A0A096MQE4_PAPAN Loading...

Protein phosphatase 1 regulatory subunit 14

Inhibitor of PPP1CA.

AlphaFold DB (A0A2J8TYJ1), UniProt , Accession A0A096MQE4, Species PAPAN (Papio anubis, Olive baboon), Gene PPP1R14B, Length 147 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
1M40.1Very low43.8Very low242 Ų242114.1 Ų114.1100%1.19283%0.833SS**  0133.40-82.7172.3134.600107.9
2A47.1Very low43.7Very low99 Ų99118.5 Ų118.582%0.81884%0.836SS**  trans58.2110165.500000117
3D42.8Very low43.9Very low148 Ų148117.1 Ų117.179%0.79184%0.836SS**  79.2141.955.5-169.7-107.3000114.9
4S49.7Very low44.5Very low107 Ų107115.4 Ų115.475%0.74883%0.831SS**  trans80.7127.4167.7-71.40000116.2
5G41.7Very low44.8Very low66 Ų66115.9 Ų115.968%0.6883%0.829SS**  cis135.6152.312.100000109.5
6T44Very low45.7Very low147 Ų147114.6 Ų114.690%0.90283%0.826SS**  trans80149.5164.5-130.20000117.1
7A43Very low45.8Very low86 Ų86115.3 Ų115.371%0.71183%0.826SS**  cis179.5155.3-29.700000105.5
8G40.5Very low46.1Very low80 Ų80112.3 Ų112.383%0.82582%0.816SS**  trans85.783.3150.200000117.5A10G8-A10 PolarHBondContact O-N 2.7Å
9G37Very low46.2Very low88 Ų88113.9 Ų113.991%0.90782%0.821SS**  trans-80.9109.2158.100000110.1
10A45.6Very low46Very low87 Ų87111.9 Ų111.972%0.71982%0.818SS**  trans-62.4139.4-17800000113.3G8 L12G8-A10 PolarHBondContact O-N 2.7Å; A10-L12 PolarHBondContact O-N 3.22Å
11A49.8Very low46.5Very low105 Ų105112.8 Ų112.887%0.86882%0.823SS**  trans-63.8122.3164.700000109.9
12L43.3Very low46.8Very low167 Ų167104.7 Ų104.787%0.87480%0.802SS**  trans-106.8117.3167.2-69176.7000108.8A10A10-L12 PolarHBondContact O-N 3.22Å
13A46Very low47.2Very low100 Ų100103 Ų10383%0.82679%0.793SS**PPolyproline II helixtrans-59.1134.7176.900000111.5
14A53.1Low47.7Very low94 Ų94102.2 Ų102.278%0.77780%0.796SS**PPolyproline II helixtrans-77.5138.4167.900000110.3
15P48.8Very low48.2Very low122 Ų12299.6 Ų99.679%0.79279%0.786SS**PPolyproline II helixtrans-76.3132.7167.630.4-31.1000110.3
16A58.1Low48.9Very low95 Ų95103 Ų10379%0.78580%0.796SS**PPolyproline II helixtrans-66.1133.4170.300000110.8
17P48.6Very low50.1Low127 Ų127106.4 Ų106.483%0.82579%0.793SS**PPolyproline II helixtrans-82.8124.6162.630.2-27.1000109.4
18G51Low51.3Low62 Ų62108.7 Ų108.764%0.63980%0.797SS**  trans-65174.8173.700000113.4G20G18-G20 PolarHBondContact O-N 3.25Å
19P48.3Very low52.3Low142 Ų142113 Ų11392%0.92279%0.79SS**  trans-72.497.6-174.429.9-32000110S21P19-S21 PolarHBondContact O-N 3.24Å
20G41.6Very low53.2Low74 Ų74118.6 Ų118.676%0.76379%0.79SS**  trans-68.7110.4167.100000109.5G18 G22G18-G20 PolarHBondContact O-N 3.25Å; G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 2.9Å
21S56Low53.9Low130 Ų130121.6 Ų121.691%0.90979%0.789SS**  trans-62.289.4169.8-160.40000109.3P19P19-S21 PolarHBondContact O-N 3.24Å
22G45.9Very low54Low73 Ų73121.6 Ų121.675%0.75378%0.783SS**  trans-89.895.8173.500000109.4G20G20-G22 VanDerWaalsContact C-N 3.3Å; G20-G22 PolarHBondContact O-N 2.9Å
23G56.2Low54.5Low62 Ų62119.3 Ų119.364%0.63978%0.778SS**  trans-55.8148172.500000111.4G25G23-G25 PolarHBondContact O-N 3.14Å
24P54.5Low54.5Low132 Ų132121.1 Ų121.186%0.85778%0.781SS**  trans-71.2109.5-178.329-30.8000108.8
25G58.7Low54.5Low52 Ų52120.3 Ų120.354%0.53678%0.782SS.*  trans-56.9160161.400000110.4G23 R27G23-G25 PolarHBondContact O-N 3.14Å; G25-R27 PolarHBondContact O-N 2.85Å
26P57.7Low54.4Low137 Ų137119.5 Ų119.589%0.8979%0.785SS**  trans-63.895.5-170.925.7-32.6000110.4
27R68.6Low54Low219 Ų219120.3 Ų120.383%0.82679%0.792SS**  trans-78.6120.6168.8-171.4166.8-167.1-131.8-0.2106.6G25 Y29G25-R27 PolarHBondContact O-N 2.85Å; R27-Y29 WeakPolarHBondContact O-CD1 3.01Å; R27-Y29 PolarHBondContact O-N 3.37Å
28V68.6Low53.5Low134 Ų134117.8 Ų117.881%0.81279%0.79SS**  trans-67.499.7172.2-69.70000108.8
29Y60Low53.3Low170 Ų170124.8 Ų124.867%0.66781%0.806SS**  trans-84.8117.616846.1-80.3000107.2R27 Q31R27-Y29 WeakPolarHBondContact O-CD1 3.01Å; R27-Y29 PolarHBondContact O-N 3.37Å; Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 HydrophobicContact CD2-CG 3.4Å; Y29-Q31 HydrophobicContact CE2-CG 3.54Å; Y29-Q31 PolarHBondContact O-N 3.37Å
30F57.7Low52.6Low206 Ų206121.2 Ų121.290%0.90480%0.795SS**  trans-64.7100.1164.9-100.1-96000107.4S32F30-S32 PolarHBondContact O-N 3.28Å; F30-S32 VanDerWaalsContact O-N 3.13Å
31Q59.5Low53.3Low150 Ų150124.4 Ų124.470%0.70180%0.802SS**  trans-67.4108.2172-72.6175.556.200107.9Y29Y29-Q31 VanDerWaalsContact C-N 3.34Å; Y29-Q31 HydrophobicContact CD2-CG 3.4Å; Y29-Q31 HydrophobicContact CE2-CG 3.54Å; Y29-Q31 PolarHBondContact O-N 3.37Å
32S52.8Low52.3Low106 Ų106121.9 Ų121.974%0.74180%0.796SS**  trans-68.6139.9159.7-65.90000108.2F30F30-S32 PolarHBondContact O-N 3.28Å; F30-S32 VanDerWaalsContact O-N 3.13Å
33P53.7Low51.9Low118 Ų118122.1 Ų122.177%0.76680%0.799SS**  trans-59.2140.6-17722.8-32000110.9G35P33-G35 PolarHBondContact O-N 3.06Å; P33-G35 VanDerWaalsContact O-N 3.17Å
34P45.3Very low51.6Low138 Ų138123.8 Ų123.890%0.89681%0.806SS**SBendtrans-76.2108.7-179.431.1-30.1000108.2
35G52.5Low51.1Low77 Ų77125.1 Ų125.179%0.79481%0.806SS**  trans-168.647.6-177.600000112.6P33P33-G35 PolarHBondContact O-N 3.06Å; P33-G35 VanDerWaalsContact O-N 3.17Å
36A46.8Very low50.8Low105 Ų105130.8 Ų130.887%0.86882%0.824SS**  trans-15656167.300000110.6
37A49.4Very low50.5Low112 Ų112132.8 Ų132.893%0.92682%0.822SS**  trans-113.599.6157.100000106.3
38G39.1Very low49.5Very low75 Ų75124.6 Ų124.677%0.77381%0.805SS**  trans-164.579.3-179.300000108.7G40G38-G40 PolarHBondContact O-N 2.99Å
39E46.3Very low48.8Very low209 Ų209124 Ų12498%0.97781%0.805SS**  trans-71.5119.7165.5-80170.792.800109.1
40G34.8Very low48.7Very low67 Ų67121.4 Ų121.469%0.69181%0.806SS**  trans-163.7127.9167.600000109.1G38G38-G40 PolarHBondContact O-N 2.99Å
41P54.8Low49Very low141 Ų141121.2 Ų121.292%0.91680%0.799SS**  trans-87.3122.7-176.833.2-28.5000109.5
42G35.7Very low49Very low76 Ų76124.7 Ų124.778%0.78481%0.806SS**  trans-178.7112175.900000114.2
43G37.1Very low49.4Very low79 Ų79126.8 Ų126.881%0.81480%0.804SS**  trans66108.5135.800000118.4D45G43-D45 PolarHBondContact O-N 3Å
44A50.1Low49.9Very low96 Ų96123.8 Ų123.879%0.79379%0.794SS**  trans-8.7114.2149.400000116.5
45D44.2Very low50.7Low161 Ų161126.5 Ų126.586%0.86179%0.792SS**  -162.398.3124.1-84.3-45.5000106.1G43 E47G43-D45 PolarHBondContact O-N 3Å; D45-E47 PolarHBondContact O-N 3.49Å
46D52Low50.9Low170 Ų170129.3 Ų129.391%0.90979%0.794SS**  trans-7279.1171.4-179.4-119.2000108.6
47E51.1Low52.1Low179 Ų179129.7 Ų129.784%0.83679%0.786SS**  trans-135.763.2159.2-162.2162.390.600108.9D45D45-E47 PolarHBondContact O-N 3.49Å
48G47.4Very low53.4Low47 Ų47126.8 Ų126.849%0.48576%0.756SS.*  trans-57.6141.4162.600000109.1V50G48-V50 PolarHBondContact O-N 3.34Å
49P54.8Low55.2Low123 Ų123132.7 Ų132.780%0.79976%0.76SS**  trans-56.8108.6179.8-20.130000108.5R51P49-R51 PolarHBondContact O-N 3.12Å
50V58.5Low57Low114 Ų114128 Ų12869%0.69173%0.734SS**  trans-65.787.8172.5-173.40000105.4G48 R52G48-V50 PolarHBondContact O-N 3.34Å; V50-R52 HydrophobicContact CG1-CG 3.72Å; V50-R52 PolarHBondContact O-N 2.88Å
51R62.2Low59.6Low203 Ų203129 Ų12977%0.76672%0.724SS**  trans-6679.7170.3-59.6-177.489.3-169.17.7105.7P49 Q53P49-R51 PolarHBondContact O-N 3.12Å; R51-Q53 HydrophobicContact CB-CG 4.44Å; R51-Q53 PolarHBondContact O-N 2.75Å
52R59.5Low61.3Low223 Ų223131.2 Ų131.284%0.84271%0.714SS**  trans-66.779.5162.9-64-161.1-176.2-147.82.5105.6V50 G54V50-R52 HydrophobicContact CG1-CG 3.72Å; V50-R52 PolarHBondContact O-N 2.88Å; R52-G54 PolarHBondContact O-N 3.39Å
53Q62.7Low63.9Low149 Ų149134.9 Ų134.970%0.69671%0.709SS**  trans-62.487.3162.8-68.8166.917.800104.6R51 K55R51-Q53 HydrophobicContact CB-CG 4.44Å; R51-Q53 PolarHBondContact O-N 2.75Å; Q53-K55 PolarHBondContact O-N 3.2Å
54G63.1Low66.5Low55 Ų55131.5 Ų131.557%0.56767%0.671SS**  trans-50.8128.4173.800000106.9R52 V56R52-G54 PolarHBondContact O-N 3.39Å; G54-V56 VanDerWaalsContact C-N 3.28Å; G54-V56 WeakPolarHBondContact O-CG2 3.48Å; G54-V56 PolarHBondContact O-N 3.23Å
55K63.4Low68.4Low195 Ų195130.2 Ų130.285%0.84865%0.651SS**  trans-66.193.1178.6-72.9162.9176.3172.80107.8Q53 T57Q53-K55 PolarHBondContact O-N 3.2Å; K55-T57 PolarHBondContact O-N 2.85Å
56V55.5Low70.7Confident137 Ų137128.3 Ų128.383%0.8363%0.632SS**  trans-80.551.3171-168.90000108.5G54G54-V56 VanDerWaalsContact C-N 3.28Å; G54-V56 WeakPolarHBondContact O-CG2 3.48Å; G54-V56 PolarHBondContact O-N 3.23Å
57T72.4Confident72.7Confident113 Ų113124.5 Ų124.569%0.69361%0.607SS**  trans-119.9101.3174.354.30000106.7K55 K59K55-T57 PolarHBondContact O-N 2.85Å; T57-K59 PolarHBondContact O-N 3.03Å
58V76.5Confident74.6Confident51 Ų51117.8 Ų117.831%0.30957%0.574SS.*PPolyproline II helixtrans-59.4129.2166.4163.90000108.3Y60 S142 P144V58-Y60 HydrophobicContact CB-CE2 4.45Å; V58-Y60 HydrophobicContact CG1-CD1 4.25Å; V58-Y60 HydrophobicContact CG1-CD2 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 3.78Å; V58-Y60 HydrophobicContact CG1-CE2 4.03Å; V58-S142 WeakPolarHBondContact CG1-O 3.11Å; V58-P144 HydrophobicContact CB-CG 4.22Å; V58-P144 HydrophobicContact CG2-CB 3.41Å; V58-P144 VanDerWaalsContact CG2-CB 3.41Å; V58-P144 HydrophobicContact CG2-CG 3.36Å
59K77.8Confident76.7Confident198 Ų198120.1 Ų120.186%0.86158%0.575SS**PPolyproline II helixtrans-92.8118.9178.1-174.6-176.1175.1-173.20108.1T57T57-K59 PolarHBondContact O-N 3.03Å
60Y84Confident78.5Confident110 Ų110118.9 Ų118.943%0.43156%0.561SS.*PPolyproline II helixtrans-92.8144.6171.9-58-78.4000110.6V58 L141V58-Y60 HydrophobicContact CB-CE2 4.45Å; V58-Y60 HydrophobicContact CG1-CD1 4.25Å; V58-Y60 HydrophobicContact CG1-CD2 4.46Å; V58-Y60 HydrophobicContact CG1-CE1 3.78Å; V58-Y60 HydrophobicContact CG1-CE2 4.03Å; Y60-L141 HydrophobicContact CD1-CB 4.46Å
61D88.3Confident80.1Confident88 Ų88113.6 Ų113.647%0.47153%0.529SS..PPolyproline II helixtrans-81.6123.9172.5-174.3-75.2000110.4K63 E64 L65D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact OD1-CA 3.31Å; D61-K63 WeakPolarHBondContact OD1-CA 3.32Å; D61-K63 WeakPolarHBondContact OD1-CB 3.03Å; D61-K63 PolarHBondContact OD1-N 3.34Å; D61-E64 HydrophobicContact CB-CB 3.97Å; D61-E64 PolarHBondContact O-N 2.9Å; D61-E64 PolarHBondContact OD1-N 2.99Å; D61-L65 WeakPolarHBondContact O-CG 3.41Å; D61-L65 PolarHBondContact O-N 2.93Å
62R90.7Very high81.5Confident188 Ų188108 Ų10871%0.70951%0.512SS*.Hα-helixtrans-65.8-26.8-176.7-170.9-176.3174.7-151.70.1113.2R66R62-R66 PolarHBondContact O-N 3.32Å; R62-R66 PolarHBondContact O-NE 3.27Å; R62-R66 VanDerWaalsContact O-NE 3.08Å
63K91.4Very high83Confident154 Ų154103 Ų10367%0.6750%0.498SS*.Hα-helixtrans-76.1-42.6175.5-59.8178.9178.11780109.4D61 R66 K67D61-K63 VanDerWaalsContact C-N 3.27Å; D61-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact OD1-CA 3.31Å; D61-K63 WeakPolarHBondContact OD1-CA 3.32Å; D61-K63 WeakPolarHBondContact OD1-CB 3.03Å; D61-K63 PolarHBondContact OD1-N 3.34Å; K63-R66 WeakPolarHBondContact O-CB 3.49Å; K63-R66 PolarHBondContact O-N 3.42Å; K63-K67 PolarHBondContact O-N 2.98Å
64E90.6Very high84.5Confident7 Ų797.9 Ų97.93%0.03347%0.473CS..Hα-helixtrans-66.9-41.2179.8-16256.5-146.600112.3D61 R66 K67 R68 M138 Q139 L141D61-E64 HydrophobicContact CB-CB 3.97Å; D61-E64 PolarHBondContact O-N 2.9Å; D61-E64 PolarHBondContact OD1-N 2.99Å; E64-R66 PolarHBondContact O-N 3.18Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE2-CD 3.49Å; E64-K67 WeakPolarHBondContact OE2-CE 3.38Å; E64-K67 IonicContact OE2-NZ 3.99Å; E64-K67 PolarHBondContact OE2-NZ 3.19Å; E64-R68 PolarHBondContact O-N 3.43Å; E64-M138 WeakPolarHBondContact OE1-CA 3.41Å; E64-M138 WeakPolarHBondContact OE1-CB 3.18Å; E64-Q139 VanDerWaalsContact CD-N 3.35Å; E64-Q139 HydrophobicContact CG-CB 4.19Å; E64-Q139 PolarHBondContact OE1-N 2.75Å; E64-L141 HydrophobicContact CB-CD2 4.05Å; E64-L141 HydrophobicContact CG-CD2 3.79Å
65L91.3Very high85.8Confident69 Ų6996 Ų9636%0.36145%0.449SS..Hα-helixtrans-56-39.1171.4-74.6172.6000112.6D61 R68 L69 L141D61-L65 WeakPolarHBondContact O-CG 3.41Å; D61-L65 PolarHBondContact O-N 2.93Å; L65-R68 PolarHBondContact O-N 3.41Å; L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.38Å; L65-L141 HydrophobicContact CD2-CD1 3.76Å; L65-L141 HydrophobicContact CD2-CD2 4.36Å
66R92.2Very high86.9Confident121 Ų12191.3 Ų91.346%0.45743%0.433SS..Hα-helixtrans-67.2-38.9175.4-86.2-179.8-85.6177-7.7112.3R62 K63 E64 R68 N70R62-R66 PolarHBondContact O-N 3.32Å; R62-R66 PolarHBondContact O-NE 3.27Å; R62-R66 VanDerWaalsContact O-NE 3.08Å; K63-R66 WeakPolarHBondContact O-CB 3.49Å; K63-R66 PolarHBondContact O-N 3.42Å; E64-R66 PolarHBondContact O-N 3.18Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.12Å; R66-N70 PolarHBondContact O-ND2 3.48Å; R66-N70 PolarHBondContact O-OD1 3.01Å
67K92.8Very high88.5Confident90 Ų9089.7 Ų89.739%0.39142%0.416SS..Hα-helixtrans-62.8-40.2173.5-63.9-171.4-161.2153.70111.3K63 E64 N70 L71 G137K63-K67 PolarHBondContact O-N 2.98Å; E64-K67 WeakPolarHBondContact O-CB 3.32Å; E64-K67 PolarHBondContact O-N 2.95Å; E64-K67 WeakPolarHBondContact OE2-CD 3.49Å; E64-K67 WeakPolarHBondContact OE2-CE 3.38Å; E64-K67 IonicContact OE2-NZ 3.99Å; E64-K67 PolarHBondContact OE2-NZ 3.19Å; K67-N70 PolarHBondContact O-N 3.46Å; K67-L71 WeakPolarHBondContact O-CB 3.25Å; K67-L71 PolarHBondContact O-N 2.98Å; K67-G137 PolarHBondContact NZ-O 2.96Å
68R90.8Very high89.3Confident39 Ų3986.5 Ų86.515%0.14739%0.393CS..Hα-helixtrans-61.3-48.4178-174.856.3173.9-121.14111.9E64 L65 R66 N70 L71 E72 V97 D98 M138 L141E64-R68 PolarHBondContact O-N 3.43Å; L65-R68 PolarHBondContact O-N 3.41Å; R66-R68 VanDerWaalsContact C-N 3.3Å; R68-N70 PolarHBondContact O-N 3.24Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 2.9Å; R68-L71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CG-OE1 3.36Å; R68-E72 IonicContact CZ-OE1 3.75Å; R68-E72 IonicContact NE-OE1 2.63Å; R68-E72 PolarHBondContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 2.92Å; R68-V97 VanDerWaalsContact CZ-CB 3.46Å; R68-V97 VanDerWaalsContact NH1-CB 3.25Å; R68-V97 VanDerWaalsContact NH1-CG1 3.33Å; R68-D98 IonicContact NH1-OD1 2.72Å; R68-D98 PolarHBondContact NH1-OD1 2.83Å; R68-M138 HydrophobicContact CB-CE 4.13Å; R68-L141 HydrophobicContact CB-CD1 4.28Å; R68-L141 HydrophobicContact CG-CD1 4.24Å
69L91.9Very high89.7Confident95 Ų9584.3 Ų84.350%0.49738%0.38SS..Hα-helixtrans-59.1-48.9175.1-69.7170.7000112L65 L71 E72 E73L65-L69 WeakPolarHBondContact O-CG 3.45Å; L65-L69 PolarHBondContact O-N 3.38Å; L69-L71 PolarHBondContact O-N 2.84Å; L69-E72 PolarHBondContact O-N 2.87Å; L69-E72 VanDerWaalsContact O-N 3.15Å; L69-E73 WeakPolarHBondContact O-CG 3.3Å; L69-E73 PolarHBondContact O-N 3.32Å
70N92.8Very high90Very high97 Ų9777.9 Ų77.952%0.51936%0.358SS..Hα-helixtrans-61.8-28.9178-68.3-9000112.9R66 K67 R68 W74R66-N70 WeakPolarHBondContact O-CB 3.46Å; R66-N70 PolarHBondContact O-N 3.12Å; R66-N70 PolarHBondContact O-ND2 3.48Å; R66-N70 PolarHBondContact O-OD1 3.01Å; K67-N70 PolarHBondContact O-N 3.46Å; R68-N70 PolarHBondContact O-N 3.24Å; N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 PolarHBondContact O-N 3.35Å
71L92.7Very high90Very high4 Ų479.7 Ų79.72%0.02136%0.364CS..Hα-helixtrans-71.5-49.4174.3175.664.2000110.3K67 R68 L69 E73 W74 I75 V97 L131 K134 I135 M138K67-L71 WeakPolarHBondContact O-CB 3.25Å; K67-L71 PolarHBondContact O-N 2.98Å; R68-L71 WeakPolarHBondContact O-CB 3.41Å; R68-L71 PolarHBondContact O-N 2.9Å; R68-L71 VanDerWaalsContact O-N 3.15Å; L69-L71 PolarHBondContact O-N 2.84Å; L71-E73 PolarHBondContact O-N 2.66Å; L71-W74 HydrophobicContact CD1-CE3 3.93Å; L71-W74 HydrophobicContact CD1-CZ3 4.41Å; L71-W74 PolarHBondContact O-N 3.38Å; L71-W74 VanDerWaalsContact O-N 3.12Å; L71-I75 HydrophobicContact CD1-CD1 4.05Å; L71-I75 HydrophobicContact CD1-CG1 4.05Å; L71-I75 HydrophobicContact CD2-CD1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 HydrophobicContact CG-CG1 4.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.46Å; L71-V97 HydrophobicContact CD2-CB 4.47Å; L71-V97 HydrophobicContact CD2-CG1 3.95Å; L71-V97 HydrophobicContact CD2-CG2 3.66Å; L71-L131 HydrophobicContact CD1-CD1 3.9Å; L71-L131 HydrophobicContact CD2-CD1 4.48Å; L71-K134 HydrophobicContact CD1-CB 3.77Å; L71-K134 HydrophobicContact CD1-CD 3.81Å; L71-K134 HydrophobicContact CD1-CG 4.41Å; L71-I135 HydrophobicContact CD2-CG2 3.79Å; L71-M138 HydrophobicContact CB-CE 4.22Å; L71-M138 HydrophobicContact CB-SD 4.07Å; L71-M138 HydrophobicContact CD2-CE 3.77Å; L71-M138 HydrophobicContact CD2-SD 3.36Å; L71-M138 WeakPolarHBondContact CD2-SD 3.44Å; L71-M138 HydrophobicContact CG-SD 4.22Å
72E90.4Very high89.7Confident84 Ų8476.5 Ų76.539%0.39335%0.346SS..Hα-helixtrans-58.9-46.3-179.6-73.1172.4-165.700111.4R68 L69 W74 I75 L76R68-E72 WeakPolarHBondContact CG-OE1 3.36Å; R68-E72 IonicContact CZ-OE1 3.75Å; R68-E72 IonicContact NE-OE1 2.63Å; R68-E72 PolarHBondContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.4Å; R68-E72 PolarHBondContact O-N 2.92Å; L69-E72 PolarHBondContact O-N 2.87Å; L69-E72 VanDerWaalsContact O-N 3.15Å; E72-W74 VanDerWaalsContact C-N 3.31Å; E72-W74 PolarHBondContact O-N 3.42Å; E72-I75 PolarHBondContact O-N 3.35Å; E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.42Å
73E92.1Very high89.1Confident120 Ų12069.8 Ų69.856%0.56132%0.321SS*.Hα-helixtrans-57.5-44.3173.6-71.6176.8169.600111.8L69 L71 L76 E77L69-E73 WeakPolarHBondContact O-CG 3.3Å; L69-E73 PolarHBondContact O-N 3.32Å; L71-E73 PolarHBondContact O-N 2.66Å; E73-L76 PolarHBondContact O-N 3.47Å; E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å
74W93.6Very high88Confident41 Ų4168.8 Ų68.816%0.15532%0.323CS..Hα-helixtrans-66.7-40.3178.5174.382.5000112.6N70 L71 E72 E77 Q78 F127 G130 L131 K134N70-W74 WeakPolarHBondContact O-CB 3.28Å; N70-W74 PolarHBondContact O-N 3.35Å; L71-W74 HydrophobicContact CD1-CE3 3.93Å; L71-W74 HydrophobicContact CD1-CZ3 4.41Å; L71-W74 PolarHBondContact O-N 3.38Å; L71-W74 VanDerWaalsContact O-N 3.12Å; E72-W74 VanDerWaalsContact C-N 3.31Å; E72-W74 PolarHBondContact O-N 3.42Å; W74-E77 PolarHBondContact O-N 3.36Å; W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.46Å; W74-Q78 HydrophobicContact CG-CG 4.4Å; W74-Q78 HydrophobicContact CH2-CG 4.05Å; W74-Q78 HydrophobicContact CZ2-CG 3.46Å; W74-Q78 VanDerWaalsContact CZ2-CG 3.46Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 2.79Å; W74-F127 HydrophobicContact CH2-CD2 4.07Å; W74-F127 HydrophobicContact CH2-CE2 4.2Å; W74-F127 HydrophobicContact CZ3-CD2 4.41Å; W74-F127 HydrophobicContact CZ3-CE2 4.07Å; W74-G130 VanDerWaalsContact CH2-C 3.44Å; W74-L131 HydrophobicContact CH2-CB 4.01Å; W74-L131 VanDerWaalsContact CH2-N 3.28Å; W74-L131 HydrophobicContact CZ3-CB 3.85Å; W74-L131 HydrophobicContact CZ3-CD1 4.06Å; W74-K134 HydrophobicContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CE2-CE 3.41Å; W74-K134 HydrophobicContact CE3-CD 3.47Å; W74-K134 VanDerWaalsContact CE3-CD 3.47Å; W74-K134 HydrophobicContact CG-CD 3.93Å; W74-K134 HydrophobicContact CH2-CD 4.28Å; W74-K134 HydrophobicContact CZ2-CD 4.22Å; W74-K134 HydrophobicContact CZ3-CD 3.92Å
75I90.1Very high86.6Confident15 Ų1569.2 Ų69.28%0.07733%0.327CS..Hα-helixtrans-59.1-50.5176.8-73172.9000109L71 E72 E77 Q78 L79 I95 V97 F127 L131L71-I75 HydrophobicContact CD1-CD1 4.05Å; L71-I75 HydrophobicContact CD1-CG1 4.05Å; L71-I75 HydrophobicContact CD2-CD1 4.24Å; L71-I75 HydrophobicContact CG-CD1 3.82Å; L71-I75 HydrophobicContact CG-CG1 4.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.47Å; L71-I75 PolarHBondContact O-N 3.46Å; E72-I75 PolarHBondContact O-N 3.35Å; I75-E77 PolarHBondContact O-N 3.1Å; I75-Q78 PolarHBondContact O-N 3.14Å; I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.95Å; I75-I95 HydrophobicContact CG2-CD1 3.95Å; I75-V97 HydrophobicContact CD1-CG2 4.47Å; I75-F127 HydrophobicContact CG2-CZ 4.31Å; I75-L131 HydrophobicContact CD1-CD1 3.82Å; I75-L131 HydrophobicContact CG1-CD1 4.05Å
76L86.4Confident84.8Confident97 Ų9773.3 Ų73.351%0.50834%0.344SS..Hα-helixtrans-57.6-50.4178.2-69.5171.7000111.2E72 E73 Q78 L79 T80E72-L76 WeakPolarHBondContact O-CG 3.33Å; E72-L76 PolarHBondContact O-N 3.42Å; E73-L76 PolarHBondContact O-N 3.47Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.38Å; L76-L79 PolarHBondContact O-N 3.42Å; L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.42Å
77E88.9Confident83Confident103 Ų10375.2 Ų75.248%0.48136%0.358SS..Hα-helixtrans-57.5-42.5177.7-79.6-171-175.900113.1E73 W74 I75 R81E73-E77 WeakPolarHBondContact O-CG 3.49Å; E73-E77 PolarHBondContact O-N 3.09Å; W74-E77 PolarHBondContact O-N 3.36Å; I75-E77 PolarHBondContact O-N 3.1Å; E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 2.7Å; E77-R81 PolarHBondContact OE2-NH2 3.28Å
78Q89.3Confident81Confident45 Ų4579.5 Ų79.521%0.2138%0.38CS..Hα-helixtrans-70.2-39.5178.7-66.7-40-78.300111.7W74 I75 L76 R81 L82 F127W74-Q78 HydrophobicContact CD2-CG 3.9Å; W74-Q78 HydrophobicContact CE3-CG 4.46Å; W74-Q78 HydrophobicContact CG-CG 4.4Å; W74-Q78 HydrophobicContact CH2-CG 4.05Å; W74-Q78 HydrophobicContact CZ2-CG 3.46Å; W74-Q78 VanDerWaalsContact CZ2-CG 3.46Å; W74-Q78 WeakPolarHBondContact O-CG 3.37Å; W74-Q78 PolarHBondContact O-N 2.79Å; I75-Q78 PolarHBondContact O-N 3.14Å; L76-Q78 VanDerWaalsContact C-N 3.32Å; L76-Q78 PolarHBondContact O-N 3.38Å; Q78-R81 VanDerWaalsContact NE2-NH1 3.19Å; Q78-R81 PolarHBondContact O-N 3.35Å; Q78-L82 VanDerWaalsContact O-CB 3.28Å; Q78-L82 WeakPolarHBondContact O-CB 3.33Å; Q78-L82 PolarHBondContact O-N 2.91Å; Q78-F127 HydrophobicContact CB-CD2 3.55Å; Q78-F127 HydrophobicContact CB-CE2 3.84Å; Q78-F127 HydrophobicContact CG-CD2 4.19Å
79L86Confident79.1Confident6 Ų684.8 Ų84.83%0.03141%0.406CS..Hα-helixtrans-63.8-42.3177-71.7176000111.4I75 L76 R81 L82 Y83 L93 L117 F127I75-L79 HydrophobicContact CG2-CD1 3.69Å; I75-L79 HydrophobicContact CG2-CG 4.22Å; I75-L79 WeakPolarHBondContact O-CB 3.3Å; I75-L79 VanDerWaalsContact O-CG 3.3Å; I75-L79 WeakPolarHBondContact O-CG 3.44Å; I75-L79 PolarHBondContact O-N 2.95Å; L76-L79 PolarHBondContact O-N 3.42Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L79-Y83 HydrophobicContact CD2-CD2 4.44Å; L79-Y83 HydrophobicContact CD2-CE2 4.05Å; L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.4Å; L79-L93 HydrophobicContact CD1-CD2 4.32Å; L79-L93 HydrophobicContact CD2-CD2 4.21Å; L79-L117 HydrophobicContact CD2-CD2 3.85Å; L79-F127 HydrophobicContact CD2-CE2 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4.11Å; L79-F127 HydrophobicContact CG-CE2 4.35Å; L79-F127 HydrophobicContact CG-CZ 4.36Å
80T84.2Confident77.7Confident63 Ų6381.8 Ų81.839%0.38739%0.39SS..Hα-helixtrans-57.2-44.5173.8-54.50000111.6L76 D84L76-T80 PolarHBondContact O-N 2.9Å; L76-T80 PolarHBondContact O-OG1 3.42Å; T80-D84 WeakPolarHBondContact O-CA 3.24Å; T80-D84 PolarHBondContact O-N 3.37Å
81R84.4Confident76.5Confident148 Ų14880 Ų8056%0.55838%0.384SS*.Hα-helixtrans-67-38.4176.4-66.9172.3-167.3169.911.3112.4E77 Q78 L79 K122E77-R81 VanDerWaalsContact O-CG 3.32Å; E77-R81 WeakPolarHBondContact O-CG 3.46Å; E77-R81 PolarHBondContact O-N 3.02Å; E77-R81 IonicContact OE2-NH2 2.7Å; E77-R81 PolarHBondContact OE2-NH2 3.28Å; Q78-R81 VanDerWaalsContact NE2-NH1 3.19Å; Q78-R81 PolarHBondContact O-N 3.35Å; L79-R81 VanDerWaalsContact C-N 3.31Å; L79-R81 PolarHBondContact O-N 3.04Å; R81-K122 PolarHBondContact O-NZ 3.33Å
82L81.8Confident75.3Confident21 Ų2189.9 Ų89.911%0.1143%0.43CS..Hα-helixtrans-67-45.7-178-164.692.2000110.7Q78 L79 L117 C120 K122 T124 F127Q78-L82 VanDerWaalsContact O-CB 3.28Å; Q78-L82 WeakPolarHBondContact O-CB 3.33Å; Q78-L82 PolarHBondContact O-N 2.91Å; L79-L82 HydrophobicContact CD2-CD2 4.45Å; L79-L82 PolarHBondContact O-N 3.39Å; L79-L82 VanDerWaalsContact O-N 3.14Å; L82-L117 HydrophobicContact CD2-CD2 4.27Å; L82-C120 HydrophobicContact CD2-CB 4.31Å; L82-C120 WeakPolarHBondContact CD2-SG 3.41Å; L82-K122 WeakPolarHBondContact O-CD 3.43Å; L82-K122 WeakPolarHBondContact O-CE 3.44Å; L82-K122 PolarHBondContact O-NZ 2.9Å; L82-T124 HydrophobicContact CD2-CG2 4.21Å; L82-F127 HydrophobicContact CD1-CB 4.47Å
83Y77.4Confident74.6Confident47 Ų4787.8 Ų87.818%0.18442%0.421CS..Hα-helixtrans-89.8-11.3-177.4-72.9-88.2000114.1L79 C85 L117 C120L79-Y83 HydrophobicContact CD2-CD2 4.44Å; L79-Y83 HydrophobicContact CD2-CE2 4.05Å; L79-Y83 WeakPolarHBondContact O-CD2 3.23Å; L79-Y83 PolarHBondContact O-N 3.4Å; Y83-C85 WeakPolarHBondContact CB-SG 3.38Å; Y83-C85 PolarHBondContact O-N 3.46Å; Y83-L117 HydrophobicContact CE2-CD2 4.1Å; Y83-C120 HydrophobicContact CE1-CB 3.95Å; Y83-C120 WeakPolarHBondContact OH-CB 3.43Å
84D69Low74.2Confident133 Ų13389.8 Ų89.871%0.71143%0.431SS*.  trans52.917.2-176.3-98.1-24.7000114T80 K122T80-D84 WeakPolarHBondContact O-CA 3.24Å; T80-D84 PolarHBondContact O-N 3.37Å; D84-K122 IonicContact OD1-NZ 3.25Å; D84-K122 IonicContact OD2-NZ 3.37Å; D84-K122 PolarHBondContact OD2-NZ 3.16Å
85C60Low74Confident16 Ų1688.9 Ų88.911%0.10843%0.429CS..SBendtrans-104.2156.4-175.1630000111.4Y83 E89 I90Y83-C85 WeakPolarHBondContact CB-SG 3.38Å; Y83-C85 PolarHBondContact O-N 3.46Å; C85-E89 HydrophobicContact CB-CB 3.64Å; C85-E89 WeakPolarHBondContact CB-OE2 3.25Å; C85-I90 VanDerWaalsContact SG-CG1 3.51Å
86Q53.6Low74Confident155 Ų15591.2 Ų91.272%0.72444%0.441SS*.  trans-65150.1164.2-80.9175.659.800108.5E88 E89Q86-E88 PolarHBondContact O-N 3.41Å; Q86-E89 PolarHBondContact O-N 3.46Å
87E55.1Low74.2Confident161 Ų16186.7 Ų86.775%0.75242%0.418SS*.G310 helixtrans-45.2-27.9-176.7-169.4175.6-179.600114E89 I90E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.02Å; E87-I90 PolarHBondContact O-N 3.21Å
88E49.9Very low74.3Confident180 Ų18083 Ų8384%0.84140%0.401SS*.G310 helixtrans-70.1-15.4178.9-63176.2154.400115.7Q86Q86-E88 PolarHBondContact O-N 3.41Å
89E52.4Low74.4Confident149 Ų14983.9 Ų83.970%0.69641%0.405SS*.G310 helixtrans-108-5.3178.9-94.4179.9-179.900113.1C85 Q86 E87 P91C85-E89 HydrophobicContact CB-CB 3.64Å; C85-E89 WeakPolarHBondContact CB-OE2 3.25Å; Q86-E89 PolarHBondContact O-N 3.46Å; E87-E89 VanDerWaalsContact C-N 3.33Å; E87-E89 PolarHBondContact O-N 3.02Å; E89-P91 WeakPolarHBondContact O-CD 3.3Å
90I62.6Low74.7Confident32 Ų3283.7 Ų83.716%0.16441%0.405CS..SBendtrans-69120.9169.3-56.1178.7000105.7C85 E87C85-I90 VanDerWaalsContact SG-CG1 3.51Å; E87-I90 PolarHBondContact O-N 3.21Å
91P65.9Low75Confident61 Ų6182.2 Ų82.240%0.39639%0.394SS..  trans-51.4156.3172.8-21.531.2000110E89 L93E89-P91 WeakPolarHBondContact O-CD 3.3Å; P91-L93 PolarHBondContact O-N 3.15Å
92E68.8Low75.3Confident210 Ų21079.9 Ų79.998%0.98139%0.393SS*.  trans-64.673.9171-69.8178-132.200110.1
93L75.6Confident75.9Confident40 Ų4080.8 Ų80.821%0.20940%0.397CS..  trans-94.8100.6-173.8-172.766.3000108.7L79 P91 I95 L116 L117L79-L93 HydrophobicContact CD1-CD2 4.32Å; L79-L93 HydrophobicContact CD2-CD2 4.21Å; P91-L93 PolarHBondContact O-N 3.15Å; L93-I95 HydrophobicContact CG-CG1 4.49Å; L93-L116 HydrophobicContact CD1-CB 3.73Å; L93-L116 HydrophobicContact CD1-CD2 4.13Å; L93-L116 HydrophobicContact CD1-CG 4.45Å; L93-L116 WeakPolarHBondContact CD1-O 3.44Å; L93-L117 HydrophobicContact CD2-CD2 3.6Å
94E83.9Confident76.4Confident163 Ų16388.1 Ų88.176%0.76243%0.433SS*.  trans-92.7109.2176.5-169.1175.2177.900110.3
95I88.8Confident77.5Confident21 Ų2184.3 Ų84.311%0.10842%0.417CS..  trans-90.999.9170.6-57.3-179.6000108.2I75 L93 V97 L100 L116 F127 L131I75-I95 HydrophobicContact CG2-CD1 3.95Å; L93-I95 HydrophobicContact CG-CG1 4.49Å; I95-V97 PolarHBondContact O-N 3.5Å; I95-V97 VanDerWaalsContact O-N 3.1Å; I95-L100 HydrophobicContact CG2-CD1 3.78Å; I95-L116 HydrophobicContact CG1-CD1 4.22Å; I95-F127 HydrophobicContact CD1-CE1 4.12Å; I95-F127 HydrophobicContact CD1-CZ 3.81Å; I95-L131 HydrophobicContact CD1-CD2 4.41Å; I95-L131 HydrophobicContact CG2-CD2 4.25Å
96D89.9Confident79.1Confident65 Ų6585.7 Ų85.735%0.34842%0.423SS..  trans-75.699.1173.6-170.8-13.7000110.6D98 E99 L100D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.15Å; D96-D98 WeakPolarHBondContact OD1-CA 3.48Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D96-E99 HydrophobicContact CB-CB 3.81Å; D96-E99 WeakPolarHBondContact O-CB 3.37Å; D96-E99 PolarHBondContact O-N 3.47Å; D96-E99 PolarHBondContact OD1-N 3.01Å; D96-E99 VanDerWaalsContact OD1-N 3.16Å; D96-L100 WeakPolarHBondContact O-CG 3.46Å; D96-L100 PolarHBondContact O-N 2.98Å; D96-L100 VanDerWaalsContact O-N 3.08Å
97V91.1Very high81Confident2 Ų284.8 Ų84.81%0.01242%0.423CS..Hα-helixtrans-66.8-27.7177.6172.70000112R68 L71 I75 I95 L100 L101 I135 M138R68-V97 VanDerWaalsContact CZ-CB 3.46Å; R68-V97 VanDerWaalsContact NH1-CB 3.25Å; R68-V97 VanDerWaalsContact NH1-CG1 3.33Å; L71-V97 HydrophobicContact CD2-CB 4.47Å; L71-V97 HydrophobicContact CD2-CG1 3.95Å; L71-V97 HydrophobicContact CD2-CG2 3.66Å; I75-V97 HydrophobicContact CD1-CG2 4.47Å; I95-V97 PolarHBondContact O-N 3.5Å; I95-V97 VanDerWaalsContact O-N 3.1Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-L101 HydrophobicContact CG1-CD1 4.08Å; V97-L101 HydrophobicContact CG1-CG 4.27Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.39Å; V97-I135 HydrophobicContact CG1-CG2 4.01Å; V97-M138 HydrophobicContact CG1-CE 4.28Å
98D89.9Confident82.9Confident24 Ų2479.1 Ų79.113%0.12840%0.403CS..Hα-helixtrans-70.5-37.8176.4-722.3000110.3R68 D96 L101 D102R68-D98 IonicContact NH1-OD1 2.72Å; R68-D98 PolarHBondContact NH1-OD1 2.83Å; D96-D98 VanDerWaalsContact C-N 3.27Å; D96-D98 PolarHBondContact O-N 3.15Å; D96-D98 WeakPolarHBondContact OD1-CA 3.48Å; D96-D98 WeakPolarHBondContact OD1-CB 3.46Å; D96-D98 PolarHBondContact OD1-N 3.24Å; D98-L101 PolarHBondContact O-N 3.39Å; D98-D102 VanDerWaalsContact O-CG 3.29Å; D98-D102 PolarHBondContact O-N 3.14Å
99E92.2Very high85.1Confident64 Ų6472 Ų7230%0.29937%0.369SS..Hα-helixtrans-58.9-47.7169.8-165.1-163145.200110.8D96 L101 D102 M103 R112D96-E99 HydrophobicContact CB-CB 3.81Å; D96-E99 WeakPolarHBondContact O-CB 3.37Å; D96-E99 PolarHBondContact O-N 3.47Å; D96-E99 PolarHBondContact OD1-N 3.01Å; D96-E99 VanDerWaalsContact OD1-N 3.16Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.17Å; E99-D102 PolarHBondContact O-N 3.3Å; E99-M103 HydrophobicContact CG-CE 4.13Å; E99-M103 PolarHBondContact O-N 3.13Å; E99-M103 WeakPolarHBondContact OE1-CE 3.21Å; E99-R112 IonicContact OE1-CZ 3.71Å; E99-R112 IonicContact OE1-NE 2.96Å; E99-R112 PolarHBondContact OE1-NE 3.31Å; E99-R112 IonicContact OE1-NH2 2.81Å; E99-R112 PolarHBondContact OE1-NH2 3.5Å; E99-R112 IonicContact OE2-CZ 2.66Å; E99-R112 IonicContact OE2-NE 3.66Å; E99-R112 IonicContact OE2-NH2 3.42Å; E99-R112 PolarHBondContact OE2-NH2 3.04Å
100L92.3Very high87Confident3 Ų366.1 Ų66.12%0.01635%0.345CS..Hα-helixtrans-63.2-37.6178.3-63.9179.6000112.5I95 D96 V97 D102 M103 R109 R112 V113 L131 I135I95-L100 HydrophobicContact CG2-CD1 3.78Å; D96-L100 WeakPolarHBondContact O-CG 3.46Å; D96-L100 PolarHBondContact O-N 2.98Å; D96-L100 VanDerWaalsContact O-N 3.08Å; V97-L100 PolarHBondContact O-N 2.97Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 2.78Å; L100-M103 HydrophobicContact CD2-SD 4.38Å; L100-M103 PolarHBondContact O-N 3.46Å; L100-R109 HydrophobicContact CD2-CB 4.28Å; L100-R109 WeakPolarHBondContact O-CD 3.26Å; L100-R109 WeakPolarHBondContact O-CG 3.35Å; L100-R109 PolarHBondContact O-NE 2.92Å; L100-R112 HydrophobicContact CD2-CB 4.09Å; L100-R112 HydrophobicContact CD2-CG 4.04Å; L100-V113 HydrophobicContact CD1-CG2 3.87Å; L100-V113 HydrophobicContact CD2-CG2 4Å; L100-L131 HydrophobicContact CD1-CD2 4.25Å; L100-I135 HydrophobicContact CB-CD1 3.99Å; L100-I135 HydrophobicContact CD1-CD1 4.33Å
101L91.3Very high88.6Confident32 Ų3266.9 Ų66.917%0.16836%0.357CS..Hα-helixtrans-68.9-28176.9-74.3173000112.7V97 D98 E99 M103 I135 M138V97-L101 HydrophobicContact CG1-CD1 4.08Å; V97-L101 HydrophobicContact CG1-CG 4.27Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.22Å; V97-L101 WeakPolarHBondContact O-CG 3.37Å; V97-L101 PolarHBondContact O-N 3.39Å; D98-L101 PolarHBondContact O-N 3.39Å; E99-L101 VanDerWaalsContact C-N 3.33Å; E99-L101 PolarHBondContact O-N 3.17Å; L101-M103 VanDerWaalsContact C-N 3.3Å; L101-I135 HydrophobicContact CD2-CB 4.3Å; L101-I135 WeakPolarHBondContact CD2-O 3.39Å; L101-M138 HydrophobicContact CD1-CB 4.36Å; L101-M138 HydrophobicContact CD2-CB 4.37Å
102D90.6Very high89.9Confident99 Ų9967.8 Ų67.853%0.52935%0.352SS..Hα-helixtrans-74.7-19.7175.9-73.3-21.3000113D98 E99 L100 K140D98-D102 VanDerWaalsContact O-CG 3.29Å; D98-D102 PolarHBondContact O-N 3.14Å; E99-D102 PolarHBondContact O-N 3.3Å; L100-D102 VanDerWaalsContact C-N 3.3Å; L100-D102 PolarHBondContact O-N 2.78Å; D102-K140 IonicContact OD1-NZ 3.04Å; D102-K140 PolarHBondContact OD1-NZ 2.7Å; D102-K140 IonicContact OD2-NZ 3.43Å; D102-K140 PolarHBondContact OD2-NZ 2.82Å
103M92.8Very high91Very high40 Ų4057.8 Ų57.820%0.19731%0.306CS..  trans-74.7140.6176.2-63.1-177.1-175.200111.7E99 L100 L101 A108 R109 R112E99-M103 HydrophobicContact CG-CE 4.13Å; E99-M103 PolarHBondContact O-N 3.13Å; E99-M103 WeakPolarHBondContact OE1-CE 3.21Å; L100-M103 HydrophobicContact CD2-SD 4.38Å; L100-M103 PolarHBondContact O-N 3.46Å; L101-M103 VanDerWaalsContact C-N 3.3Å; M103-A108 HydrophobicContact SD-CB 4.26Å; M103-R109 HydrophobicContact CB-CG 3.69Å; M103-R109 HydrophobicContact CG-CG 4.41Å; M103-R109 PolarHBondContact O-NE 3.46Å; M103-R109 VanDerWaalsContact O-NE 3.13Å; M103-R109 PolarHBondContact O-NH2 3.13Å; M103-R109 HydrophobicContact SD-CG 4.08Å; M103-R112 HydrophobicContact CE-CB 3.83Å; M103-R112 HydrophobicContact CE-CG 3.69Å; M103-R112 HydrophobicContact SD-CB 4.15Å
104E87.9Confident91.7Very high201 Ų20161 Ų6194%0.93932%0.318SS*.SBendtrans-83.8-24.8-173.6-61-177127.600114
105S92.6Very high92Very high53 Ų5359.1 Ų59.137%0.37131%0.309SS..  trans-122.7145.1-176.272.20000112.9D107 A108 R109S105-D107 PolarHBondContact O-N 3.42Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact OG-CB 3.26Å; S105-A108 WeakPolarHBondContact OG-CB 3.42Å; S105-A108 PolarHBondContact OG-N 2.96Å; S105-A108 VanDerWaalsContact OG-N 3.17Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 3.35Å; S105-R109 VanDerWaalsContact O-N 3.14Å
106D93.8Very high92Very high44 Ų4460.3 Ų60.324%0.23532%0.315CS..Hα-helixtrans-64.1-31.5174.5-66.1-31.2000112R109 A110 L132 R136D106-R109 PolarHBondContact O-N 3.36Å; D106-R109 IonicContact OD1-NH1 3.06Å; D106-R109 PolarHBondContact OD1-NH1 3.5Å; D106-A110 VanDerWaalsContact O-CB 3.25Å; D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 2.92Å; D106-L132 HydrophobicContact CB-CD1 4.33Å; D106-R136 IonicContact OD1-CZ 3.34Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 IonicContact OD1-NH2 3.02Å; D106-R136 IonicContact OD2-CZ 3.98Å; D106-R136 IonicContact OD2-NH1 3.95Å; D106-R136 PolarHBondContact OD2-NH1 2.76Å; D106-R136 IonicContact OD2-NH2 2.88Å; D106-R136 PolarHBondContact OD2-NH2 3.06Å
107D94.1Very high91.9Very high137 Ų13757.4 Ų57.473%0.73330%0.3SS*.Hα-helixtrans-65.1-41.5176.6-65.5-27000111.6S105 A110 A111S105-D107 PolarHBondContact O-N 3.42Å; D107-A110 PolarHBondContact O-N 2.89Å; D107-A111 WeakPolarHBondContact O-CB 3.42Å; D107-A111 PolarHBondContact O-N 3.03Å
108A94.6Very high91.5Very high41 Ų4162.4 Ų62.434%0.33933%0.33SS..Hα-helixtrans-66.1-42.6175.700000111.1M103 S105 A110 A111 R112M103-A108 HydrophobicContact SD-CB 4.26Å; S105-A108 PolarHBondContact O-N 2.87Å; S105-A108 VanDerWaalsContact OG-CB 3.26Å; S105-A108 WeakPolarHBondContact OG-CB 3.42Å; S105-A108 PolarHBondContact OG-N 2.96Å; S105-A108 VanDerWaalsContact OG-N 3.17Å; A108-A110 PolarHBondContact O-N 2.81Å; A108-A111 PolarHBondContact O-N 3.26Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.05Å
109R95.1Very high90.9Very high32 Ų3266.2 Ų66.212%0.12135%0.35CS..Hα-helixtrans-61.2-44.5175-65.4168.7-175.2-178.9-4.6111.4L100 M103 S105 D106 R112 V113 L132L100-R109 HydrophobicContact CD2-CB 4.28Å; L100-R109 WeakPolarHBondContact O-CD 3.26Å; L100-R109 WeakPolarHBondContact O-CG 3.35Å; L100-R109 PolarHBondContact O-NE 2.92Å; M103-R109 HydrophobicContact CB-CG 3.69Å; M103-R109 HydrophobicContact CG-CG 4.41Å; M103-R109 PolarHBondContact O-NE 3.46Å; M103-R109 VanDerWaalsContact O-NE 3.13Å; M103-R109 PolarHBondContact O-NH2 3.13Å; M103-R109 HydrophobicContact SD-CG 4.08Å; S105-R109 WeakPolarHBondContact O-CG 3.49Å; S105-R109 PolarHBondContact O-N 3.35Å; S105-R109 VanDerWaalsContact O-N 3.14Å; D106-R109 PolarHBondContact O-N 3.36Å; D106-R109 IonicContact OD1-NH1 3.06Å; D106-R109 PolarHBondContact OD1-NH1 3.5Å; R109-R112 PolarHBondContact O-N 3.18Å; R109-V113 VanDerWaalsContact O-CG2 3.3Å; R109-V113 WeakPolarHBondContact O-CG2 3.4Å; R109-V113 PolarHBondContact O-N 3.03Å; R109-L132 HydrophobicContact CB-CD2 3.39Å; R109-L132 HydrophobicContact CG-CD2 4.37Å
110A94.3Very high90.4Very high24 Ų2464 Ų6420%0.19834%0.342CS..Hα-helixtrans-61.1-46.9177.400000111.4D106 D107 A108 R112 V113 K114 I128 L132D106-A110 VanDerWaalsContact O-CB 3.25Å; D106-A110 WeakPolarHBondContact O-CB 3.45Å; D106-A110 PolarHBondContact O-N 2.92Å; D107-A110 PolarHBondContact O-N 2.89Å; A108-A110 PolarHBondContact O-N 2.81Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.02Å; A110-V113 PolarHBondContact O-N 3.18Å; A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.33Å; A110-K114 PolarHBondContact O-N 3.35Å; A110-I128 HydrophobicContact CB-CG2 3.71Å; A110-L132 HydrophobicContact CB-CD1 4.08Å
111A94.4Very high89.5Confident49 Ų4974.9 Ų74.941%0.40538%0.384SS..Hα-helixtrans-59.5-45177.400000111.2D107 A108 V113 K114 E115D107-A111 WeakPolarHBondContact O-CB 3.42Å; D107-A111 PolarHBondContact O-N 3.03Å; A108-A111 PolarHBondContact O-N 3.26Å; A111-V113 PolarHBondContact O-N 2.89Å; A111-K114 WeakPolarHBondContact O-CB 3.39Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.13Å; A111-E115 WeakPolarHBondContact O-CG 3.38Å; A111-E115 PolarHBondContact O-N 3.01Å
112R94.1Very high89.1Confident80 Ų8077.1 Ų77.130%0.30239%0.393SS..Hα-helixtrans-59.8-46.6177.5-174.260.8167.71477.7112.6E99 L100 M103 A108 R109 A110 K114 E115 L116E99-R112 IonicContact OE1-CZ 3.71Å; E99-R112 IonicContact OE1-NE 2.96Å; E99-R112 PolarHBondContact OE1-NE 3.31Å; E99-R112 IonicContact OE1-NH2 2.81Å; E99-R112 PolarHBondContact OE1-NH2 3.5Å; E99-R112 IonicContact OE2-CZ 2.66Å; E99-R112 IonicContact OE2-NE 3.66Å; E99-R112 IonicContact OE2-NH2 3.42Å; E99-R112 PolarHBondContact OE2-NH2 3.04Å; L100-R112 HydrophobicContact CD2-CB 4.09Å; L100-R112 HydrophobicContact CD2-CG 4.04Å; M103-R112 HydrophobicContact CE-CB 3.83Å; M103-R112 HydrophobicContact CE-CG 3.69Å; M103-R112 HydrophobicContact SD-CB 4.15Å; A108-R112 WeakPolarHBondContact O-CB 3.48Å; A108-R112 PolarHBondContact O-N 3.05Å; R109-R112 PolarHBondContact O-N 3.18Å; A110-R112 VanDerWaalsContact C-N 3.33Å; A110-R112 PolarHBondContact O-N 3.02Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.63Å; R112-E115 IonicContact NH1-OE2 3.96Å; R112-E115 PolarHBondContact O-N 3.1Å; R112-L116 WeakPolarHBondContact O-CG 3.3Å; R112-L116 PolarHBondContact O-N 3.08Å
113V92.2Very high88.9Confident0 Ų077.8 Ų77.80%040%0.403CS..Hα-helixtrans-65-34.8176.9177.20000111L100 R109 A110 A111 L116 L117 F127 I128 L131L100-V113 HydrophobicContact CD1-CG2 3.87Å; L100-V113 HydrophobicContact CD2-CG2 4Å; R109-V113 VanDerWaalsContact O-CG2 3.3Å; R109-V113 WeakPolarHBondContact O-CG2 3.4Å; R109-V113 PolarHBondContact O-N 3.03Å; A110-V113 PolarHBondContact O-N 3.18Å; A111-V113 PolarHBondContact O-N 2.89Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.32Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.96Å; V113-F127 HydrophobicContact CG1-CD1 4.19Å; V113-F127 HydrophobicContact CG1-CE1 3.78Å; V113-I128 HydrophobicContact CB-CG1 4.41Å; V113-I128 HydrophobicContact CG1-CG1 3.87Å; V113-L131 HydrophobicContact CG1-CD2 4.01Å; V113-L131 HydrophobicContact CG2-CD2 3.71Å
114K90.6Very high88.8Confident106 Ų10676.6 Ų76.646%0.46140%0.397SS..Hα-helixtrans-69.2-36.4177.8-167165.8-172.9155.20112.7A110 A111 R112 L116 L117 V118 E125 I128A110-K114 VanDerWaalsContact O-CB 3.3Å; A110-K114 WeakPolarHBondContact O-CB 3.33Å; A110-K114 PolarHBondContact O-N 3.35Å; A111-K114 WeakPolarHBondContact O-CB 3.39Å; A111-K114 PolarHBondContact O-N 3.22Å; A111-K114 VanDerWaalsContact O-N 3.13Å; R112-K114 VanDerWaalsContact C-N 3.27Å; R112-K114 PolarHBondContact O-N 2.63Å; K114-L116 VanDerWaalsContact C-N 3.33Å; K114-L117 CarbonylContact O-C 3.5Å; K114-L117 PolarHBondContact O-N 3.49Å; K114-V118 PolarHBondContact O-N 3.06Å; K114-E125 IonicContact NZ-OE1 2.74Å; K114-E125 PolarHBondContact NZ-OE1 3.37Å; K114-I128 HydrophobicContact CB-CD1 4.12Å; K114-I128 HydrophobicContact CG-CD1 4.45Å
115E90.7Very high88.9Confident125 Ų12572.3 Ų72.358%0.58438%0.377SS*.Hα-helixtrans-63-40.8172-72.7177.5173.100111.7A111 R112 L117 V118A111-E115 WeakPolarHBondContact O-CG 3.38Å; A111-E115 PolarHBondContact O-N 3.01Å; R112-E115 IonicContact NH1-OE2 3.96Å; R112-E115 PolarHBondContact O-N 3.1Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.18Å; E115-V118 WeakPolarHBondContact O-CB 3.43Å; E115-V118 WeakPolarHBondContact O-CG1 3.2Å; E115-V118 PolarHBondContact O-N 3.37Å
116L88.6Confident88.8Confident45 Ų4573.6 Ų73.624%0.23639%0.391CS..Hα-helixtrans-62.7-37.5174.9-72.2176.8000111.3L93 I95 R112 V113 K114 V118L93-L116 HydrophobicContact CD1-CB 3.73Å; L93-L116 HydrophobicContact CD1-CD2 4.13Å; L93-L116 HydrophobicContact CD1-CG 4.45Å; L93-L116 WeakPolarHBondContact CD1-O 3.44Å; I95-L116 HydrophobicContact CG1-CD1 4.22Å; R112-L116 WeakPolarHBondContact O-CG 3.3Å; R112-L116 PolarHBondContact O-N 3.08Å; V113-L116 WeakPolarHBondContact O-CB 3.49Å; V113-L116 PolarHBondContact O-N 3.32Å; K114-L116 VanDerWaalsContact C-N 3.33Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-V118 PolarHBondContact O-N 3.19Å
117L87.3Confident88.7Confident5 Ų571.9 Ų71.93%0.02638%0.382CS..THydrogen-bonded Turntrans-90.421.4-180-63.2171.8000114.5L79 L82 Y83 L93 V113 K114 E115 D119 C120 T124 F127L79-L117 HydrophobicContact CD2-CD2 3.85Å; L82-L117 HydrophobicContact CD2-CD2 4.27Å; Y83-L117 HydrophobicContact CE2-CD2 4.1Å; L93-L117 HydrophobicContact CD2-CD2 3.6Å; V113-L117 HydrophobicContact CG1-CD1 3.96Å; V113-L117 WeakPolarHBondContact O-CG 3.46Å; V113-L117 PolarHBondContact O-N 2.96Å; K114-L117 CarbonylContact O-C 3.5Å; K114-L117 PolarHBondContact O-N 3.49Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.18Å; L117-D119 PolarHBondContact O-N 3.33Å; L117-D119 VanDerWaalsContact O-N 3.16Å; L117-C120 HydrophobicContact CB-CB 4.35Å; L117-C120 VanDerWaalsContact O-CB 3.25Å; L117-C120 WeakPolarHBondContact O-CB 3.44Å; L117-C120 PolarHBondContact O-N 2.82Å; L117-T124 HydrophobicContact CB-CG2 4.05Å; L117-T124 HydrophobicContact CD1-CG2 3.85Å; L117-F127 HydrophobicContact CD1-CD1 3.55Å; L117-F127 HydrophobicContact CD1-CE1 3.78Å
118V82.4Confident88.7Confident107 Ų10765.7 Ų65.765%0.64835%0.349SS*.THydrogen-bonded Turntrans-57.9-32.5-174.166.60000113.6K114 E115 L116 C120K114-V118 PolarHBondContact O-N 3.06Å; E115-V118 WeakPolarHBondContact O-CB 3.43Å; E115-V118 WeakPolarHBondContact O-CG1 3.2Å; E115-V118 PolarHBondContact O-N 3.37Å; L116-V118 VanDerWaalsContact C-N 3.33Å; L116-V118 PolarHBondContact O-N 3.19Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 3.35Å
119D78.5Confident88.7Confident103 Ų10366.5 Ų66.555%0.55135%0.352SS*.THydrogen-bonded Turntrans-85.13.1179.9-62.2-43.4000113.2L117 Y121L117-D119 PolarHBondContact O-N 3.33Å; L117-D119 VanDerWaalsContact O-N 3.16Å; D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.21Å
120C79.7Confident88.6Confident19 Ų1966 Ų6613%0.12836%0.357CS..  trans-81.7122.4176-163.60000111.8L82 Y83 L117 V118 K122 T124L82-C120 HydrophobicContact CD2-CB 4.31Å; L82-C120 WeakPolarHBondContact CD2-SG 3.41Å; Y83-C120 HydrophobicContact CE1-CB 3.95Å; Y83-C120 WeakPolarHBondContact OH-CB 3.43Å; L117-C120 HydrophobicContact CB-CB 4.35Å; L117-C120 VanDerWaalsContact O-CB 3.25Å; L117-C120 WeakPolarHBondContact O-CB 3.44Å; L117-C120 PolarHBondContact O-N 2.82Å; V118-C120 VanDerWaalsContact C-N 3.27Å; V118-C120 PolarHBondContact O-N 3.35Å; C120-K122 VanDerWaalsContact C-N 3.35Å; C120-T124 HydrophobicContact CB-CG2 3.9Å
121Y74.9Confident88.6Confident230 Ų23064.9 Ų64.990%0.90235%0.347SS*.  trans-86.9-3.1176.3-58.4-83.5000113.8D119D119-Y121 WeakPolarHBondContact O-CD2 3.43Å; D119-Y121 WeakPolarHBondContact O-CE2 3.21Å
122K82.8Confident88.6Confident80 Ų8063.2 Ų63.235%0.34833%0.332SS..SBendtrans-100.4158.2180-66.3-154.3-157.5160.50111.3R81 L82 D84 C120 T124R81-K122 PolarHBondContact O-NZ 3.33Å; L82-K122 WeakPolarHBondContact O-CD 3.43Å; L82-K122 WeakPolarHBondContact O-CE 3.44Å; L82-K122 PolarHBondContact O-NZ 2.9Å; D84-K122 IonicContact OD1-NZ 3.25Å; D84-K122 IonicContact OD2-NZ 3.37Å; D84-K122 PolarHBondContact OD2-NZ 3.16Å; C120-K122 VanDerWaalsContact C-N 3.35Å; K122-T124 WeakPolarHBondContact O-CG2 3.31Å; K122-T124 PolarHBondContact O-N 3.41Å
123P85.3Confident88.6Confident113 Ų11364.3 Ų64.373%0.73434%0.343SS*.  trans-63118.8175.825.2-34.6000111.5
124T90.6Very high88.6Confident14 Ų1468.2 Ų68.29%0.08636%0.36CS..  trans-94.3-9.4-177.2580000113.9L82 L117 C120 K122 A126 F127 I128L82-T124 HydrophobicContact CD2-CG2 4.21Å; L117-T124 HydrophobicContact CB-CG2 4.05Å; L117-T124 HydrophobicContact CD1-CG2 3.85Å; C120-T124 HydrophobicContact CB-CG2 3.9Å; K122-T124 WeakPolarHBondContact O-CG2 3.31Å; K122-T124 PolarHBondContact O-N 3.41Å; T124-A126 VanDerWaalsContact C-N 3.3Å; T124-A126 PolarHBondContact O-N 3.08Å; T124-F127 WeakPolarHBondContact O-CA 3.43Å; T124-F127 WeakPolarHBondContact O-CB 3.43Å; T124-F127 PolarHBondContact O-N 3.16Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 3.29Å
125E90.3Very high88.7Confident111 Ų11163.2 Ų63.252%0.51934%0.339SS..Hα-helixtrans-58.5-37.5-173.1-58.9-62.4151.400113.1K114 S129K114-E125 IonicContact NZ-OE1 2.74Å; K114-E125 PolarHBondContact NZ-OE1 3.37Å; E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.74Å
126A91.1Very high88.6Confident80 Ų8063.9 Ų63.966%0.66134%0.336SS*.Hα-helixtrans-68.6-36.1176.200000112.6T124 S129 G130T124-A126 VanDerWaalsContact C-N 3.3Å; T124-A126 PolarHBondContact O-N 3.08Å; A126-S129 WeakPolarHBondContact CA-OG 3.5Å; A126-S129 PolarHBondContact O-OG 3.06Å; A126-S129 VanDerWaalsContact O-OG 3.12Å; A126-G130 PolarHBondContact O-N 2.81Å; A126-G130 VanDerWaalsContact O-N 3.14Å
127F91.8Very high88.4Confident8 Ų864 Ų644%0.03535%0.347CS..Hα-helixtrans-69.3-47.6174.7170.8-99000110.9W74 I75 Q78 L79 L82 I95 V113 L117 T124 G130 L131W74-F127 HydrophobicContact CH2-CD2 4.07Å; W74-F127 HydrophobicContact CH2-CE2 4.2Å; W74-F127 HydrophobicContact CZ3-CD2 4.41Å; W74-F127 HydrophobicContact CZ3-CE2 4.07Å; I75-F127 HydrophobicContact CG2-CZ 4.31Å; Q78-F127 HydrophobicContact CB-CD2 3.55Å; Q78-F127 HydrophobicContact CB-CE2 3.84Å; Q78-F127 HydrophobicContact CG-CD2 4.19Å; L79-F127 HydrophobicContact CD2-CE2 4.33Å; L79-F127 HydrophobicContact CD2-CZ 4.11Å; L79-F127 HydrophobicContact CG-CE2 4.35Å; L79-F127 HydrophobicContact CG-CZ 4.36Å; L82-F127 HydrophobicContact CD1-CB 4.47Å; I95-F127 HydrophobicContact CD1-CE1 4.12Å; I95-F127 HydrophobicContact CD1-CZ 3.81Å; V113-F127 HydrophobicContact CG1-CD1 4.19Å; V113-F127 HydrophobicContact CG1-CE1 3.78Å; L117-F127 HydrophobicContact CD1-CD1 3.55Å; L117-F127 HydrophobicContact CD1-CE1 3.78Å; T124-F127 WeakPolarHBondContact O-CA 3.43Å; T124-F127 WeakPolarHBondContact O-CB 3.43Å; T124-F127 PolarHBondContact O-N 3.16Å; F127-G130 PolarHBondContact O-N 3.4Å; F127-L131 HydrophobicContact CE1-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CD2 4.15Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 2.63Å
128I93.4Very high88.5Confident7 Ų764.7 Ų64.74%0.03635%0.351CS..Hα-helixtrans-58.8-52.6-179.8-65.8167.4000109.9A110 V113 K114 T124 G130 L131 L132A110-I128 HydrophobicContact CB-CG2 3.71Å; V113-I128 HydrophobicContact CB-CG1 4.41Å; V113-I128 HydrophobicContact CG1-CG1 3.87Å; K114-I128 HydrophobicContact CB-CD1 4.12Å; K114-I128 HydrophobicContact CG-CD1 4.45Å; T124-I128 WeakPolarHBondContact O-CG1 3.43Å; T124-I128 PolarHBondContact O-N 3.29Å; I128-G130 PolarHBondContact O-N 2.93Å; I128-L131 PolarHBondContact O-N 2.72Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.37Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 2.94Å
129S94.4Very high88.8Confident59 Ų5966.2 Ų66.241%0.41335%0.351SS..Hα-helixtrans-58-46.5177.750.30000112.7E125 A126 L131 L132 D133E125-S129 WeakPolarHBondContact O-CB 3.48Å; E125-S129 PolarHBondContact O-N 3.04Å; E125-S129 PolarHBondContact O-OG 2.74Å; A126-S129 WeakPolarHBondContact CA-OG 3.5Å; A126-S129 PolarHBondContact O-OG 3.06Å; A126-S129 VanDerWaalsContact O-OG 3.12Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.37Å; S129-D133 PolarHBondContact O-N 2.74Å
130G94.2Very high89Confident21 Ų2165.7 Ų65.722%0.21634%0.344CS..Hα-helixtrans-62.9-35.7177.200000113.9W74 A126 F127 I128 K134W74-G130 VanDerWaalsContact CH2-C 3.44Å; A126-G130 PolarHBondContact O-N 2.81Å; A126-G130 VanDerWaalsContact O-N 3.14Å; F127-G130 PolarHBondContact O-N 3.4Å; I128-G130 PolarHBondContact O-N 2.93Å; G130-K134 WeakPolarHBondContact O-CG 3.43Å; G130-K134 PolarHBondContact O-N 3.15Å
131L94.4Very high89.1Confident0 Ų066.2 Ų66.20%035%0.345CS..Hα-helixtrans-68-48.2177175.657.3000110.2L71 W74 I75 I95 L100 V113 F127 I128 S129 D133 K134 I135L71-L131 HydrophobicContact CD1-CD1 3.9Å; L71-L131 HydrophobicContact CD2-CD1 4.48Å; W74-L131 HydrophobicContact CH2-CB 4.01Å; W74-L131 VanDerWaalsContact CH2-N 3.28Å; W74-L131 HydrophobicContact CZ3-CB 3.85Å; W74-L131 HydrophobicContact CZ3-CD1 4.06Å; I75-L131 HydrophobicContact CD1-CD1 3.82Å; I75-L131 HydrophobicContact CG1-CD1 4.05Å; I95-L131 HydrophobicContact CD1-CD2 4.41Å; I95-L131 HydrophobicContact CG2-CD2 4.25Å; L100-L131 HydrophobicContact CD1-CD2 4.25Å; V113-L131 HydrophobicContact CG1-CD2 4.01Å; V113-L131 HydrophobicContact CG2-CD2 3.71Å; F127-L131 HydrophobicContact CE1-CD2 4.05Å; F127-L131 HydrophobicContact CZ-CD2 4.15Å; F127-L131 WeakPolarHBondContact O-CB 3.36Å; F127-L131 PolarHBondContact O-N 2.63Å; I128-L131 PolarHBondContact O-N 2.72Å; S129-L131 VanDerWaalsContact C-N 3.32Å; S129-L131 PolarHBondContact O-N 2.94Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.89Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L131-I135 HydrophobicContact CD1-CG2 4.03Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.08Å
132L94.3Very high88.8Confident15 Ų1559.4 Ų59.48%0.07933%0.331CS..Hα-helixtrans-56.8-44.6177.6-66.8176.1000111.6D106 R109 A110 I128 S129 K134 I135 R136D106-L132 HydrophobicContact CB-CD1 4.33Å; R109-L132 HydrophobicContact CB-CD2 3.39Å; R109-L132 HydrophobicContact CG-CD2 4.37Å; A110-L132 HydrophobicContact CB-CD1 4.08Å; I128-L132 HydrophobicContact CG2-CD1 3.98Å; I128-L132 HydrophobicContact CG2-CG 4.37Å; I128-L132 VanDerWaalsContact O-CG 3.24Å; I128-L132 WeakPolarHBondContact O-CG 3.41Å; I128-L132 PolarHBondContact O-N 2.94Å; S129-L132 PolarHBondContact O-N 3.37Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.89Å; L132-I135 HydrophobicContact CD2-CD1 4Å; L132-I135 VanDerWaalsContact O-CG1 3.23Å; L132-I135 WeakPolarHBondContact O-CG1 3.22Å; L132-I135 PolarHBondContact O-N 3.34Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; L132-R136 VanDerWaalsContact O-N 3.09Å
133D94.2Very high87.8Confident103 Ų10359.5 Ų59.555%0.55134%0.338SS*.Hα-helixtrans-63.7-35.8178.7-74.9-18.9000112.9S129 L131 R136S129-D133 PolarHBondContact O-N 2.74Å; L131-D133 VanDerWaalsContact C-N 3.31Å; L131-D133 PolarHBondContact O-N 2.89Å; D133-R136 IonicContact OD1-NE 3.51Å; D133-R136 PolarHBondContact OD1-NE 3.24Å
134K91.9Very high86.4Confident82 Ų8257.9 Ų57.936%0.35733%0.328SS..Hα-helixtrans-70.6-42.8176.4-76.5171171.1-103.30112.4L71 W74 G130 L131 L132 R136 G137L71-K134 HydrophobicContact CD1-CB 3.77Å; L71-K134 HydrophobicContact CD1-CD 3.81Å; L71-K134 HydrophobicContact CD1-CG 4.41Å; W74-K134 HydrophobicContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CD2-CD 3.44Å; W74-K134 VanDerWaalsContact CE2-CE 3.41Å; W74-K134 HydrophobicContact CE3-CD 3.47Å; W74-K134 VanDerWaalsContact CE3-CD 3.47Å; W74-K134 HydrophobicContact CG-CD 3.93Å; W74-K134 HydrophobicContact CH2-CD 4.28Å; W74-K134 HydrophobicContact CZ2-CD 4.22Å; W74-K134 HydrophobicContact CZ3-CD 3.92Å; G130-K134 WeakPolarHBondContact O-CG 3.43Å; G130-K134 PolarHBondContact O-N 3.15Å; L131-K134 PolarHBondContact O-N 3.03Å; L131-K134 VanDerWaalsContact O-N 3.14Å; L132-K134 VanDerWaalsContact C-N 3.31Å; L132-K134 PolarHBondContact O-N 2.89Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.8Å; K134-G137 PolarHBondContact O-N 3.24Å
135I92Very high84.6Confident0 Ų065 Ų650%036%0.36CS..Hα-helixtrans-72.7-24.1-178.464.6175.2000112.9L71 V97 L100 L101 L131 L132 G137 M138L71-I135 HydrophobicContact CD2-CG2 3.79Å; V97-I135 HydrophobicContact CG1-CG2 4.01Å; L100-I135 HydrophobicContact CB-CD1 3.99Å; L100-I135 HydrophobicContact CD1-CD1 4.33Å; L101-I135 HydrophobicContact CD2-CB 4.3Å; L101-I135 WeakPolarHBondContact CD2-O 3.39Å; L131-I135 HydrophobicContact CD1-CG2 4.03Å; L131-I135 WeakPolarHBondContact O-CG1 3.33Å; L131-I135 PolarHBondContact O-N 3.08Å; L132-I135 HydrophobicContact CD2-CD1 4Å; L132-I135 VanDerWaalsContact O-CG1 3.23Å; L132-I135 WeakPolarHBondContact O-CG1 3.22Å; L132-I135 PolarHBondContact O-N 3.34Å; I135-G137 PolarHBondContact O-N 2.76Å; I135-G137 VanDerWaalsContact O-N 3.1Å; I135-M138 HydrophobicContact CG2-SD 4.32Å; I135-M138 PolarHBondContact O-N 2.7Å
136R89.1Confident82.5Confident140 Ų14069.6 Ų69.653%0.52838%0.378SS..THydrogen-bonded Turntrans-53.4-31.8173.2-78.2178.9-154.2-80.6-3.1113.3D106 L132 D133 K134D106-R136 IonicContact OD1-CZ 3.34Å; D106-R136 IonicContact OD1-NH1 2.71Å; D106-R136 IonicContact OD1-NH2 3.02Å; D106-R136 IonicContact OD2-CZ 3.98Å; D106-R136 IonicContact OD2-NH1 3.95Å; D106-R136 PolarHBondContact OD2-NH1 2.76Å; D106-R136 IonicContact OD2-NH2 2.88Å; D106-R136 PolarHBondContact OD2-NH2 3.06Å; L132-R136 WeakPolarHBondContact O-CG 3.37Å; L132-R136 PolarHBondContact O-N 3.02Å; L132-R136 VanDerWaalsContact O-N 3.09Å; D133-R136 IonicContact OD1-NE 3.51Å; D133-R136 PolarHBondContact OD1-NE 3.24Å; K134-R136 VanDerWaalsContact C-N 3.34Å; K134-R136 PolarHBondContact O-N 2.8Å
137G84.9Confident80.2Confident46 Ų4678.8 Ų78.847%0.47440%0.403SS..THydrogen-bonded Turntrans-93.54.6-178.500000114.8K67 K134 I135K67-G137 PolarHBondContact NZ-O 2.96Å; K134-G137 PolarHBondContact O-N 3.24Å; I135-G137 PolarHBondContact O-N 2.76Å; I135-G137 VanDerWaalsContact O-N 3.1Å
138M89.5Confident79.6Confident20 Ų2082.3 Ų82.310%0.09942%0.422CS..  trans-101.7152.5-174.1-67.3-1807000112.2E64 R68 L71 V97 L101 I135E64-M138 WeakPolarHBondContact OE1-CA 3.41Å; E64-M138 WeakPolarHBondContact OE1-CB 3.18Å; R68-M138 HydrophobicContact CB-CE 4.13Å; L71-M138 HydrophobicContact CB-CE 4.22Å; L71-M138 HydrophobicContact CB-SD 4.07Å; L71-M138 HydrophobicContact CD2-CE 3.77Å; L71-M138 HydrophobicContact CD2-SD 3.36Å; L71-M138 WeakPolarHBondContact CD2-SD 3.44Å; L71-M138 HydrophobicContact CG-SD 4.22Å; V97-M138 HydrophobicContact CG1-CE 4.28Å; L101-M138 HydrophobicContact CD1-CB 4.36Å; L101-M138 HydrophobicContact CD2-CB 4.37Å; I135-M138 HydrophobicContact CG2-SD 4.32Å; I135-M138 PolarHBondContact O-N 2.7Å
139Q86.7Confident78.9Confident140 Ų14086.3 Ų86.365%0.65444%0.442SS*.  trans-116.3138.9175.1-61.4-163.7-73.600109.7E64 L141E64-Q139 VanDerWaalsContact CD-N 3.35Å; E64-Q139 HydrophobicContact CG-CB 4.19Å; E64-Q139 PolarHBondContact OE1-N 2.75Å; Q139-L141 PolarHBondContact O-N 3.13Å
140K84.6Confident78Confident92 Ų9287.8 Ų87.840%0.444%0.444SS..  trans-57.5122.2177.2-170.1172.8-168.91700110.1D102 S142D102-K140 IonicContact OD1-NZ 3.04Å; D102-K140 PolarHBondContact OD1-NZ 2.7Å; D102-K140 IonicContact OD2-NZ 3.43Å; D102-K140 PolarHBondContact OD2-NZ 2.82Å; K140-S142 PolarHBondContact O-N 2.94Å; K140-S142 VanDerWaalsContact O-N 3.15Å
141L80.4Confident77Confident29 Ų2991.7 Ų91.715%0.15246%0.457CS..  trans-73.7106.9171.5-63.6176.9000106.6Y60 E64 L65 R68 Q139 T143Y60-L141 HydrophobicContact CD1-CB 4.46Å; E64-L141 HydrophobicContact CB-CD2 4.05Å; E64-L141 HydrophobicContact CG-CD2 3.79Å; L65-L141 HydrophobicContact CD2-CD1 3.76Å; L65-L141 HydrophobicContact CD2-CD2 4.36Å; R68-L141 HydrophobicContact CB-CD1 4.28Å; R68-L141 HydrophobicContact CG-CD1 4.24Å; Q139-L141 PolarHBondContact O-N 3.13Å; L141-T143 PolarHBondContact O-N 3.17Å
142S69.9Low76Confident87 Ų8797.4 Ų97.461%0.60849%0.486SS*.  trans-60.5110.2-179.7-69.50000109.9V58 K140V58-S142 WeakPolarHBondContact CG1-O 3.11Å; K140-S142 PolarHBondContact O-N 2.94Å; K140-S142 VanDerWaalsContact O-N 3.15Å
143T61Low74.7Confident82 Ų82102.9 Ų102.950%0.50351%0.513SS..  trans-79.5132.116352.60000107.6L141 Q145L141-T143 PolarHBondContact O-N 3.17Å; T143-Q145 PolarHBondContact O-N 2.94Å
144P55.6Low73.3Confident80 Ų80102.9 Ų102.952%0.51951%0.51SS..  trans-69.299.7175.725.8-25.2000107.8V58 K146V58-P144 HydrophobicContact CB-CG 4.22Å; V58-P144 HydrophobicContact CG2-CB 3.41Å; V58-P144 VanDerWaalsContact CG2-CB 3.41Å; V58-P144 HydrophobicContact CG2-CG 3.36Å; P144-K146 PolarHBondContact O-N 3.49Å; P144-K146 VanDerWaalsContact O-N 3.08Å
145Q52.5Low71.9Confident163 Ų163104.5 Ų104.576%0.76252%0.522SS*.  trans-66.5111.1167.8-66.1-155.9-2000107.8T143 K147T143-Q145 PolarHBondContact O-N 2.94Å; Q145-K147 PolarHBondContact O-N 3.41Å
146K45.8Very low70.2Confident207 Ų207113.3 Ų113.390%0.957%0.566SS**  trans-61.4106.7164.7-90.7-171.9169.1179.10107.1P144P144-K146 PolarHBondContact O-N 3.49Å; P144-K146 VanDerWaalsContact O-N 3.08Å
147K42.8Very low68.5Low273 Ų273110.8 Ų110.8100%1.18757%0.569SS**  trans-78.40160.2-74.4-170.9173.2-174.30110Q145Q145-K147 PolarHBondContact O-N 3.41Å

Retrieved 147 of 147 residues in 1166.6 ms (Link to these results)