A0A3B3UTS6_9TELE Loading...

Mitochondrial import inner membrane translocase subunit TIM23

Essential component of the TIM23 complex, a complex that mediates the translocation of transit peptide-containing proteins across the mitochondrial inner membrane.

AlphaFold DB , UniProt , Accession A0A3B3UTS6, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 211 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
1M37.2Very low37.7Very low227 Ų227137.2 Ų137.2100%1.11885%0.851SS**  0102.20-77.1153.5165.200107.4
2D37.9Very low38Very low151 Ų151143.6 Ų143.681%0.80786%0.858SS**  trans63.999.3137.5-40.3-37.5000122.1
3N42.8Very low38.3Very low162 Ų162138.8 Ų138.887%0.86686%0.857SS**  44.8134.1114-132.9-11000123.9
4N42.6Very low38.4Very low134 Ų134134.4 Ų134.472%0.71785%0.853SS**  trans99.3111.8141.3-154.714.1000121
5S40.3Very low39.2Very low117 Ų117138.5 Ų138.582%0.81886%0.864SS**  -164.4103.3127.844.70000112.8
6Q39Very low39.8Very low184 Ų184135 Ų13586%0.8686%0.863SS**  44.898.3130-148.3162.18800121.3
7G32.6Very low40.2Very low80 Ų80131.7 Ų131.783%0.82586%0.86SS**  61.691.1115.800000120.7
8S34.4Very low41.1Very low123 Ų123133.1 Ų133.186%0.8686%0.858SS**  trans-100.5106.1162.7163.70000110.5G10S8-G10 PolarHBondContact O-N 3.42Å
9G34.5Very low41.6Very low79 Ų79137.1 Ų137.181%0.81486%0.861SS**  trans-84.2103.9170.800000111.6
10G36.8Very low41.4Very low71 Ų71134.3 Ų134.373%0.73286%0.859SS**  trans-90.8120.2170.900000111.6S8S8-G10 PolarHBondContact O-N 3.42Å
11L36.9Very low41.4Very low181 Ų181131.6 Ų131.695%0.94886%0.857SS**  trans-77117.6167.6-97.480000109.8
12K41.4Very low41.6Very low214 Ų214125.1 Ų125.193%0.9385%0.848SS**  trans-150.6122.8166.7-151.9-179-175.9-173.80111.1
13G40.9Very low41.8Very low82 Ų82121.8 Ų121.885%0.84585%0.849SS**  trans113.1132.8168.900000113.1
14G40.7Very low41.7Very low77 Ų77118.8 Ų118.879%0.79485%0.847SS**  cis-170.8137.2-0.700000108.5G16G14-G16 PolarHBondContact O-N 3.01Å
15L50.3Low42Very low196 Ų196117.3 Ų117.3100%1.02685%0.845SS**  trans-77.1104.1166.9-86.7142.2000107.8
16G48.4Very low42Very low82 Ų82121 Ų12185%0.84585%0.849SS**  trans-168.868.3-178.900000112.3G14G14-G16 PolarHBondContact O-N 3.01Å
17G46.1Very low42.2Very low79 Ų79121.8 Ų121.881%0.81485%0.846SS**  trans-160.428.5179.200000114.9
18L56.2Low42.6Very low157 Ų157123 Ų12382%0.82284%0.842SS**SBendtrans-107.5-7.4-176.6-149.275.8000115.1
19F50.7Low43.2Very low209 Ų209124.7 Ų124.792%0.91784%0.841SS**  trans-151.398.2172.6-89.8-86.9000109.7
20G38.1Very low44Very low80 Ų80125.2 Ų125.283%0.82583%0.832SS**  trans-129.493.3170.700000108.6
21G40.8Very low44.7Very low79 Ų79130.1 Ų130.181%0.81484%0.836SS**  trans-64.1141.7176.300000111.6
22G41.5Very low45.4Very low90 Ų90130.1 Ų130.193%0.92884%0.836SS**  trans-66.5135.1175.100000111.9
23G42.9Very low46Very low81 Ų81124.3 Ų124.384%0.83583%0.828SS**  trans-15791.9174.100000110.7
24A41.2Very low46.5Very low99 Ų99124.6 Ų124.682%0.81883%0.831SS**  trans-167.7151.4157.300000107.6
25P47.8Very low46.9Very low103 Ų103125.8 Ų125.867%0.66982%0.823SS**  cis-128.3157.21.337.7-21000113.7Y27P25-Y27 HydrophobicContact CB-CD2 4.1Å; P25-Y27 HydrophobicContact CB-CE2 4.02Å
26E40.8Very low46.6Very low196 Ų196122.2 Ų122.292%0.91681%0.812SS**  trans-117.1108.8166-115.1177.8128.700109.3
27Y42.5Very low46.7Very low199 Ų199124.4 Ų124.478%0.7880%0.803SS**  trans-121.2102.5166.9-69.3-76000108P25 N29P25-Y27 HydrophobicContact CB-CD2 4.1Å; P25-Y27 HydrophobicContact CB-CE2 4.02Å; Y27-N29 PolarHBondContact O-N 3.12Å; Y27-N29 PolarHBondContact O-ND2 3.31Å
28S41.5Very low46.8Very low107 Ų107127.2 Ų127.275%0.74881%0.805SS**  trans-78.6112.1176.2-1470000109.2S30S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact OG-OG 3.48Å; S28-S30 VanDerWaalsContact OG-OG 3.11Å
29N47.4Very low46.7Very low158 Ų158123.4 Ų123.485%0.84580%0.803SS**  trans-97.132.8178-64.9-79000112Y27Y27-N29 PolarHBondContact O-N 3.12Å; Y27-N29 PolarHBondContact O-ND2 3.31Å
30S51.8Low46.7Very low90 Ų90121 Ų12163%0.62980%0.797SS**SBendtrans-100.5-6-170.848.30000114.6S28S28-S30 VanDerWaalsContact C-N 3.32Å; S28-S30 PolarHBondContact OG-OG 3.48Å; S28-S30 VanDerWaalsContact OG-OG 3.11Å
31E50.8Low47.6Very low174 Ų174122.3 Ų122.381%0.81379%0.793SS**  trans-143.884.6-175.3-66.2-166.9116.200112.4
32L51Low48.1Very low180 Ų180124.6 Ų124.694%0.94279%0.794SS**SBendtrans-145.6100.3153.7-145.168.9000109.5
33A53.8Low48.7Very low92 Ų92125.2 Ų125.276%0.7678%0.775SS**SBendtrans84.864.4177.800000117.9V35A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.23Å
34G52.2Low49.1Very low89 Ų89124.9 Ų124.992%0.91876%0.76SS**SBend53.316.8125.600000121.9
35V49.4Very low49.8Very low102 Ų102126 Ų12662%0.61876%0.759SS**  trans-137127.1176.3-178.30000109A33 L37A33-V35 VanDerWaalsContact C-N 3.3Å; A33-V35 PolarHBondContact O-N 3.23Å; V35-L37 HydrophobicContact CB-CD1 4.33Å; V35-L37 HydrophobicContact CG1-CD1 4.25Å; V35-L37 PolarHBondContact O-N 3.21Å
36P43.3Very low49.8Very low121 Ų121132 Ų13279%0.78677%0.77SS**  trans-74.197.2179.729.3-31.4000110T38P36-T38 PolarHBondContact O-N 3.46Å
37L50.1Low50.5Low128 Ų128127.8 Ų127.867%0.6775%0.753SS**  trans-86.279.6169.6-87.3103.7000110.4V35 G39 M40V35-L37 HydrophobicContact CB-CD1 4.33Å; V35-L37 HydrophobicContact CG1-CD1 4.25Å; V35-L37 PolarHBondContact O-N 3.21Å; L37-G39 PolarHBondContact O-N 3.19Å; L37-G39 VanDerWaalsContact O-N 3.15Å; L37-M40 WeakPolarHBondContact CD2-O 3.5Å
38T49.8Very low51.1Low138 Ų138126.3 Ų126.385%0.84776%0.759SS**  trans-69.2104157.957.40000108.3P36P36-T38 PolarHBondContact O-N 3.46Å
39G54.2Low51.8Low77 Ų77124.8 Ų124.879%0.79475%0.745SS**SBendtrans96.125.7153.300000119.3L37L37-G39 PolarHBondContact O-N 3.19Å; L37-G39 VanDerWaalsContact O-N 3.15Å
40M50.6Low52.1Low158 Ų158120.8 Ų120.878%0.77872%0.723SS**  trans-152.1103.2169-132.8162.5-173.700112.9L37L37-M40 WeakPolarHBondContact CD2-O 3.5Å
41S55.6Low52.2Low107 Ų107119.3 Ų119.375%0.74871%0.712SS**  trans-66.3131.3168.6-61.20000109.9L43S41-L43 PolarHBondContact O-N 3.49Å
42P51.4Low52.3Low128 Ų128120.4 Ų120.483%0.83171%0.708SS**  trans-73.899175.529.1-31.5000109.4S44P42-S44 PolarHBondContact O-N 3.35Å
43L55.1Low52.4Low102 Ų102118.3 Ų118.353%0.53469%0.692SS.*  trans-70.1123.8177.1-145.870.6000109.3S41 P51S41-L43 PolarHBondContact O-N 3.49Å; L43-P51 HydrophobicContact CD1-CG 3.98Å
44S50.5Low52.4Low74 Ų74120.8 Ų120.852%0.51769%0.692SS.*  trans-76133.7-178.745.50000111.7P42 Y46 L47P42-S44 PolarHBondContact O-N 3.35Å; S44-Y46 PolarHBondContact O-N 2.97Å; S44-L47 PolarHBondContact O-N 2.66Å; S44-L47 VanDerWaalsContact O-N 3.1Å
45P56.8Low52.3Low122 Ų122122 Ų12279%0.79268%0.681SS**THydrogen-bonded Turntrans-74.132-170.829.1-36.8000116.1
46Y47.8Very low52.1Low231 Ų231122.2 Ų122.291%0.90668%0.675SS**THydrogen-bonded Turntrans-140.34.7166.7-70.4-72.1000113.1S44S44-Y46 PolarHBondContact O-N 2.97Å
47L54.8Low52.2Low106 Ų106123.9 Ų123.956%0.55568%0.677SS**  trans-96.792171.7-15275.7000108.1S44 V49S44-L47 PolarHBondContact O-N 2.66Å; S44-L47 VanDerWaalsContact O-N 3.1Å; L47-V49 PolarHBondContact O-N 2.95Å
48N55.8Low52Low168 Ų168121.8 Ų121.890%0.89867%0.67SS**  trans-74.429.4177.9-155.691.2000112.6
49V55.3Low51.8Low75 Ų75122.2 Ų122.246%0.45567%0.667SS.*  trans-117.7105.6-179.8-172.50000107.2L47L47-V49 PolarHBondContact O-N 2.95Å
50D54.2Low51.4Low74 Ų74125.2 Ų125.240%0.39666%0.66SS.*  trans-63124.3173.8-172.4-12.4000108.4R52 F53D50-R52 PolarHBondContact O-N 3.37Å; D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; D50-R52 PolarHBondContact OD1-N 3.04Å; D50-F53 HydrophobicContact CB-CD2 3.81Å; D50-F53 HydrophobicContact CB-CE2 3.94Å; D50-F53 PolarHBondContact O-N 3.46Å
51P55Low51.1Low59 Ų59123.5 Ų123.538%0.38365%0.649SS.*G310 helixtrans-60.2-11.7-178.422.5-33000113.2L43 F53 L54 V55L43-P51 HydrophobicContact CD1-CG 3.98Å; P51-F53 PolarHBondContact O-N 3.13Å; P51-L54 PolarHBondContact O-N 3Å; P51-L54 VanDerWaalsContact O-N 3.13Å; P51-V55 PolarHBondContact O-N 2.96Å
52R52.6Low50.7Low197 Ų197124.6 Ų124.674%0.74365%0.645SS**G310 helixtrans-64.8-21.4169.5-63.8-176.667145.22.7114.3D50D50-R52 PolarHBondContact O-N 3.37Å; D50-R52 WeakPolarHBondContact OD1-CG 3.15Å; D50-R52 PolarHBondContact OD1-N 3.04Å
53F52.4Low50.3Low137 Ų137122.6 Ų122.660%0.60163%0.627SS**G310 helixtrans-83.5-12.7172.9-66.5-71.3000113.3D50 P51D50-F53 HydrophobicContact CB-CD2 3.81Å; D50-F53 HydrophobicContact CB-CE2 3.94Å; D50-F53 PolarHBondContact O-N 3.46Å; P51-F53 PolarHBondContact O-N 3.13Å
54L53.3Low49.9Very low144 Ų144122.9 Ų122.975%0.75464%0.635SS**THydrogen-bonded Turntrans-90.9-13.1170.1-64.1170.3000112P51 Q56P51-L54 PolarHBondContact O-N 3Å; P51-L54 VanDerWaalsContact O-N 3.13Å; L54-Q56 VanDerWaalsContact C-N 3.3Å
55V49.6Very low49.7Very low113 Ų113126.7 Ų126.769%0.68566%0.655SS**  trans-10035.4169.9-166.90000109.9P51 D57P51-V55 PolarHBondContact O-N 2.96Å; V55-D57 PolarHBondContact O-N 3.39Å; V55-D57 VanDerWaalsContact O-N 3.16Å
56Q45.3Very low49.3Very low107 Ų107124.8 Ų124.850%0.566%0.657SS.*  trans-78.784.7153.7-91.2-177.5-105.600107.2L54 T58L54-Q56 VanDerWaalsContact C-N 3.3Å; Q56-T58 PolarHBondContact O-N 3.4Å
57D45.7Very low49.1Very low156 Ų156117 Ų11783%0.83464%0.641SS**  trans-70.248160.8-144.1-53.5000109.8V55V55-D57 PolarHBondContact O-N 3.39Å; V55-D57 VanDerWaalsContact O-N 3.16Å
58T46.4Very low48.5Very low84 Ų84117.9 Ų117.952%0.51565%0.646SS.*  trans-130.291.1165.254.30000102.8Q56 E60Q56-T58 PolarHBondContact O-N 3.4Å; T58-E60 PolarHBondContact O-N 3.18Å
59D45.9Very low48Very low148 Ų148118.1 Ų118.179%0.79164%0.639SS**  trans-53.579.2154-87.5-44000107.2F61D59-F61 HydrophobicContact CB-CD2 4.43Å; D59-F61 PolarHBondContact O-N 3.49Å
60E45.3Very low47.6Very low139 Ų139118.2 Ų118.265%0.6564%0.64SS**  trans-73.972.8169-159.7176.5172.800105.1T58 I62T58-E60 PolarHBondContact O-N 3.18Å; E60-I62 HydrophobicContact CG-CD1 4.47Å; E60-I62 HydrophobicContact CG-CG1 3.96Å; E60-I62 PolarHBondContact O-N 3.45Å
61F43.9Very low47.3Very low122 Ų122126 Ų12654%0.53566%0.664SS.*  trans-62.781.3159.7-105.5-86.2000106.6D59 L63D59-F61 HydrophobicContact CB-CD2 4.43Å; D59-F61 PolarHBondContact O-N 3.49Å; F61-L63 HydrophobicContact CB-CD1 4.2Å; F61-L63 HydrophobicContact CB-CG 4.21Å; F61-L63 HydrophobicContact CD1-CD2 4.02Å; F61-L63 HydrophobicContact CD1-CG 3.95Å; F61-L63 PolarHBondContact O-N 2.99Å
62I48.3Very low47Very low131 Ų131125.2 Ų125.267%0.67267%0.666SS**  trans-67.481.6153.1-52.7178.4000104.8E60 P64E60-I62 HydrophobicContact CG-CD1 4.47Å; E60-I62 HydrophobicContact CG-CG1 3.96Å; E60-I62 PolarHBondContact O-N 3.45Å; I62-P64 WeakPolarHBondContact O-CD 3.39Å
63L42.9Very low47Very low86 Ų86122.2 Ų122.245%0.4566%0.655SS.*  trans-62116.6165.1-65.9131.4000105.3F61 T65 A67F61-L63 HydrophobicContact CB-CD1 4.2Å; F61-L63 HydrophobicContact CB-CG 4.21Å; F61-L63 HydrophobicContact CD1-CD2 4.02Å; F61-L63 HydrophobicContact CD1-CG 3.95Å; F61-L63 PolarHBondContact O-N 2.99Å; L63-T65 PolarHBondContact O-N 3.03Å; L63-A67 WeakPolarHBondContact CD2-O 3.17Å
64P47Very low46.9Very low108 Ų108124.6 Ų124.670%0.70167%0.665SS**  trans-52.6116.7161.3-18.832.4000106.1I62 G66I62-P64 WeakPolarHBondContact O-CD 3.39Å; P64-G66 PolarHBondContact O-N 2.94Å
65T45.3Very low47Very low154 Ų154124.8 Ų124.895%0.94566%0.662SS**THydrogen-bonded Turntrans-2297.3174-44.40000112.3L63L63-T65 PolarHBondContact O-N 3.03Å
66G47.7Very low47.4Very low81 Ų81125.2 Ų125.284%0.83566%0.66SS**THydrogen-bonded Turntrans129.9-3.6166.300000119.8P64P64-G66 PolarHBondContact O-N 2.94Å
67A44.8Very low47.9Very low69 Ų69121.3 Ų121.357%0.5765%0.647SS**  trans-110.279.5-179.500000112.6L63 K69L63-A67 WeakPolarHBondContact CD2-O 3.17Å; A67-K69 PolarHBondContact O-N 3.47Å
68N41.9Very low48.8Very low123 Ų123121.8 Ų121.866%0.65864%0.642SS**  trans-59.6118.2171-174.1-3.9000110.3T70N68-T70 PolarHBondContact ND2-OG1 2.88Å; N68-T70 PolarHBondContact O-N 2.76Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.38Å; N68-T70 PolarHBondContact OD1-N 3.38Å; N68-T70 PolarHBondContact OD1-OG1 3.45Å; N68-T70 VanDerWaalsContact OD1-OG1 3.09Å
69K46Very low49.8Very low173 Ų173125.7 Ų125.775%0.75265%0.652SS**SBendtrans-77.934.9176.4-161.9159.9178.9177.20112.3A67A67-K69 PolarHBondContact O-N 3.47Å
70T47Very low50.8Low78 Ų78121.8 Ų121.848%0.47963%0.633SS.*SBendtrans-109.6119.7162.661.40000106.6N68 G72N68-T70 PolarHBondContact ND2-OG1 2.88Å; N68-T70 PolarHBondContact O-N 2.76Å; N68-T70 WeakPolarHBondContact OD1-CG2 3.38Å; N68-T70 PolarHBondContact OD1-N 3.38Å; N68-T70 PolarHBondContact OD1-OG1 3.45Å; N68-T70 VanDerWaalsContact OD1-OG1 3.09Å; T70-G72 PolarHBondContact O-N 2.88Å; T70-G72 VanDerWaalsContact O-N 3.09Å
71R47.9Very low52.2Low238 Ų238116.8 Ų116.890%0.89861%0.611SS**  trans-41.5124.4163.4-78179.7145.9166-6108.2R73R71-R73 PolarHBondContact O-N 3.41Å
72G46.8Very low53.5Low41 Ų41112.5 Ų112.542%0.42360%0.601SS.*  trans-47.8130-16700000110.7T70 F74 E75T70-G72 PolarHBondContact O-N 2.88Å; T70-G72 VanDerWaalsContact O-N 3.09Å; G72-F74 PolarHBondContact O-N 3.48Å; G72-E75 WeakPolarHBondContact O-CA 3.48Å; G72-E75 VanDerWaalsContact O-CB 3.27Å; G72-E75 WeakPolarHBondContact O-CB 3.37Å; G72-E75 PolarHBondContact O-N 3.05Å
73R54.3Low55Low134 Ų134107.7 Ų107.751%0.50658%0.583SS.*Hα-helixtrans-57.4-15.4177.2-110.6155.8138.4174.8-0.6114.3R71 L76 A77 E147R71-R73 PolarHBondContact O-N 3.41Å; R73-L76 PolarHBondContact O-N 2.86Å; R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.48Å; R73-E147 IonicContact CZ-OE1 2.84Å; R73-E147 IonicContact CZ-OE2 3.04Å; R73-E147 IonicContact NE-OE2 2.89Å; R73-E147 IonicContact NH1-OE1 3.91Å; R73-E147 PolarHBondContact NH1-OE1 3.44Å; R73-E147 IonicContact NH1-OE2 2.6Å; R73-E147 PolarHBondContact NH1-OE2 3.5Å; R73-E147 IonicContact NH2-OE1 2.59Å; R73-E147 PolarHBondContact NH2-OE1 3.42Å; R73-E147 IonicContact NH2-OE2 2.69Å; R73-E147 PolarHBondContact NH2-OE2 3.4Å
74F50.5Low56.5Low187 Ų187104.7 Ų104.782%0.8257%0.57SS**Hα-helixtrans-61.2-39.4164.8-91.1-85.5000112.8G72 F78G72-F74 PolarHBondContact O-N 3.48Å; F74-F78 WeakPolarHBondContact O-CA 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.33Å; F74-F78 PolarHBondContact O-N 2.83Å
75E53.7Low58Low148 Ų148101.8 Ų101.869%0.69255%0.551SS**Hα-helixtrans-65.4-45174.4-67.6-80.6136.800111G72 F79G72-E75 WeakPolarHBondContact O-CA 3.48Å; G72-E75 VanDerWaalsContact O-CB 3.27Å; G72-E75 WeakPolarHBondContact O-CB 3.37Å; G72-E75 PolarHBondContact O-N 3.05Å; E75-F79 VanDerWaalsContact O-CB 3.28Å; E75-F79 WeakPolarHBondContact O-CB 3.47Å; E75-F79 PolarHBondContact O-N 3.12Å
76L57.7Low59.7Low122 Ų122101.2 Ų101.264%0.63954%0.54SS*.Hα-helixtrans-69.9-41.2-179.6-146.681.8000112R73 T80R73-L76 PolarHBondContact O-N 2.86Å; L76-T80 WeakPolarHBondContact O-CB 3.27Å; L76-T80 PolarHBondContact O-N 3.38Å; L76-T80 PolarHBondContact O-OG1 2.86Å
77A57.2Low61.3Low26 Ų26101.2 Ų101.222%0.21552%0.524CS..Hα-helixtrans-68.6-44.917500000111.3R73 F79 T80 I81R73-A77 WeakPolarHBondContact O-CB 3.34Å; R73-A77 PolarHBondContact O-N 3.48Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 2.95Å; A77-T80 CarbonylContact O-C 3.59Å; A77-T80 PolarHBondContact O-N 3.39Å; A77-T80 VanDerWaalsContact O-N 3.1Å; A77-I81 HydrophobicContact CB-CD1 4.21Å; A77-I81 WeakPolarHBondContact O-CB 3.42Å; A77-I81 VanDerWaalsContact O-CD1 3.23Å; A77-I81 WeakPolarHBondContact O-CD1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.4Å; A77-I81 PolarHBondContact O-N 3.32Å
78F63.8Low63Low166 Ų16698 Ų9873%0.72850%0.497SS*.Hα-helixtrans-63.8-38.3179.3-164.8-95.6000111.6F74 G82F74-F78 WeakPolarHBondContact O-CA 3.23Å; F74-F78 WeakPolarHBondContact O-CB 3.33Å; F74-F78 PolarHBondContact O-N 2.83Å; F78-G82 WeakPolarHBondContact O-CA 3.05Å; F78-G82 PolarHBondContact O-N 3.19Å
79F67.2Low65Low165 Ų16593.7 Ų93.772%0.72448%0.479SS*.Hα-helixtrans-64.5-41.3171.2-175.9-98.5000112.3E75 A77 G83E75-F79 VanDerWaalsContact O-CB 3.28Å; E75-F79 WeakPolarHBondContact O-CB 3.47Å; E75-F79 PolarHBondContact O-N 3.12Å; A77-F79 VanDerWaalsContact C-N 3.32Å; A77-F79 PolarHBondContact O-N 2.95Å; F79-G83 WeakPolarHBondContact O-CA 3.47Å; F79-G83 PolarHBondContact O-N 3.44Å
80T68Low66.8Low67 Ų6788.7 Ų88.741%0.41147%0.465SS..Hα-helixtrans-69.4-42.3179.2-56.50000112L76 A77 S84L76-T80 WeakPolarHBondContact O-CB 3.27Å; L76-T80 PolarHBondContact O-N 3.38Å; L76-T80 PolarHBondContact O-OG1 2.86Å; A77-T80 CarbonylContact O-C 3.59Å; A77-T80 PolarHBondContact O-N 3.39Å; A77-T80 VanDerWaalsContact O-N 3.1Å; T80-S84 VanDerWaalsContact O-CB 3.31Å; T80-S84 WeakPolarHBondContact O-CB 3.37Å; T80-S84 PolarHBondContact O-N 3.3Å; T80-S84 PolarHBondContact O-OG 3.44Å
81I73.4Confident68.6Low33 Ų3389.4 Ų89.417%0.16947%0.466CS..Hα-helixtrans-66.6-48.9176.3-64.9154.8000109.4A77 G83 S84 C85 L137A77-I81 HydrophobicContact CB-CD1 4.21Å; A77-I81 WeakPolarHBondContact O-CB 3.42Å; A77-I81 VanDerWaalsContact O-CD1 3.23Å; A77-I81 WeakPolarHBondContact O-CD1 3.31Å; A77-I81 WeakPolarHBondContact O-CG1 3.4Å; A77-I81 PolarHBondContact O-N 3.32Å; I81-G83 PolarHBondContact O-N 3.19Å; I81-S84 PolarHBondContact O-N 2.85Å; I81-S84 PolarHBondContact O-OG 2.9Å; I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 3.2Å; I81-L137 HydrophobicContact CD1-CD2 3.47Å; I81-L137 VanDerWaalsContact CD1-CD2 3.47Å; I81-L137 HydrophobicContact CD1-CG 4.34Å; I81-L137 HydrophobicContact CG1-CD2 3.96Å; I81-L137 HydrophobicContact CG1-CG 4.3Å; I81-L137 HydrophobicContact CG2-CD2 3.92Å; I81-L137 HydrophobicContact CG2-CG 3.87Å
82G72.9Confident70.3Confident32 Ų3278.1 Ų78.133%0.3342%0.423SS..Hα-helixtrans-59.2-44.8176.100000112.2F78 C85 M86F78-G82 WeakPolarHBondContact O-CA 3.05Å; F78-G82 PolarHBondContact O-N 3.19Å; G82-C85 PolarHBondContact O-N 3.02Å; G82-M86 WeakPolarHBondContact O-CB 2.96Å; G82-M86 WeakPolarHBondContact O-CG 3.35Å; G82-M86 PolarHBondContact O-N 2.96Å
83G78.6Confident72.1Confident30 Ų3077.6 Ų77.631%0.30942%0.415SS..Hα-helixtrans-64.1-42176.600000112.9F79 I81 C85 M86 T87F79-G83 WeakPolarHBondContact O-CA 3.47Å; F79-G83 PolarHBondContact O-N 3.44Å; I81-G83 PolarHBondContact O-N 3.19Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.39Å; G83-M86 PolarHBondContact O-N 3.07Å; G83-T87 WeakPolarHBondContact O-CB 3.33Å; G83-T87 VanDerWaalsContact O-CG2 3.29Å; G83-T87 WeakPolarHBondContact O-CG2 3.42Å; G83-T87 PolarHBondContact O-N 2.82Å; G83-T87 PolarHBondContact O-OG1 3.29Å
84S75.3Confident73.6Confident23 Ų2376.1 Ų76.116%0.16142%0.417CS..Hα-helixtrans-65-36.6174.775.40000112.6T80 I81 T87 G88 A136T80-S84 VanDerWaalsContact O-CB 3.31Å; T80-S84 WeakPolarHBondContact O-CB 3.37Å; T80-S84 PolarHBondContact O-N 3.3Å; T80-S84 PolarHBondContact O-OG 3.44Å; I81-S84 PolarHBondContact O-N 2.85Å; I81-S84 PolarHBondContact O-OG 2.9Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 PolarHBondContact O-OG1 2.81Å; S84-G88 PolarHBondContact O-N 3.2Å; S84-A136 WeakPolarHBondContact OG-CB 3.36Å
85C78.6Confident75.2Confident47 Ų4770.5 Ų70.532%0.31840%0.395SS..Hα-helixtrans-70.7-44.7177.8-169.20000110.8I81 G82 G83 G88 A89I81-C85 WeakPolarHBondContact O-CB 3.34Å; I81-C85 PolarHBondContact O-N 3.2Å; G82-C85 PolarHBondContact O-N 3.02Å; G83-C85 VanDerWaalsContact C-N 3.33Å; G83-C85 PolarHBondContact O-N 3.39Å; C85-G88 PolarHBondContact O-N 3.04Å; C85-A89 VanDerWaalsContact O-CB 3.27Å; C85-A89 WeakPolarHBondContact O-CB 3.12Å; C85-A89 PolarHBondContact O-N 3.3Å
86M81.1Confident76.6Confident143 Ų14363.5 Ų63.570%0.70436%0.363SS*.Hα-helixtrans-63-44.3175.7-80.7-175.4156.800112.2G82 G83 A89 S90G82-M86 WeakPolarHBondContact O-CB 2.96Å; G82-M86 WeakPolarHBondContact O-CG 3.35Å; G82-M86 PolarHBondContact O-N 2.96Å; G83-M86 PolarHBondContact O-N 3.07Å; M86-A89 PolarHBondContact O-N 2.87Å; M86-S90 WeakPolarHBondContact O-CB 3.32Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 2.9Å
87T81.6Confident77.8Confident81 Ų8160.9 Ų60.950%0.49735%0.349SS..Hα-helixtrans-66.1-40.6176.250.40000111.6G83 S84 S90 L91G83-T87 WeakPolarHBondContact O-CB 3.33Å; G83-T87 VanDerWaalsContact O-CG2 3.29Å; G83-T87 WeakPolarHBondContact O-CG2 3.42Å; G83-T87 PolarHBondContact O-N 2.82Å; G83-T87 PolarHBondContact O-OG1 3.29Å; S84-T87 WeakPolarHBondContact CA-OG1 3.44Å; S84-T87 PolarHBondContact O-OG1 2.81Å; T87-S90 WeakPolarHBondContact O-CB 3.3Å; T87-S90 PolarHBondContact O-N 3.08Å; T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.43Å
88G80.3Confident78.9Confident0 Ų068.6 Ų68.60%037%0.372CS..Hα-helixtrans-64-40.7173.800000113.8S84 C85 G92S84-G88 PolarHBondContact O-N 3.2Å; C85-G88 PolarHBondContact O-N 3.04Å; G88-G92 PolarHBondContact O-N 3.24Å
89A82.7Confident79.7Confident34 Ų3466.2 Ų66.228%0.28137%0.365SS..Hα-helixtrans-63.7-41.9173.300000111.1C85 M86 A93 A129C85-A89 VanDerWaalsContact O-CB 3.27Å; C85-A89 WeakPolarHBondContact O-CB 3.12Å; C85-A89 PolarHBondContact O-N 3.3Å; M86-A89 PolarHBondContact O-N 2.87Å; A89-A93 WeakPolarHBondContact O-CB 3.24Å; A89-A93 PolarHBondContact O-N 2.9Å; A89-A129 HydrophobicContact CB-CB 3.94Å
90S85.1Confident80.1Confident67 Ų6758.4 Ų58.447%0.46933%0.331SS..Hα-helixtrans-62.6-50.7179-56.20000111.6M86 T87 A93 L94M86-S90 WeakPolarHBondContact O-CB 3.32Å; M86-S90 PolarHBondContact O-N 3.49Å; M86-S90 PolarHBondContact O-OG 2.9Å; T87-S90 WeakPolarHBondContact O-CB 3.3Å; T87-S90 PolarHBondContact O-N 3.08Å; S90-A93 PolarHBondContact O-N 3.43Å; S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 2.7Å
91L84.3Confident80.6Confident94 Ų9459.2 Ų59.249%0.49233%0.333SS..Hα-helixtrans-68-38.7178.9-67174.7000112.2T87 N95T87-L91 WeakPolarHBondContact O-CG 3.45Å; T87-L91 PolarHBondContact O-N 3.43Å; L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 VanDerWaalsContact O-N 3.1Å; L91-N95 PolarHBondContact O-ND2 3.01Å
92G82.6Confident80.7Confident0 Ų065.5 Ų65.50%036%0.359CS..Hα-helixtrans-66.4-39.5175.400000112.7G88 G96 Q124G88-G92 PolarHBondContact O-N 3.24Å; G92-G96 PolarHBondContact O-N 2.88Å; G92-Q124 WeakPolarHBondContact O-CG 3.41Å
93A85.1Confident80.7Confident30 Ų3070.1 Ų70.125%0.24837%0.372CS..Hα-helixtrans-67.2-42.6176.200000111.7A89 S90 G96 L97 V121A89-A93 WeakPolarHBondContact O-CB 3.24Å; A89-A93 PolarHBondContact O-N 2.9Å; S90-A93 PolarHBondContact O-N 3.43Å; A93-G96 PolarHBondContact O-N 2.81Å; A93-L97 VanDerWaalsContact O-CB 3.23Å; A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 PolarHBondContact O-N 3.23Å; A93-V121 HydrophobicContact CB-CG1 3.8Å
94L86.5Confident80.1Confident104 Ų10468.8 Ų68.855%0.54536%0.358SS..Hα-helixtrans-63.3-43.3176.5-71.9172.4000112.2S90 L97 R98S90-L94 VanDerWaalsContact O-CG 3.3Å; S90-L94 WeakPolarHBondContact O-CG 3.35Å; S90-L94 PolarHBondContact O-N 2.7Å; L94-L97 PolarHBondContact O-N 3.26Å; L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.01Å
95N83.3Confident79.6Confident69 Ų6976.4 Ų76.437%0.36938%0.383SS..Hα-helixtrans-68.7-40.6176.1-79.8-77.1000111.9L91 L97 R98 M99L91-N95 PolarHBondContact O-N 2.95Å; L91-N95 VanDerWaalsContact O-N 3.1Å; L91-N95 PolarHBondContact O-ND2 3.01Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.67Å; N95-R98 PolarHBondContact O-N 3Å; N95-M99 PolarHBondContact O-N 3.16Å
96G82.7Confident78.8Confident1 Ų180.8 Ų80.81%0.0140%0.403CS..Hα-helixtrans-63.4-34.3173.900000112.9G92 A93 G100G92-G96 PolarHBondContact O-N 2.88Å; A93-G96 PolarHBondContact O-N 2.81Å; G96-G100 PolarHBondContact O-N 3.33Å
97L83.4Confident77.9Confident67 Ų6777.6 Ų77.635%0.35139%0.388SS..Hα-helixtrans-70.3-43.2175.6-175.464.3000110.9A93 L94 N95 G100 L101 I117 V121A93-L97 VanDerWaalsContact O-CB 3.23Å; A93-L97 WeakPolarHBondContact O-CB 3.34Å; A93-L97 PolarHBondContact O-N 3.23Å; L94-L97 PolarHBondContact O-N 3.26Å; N95-L97 VanDerWaalsContact C-N 3.3Å; N95-L97 PolarHBondContact O-N 2.67Å; L97-G100 PolarHBondContact O-N 2.91Å; L97-L101 HydrophobicContact CD1-CD1 4.16Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.37Å; L97-I117 HydrophobicContact CD1-CG2 3.6Å; L97-V121 VanDerWaalsContact CA-CG2 3.44Å; L97-V121 HydrophobicContact CB-CG2 3.66Å; L97-V121 HydrophobicContact CD1-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.32Å
98R81.4Confident76.9Confident187 Ų18777.8 Ų77.871%0.70640%0.397SS*.Hα-helixtrans-61.1-45.2175.6-75.5-178.5179.8-176.90.7112L94 N95 K102L94-R98 WeakPolarHBondContact O-CG 3.2Å; L94-R98 PolarHBondContact O-N 3.01Å; N95-R98 PolarHBondContact O-N 3Å; R98-K102 WeakPolarHBondContact O-CB 3.17Å; R98-K102 PolarHBondContact O-N 3.15Å; R98-K102 VanDerWaalsContact O-N 3.1Å
99M79.1Confident75.9Confident116 Ų11687.8 Ų87.857%0.57144%0.435SS*.Hα-helixtrans-66.6-44.6175.1-76.9172.6101.400111.5N95 L101 K102 E103N95-M99 PolarHBondContact O-N 3.16Å; M99-L101 PolarHBondContact O-N 3.08Å; M99-K102 PolarHBondContact O-N 3.28Å; M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 PolarHBondContact O-N 3.37Å
100G76.7Confident75.2Confident2 Ų289.3 Ų89.32%0.02144%0.444CS..Hα-helixtrans-61.7-39.7178.300000113.3G96 L97 T104G96-G100 PolarHBondContact O-N 3.33Å; L97-G100 PolarHBondContact O-N 2.91Å; G100-T104 WeakPolarHBondContact O-CB 3.43Å; G100-T104 WeakPolarHBondContact O-CG2 3.28Å; G100-T104 PolarHBondContact O-N 3.12Å; G100-T104 PolarHBondContact O-OG1 3.49Å
101L77.1Confident74.4Confident84 Ų8494.9 Ų94.944%0.4446%0.459SS..Hα-helixtrans-70-36.7175.6-74.3170.6000112.6L97 M99 R105 I117L97-L101 HydrophobicContact CD1-CD1 4.16Å; L97-L101 HydrophobicContact CD1-CG 4.2Å; L97-L101 HydrophobicContact CG-CD1 3.92Å; L97-L101 HydrophobicContact CG-CG 4.38Å; L97-L101 VanDerWaalsContact O-CB 3.31Å; L97-L101 WeakPolarHBondContact O-CB 3.17Å; L97-L101 VanDerWaalsContact O-CG 3.26Å; L97-L101 WeakPolarHBondContact O-CG 3.21Å; L97-L101 PolarHBondContact O-N 3.37Å; M99-L101 PolarHBondContact O-N 3.08Å; L101-R105 PolarHBondContact O-N 2.92Å; L101-I117 HydrophobicContact CD2-CD1 4.01Å
102K77.2Confident74.1Confident164 Ų16494.6 Ų94.671%0.71346%0.463SS*.Hα-helixtrans-68.5-43.7176.2-172.4177.8177.7-176.40111.5R98 M99 R105R98-K102 WeakPolarHBondContact O-CB 3.17Å; R98-K102 PolarHBondContact O-N 3.15Å; R98-K102 VanDerWaalsContact O-N 3.1Å; M99-K102 PolarHBondContact O-N 3.28Å; K102-R105 VanDerWaalsContact O-CB 3.26Å; K102-R105 WeakPolarHBondContact O-CB 3.34Å; K102-R105 PolarHBondContact O-N 3.33Å
103E73Confident73.6Confident130 Ų13096.2 Ų96.261%0.60747%0.469SS*.Hα-helixtrans-72.1-34.5-178.4-162.766.4-167.700112.4M99 R105M99-E103 WeakPolarHBondContact O-CB 3.3Å; M99-E103 PolarHBondContact O-N 3.37Å; E103-R105 VanDerWaalsContact C-N 3.31Å
104T65.9Low73.3Confident2 Ų298.6 Ų98.61%0.01248%0.478CS..THydrogen-bonded Turntrans-88.63.9176.659.70000113.8G100 D106 M107 R113 Q116 I117G100-T104 WeakPolarHBondContact O-CB 3.43Å; G100-T104 WeakPolarHBondContact O-CG2 3.28Å; G100-T104 PolarHBondContact O-N 3.12Å; G100-T104 PolarHBondContact O-OG1 3.49Å; T104-D106 PolarHBondContact O-N 3.28Å; T104-M107 HydrophobicContact CG2-CE 4.09Å; T104-M107 HydrophobicContact CG2-SD 4.21Å; T104-M107 PolarHBondContact O-N 2.82Å; T104-M107 VanDerWaalsContact O-N 3.09Å; T104-R113 HydrophobicContact CG2-CG 4.01Å; T104-R113 PolarHBondContact O-NE 3.03Å; T104-R113 PolarHBondContact O-NH1 2.78Å; T104-R113 PolarHBondContact O-NH2 3.43Å; T104-R113 VanDerWaalsContact O-NH2 3.15Å; T104-R113 PolarHBondContact OG1-NE 3.35Å; T104-Q116 HydrophobicContact CG2-CG 4.44Å; T104-I117 HydrophobicContact CG2-CD1 4.49Å; T104-I117 HydrophobicContact CG2-CG1 3.86Å; T104-I117 WeakPolarHBondContact OG1-CD1 3.49Å; T104-I117 WeakPolarHBondContact OG1-CG1 3Å
105R63.6Low73.2Confident182 Ų18298.4 Ų98.469%0.68748%0.481SS*.THydrogen-bonded Turntrans-59.9-33.2-177.1-166.4176.869.8145.63.5112.7L101 K102 E103 M107L101-R105 PolarHBondContact O-N 2.92Å; K102-R105 VanDerWaalsContact O-CB 3.26Å; K102-R105 WeakPolarHBondContact O-CB 3.34Å; K102-R105 PolarHBondContact O-N 3.33Å; E103-R105 VanDerWaalsContact C-N 3.31Å; R105-M107 VanDerWaalsContact C-N 3.3Å; R105-M107 PolarHBondContact O-N 3.32Å
106D62.5Low73.2Confident139 Ų13999.3 Ų99.374%0.74348%0.483SS*.THydrogen-bonded Turntrans-85.6-1.3-178-58.5-29.7000113T104T104-D106 PolarHBondContact O-N 3.28Å
107M61.2Low73.2Confident77 Ų77100.1 Ų100.138%0.37949%0.487SS..SBendtrans-99.4134.2177.1-58.9178.3-146.500111T104 R105 R113T104-M107 HydrophobicContact CG2-CE 4.09Å; T104-M107 HydrophobicContact CG2-SD 4.21Å; T104-M107 PolarHBondContact O-N 2.82Å; T104-M107 VanDerWaalsContact O-N 3.09Å; R105-M107 VanDerWaalsContact C-N 3.3Å; R105-M107 PolarHBondContact O-N 3.32Å; M107-R113 PolarHBondContact O-NH1 3.39Å
108A61.3Low73.2Confident85 Ų85102.1 Ų102.170%0.70250%0.497SS*.  trans-54.2141.8172.700000111.2S110A108-S110 PolarHBondContact O-N 3.36Å
109W60Low73.6Confident210 Ų21098.3 Ų98.380%0.79549%0.491SS*.SBendtrans-63.896.2-178.7-168-64000110
110S66.6Low73.7Confident65 Ų6597 Ų9746%0.45548%0.484SS..  trans-134.8157.4-175.3-169.70000110.6A108 P112 R113A108-S110 PolarHBondContact O-N 3.36Å; S110-P112 VanDerWaalsContact C-N 3.26Å; S110-P112 VanDerWaalsContact O-N 3.13Å; S110-P112 VanDerWaalsContact OG-CD 3.24Å; S110-P112 WeakPolarHBondContact OG-CD 3.33Å; S110-R113 VanDerWaalsContact O-CB 3.23Å; S110-R113 WeakPolarHBondContact O-CB 3.26Å; S110-R113 PolarHBondContact O-N 3.1Å
111K68.7Low74.2Confident184 Ų18498 Ų9880%0.849%0.49SS*.Hα-helixtrans-48.4-38.6179.7-72.4179.9179.4174.60113.9R113 N114 V115K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.99Å; K111-N114 PolarHBondContact O-N 3.28Å; K111-V115 PolarHBondContact O-N 2.87Å
112P77.8Confident74.6Confident88 Ų8898 Ų9857%0.57149%0.494SS*.Hα-helixtrans-64.7-32.2176.7-22.134.6000113.9S110 V115 Q116S110-P112 VanDerWaalsContact C-N 3.26Å; S110-P112 VanDerWaalsContact O-N 3.13Å; S110-P112 VanDerWaalsContact OG-CD 3.24Å; S110-P112 WeakPolarHBondContact OG-CD 3.33Å; P112-V115 PolarHBondContact O-N 3.41Å; P112-Q116 PolarHBondContact O-N 3.15Å
113R73Confident75Confident35 Ų3599.2 Ų99.213%0.13249%0.494CS..Hα-helixtrans-63.4-44178.8-178.4174174.9-174.9-3.3111.4T104 M107 S110 K111 V115 Q116 I117T104-R113 HydrophobicContact CG2-CG 4.01Å; T104-R113 PolarHBondContact O-NE 3.03Å; T104-R113 PolarHBondContact O-NH1 2.78Å; T104-R113 PolarHBondContact O-NH2 3.43Å; T104-R113 VanDerWaalsContact O-NH2 3.15Å; T104-R113 PolarHBondContact OG1-NE 3.35Å; M107-R113 PolarHBondContact O-NH1 3.39Å; S110-R113 VanDerWaalsContact O-CB 3.23Å; S110-R113 WeakPolarHBondContact O-CB 3.26Å; S110-R113 PolarHBondContact O-N 3.1Å; K111-R113 VanDerWaalsContact C-N 3.32Å; K111-R113 PolarHBondContact O-N 2.99Å; R113-V115 VanDerWaalsContact C-N 3.31Å; R113-V115 PolarHBondContact O-N 3.48Å; R113-Q116 PolarHBondContact O-N 2.91Å; R113-I117 HydrophobicContact CG-CD1 3.89Å; R113-I117 HydrophobicContact CG-CG1 4.48Å; R113-I117 VanDerWaalsContact O-CG1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.32Å; R113-I117 PolarHBondContact O-N 2.85Å
114N77.8Confident75.5Confident79 Ų7996 Ų9642%0.42248%0.479SS..Hα-helixtrans-63.2-40.4178.7-67-0.1000111.4K111 L118K111-N114 PolarHBondContact O-N 3.28Å; N114-L118 VanDerWaalsContact O-CB 3.27Å; N114-L118 WeakPolarHBondContact O-CB 3.25Å; N114-L118 PolarHBondContact O-N 2.89Å
115V85Confident76.3Confident100 Ų10096.1 Ų96.161%0.60648%0.481SS*.Hα-helixtrans-66.7-40.1177178.60000111K111 P112 R113 L118 N119K111-V115 PolarHBondContact O-N 2.87Å; P112-V115 PolarHBondContact O-N 3.41Å; R113-V115 VanDerWaalsContact C-N 3.31Å; R113-V115 PolarHBondContact O-N 3.48Å; V115-L118 PolarHBondContact O-N 3.2Å; V115-N119 VanDerWaalsContact O-CB 3.32Å; V115-N119 WeakPolarHBondContact O-CB 3.45Å; V115-N119 PolarHBondContact O-N 2.96Å
116Q82.6Confident77.2Confident88 Ų8889.8 Ų89.841%0.41147%0.467SS..Hα-helixtrans-67.9-43.7178.2-173.7175.21.300112.7T104 P112 R113 L118 N119 M120T104-Q116 HydrophobicContact CG2-CG 4.44Å; P112-Q116 PolarHBondContact O-N 3.15Å; R113-Q116 PolarHBondContact O-N 2.91Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; Q116-N119 PolarHBondContact O-N 2.87Å; Q116-M120 PolarHBondContact O-N 3.4Å
117I82.4Confident77.9Confident19 Ų1986.2 Ų86.210%0.09745%0.453CS..Hα-helixtrans-59.5-48.2174-65.7163.3000109.4L97 L101 T104 R113 N119 M120 V121L97-I117 HydrophobicContact CD1-CG2 3.6Å; L101-I117 HydrophobicContact CD2-CD1 4.01Å; T104-I117 HydrophobicContact CG2-CD1 4.49Å; T104-I117 HydrophobicContact CG2-CG1 3.86Å; T104-I117 WeakPolarHBondContact OG1-CD1 3.49Å; T104-I117 WeakPolarHBondContact OG1-CG1 3Å; R113-I117 HydrophobicContact CG-CD1 3.89Å; R113-I117 HydrophobicContact CG-CG1 4.48Å; R113-I117 VanDerWaalsContact O-CG1 3.29Å; R113-I117 WeakPolarHBondContact O-CG1 3.32Å; R113-I117 PolarHBondContact O-N 2.85Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; I117-M120 PolarHBondContact O-N 3.06Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 2.92Å
118L85.3Confident78.7Confident109 Ų10987.4 Ų87.457%0.57145%0.454SS*.Hα-helixtrans-61.3-42.3179.8-174.464000111.7N114 V115 Q116 M120 V121 T122N114-L118 VanDerWaalsContact O-CB 3.27Å; N114-L118 WeakPolarHBondContact O-CB 3.25Å; N114-L118 PolarHBondContact O-N 2.89Å; V115-L118 PolarHBondContact O-N 3.2Å; Q116-L118 VanDerWaalsContact C-N 3.33Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.32Å; L118-V121 PolarHBondContact O-N 3.44Å; L118-T122 WeakPolarHBondContact O-CB 3.43Å; L118-T122 PolarHBondContact O-N 2.69Å; L118-T122 PolarHBondContact O-OG1 2.6Å
119N88.4Confident79.4Confident107 Ų10783.8 Ų83.857%0.57242%0.423SS*.Hα-helixtrans-62.5-40.7176.7-170.340.8000111.8V115 Q116 I117 R123V115-N119 VanDerWaalsContact O-CB 3.32Å; V115-N119 WeakPolarHBondContact O-CB 3.45Å; V115-N119 PolarHBondContact O-N 2.96Å; Q116-N119 PolarHBondContact O-N 2.87Å; I117-N119 VanDerWaalsContact C-N 3.33Å; I117-N119 PolarHBondContact O-N 3.3Å; N119-R123 WeakPolarHBondContact O-CB 3.27Å; N119-R123 PolarHBondContact O-N 2.84Å
120M82.6Confident80.4Confident88 Ų8879.4 Ų79.443%0.43342%0.415SS..Hα-helixtrans-64.4-46.8174.3-102.9-134.7164.500112.3Q116 I117 L118 R123 Q124Q116-M120 PolarHBondContact O-N 3.4Å; I117-M120 PolarHBondContact O-N 3.06Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.32Å; M120-R123 PolarHBondContact O-N 2.59Å; M120-Q124 VanDerWaalsContact O-CB 3.23Å; M120-Q124 WeakPolarHBondContact O-CB 3.38Å; M120-Q124 PolarHBondContact O-N 3.01Å
121V87.1Confident80.7Confident22 Ų2279.7 Ų79.713%0.13342%0.417CS..Hα-helixtrans-59-50.1178.2171.80000111A93 L97 I117 L118 Q124 G125A93-V121 HydrophobicContact CB-CG1 3.8Å; L97-V121 VanDerWaalsContact CA-CG2 3.44Å; L97-V121 HydrophobicContact CB-CG2 3.66Å; L97-V121 HydrophobicContact CD1-CG2 3.76Å; L97-V121 HydrophobicContact CG-CG2 4.32Å; I117-V121 HydrophobicContact CG2-CG2 4.2Å; I117-V121 VanDerWaalsContact O-CG2 3.24Å; I117-V121 WeakPolarHBondContact O-CG2 3.48Å; I117-V121 PolarHBondContact O-N 2.92Å; L118-V121 PolarHBondContact O-N 3.44Å; V121-Q124 PolarHBondContact O-N 2.82Å; V121-G125 PolarHBondContact O-N 3.49Å
122T85.8Confident80.7Confident85 Ų8574.3 Ų74.352%0.52140%0.397SS..Hα-helixtrans-65.5-43.5-177.9-59.50000111.2L118 A126L118-T122 WeakPolarHBondContact O-CB 3.43Å; L118-T122 PolarHBondContact O-N 2.69Å; L118-T122 PolarHBondContact O-OG1 2.6Å; T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.87Å
123R84.6Confident80.4Confident189 Ų18970.5 Ų70.571%0.71337%0.374SS*.Hα-helixtrans-66.4-41178.6-173173.3175.3-179.8-1.2112N119 M120 S127N119-R123 WeakPolarHBondContact O-CB 3.27Å; N119-R123 PolarHBondContact O-N 2.84Å; M120-R123 PolarHBondContact O-N 2.59Å; R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.73Å
124Q83.3Confident80.1Confident62 Ų6270.9 Ų70.929%0.2938%0.382SS..Hα-helixtrans-69.3-43.9177.6-162.973.55.200111.3G92 M120 V121 S127 W128G92-Q124 WeakPolarHBondContact O-CG 3.41Å; M120-Q124 VanDerWaalsContact O-CB 3.23Å; M120-Q124 WeakPolarHBondContact O-CB 3.38Å; M120-Q124 PolarHBondContact O-N 3.01Å; V121-Q124 PolarHBondContact O-N 2.82Å; Q124-S127 PolarHBondContact O-N 3.02Å; Q124-W128 VanDerWaalsContact NE2-NE1 3.15Å; Q124-W128 PolarHBondContact O-N 2.91Å
125G82.9Confident79.5Confident6 Ų670.7 Ų70.76%0.06238%0.384CS..Hα-helixtrans-57.5-48.3174.200000112V121 S127 W128 A129V121-G125 PolarHBondContact O-N 3.49Å; G125-S127 PolarHBondContact O-N 2.77Å; G125-W128 PolarHBondContact O-N 2.68Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.87Å
126A81.4Confident78.3Confident48 Ų4866.6 Ų66.640%0.39736%0.36SS..Hα-helixtrans-63.1-41.1177.600000112.7T122 N130T122-A126 VanDerWaalsContact O-CB 3.29Å; T122-A126 WeakPolarHBondContact O-CB 3.42Å; T122-A126 PolarHBondContact O-N 2.87Å; A126-N130 WeakPolarHBondContact O-CB 3.46Å; A126-N130 VanDerWaalsContact O-CG 3.32Å; A126-N130 PolarHBondContact O-N 3.16Å; A126-N130 PolarHBondContact O-ND2 2.88Å
127S77.8Confident77.3Confident64 Ų6466.9 Ų66.945%0.44836%0.364SS..Hα-helixtrans-65.1-42178.5-179.90000112.5R123 Q124 G125 S131R123-S127 WeakPolarHBondContact O-CB 3.23Å; R123-S127 PolarHBondContact O-N 2.73Å; Q124-S127 PolarHBondContact O-N 3.02Å; G125-S127 PolarHBondContact O-N 2.77Å; S127-S131 WeakPolarHBondContact O-CB 3.41Å; S127-S131 PolarHBondContact O-N 3.41Å; S127-S131 VanDerWaalsContact O-N 3.15Å; S127-S131 PolarHBondContact O-OG 2.77Å
128W77.6Confident76.4Confident103 Ų10367.4 Ų67.439%0.3937%0.367SS..Hα-helixtrans-72.4-39.8177.8-8058.4000112.3Q124 G125 S131 L132Q124-W128 VanDerWaalsContact NE2-NE1 3.15Å; Q124-W128 PolarHBondContact O-N 2.91Å; G125-W128 PolarHBondContact O-N 2.68Å; W128-S131 PolarHBondContact O-N 3.33Å; W128-L132 WeakPolarHBondContact O-CB 3.41Å; W128-L132 PolarHBondContact O-N 2.87Å
129A77Confident75.1Confident8 Ų870.8 Ų70.87%0.06637%0.373CS..Hα-helixtrans-61.1-45.3174.600000111.9A89 G125 S131 L132 G133A89-A129 HydrophobicContact CB-CB 3.94Å; G125-A129 WeakPolarHBondContact O-CB 3.43Å; G125-A129 PolarHBondContact O-N 2.87Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.47Å; A129-L132 PolarHBondContact O-N 2.72Å; A129-G133 WeakPolarHBondContact O-CA 3.33Å; A129-G133 PolarHBondContact O-N 3.05Å
130N80.4Confident73.4Confident118 Ų11866.8 Ų66.863%0.63135%0.354SS*.Hα-helixtrans-64-37.5176.2-77.8-29.7000112.3A126 S134A126-N130 WeakPolarHBondContact O-CB 3.46Å; A126-N130 VanDerWaalsContact O-CG 3.32Å; A126-N130 PolarHBondContact O-N 3.16Å; A126-N130 PolarHBondContact O-ND2 2.88Å; N130-S134 VanDerWaalsContact O-CB 3.27Å; N130-S134 WeakPolarHBondContact O-CB 3.31Å; N130-S134 PolarHBondContact O-N 3.46Å; N130-S134 PolarHBondContact O-OG 3.01Å
131S74.2Confident72.1Confident71 Ų7165.2 Ų65.250%0.49736%0.355SS..Hα-helixtrans-71-42.5179.3-59.10000112.3S127 W128 A129 S134 V135S127-S131 WeakPolarHBondContact O-CB 3.41Å; S127-S131 PolarHBondContact O-N 3.41Å; S127-S131 VanDerWaalsContact O-N 3.15Å; S127-S131 PolarHBondContact O-OG 2.77Å; W128-S131 PolarHBondContact O-N 3.33Å; A129-S131 VanDerWaalsContact C-N 3.32Å; A129-S131 PolarHBondContact O-N 3.47Å; S131-S134 PolarHBondContact O-OG 3.22Å; S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.36Å; S131-V135 PolarHBondContact O-N 2.97Å
132L68.3Low70.4Confident71 Ų7167.5 Ų67.537%0.37236%0.363SS..Hα-helixtrans-77-39.1178.4-80.6159.6000112.3W128 A129 V135 A136W128-L132 WeakPolarHBondContact O-CB 3.41Å; W128-L132 PolarHBondContact O-N 2.87Å; A129-L132 PolarHBondContact O-N 2.72Å; L132-V135 PolarHBondContact O-N 2.75Å; L132-A136 WeakPolarHBondContact O-CB 3.28Å; L132-A136 PolarHBondContact O-N 3.37Å
133G71.3Confident68.6Low8 Ų865.4 Ų65.48%0.08236%0.358CS..Hα-helixtrans-63.3-39.6175.600000112.7A129 A136 L137A129-G133 WeakPolarHBondContact O-CA 3.33Å; A129-G133 PolarHBondContact O-N 3.05Å; G133-A136 PolarHBondContact O-N 3.41Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 VanDerWaalsContact O-CG 3.28Å; G133-L137 WeakPolarHBondContact O-CG 3Å; G133-L137 PolarHBondContact O-N 3.06Å
134S66.4Low66.7Low44 Ų4459.9 Ų59.931%0.30835%0.345SS..Hα-helixtrans-67.9-37.5174.354.70000112.8N130 S131 L138N130-S134 VanDerWaalsContact O-CB 3.27Å; N130-S134 WeakPolarHBondContact O-CB 3.31Å; N130-S134 PolarHBondContact O-N 3.46Å; N130-S134 PolarHBondContact O-OG 3.01Å; S131-S134 PolarHBondContact O-OG 3.22Å; S134-L138 WeakPolarHBondContact O-CG 3.13Å; S134-L138 PolarHBondContact O-N 2.93Å
135V65.1Low64.9Low75 Ų7559.4 Ų59.446%0.45535%0.352SS..Hα-helixtrans-68.1-38174.3172.60000111.8S131 L132 L138 Y139S131-V135 VanDerWaalsContact O-CG2 3.25Å; S131-V135 WeakPolarHBondContact O-CG2 3.36Å; S131-V135 PolarHBondContact O-N 2.97Å; L132-V135 PolarHBondContact O-N 2.75Å; V135-L138 WeakPolarHBondContact O-CB 3.12Å; V135-L138 PolarHBondContact O-N 3.1Å; V135-Y139 WeakPolarHBondContact O-CB 3.43Å; V135-Y139 PolarHBondContact O-N 2.91Å
136A60.3Low63Low14 Ų1463 Ų6312%0.11637%0.369CS..Hα-helixtrans-69.5-41174.700000112.3S84 L132 G133 L138 Y139 S140S84-A136 WeakPolarHBondContact OG-CB 3.36Å; L132-A136 WeakPolarHBondContact O-CB 3.28Å; L132-A136 PolarHBondContact O-N 3.37Å; G133-A136 PolarHBondContact O-N 3.41Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.84Å; A136-Y139 PolarHBondContact O-N 2.95Å; A136-S140 PolarHBondContact O-N 3.01Å; A136-S140 PolarHBondContact O-OG 3.09Å
137L61.8Low61.2Low93 Ų9365.3 Ų65.349%0.48737%0.371SS..Hα-helixtrans-57.9-43173.7-83.8169.4000111.4I81 G133 A141I81-L137 HydrophobicContact CD1-CD2 3.47Å; I81-L137 VanDerWaalsContact CD1-CD2 3.47Å; I81-L137 HydrophobicContact CD1-CG 4.34Å; I81-L137 HydrophobicContact CG1-CD2 3.96Å; I81-L137 HydrophobicContact CG1-CG 4.3Å; I81-L137 HydrophobicContact CG2-CD2 3.92Å; I81-L137 HydrophobicContact CG2-CG 3.87Å; G133-L137 WeakPolarHBondContact O-CB 3.33Å; G133-L137 VanDerWaalsContact O-CG 3.28Å; G133-L137 WeakPolarHBondContact O-CG 3Å; G133-L137 PolarHBondContact O-N 3.06Å; L137-A141 VanDerWaalsContact O-CB 3.23Å; L137-A141 WeakPolarHBondContact O-CB 3.34Å; L137-A141 PolarHBondContact O-N 2.81Å
138L62.7Low59.3Low30 Ų3070.9 Ų70.916%0.15739%0.387CS..Hα-helixtrans-64-46.6173.6-81.9171.7000113.9S134 V135 A136 S140 A141 F142 F169S134-L138 WeakPolarHBondContact O-CG 3.13Å; S134-L138 PolarHBondContact O-N 2.93Å; V135-L138 WeakPolarHBondContact O-CB 3.12Å; V135-L138 PolarHBondContact O-N 3.1Å; A136-L138 VanDerWaalsContact C-N 3.27Å; A136-L138 PolarHBondContact O-N 2.84Å; L138-S140 PolarHBondContact O-N 2.66Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.12Å; L138-F142 HydrophobicContact CB-CD2 4.17Å; L138-F142 HydrophobicContact CB-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CD2 4.23Å; L138-F142 HydrophobicContact CD2-CE2 3.36Å; L138-F142 HydrophobicContact CD2-CZ 3.9Å; L138-F142 HydrophobicContact CG-CE2 4.23Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 WeakPolarHBondContact O-CD2 3.23Å; L138-F142 PolarHBondContact O-N 2.83Å; L138-F169 HydrophobicContact CD1-CB 4.24Å; L138-F169 HydrophobicContact CD1-CD1 3.02Å; L138-F169 HydrophobicContact CD1-CD2 3.6Å; L138-F169 HydrophobicContact CD1-CE1 2.98Å; L138-F169 HydrophobicContact CD1-CE2 3.54Å; L138-F169 HydrophobicContact CD1-CG 3.3Å; L138-F169 HydrophobicContact CD1-CZ 3.2Å; L138-F169 HydrophobicContact CD2-CB 4.32Å; L138-F169 HydrophobicContact CD2-CD1 4.21Å; L138-F169 HydrophobicContact CD2-CD2 2.97Å; L138-F169 HydrophobicContact CD2-CE1 4.28Å; L138-F169 HydrophobicContact CD2-CE2 3.03Å; L138-F169 HydrophobicContact CD2-CG 3.56Å; L138-F169 HydrophobicContact CD2-CZ 3.7Å; L138-F169 HydrophobicContact CG-CD1 3.95Å; L138-F169 HydrophobicContact CG-CD2 3.56Å; L138-F169 HydrophobicContact CG-CE1 3.72Å; L138-F169 HydrophobicContact CG-CE2 3.27Å; L138-F169 HydrophobicContact CG-CG 3.83Å; L138-F169 HydrophobicContact CG-CZ 3.31Å
139Y57.5Low57.4Low180 Ų18069.9 Ų69.971%0.70640%0.402SS*.Hα-helixtrans-58-42.5179.5177.3-102.6000110.2V135 A136 G143V135-Y139 WeakPolarHBondContact O-CB 3.43Å; V135-Y139 PolarHBondContact O-N 2.91Å; A136-Y139 PolarHBondContact O-N 2.95Å; Y139-G143 PolarHBondContact O-N 3.42Å
140S54.2Low55.9Low23 Ų2374.9 Ų74.916%0.16142%0.419CS..Hα-helixtrans-67-41.3172.6-64.50000113.1A136 L138 G143 V144A136-S140 PolarHBondContact O-N 3.01Å; A136-S140 PolarHBondContact O-OG 3.09Å; L138-S140 PolarHBondContact O-N 2.66Å; S140-G143 PolarHBondContact O-N 2.84Å; S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.37Å
141A53.8Low53.8Low55 Ų5573.2 Ų73.246%0.45543%0.429SS..Hα-helixtrans-65.4-40.4178.400000112.3L137 L138 V144 A145L137-A141 VanDerWaalsContact O-CB 3.23Å; L137-A141 WeakPolarHBondContact O-CB 3.34Å; L137-A141 PolarHBondContact O-N 2.81Å; L138-A141 PolarHBondContact O-N 2.96Å; L138-A141 VanDerWaalsContact O-N 3.12Å; A141-V144 PolarHBondContact O-N 3.01Å; A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.87Å
142F51.7Low51.9Low71 Ų7174.1 Ų74.131%0.31144%0.441SS..Hα-helixtrans-69.4-37.3172.5-70-57.6000111.9L138 V144 A145 I146 T165L138-F142 HydrophobicContact CB-CD2 4.17Å; L138-F142 HydrophobicContact CB-CE2 4.03Å; L138-F142 HydrophobicContact CD2-CD2 4.23Å; L138-F142 HydrophobicContact CD2-CE2 3.36Å; L138-F142 HydrophobicContact CD2-CZ 3.9Å; L138-F142 HydrophobicContact CG-CE2 4.23Å; L138-F142 WeakPolarHBondContact O-CB 3.34Å; L138-F142 WeakPolarHBondContact O-CD2 3.23Å; L138-F142 PolarHBondContact O-N 2.83Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 3.37Å; F142-A145 PolarHBondContact O-N 3.22Å; F142-I146 HydrophobicContact CB-CD1 4.46Å; F142-I146 WeakPolarHBondContact O-CB 3.35Å; F142-I146 WeakPolarHBondContact O-CG1 3.33Å; F142-I146 PolarHBondContact O-N 3.1Å; F142-T165 HydrophobicContact CD1-CG2 3.76Å; F142-T165 HydrophobicContact CD2-CG2 4Å; F142-T165 HydrophobicContact CE1-CG2 3.11Å; F142-T165 HydrophobicContact CE2-CG2 3.36Å; F142-T165 HydrophobicContact CG-CG2 4.22Å; F142-T165 HydrophobicContact CZ-CG2 2.94Å
143G49Very low50.8Low40 Ų4077.8 Ų77.841%0.41246%0.456SS..Hα-helixtrans-58.1-40.3172.100000112.9Y139 S140 E147Y139-G143 PolarHBondContact O-N 3.42Å; S140-G143 PolarHBondContact O-N 2.84Å; G143-E147 WeakPolarHBondContact O-CB 3.36Å; G143-E147 PolarHBondContact O-N 2.63Å
144V45Very low49.4Very low73 Ų7383.3 Ų83.344%0.44248%0.484SS..Hα-helixtrans-76.6-37.8176.7175.60000112.1S140 A141 F142 K148S140-V144 WeakPolarHBondContact O-CG2 3.26Å; S140-V144 PolarHBondContact O-N 3.37Å; A141-V144 PolarHBondContact O-N 3.01Å; F142-V144 VanDerWaalsContact C-N 3.29Å; F142-V144 PolarHBondContact O-N 3.37Å; V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.83Å; V144-K148 VanDerWaalsContact O-N 3.1Å
145A44.6Very low48.5Very low53 Ų5386.8 Ų86.844%0.43850%0.499SS..Hα-helixtrans-70.6-40.7179.200000112.6A141 F142 E147 K148 A149A141-A145 VanDerWaalsContact O-CB 3.26Å; A141-A145 WeakPolarHBondContact O-CB 3.41Å; A141-A145 PolarHBondContact O-N 2.87Å; F142-A145 PolarHBondContact O-N 3.22Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3Å; A145-K148 PolarHBondContact O-N 3.32Å; A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.08Å
146I44Very low47.6Very low80 Ų8090.5 Ų90.541%0.4152%0.515SS..Hα-helixtrans-64.4-39.7176.1-71.8170.5000110.3F142 A149 R150F142-I146 HydrophobicContact CB-CD1 4.46Å; F142-I146 WeakPolarHBondContact O-CB 3.35Å; F142-I146 WeakPolarHBondContact O-CG1 3.33Å; F142-I146 PolarHBondContact O-N 3.1Å; I146-A149 PolarHBondContact O-N 2.79Å; I146-R150 WeakPolarHBondContact O-CB 3.31Å; I146-R150 PolarHBondContact O-N 3.02Å; I146-R150 VanDerWaalsContact O-N 3.15Å
147E42.4Very low46.9Very low97 Ų9795.3 Ų95.345%0.45354%0.539SS..Hα-helixtrans-71.7-31179.1-171-178.3-141.100113.6R73 G143 A145 A149R73-E147 IonicContact CZ-OE1 2.84Å; R73-E147 IonicContact CZ-OE2 3.04Å; R73-E147 IonicContact NE-OE2 2.89Å; R73-E147 IonicContact NH1-OE1 3.91Å; R73-E147 PolarHBondContact NH1-OE1 3.44Å; R73-E147 IonicContact NH1-OE2 2.6Å; R73-E147 PolarHBondContact NH1-OE2 3.5Å; R73-E147 IonicContact NH2-OE1 2.59Å; R73-E147 PolarHBondContact NH2-OE1 3.42Å; R73-E147 IonicContact NH2-OE2 2.69Å; R73-E147 PolarHBondContact NH2-OE2 3.4Å; G143-E147 WeakPolarHBondContact O-CB 3.36Å; G143-E147 PolarHBondContact O-N 2.63Å; A145-E147 VanDerWaalsContact C-N 3.31Å; A145-E147 PolarHBondContact O-N 3Å; E147-A149 VanDerWaalsContact C-N 3.34Å
148K37.3Very low46.3Very low181 Ų18193.6 Ų93.679%0.78753%0.532SS*.Hα-helixtrans-77.4-19.7173.7-72.4-73.8-178.5177.80113.3V144 A145V144-K148 WeakPolarHBondContact O-CG 3.41Å; V144-K148 PolarHBondContact O-N 2.83Å; V144-K148 VanDerWaalsContact O-N 3.1Å; A145-K148 PolarHBondContact O-N 3.32Å
149A38.3Very low45.6Very low83 Ų8394.4 Ų94.469%0.68654%0.538SS*.Hα-helixtrans-97.2-17.2-177.400000114.3A145 I146 E147 G151A145-A149 VanDerWaalsContact O-CB 3.28Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 3.02Å; A145-A149 VanDerWaalsContact O-N 3.08Å; I146-A149 PolarHBondContact O-N 2.79Å; E147-A149 VanDerWaalsContact C-N 3.34Å; A149-G151 PolarHBondContact O-N 3.1Å
150R45.1Very low45.4Very low113 Ų11388.1 Ų88.143%0.42652%0.523SS..  trans-94.591.6-164.4-165.4174.2-71.2-146.9-4.5113.2I146I146-R150 WeakPolarHBondContact O-CB 3.31Å; I146-R150 PolarHBondContact O-N 3.02Å; I146-R150 VanDerWaalsContact O-N 3.15Å
151G36.2Very low45.2Very low83 Ų8389.4 Ų89.486%0.85654%0.535SS*.SBendtrans-112.65.2162.900000114.8A149A149-G151 PolarHBondContact O-N 3.1Å
152A34Very low45.2Very low90 Ų9088.1 Ų88.174%0.74453%0.527SS*.SBendtrans-168.8146.3168.500000110.9
153E46.2Very low45.4Very low147 Ų14785.9 Ų85.969%0.68752%0.52SS*.  trans-91.5128.2-179.6-68.6179.7133.300111.4
154D42.5Very low45.6Very low125 Ų12589.1 Ų89.167%0.66853%0.527SS*.  trans-138108156.8-85.1-45.4000108I156 N157 T158D154-I156 PolarHBondContact O-N 3.36Å; D154-N157 HydrophobicContact CB-CB 4.39Å; D154-N157 PolarHBondContact O-N 3.32Å; D154-T158 PolarHBondContact O-N 3.44Å
155D45.9Very low46Very low116 Ų11687.5 Ų87.562%0.6252%0.517SS*.Hα-helixtrans-57.8-31.4-171.3-79.4-55.4000114.3N157 T158 V159D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 2.96Å; D155-T158 PolarHBondContact O-N 3.34Å; D155-V159 PolarHBondContact O-N 3.13Å
156I46.2Very low46.3Very low153 Ų15385.7 Ų85.779%0.78550%0.504SS*.Hα-helixtrans-67.8-35.2176.7-82.3169.4000111.7D154 A160D154-I156 PolarHBondContact O-N 3.36Å; I156-A160 WeakPolarHBondContact O-CB 3.47Å; I156-A160 PolarHBondContact O-N 2.95Å; I156-A160 VanDerWaalsContact O-N 3.13Å
157N46.3Very low46.7Very low116 Ų11686.6 Ų86.662%0.6251%0.507SS*.Hα-helixtrans-77.8-27.4-177.6-147.818.5000111.4D154 D155 A161D154-N157 HydrophobicContact CB-CB 4.39Å; D154-N157 PolarHBondContact O-N 3.32Å; D155-N157 VanDerWaalsContact C-N 3.33Å; D155-N157 PolarHBondContact O-N 2.96Å; N157-A161 WeakPolarHBondContact O-CB 3.3Å; N157-A161 PolarHBondContact O-N 2.88Å
158T49.9Very low47.3Very low57 Ų5787.2 Ų87.235%0.3551%0.513SS..Hα-helixtrans-72.3-39176-60.90000112.2D154 D155 G162D154-T158 PolarHBondContact O-N 3.44Å; D155-T158 PolarHBondContact O-N 3.34Å; T158-G162 PolarHBondContact O-N 2.85Å
159V46.7Very low48Very low47 Ų4783 Ų8329%0.28550%0.495SS..Hα-helixtrans-70.6-42.5175.5177.80000110.5D155 T163 L186D155-V159 PolarHBondContact O-N 3.13Å; V159-T163 WeakPolarHBondContact O-CB 3.42Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 3.28Å; V159-T163 PolarHBondContact O-OG1 3.37Å; V159-L186 HydrophobicContact CG1-CD2 4.04Å
160A53.5Low48.5Very low47 Ų4783.8 Ų83.839%0.38848%0.483SS..Hα-helixtrans-64.5-42.9175.200000112.2I156 T163 L164I156-A160 WeakPolarHBondContact O-CB 3.47Å; I156-A160 PolarHBondContact O-N 2.95Å; I156-A160 VanDerWaalsContact O-N 3.13Å; A160-T163 WeakPolarHBondContact CA-OG1 3.08Å; A160-T163 PolarHBondContact O-OG1 2.66Å; A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.33Å
161A51.1Low48.4Very low50 Ų5081.4 Ų81.441%0.41348%0.483SS..Hα-helixtrans-67.5-42.2177.300000112N157 T165N157-A161 WeakPolarHBondContact O-CB 3.3Å; N157-A161 PolarHBondContact O-N 2.88Å; A161-T165 WeakPolarHBondContact O-CB 3.29Å; A161-T165 PolarHBondContact O-N 2.9Å; A161-T165 PolarHBondContact O-OG1 3.38Å
162G53.7Low48.9Very low28 Ų2883.3 Ų83.329%0.28948%0.484SS..Hα-helixtrans-66-35.617800000113.3T158 G166T158-G162 PolarHBondContact O-N 2.85Å; G162-G166 PolarHBondContact O-N 2.8Å
163T54.8Low49.3Very low25 Ų2582.2 Ų82.215%0.15348%0.481CS..Hα-helixtrans-75.1-45.2176.343.60000113.3V159 A160 T165 G166 M167 L186V159-T163 WeakPolarHBondContact O-CB 3.42Å; V159-T163 WeakPolarHBondContact O-CG2 3.23Å; V159-T163 PolarHBondContact O-N 3.28Å; V159-T163 PolarHBondContact O-OG1 3.37Å; A160-T163 WeakPolarHBondContact CA-OG1 3.08Å; A160-T163 PolarHBondContact O-OG1 2.66Å; T163-T165 VanDerWaalsContact C-N 3.27Å; T163-T165 PolarHBondContact O-N 2.89Å; T163-G166 PolarHBondContact O-N 3.41Å; T163-M167 WeakPolarHBondContact O-CG 3.48Å; T163-M167 PolarHBondContact O-N 2.8Å; T163-L186 HydrophobicContact CG2-CB 4.04Å; T163-L186 HydrophobicContact CG2-CD1 4.5Å; T163-L186 HydrophobicContact CG2-CD2 3.34Å; T163-L186 HydrophobicContact CG2-CG 3.29Å
164L54.3Low49.2Very low107 Ų10777.1 Ų77.156%0.5647%0.468SS*.Hα-helixtrans-64.7-37.3177.1-165.7147.9000110.7A160 M167 L168A160-L164 WeakPolarHBondContact O-CB 3.37Å; A160-L164 PolarHBondContact O-N 3.33Å; L164-M167 PolarHBondContact O-N 3.47Å; L164-L168 HydrophobicContact CD2-CD1 3.47Å; L164-L168 VanDerWaalsContact CD2-CD1 3.47Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 2.93Å
165T53.1Low49.2Very low39 Ų3978.7 Ų78.724%0.23948%0.475CS..Hα-helixtrans-61.7-47.3170.3-73.60000112.9F142 A161 T163 M167 L168 F169F142-T165 HydrophobicContact CD1-CG2 3.76Å; F142-T165 HydrophobicContact CD2-CG2 4Å; F142-T165 HydrophobicContact CE1-CG2 3.11Å; F142-T165 HydrophobicContact CE2-CG2 3.36Å; F142-T165 HydrophobicContact CG-CG2 4.22Å; F142-T165 HydrophobicContact CZ-CG2 2.94Å; A161-T165 WeakPolarHBondContact O-CB 3.29Å; A161-T165 PolarHBondContact O-N 2.9Å; A161-T165 PolarHBondContact O-OG1 3.38Å; T163-T165 VanDerWaalsContact C-N 3.27Å; T163-T165 PolarHBondContact O-N 2.89Å; T165-M167 VanDerWaalsContact C-N 3.29Å; T165-M167 PolarHBondContact O-N 3.47Å; T165-L168 PolarHBondContact O-N 2.98Å; T165-F169 PolarHBondContact O-N 3.45Å
166G51.7Low48.8Very low15 Ų1582 Ų8216%0.15549%0.485CS..Hα-helixtrans-64-34.5177.900000112.7G162 T163 G181G162-G166 PolarHBondContact O-N 2.8Å; T163-G166 PolarHBondContact O-N 3.41Å; G166-G181 VanDerWaalsContact C-C 3.5Å; G166-G181 CarbonylContact O-C 3.29Å; G166-G181 VanDerWaalsContact O-C 3.29Å; G166-G181 WeakPolarHBondContact O-CA 3.27Å
167M52.4Low48.7Very low99 Ų9976 Ų7649%0.48846%0.456SS..Hα-helixtrans-69.6-46.8172.3-73.8-170.7-172.400112T163 L164 T165 K170 S171T163-M167 WeakPolarHBondContact O-CG 3.48Å; T163-M167 PolarHBondContact O-N 2.8Å; L164-M167 PolarHBondContact O-N 3.47Å; T165-M167 VanDerWaalsContact C-N 3.29Å; T165-M167 PolarHBondContact O-N 3.47Å; M167-K170 PolarHBondContact O-N 3.31Å; M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 2.88Å; M167-S171 VanDerWaalsContact O-N 3.08Å
168L55Low48.6Very low110 Ų11071 Ų7158%0.57643%0.431SS*.Hα-helixtrans-66.9-42.7-177.5-80.9178.4000112.4L164 T165 K170 S171L164-L168 HydrophobicContact CD2-CD1 3.47Å; L164-L168 VanDerWaalsContact CD2-CD1 3.47Å; L164-L168 HydrophobicContact CD2-CG 4.11Å; L164-L168 WeakPolarHBondContact O-CB 3.18Å; L164-L168 WeakPolarHBondContact O-CG 3.4Å; L164-L168 PolarHBondContact O-N 2.93Å; T165-L168 PolarHBondContact O-N 2.98Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.45Å; L168-S171 WeakPolarHBondContact O-CB 3.16Å; L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-N 3.16Å
169F50.9Low48.7Very low92 Ų9271 Ų7140%0.40444%0.437SS..Hα-helixtrans-65.8-34.1-178.5-172.8-94.2000112.9L138 T165 S171L138-F169 HydrophobicContact CD1-CB 4.24Å; L138-F169 HydrophobicContact CD1-CD1 3.02Å; L138-F169 HydrophobicContact CD1-CD2 3.6Å; L138-F169 HydrophobicContact CD1-CE1 2.98Å; L138-F169 HydrophobicContact CD1-CE2 3.54Å; L138-F169 HydrophobicContact CD1-CG 3.3Å; L138-F169 HydrophobicContact CD1-CZ 3.2Å; L138-F169 HydrophobicContact CD2-CB 4.32Å; L138-F169 HydrophobicContact CD2-CD1 4.21Å; L138-F169 HydrophobicContact CD2-CD2 2.97Å; L138-F169 HydrophobicContact CD2-CE1 4.28Å; L138-F169 HydrophobicContact CD2-CE2 3.03Å; L138-F169 HydrophobicContact CD2-CG 3.56Å; L138-F169 HydrophobicContact CD2-CZ 3.7Å; L138-F169 HydrophobicContact CG-CD1 3.95Å; L138-F169 HydrophobicContact CG-CD2 3.56Å; L138-F169 HydrophobicContact CG-CE1 3.72Å; L138-F169 HydrophobicContact CG-CE2 3.27Å; L138-F169 HydrophobicContact CG-CG 3.83Å; L138-F169 HydrophobicContact CG-CZ 3.31Å; T165-F169 PolarHBondContact O-N 3.45Å; F169-S171 VanDerWaalsContact C-N 3.34Å
170K49.3Very low48.9Very low101 Ų10178.2 Ų78.244%0.43946%0.459SS..THydrogen-bonded Turntrans-948.1178.6-144103.2167.8-174.50113M167 L168 S177 A178M167-K170 PolarHBondContact O-N 3.31Å; L168-K170 VanDerWaalsContact C-N 3.28Å; L168-K170 PolarHBondContact O-N 3.45Å; K170-S177 WeakPolarHBondContact CB-O 3.27Å; K170-S177 VanDerWaalsContact CG-O 3.24Å; K170-S177 WeakPolarHBondContact CG-O 3.49Å; K170-S177 CarbonylContact O-C 3.5Å; K170-S177 WeakPolarHBondContact O-CB 3.29Å; K170-S177 PolarHBondContact O-OG 2.8Å; K170-A178 PolarHBondContact O-N 3.49Å
171S42.3Very low48.9Very low62 Ų6276.4 Ų76.443%0.43445%0.445SS..G310 helixtrans-69-33.5179-176.30000112.5M167 L168 F169 G173 G174M167-S171 WeakPolarHBondContact O-CB 3.46Å; M167-S171 PolarHBondContact O-N 2.88Å; M167-S171 VanDerWaalsContact O-N 3.08Å; L168-S171 WeakPolarHBondContact O-CB 3.16Å; L168-S171 PolarHBondContact O-N 2.92Å; L168-S171 VanDerWaalsContact O-N 3.16Å; F169-S171 VanDerWaalsContact C-N 3.34Å; S171-G173 PolarHBondContact O-N 3.47Å; S171-G174 PolarHBondContact O-N 2.99Å
172S47.3Very low48.9Very low124 Ų12474.2 Ų74.287%0.86743%0.427SS*.G310 helixtrans-65.5-8.1-179.5-44.30000114.7
173G43.2Very low49.1Very low67 Ų6778.5 Ų78.569%0.69144%0.443SS*.G310 helixtrans-104.53.2174.600000114.9S171 S177S171-G173 PolarHBondContact O-N 3.47Å; G173-S177 VanDerWaalsContact CA-OG 3.3Å; G173-S177 WeakPolarHBondContact CA-OG 3.46Å; G173-S177 PolarHBondContact O-OG 2.97Å
174G43.1Very low49.2Very low39 Ų3981.8 Ų81.840%0.40246%0.463SS..  trans105174.6-17900000115.5S171 K176 S177 A178S171-G174 PolarHBondContact O-N 2.99Å; G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 2.87Å; G174-S177 PolarHBondContact N-OG 2.8Å; G174-S177 PolarHBondContact O-N 2.79Å; G174-S177 PolarHBondContact O-OG 2.82Å; G174-A178 PolarHBondContact O-N 2.9Å
175L41.8Very low49.3Very low158 Ų15877.4 Ų77.483%0.82744%0.443SS*.Hα-helixtrans-63.5-33.7-172-161.469.1000113.6A179L175-A179 PolarHBondContact O-N 3.21Å
176K38.1Very low49.5Very low187 Ų18779.6 Ų79.681%0.81345%0.453SS*.Hα-helixtrans-72.2-32.4178.1-66.6-177.3-1761800112.6G174 R180G174-K176 VanDerWaalsContact C-N 3.33Å; G174-K176 PolarHBondContact O-N 2.87Å; K176-R180 PolarHBondContact O-N 3.28Å
177S44.2Very low49.7Very low25 Ų2582 Ų8218%0.17547%0.471CS..Hα-helixtrans-76.4-39175.659.60000110.4K170 G173 G174 A179 R180 G181K170-S177 WeakPolarHBondContact CB-O 3.27Å; K170-S177 VanDerWaalsContact CG-O 3.24Å; K170-S177 WeakPolarHBondContact CG-O 3.49Å; K170-S177 CarbonylContact O-C 3.5Å; K170-S177 WeakPolarHBondContact O-CB 3.29Å; K170-S177 PolarHBondContact O-OG 2.8Å; G173-S177 VanDerWaalsContact CA-OG 3.3Å; G173-S177 WeakPolarHBondContact CA-OG 3.46Å; G173-S177 PolarHBondContact O-OG 2.97Å; G174-S177 PolarHBondContact N-OG 2.8Å; G174-S177 PolarHBondContact O-N 2.79Å; G174-S177 PolarHBondContact O-OG 2.82Å; S177-A179 VanDerWaalsContact C-N 3.32Å; S177-A179 PolarHBondContact O-N 2.8Å; S177-R180 PolarHBondContact O-N 3.09Å; S177-G181 PolarHBondContact O-N 3.22Å
178A44.9Very low50Low13 Ų1381.9 Ų81.911%0.10748%0.476CS..Hα-helixtrans-55.3-45.617100000112.1K170 G174 G181 G182K170-A178 PolarHBondContact O-N 3.49Å; G174-A178 PolarHBondContact O-N 2.9Å; A178-G181 PolarHBondContact O-N 3.24Å; A178-G182 PolarHBondContact O-N 3Å
179A51Low49.9Very low57 Ų5777.5 Ų77.547%0.47146%0.455SS..Hα-helixtrans-63.5-41.6176.500000113L175 S177 G182 L183L175-A179 PolarHBondContact O-N 3.21Å; S177-A179 VanDerWaalsContact C-N 3.32Å; S177-A179 PolarHBondContact O-N 2.8Å; A179-G182 PolarHBondContact O-N 2.75Å; A179-L183 PolarHBondContact O-N 2.99Å
180R52.3Low50.1Low197 Ų19774.6 Ų74.674%0.74345%0.451SS*.Hα-helixtrans-67.2-37.2174.7-91.2178.7166.3171.7-3.9112.7K176 S177 L183 V184K176-R180 PolarHBondContact O-N 3.28Å; S177-R180 PolarHBondContact O-N 3.09Å; R180-L183 PolarHBondContact O-N 3.04Å; R180-V184 WeakPolarHBondContact O-CG2 3.28Å; R180-V184 PolarHBondContact O-N 3.09Å
181G51.5Low50.5Low10 Ų1072.8 Ų72.810%0.10346%0.455CS..Hα-helixtrans-66.5-41.1174.700000112G166 S177 A178 V184 G185G166-G181 VanDerWaalsContact C-C 3.5Å; G166-G181 CarbonylContact O-C 3.29Å; G166-G181 VanDerWaalsContact O-C 3.29Å; G166-G181 WeakPolarHBondContact O-CA 3.27Å; S177-G181 PolarHBondContact O-N 3.22Å; A178-G181 PolarHBondContact O-N 3.24Å; G181-V184 PolarHBondContact O-N 3.24Å; G181-G185 PolarHBondContact O-N 3.15Å
182G51.4Low51Low3 Ų376.5 Ų76.53%0.03146%0.46CS..Hα-helixtrans-62.7-41.6172.300000113.3A178 A179 G185 L186A178-G182 PolarHBondContact O-N 3Å; A179-G182 PolarHBondContact O-N 2.75Å; G182-G185 PolarHBondContact O-N 3.23Å; G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 3.15Å
183L57.5Low51.4Low118 Ų11872.5 Ų72.562%0.61844%0.435SS*.Hα-helixtrans-66.8-41.4175.8-86.9-171.6000113.2A179 R180 G185 L186 A187A179-L183 PolarHBondContact O-N 2.99Å; R180-L183 PolarHBondContact O-N 3.04Å; L183-G185 VanDerWaalsContact C-N 3.32Å; L183-L186 PolarHBondContact O-N 2.78Å; L183-A187 WeakPolarHBondContact O-CB 3.18Å; L183-A187 PolarHBondContact O-N 3.49Å
184V57.5Low52Low95 Ų9574.3 Ų74.358%0.57643%0.428SS*.Hα-helixtrans-67.5-38.6175.6174.50000110.2R180 G181 A187 V188R180-V184 WeakPolarHBondContact O-CG2 3.28Å; R180-V184 PolarHBondContact O-N 3.09Å; G181-V184 PolarHBondContact O-N 3.24Å; V184-A187 PolarHBondContact O-N 2.97Å; V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CB 3.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.22Å
185G56.3Low52.7Low15 Ų1580.9 Ų80.916%0.15544%0.442CS..Hα-helixtrans-59.3-46.1171.800000112.6G181 G182 L183 S189G181-G185 PolarHBondContact O-N 3.15Å; G182-G185 PolarHBondContact O-N 3.23Å; L183-G185 VanDerWaalsContact C-N 3.32Å; G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 3.43Å; G185-S189 PolarHBondContact O-OG 3.26Å; G185-S189 VanDerWaalsContact O-OG 3.12Å
186L56.9Low53.5Low84 Ų8476.8 Ų76.844%0.4442%0.421SS..Hα-helixtrans-63-41.3174.1-101.1-171.7000112.6V159 T163 G182 L183 S189 G190V159-L186 HydrophobicContact CG1-CD2 4.04Å; T163-L186 HydrophobicContact CG2-CB 4.04Å; T163-L186 HydrophobicContact CG2-CD1 4.5Å; T163-L186 HydrophobicContact CG2-CD2 3.34Å; T163-L186 HydrophobicContact CG2-CG 3.29Å; G182-L186 WeakPolarHBondContact O-CB 3.45Å; G182-L186 PolarHBondContact O-N 3.15Å; L183-L186 PolarHBondContact O-N 2.78Å; L186-S189 PolarHBondContact O-OG 3.2Å; L186-G190 VanDerWaalsContact O-CA 3.31Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 2.94Å
187A57.7Low54.3Low65 Ų6571.6 Ų71.654%0.53740%0.402SS..Hα-helixtrans-67.5-42-178.800000111.3L183 V184 A191L183-A187 WeakPolarHBondContact O-CB 3.18Å; L183-A187 PolarHBondContact O-N 3.49Å; V184-A187 PolarHBondContact O-N 2.97Å; A187-A191 VanDerWaalsContact O-CB 3.23Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.44Å
188V57.8Low54.6Low98 Ų9877.9 Ų77.959%0.59442%0.422SS*.Hα-helixtrans-72.8-44.1178.3174.10000111V184 A191 Y192V184-V188 HydrophobicContact CG1-CG2 4.38Å; V184-V188 WeakPolarHBondContact O-CB 3.02Å; V184-V188 VanDerWaalsContact O-CG2 3.3Å; V184-V188 WeakPolarHBondContact O-CG2 3.49Å; V184-V188 PolarHBondContact O-N 3.22Å; V188-A191 PolarHBondContact O-N 3.41Å; V188-Y192 WeakPolarHBondContact O-CB 3.39Å; V188-Y192 PolarHBondContact O-N 3.18Å
189S53.7Low55Low18 Ų1883.8 Ų83.813%0.12645%0.452CS..Hα-helixtrans-68-37.4176.775.10000111.9G185 L186 Y192 A193G185-S189 VanDerWaalsContact O-CB 3.27Å; G185-S189 WeakPolarHBondContact O-CB 3.49Å; G185-S189 PolarHBondContact O-N 3.43Å; G185-S189 PolarHBondContact O-OG 3.26Å; G185-S189 VanDerWaalsContact O-OG 3.12Å; L186-S189 PolarHBondContact O-OG 3.2Å; S189-Y192 PolarHBondContact O-N 3.43Å; S189-A193 WeakPolarHBondContact O-CB 3.23Å; S189-A193 PolarHBondContact O-N 2.9Å
190G55Low54.9Low31 Ų3187.9 Ų87.932%0.3246%0.461SS..Hα-helixtrans-65.7-43.717600000111.8L186 Y192 A193 L194L186-G190 VanDerWaalsContact O-CA 3.31Å; L186-G190 WeakPolarHBondContact O-CA 3.37Å; L186-G190 PolarHBondContact O-N 2.94Å; G190-Y192 VanDerWaalsContact C-N 3.34Å; G190-Y192 PolarHBondContact O-N 2.99Å; G190-A193 PolarHBondContact O-N 3.35Å; G190-L194 WeakPolarHBondContact O-CB 3.29Å; G190-L194 PolarHBondContact O-N 2.87Å
191A57.6Low54.5Low63 Ų6384.4 Ų84.452%0.52146%0.456SS..Hα-helixtrans-64.3-38.4174.300000112.3A187 V188 L194 Y195A187-A191 VanDerWaalsContact O-CB 3.23Å; A187-A191 WeakPolarHBondContact O-CB 3.5Å; A187-A191 PolarHBondContact O-N 3.44Å; V188-A191 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 2.96Å; A191-Y195 WeakPolarHBondContact O-CB 3.24Å; A191-Y195 PolarHBondContact O-N 2.96Å
192Y52.9Low54.4Low140 Ų14088.8 Ų88.855%0.54948%0.481SS..Hα-helixtrans-68-41.8176.4-163.2-94.4000112.1V188 S189 G190 Y195 N196V188-Y192 WeakPolarHBondContact O-CB 3.39Å; V188-Y192 PolarHBondContact O-N 3.18Å; S189-Y192 PolarHBondContact O-N 3.43Å; G190-Y192 VanDerWaalsContact C-N 3.34Å; G190-Y192 PolarHBondContact O-N 2.99Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y192-N196 WeakPolarHBondContact CD1-ND2 3.32Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.35Å; Y192-N196 PolarHBondContact O-N 3.11Å
193A54.9Low54Low40 Ų4091.3 Ų91.333%0.33151%0.507SS..Hα-helixtrans-64.8-39.2174.300000111.8S189 G190 N197S189-A193 WeakPolarHBondContact O-CB 3.23Å; S189-A193 PolarHBondContact O-N 2.9Å; G190-A193 PolarHBondContact O-N 3.35Å; A193-N197 WeakPolarHBondContact O-CB 3.23Å; A193-N197 PolarHBondContact O-N 2.79Å
194L56.4Low53.2Low104 Ų10491 Ų9155%0.54551%0.514SS..Hα-helixtrans-68.5-36.6177.1-136.5106000112.3G190 A191 N197 W198G190-L194 WeakPolarHBondContact O-CB 3.29Å; G190-L194 PolarHBondContact O-N 2.87Å; A191-L194 PolarHBondContact O-N 2.96Å; L194-N197 PolarHBondContact O-N 3.45Å; L194-W198 HydrophobicContact CD2-CE3 4.17Å; L194-W198 HydrophobicContact CD2-CZ3 3.88Å; L194-W198 PolarHBondContact O-N 2.83Å
195Y57.7Low52.6Low177 Ų17791.6 Ų91.669%0.69452%0.523SS*.Hα-helixtrans-67.9-45177.5-174.4-97.4000111.6A191 Y192 N197 W198A191-Y195 WeakPolarHBondContact O-CB 3.24Å; A191-Y195 PolarHBondContact O-N 2.96Å; Y192-Y195 PolarHBondContact O-N 2.89Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.1Å; Y195-W198 WeakPolarHBondContact O-CB 3.27Å; Y195-W198 PolarHBondContact O-N 3.43Å
196N58.5Low51.9Low73 Ų7396.3 Ų96.339%0.3955%0.551SS.*Hα-helixtrans-69.5-28.1175.8-69.7-15.9000113.1Y192 W198Y192-N196 WeakPolarHBondContact CD1-ND2 3.32Å; Y192-N196 WeakPolarHBondContact CE1-ND2 3.35Å; Y192-N196 PolarHBondContact O-N 3.11Å; N196-W198 VanDerWaalsContact C-N 3.35Å
197N53.5Low51Low77 Ų7796.9 Ų96.941%0.41256%0.562SS.*THydrogen-bonded Turntrans-88.1-1.6-179.9-152.350000113.5A193 L194 Y195 D199 H200 L201A193-N197 WeakPolarHBondContact O-CB 3.23Å; A193-N197 PolarHBondContact O-N 2.79Å; L194-N197 PolarHBondContact O-N 3.45Å; Y195-N197 VanDerWaalsContact C-N 3.31Å; Y195-N197 PolarHBondContact O-N 3.1Å; N197-D199 VanDerWaalsContact C-N 3.31Å; N197-D199 PolarHBondContact O-N 3.41Å; N197-H200 PolarHBondContact O-N 2.84Å; N197-L201 WeakPolarHBondContact O-CG 3.24Å; N197-L201 PolarHBondContact O-N 3.33Å
198W50.9Low50.4Low157 Ų15798.8 Ų98.860%0.59557%0.571SS**Hα-helixtrans-69.1-29.7-179.9-154.5-77.8000112.6L194 Y195 N196 H200 L201 T202L194-W198 HydrophobicContact CD2-CE3 4.17Å; L194-W198 HydrophobicContact CD2-CZ3 3.88Å; L194-W198 PolarHBondContact O-N 2.83Å; Y195-W198 WeakPolarHBondContact O-CB 3.27Å; Y195-W198 PolarHBondContact O-N 3.43Å; N196-W198 VanDerWaalsContact C-N 3.35Å; W198-H200 VanDerWaalsContact C-N 3.33Å; W198-L201 PolarHBondContact O-N 3.45Å; W198-T202 PolarHBondContact O-N 3.43Å; W198-T202 PolarHBondContact O-OG1 2.92Å
199D53.4Low49.7Very low138 Ų138104.9 Ų104.974%0.73858%0.584SS**Hα-helixtrans-68.4-32172.8-73.6-53.5000112.1N197N197-D199 VanDerWaalsContact C-N 3.31Å; N197-D199 PolarHBondContact O-N 3.41Å
200H48.8Very low49.2Very low143 Ų143111 Ų11166%0.66261%0.614SS**Hα-helixtrans-79.6-23.2178-66.8103.9000113.7N197 W198N197-H200 PolarHBondContact O-N 2.84Å; W198-H200 VanDerWaalsContact C-N 3.33Å
201L44.5Very low48.5Very low123 Ų123123.9 Ų123.964%0.64466%0.655SS**Hα-helixtrans-90.9-19.5-179.3-68.4170.3000113.6N197 W198N197-L201 WeakPolarHBondContact O-CG 3.24Å; N197-L201 PolarHBondContact O-N 3.33Å; W198-L201 PolarHBondContact O-N 3.45Å
202T48.6Very low48Very low103 Ų103126.9 Ų126.963%0.63266%0.662SS**Hα-helixtrans-88.8-19176.3-46.80000112.1W198 S204W198-T202 PolarHBondContact O-N 3.43Å; W198-T202 PolarHBondContact O-OG1 2.92Å; T202-S204 PolarHBondContact O-N 3.24Å; T202-S204 VanDerWaalsContact O-N 3.12Å
203G44.2Very low47.8Very low55 Ų55126.2 Ų126.257%0.56767%0.668SS**SBendtrans-79.678.7165.600000111.6S205G203-S205 PolarHBondContact O-N 3.42Å
204S40.3Very low47.4Very low111 Ų111131 Ų13178%0.77669%0.686SS**  trans-53.1110.4170.9-70.90000110.8T202T202-S204 PolarHBondContact O-N 3.24Å; T202-S204 VanDerWaalsContact O-N 3.12Å
205S45Very low46.9Very low108 Ų108132.6 Ų132.676%0.75570%0.695SS**  trans-69.4144.8159.5-169.10000109.1G203 S207G203-S205 PolarHBondContact O-N 3.42Å; S205-S207 PolarHBondContact OG-N 3.49Å
206P41.5Very low46.2Very low115 Ų115129.8 Ų129.875%0.74770%0.695SS**  -127.9126.8121.529.4-16.8000111.9
207S38.9Very low45.4Very low96 Ų96133.6 Ų133.667%0.67172%0.715SS**  47.4102.1129.2-73.40000119.3S205S205-S207 PolarHBondContact OG-N 3.49Å
208S44.2Very low44.8Very low104 Ų104137.6 Ų137.673%0.72774%0.737SS**  47.1124.6116.4650000120.9
209R42.1Very low44.3Very low227 Ų227136.2 Ų136.286%0.85775%0.748SS**  trans90.9121.6138.2-85.3-174.3175.9169.7-0.2120
210L43.9Very low43.6Very low146 Ų146136 Ų13676%0.76475%0.749SS**  trans74.697.7138.6-62167.5000117.5
211Y40.5Very low43.1Very low301 Ų301135.4 Ų135.4100%1.1876%0.756SS**  -165.3089-117.5-92.8000109.7

Retrieved 211 of 211 residues in 48.4 ms (Link to these results)