A0A2K5NCV4_CERAT Loading...

Acyl carrier protein

Carrier of the growing fatty acid chain in fatty acid biosynthesis.

AlphaFold DB , UniProt , Accession A0A2K5NCV4, Species CERAT (Cercocebus atys, Sooty mangabey), Gene NDUFAB1, Length 156 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
1M52.6Low53.1Low250 Ų250164.8 Ų164.8100%1.23287%0.868SS**  0100.80-72.1155.5161.900105.4
2A47.5Very low52.7Low105 Ų105171.8 Ų171.887%0.86887%0.873SS**  -157.6107.954.500000109.8
3S47.8Very low53Low115 Ų115171.9 Ų171.980%0.80488%0.876SS**  trans-103.7142157.2-28.10000105.4
4R59Low53Low240 Ų240168.2 Ų168.291%0.90687%0.869SS**  trans107.983.4177.2-60165-178.3-161.10.4114.4
5V57.5Low53.3Low145 Ų145164 Ų16488%0.87987%0.869SS**  trans-140.290.4132.2-173.30000107
6L52.6Low53.1Low155 Ų155159.7 Ų159.781%0.81286%0.864SS**  trans-69.8150.4165.5-78.7165000109.4
7S52.3Low52.9Low112 Ų112162.9 Ų162.978%0.78387%0.868SS**  trans66.486.2132.5-179.80000117.1
8S59.7Low53.1Low92 Ų92158.4 Ų158.464%0.64386%0.858SS**  trans-159.123.4161.656.30000118.1
9Y49.8Very low53.4Low226 Ų226156.5 Ų156.589%0.88686%0.855SS**  trans-138.244.9171.4-81.4-80.3000115.2
10V53.7Low54Low142 Ų142156.8 Ų156.886%0.86185%0.854SS**  trans-103100.2152.7176.60000107.6
11R51.3Low54.1Low231 Ų231154.6 Ų154.687%0.87285%0.848SS**  trans156108.4150.7-92.8177.4-161.4-178.76.1109.5
12R49.3Very low54.5Low248 Ų248154.7 Ų154.794%0.93683%0.834SS**  trans-176.378.1136.2-100.4167.8-153.7-1316.3108.8
13L55.5Low55.3Low174 Ų174155.9 Ų155.991%0.91183%0.831SS**  trans-76.5123.9155.5-84.2156.5000107.2A15L13-A15 PolarHBondContact O-N 3.12Å
14P53.3Low55.6Low120 Ų120155.8 Ų155.878%0.77983%0.827SS**  trans-74.7108.7167.927.9-28.9000109.3A16P14-A16 PolarHBondContact O-N 3.05Å
15A57.8Low55.4Low105 Ų105153.7 Ų153.787%0.86883%0.83SS**  trans-67.8106.2163.400000109L13L13-A15 PolarHBondContact O-N 3.12Å
16A49.8Very low55.3Low95 Ų95154.5 Ų154.579%0.78583%0.829SS**  trans-128.164.6167.900000108.9P14 A18P14-A16 PolarHBondContact O-N 3.05Å; A16-A18 PolarHBondContact O-N 2.72Å
17F50.3Low55.1Low214 Ų214151.5 Ų151.594%0.93983%0.826SS**  trans-83.891.9167.7-133.6-95.2000107
18A56.9Low55.1Low82 Ų82152.3 Ų152.368%0.67883%0.826SS**PPolyproline II helixtrans-74.5135.2173.100000109.6A16 L20A16-A18 PolarHBondContact O-N 2.72Å; A18-L20 PolarHBondContact O-N 2.82Å
19P58.8Low54.6Low123 Ų123152.2 Ų152.280%0.79983%0.831SS**PPolyproline II helixtrans-75.4123.5177.929.2-30.9000110.3
20L64.1Low55.2Low161 Ų161152.6 Ų152.684%0.84383%0.831SS**PPolyproline II helixtrans-65141172.6-72.3167.9000111A18 R22A18-L20 PolarHBondContact O-N 2.82Å; L20-R22 PolarHBondContact O-N 3.5Å
21P57.2Low55.3Low111 Ų111151.6 Ų151.672%0.72183%0.827SS**PPolyproline II helixtrans-70.2129.8177.227.6-31.7000111V23P21-V23 PolarHBondContact O-N 2.86Å
22R61Low55.4Low252 Ų252148.6 Ų148.695%0.95183%0.828SS**  trans-61.7111.1173.8-75.5175.8167.4169.3-4.3110.2L20L20-R22 PolarHBondContact O-N 3.5Å
23V63.7Low55.4Low131 Ų131142.3 Ų142.379%0.79482%0.822SS**  trans-82.3131168.6-161.30000108.4P21 M25P21-V23 PolarHBondContact O-N 2.86Å; V23-M25 PolarHBondContact O-N 3.37Å
24P54.1Low55.3Low113 Ų113140.4 Ų140.473%0.73482%0.818SS**  trans-71.9124.3178.127.2-31000110.8L26P24-L26 PolarHBondContact O-N 3.22Å
25M54.8Low55Low195 Ų195138.3 Ų138.396%0.96182%0.818SS**  trans-65.5110.1168-102-152.7163.200109.9V23 A27V23-M25 PolarHBondContact O-N 3.37Å; M25-A27 PolarHBondContact O-N 3.22Å
26L54.5Low54.6Low162 Ų162141.4 Ų141.485%0.84882%0.819SS**  trans-83.699.5165.6-104156.5000108.8P24 V28P24-L26 PolarHBondContact O-N 3.22Å; L26-V28 PolarHBondContact O-N 2.99Å
27A49.7Very low54.1Low92 Ų92143 Ų14376%0.7682%0.823SS**  trans-66.2105.3171.100000110M25 A29M25-A27 PolarHBondContact O-N 3.22Å; A27-A29 PolarHBondContact O-N 2.93Å
28V51.9Low53.5Low129 Ų129137.9 Ų137.978%0.78281%0.814SS**  trans-81.693.5168174.80000107.9L26 R30L26-V28 PolarHBondContact O-N 2.99Å; V28-R30 PolarHBondContact O-N 3.41Å
29A49.6Very low53Low91 Ų91140.7 Ų140.775%0.75282%0.823SS**  trans-70.9115.2166.900000109.2A27 P31A27-A29 PolarHBondContact O-N 2.93Å; A29-P31 WeakPolarHBondContact O-CD 3.37Å
30R61.3Low52Low233 Ų233138.4 Ų138.488%0.87982%0.821SS**PPolyproline II helixtrans-83.2118.9167.6-79.4179.1151.5163-5.4108.9V28 L32V28-R30 PolarHBondContact O-N 3.41Å; R30-L32 PolarHBondContact O-N 2.99Å
31P56.6Low50.8Low121 Ų121137.6 Ų137.679%0.78682%0.823SS**PPolyproline II helixtrans-78.4120.5169.328.8-29000110.2A29 S33A29-P31 WeakPolarHBondContact O-CD 3.37Å; P31-S33 PolarHBondContact O-N 3.3Å
32L53.5Low50.3Low168 Ų168141.1 Ų141.188%0.8883%0.83SS**PPolyproline II helixtrans-59.6122156.9-118.288.5000107.7R30R30-L32 PolarHBondContact O-N 2.99Å
33S49.2Very low48.9Very low116 Ų116136 Ų13681%0.81183%0.827SS**  trans-130.199.1168.3-155.80000109.5P31P31-S33 PolarHBondContact O-N 3.3Å
34T53.6Low47.8Very low134 Ų134140 Ų14082%0.82283%0.828SS**  trans-83.2116162.445.60000108.1
35G47.2Very low46.9Very low77 Ų77141.9 Ų141.979%0.79483%0.831SS**  trans-139.2103.4171.100000110.1
36L49.6Very low46.1Very low170 Ų170136 Ų13689%0.8982%0.821SS**  trans-88.3165.1169.1-104.7146.5000110.2
37C37.8Very low45.9Very low127 Ų127134.1 Ų134.186%0.85882%0.818SS**  trans88.5144.5171.4-530000116.1
38S38.7Very low45.4Very low107 Ų107138.1 Ų138.175%0.74883%0.825SS**  cis-169.5147.9-22.7179.90000106.4
39V46.1Very low45.5Very low142 Ų142140.3 Ų140.386%0.86183%0.827SS**  trans5.5129156.3178.80000119.1
40G37.6Very low45.3Very low74 Ų74141.8 Ų141.876%0.76383%0.829SS**  trans-177.9133161.300000113.8
41T38.4Very low44.9Very low145 Ų145134.5 Ų134.589%0.8982%0.819SS**  trans-75.7161.5-16441.10000117.5
42Q46.5Very low44.2Very low184 Ų184136.7 Ų136.786%0.8682%0.823SS**  trans-37.9150.3176.6-63.4174.313.700117.5
43T33.3Very low43.8Very low146 Ų146138.1 Ų138.190%0.89682%0.822SS**  -169.1139.3118.1-66.80000111
44R39.7Very low43.4Very low214 Ų214140 Ų14081%0.80882%0.822SS**  trans-77.6148.8-175.1-176.7-169.2-177.3-129.54112.9
45L34.5Very low43.5Very low152 Ų152137.7 Ų137.780%0.79682%0.817SS**  161.4129.1125.2-84.1170000113.4
46G39.6Very low43.6Very low73 Ų73142.5 Ų142.575%0.75382%0.819SS**  trans132.1115.515600000116.1
47P49.2Very low43.9Very low121 Ų121140 Ų14079%0.78681%0.811SS**  trans-99.9127.9175.534.8-24.2000111.1
48L39.5Very low44.6Very low176 Ų176140.3 Ų140.392%0.92181%0.811SS**  trans-146.492.9155.2-73.9180000108.1
49Q53.6Low45.3Very low176 Ų176137.2 Ų137.282%0.82280%0.796SS**  trans-89.6123.3163.9-68.2-175.4-11.200108.3A51Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.19Å
50P45Very low45.9Very low121 Ų121141.4 Ų141.479%0.78680%0.796SS**  trans-78.793.4149.211.83.9000107.4L52P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.96Å
51A54.2Low46.7Very low81 Ų81143.7 Ų143.767%0.66980%0.795SS**  trans-70.987.616400000108.7Q49 K53Q49-A51 VanDerWaalsContact C-N 3.34Å; Q49-A51 PolarHBondContact O-N 3.19Å; A51-K53 PolarHBondContact O-N 3.35Å
52L42.3Very low47.8Very low167 Ų167141.6 Ų141.687%0.87478%0.782SS**  trans-84.1102.1160.7-77.7176.2000108P50 L54P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 2.96Å; L52-L54 PolarHBondContact O-N 3.45Å
53K43.6Very low48.4Very low197 Ų197140 Ų14086%0.85778%0.775SS**  trans-42.9116.8174.2-77.5-176.7166.1-177.70110.8A51 A55A51-K53 PolarHBondContact O-N 3.35Å; K53-A55 PolarHBondContact O-N 3.46Å
54L42Very low49.7Very low155 Ų155140.7 Ų140.781%0.81277%0.772SS**  trans-60.6107.1154.8-160.579.9000106L52 Q56L52-L54 PolarHBondContact O-N 3.45Å; L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 PolarHBondContact O-N 3.31Å
55A54.4Low51Low87 Ų87134.4 Ų134.472%0.71976%0.76SS**  trans-61.399.6168.400000106.8K53 V57K53-A55 PolarHBondContact O-N 3.46Å; A55-V57 VanDerWaalsContact C-N 3.26Å; A55-V57 PolarHBondContact O-N 3.45Å
56Q49.5Very low52.7Low177 Ų177136.2 Ų136.283%0.82776%0.756SS**  trans-65.195.6166.8-77.3173.4-14.800106.4L54 P58L54-Q56 VanDerWaalsContact C-N 3.3Å; L54-Q56 PolarHBondContact O-N 3.31Å; Q56-P58 WeakPolarHBondContact O-CD 3.48Å
57V56.4Low54Low119 Ų119140.3 Ų140.372%0.72176%0.756SS**  trans-61.6121.2165.41800000105.4A55 G59A55-V57 VanDerWaalsContact C-N 3.26Å; A55-V57 PolarHBondContact O-N 3.45Å; V57-G59 PolarHBondContact O-N 2.87Å
58P52.5Low55.1Low133 Ų133143.1 Ų143.186%0.86475%0.752SS**  trans-76.861.6171.834-31.9000107.5Q56Q56-P58 WeakPolarHBondContact O-CD 3.48Å
59G54.3Low57.1Low42 Ų42140 Ų14043%0.43375%0.745SS.*  trans-95.7102.5167.800000105.2V57 V61V57-G59 PolarHBondContact O-N 2.87Å; G59-V61 PolarHBondContact O-N 3.4Å
60R56.7Low58.3Low230 Ų230136.6 Ų136.687%0.86873%0.732SS**  trans-58.392.3154.7-168.2-178.5-172.8-170.82.2104.6T62R60-T62 PolarHBondContact O-N 3.37Å
61V54.5Low59.8Low122 Ų122139 Ų13974%0.73974%0.735SS**  trans-67.484.3167.4-178.90000103.4G59 Q63G59-V61 PolarHBondContact O-N 3.4Å; V61-Q63 HydrophobicContact CG1-CB 4.42Å; V61-Q63 PolarHBondContact O-N 3.4Å
62T61.4Low61Low100 Ų100140 Ų14061%0.61374%0.735SS**  trans-59.190.8154.130.50000103.9R60 L64R60-T62 PolarHBondContact O-N 3.37Å; T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.96Å
63Q60.7Low62.8Low151 Ų151137.6 Ų137.671%0.70673%0.729SS**  trans-60.9100.9174.3-161.8165.2-32.500104.8V61 C65V61-Q63 HydrophobicContact CG1-CB 4.42Å; V61-Q63 PolarHBondContact O-N 3.4Å; Q63-C65 PolarHBondContact O-N 3.45Å
64L59.7Low64.7Low161 Ų161130.9 Ų130.984%0.84370%0.702SS**  trans-67.571.4165.1-74.8162.8000105.8T62 R66T62-L64 VanDerWaalsContact C-N 3.26Å; T62-L64 PolarHBondContact O-N 2.96Å; L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 2.89Å
65C66.8Low67.1Low82 Ų82127.1 Ų127.155%0.55469%0.686SS**  trans-60.5105163.9-74.70000105.1Q63 Q67Q63-C65 PolarHBondContact O-N 3.45Å; C65-Q67 PolarHBondContact O-N 3.16Å
66R69.8Low68.9Low190 Ų190125 Ų12572%0.71766%0.662SS**  trans-67.5106.3169.4-64.9-170.3172.7-153.80.2106.2L64 Y68L64-R66 VanDerWaalsContact C-N 3.32Å; L64-R66 PolarHBondContact O-N 2.89Å; R66-Y68 VanDerWaalsContact C-N 3.29Å; R66-Y68 HydrophobicContact CB-CD2 3.54Å; R66-Y68 HydrophobicContact CB-CE2 3.22Å; R66-Y68 HydrophobicContact CB-CG 4.44Å; R66-Y68 VanDerWaalsContact CD-OH 3.3Å; R66-Y68 WeakPolarHBondContact CD-OH 3.02Å; R66-Y68 HydrophobicContact CG-CE2 3.94Å; R66-Y68 PolarHBondContact NH1-OH 3.06Å; R66-Y68 PolarHBondContact O-N 3.36Å
67Q67.3Low70.9Confident158 Ų158123.3 Ų123.374%0.73865%0.654SS**  trans-70.987.5176.6-71.8177.3-7.500108.3C65C65-Q67 PolarHBondContact O-N 3.16Å
68Y72.7Confident72.7Confident180 Ų180118.7 Ų118.771%0.70663%0.631SS**  trans-102-2.2173.8-68.9-60.2000112.6R66R66-Y68 VanDerWaalsContact C-N 3.29Å; R66-Y68 HydrophobicContact CB-CD2 3.54Å; R66-Y68 HydrophobicContact CB-CE2 3.22Å; R66-Y68 HydrophobicContact CB-CG 4.44Å; R66-Y68 VanDerWaalsContact CD-OH 3.3Å; R66-Y68 WeakPolarHBondContact CD-OH 3.02Å; R66-Y68 HydrophobicContact CG-CE2 3.94Å; R66-Y68 PolarHBondContact NH1-OH 3.06Å; R66-Y68 PolarHBondContact O-N 3.36Å
69S81.6Confident74.6Confident110 Ų110112.4 Ų112.477%0.76959%0.59SS**SBendtrans-97.5-12.2-174.849.40000113.9
70D78.1Confident76.5Confident105 Ų105115.7 Ų115.756%0.56159%0.59SS**PPolyproline II helixtrans-86.1121.8-176.3-62-54.8000109.8
71M77.7Confident78.4Confident172 Ų172109.9 Ų109.985%0.84758%0.576SS**PPolyproline II helixtrans-63.2127.8166.6-168.994.276.400107.2
72P78.2Confident80.3Confident101 Ų101107.7 Ų107.766%0.65655%0.554SS**PPolyproline II helixtrans-55.4142.117522.1-31.5000109.9L74P72-L74 PolarHBondContact O-N 3.49Å
73P80.4Confident81.9Confident117 Ų117103 Ų10376%0.7653%0.525SS*.PPolyproline II helixtrans-60.6134.7-179.324.8-32.7000110T75P73-T75 PolarHBondContact O-N 3.3Å
74L83.7Confident83.5Confident57 Ų5796.9 Ų96.930%0.29850%0.497SS..PPolyproline II helixtrans-69117.3173.3-72.3155.7000107.9P72 I79 F126 K152 V154P72-L74 PolarHBondContact O-N 3.49Å; L74-I79 HydrophobicContact CB-CD1 4.44Å; L74-I79 HydrophobicContact CB-CG1 4.35Å; L74-I79 HydrophobicContact CD2-CG1 4.49Å; L74-F126 HydrophobicContact CD2-CE1 4.42Å; L74-K152 HydrophobicContact CD1-CD 4.39Å; L74-K152 HydrophobicContact CD1-CG 4.39Å; L74-V154 HydrophobicContact CB-CG2 4.33Å; L74-V154 WeakPolarHBondContact O-CG1 3.38Å; L74-V154 WeakPolarHBondContact O-CG2 3.5Å
75T92.7Very high85.2Confident76 Ų7696 Ų9647%0.46648%0.484SS..PPolyproline II helixtrans-90.5158.1169.658.80000109.7P73 E77 G78 I79P73-T75 PolarHBondContact O-N 3.3Å; T75-E77 VanDerWaalsContact C-N 3.3Å; T75-E77 PolarHBondContact O-N 3.21Å; T75-G78 WeakPolarHBondContact O-CA 3.46Å; T75-G78 PolarHBondContact O-N 3.3Å; T75-G78 PolarHBondContact OG1-N 3.42Å; T75-G78 VanDerWaalsContact OG1-N 3.13Å; T75-I79 WeakPolarHBondContact O-CG1 3.38Å; T75-I79 PolarHBondContact O-N 3.37Å
76L91.5Very high86.5Confident41 Ų4193.1 Ų93.122%0.21546%0.464CS..Hα-helixtrans-58.4-42.8175.7-68.7-165.7000112.3G78 I79 R80 A149 V154 E156L76-G78 VanDerWaalsContact C-N 3.29Å; L76-G78 PolarHBondContact O-N 3.1Å; L76-I79 HydrophobicContact CD2-CD1 4.29Å; L76-I79 PolarHBondContact O-N 3.44Å; L76-R80 WeakPolarHBondContact O-CB 3.39Å; L76-R80 PolarHBondContact O-N 2.95Å; L76-A149 HydrophobicContact CD2-CB 3.44Å; L76-A149 VanDerWaalsContact CD2-CB 3.44Å; L76-V154 HydrophobicContact CD2-CB 4.07Å; L76-V154 HydrophobicContact CD2-CG1 3.63Å; L76-V154 WeakPolarHBondContact CD2-O 3.42Å; L76-V154 HydrophobicContact CG-CG1 4.03Å; L76-E156 HydrophobicContact CD1-CB 4.45Å; L76-E156 HydrophobicContact CD1-CG 3.25Å; L76-E156 HydrophobicContact CG-CG 4.17Å
77E92.7Very high87.7Confident142 Ų14284.1 Ų84.166%0.66443%0.43SS*.Hα-helixtrans-56.8-44.4173.1-63.8-178.7164.800111.2T75 I79 R80 D81T75-E77 VanDerWaalsContact C-N 3.3Å; T75-E77 PolarHBondContact O-N 3.21Å; E77-I79 PolarHBondContact O-N 3.42Å; E77-R80 PolarHBondContact O-N 3.07Å; E77-D81 WeakPolarHBondContact O-CB 3.33Å; E77-D81 VanDerWaalsContact O-CG 3.3Å; E77-D81 PolarHBondContact O-N 3.05Å
78G93Very high89Confident23 Ų2381.8 Ų81.824%0.23742%0.417CS..Hα-helixtrans-65.3-36177.800000113.4T75 L76 R82T75-G78 WeakPolarHBondContact O-CA 3.46Å; T75-G78 PolarHBondContact O-N 3.3Å; T75-G78 PolarHBondContact OG1-N 3.42Å; T75-G78 VanDerWaalsContact OG1-N 3.13Å; L76-G78 VanDerWaalsContact C-N 3.29Å; L76-G78 PolarHBondContact O-N 3.1Å; G78-R82 WeakPolarHBondContact O-CB 3.21Å; G78-R82 WeakPolarHBondContact O-CG 3.24Å; G78-R82 PolarHBondContact O-N 3.32Å; G78-R82 VanDerWaalsContact O-N 3.11Å
79I94Very high90Very high0 Ų078.3 Ų78.30%041%0.41CS..Hα-helixtrans-66-50.2173.9-65.9163.7000109.5L74 T75 L76 E77 D81 R82 V83 F126 V145 I148 V154L74-I79 HydrophobicContact CB-CD1 4.44Å; L74-I79 HydrophobicContact CB-CG1 4.35Å; L74-I79 HydrophobicContact CD2-CG1 4.49Å; T75-I79 WeakPolarHBondContact O-CG1 3.38Å; T75-I79 PolarHBondContact O-N 3.37Å; L76-I79 HydrophobicContact CD2-CD1 4.29Å; L76-I79 PolarHBondContact O-N 3.44Å; E77-I79 PolarHBondContact O-N 3.42Å; I79-D81 VanDerWaalsContact C-N 3.34Å; I79-D81 PolarHBondContact O-N 3.36Å; I79-R82 PolarHBondContact O-N 3.21Å; I79-V83 HydrophobicContact CG2-CG2 4.26Å; I79-V83 WeakPolarHBondContact O-CG2 3.41Å; I79-V83 PolarHBondContact O-N 2.72Å; I79-F126 HydrophobicContact CG1-CE1 4.24Å; I79-F126 HydrophobicContact CG2-CE1 4.28Å; I79-F126 HydrophobicContact CG2-CZ 4.12Å; I79-V145 HydrophobicContact CG2-CG1 4.08Å; I79-I148 HydrophobicContact CD1-CG2 4.09Å; I79-I148 HydrophobicContact CG1-CG2 4.21Å; I79-I148 HydrophobicContact CG2-CB 3.88Å; I79-I148 HydrophobicContact CG2-CD1 4.11Å; I79-I148 HydrophobicContact CG2-CG2 3.67Å; I79-V154 HydrophobicContact CD1-CB 4.23Å; I79-V154 HydrophobicContact CD1-CG1 4.37Å; I79-V154 HydrophobicContact CD1-CG2 4.31Å
80R94.4Very high90.6Very high112 Ų11275.1 Ų75.142%0.42338%0.382SS..Hα-helixtrans-56.1-48.1179-176.3-178.1-177.8164.47.7111.8L76 E77 R82 V83 L84 V145L76-R80 WeakPolarHBondContact O-CB 3.39Å; L76-R80 PolarHBondContact O-N 2.95Å; E77-R80 PolarHBondContact O-N 3.07Å; R80-R82 VanDerWaalsContact C-N 3.33Å; R80-R82 PolarHBondContact O-N 2.98Å; R80-V83 PolarHBondContact O-N 3.43Å; R80-L84 HydrophobicContact CG-CD1 4.2Å; R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 WeakPolarHBondContact O-CG 3.38Å; R80-L84 PolarHBondContact O-N 3.16Å; R80-V145 HydrophobicContact CB-CG1 4.32Å; R80-V145 HydrophobicContact CB-CG2 4.29Å; R80-V145 HydrophobicContact CG-CG2 4.49Å
81D94.8Very high91.3Very high108 Ų10878 Ų7858%0.57840%0.397SS*.Hα-helixtrans-62.8-40.9179.6-75.2-15.8000111.7E77 I79 Y85E77-D81 WeakPolarHBondContact O-CB 3.33Å; E77-D81 VanDerWaalsContact O-CG 3.3Å; E77-D81 PolarHBondContact O-N 3.05Å; I79-D81 VanDerWaalsContact C-N 3.34Å; I79-D81 PolarHBondContact O-N 3.36Å; D81-Y85 VanDerWaalsContact O-CB 3.24Å; D81-Y85 WeakPolarHBondContact O-CB 3.49Å; D81-Y85 PolarHBondContact O-N 3.29Å
82R94.4Very high92Very high76 Ų7675.3 Ų75.329%0.28738%0.381SS..Hα-helixtrans-67.2-43.9176.6-74.1177.975.2-162.45.8112.5G78 I79 R80 L84 Y85 V86 E125 F126G78-R82 WeakPolarHBondContact O-CB 3.21Å; G78-R82 WeakPolarHBondContact O-CG 3.24Å; G78-R82 PolarHBondContact O-N 3.32Å; G78-R82 VanDerWaalsContact O-N 3.11Å; I79-R82 PolarHBondContact O-N 3.21Å; R80-R82 VanDerWaalsContact C-N 3.33Å; R80-R82 PolarHBondContact O-N 2.98Å; R82-L84 PolarHBondContact O-N 3.05Å; R82-Y85 WeakPolarHBondContact O-CB 3.45Å; R82-Y85 PolarHBondContact O-N 2.59Å; R82-Y85 VanDerWaalsContact O-N 3.16Å; R82-V86 WeakPolarHBondContact O-CG2 3.5Å; R82-V86 PolarHBondContact O-N 3.3Å; R82-E125 IonicContact CZ-OE1 2.59Å; R82-E125 IonicContact NE-OE1 3.15Å; R82-E125 PolarHBondContact NE-OE1 3.34Å; R82-E125 PolarHBondContact NH2-O 3.04Å; R82-E125 IonicContact NH2-OE1 2.83Å; R82-E125 PolarHBondContact NH2-OE1 3.41Å; R82-E125 IonicContact NH2-OE2 2.64Å; R82-F126 HydrophobicContact CB-CZ 3.86Å
83V95.2Very high92.7Very high0 Ų070.8 Ų70.80%035%0.351CS..Hα-helixtrans-59.7-48.4176.2169.80000110.2I79 R80 Y85 V86 L87 M122 F126 P141 I144 V145 I148I79-V83 HydrophobicContact CG2-CG2 4.26Å; I79-V83 WeakPolarHBondContact O-CG2 3.41Å; I79-V83 PolarHBondContact O-N 2.72Å; R80-V83 PolarHBondContact O-N 3.43Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.24Å; V83-V86 PolarHBondContact O-N 2.89Å; V83-L87 HydrophobicContact CG1-CD1 4.09Å; V83-L87 WeakPolarHBondContact O-CG 3.49Å; V83-L87 PolarHBondContact O-N 3.2Å; V83-M122 HydrophobicContact CB-CE 4.36Å; V83-M122 HydrophobicContact CB-SD 4.4Å; V83-M122 HydrophobicContact CG1-CE 3.82Å; V83-M122 HydrophobicContact CG1-SD 4.29Å; V83-M122 HydrophobicContact CG2-SD 4.08Å; V83-F126 HydrophobicContact CG2-CE2 4.06Å; V83-F126 HydrophobicContact CG2-CZ 4.18Å; V83-P141 HydrophobicContact CG1-CB 4.46Å; V83-I144 HydrophobicContact CG1-CB 4.47Å; V83-I144 HydrophobicContact CG1-CG2 4.21Å; V83-I144 HydrophobicContact CG2-CG2 4.14Å; V83-V145 HydrophobicContact CB-CG2 3.94Å; V83-V145 HydrophobicContact CG1-CG2 4.07Å; V83-V145 HydrophobicContact CG2-CG2 3.9Å; V83-I148 HydrophobicContact CG2-CD1 3.59Å
84L94.9Very high93.3Very high24 Ų2469.2 Ų69.213%0.12634%0.336CS..Hα-helixtrans-63.9-34.4177-68.4175.7000112.3R80 R82 K88 L98 V100R80-L84 HydrophobicContact CG-CD1 4.2Å; R80-L84 WeakPolarHBondContact O-CB 3.43Å; R80-L84 WeakPolarHBondContact O-CG 3.38Å; R80-L84 PolarHBondContact O-N 3.16Å; R82-L84 PolarHBondContact O-N 3.05Å; L84-K88 WeakPolarHBondContact O-CG 3.43Å; L84-K88 PolarHBondContact O-N 3.05Å; L84-L98 HydrophobicContact CD2-CD2 3.8Å; L84-L98 HydrophobicContact CD2-CG 4.25Å; L84-V100 HydrophobicContact CD1-CG2 3.94Å; L84-V100 HydrophobicContact CD2-CG2 4.12Å
85Y94.8Very high93.6Very high141 Ų14170 Ų7055%0.55335%0.345SS*.Hα-helixtrans-63.9-48.4175.8178.9-102.3000111.7D81 R82 V83 L87 K88 L89D81-Y85 VanDerWaalsContact O-CB 3.24Å; D81-Y85 WeakPolarHBondContact O-CB 3.49Å; D81-Y85 PolarHBondContact O-N 3.29Å; R82-Y85 WeakPolarHBondContact O-CB 3.45Å; R82-Y85 PolarHBondContact O-N 2.59Å; R82-Y85 VanDerWaalsContact O-N 3.16Å; V83-Y85 VanDerWaalsContact C-N 3.27Å; V83-Y85 PolarHBondContact O-N 3.24Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; Y85-L87 PolarHBondContact O-N 3.13Å; Y85-K88 PolarHBondContact O-N 3.4Å; Y85-L89 HydrophobicContact CD1-CD1 4.16Å; Y85-L89 HydrophobicContact CE1-CD1 3.59Å; Y85-L89 HydrophobicContact CE1-CG 4.38Å; Y85-L89 PolarHBondContact O-N 3.06Å
86V95.3Very high93.6Very high22 Ų2275.6 Ų75.613%0.13337%0.365CS..Hα-helixtrans-59.6-44.1177174.30000110.9R82 V83 K88 L89 A121 M122 E125R82-V86 WeakPolarHBondContact O-CG2 3.5Å; R82-V86 PolarHBondContact O-N 3.3Å; V83-V86 PolarHBondContact O-N 2.89Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.91Å; V86-L89 WeakPolarHBondContact O-CB 3.03Å; V86-L89 PolarHBondContact O-N 2.87Å; V86-L89 VanDerWaalsContact O-N 3.1Å; V86-A121 HydrophobicContact CG1-CB 3.98Å; V86-M122 HydrophobicContact CB-CE 3.73Å; V86-M122 HydrophobicContact CB-SD 4.15Å; V86-M122 HydrophobicContact CG1-CE 3.69Å; V86-M122 HydrophobicContact CG1-SD 4.12Å; V86-M122 HydrophobicContact CG2-SD 4.48Å; V86-E125 HydrophobicContact CG2-CB 4.29Å; V86-E125 HydrophobicContact CG2-CG 3.93Å
87L94.4Very high93.5Very high1 Ų180.1 Ų80.11%0.00538%0.383CS..Hα-helixtrans-63.9-33.8178.5-69.5172.2000113.3V83 Y85 L89 Y90 I93 L98 F104 I118 M122 P141V83-L87 HydrophobicContact CG1-CD1 4.09Å; V83-L87 WeakPolarHBondContact O-CG 3.49Å; V83-L87 PolarHBondContact O-N 3.2Å; Y85-L87 VanDerWaalsContact C-N 3.33Å; Y85-L87 PolarHBondContact O-N 3.13Å; L87-L89 VanDerWaalsContact C-N 3.25Å; L87-L89 PolarHBondContact O-N 3.19Å; L87-Y90 PolarHBondContact O-N 3.11Å; L87-I93 HydrophobicContact CB-CD1 4.4Å; L87-I93 HydrophobicContact CD2-CD1 4.02Å; L87-L98 HydrophobicContact CB-CD1 3.96Å; L87-L98 HydrophobicContact CB-CD2 3.9Å; L87-L98 HydrophobicContact CD1-CD1 4.01Å; L87-F104 HydrophobicContact CD1-CE1 4.13Å; L87-F104 HydrophobicContact CD1-CZ 4.3Å; L87-F104 HydrophobicContact CD2-CE1 3.84Å; L87-F104 HydrophobicContact CD2-CZ 4.19Å; L87-I118 HydrophobicContact CD2-CD1 4.12Å; L87-I118 HydrophobicContact CD2-CG1 4.3Å; L87-I118 HydrophobicContact CD2-CG2 3.58Å; L87-M122 HydrophobicContact CD1-CE 4.46Å; L87-M122 HydrophobicContact CD2-CE 4.03Å; L87-M122 HydrophobicContact CG-CE 3.79Å; L87-P141 HydrophobicContact CD1-CB 3.69Å; L87-P141 HydrophobicContact CD1-CG 3.62Å
88K94.4Very high93.5Very high110 Ų11074.4 Ų74.448%0.47836%0.358SS..Hα-helixtrans-70-21.1175.4-73.5170.1-176.1174.80113.5L84 Y85 V86 Y90 P95 L98L84-K88 WeakPolarHBondContact O-CG 3.43Å; L84-K88 PolarHBondContact O-N 3.05Å; Y85-K88 PolarHBondContact O-N 3.4Å; V86-K88 VanDerWaalsContact C-N 3.31Å; V86-K88 PolarHBondContact O-N 2.91Å; K88-Y90 VanDerWaalsContact C-N 3.3Å; K88-P95 HydrophobicContact CG-CB 4Å; K88-L98 HydrophobicContact CG-CD2 3.83Å
89L93.5Very high93.5Very high107 Ų10776.2 Ų76.256%0.5637%0.367SS*.THydrogen-bonded Turntrans-83.2-9.8176.6-66.3178000112.8Y85 V86 L87 D91Y85-L89 HydrophobicContact CD1-CD1 4.16Å; Y85-L89 HydrophobicContact CE1-CD1 3.59Å; Y85-L89 HydrophobicContact CE1-CG 4.38Å; Y85-L89 PolarHBondContact O-N 3.06Å; V86-L89 WeakPolarHBondContact O-CB 3.03Å; V86-L89 PolarHBondContact O-N 2.87Å; V86-L89 VanDerWaalsContact O-N 3.1Å; L87-L89 VanDerWaalsContact C-N 3.25Å; L87-L89 PolarHBondContact O-N 3.19Å; L89-D91 PolarHBondContact O-N 3.28Å
90Y93.9Very high93.5Very high42 Ų4276.9 Ų76.917%0.16537%0.37CS..SBendtrans-81.6115.7179.8-164.8-106.3000110.2L87 K88 K92 I93 L110 D114 E117 I118L87-Y90 PolarHBondContact O-N 3.11Å; K88-Y90 VanDerWaalsContact C-N 3.3Å; Y90-K92 HydrophobicContact CD1-CB 3.95Å; Y90-K92 HydrophobicContact CE1-CB 3.72Å; Y90-K92 HydrophobicContact CE1-CD 3.88Å; Y90-K92 HydrophobicContact CE1-CG 3.97Å; Y90-K92 PolarHBondContact O-N 2.94Å; Y90-I93 HydrophobicContact CD1-CD1 3.93Å; Y90-I93 HydrophobicContact CD1-CG1 3.94Å; Y90-I93 HydrophobicContact CG-CD1 4.38Å; Y90-I93 PolarHBondContact O-N 3.32Å; Y90-L110 HydrophobicContact CE1-CD2 4.36Å; Y90-D114 HydrophobicContact CE1-CB 4.23Å; Y90-D114 WeakPolarHBondContact OH-CB 3.31Å; Y90-D114 PolarHBondContact OH-OD1 2.93Å; Y90-E117 HydrophobicContact CE2-CB 4.24Å; Y90-E117 WeakPolarHBondContact CE2-OE2 3.47Å; Y90-E117 PolarHBondContact OH-OE2 2.88Å; Y90-I118 HydrophobicContact CD1-CD1 4.45Å; Y90-I118 HydrophobicContact CD2-CG1 4.43Å; Y90-I118 HydrophobicContact CE1-CD1 4.48Å; Y90-I118 HydrophobicContact CG-CG1 4.45Å
91D92.9Very high93.4Very high167 Ų16777.1 Ų77.189%0.89338%0.38SS*.THydrogen-bonded Turntrans-57.6-22.9-169.4-70.4-25.3000115L89L89-D91 PolarHBondContact O-N 3.28Å
92K92.1Very high93.4Very high114 Ų11472.3 Ų72.350%0.49636%0.355SS..THydrogen-bonded Turntrans-85.6-10.9179.7-58.6-178178.5177.70113.6Y90 L110 D114Y90-K92 HydrophobicContact CD1-CB 3.95Å; Y90-K92 HydrophobicContact CE1-CB 3.72Å; Y90-K92 HydrophobicContact CE1-CD 3.88Å; Y90-K92 HydrophobicContact CE1-CG 3.97Å; Y90-K92 PolarHBondContact O-N 2.94Å; K92-L110 HydrophobicContact CB-CD2 3.95Å; K92-D114 VanDerWaalsContact CD-OD2 3.31Å; K92-D114 WeakPolarHBondContact CD-OD2 3.46Å; K92-D114 IonicContact NZ-OD1 3.05Å; K92-D114 PolarHBondContact NZ-OD1 3.48Å; K92-D114 IonicContact NZ-OD2 3.99Å; K92-D114 PolarHBondContact NZ-OD2 2.94Å
93I93.3Very high93.4Very high7 Ų770.4 Ų70.44%0.03635%0.349CS..SBendtrans-100.5125.5-178.9-67.2169.4000109.6L87 Y90 L98 L108 L110 I118L87-I93 HydrophobicContact CB-CD1 4.4Å; L87-I93 HydrophobicContact CD2-CD1 4.02Å; Y90-I93 HydrophobicContact CD1-CD1 3.93Å; Y90-I93 HydrophobicContact CD1-CG1 3.94Å; Y90-I93 HydrophobicContact CG-CD1 4.38Å; Y90-I93 PolarHBondContact O-N 3.32Å; I93-L98 HydrophobicContact CG2-CB 4.26Å; I93-L98 HydrophobicContact CG2-CD1 3.96Å; I93-L108 HydrophobicContact CD1-CD1 4.46Å; I93-L108 HydrophobicContact CG1-CD1 4.38Å; I93-L108 HydrophobicContact CG2-CD1 4.37Å; I93-L110 HydrophobicContact CD1-CD1 3.9Å; I93-L110 HydrophobicContact CG1-CD1 3.93Å; I93-L110 HydrophobicContact CG1-CD2 4.12Å; I93-I118 HydrophobicContact CD1-CD1 4.06Å
94D92.9Very high93.3Very high83 Ų8370.5 Ų70.544%0.44435%0.35SS..  trans-76.5120.6169.7-67.2-38.2000109.8E96 K97 L98D94-E96 PolarHBondContact O-N 3.13Å; D94-E96 VanDerWaalsContact O-N 3.12Å; D94-K97 HydrophobicContact CB-CB 4.22Å; D94-K97 HydrophobicContact CB-CD 4.06Å; D94-K97 HydrophobicContact CB-CG 4.1Å; D94-K97 PolarHBondContact O-N 3.04Å; D94-K97 WeakPolarHBondContact OD2-CE 3.38Å; D94-K97 IonicContact OD2-NZ 2.72Å; D94-K97 PolarHBondContact OD2-NZ 3.35Å; D94-L98 PolarHBondContact O-N 2.93Å
95P91.1Very high93.2Very high75 Ų7572.7 Ų72.749%0.48736%0.36SS..THydrogen-bonded Turntrans-65.6-20.9-175.827.4-36.2000113.3K88K88-P95 HydrophobicContact CG-CB 4Å
96E91.6Very high93.2Very high192 Ų19273.7 Ų73.790%0.89737%0.368SS*.THydrogen-bonded Turntrans-79.4-24.2177-62.1-172.4173.300113D94D94-E96 PolarHBondContact O-N 3.13Å; D94-E96 VanDerWaalsContact O-N 3.12Å
97K89.5Confident93.1Very high136 Ų13677.6 Ų77.659%0.59139%0.388SS*.THydrogen-bonded Turntrans-93.2-15.3177.7-64.4179.8-173153.50112.6D94 S99 L108D94-K97 HydrophobicContact CB-CB 4.22Å; D94-K97 HydrophobicContact CB-CD 4.06Å; D94-K97 HydrophobicContact CB-CG 4.1Å; D94-K97 PolarHBondContact O-N 3.04Å; D94-K97 WeakPolarHBondContact OD2-CE 3.38Å; D94-K97 IonicContact OD2-NZ 2.72Å; D94-K97 PolarHBondContact OD2-NZ 3.35Å; K97-S99 PolarHBondContact O-N 2.97Å; K97-L108 HydrophobicContact CB-CD2 4.21Å
98L93.1Very high93Very high23 Ų2379 Ų7912%0.1240%0.395CS..  trans-66.9115.1179.2-17579.2000110.3L84 L87 K88 I93 D94 L108L84-L98 HydrophobicContact CD2-CD2 3.8Å; L84-L98 HydrophobicContact CD2-CG 4.25Å; L87-L98 HydrophobicContact CB-CD1 3.96Å; L87-L98 HydrophobicContact CB-CD2 3.9Å; L87-L98 HydrophobicContact CD1-CD1 4.01Å; K88-L98 HydrophobicContact CG-CD2 3.83Å; I93-L98 HydrophobicContact CG2-CB 4.26Å; I93-L98 HydrophobicContact CG2-CD1 3.96Å; D94-L98 PolarHBondContact O-N 2.93Å; L98-L108 HydrophobicContact CD1-CD1 4.09Å
99S93.5Very high93Very high61 Ų6176.5 Ų76.543%0.42740%0.4SS..  trans-114.1166.1167.5-172.70000109.3K97 D101 S102K97-S99 PolarHBondContact O-N 2.97Å; S99-D101 VanDerWaalsContact C-N 3.27Å; S99-S102 PolarHBondContact N-OG 3.25Å; S99-S102 PolarHBondContact O-N 2.63Å; S99-S102 PolarHBondContact O-OG 3.24Å
100V92.8Very high93Very high13 Ų1371.9 Ų71.98%0.07938%0.376CS..THydrogen-bonded Turntrans-73.8-28.9178.3-162.60000110.9L84 P141 Q142L84-V100 HydrophobicContact CD1-CG2 3.94Å; L84-V100 HydrophobicContact CD2-CG2 4.12Å; V100-P141 WeakPolarHBondContact O-CB 3.48Å; V100-P141 WeakPolarHBondContact O-CD 3.38Å; V100-Q142 HydrophobicContact CG1-CB 4.1Å; V100-Q142 WeakPolarHBondContact O-CB 3.43Å; V100-Q142 PolarHBondContact O-N 3.1Å
101D93.9Very high93Very high117 Ų11775 Ų7563%0.62640%0.396SS*.THydrogen-bonded Turntrans-97.25179.1-50.1-46.8000113.1S99S99-D101 VanDerWaalsContact C-N 3.27Å
102S94Very high93Very high8 Ų870.7 Ų70.76%0.05638%0.379CS..  trans-73.9134.6-178.259.90000111.3S99 P141S99-S102 PolarHBondContact N-OG 3.25Å; S99-S102 PolarHBondContact O-N 2.63Å; S99-S102 PolarHBondContact O-OG 3.24Å; S102-P141 WeakPolarHBondContact O-CD 3.2Å
103H94.8Very high93.1Very high35 Ų3571.2 Ų71.216%0.16239%0.386CS..  trans-84.7128.8178.6-168.8-36000111M105 K106 D107 L108H103-M105 PolarHBondContact ND1-N 3.15Å; H103-M105 PolarHBondContact O-N 3.49Å; H103-K106 HydrophobicContact CB-CB 4.2Å; H103-K106 PolarHBondContact O-N 3.18Å; H103-D107 PolarHBondContact N-OD2 3.2Å; H103-D107 WeakPolarHBondContact O-CB 3.35Å; H103-D107 PolarHBondContact O-N 3.44Å; H103-L108 PolarHBondContact O-N 3.41Å
104F93.5Very high93.2Very high2 Ų271.3 Ų71.31%0.00939%0.387CS..THydrogen-bonded Turntrans-55.4-46.9-174.7-65.5-51.3000113.9L87 L108 G109 L110 I118 M139 P141 I144L87-F104 HydrophobicContact CD1-CE1 4.13Å; L87-F104 HydrophobicContact CD1-CZ 4.3Å; L87-F104 HydrophobicContact CD2-CE1 3.84Å; L87-F104 HydrophobicContact CD2-CZ 4.19Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 CarbonylContact O-C 3.59Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-G109 PolarHBondContact O-N 3.08Å; F104-L110 HydrophobicContact CB-CD1 4.12Å; F104-L110 HydrophobicContact CD1-CD1 4.01Å; F104-L110 HydrophobicContact CG-CD1 4.42Å; F104-L110 WeakPolarHBondContact O-CB 3.39Å; F104-L110 PolarHBondContact O-N 3.42Å; F104-I118 HydrophobicContact CD1-CD1 4.46Å; F104-M139 WeakPolarHBondContact CD2-O 3.37Å; F104-M139 WeakPolarHBondContact CG-O 3.46Å; F104-M139 PolarHBondContact N-O 3.21Å; F104-P141 HydrophobicContact CE1-CG 3.81Å; F104-P141 HydrophobicContact CZ-CB 4.5Å; F104-P141 HydrophobicContact CZ-CG 3.81Å; F104-I144 HydrophobicContact CE2-CD1 3.8Å; F104-I144 HydrophobicContact CZ-CD1 3.76Å
105M92.9Very high93.1Very high71 Ų7168.1 Ų68.135%0.3537%0.369SS..THydrogen-bonded Turntrans-81.2-41.1-178.8-61.6-179.1-177.500113.6H103 G109 Q115 M139H103-M105 PolarHBondContact ND1-N 3.15Å; H103-M105 PolarHBondContact O-N 3.49Å; M105-G109 WeakPolarHBondContact O-CA 3.4Å; M105-G109 PolarHBondContact O-N 3.31Å; M105-Q115 VanDerWaalsContact CE-OE1 3.25Å; M105-M139 HydrophobicContact CE-CE 4.15Å; M105-M139 HydrophobicContact CE-SD 4.25Å; M105-M139 HydrophobicContact SD-CE 4.47Å
106K93.4Very high93.2Very high162 Ų16268.4 Ų68.470%0.70437%0.369SS*.THydrogen-bonded Turntrans-83.4-38.9-169.9-61.8178.9-173165.80113.1H103H103-K106 HydrophobicContact CB-CB 4.2Å; H103-K106 PolarHBondContact O-N 3.18Å
107D93.4Very high93.3Very high104 Ų10463.5 Ų63.556%0.55635%0.347SS*.THydrogen-bonded Turntrans-101.5-42.2-172.3-57.9-35.1000111.6H103H103-D107 PolarHBondContact N-OD2 3.2Å; H103-D107 WeakPolarHBondContact O-CB 3.35Å; H103-D107 PolarHBondContact O-N 3.44Å
108L93.4Very high93.6Very high30 Ų3057.3 Ų57.316%0.15732%0.32CS..SBendtrans-91.1-14.9-180-56.9176.9000112.8I93 K97 L98 H103 F104 L110I93-L108 HydrophobicContact CD1-CD1 4.46Å; I93-L108 HydrophobicContact CG1-CD1 4.38Å; I93-L108 HydrophobicContact CG2-CD1 4.37Å; K97-L108 HydrophobicContact CB-CD2 4.21Å; L98-L108 HydrophobicContact CD1-CD1 4.09Å; H103-L108 PolarHBondContact O-N 3.41Å; F104-L108 HydrophobicContact CD1-CD1 4.02Å; F104-L108 CarbonylContact O-C 3.59Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 HydrophobicContact CB-CD1 4.41Å; L108-L110 HydrophobicContact CB-CG 4.07Å
109G92.8Very high93.7Very high57 Ų5756.5 Ų56.559%0.58832%0.316SS*.  trans68.730.9176.700000113.8F104 M105F104-G109 PolarHBondContact O-N 3.08Å; M105-G109 WeakPolarHBondContact O-CA 3.4Å; M105-G109 PolarHBondContact O-N 3.31Å
110L94.9Very high93.7Very high10 Ų1058.1 Ų58.15%0.05232%0.318CS..  trans-80.4150.2177.5-59.8-180000111.6Y90 K92 I93 F104 L108 D114 I118Y90-L110 HydrophobicContact CE1-CD2 4.36Å; K92-L110 HydrophobicContact CB-CD2 3.95Å; I93-L110 HydrophobicContact CD1-CD1 3.9Å; I93-L110 HydrophobicContact CG1-CD1 3.93Å; I93-L110 HydrophobicContact CG1-CD2 4.12Å; F104-L110 HydrophobicContact CB-CD1 4.12Å; F104-L110 HydrophobicContact CD1-CD1 4.01Å; F104-L110 HydrophobicContact CG-CD1 4.42Å; F104-L110 WeakPolarHBondContact O-CB 3.39Å; F104-L110 PolarHBondContact O-N 3.42Å; L108-L110 VanDerWaalsContact C-N 3.34Å; L108-L110 HydrophobicContact CB-CD1 4.41Å; L108-L110 HydrophobicContact CB-CG 4.07Å; L110-D114 HydrophobicContact CB-CB 4.06Å; L110-D114 HydrophobicContact CD2-CB 4.49Å; L110-I118 HydrophobicContact CD1-CD1 3.63Å
111D94.4Very high93.8Very high108 Ų10859.5 Ų59.558%0.57833%0.33SS*.  trans-84165.6176.2-70-23000111.7L113 D114 Q115D111-L113 PolarHBondContact O-N 3.07Å; D111-D114 PolarHBondContact N-OD2 2.88Å; D111-D114 WeakPolarHBondContact O-CB 3.48Å; D111-D114 PolarHBondContact O-N 3.4Å; D111-Q115 PolarHBondContact O-N 2.64Å
112S92.7Very high93.9Very high77 Ų7753.9 Ų53.954%0.53830%0.3SS..Hα-helixtrans-63.1-26.2177.660.50000113.6
113L93.4Very high93.9Very high125 Ų12555.3 Ų55.365%0.65431%0.306SS*.Hα-helixtrans-72.9-35.9173.8-65.5179.7000111.5D111 Q115 V116 E117D111-L113 PolarHBondContact O-N 3.07Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.78Å; L113-V116 PolarHBondContact O-N 3.03Å; L113-V116 VanDerWaalsContact O-N 3.15Å; L113-E117 PolarHBondContact O-N 3.08Å; L113-E117 VanDerWaalsContact O-N 3.08Å
114D94.4Very high93.9Very high8 Ų860.4 Ų60.44%0.04333%0.334CS..Hα-helixtrans-66.5-35.6178.9-61.3-15.2000110.6Y90 K92 L110 D111 V116 E117 I118Y90-D114 HydrophobicContact CE1-CB 4.23Å; Y90-D114 WeakPolarHBondContact OH-CB 3.31Å; Y90-D114 PolarHBondContact OH-OD1 2.93Å; K92-D114 VanDerWaalsContact CD-OD2 3.31Å; K92-D114 WeakPolarHBondContact CD-OD2 3.46Å; K92-D114 IonicContact NZ-OD1 3.05Å; K92-D114 PolarHBondContact NZ-OD1 3.48Å; K92-D114 IonicContact NZ-OD2 3.99Å; K92-D114 PolarHBondContact NZ-OD2 2.94Å; L110-D114 HydrophobicContact CB-CB 4.06Å; L110-D114 HydrophobicContact CD2-CB 4.49Å; D111-D114 PolarHBondContact N-OD2 2.88Å; D111-D114 WeakPolarHBondContact O-CB 3.48Å; D111-D114 PolarHBondContact O-N 3.4Å; D114-V116 PolarHBondContact O-N 3.28Å; D114-E117 PolarHBondContact O-N 3.31Å; D114-I118 VanDerWaalsContact O-CG1 3.32Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.38Å
115Q92.8Very high93.9Very high16 Ų1663.9 Ų63.98%0.07535%0.35CS..Hα-helixtrans-57.8-47.4171.4-176.8-176.70.900111.4M105 D111 L113 E117 I118 I119 A135 L138M105-Q115 VanDerWaalsContact CE-OE1 3.25Å; D111-Q115 PolarHBondContact O-N 2.64Å; L113-Q115 VanDerWaalsContact C-N 3.28Å; L113-Q115 PolarHBondContact O-N 2.78Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.38Å; Q115-I118 PolarHBondContact O-N 3.44Å; Q115-I119 WeakPolarHBondContact O-CG1 3.45Å; Q115-I119 PolarHBondContact O-N 3.05Å; Q115-A135 PolarHBondContact NE2-O 2.99Å; Q115-A135 VanDerWaalsContact NE2-O 3.08Å; Q115-L138 PolarHBondContact NE2-O 3.47Å; Q115-L138 VanDerWaalsContact NE2-O 3.1Å
116V93Very high93.8Very high82 Ų8261.1 Ų61.150%0.49734%0.337SS..Hα-helixtrans-62-40.5178.9177.20000111L113 D114 I119 M120L113-V116 PolarHBondContact O-N 3.03Å; L113-V116 VanDerWaalsContact O-N 3.15Å; D114-V116 PolarHBondContact O-N 3.28Å; V116-I119 PolarHBondContact O-N 3.27Å; V116-M120 HydrophobicContact CG1-CE 4.26Å; V116-M120 WeakPolarHBondContact O-CG 3.34Å; V116-M120 PolarHBondContact O-N 2.98Å
117E93.9Very high93.7Very high89 Ų8956.4 Ų56.442%0.41633%0.334SS..Hα-helixtrans-62.1-43.3175.4-69.2179.3-177.800113Y90 L113 D114 Q115 M120 A121Y90-E117 HydrophobicContact CE2-CB 4.24Å; Y90-E117 WeakPolarHBondContact CE2-OE2 3.47Å; Y90-E117 PolarHBondContact OH-OE2 2.88Å; L113-E117 PolarHBondContact O-N 3.08Å; L113-E117 VanDerWaalsContact O-N 3.08Å; D114-E117 PolarHBondContact O-N 3.31Å; Q115-E117 VanDerWaalsContact C-N 3.31Å; Q115-E117 PolarHBondContact O-N 3.38Å; E117-M120 HydrophobicContact CB-CE 4.42Å; E117-M120 HydrophobicContact CG-CE 4.15Å; E117-M120 PolarHBondContact O-N 2.95Å; E117-A121 PolarHBondContact O-N 3.45Å
118I94.8Very high93.7Very high5 Ų552.9 Ų52.93%0.02631%0.314CS..Hα-helixtrans-62.5-44.4176.7-71.4166.1000110.6L87 Y90 I93 F104 L110 D114 Q115 A121 M122 I144L87-I118 HydrophobicContact CD2-CD1 4.12Å; L87-I118 HydrophobicContact CD2-CG1 4.3Å; L87-I118 HydrophobicContact CD2-CG2 3.58Å; Y90-I118 HydrophobicContact CD1-CD1 4.45Å; Y90-I118 HydrophobicContact CD2-CG1 4.43Å; Y90-I118 HydrophobicContact CE1-CD1 4.48Å; Y90-I118 HydrophobicContact CG-CG1 4.45Å; I93-I118 HydrophobicContact CD1-CD1 4.06Å; F104-I118 HydrophobicContact CD1-CD1 4.46Å; L110-I118 HydrophobicContact CD1-CD1 3.63Å; D114-I118 VanDerWaalsContact O-CG1 3.32Å; D114-I118 WeakPolarHBondContact O-CG1 3.32Å; D114-I118 PolarHBondContact O-N 3.38Å; Q115-I118 PolarHBondContact O-N 3.44Å; I118-A121 PolarHBondContact O-N 2.95Å; I118-M122 HydrophobicContact CG2-CE 4.32Å; I118-M122 WeakPolarHBondContact O-CG 3.32Å; I118-M122 PolarHBondContact O-N 2.95Å; I118-I144 HydrophobicContact CG2-CD1 4.47Å
119I94.9Very high93.6Very high7 Ų759.2 Ų59.24%0.03634%0.343CS..Hα-helixtrans-61.8-46178.6-66.3-56.5000110.8Q115 V116 A121 M122 E123 I130 A135 L138 I144Q115-I119 WeakPolarHBondContact O-CG1 3.45Å; Q115-I119 PolarHBondContact O-N 3.05Å; V116-I119 PolarHBondContact O-N 3.27Å; I119-A121 VanDerWaalsContact C-N 3.28Å; I119-A121 PolarHBondContact O-N 3.29Å; I119-M122 WeakPolarHBondContact O-CB 3.31Å; I119-M122 PolarHBondContact O-N 3.29Å; I119-E123 HydrophobicContact CG2-CG 4.43Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.03Å; I119-I130 HydrophobicContact CG2-CB 4.19Å; I119-I130 HydrophobicContact CG2-CD1 3.95Å; I119-A135 HydrophobicContact CG1-CB 4.27Å; I119-A135 HydrophobicContact CG2-CB 3.95Å; I119-L138 HydrophobicContact CD1-CB 4.07Å; I119-L138 HydrophobicContact CD1-CD1 3.86Å; I119-I144 HydrophobicContact CD1-CD1 4.15Å; I119-I144 HydrophobicContact CD1-CG1 4.43Å
120M94.3Very high93.7Very high95 Ų9556.8 Ų56.847%0.46832%0.316SS..Hα-helixtrans-58.1-40.3175.3-70.4-174-62.300112.2V116 E117 M122 E123 D124V116-M120 HydrophobicContact CG1-CE 4.26Å; V116-M120 WeakPolarHBondContact O-CG 3.34Å; V116-M120 PolarHBondContact O-N 2.98Å; E117-M120 HydrophobicContact CB-CE 4.42Å; E117-M120 HydrophobicContact CG-CE 4.15Å; E117-M120 PolarHBondContact O-N 2.95Å; M120-M122 VanDerWaalsContact C-N 3.31Å; M120-M122 PolarHBondContact O-N 3.47Å; M120-E123 WeakPolarHBondContact O-CB 3.47Å; M120-E123 PolarHBondContact O-N 3.11Å; M120-D124 PolarHBondContact O-N 3.01Å; M120-D124 VanDerWaalsContact O-N 3.08Å
121A95.3Very high93.7Very high41 Ų4159.3 Ų59.334%0.33933%0.333SS..Hα-helixtrans-65.2-34.1176.400000112.8V86 E117 I118 I119 E125V86-A121 HydrophobicContact CG1-CB 3.98Å; E117-A121 PolarHBondContact O-N 3.45Å; I118-A121 PolarHBondContact O-N 2.95Å; I119-A121 VanDerWaalsContact C-N 3.28Å; I119-A121 PolarHBondContact O-N 3.29Å; A121-E125 WeakPolarHBondContact O-CB 3.41Å; A121-E125 PolarHBondContact O-N 3.37Å; A121-E125 VanDerWaalsContact O-N 3.11Å
122M95.1Very high93.6Very high0 Ų060.3 Ų60.30%034%0.339CS..Hα-helixtrans-71.6-40.6175.6-65.4-65170.600112V83 V86 L87 I118 I119 M120 D124 E125 F126 I144V83-M122 HydrophobicContact CB-CE 4.36Å; V83-M122 HydrophobicContact CB-SD 4.4Å; V83-M122 HydrophobicContact CG1-CE 3.82Å; V83-M122 HydrophobicContact CG1-SD 4.29Å; V83-M122 HydrophobicContact CG2-SD 4.08Å; V86-M122 HydrophobicContact CB-CE 3.73Å; V86-M122 HydrophobicContact CB-SD 4.15Å; V86-M122 HydrophobicContact CG1-CE 3.69Å; V86-M122 HydrophobicContact CG1-SD 4.12Å; V86-M122 HydrophobicContact CG2-SD 4.48Å; L87-M122 HydrophobicContact CD1-CE 4.46Å; L87-M122 HydrophobicContact CD2-CE 4.03Å; L87-M122 HydrophobicContact CG-CE 3.79Å; I118-M122 HydrophobicContact CG2-CE 4.32Å; I118-M122 WeakPolarHBondContact O-CG 3.32Å; I118-M122 PolarHBondContact O-N 2.95Å; I119-M122 WeakPolarHBondContact O-CB 3.31Å; I119-M122 PolarHBondContact O-N 3.29Å; M120-M122 VanDerWaalsContact C-N 3.31Å; M120-M122 PolarHBondContact O-N 3.47Å; M122-D124 VanDerWaalsContact C-N 3.32Å; M122-D124 PolarHBondContact O-N 3.11Å; M122-E125 PolarHBondContact O-N 3.43Å; M122-F126 WeakPolarHBondContact O-CD2 3.37Å; M122-F126 PolarHBondContact O-N 3.04Å; M122-F126 VanDerWaalsContact O-N 3.11Å; M122-F126 HydrophobicContact SD-CE2 4.47Å; M122-I144 HydrophobicContact CG-CG2 4.14Å; M122-I144 HydrophobicContact SD-CG2 4.35Å
123E94.4Very high93.6Very high37 Ų3761.2 Ų61.217%0.17334%0.341CS..Hα-helixtrans-57-46.9174.3-71.3177160.900111.6I119 M120 G127 F128 I130I119-E123 HydrophobicContact CG2-CG 4.43Å; I119-E123 WeakPolarHBondContact O-CG 3.44Å; I119-E123 PolarHBondContact O-N 3.03Å; M120-E123 WeakPolarHBondContact O-CB 3.47Å; M120-E123 PolarHBondContact O-N 3.11Å; E123-G127 VanDerWaalsContact O-CA 3.31Å; E123-G127 WeakPolarHBondContact O-CA 3.22Å; E123-G127 PolarHBondContact O-N 2.98Å; E123-F128 WeakPolarHBondContact CA-O 3.46Å; E123-F128 WeakPolarHBondContact CB-O 3.45Å; E123-F128 WeakPolarHBondContact CG-O 3.41Å; E123-F128 PolarHBondContact O-N 3.36Å; E123-I130 HydrophobicContact CG-CB 4.29Å; E123-I130 HydrophobicContact CG-CD1 4.06Å; E123-I130 HydrophobicContact CG-CG1 3.96Å; E123-I130 WeakPolarHBondContact OE1-CA 3.47Å; E123-I130 VanDerWaalsContact OE1-CB 3.26Å; E123-I130 WeakPolarHBondContact OE1-CB 3.35Å; E123-I130 PolarHBondContact OE1-N 3.22Å
124D94.4Very high93.7Very high142 Ų14257.6 Ų57.676%0.75932%0.323SS*.Hα-helixtrans-63.2-42.3177.2-79.1-16.3000112.2M120 M122 F126M120-D124 PolarHBondContact O-N 3.01Å; M120-D124 VanDerWaalsContact O-N 3.08Å; M122-D124 VanDerWaalsContact C-N 3.32Å; M122-D124 PolarHBondContact O-N 3.11Å; D124-F126 PolarHBondContact O-N 3.32Å
125E92.8Very high93.6Very high75 Ų7557.9 Ų57.935%0.3533%0.326SS..Hα-helixtrans-67-35.3-177.918063.5-166.700112.8R82 V86 A121 M122R82-E125 IonicContact CZ-OE1 2.59Å; R82-E125 IonicContact NE-OE1 3.15Å; R82-E125 PolarHBondContact NE-OE1 3.34Å; R82-E125 PolarHBondContact NH2-O 3.04Å; R82-E125 IonicContact NH2-OE1 2.83Å; R82-E125 PolarHBondContact NH2-OE1 3.41Å; R82-E125 IonicContact NH2-OE2 2.64Å; V86-E125 HydrophobicContact CG2-CB 4.29Å; V86-E125 HydrophobicContact CG2-CG 3.93Å; A121-E125 WeakPolarHBondContact O-CB 3.41Å; A121-E125 PolarHBondContact O-N 3.37Å; A121-E125 VanDerWaalsContact O-N 3.11Å; M122-E125 PolarHBondContact O-N 3.43Å
126F92.4Very high93.5Very high13 Ų1363.7 Ų63.76%0.05735%0.353CS..Hα-helixtrans-106.9-4.4-176.6-68.6-86.6000114.4L74 I79 R82 V83 M122 D124 F128 I148 K152L74-F126 HydrophobicContact CD2-CE1 4.42Å; I79-F126 HydrophobicContact CG1-CE1 4.24Å; I79-F126 HydrophobicContact CG2-CE1 4.28Å; I79-F126 HydrophobicContact CG2-CZ 4.12Å; R82-F126 HydrophobicContact CB-CZ 3.86Å; V83-F126 HydrophobicContact CG2-CE2 4.06Å; V83-F126 HydrophobicContact CG2-CZ 4.18Å; M122-F126 WeakPolarHBondContact O-CD2 3.37Å; M122-F126 PolarHBondContact O-N 3.04Å; M122-F126 VanDerWaalsContact O-N 3.11Å; M122-F126 HydrophobicContact SD-CE2 4.47Å; D124-F126 PolarHBondContact O-N 3.32Å; F126-F128 HydrophobicContact CB-CD1 3.52Å; F126-F128 HydrophobicContact CB-CE1 3.27Å; F126-F128 HydrophobicContact CB-CZ 4.4Å; F126-F128 HydrophobicContact CG-CE1 4.08Å; F126-I148 HydrophobicContact CD1-CG2 3.86Å; F126-I148 HydrophobicContact CD2-CD1 3.81Å; F126-I148 HydrophobicContact CD2-CG1 4.46Å; F126-I148 HydrophobicContact CE1-CG2 3.94Å; F126-I148 HydrophobicContact CE2-CD1 3.56Å; F126-I148 HydrophobicContact CG-CD1 4.42Å; F126-I148 HydrophobicContact CG-CG2 4.24Å; F126-I148 HydrophobicContact CZ-CD1 3.95Å; F126-I148 HydrophobicContact CZ-CG2 4.39Å; F126-K152 PolarHBondContact O-NZ 3.39Å
127G91.3Very high93.5Very high64 Ų6465.7 Ų65.766%0.6636%0.355SS*.THydrogen-bonded Turntrans6743.2173.900000113.5E123E123-G127 VanDerWaalsContact O-CA 3.31Å; E123-G127 WeakPolarHBondContact O-CA 3.22Å; E123-G127 PolarHBondContact O-N 2.98Å
128F91.4Very high93.6Very high29 Ų2962 Ų6213%0.12734%0.338CS..  trans-144.3162.3174.569.5-97.3000111.1E123 F126 I130 Y147 I148E123-F128 WeakPolarHBondContact CA-O 3.46Å; E123-F128 WeakPolarHBondContact CB-O 3.45Å; E123-F128 WeakPolarHBondContact CG-O 3.41Å; E123-F128 PolarHBondContact O-N 3.36Å; F126-F128 HydrophobicContact CB-CD1 3.52Å; F126-F128 HydrophobicContact CB-CE1 3.27Å; F126-F128 HydrophobicContact CB-CZ 4.4Å; F126-F128 HydrophobicContact CG-CE1 4.08Å; F128-I130 HydrophobicContact CD2-CG1 3.98Å; F128-I130 HydrophobicContact CE2-CD1 3.73Å; F128-I130 HydrophobicContact CE2-CG1 3.37Å; F128-I130 HydrophobicContact CZ-CD1 4.24Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; F128-Y147 HydrophobicContact CE2-CD1 4.27Å; F128-Y147 AromaticContact CE2-CE1 3.83Å; F128-Y147 HydrophobicContact CE2-CE1 3.83Å; F128-Y147 HydrophobicContact CZ-CD1 4.46Å; F128-Y147 HydrophobicContact CZ-CE1 4.44Å; F128-I148 HydrophobicContact CE1-CG1 4Å; F128-I148 HydrophobicContact CE1-CG2 4.34Å; F128-I148 HydrophobicContact CZ-CG1 3.68Å
129E93.3Very high93.5Very high164 Ų16464.1 Ų64.177%0.76635%0.349SS*.  trans-104.3134.2-179-170.5176.7-178.300110.3
130I94.4Very high93.5Very high5 Ų564.7 Ų64.73%0.02635%0.353CS..  trans-102.9123.4176.1-61170.6000107.6I119 E123 F128 D134 A135 L138 Y147I119-I130 HydrophobicContact CG2-CB 4.19Å; I119-I130 HydrophobicContact CG2-CD1 3.95Å; E123-I130 HydrophobicContact CG-CB 4.29Å; E123-I130 HydrophobicContact CG-CD1 4.06Å; E123-I130 HydrophobicContact CG-CG1 3.96Å; E123-I130 WeakPolarHBondContact OE1-CA 3.47Å; E123-I130 VanDerWaalsContact OE1-CB 3.26Å; E123-I130 WeakPolarHBondContact OE1-CB 3.35Å; E123-I130 PolarHBondContact OE1-N 3.22Å; F128-I130 HydrophobicContact CD2-CG1 3.98Å; F128-I130 HydrophobicContact CE2-CD1 3.73Å; F128-I130 HydrophobicContact CE2-CG1 3.37Å; F128-I130 HydrophobicContact CZ-CD1 4.24Å; F128-I130 HydrophobicContact CZ-CG1 4.34Å; I130-D134 HydrophobicContact CG2-CB 4.29Å; I130-A135 HydrophobicContact CG2-CB 3.95Å; I130-L138 HydrophobicContact CD1-CD1 4.3Å; I130-L138 HydrophobicContact CG2-CD1 4.36Å; I130-Y147 HydrophobicContact CD1-CD1 4.39Å; I130-Y147 HydrophobicContact CD1-CE1 4.21Å; I130-Y147 HydrophobicContact CG1-CD1 4.45Å; I130-Y147 HydrophobicContact CG1-CE1 3.79Å; I130-Y147 HydrophobicContact CG2-CE1 4.31Å
131P94.9Very high93.6Very high63 Ų6360.1 Ų60.141%0.40933%0.33SS..  trans-67143.9174.929.4-33.5000110.6T133 D134 A135P131-T133 PolarHBondContact O-N 3.03Å; P131-D134 HydrophobicContact CG-CB 4.1Å; P131-D134 WeakPolarHBondContact CG-OD2 3.42Å; P131-D134 PolarHBondContact O-N 3.02Å; P131-A135 PolarHBondContact O-N 2.83Å
132D92.2Very high93.6Very high129 Ų12960.8 Ų60.869%0.6933%0.326SS*.Hα-helixtrans-49.1-39.1-179.6-61.5-15.7000113.2D134 A135 E136D132-D134 PolarHBondContact O-N 3.28Å; D132-A135 PolarHBondContact O-N 3.33Å; D132-E136 WeakPolarHBondContact O-CG 3.38Å; D132-E136 PolarHBondContact O-N 3.24Å
133T93.2Very high93.6Very high96 Ų9664.3 Ų64.359%0.58934%0.343SS*.Hα-helixtrans-61.3-28.8-179.7-49.60000113.4P131 K137P131-T133 PolarHBondContact O-N 3.03Å; T133-K137 WeakPolarHBondContact O-CE 3.23Å; T133-K137 PolarHBondContact O-NZ 3.24Å
134D93.5Very high93.6Very high50 Ų5062.6 Ų62.627%0.26734%0.335SS..Hα-helixtrans-94-37.5176.7-65.9-27.1000110.8I130 P131 D132 E136 K137 L138 Y147I130-D134 HydrophobicContact CG2-CB 4.29Å; P131-D134 HydrophobicContact CG-CB 4.1Å; P131-D134 WeakPolarHBondContact CG-OD2 3.42Å; P131-D134 PolarHBondContact O-N 3.02Å; D132-D134 PolarHBondContact O-N 3.28Å; D134-E136 VanDerWaalsContact C-N 3.26Å; D134-E136 PolarHBondContact O-N 3.27Å; D134-K137 WeakPolarHBondContact O-CB 3.34Å; D134-K137 PolarHBondContact O-N 2.96Å; D134-K137 IonicContact OD1-NZ 2.88Å; D134-K137 PolarHBondContact OD1-NZ 2.99Å; D134-L138 WeakPolarHBondContact O-CG 3.4Å; D134-L138 PolarHBondContact O-N 3.22Å; D134-Y147 HydrophobicContact CB-CE2 4.03Å
135A92.8Very high93.6Very high14 Ų1456.3 Ų56.312%0.11630%0.301CS..Hα-helixtrans-53.9-41.317400000112.8Q115 I119 I130 P131 D132 K137 L138Q115-A135 PolarHBondContact NE2-O 2.99Å; Q115-A135 VanDerWaalsContact NE2-O 3.08Å; I119-A135 HydrophobicContact CG1-CB 4.27Å; I119-A135 HydrophobicContact CG2-CB 3.95Å; I130-A135 HydrophobicContact CG2-CB 3.95Å; P131-A135 PolarHBondContact O-N 2.83Å; D132-A135 PolarHBondContact O-N 3.33Å; A135-K137 PolarHBondContact O-N 3.22Å; A135-L138 PolarHBondContact O-N 2.81Å
136E92.3Very high93.7Very high138 Ų13856.3 Ų56.365%0.64530%0.304SS*.THydrogen-bonded Turntrans-60.9-26177-76.1178.6-175.900113.5D132 D134 M139D132-E136 WeakPolarHBondContact O-CG 3.38Å; D132-E136 PolarHBondContact O-N 3.24Å; D134-E136 VanDerWaalsContact C-N 3.26Å; D134-E136 PolarHBondContact O-N 3.27Å; E136-M139 WeakPolarHBondContact O-CE 3.43Å
137K92.8Very high93.8Very high124 Ų12457.8 Ų57.854%0.53931%0.309SS..THydrogen-bonded Turntrans-86.1-20.8-179.1-58.4171.7-165.8145.60112.6T133 D134 A135 M139T133-K137 WeakPolarHBondContact O-CE 3.23Å; T133-K137 PolarHBondContact O-NZ 3.24Å; D134-K137 WeakPolarHBondContact O-CB 3.34Å; D134-K137 PolarHBondContact O-N 2.96Å; D134-K137 IonicContact OD1-NZ 2.88Å; D134-K137 PolarHBondContact OD1-NZ 2.99Å; A135-K137 PolarHBondContact O-N 3.22Å; K137-M139 PolarHBondContact O-N 3.08Å
138L94.3Very high93.8Very high11 Ų1154.8 Ų54.86%0.05828%0.278CS..  trans-78.687.2-177.6-61.1176000109.9Q115 I119 I130 D134 A135 E143 I144 Y147Q115-L138 PolarHBondContact NE2-O 3.47Å; Q115-L138 VanDerWaalsContact NE2-O 3.1Å; I119-L138 HydrophobicContact CD1-CB 4.07Å; I119-L138 HydrophobicContact CD1-CD1 3.86Å; I130-L138 HydrophobicContact CD1-CD1 4.3Å; I130-L138 HydrophobicContact CG2-CD1 4.36Å; D134-L138 WeakPolarHBondContact O-CG 3.4Å; D134-L138 PolarHBondContact O-N 3.22Å; A135-L138 PolarHBondContact O-N 2.81Å; L138-E143 HydrophobicContact CD2-CB 3.96Å; L138-I144 HydrophobicContact CB-CG1 4.03Å; L138-I144 HydrophobicContact CD1-CG1 4.31Å; L138-Y147 HydrophobicContact CD1-CG 4.44Å; L138-Y147 HydrophobicContact CD2-CG 4.44Å
139M94.1Very high93.9Very high50 Ų5053.7 Ų53.725%0.24627%0.274CS..  trans-102.2-15.1-174.6-69.5-61.2-165.600113.6F104 M105 E136 K137 E143F104-M139 WeakPolarHBondContact CD2-O 3.37Å; F104-M139 WeakPolarHBondContact CG-O 3.46Å; F104-M139 PolarHBondContact N-O 3.21Å; M105-M139 HydrophobicContact CE-CE 4.15Å; M105-M139 HydrophobicContact CE-SD 4.25Å; M105-M139 HydrophobicContact SD-CE 4.47Å; E136-M139 WeakPolarHBondContact O-CE 3.43Å; K137-M139 PolarHBondContact O-N 3.08Å; M139-E143 WeakPolarHBondContact CA-OE2 3.34Å; M139-E143 PolarHBondContact N-OE2 2.94Å
140C95.2Very high93.9Very high18 Ų1850.3 Ų50.312%0.12226%0.262CS..SBendtrans-129.4150.8179.8-51.10000111.5Q142 E143 I144C140-Q142 VanDerWaalsContact C-N 3.28Å; C140-Q142 PolarHBondContact O-N 2.89Å; C140-E143 HydrophobicContact CB-CG 4.13Å; C140-E143 PolarHBondContact N-OE2 3.32Å; C140-E143 WeakPolarHBondContact O-CB 3.44Å; C140-E143 PolarHBondContact O-N 2.81Å; C140-E143 VanDerWaalsContact O-N 3.16Å; C140-I144 PolarHBondContact O-N 2.75Å
141P95.1Very high93.7Very high0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-57.7-37.9174.6-25.133.4000113.5V83 L87 V100 S102 F104 E143 I144 V145V83-P141 HydrophobicContact CG1-CB 4.46Å; L87-P141 HydrophobicContact CD1-CB 3.69Å; L87-P141 HydrophobicContact CD1-CG 3.62Å; V100-P141 WeakPolarHBondContact O-CB 3.48Å; V100-P141 WeakPolarHBondContact O-CD 3.38Å; S102-P141 WeakPolarHBondContact O-CD 3.2Å; F104-P141 HydrophobicContact CE1-CG 3.81Å; F104-P141 HydrophobicContact CZ-CB 4.5Å; F104-P141 HydrophobicContact CZ-CG 3.81Å; P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.04Å; P141-I144 WeakPolarHBondContact O-CB 3.12Å; P141-I144 PolarHBondContact O-N 3.04Å; P141-V145 WeakPolarHBondContact O-CG2 3.21Å; P141-V145 PolarHBondContact O-N 2.76Å
142Q95.5Very high93.3Very high55 Ų5556.6 Ų56.626%0.25728%0.282SS..Hα-helixtrans-58.1-43.5176.3-174.961.427.800111.9V100 C140 I144 V145 D146V100-Q142 HydrophobicContact CG1-CB 4.1Å; V100-Q142 WeakPolarHBondContact O-CB 3.43Å; V100-Q142 PolarHBondContact O-N 3.1Å; C140-Q142 VanDerWaalsContact C-N 3.28Å; C140-Q142 PolarHBondContact O-N 2.89Å; Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 2.94Å; Q142-V145 WeakPolarHBondContact O-CB 3.31Å; Q142-V145 PolarHBondContact O-N 2.75Å; Q142-V145 VanDerWaalsContact O-N 3.13Å; Q142-D146 PolarHBondContact NE2-OD1 2.78Å; Q142-D146 VanDerWaalsContact NE2-OD1 3.07Å; Q142-D146 VanDerWaalsContact O-CG 3.25Å; Q142-D146 PolarHBondContact O-N 3.43Å
143E95.1Very high93Very high74 Ų7456.4 Ų56.435%0.34628%0.281SS..Hα-helixtrans-64.5-35.1179.6-62.8167173.500111.4L138 M139 C140 P141 Y147L138-E143 HydrophobicContact CD2-CB 3.96Å; M139-E143 WeakPolarHBondContact CA-OE2 3.34Å; M139-E143 PolarHBondContact N-OE2 2.94Å; C140-E143 HydrophobicContact CB-CG 4.13Å; C140-E143 PolarHBondContact N-OE2 3.32Å; C140-E143 WeakPolarHBondContact O-CB 3.44Å; C140-E143 PolarHBondContact O-N 2.81Å; C140-E143 VanDerWaalsContact O-N 3.16Å; P141-E143 VanDerWaalsContact C-N 3.32Å; P141-E143 PolarHBondContact O-N 3.04Å; E143-Y147 VanDerWaalsContact O-CB 3.31Å; E143-Y147 WeakPolarHBondContact O-CB 3.38Å; E143-Y147 PolarHBondContact O-N 3.2Å
144I94.4Very high92.4Very high1 Ų153 Ų531%0.00526%0.26CS..Hα-helixtrans-65.3-44.7173.8-63.1174.6000110.4V83 F104 I118 I119 M122 L138 C140 P141 Q142 D146 Y147 I148V83-I144 HydrophobicContact CG1-CB 4.47Å; V83-I144 HydrophobicContact CG1-CG2 4.21Å; V83-I144 HydrophobicContact CG2-CG2 4.14Å; F104-I144 HydrophobicContact CE2-CD1 3.8Å; F104-I144 HydrophobicContact CZ-CD1 3.76Å; I118-I144 HydrophobicContact CG2-CD1 4.47Å; I119-I144 HydrophobicContact CD1-CD1 4.15Å; I119-I144 HydrophobicContact CD1-CG1 4.43Å; M122-I144 HydrophobicContact CG-CG2 4.14Å; M122-I144 HydrophobicContact SD-CG2 4.35Å; L138-I144 HydrophobicContact CB-CG1 4.03Å; L138-I144 HydrophobicContact CD1-CG1 4.31Å; C140-I144 PolarHBondContact O-N 2.75Å; P141-I144 WeakPolarHBondContact O-CB 3.12Å; P141-I144 PolarHBondContact O-N 3.04Å; Q142-I144 VanDerWaalsContact C-N 3.28Å; Q142-I144 PolarHBondContact O-N 2.94Å; I144-D146 VanDerWaalsContact C-N 3.35Å; I144-Y147 PolarHBondContact O-N 3.47Å; I144-I148 HydrophobicContact CG2-CD1 3.65Å; I144-I148 HydrophobicContact CG2-CG1 4.4Å; I144-I148 WeakPolarHBondContact O-CD1 3.26Å; I144-I148 VanDerWaalsContact O-CG1 3.23Å; I144-I148 WeakPolarHBondContact O-CG1 3.11Å; I144-I148 PolarHBondContact O-N 2.9Å
145V94.9Very high91.4Very high9 Ų957.3 Ų57.36%0.05527%0.274CS..Hα-helixtrans-59.4-48177.4172.70000110.5I79 R80 V83 P141 Q142 Y147 I148 A149I79-V145 HydrophobicContact CG2-CG1 4.08Å; R80-V145 HydrophobicContact CB-CG1 4.32Å; R80-V145 HydrophobicContact CB-CG2 4.29Å; R80-V145 HydrophobicContact CG-CG2 4.49Å; V83-V145 HydrophobicContact CB-CG2 3.94Å; V83-V145 HydrophobicContact CG1-CG2 4.07Å; V83-V145 HydrophobicContact CG2-CG2 3.9Å; P141-V145 WeakPolarHBondContact O-CG2 3.21Å; P141-V145 PolarHBondContact O-N 2.76Å; Q142-V145 WeakPolarHBondContact O-CB 3.31Å; Q142-V145 PolarHBondContact O-N 2.75Å; Q142-V145 VanDerWaalsContact O-N 3.13Å; V145-Y147 VanDerWaalsContact C-N 3.35Å; V145-Y147 PolarHBondContact O-N 2.79Å; V145-I148 PolarHBondContact O-N 2.83Å; V145-A149 VanDerWaalsContact O-CB 3.32Å; V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 2.78Å
146D94.3Very high90.1Very high75 Ų7567.3 Ų67.340%0.40132%0.318SS..Hα-helixtrans-63.1-42.4179.9-63.4-18.1000110.8Q142 I144 I148 A149 D150Q142-D146 PolarHBondContact NE2-OD1 2.78Å; Q142-D146 VanDerWaalsContact NE2-OD1 3.07Å; Q142-D146 VanDerWaalsContact O-CG 3.25Å; Q142-D146 PolarHBondContact O-N 3.43Å; I144-D146 VanDerWaalsContact C-N 3.35Å; D146-I148 PolarHBondContact O-N 2.87Å; D146-A149 WeakPolarHBondContact O-CB 3.5Å; D146-A149 PolarHBondContact O-N 3.02Å; D146-D150 PolarHBondContact O-N 3.19Å
147Y94.7Very high90Very high45 Ų4563.8 Ų63.818%0.17630%0.302CS..Hα-helixtrans-62.4-42.1176.1-175.3-87.1000112.6F128 I130 D134 L138 E143 I144 V145 K151F128-Y147 HydrophobicContact CE2-CD1 4.27Å; F128-Y147 AromaticContact CE2-CE1 3.83Å; F128-Y147 HydrophobicContact CE2-CE1 3.83Å; F128-Y147 HydrophobicContact CZ-CD1 4.46Å; F128-Y147 HydrophobicContact CZ-CE1 4.44Å; I130-Y147 HydrophobicContact CD1-CD1 4.39Å; I130-Y147 HydrophobicContact CD1-CE1 4.21Å; I130-Y147 HydrophobicContact CG1-CD1 4.45Å; I130-Y147 HydrophobicContact CG1-CE1 3.79Å; I130-Y147 HydrophobicContact CG2-CE1 4.31Å; D134-Y147 HydrophobicContact CB-CE2 4.03Å; L138-Y147 HydrophobicContact CD1-CG 4.44Å; L138-Y147 HydrophobicContact CD2-CG 4.44Å; E143-Y147 VanDerWaalsContact O-CB 3.31Å; E143-Y147 WeakPolarHBondContact O-CB 3.38Å; E143-Y147 PolarHBondContact O-N 3.2Å; I144-Y147 PolarHBondContact O-N 3.47Å; V145-Y147 VanDerWaalsContact C-N 3.35Å; V145-Y147 PolarHBondContact O-N 2.79Å; Y147-K151 WeakPolarHBondContact O-CB 3.37Å; Y147-K151 PolarHBondContact O-N 3.35Å
148I92.6Very high89.8Confident0 Ų060.6 Ų60.60%029%0.29CS..Hα-helixtrans-66.4-41.8176.8-66.7159000110.7I79 V83 F126 F128 I144 V145 D146 K151 K152I79-I148 HydrophobicContact CD1-CG2 4.09Å; I79-I148 HydrophobicContact CG1-CG2 4.21Å; I79-I148 HydrophobicContact CG2-CB 3.88Å; I79-I148 HydrophobicContact CG2-CD1 4.11Å; I79-I148 HydrophobicContact CG2-CG2 3.67Å; V83-I148 HydrophobicContact CG2-CD1 3.59Å; F126-I148 HydrophobicContact CD1-CG2 3.86Å; F126-I148 HydrophobicContact CD2-CD1 3.81Å; F126-I148 HydrophobicContact CD2-CG1 4.46Å; F126-I148 HydrophobicContact CE1-CG2 3.94Å; F126-I148 HydrophobicContact CE2-CD1 3.56Å; F126-I148 HydrophobicContact CG-CD1 4.42Å; F126-I148 HydrophobicContact CG-CG2 4.24Å; F126-I148 HydrophobicContact CZ-CD1 3.95Å; F126-I148 HydrophobicContact CZ-CG2 4.39Å; F128-I148 HydrophobicContact CE1-CG1 4Å; F128-I148 HydrophobicContact CE1-CG2 4.34Å; F128-I148 HydrophobicContact CZ-CG1 3.68Å; I144-I148 HydrophobicContact CG2-CD1 3.65Å; I144-I148 HydrophobicContact CG2-CG1 4.4Å; I144-I148 WeakPolarHBondContact O-CD1 3.26Å; I144-I148 VanDerWaalsContact O-CG1 3.23Å; I144-I148 WeakPolarHBondContact O-CG1 3.11Å; I144-I148 PolarHBondContact O-N 2.9Å; V145-I148 PolarHBondContact O-N 2.83Å; D146-I148 PolarHBondContact O-N 2.87Å; I148-K151 PolarHBondContact O-N 3.03Å; I148-K152 HydrophobicContact CG2-CG 4.29Å; I148-K152 WeakPolarHBondContact O-CB 3.3Å; I148-K152 WeakPolarHBondContact O-CG 3.32Å; I148-K152 PolarHBondContact O-N 3.41Å
149A92.6Very high89.6Confident6 Ų663.4 Ų63.45%0.0530%0.303CS..Hα-helixtrans-58.6-5117800000111.1L76 V145 D146 K151 K152 D153 V154L76-A149 HydrophobicContact CD2-CB 3.44Å; L76-A149 VanDerWaalsContact CD2-CB 3.44Å; V145-A149 VanDerWaalsContact O-CB 3.32Å; V145-A149 WeakPolarHBondContact O-CB 3.37Å; V145-A149 PolarHBondContact O-N 2.78Å; D146-A149 WeakPolarHBondContact O-CB 3.5Å; D146-A149 PolarHBondContact O-N 3.02Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 3.25Å; A149-K152 PolarHBondContact O-N 3.23Å; A149-D153 PolarHBondContact O-N 3.37Å; A149-V154 WeakPolarHBondContact CB-O 3.34Å; A149-V154 PolarHBondContact O-N 3.45Å
150D92.6Very high89.3Confident94 Ų9464.2 Ų64.250%0.50331%0.306SS..Hα-helixtrans-58.9-42.4175.9-76-5.4000111.4D146 K152 D153 Y155D146-D150 PolarHBondContact O-N 3.19Å; D150-K152 VanDerWaalsContact C-N 3.34Å; D150-K152 PolarHBondContact O-N 3.19Å; D150-D153 PolarHBondContact O-N 3.2Å; D150-Y155 WeakPolarHBondContact OD1-CE1 3.45Å
151K90.2Very high88.9Confident119 Ų11967.1 Ų67.152%0.51732%0.317SS..Hα-helixtrans-69.9-29.7-177.9-167.363172.9-163.60113.7Y147 I148 A149Y147-K151 WeakPolarHBondContact O-CB 3.37Å; Y147-K151 PolarHBondContact O-N 3.35Å; I148-K151 PolarHBondContact O-N 3.03Å; A149-K151 VanDerWaalsContact C-N 3.31Å; A149-K151 PolarHBondContact O-N 3.25Å
152K87.2Confident88.5Confident80 Ų8071.5 Ų71.535%0.34834%0.339SS..THydrogen-bonded Turntrans-98.15.6-180-63.3-69.6-173.9178.70112.5L74 F126 I148 A149 D150 V154L74-K152 HydrophobicContact CD1-CD 4.39Å; L74-K152 HydrophobicContact CD1-CG 4.39Å; F126-K152 PolarHBondContact O-NZ 3.39Å; I148-K152 HydrophobicContact CG2-CG 4.29Å; I148-K152 WeakPolarHBondContact O-CB 3.3Å; I148-K152 WeakPolarHBondContact O-CG 3.32Å; I148-K152 PolarHBondContact O-N 3.41Å; A149-K152 PolarHBondContact O-N 3.23Å; D150-K152 VanDerWaalsContact C-N 3.34Å; D150-K152 PolarHBondContact O-N 3.19Å; K152-V154 HydrophobicContact CB-CG2 3.86Å; K152-V154 PolarHBondContact O-N 3.42Å
153D85.3Confident88Confident125 Ų12572.7 Ų72.767%0.66834%0.344SS*.THydrogen-bonded Turntrans52.537.5-175-62.7-53.3000112.9A149 D150 Y155A149-D153 PolarHBondContact O-N 3.37Å; D150-D153 PolarHBondContact O-N 3.2Å; D153-Y155 HydrophobicContact CB-CE2 4.22Å
154V81.8Confident87.5Confident25 Ų2572.6 Ų72.615%0.15234%0.344CS..  trans-99.3115.1177.4-174.70000107.9L74 L76 I79 A149 K152L74-V154 HydrophobicContact CB-CG2 4.33Å; L74-V154 WeakPolarHBondContact O-CG1 3.38Å; L74-V154 WeakPolarHBondContact O-CG2 3.5Å; L76-V154 HydrophobicContact CD2-CB 4.07Å; L76-V154 HydrophobicContact CD2-CG1 3.63Å; L76-V154 WeakPolarHBondContact CD2-O 3.42Å; L76-V154 HydrophobicContact CG-CG1 4.03Å; I79-V154 HydrophobicContact CD1-CB 4.23Å; I79-V154 HydrophobicContact CD1-CG1 4.37Å; I79-V154 HydrophobicContact CD1-CG2 4.31Å; A149-V154 WeakPolarHBondContact CB-O 3.34Å; A149-V154 PolarHBondContact O-N 3.45Å; K152-V154 HydrophobicContact CB-CG2 3.86Å; K152-V154 PolarHBondContact O-N 3.42Å
155Y72.9Confident86.9Confident140 Ų14078.6 Ų78.655%0.54937%0.372SS..  trans-131.9155.6177.3-54.2-84.7000108.7D150 D153D150-Y155 WeakPolarHBondContact OD1-CE1 3.45Å; D153-Y155 HydrophobicContact CB-CE2 4.22Å
156E63.9Low86.2Confident225 Ų22584.9 Ų84.9100%1.05140%0.401SS*.  trans-73.90172.7-56.2-149.3160.900113.1L76L76-E156 HydrophobicContact CD1-CB 4.45Å; L76-E156 HydrophobicContact CD1-CG 3.25Å; L76-E156 HydrophobicContact CG-CG 4.17Å

Retrieved 156 of 156 residues in 36.5 ms (Link to these results)