3.78Å; L154-F158 HydrophobicContact CD2-CE2 4.31Å; L154-F158 HydrophobicContact CD2-CG 4.45Å; L154-F158 HydrophobicContact CD2-CZ 3.91Å; L154-F158 HydrophobicContact CG-CZ 4.48Å
159N82.8Confident81.8Confident142 Ų142109.4 Ų109.476%0.75964%0.636SS**PPolyproline II helixtrans-66.9129.7168.8-72.8-30.3000109.4S157S157-N159 PolarHBondContact O-N 3.49Å
160P84Confident81.9Confident111 Ų111110.2 Ų110.272%0.72163%0.631SS**PPolyproline II helixtrans-63.7138.1177.626.7-34000110.4T162P160-T162 PolarHBondContact O-N 2.99Å
161I85.2Confident81.8Confident99 Ų99110.2 Ų110.251%0.50864%0.638SS.*PPolyproline II helixtrans-65.8120.1178.8-54.5178.8000108.6M165 L166I161-M165 HydrophobicContact CG2-CB 3.59Å; I161-M165 HydrophobicContact CG2-CE 4.44Å; I161-M165 HydrophobicContact CG2-SD 4.4Å; I161-L166 HydrophobicContact CB-CD2 4.46Å; I161-L166 HydrophobicContact CG2-CD2 3.75Å; I161-L166 HydrophobicContact CG2-CG 3.87Å
162T88.9Confident81.9Confident71 Ų71114.5 Ų114.544%0.43665%0.651SS.*PPolyproline II helixtrans-77.6157.3-178.957.90000111.7P160 T164 M165 L166P160-T162 PolarHBondContact O-N 2.99Å; T162-T164 PolarHBondContact O-N 3.38Å; T162-T164 VanDerWaalsContact O-N 3.12Å; T162-T164 PolarHBondContact OG1-OG1 3.02Å; T162-M165 WeakPolarHBondContact O-CB 3.34Å; T162-M165 PolarHBondContact O-N 3.07Å; T162-M165 WeakPolarHBondContact OG1-CG 3.19Å; T162-L166 PolarHBondContact O-N 2.94Å
163G88.7Confident82.2Confident59 Ų59118.3 Ų118.361%0.60867%0.673SS**Hα-helixtrans-57.6-28.4-178.700000114.4L166 A167G163-L166 PolarHBondContact O-N 3.24Å; G163-A167 PolarHBondContact O-N 3.11Å
164T87.4Confident82.6Confident120 Ų120113.2 Ų113.274%0.73666%0.662SS**Hα-helixtrans-69.8-39173.849.10000112.4T162 L166 A167T162-T164 PolarHBondContact O-N 3.38Å; T162-T164 VanDerWaalsContact O-N 3.12Å; T162-T164 PolarHBondContact OG1-OG1 3.02Å; T164-L166 VanDerWaalsContact C-N 3.32Å; T164-A167 VanDerWaalsContact O-CB 3.28Å; T164-A167 WeakPolarHBondContact O-CB 3.39Å; T164-A167 PolarHBondContact O-N 3.42Å
165M86.8Confident83.3Confident118 Ų118114.9 Ų114.958%0.58168%0.678SS**Hα-helixtrans-67.7-33.4172.7-65.4174.970.200111.8I161 T162 A167I161-M165 HydrophobicContact CG2-CB 3.59Å; I161-M165 HydrophobicContact CG2-CE 4.44Å; I161-M165 HydrophobicContact CG2-SD 4.4Å; T162-M165 WeakPolarHBondContact O-CB 3.34Å; T162-M165 PolarHBondContact O-N 3.07Å; T162-M165 WeakPolarHBondContact OG1-CG 3.19Å; M165-A167 PolarHBondContact O-N 3.09Å
166L89.6Confident84Confident87 Ų87113.5 Ų113.546%0.45566%0.661SS.*Hα-helixtrans-68.2-18.1175.3-68.2176.8000113.7I161 T162 G163 T164 G168 F169I161-L166 HydrophobicContact CB-CD2 4.46Å; I161-L166 HydrophobicContact CG2-CD2 3.75Å; I161-L166 HydrophobicContact CG2-CG 3.87Å; T162-L166 PolarHBondContact O-N 2.94Å; G163-L166 PolarHBondContact O-N 3.24Å; T164-L166 VanDerWaalsContact C-N 3.32Å; L166-G168 PolarHBondContact O-N 2.88Å; L166-F169 HydrophobicContact CD2-CD2 4.24Å; L166-F169 PolarHBondContact O-N 2.84Å
167A86.1Confident84.5Confident57 Ų57114 Ų11447%0.47166%0.663SS.*G310 helixtrans-59.3-29.9179.400000113.2G163 T164 M165 F169 R170G163-A167 PolarHBondContact O-N 3.11Å; T164-A167 VanDerWaalsContact O-CB 3.28Å; T164-A167 WeakPolarHBondContact O-CB 3.39Å; T164-A167 PolarHBondContact O-N 3.42Å; M165-A167 PolarHBondContact O-N 3.09Å; A167-F169 VanDerWaalsContact C-N 3.28Å; A167-F169 PolarHBondContact O-N 2.95Å; A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 VanDerWaalsContact O-CG 3.31Å; A167-R170 WeakPolarHBondContact O-CG 3.34Å; A167-R170 PolarHBondContact O-N 2.86Å
168G84.6Confident84.5Confident74 Ų74115.4 Ų115.476%0.76366%0.658SS**G310 helixtrans-72.1-14.217600000115.1L166L166-G168 PolarHBondContact O-N 2.88Å
169F87.7Confident84.3Confident149 Ų149115.4 Ų115.465%0.65466%0.66SS**G310 helixtrans-90.91.4177.6-64.6-97.4000112.8L166 A167 L171L166-F169 HydrophobicContact CD2-CD2 4.24Å; L166-F169 PolarHBondContact O-N 2.84Å; A167-F169 VanDerWaalsContact C-N 3.28Å; A167-F169 PolarHBondContact O-N 2.95Å; F169-L171 PolarHBondContact O-N 3.16Å; F169-L171 VanDerWaalsContact O-N 3.12Å
170R87.3Confident83.8Confident186 Ų186111.1 Ų111.170%0.70264%0.64SS**  trans-69.8107.3177.6-65.9176.971.2-104.12.9109.7A167 H172A167-R170 WeakPolarHBondContact O-CB 3.48Å; A167-R170 VanDerWaalsContact O-CG 3.31Å; A167-R170 WeakPolarHBondContact O-CG 3.34Å; A167-R170 PolarHBondContact O-N 2.86Å; R170-H172 PolarHBondContact O-N 3.38Å
171L83.7Confident83.3Confident162 Ų162112.1 Ų112.185%0.84863%0.63SS**PPolyproline II helixtrans-65.1132.7176.6-59.9179.5000110.8F169F169-L171 PolarHBondContact O-N 3.16Å; F169-L171 VanDerWaalsContact O-N 3.12Å
172H82.6Confident82.4Confident176 Ų176112.7 Ų112.782%0.81563%0.633SS**PPolyproline II helixtrans-75143.8168.4-70-80000110.4R170R170-H172 PolarHBondContact O-N 3.38Å
173T83.7Confident81.2Confident151 Ų151116.2 Ų116.293%0.92665%0.646SS**SBendtrans-69.1131.9173.344.80000110.4
174G83.7Confident80Confident61 Ų61120.8 Ų120.863%0.62965%0.652SS**SBendtrans159175.4-178.300000112.4L176G174-L176 PolarHBondContact O-N 2.93Å
175P81.6Confident79Confident130 Ų130119.5 Ų119.584%0.84464%0.64SS**PPolyproline II helixtrans-64.7127.1173.627.3-33.2000110.4
176L80.9Confident77.7Confident93 Ų93118.8 Ų118.849%0.48764%0.635SS.*PPolyproline II helixtrans-60.3135.3179.8-172.872.9000111G174 C180 R181G174-L176 PolarHBondContact O-N 2.93Å; L176-C180 HydrophobicContact CD1-CB 4.04Å; L176-C180 HydrophobicContact CD2-CB 3.72Å; L176-C180 HydrophobicContact CG-CB 3.73Å; L176-R181 HydrophobicContact CB-CG 4.39Å; L176-R181 HydrophobicContact CD2-CG 4.47Å; L176-R181 WeakPolarHBondContact O-CG 3.37Å
177P82.4Confident76.2Confident83 Ų83119 Ų11954%0.53964%0.641SS.*PPolyproline II helixtrans-52.2144.5178.4-29.236.4000113.1Q179 C180 R181P177-Q179 VanDerWaalsContact C-N 3.29Å; P177-Q179 PolarHBondContact O-N 3.15Å; P177-Q179 VanDerWaalsContact O-N 3.15Å; P177-C180 PolarHBondContact O-N 3.4Å; P177-R181 PolarHBondContact O-N 3.21Å
178E75.8Confident74.7Confident130 Ų130121.5 Ų121.561%0.60765%0.653SS**Hα-helixtrans-53.8-43.2-168.1173.3154.5-117.300114C180 R181E178-C180 VanDerWaalsContact C-N 3.31Å; E178-C180 PolarHBondContact O-N 3.02Å; E178-R181 WeakPolarHBondContact O-CB 3.5Å; E178-R181 PolarHBondContact O-N 3.36Å; E178-R181 IonicContact OE1-NH2 2.78Å; E178-R181 PolarHBondContact OE1-NH2 3.16Å
179Q75.9Confident73.4Confident164 Ų164126 Ų12677%0.76665%0.651SS**Hα-helixtrans-59.1-41.4179.3-65.4168-28.400111.9P177 R181 L182P177-Q179 VanDerWaalsContact C-N 3.29Å; P177-Q179 PolarHBondContact O-N 3.15Å; P177-Q179 VanDerWaalsContact O-N 3.15Å; Q179-R181 PolarHBondContact O-N 3.38Å; Q179-L182 PolarHBondContact O-N 2.67Å
180C73.4Confident71.8Confident52 Ų52128.5 Ų128.535%0.35166%0.662SS.*Hα-helixtrans-74.7-23.2-179.2-57.70000112.8L176 P177 E178 L182L176-C180 HydrophobicContact CD1-CB 4.04Å; L176-C180 HydrophobicContact CD2-CB 3.72Å; L176-C180 HydrophobicContact CG-CB 3.73Å; P177-C180 PolarHBondContact O-N 3.4Å; E178-C180 VanDerWaalsContact C-N 3.31Å; E178-C180 PolarHBondContact O-N 3.02Å; C180-L182 VanDerWaalsContact C-N 3.27Å; C180-L182 PolarHBondContact O-N 3.28Å
181R72.9Confident70.4Confident133 Ų133129 Ų12950%0.50267%0.669SS.*Hα-helixtrans-63.2-34.8174.8-58.6-170.7-63.3-162.6-4.8112L176 P177 E178 Q179 I185L176-R181 HydrophobicContact CB-CG 4.39Å; L176-R181 HydrophobicContact CD2-CG 4.47Å; L176-R181 WeakPolarHBondContact O-CG 3.37Å; P177-R181 PolarHBondContact O-N 3.21Å; E178-R181 WeakPolarHBondContact O-CB 3.5Å; E178-R181 PolarHBondContact O-N 3.36Å; E178-R181 IonicContact OE1-NH2 2.78Å; E178-R181 PolarHBondContact OE1-NH2 3.16Å; Q179-R181 PolarHBondContact O-N 3.38Å; R181-I185 WeakPolarHBondContact O-CG1 3.49Å
182L66.4Low68.8Low111 Ų111128.2 Ų128.258%0.58167%0.666SS**Hα-helixtrans-82.5-24.6-171-61.5174.6000113.5Q179 C180 H184 I185Q179-L182 PolarHBondContact O-N 2.67Å; C180-L182 VanDerWaalsContact C-N 3.27Å; C180-L182 PolarHBondContact O-N 3.28Å; L182-H184 VanDerWaalsContact C-N 3.27Å; L182-H184 PolarHBondContact O-N 3.15Å; L182-I185 HydrophobicContact CD2-CD1 3.71Å; L182-I185 PolarHBondContact O-N 2.78Å
183M63.8Low67.4Low144 Ų144128.8 Ų128.871%0.70967%0.666SS**THydrogen-bonded Turntrans-62.8-29.2-175.5-66.3-168.674.100114.3
184H64.1Low65.9Low156 Ų156129.9 Ų129.972%0.72266%0.66SS**THydrogen-bonded Turntrans-92.9-3.6-177.8-63.696.3000113.9L182 Q186L182-H184 VanDerWaalsContact C-N 3.27Å; L182-H184 PolarHBondContact O-N 3.15Å; H184-Q186 PolarHBondContact O-N 3.19Å
185I66.3Low64.2Low93 Ų93136.5 Ų136.548%0.47767%0.672SS.*  trans-76.8103.1-173.8-57.7-175.7000109.4R181 L182R181-I185 WeakPolarHBondContact O-CG1 3.49Å; L182-I185 HydrophobicContact CD2-CD1 3.71Å; L182-I185 PolarHBondContact O-N 2.78Å
186Q58.7Low62.6Low103 Ų103137.7 Ų137.748%0.48167%0.666SS.*PPolyproline II helixtrans-54.8130162.8-71.9-172.217.100108.7H184H184-Q186 PolarHBondContact O-N 3.19Å
187P59.3Low61Low91 Ų91142.9 Ų142.959%0.59168%0.684SS**PPolyproline II helixtrans-56.5127.3174.322-32000109K189P187-K189 PolarHBondContact O-N 3.38Å; P187-K189 VanDerWaalsContact O-N 3.09Å
188P54.6Low59.3Low110 Ų110146.9 Ų146.971%0.71470%0.696SS**PPolyproline II helixtrans-61.4119-165.220.2-32.4000111.1K190P188-K190 PolarHBondContact O-N 3.42Å
189K56.8Low57.7Low167 Ų167146.3 Ų146.373%0.72671%0.706SS**  trans-57.6101.7177.1-66.2-178.7-177.3177.80108.9P187 K191P187-K189 PolarHBondContact O-N 3.38Å; P187-K189 VanDerWaalsContact O-N 3.09Å; K189-K191 PolarHBondContact O-N 3.44Å
190K55Low56Low203 Ų203149.7 Ų149.788%0.88371%0.712SS**  trans-64.293-179-72.6-174.8178.61790110.1P188 N192P188-K190 PolarHBondContact O-N 3.42Å; K190-N192 PolarHBondContact O-N 3.49Å
191K56.1Low54.6Low197 Ų197153.1 Ų153.186%0.85773%0.732SS**  trans-61.1105.9172.3-56.6-176.9-174.3-177.90108.1K189 K193K189-K191 PolarHBondContact O-N 3.44Å; K191-K193 PolarHBondContact O-N 2.98Å
192N51.2Low52.9Low144 Ų144155.9 Ų155.977%0.7775%0.75SS**  trans-73.694.9-175.5-145.8-9.4000109K190 H194K190-N192 PolarHBondContact O-N 3.49Å; N192-H194 PolarHBondContact O-N 3.25Å
193K52.5Low51.3Low188 Ų188158 Ų15882%0.81776%0.762SS**  trans-75.886.8-170.8-162.6172.7-172.5175.60109.7K191 K195K191-K193 PolarHBondContact O-N 2.98Å; K193-K195 PolarHBondContact O-N 3.23Å
194H52.1Low50.7Low175 Ų175156.2 Ų156.281%0.8176%0.761SS**  trans-58.899170.9-79.8-80.1000109.8N192 H196N192-H194 PolarHBondContact O-N 3.25Å; H194-H196 VanDerWaalsContact C-N 3.33Å; H194-H196 PolarHBondContact O-N 3.34Å
195K47.9Very low49.2Very low200 Ų200155.2 Ų155.287%0.8777%0.766SS**  trans-68.391167.2-76.6-175.6174.9-178.60108.5K193 K197K193-K195 PolarHBondContact O-N 3.23Å; K195-K197 PolarHBondContact O-N 3.07Å; K195-K197 VanDerWaalsContact O-N 3.13Å
196H48.4Very low48.3Very low155 Ų155156 Ų15672%0.71878%0.777SS**  trans-74.9100.3163.8-149.3-73.5000108.4H194 Q198H194-H196 VanDerWaalsContact C-N 3.33Å; H194-H196 PolarHBondContact O-N 3.34Å; H196-Q198 PolarHBondContact O-N 3.38Å
197K47.2Very low47.9Very low202 Ų202155.8 Ų155.888%0.87879%0.785SS**  trans-64113159.6-107.6-163.9174.8-168.20106.5K195K195-K197 PolarHBondContact O-N 3.07Å; K195-K197 VanDerWaalsContact O-N 3.13Å
198Q48.1Very low46.6Very low166 Ų166158.8 Ų158.878%0.77679%0.791SS**  trans-130.6112.4146.5-93.1-168.71.100109.7H196H196-Q198 PolarHBondContact O-N 3.38Å
199S42.1Very low45.6Very low119 Ų119159.8 Ų159.883%0.83280%0.795SS**  trans-74.4121.8151.1160.30000106.8
200R39.3Very low45.1Very low235 Ų235158 Ų15889%0.88780%0.8SS**  trans-164131.2132.8-155.5165.4-177.8164.6-1.1111.1
201T43.3Very low44.2Very low124 Ų124154.2 Ų154.276%0.76180%0.799SS**  trans-64.5136.1170-39.60000111.3
202Q37.2Very low43.4Very low190 Ų190151.4 Ų151.489%0.88879%0.794SS**  177.5164119.2-96.1-177.6-5.600113.4
203D33.6Very low42.7Very low156 Ų156149.8 Ų149.883%0.83479%0.794SS**  trans-86-170.9-169.7-126.8-19.5000112.2
204P52Low42.5Very low106 Ų106147 Ų14769%0.68879%0.788SS**  trans-114.4-170-142.534-12.7000114.6
205V32.7Very low42Very low135 Ų135147.4 Ų147.482%0.81879%0.789SS**  trans119.3138163.61790000114.1
206P45.8Very low42Very low109 Ų109147.6 Ų147.671%0.70879%0.79SS**  trans-120.3-157.4-166.845.9-30.6000112.3
207P51.6Low41.9Very low100 Ų100149.7 Ų149.765%0.64980%0.797SS**  cis-127.5-157.9-29.524.11.3000112.9
208E32Very low42.1Very low154 Ų154150.3 Ų150.372%0.7280%0.8SS**  trans78.9103.7158-54.6-49.211500122.1
209T33.3Very low42.1Very low130 Ų130152 Ų15280%0.79881%0.805SS**  165.2147.7109.4370000111.8
210P46.5Very low42.2Very low130 Ų130155.9 Ų155.984%0.84481%0.807SS**  trans-86137.5-18034-32.7000111.9
211S34.5Very low42.4Very low123 Ų123154.7 Ų154.786%0.8681%0.808SS**  trans-135.9123.7173.5-159.50000112
212D39.5Very low42.5Very low139 Ų139158.2 Ų158.274%0.74381%0.813SS**  trans-67.1138.8174.3-176.6-16.5000111
213S36.4Very low43Very low110 Ų110157.4 Ų157.477%0.76981%0.809SS**  trans-165.597.4151.5-84.10000112.4H215S213-H215 PolarHBondContact O-N 3.33Å
214D48.3Very low43.6Very low129 Ų129158.7 Ų158.769%0.6981%0.81SS**  trans-60.3122160.9-175.5-31.9000111.1
215H43.4Very low44Very low183 Ų183157 Ų15785%0.84780%0.795SS**  trans-147.191164.1-97.52.1000115.7S213 K217S213-H215 PolarHBondContact O-N 3.33Å; H215-K217 PolarHBondContact O-N 3.26Å; H215-K217 VanDerWaalsContact O-N 3.11Å
216K46.9Very low45.4Very low205 Ų205154.4 Ų154.489%0.89178%0.781SS**  trans-44.797.8160.7-166.4178.6-163.2168.20114.3
217K46.2Very low46.3Very low199 Ų199156.3 Ų156.387%0.86578%0.781SS**  trans-128.593.4173.2-154.6164.9-170.1167.40116.1H215 K219H215-K217 PolarHBondContact O-N 3.26Å; H215-K217 VanDerWaalsContact O-N 3.11Å; K217-K219 PolarHBondContact O-N 2.79Å
218K52.2Low46.7Very low215 Ų215161.2 Ų161.294%0.93579%0.786SS**  trans-32.6105.6162.7-173.5180-1721760113.6
219K46.6Very low48.4Very low202 Ų202162 Ų16288%0.87879%0.787SS**  trans-110.2116.5174.3-162.6168.7-175174.30112.4K217K217-K219 PolarHBondContact O-N 2.79Å
220K44.1Very low50.2Low199 Ų199165.1 Ų165.187%0.86578%0.784SS**  trans-41.6134.6-179.4-83.9173.4166.2176.30114.4K222K220-K222 PolarHBondContact O-N 3.26Å
221K44Very low51.4Low210 Ų210167 Ų16791%0.91378%0.779SS**  trans-52118.5159.4-162179.8-171.6-176.40108.8
222K46.2Very low53.3Low199 Ų199169.5 Ų169.587%0.86577%0.774SS**  trans-89.8107.6170.2-172.9-179.8179.9-174.80107.9K220 E224K220-K222 PolarHBondContact O-N 3.26Å; K222-E224 PolarHBondContact O-N 3.39Å
223E46.4Very low55Low173 Ų173171 Ų17181%0.80877%0.774SS**  trans-73.6117.8174.6-175.9169-167.100109.5
224E47.3Very low56.8Low183 Ų183170.7 Ų170.786%0.85576%0.761SS**  trans-98.199.6173-166.2178.4139.600109.5K222 P226K222-E224 PolarHBondContact O-N 3.39Å; E224-P226 WeakPolarHBondContact O-CD 3.28Å
225D60.3Low58.1Low70 Ų70172.1 Ų172.137%0.37476%0.761SS.*  trans-19.6102.1171.9174.35.7000115.4E227 R228D225-E227 PolarHBondContact O-N 3.48Å; D225-E227 VanDerWaalsContact OD1-CA 3.28Å; D225-E227 WeakPolarHBondContact OD1-CA 3.45Å; D225-E227 WeakPolarHBondContact OD1-CB 3.31Å; D225-E227 PolarHBondContact OD1-N 3.43Å; D225-R228 PolarHBondContact OD1-N 3Å; D225-R228 VanDerWaalsContact OD1-N 3.15Å; D225-R228 WeakPolarHBondContact OD2-CD 3.08Å; D225-R228 WeakPolarHBondContact OD2-CG 3.46Å; D225-R228 IonicContact OD2-NE 3.45Å; D225-R228 PolarHBondContact OD2-NE 2.75Å
226P61.8Low59.5Low80 Ų80170.9 Ų170.952%0.51975%0.753SS.*SBendtrans-74.9-9.9174.930.7-34.8000113.7E224 K229 R230E224-P226 WeakPolarHBondContact O-CD 3.28Å; P226-K229 PolarHBondContact O-N 3.03Å; P226-R230 PolarHBondContact O-N 3.12Å
227E63.8Low60.8Low150 Ų150167.7 Ų167.770%0.70174%0.739SS**Hα-helixtrans-80.6-42.5-170.6-151.4167.8-124.700111.7D225 K229 R230 K231D225-E227 PolarHBondContact O-N 3.48Å; D225-E227 VanDerWaalsContact OD1-CA 3.28Å; D225-E227 WeakPolarHBondContact OD1-CA 3.45Å; D225-E227 WeakPolarHBondContact OD1-CB 3.31Å; D225-E227 PolarHBondContact OD1-N 3.43Å; E227-K229 PolarHBondContact O-N 3.42Å; E227-K229 VanDerWaalsContact O-N 3.15Å; E227-R230 PolarHBondContact O-N 2.92Å; E227-K231 PolarHBondContact O-N 3.35Å; E227-K231 VanDerWaalsContact O-N 3.14Å
228R61.5Low62Low202 Ų202164.9 Ų164.976%0.76273%0.727SS**Hα-helixtrans-52.2-35.6168.4-85.2174.4-174-139-2.3112.8D225 K232D225-R228 PolarHBondContact OD1-N 3Å; D225-R228 VanDerWaalsContact OD1-N 3.15Å; D225-R228 WeakPolarHBondContact OD2-CD 3.08Å; D225-R228 WeakPolarHBondContact OD2-CG 3.46Å; D225-R228 IonicContact OD2-NE 3.45Å; D225-R228 PolarHBondContact OD2-NE 2.75Å; R228-K232 PolarHBondContact O-N 3.18Å
229K66.9Low62.8Low172 Ų172163 Ų16375%0.74872%0.719SS**Hα-helixtrans-71.9-35.5-179.7-154.3171.1-172.2171.30112.3P226 E227 K233P226-K229 PolarHBondContact O-N 3.03Å; E227-K229 PolarHBondContact O-N 3.42Å; E227-K229 VanDerWaalsContact O-N 3.15Å; K229-K233 PolarHBondContact O-N 3.32Å
230R71.9Confident63.6Low194 Ų194159.8 Ų159.873%0.73271%0.711SS**Hα-helixtrans-67.3-48.1175.4-67.7177.5178.9-168.5-0.7111.2P226 E227 K232 K233 E234P226-R230 PolarHBondContact O-N 3.12Å; E227-R230 PolarHBondContact O-N 2.92Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 3.29Å; R230-K233 PolarHBondContact O-N 3.33Å; R230-E234 PolarHBondContact O-N 3.05Å; R230-E234 VanDerWaalsContact O-N 3.1Å
231K71.5Confident64.4Low169 Ų169159.6 Ų159.674%0.73571%0.705SS**Hα-helixtrans-59.3-35.9-179.5-149.5166-170.8169.30112.8E227 K235E227-K231 PolarHBondContact O-N 3.35Å; E227-K231 VanDerWaalsContact O-N 3.14Å; K231-K235 PolarHBondContact O-N 3.12Å
232K74.2Confident65.2Low176 Ų176157.6 Ų157.677%0.76570%0.699SS**Hα-helixtrans-70-36.3174.4-167.1171.1-176174.50113.3R228 R230 K236R228-K232 PolarHBondContact O-N 3.18Å; R230-K232 VanDerWaalsContact C-N 3.29Å; R230-K232 PolarHBondContact O-N 3.29Å; K232-K236 PolarHBondContact O-N 3.23Å
233K75Confident65.1Low170 Ų170153.6 Ų153.674%0.73970%0.696SS**Hα-helixtrans-68.7-40.7178.1-170177.7-179.7-178.60111.7K229 R230 K236 K237K229-K233 PolarHBondContact O-N 3.32Å; R230-K233 PolarHBondContact O-N 3.33Å; K233-K236 PolarHBondContact O-N 2.95Å; K233-K237 PolarHBondContact O-N 2.93Å; K233-K237 VanDerWaalsContact O-N 3.13Å
234E73.4Confident66Low105 Ų105150.4 Ų150.449%0.49169%0.69SS.*Hα-helixtrans-65.5-45.4179-162.7-160.8140.200112.2R230 K236 K237 K238R230-E234 PolarHBondContact O-N 3.05Å; R230-E234 VanDerWaalsContact O-N 3.1Å; E234-K236 PolarHBondContact O-N 3.4Å; E234-K237 PolarHBondContact O-N 2.97Å; E234-K238 PolarHBondContact O-N 2.78Å; E234-K238 IonicContact OE1-NZ 2.87Å; E234-K238 PolarHBondContact OE1-NZ 3.16Å
235K75.6Confident65.7Low158 Ų158148 Ų14869%0.68768%0.683SS**Hα-helixtrans-59.9-31.4178.1-163.9170-174.6174.10112.4K231 K239K231-K235 PolarHBondContact O-N 3.12Å; K235-K239 PolarHBondContact O-N 3.19Å
236K73.9Confident64.8Low157 Ų157153.5 Ų153.568%0.68371%0.706SS**Hα-helixtrans-72.2-39.4172.1-163.8175.8-177.7-178.40112.2K232 K233 E234 K239 N240K232-K236 PolarHBondContact O-N 3.23Å; K233-K236 PolarHBondContact O-N 2.95Å; E234-K236 PolarHBondContact O-N 3.4Å; K236-K239 PolarHBondContact O-N 3.13Å; K236-N240 PolarHBondContact O-N 3.27Å
237K74.1Confident64.2Low138 Ų138155.2 Ų155.260%0.672%0.717SS**Hα-helixtrans-67.1-35.8178.5-165178.7-178.5-175.70112.9K233 E234 N240K233-K237 PolarHBondContact O-N 2.93Å; K233-K237 VanDerWaalsContact O-N 3.13Å; E234-K237 PolarHBondContact O-N 2.97Å; K237-N240 PolarHBondContact O-N 2.63Å
238K71.6Confident62.8Low140 Ų140151.4 Ų151.461%0.60972%0.718SS**Hα-helixtrans-66.2-41.8174.3-88.6175.4174.4152.30112.7E234 N240 R241E234-K238 PolarHBondContact O-N 2.78Å; E234-K238 IonicContact OE1-NZ 2.87Å; E234-K238 PolarHBondContact OE1-NZ 3.16Å; K238-N240 VanDerWaalsContact C-N 3.25Å; K238-N240 PolarHBondContact O-N 3.31Å; K238-R241 PolarHBondContact O-N 3.4Å
239K69.1Low61.8Low175 Ų175151.3 Ų151.376%0.76173%0.729SS**Hα-helixtrans-61.9-31.8174.6-75.1-163170.2-157.70113.3K235 K236 R241K235-K239 PolarHBondContact O-N 3.19Å; K236-K239 PolarHBondContact O-N 3.13Å; K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.36Å
240N62.5Low60.3Low136 Ų136146.3 Ų146.373%0.72773%0.726SS**THydrogen-bonded Turntrans-84.411.4-176.8-133.396000114.6K236 K237 K238K236-N240 PolarHBondContact O-N 3.27Å; K237-N240 PolarHBondContact O-N 2.63Å; K238-N240 VanDerWaalsContact C-N 3.25Å; K238-N240 PolarHBondContact O-N 3.31Å
241R62.3Low58.6Low194 Ų194142.3 Ų142.373%0.73273%0.728SS**THydrogen-bonded Turntrans-113.1-1.6-179.5-88.1-171.5168.1-172.5-5.4114.7K238 K239K238-R241 PolarHBondContact O-N 3.4Å; K239-R241 VanDerWaalsContact C-N 3.26Å; K239-R241 PolarHBondContact O-N 3.36Å
242H59.8Low57.4Low169 Ų169140 Ų14078%0.78273%0.733SS**SBendtrans-120.655.3-178.3-84.9-57.1000113.2
243S43.9Very low55.7Low114 Ų114140.3 Ų140.380%0.79774%0.737SS**  trans-147.8114.5152-60.50000108
244P65Low54.1Low106 Ų106136.9 Ų136.969%0.68874%0.741SS**  trans-88.7162.7169.237.1-32.7000111.2
245D40.7Very low52.4Low133 Ų133136.8 Ų136.871%0.71175%0.752SS**  trans69.2139.8169.3-51.7-57.7000117
246H42.2Very low50.8Low185 Ų185134.8 Ų134.886%0.85676%0.758SS**  cis-125.3152.522.2-65.8-105.2000114.8
247P49Very low49.3Very low116 Ų116132.9 Ų132.975%0.75376%0.764SS**  trans-89.8139.4152.734.9-28.1000110.8
248G33.9Very low47.8Very low70 Ų70131 Ų13172%0.72277%0.768SS**  trans-157.8131.7178.300000113.7
249M40.5Very low46.6Very low200 Ų200129 Ų12999%0.98577%0.772SS**  trans66.994.6168.5-69.1153.7170.300117.2
250G35.8Very low45.5Very low67 Ų67128.4 Ų128.469%0.69178%0.776SS**  trans-101.6-16215100000111.8
251S37.3Very low44.5Very low111 Ų111137.5 Ų137.578%0.77680%0.8SS**  trans60.3104.7168.458.90000119.3
252S45.4Very low43.6Very low119 Ų119134.7 Ų134.783%0.83280%0.804SS**  49.3120.2112.6-46.50000120.7
253Q39.5Very low42.8Very low183 Ų183132.8 Ų132.886%0.85581%0.805SS**  -154.5136.8118.2-127.3178.7700112.6
254A41.4Very low42.7Very low99 Ų99133.9 Ų133.982%0.81881%0.805SS**  trans-99.1142.3157.400000107.8
255S37.3Very low41.4Very low103 Ų103135.5 Ų135.572%0.7281%0.812SS**  trans-146.5127.1169.1-73.10000110
256S42.2Very low41.5Very low116 Ų116135.7 Ų135.781%0.81182%0.818SS**  trans-87.5-172.6175.4-56.20000111.4
257S42.2Very low41.4Very low116 Ų116132.4 Ų132.481%0.81182%0.816SS**  trans83.7145.6173.682.70000115.7
258S43.2Very low40.9Very low99 Ų99133.6 Ų133.669%0.69282%0.82SS**  cis-171.9160.9-18.347.30000110.7
259S44.7Very low41.4Very low97 Ų97138.5 Ų138.568%0.67883%0.828SS**  trans75.6117.1149.3-60.50000120.9
260L46.1Very low41.5Very low164 Ų164133.3 Ų133.386%0.85982%0.815SS**  51.9102.2124.8-59.1167.4000118.8
261R42.5Very low42Very low326 Ų326139.4 Ų139.4100%1.2383%0.826SS**  -163.30108.5-105173-175.6-174.11.3111.5

Retrieved 261 of 261 residues in 45.9 ms (Link to these results)