A0A5K4F1U0_SCHMA Loading...

Cut-like 1 (Ctl1)

AlphaFold DB , UniProt , Accession A0A5K4F1U0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,251 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
1M31.1Very low31.1Very low228 Ų228128.2 Ų128.2100%1.12370%0.7SS**  072.40-71.5-56.9-174.500111.5
2C28Very low31.4Very low104 Ų104124.2 Ų124.270%0.70368%0.682SS**  cis-141.1104.4-30.6-89.60000105
3T28.8Very low31.6Very low109 Ų109118.4 Ų118.467%0.66966%0.656SS**  71113109.9540000112.5
4L26.8Very low31.9Very low145 Ų145113.3 Ų113.376%0.75964%0.637SS**  58.8132.289.1-57.8171.1000110.9
5E28.5Very low32Very low124 Ų124117.5 Ų117.558%0.57965%0.649SS**  cis-173.7166.85.8-125.7-177.6156.900109.6
6K31.5Very low32Very low161 Ų161115.3 Ų115.370%0.765%0.645SS**  trans59.5168.8144.1-73.7170.4-178.5137.50119.1
7S30.2Very low32Very low80 Ų80117.6 Ų117.656%0.55965%0.654SS**  cis-161.6175.4-36.653.90000110
8D31.5Very low32Very low132 Ų132115.7 Ų115.771%0.70666%0.655SS**  trans66121.6157.7-44.7-44.7000119.3
9L34.6Very low31.9Very low154 Ų154117.3 Ų117.381%0.80666%0.66SS**  cis68.3159.148.8-8481.7000114.3
10P36.2Very low31.8Very low103 Ų103118.1 Ų118.167%0.66966%0.661SS**  cis-137.7-140.9-30.734-17.2000115.8
11V34.6Very low31.6Very low70 Ų70119.4 Ų119.442%0.42467%0.667SS.*  trans103.5159.9152.6-153.70000118.6T1126 N1127V11-T1126 VanDerWaalsContact C-CB 3.47Å; V11-T1126 VanDerWaalsContact C-CG2 3.44Å; V11-T1126 WeakPolarHBondContact O-CG2 3.37Å; V11-N1127 HydrophobicContact CG1-CB 3.53Å; V11-N1127 WeakPolarHBondContact CG1-O 3.44Å
12T34.4Very low31.6Very low80 Ų80113 Ų11349%0.49164%0.644SS.*  trans-119.1-80.6-15774.70000124.4T1126 N1127T12-T1126 VanDerWaalsContact C-CA 3.46Å; T12-T1126 VanDerWaalsContact N-CB 3.29Å; T12-T1126 WeakPolarHBondContact O-CG2 3.45Å; T12-N1127 WeakPolarHBondContact OG1-CB 3.28Å; T12-N1127 PolarHBondContact OG1-OD1 3.5Å
13S34.4Very low31.8Very low49 Ų49113.8 Ų113.834%0.34365%0.646SS.*  trans-159171.6-141.470.20000123.6T956S13-T956 PolarHBondContact O-N 3.08Å
14A35.3Very low31.7Very low47 Ų47115.8 Ų115.839%0.38865%0.651SS.*  trans96.4156.6154.900000120.2A955A14-A955 HydrophobicContact CB-CB 3.96Å
15H34.6Very low32Very low176 Ų176113.4 Ų113.482%0.81565%0.647SS**  cis-172.8177.6-31.9-163.3-99.7000111.3
16S31.4Very low32Very low83 Ų83119 Ų11958%0.5866%0.663SS**  trans88.2132.6149.6-69.70000124.5
17I31.4Very low31.9Very low155 Ų155115.6 Ų115.680%0.79566%0.664SS**  trans67.6145.6139-64.1167.3000119
18A32.4Very low32Very low82 Ų82116.7 Ų116.768%0.67867%0.672SS**  cis-176.1-160-31.100000108.6
19I29.8Very low32Very low146 Ų146117 Ų11775%0.74967%0.673SS**  trans87.7105.4152.9-69.7167.6000120.3
20I29.9Very low31.9Very low134 Ų134117.4 Ų117.469%0.68767%0.673SS**  trans70.4119.6133.5-62.2-178.3000122.5
21N29.3Very low31.7Very low145 Ų145118.1 Ų118.178%0.77567%0.671SS**  26.5159.3128.2-36.8-31.2000121.2
22S30.6Very low31.7Very low93 Ų93124 Ų12465%0.6569%0.685SS**  cis-163.9-177.823.973.50000114.2
23T32.2Very low31.6Very low122 Ų122127.8 Ų127.875%0.74870%0.698SS**  trans58.6172.7153.655.80000121.4
24I27.2Very low31.6Very low150 Ų150132.2 Ų132.277%0.76972%0.717SS**  -159.6168.9-68.8-116.2169.1000110.7
25S32.3Very low31.6Very low96 Ų96138.6 Ų138.667%0.67174%0.736SS**  trans72.8136.4174.2-72.60000116.7
26R27.9Very low31.5Very low241 Ų241135.9 Ų135.991%0.90973%0.727SS**  72.6131.955.2-74.1178.4167.5164.2-6.4111.7
27A30.2Very low31.6Very low89 Ų89140 Ų14074%0.73674%0.737SS**  cis-159.5-175.318.800000114.8
28S32.2Very low31.6Very low104 Ų104137.2 Ų137.273%0.72773%0.731SS**  trans75.1114.2143.7-67.80000125.1
29L31Very low31.6Very low139 Ų139139.2 Ų139.273%0.72874%0.735SS**  80.1131.8122.6-95.771.2000125.8
30M32.6Very low31.9Very low162 Ų162140 Ų14080%0.79873%0.733SS**  trans62.5112.5139.7-75.7176.317400121.3
31D32.9Very low32.1Very low117 Ų117139.2 Ų139.263%0.62673%0.73SS**  81.4113.468.3-175.450.2000114.6
32R33.6Very low32.3Very low193 Ų193139.9 Ų139.973%0.72873%0.734SS**  -171.6149.6115.9-102.2175.8177.1-152.9-6.5114
33Q32.6Very low32.5Very low161 Ų161141.5 Ų141.575%0.75274%0.742SS**  trans-96.9159.7174.2-54.2159.2-67.600110.8
34N34.5Very low32.7Very low141 Ų141140.8 Ų140.875%0.75474%0.742SS**  173.8149.9115.1-100.5-64.7000115.6
35K34Very low32.9Very low181 Ų181138.1 Ų138.179%0.78774%0.737SS**  trans66.1148.3155.1-74.3-171.1170.2-175.20117.7
36L32.5Very low33.1Very low120 Ų120139.5 Ų139.563%0.62873%0.732SS**  cis-153.6147-3.5-159.569.8000111
37H34.5Very low33.4Very low168 Ų168134.8 Ų134.878%0.77872%0.72SS**  trans59.7164.7163.8-69.4-39.3000118.5
38S32.1Very low33.3Very low97 Ų97134.3 Ų134.368%0.67871%0.711SS**  cis-164168.5-38.8-163.90000109.4
39V32.3Very low33.1Very low125 Ų125138 Ų13876%0.75871%0.714SS**  trans63.180.2166.9-161.60000118.2
40K35.3Very low33.1Very low163 Ų163138.6 Ų138.671%0.70972%0.716SS**  42.1125.3111-80.1-174.1131.2-67.80122.8
41D34.3Very low33Very low116 Ų116137.3 Ų137.362%0.6271%0.713SS**  trans92.3117130.7-54.4-13.1000121.2
42D33.5Very low32.8Very low160 Ų160136.4 Ų136.486%0.85672%0.715SS**  trans65.6157.1158.9-68.5-22.8000119.6
43P35.1Very low32.7Very low126 Ų126136.6 Ų136.682%0.81872%0.721SS**  cis-124.5-156.511.344.8-30000115.3
44S36.3Very low32.6Very low108 Ų108136.1 Ų136.176%0.75572%0.724SS**  trans-91.5150.4-164.757.10000117.5
45S32.1Very low32.5Very low93 Ų93141 Ų14165%0.6573%0.732SS**  trans69.2109.4148.6-164.10000119
46H35.8Very low32.3Very low126 Ų126142.1 Ų142.158%0.58374%0.737SS**  -163.8-162.7103-110.9-77.4000113.6
47H33.2Very low32.2Very low142 Ų142140.8 Ų140.866%0.65774%0.737SS**  trans-74.1-179.5-170-98.5-141000114
48C28.9Very low32Very low79 Ų79142.8 Ų142.853%0.53474%0.739SS.*  cis-162.3171.2-33.5-1610000110.7
49F28.1Very low32.2Very low182 Ų182147.7 Ų147.780%0.79875%0.749SS**  trans64.8144.8174.7-58.5-77.4000115.3
50I31.8Very low32.5Very low150 Ų150149.2 Ų149.277%0.76975%0.753SS**  -149.614252.8-83.2174.9000113.2
51N29.2Very low32.8Very low136 Ų136152.8 Ų152.873%0.72776%0.762SS**  trans33.1110.6153.9-67.4-23.4000123.7
52S28.7Very low33.1Very low97 Ų97149.2 Ų149.268%0.67875%0.745SS**  61.6118.3122.1760000121.7
53K32.6Very low34.2Very low197 Ų197144.9 Ų144.986%0.85773%0.727SS**  -168.6121117-100.5152.4-173.31740112.6
54N29.2Very low34.8Very low151 Ų151142.7 Ų142.781%0.80772%0.715SS**  trans22.7100.8158.1-71.6-37.7000120.7
55R32.5Very low35.8Very low245 Ų245141.3 Ų141.393%0.92571%0.705SS**  trans-140.895.3141.9-75.4-161.4176.2179.20.7112.8S57R55-S57 PolarHBondContact O-N 3.36Å
56K30.9Very low37.1Very low204 Ų204140.5 Ų140.589%0.88769%0.692SS**  trans-69.7118.1164.7-66.1173.8179.7173.10108.9
57S30.9Very low38Very low91 Ų91141.3 Ų141.364%0.63669%0.691SS**  trans-162.6134.8172.3-94.10000116.4R55R55-S57 PolarHBondContact O-N 3.36Å
58Y29.7Very low39.3Very low210 Ų210137.9 Ų137.982%0.82467%0.672SS**  trans49.666.4155.3-51.2-59.5000120
59K35.4Very low41Very low200 Ų200138.5 Ų138.587%0.8767%0.669SS**SBendtrans-99.7152.3136.3-69.5-175.3178.3-179.80108.9
60N39.7Very low42.9Very low158 Ų158135.7 Ų135.785%0.84566%0.657SS**  trans63.765-175.5-59.1-16.4000116.4
61R40.1Very low44.6Very low238 Ų238130.1 Ų130.190%0.89863%0.628SS**PPolyproline II helixtrans-72.1126.3158.8-161.7-179.1-156.4-137.94.6108.8
62P41.1Very low46.3Very low40 Ų40128.5 Ų128.526%0.2662%0.619SS.*PPolyproline II helixtrans-59.4151.7175.7-26.336.6000112.8M66 Y67P62-M66 HydrophobicContact CB-CB 4.19Å; P62-M66 HydrophobicContact CB-CE 4.09Å; P62-M66 HydrophobicContact CB-SD 3.8Å; P62-M66 HydrophobicContact CG-SD 4.31Å; P62-Y67 HydrophobicContact CG-CD2 4.4Å
63S57.4Low48.2Very low69 Ų69128.9 Ų128.948%0.48361%0.609SS.*PPolyproline II helixtrans-52.9149.8159.2171.30000110S65 M66 Y67S63-S65 VanDerWaalsContact C-N 3.25Å; S63-S65 PolarHBondContact O-N 2.98Å; S63-S65 PolarHBondContact OG-N 3.22Å; S63-S65 PolarHBondContact OG-OG 2.61Å; S63-M66 CarbonylContact O-C 3.4Å; S63-M66 WeakPolarHBondContact O-CA 3.25Å; S63-M66 PolarHBondContact O-N 3.45Å; S63-Y67 PolarHBondContact O-N 3.47Å
64S47.7Very low49.9Very low81 Ų81127.5 Ų127.557%0.56660%0.598SS**Hα-helixtrans-53.2-44176.5-168.50000111.6M66 Y67 R68S64-M66 PolarHBondContact O-N 2.75Å; S64-Y67 PolarHBondContact O-N 2.87Å; S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.24Å
65S56.9Low51.8Low79 Ų79122.6 Ų122.655%0.55258%0.575SS**Hα-helixtrans-64.5-38.2175.359.60000112.8S63 Y67 L69S63-S65 VanDerWaalsContact C-N 3.25Å; S63-S65 PolarHBondContact O-N 2.98Å; S63-S65 PolarHBondContact OG-N 3.22Å; S63-S65 PolarHBondContact OG-OG 2.61Å; S65-Y67 VanDerWaalsContact C-N 3.34Å; S65-L69 WeakPolarHBondContact O-CB 3.32Å; S65-L69 PolarHBondContact O-N 3.06Å
66M59.5Low53.6Low75 Ų75113 Ų11337%0.36955%0.552SS.*Hα-helixtrans-73.7-25176.9-161.9-127.6-64.300112.6P62 S63 S64 K70P62-M66 HydrophobicContact CB-CB 4.19Å; P62-M66 HydrophobicContact CB-CE 4.09Å; P62-M66 HydrophobicContact CB-SD 3.8Å; P62-M66 HydrophobicContact CG-SD 4.31Å; S63-M66 CarbonylContact O-C 3.4Å; S63-M66 WeakPolarHBondContact O-CA 3.25Å; S63-M66 PolarHBondContact O-N 3.45Å; S64-M66 PolarHBondContact O-N 2.75Å; M66-K70 VanDerWaalsContact O-CB 3.28Å; M66-K70 WeakPolarHBondContact O-CB 3.34Å; M66-K70 WeakPolarHBondContact O-CG 3.08Å; M66-K70 PolarHBondContact O-N 3.01Å; M66-K70 VanDerWaalsContact O-N 3.09Å; M66-K70 HydrophobicContact SD-CD 4.09Å; M66-K70 WeakPolarHBondContact SD-CE 3.16Å; M66-K70 PolarHBondContact SD-NZ 3.36Å; M66-K70 VanDerWaalsContact SD-NZ 3.44Å
67Y54.9Low55.2Low144 Ų144108.5 Ų108.557%0.56553%0.53SS*.Hα-helixtrans-74.9-50.1170.9-166.3-104.8000110.8P62 S63 S64 S65 L69 K70 I71P62-Y67 HydrophobicContact CG-CD2 4.4Å; S63-Y67 PolarHBondContact O-N 3.47Å; S64-Y67 PolarHBondContact O-N 2.87Å; S65-Y67 VanDerWaalsContact C-N 3.34Å; Y67-L69 VanDerWaalsContact C-N 3.34Å; Y67-L69 PolarHBondContact O-N 3.15Å; Y67-K70 PolarHBondContact O-N 3.07Å; Y67-K70 VanDerWaalsContact O-N 3.14Å; Y67-I71 HydrophobicContact CD1-CD1 3.81Å; Y67-I71 HydrophobicContact CE1-CD1 3.52Å; Y67-I71 HydrophobicContact CE1-CG1 4.48Å; Y67-I71 PolarHBondContact O-N 3.26Å
68R59.6Low56.6Low69 Ų69107 Ų10726%0.2651%0.512SS..Hα-helixtrans-52-49.6171.8-73.3177.7167.2173.9-6.9110.8S64 K70 I71 L72 E688 N692 L695S64-R68 WeakPolarHBondContact O-CB 3.47Å; S64-R68 WeakPolarHBondContact O-CG 3.28Å; S64-R68 PolarHBondContact O-N 3.24Å; R68-K70 PolarHBondContact O-N 2.88Å; R68-I71 PolarHBondContact O-N 2.8Å; R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.05Å; R68-E688 IonicContact NH2-OE1 3.75Å; R68-N692 PolarHBondContact NH2-OD1 3.49Å; R68-L695 HydrophobicContact CG-CD1 3.99Å; R68-L695 HydrophobicContact CG-CD2 4.36Å
69L64.9Low58.2Low92 Ų92101.2 Ų101.248%0.48250%0.495SS..Hα-helixtrans-67.2-33.1178.5-17364000113.5S65 Y67 K73S65-L69 WeakPolarHBondContact O-CB 3.32Å; S65-L69 PolarHBondContact O-N 3.06Å; Y67-L69 VanDerWaalsContact C-N 3.34Å; Y67-L69 PolarHBondContact O-N 3.15Å; L69-K73 HydrophobicContact CD1-CG 4.36Å; L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 2.76Å
70K68.2Low59.7Low123 Ų12397.6 Ų97.654%0.53548%0.479SS..Hα-helixtrans-69.8-33.4173.2-84.1177.2176.2179.10112.6M66 Y67 R68 R74M66-K70 VanDerWaalsContact O-CB 3.28Å; M66-K70 WeakPolarHBondContact O-CB 3.34Å; M66-K70 WeakPolarHBondContact O-CG 3.08Å; M66-K70 PolarHBondContact O-N 3.01Å; M66-K70 VanDerWaalsContact O-N 3.09Å; M66-K70 HydrophobicContact SD-CD 4.09Å; M66-K70 WeakPolarHBondContact SD-CE 3.16Å; M66-K70 PolarHBondContact SD-NZ 3.36Å; M66-K70 VanDerWaalsContact SD-NZ 3.44Å; Y67-K70 PolarHBondContact O-N 3.07Å; Y67-K70 VanDerWaalsContact O-N 3.14Å; R68-K70 PolarHBondContact O-N 2.88Å; K70-R74 WeakPolarHBondContact O-CB 3.41Å; K70-R74 PolarHBondContact O-N 2.81Å; K70-R74 VanDerWaalsContact O-N 3.15Å
71I68Low60.7Low33 Ų3396 Ų9617%0.16946%0.462CS..Hα-helixtrans-66.6-53.2171-70.1170.6000109.3Y67 R68 K73 R74 C75Y67-I71 HydrophobicContact CD1-CD1 3.81Å; Y67-I71 HydrophobicContact CE1-CD1 3.52Å; Y67-I71 HydrophobicContact CE1-CG1 4.48Å; Y67-I71 PolarHBondContact O-N 3.26Å; R68-I71 PolarHBondContact O-N 2.8Å; I71-K73 PolarHBondContact O-N 3.11Å; I71-R74 CarbonylContact O-C 3.53Å; I71-R74 WeakPolarHBondContact O-CA 3.04Å; I71-R74 WeakPolarHBondContact O-CB 2.97Å; I71-R74 PolarHBondContact O-N 3.09Å; I71-C75 PolarHBondContact O-N 3.47Å; I71-C75 PolarHBondContact O-SG 3.28Å; I71-C75 VanDerWaalsContact O-SG 3.32Å
72L65.1Low61.7Low102 Ų10290.4 Ų90.453%0.53445%0.449SS..Hα-helixtrans-55.9-47.9178.1-69.8166.4000112.5R68 R74 C75 G76R68-L72 WeakPolarHBondContact O-CG 3.47Å; R68-L72 PolarHBondContact O-N 3.05Å; L72-R74 PolarHBondContact O-N 2.66Å; L72-C75 PolarHBondContact O-N 3.05Å; L72-G76 PolarHBondContact O-N 2.64Å
73K69Low62.5Low105 Ų10592.1 Ų92.146%0.45746%0.455SS..Hα-helixtrans-70.2-2.9173.7-69.6-163.1177-163.30114.3L69 I71 R77 F1157L69-K73 HydrophobicContact CD1-CG 4.36Å; L69-K73 WeakPolarHBondContact O-CB 3.46Å; L69-K73 WeakPolarHBondContact O-CG 3.5Å; L69-K73 PolarHBondContact O-N 2.76Å; I71-K73 PolarHBondContact O-N 3.11Å; K73-R77 PolarHBondContact O-NE 3.21Å; K73-R77 PolarHBondContact O-NH2 2.85Å; K73-R77 VanDerWaalsContact O-NH2 3.08Å; K73-F1157 HydrophobicContact CD-CE2 4.37Å
74R68.1Low61.9Low168 Ų16890 Ų9063%0.63445%0.445SS*.Hα-helixtrans-98.7-46168.3-171.8172.4-176.4133.73.4110.9K70 I71 L72 R77 H78K70-R74 WeakPolarHBondContact O-CB 3.41Å; K70-R74 PolarHBondContact O-N 2.81Å; K70-R74 VanDerWaalsContact O-N 3.15Å; I71-R74 CarbonylContact O-C 3.53Å; I71-R74 WeakPolarHBondContact O-CA 3.04Å; I71-R74 WeakPolarHBondContact O-CB 2.97Å; I71-R74 PolarHBondContact O-N 3.09Å; L72-R74 PolarHBondContact O-N 2.66Å; R74-R77 PolarHBondContact O-N 2.88Å; R74-H78 PolarHBondContact O-N 3.11Å
75C68.2Low61.9Low48 Ų4893 Ų9332%0.32445%0.449SS..Hα-helixtrans-55.7-50.9173.9-620000111.1I71 L72 R77 H78 L79I71-C75 PolarHBondContact O-N 3.47Å; I71-C75 PolarHBondContact O-SG 3.28Å; I71-C75 VanDerWaalsContact O-SG 3.32Å; L72-C75 PolarHBondContact O-N 3.05Å; C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.48Å; C75-H78 PolarHBondContact O-N 3.47Å; C75-H78 VanDerWaalsContact O-N 3.11Å; C75-L79 WeakPolarHBondContact O-CB 2.81Å; C75-L79 PolarHBondContact O-N 3.5Å
76G70.8Confident61.4Low43 Ų4394.6 Ų94.644%0.44345%0.446SS..Hα-helixtrans-61.8-29.9178.500000114.5L72 K80L72-G76 PolarHBondContact O-N 2.64Å; G76-K80 PolarHBondContact O-N 3.05Å
77R63.6Low60.6Low111 Ų11196.8 Ų96.842%0.41946%0.457SS..Hα-helixtrans-81.4-29.6174.2-80.4-175.5-67.2176.53.9113.4K73 R74 C75 R81K73-R77 PolarHBondContact O-NE 3.21Å; K73-R77 PolarHBondContact O-NH2 2.85Å; K73-R77 VanDerWaalsContact O-NH2 3.08Å; R74-R77 PolarHBondContact O-N 2.88Å; C75-R77 VanDerWaalsContact C-N 3.27Å; C75-R77 PolarHBondContact O-N 3.48Å; R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.19Å
78H60.9Low59.8Low59 Ų5994.1 Ų94.127%0.27345%0.453SS..Hα-helixtrans-68-45.3167.8-92.9-111.4000110.6R74 C75 K80 R81 L82R74-H78 PolarHBondContact O-N 3.11Å; C75-H78 PolarHBondContact O-N 3.47Å; C75-H78 VanDerWaalsContact O-N 3.11Å; H78-K80 PolarHBondContact O-N 2.99Å; H78-R81 PolarHBondContact O-N 3.26Å; H78-R81 VanDerWaalsContact O-N 3.1Å; H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.27Å
79L64.3Low59Low88 Ų8895.3 Ų95.346%0.46147%0.467SS..Hα-helixtrans-58.1-46.5175.7-16570.8000111.5C75 R81 L82 I83C75-L79 WeakPolarHBondContact O-CB 2.81Å; C75-L79 PolarHBondContact O-N 3.5Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3Å; L79-L82 PolarHBondContact O-N 2.89Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.33Å
80K66.9Low57.6Low124 Ų12497.5 Ų97.554%0.53948%0.479SS..Hα-helixtrans-59.7-36.7175.1-162.1-170.5178.8-162.20112.9G76 H78 G84 T1153G76-K80 PolarHBondContact O-N 3.05Å; H78-K80 PolarHBondContact O-N 2.99Å; K80-G84 PolarHBondContact O-N 3.15Å; K80-T1153 PolarHBondContact NZ-OG1 3.25Å
81R59.9Low55.9Low125 Ų12599.7 Ų99.747%0.47249%0.492SS..Hα-helixtrans-72.6-36.1174.5-73.6-170.9-168.1131.4-1.4113.4R77 H78 L79 I83 G84 H85 M1154R77-R81 WeakPolarHBondContact O-CG 3.48Å; R77-R81 PolarHBondContact O-N 3.19Å; H78-R81 PolarHBondContact O-N 3.26Å; H78-R81 VanDerWaalsContact O-N 3.1Å; L79-R81 VanDerWaalsContact C-N 3.3Å; L79-R81 PolarHBondContact O-N 3Å; R81-I83 PolarHBondContact O-N 3.28Å; R81-G84 PolarHBondContact O-N 3.28Å; R81-H85 WeakPolarHBondContact O-CB 3.47Å; R81-H85 PolarHBondContact O-N 3.3Å; R81-M1154 VanDerWaalsContact NH2-CE 3.32Å
82L60.6Low54.3Low121 Ų121104.2 Ų104.263%0.63452%0.521SS*.Hα-helixtrans-68.8-24.9176.7-123.7149.9000112H78 L79 K86H78-L82 WeakPolarHBondContact O-CB 3.39Å; H78-L82 PolarHBondContact O-N 3.27Å; L79-L82 PolarHBondContact O-N 2.89Å; L79-L82 VanDerWaalsContact O-N 3.16Å; L82-K86 WeakPolarHBondContact O-CB 3.44Å
83I57.6Low52.9Low75 Ų75105.1 Ų105.139%0.38553%0.53SS..Hα-helixtrans-78.3-46.8169.3-66.2163.3000110.5L79 R81 K86 M87L79-I83 HydrophobicContact CG-CD1 4.16Å; L79-I83 WeakPolarHBondContact O-CG1 3.36Å; L79-I83 PolarHBondContact O-N 3.33Å; R81-I83 PolarHBondContact O-N 3.28Å; I83-K86 CarbonylContact O-C 3.54Å; I83-K86 PolarHBondContact O-N 3.36Å; I83-M87 PolarHBondContact O-N 2.9Å
84G46.4Very low51.1Low26 Ų26108.5 Ų108.527%0.26855%0.546SS..Hα-helixtrans-62.4-53.9179.600000114.1K80 R81 K86 M87 D88K80-G84 PolarHBondContact O-N 3.15Å; R81-G84 PolarHBondContact O-N 3.28Å; G84-K86 PolarHBondContact O-N 3.02Å; G84-M87 PolarHBondContact O-N 3.19Å; G84-D88 PolarHBondContact O-N 3.2Å
85H47.5Very low49.4Very low142 Ų142107.2 Ų107.266%0.65755%0.547SS*.THydrogen-bonded Turntrans-68.38.6174.1-82.6-10.5000114.3R81 D88 V89R81-H85 WeakPolarHBondContact O-CB 3.47Å; R81-H85 PolarHBondContact O-N 3.3Å; H85-D88 IonicContact ND1-OD2 2.66Å; H85-D88 PolarHBondContact ND1-OD2 2.82Å; H85-V89 WeakPolarHBondContact O-CG2 3.47Å
86K45.5Very low47.7Very low113 Ų113112.6 Ų112.649%0.49157%0.572SS.*THydrogen-bonded Turntrans-122.224.9168-148.2-170.8177.9-1660112L82 I83 G84L82-K86 WeakPolarHBondContact O-CB 3.44Å; I83-K86 CarbonylContact O-C 3.54Å; I83-K86 PolarHBondContact O-N 3.36Å; G84-K86 PolarHBondContact O-N 3.02Å
87M43.1Very low46.2Very low121 Ų121117 Ų11760%0.59659%0.586SS**THydrogen-bonded Turntrans-124-42.6164.2-73.117515500109I83 G84 V89I83-M87 PolarHBondContact O-N 2.9Å; G84-M87 PolarHBondContact O-N 3.19Å; M87-V89 PolarHBondContact O-N 3.38Å
88D38.9Very low44.9Very low89 Ų89119.3 Ų119.348%0.47661%0.606SS.*THydrogen-bonded Turntrans-63.914.2177.1-47.3-40.4000116.2G84 H85G84-D88 PolarHBondContact O-N 3.2Å; H85-D88 IonicContact ND1-OD2 2.66Å; H85-D88 PolarHBondContact ND1-OD2 2.82Å
89V41.3Very low43.6Very low93 Ų93125.2 Ų125.256%0.56463%0.634SS**THydrogen-bonded Turntrans-132-16.6-166.6-177.20000114.4H85 M87H85-V89 WeakPolarHBondContact O-CG2 3.47Å; M87-V89 PolarHBondContact O-N 3.38Å
90D35.7Very low42.4Very low138 Ų138128.7 Ų128.774%0.73865%0.653SS**SBendtrans-111.915.1-178-67.5-52.3000112.8
91E33.6Very low40.9Very low169 Ų169130.8 Ų130.879%0.7967%0.665SS**SBendtrans-116.718.2-168.8-158.5165.6-146.600114.3
92T34.4Very low39.6Very low128 Ų128132 Ų13279%0.78568%0.681SS**SBendtrans-129.49.3-175.957.20000115.5
93V34.4Very low38.6Very low121 Ų121133.6 Ų133.673%0.73369%0.69SS**SBendtrans-143.480.9178.9-172.30000110.9
94F31.8Very low37.3Very low177 Ų177137.2 Ų137.278%0.77671%0.71SS**SBendtrans-173133.4144.4-105.9-70.5000110
95E32.6Very low36.4Very low141 Ų141141 Ų14166%0.65973%0.732SS**  trans8.3134159.5-67.3142.3-160.600119.5
96N31.8Very low35.4Very low161 Ų161140 Ų14086%0.86174%0.74SS**  cis49.467.47.9-85.615.6000115.7
97N39.1Very low34.6Very low136 Ų136143.6 Ų143.673%0.72776%0.756SS**  trans-161154.2145-89.1-45.7000108.5
98D37.4Very low33.9Very low159 Ų159142.6 Ų142.685%0.8576%0.761SS**  trans-82.2165.5-155-58-77.6000117.1
99E33.9Very low33.4Very low182 Ų182143.8 Ų143.885%0.8577%0.772SS**  trans-56.6140.2173.5-52.8173.5144.400111.9
100N38.2Very low32.9Very low161 Ų161146.4 Ų146.486%0.86178%0.782SS**  trans-161.9153.4150.5-105.3-75.2000111.5
101E36.4Very low32.6Very low169 Ų169145 Ų14579%0.7978%0.783SS**  trans-56.8151.3-160.8-59.8169.8148.500118.1
102D32.4Very low32.3Very low150 Ų150142.3 Ų142.380%0.80278%0.782SS**  trans23.9116.2138.7-57.3-20.3000119.7
103D38.4Very low32.2Very low154 Ų154141.5 Ų141.582%0.82478%0.779SS**  -166.9170.398.3-141.2-26.2000113.4
104N30.4Very low32Very low151 Ų151141.3 Ų141.381%0.80778%0.778SS**  trans-79.2120.8-179.5-70.1-95.1000112.9
105C28.3Very low31.9Very low107 Ų107139.4 Ų139.472%0.72378%0.775SS**  trans-149.6106147.9-146.60000114
106S26.5Very low31.8Very low120 Ų120138.7 Ų138.784%0.83978%0.78SS**  trans-78.4119.6165.551.70000109.8
107F29.2Very low31.7Very low188 Ų188142.4 Ų142.483%0.82578%0.782SS**  trans-113.5117.3169.4-117.2-88.6000112.4
108S27.5Very low31.4Very low101 Ų101144.5 Ų144.571%0.70679%0.793SS**  trans-69.5149.6-177.7-175.50000111.7
109T28.2Very low30.9Very low113 Ų113141.2 Ų141.269%0.69378%0.782SS**SBendtrans-56.6151.415651.60000110.1
110N30.1Very low30.7Very low148 Ų148138.3 Ų138.379%0.79178%0.782SS**SBendtrans8362.5177.8-43.9-40.5000117.7
111S29.5Very low30.5Very low108 Ų108135.6 Ų135.676%0.75578%0.775SS**  175.9126.3127.542.60000113.7
112C28.1Very low30.6Very low114 Ų114131.3 Ų131.377%0.7776%0.764SS**  trans-162.285.4152-159.50000112.1T114C112-T114 PolarHBondContact O-N 2.84Å
113P31.3Very low31.1Very low110 Ų110129.2 Ų129.271%0.71476%0.761SS**  trans-90.982.9171.334.9-30.8000111.2
114T31.7Very low31.5Very low117 Ų117127.5 Ų127.572%0.71876%0.756SS**  trans-13395.3172.8-57.90000108.4C112C112-T114 PolarHBondContact O-N 2.84Å
115I29.4Very low32.1Very low138 Ų138128.5 Ų128.571%0.70875%0.75SS**  72.68871.4-58.3172.4000112.4
116T31.1Very low32.9Very low126 Ų126129.9 Ų129.977%0.77375%0.749SS**  53.375126.5-41.30000118.1
117R29.7Very low34.4Very low238 Ų238130.1 Ų130.190%0.89874%0.737SS**  trans178.299.1134.3-98.3162.1-168.9-151.15.1110.9
118L31.6Very low35.8Very low181 Ų181125.3 Ų125.395%0.94872%0.717SS**  trans-171126.5151.3-106.2159.3000108
119S28.1Very low37.4Very low89 Ų89124.1 Ų124.162%0.62271%0.708SS**  trans-99.1144.9-16948.60000113.2S121S119-S121 PolarHBondContact O-N 3.24Å
120S29.4Very low39.5Very low121 Ų121127.1 Ų127.185%0.84671%0.707SS**SBendtrans60.340.1148.960.40000119.7
121S32.4Very low41.2Very low104 Ų104123.5 Ų123.573%0.72769%0.685SS**  trans-162.255.217052.10000116.8S119S119-S121 PolarHBondContact O-N 3.24Å
122S38.9Very low43.3Very low79 Ų79121.9 Ų121.955%0.55267%0.668SS**  trans-154.620.4177.3-91.10000119.4T124 Y125 L126S122-T124 PolarHBondContact O-N 2.81Å; S122-Y125 PolarHBondContact O-N 3.32Å; S122-L126 PolarHBondContact O-N 3.44Å
123S44.1Very low45.6Very low106 Ų106120.7 Ų120.774%0.74166%0.66SS**Hα-helixtrans-56.7-47.6176.1-173.30000112.5Y125 L126 H127S123-Y125 PolarHBondContact O-N 3.06Å; S123-L126 PolarHBondContact O-N 2.79Å; S123-H127 PolarHBondContact O-N 3.18Å; S123-H127 VanDerWaalsContact O-N 3.12Å
124T46.9Very low47.8Very low118 Ų118119.9 Ų119.972%0.72465%0.648SS**Hα-helixtrans-63.1-41.1-178.5-22.10000112.6S122 H127 Q128S122-T124 PolarHBondContact O-N 2.81Å; T124-H127 PolarHBondContact O-N 3.25Å; T124-Q128 PolarHBondContact O-N 3.32Å
125Y42.1Very low49.8Very low173 Ų173121 Ų12168%0.67864%0.64SS**Hα-helixtrans-66.1-41.8-179.7-121.4-86.7000111.8S122 S123 H127 Q128 C129S122-Y125 PolarHBondContact O-N 3.32Å; S123-Y125 PolarHBondContact O-N 3.06Å; Y125-H127 VanDerWaalsContact C-N 3.31Å; Y125-H127 PolarHBondContact O-N 3.18Å; Y125-Q128 PolarHBondContact O-N 3.43Å; Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 PolarHBondContact O-SG 2.98Å
126L45.5Very low51.9Low135 Ų135120.7 Ų120.771%0.70764%0.636SS**Hα-helixtrans-65-36.2176.1-126.7170.9000111.7S122 S123 R130S122-L126 PolarHBondContact O-N 3.44Å; S123-L126 PolarHBondContact O-N 2.79Å; L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.15Å
127H57Low54.3Low125 Ų125121.5 Ų121.558%0.57963%0.629SS**Hα-helixtrans-68.6-43.7174.5-148.3-84.4000112S123 T124 Y125 R130 E131S123-H127 PolarHBondContact O-N 3.18Å; S123-H127 VanDerWaalsContact O-N 3.12Å; T124-H127 PolarHBondContact O-N 3.25Å; Y125-H127 VanDerWaalsContact C-N 3.31Å; Y125-H127 PolarHBondContact O-N 3.18Å; H127-R130 WeakPolarHBondContact O-CB 3.44Å; H127-R130 PolarHBondContact O-N 3.39Å; H127-E131 PolarHBondContact O-N 3.05Å
128Q59.9Low56.7Low88 Ų88114.9 Ų114.941%0.41161%0.611SS.*Hα-helixtrans-63.1-44.4178.5-167.864.45800112.1T124 Y125 R130 E131 N132T124-Q128 PolarHBondContact O-N 3.32Å; Y125-Q128 PolarHBondContact O-N 3.43Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.01Å; Q128-E131 PolarHBondContact O-N 3.4Å; Q128-N132 PolarHBondContact NE2-OD1 3.3Å; Q128-N132 WeakPolarHBondContact O-CB 3.46Å; Q128-N132 PolarHBondContact O-N 2.75Å; Q128-N132 PolarHBondContact O-OD1 2.84Å
129C61.2Low58.7Low75 Ų75110.6 Ų110.651%0.50759%0.588SS.*Hα-helixtrans-60.8-37.7175-72.60000112.2Y125 C133Y125-C129 PolarHBondContact O-N 2.79Å; Y125-C129 PolarHBondContact O-SG 2.98Å; C129-C133 WeakPolarHBondContact O-CB 3.41Å; C129-C133 PolarHBondContact O-N 3.15Å
130R70.9Confident61.3Low177 Ų177113 Ų11367%0.66859%0.588SS**Hα-helixtrans-68.3-42.3176.4-166.4178.4-171.9-174.53111.9L126 H127 Q128 C133 I134L126-R130 WeakPolarHBondContact O-CB 3.48Å; L126-R130 PolarHBondContact O-N 3.15Å; H127-R130 WeakPolarHBondContact O-CB 3.44Å; H127-R130 PolarHBondContact O-N 3.39Å; Q128-R130 VanDerWaalsContact C-N 3.28Å; Q128-R130 PolarHBondContact O-N 3.01Å; R130-C133 PolarHBondContact O-N 3.28Å; R130-I134 HydrophobicContact CG-CD1 4.42Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.31Å; R130-I134 VanDerWaalsContact O-N 3.11Å
131E67.6Low63.8Low71 Ų71111.3 Ų111.333%0.33257%0.569SS.*Hα-helixtrans-67.5-44.1177.4-160-169.3137.700111.8H127 Q128 C133 I134 R135H127-E131 PolarHBondContact O-N 3.05Å; Q128-E131 PolarHBondContact O-N 3.4Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.17Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.09Å; E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.41Å; E131-R135 IonicContact OE1-CZ 3.89Å; E131-R135 IonicContact OE1-NE 2.88Å; E131-R135 PolarHBondContact OE1-NE 3.43Å; E131-R135 IonicContact OE1-NH2 2.72Å; E131-R135 PolarHBondContact OE1-NH2 3.25Å
132N72Confident66.1Low74 Ų74109.4 Ų109.440%0.39655%0.553SS.*Hα-helixtrans-59-41.4175.6-70.51.5000111.4Q128 I134 R135 M136Q128-N132 PolarHBondContact NE2-OD1 3.3Å; Q128-N132 WeakPolarHBondContact O-CB 3.46Å; Q128-N132 PolarHBondContact O-N 2.75Å; Q128-N132 PolarHBondContact O-OD1 2.84Å; N132-I134 PolarHBondContact O-N 3.36Å; N132-R135 PolarHBondContact O-N 3Å; N132-M136 WeakPolarHBondContact O-CB 3.35Å; N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3Å
133C76.1Confident67.9Low89 Ų89111.4 Ų111.460%0.60155%0.553SS**Hα-helixtrans-62.9-39.4174.9-172.70000112.5C129 R130 E131 K137C129-C133 WeakPolarHBondContact O-CB 3.41Å; C129-C133 PolarHBondContact O-N 3.15Å; R130-C133 PolarHBondContact O-N 3.28Å; E131-C133 VanDerWaalsContact C-N 3.3Å; E131-C133 PolarHBondContact O-N 3.17Å; C133-K137 PolarHBondContact O-N 3.07Å
134I77.3Confident69.7Low94 Ų94110.5 Ų110.548%0.48254%0.54SS..Hα-helixtrans-66.3-45.9174.2-68.5164.9000110.9R130 E131 N132 M136 K137 I138R130-I134 HydrophobicContact CG-CD1 4.42Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.31Å; R130-I134 VanDerWaalsContact O-N 3.11Å; E131-I134 PolarHBondContact O-N 2.78Å; E131-I134 VanDerWaalsContact O-N 3.09Å; N132-I134 PolarHBondContact O-N 3.36Å; I134-M136 PolarHBondContact O-N 2.92Å; I134-K137 PolarHBondContact O-N 2.91Å; I134-I138 HydrophobicContact CG2-CD1 3.79Å; I134-I138 HydrophobicContact CG2-CG1 4.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 2.72Å
135R74.9Confident71.3Confident141 Ų141111 Ų11153%0.53254%0.535SS..Hα-helixtrans-57.8-47.7175.9-70.6180-177.4-151.94.9111.2E131 N132 K137 I138 L139E131-R135 WeakPolarHBondContact O-CG 3.49Å; E131-R135 PolarHBondContact O-N 3.41Å; E131-R135 IonicContact OE1-CZ 3.89Å; E131-R135 IonicContact OE1-NE 2.88Å; E131-R135 PolarHBondContact OE1-NE 3.43Å; E131-R135 IonicContact OE1-NH2 2.72Å; E131-R135 PolarHBondContact OE1-NH2 3.25Å; N132-R135 PolarHBondContact O-N 3Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; R135-I138 PolarHBondContact O-N 3.15Å; R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 2.96Å
136M72.9Confident72.8Confident130 Ų130107.2 Ų107.264%0.6452%0.523SS*.Hα-helixtrans-61-37.6177.1-73.4-60.8-73.700112.9N132 I134 L139 K140N132-M136 WeakPolarHBondContact O-CB 3.35Å; N132-M136 WeakPolarHBondContact O-CG 3.42Å; N132-M136 PolarHBondContact O-N 3Å; I134-M136 PolarHBondContact O-N 2.92Å; M136-L139 HydrophobicContact SD-CD1 4.34Å; M136-K140 WeakPolarHBondContact O-CB 3.06Å; M136-K140 PolarHBondContact O-N 3.44Å
137K82.1Confident74.5Confident143 Ų143105.3 Ų105.362%0.62251%0.513SS*.Hα-helixtrans-67.6-44.6175.5-168.1165.7-175.6173.20112C133 I134 R135 L139 K140 D141C133-K137 PolarHBondContact O-N 3.07Å; I134-K137 PolarHBondContact O-N 2.91Å; R135-K137 VanDerWaalsContact C-N 3.32Å; R135-K137 PolarHBondContact O-N 2.9Å; K137-L139 PolarHBondContact O-N 3.13Å; K137-K140 PolarHBondContact O-N 3.36Å; K137-D141 PolarHBondContact O-N 3.22Å
138I79.3Confident75.7Confident99 Ų99104.7 Ų104.751%0.50851%0.509SS..Hα-helixtrans-61.1-43.4175.6-67.6167.5000111I134 R135 D141 V142I134-I138 HydrophobicContact CG2-CD1 3.79Å; I134-I138 HydrophobicContact CG2-CG1 4.48Å; I134-I138 WeakPolarHBondContact O-CG1 3.39Å; I134-I138 PolarHBondContact O-N 2.72Å; R135-I138 PolarHBondContact O-N 3.15Å; I138-D141 PolarHBondContact O-N 2.89Å; I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.16Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.47Å
139L75Confident76.7Confident92 Ų92104.5 Ų104.548%0.48251%0.51SS..Hα-helixtrans-60.9-45176.4-73.1169.8000111.7R135 M136 K137 V142 Q143R135-L139 WeakPolarHBondContact O-CB 3.4Å; R135-L139 WeakPolarHBondContact O-CG 3.49Å; R135-L139 PolarHBondContact O-N 2.96Å; M136-L139 HydrophobicContact SD-CD1 4.34Å; K137-L139 PolarHBondContact O-N 3.13Å; L139-V142 PolarHBondContact O-N 3.11Å; L139-Q143 WeakPolarHBondContact O-CB 3.08Å; L139-Q143 PolarHBondContact O-N 3.34Å
140K82.3Confident77.4Confident140 Ų140104.3 Ų104.361%0.60951%0.51SS*.Hα-helixtrans-64.7-39.7178-165.5165.3-171.9166.90112.5M136 K137 Q143 N144M136-K140 WeakPolarHBondContact O-CB 3.06Å; M136-K140 PolarHBondContact O-N 3.44Å; K137-K140 PolarHBondContact O-N 3.36Å; K140-Q143 PolarHBondContact O-N 2.89Å; K140-N144 WeakPolarHBondContact O-CB 3.34Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.07Å; K140-N144 PolarHBondContact O-ND2 3.15Å
141D80.9Confident78Confident85 Ų85102.7 Ų102.746%0.45551%0.51SS..Hα-helixtrans-67.7-40.1175.1-72.9-25.2000111.8K137 I138 N144 Q145K137-D141 PolarHBondContact O-N 3.22Å; I138-D141 PolarHBondContact O-N 2.89Å; D141-N144 PolarHBondContact O-N 3.33Å; D141-Q145 WeakPolarHBondContact O-CG 3.16Å; D141-Q145 PolarHBondContact O-N 2.87Å
142V80.5Confident78.7Confident64 Ų64103.6 Ų103.639%0.38851%0.514SS..Hα-helixtrans-62.7-43173.1167.90000111.5I138 L139 Q145 Q146I138-V142 HydrophobicContact CG2-CG2 4.43Å; I138-V142 WeakPolarHBondContact O-CB 3.16Å; I138-V142 VanDerWaalsContact O-CG2 3.3Å; I138-V142 WeakPolarHBondContact O-CG2 3.36Å; I138-V142 PolarHBondContact O-N 3.47Å; L139-V142 PolarHBondContact O-N 3.11Å; V142-Q145 PolarHBondContact O-N 2.89Å; V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.42Å
143Q77.5Confident79Confident120 Ų120103 Ų10356%0.56151%0.513SS*.Hα-helixtrans-65.9-38.7177.9-164.4174.917.400111.8L139 K140 Q146 N147L139-Q143 WeakPolarHBondContact O-CB 3.08Å; L139-Q143 PolarHBondContact O-N 3.34Å; K140-Q143 PolarHBondContact O-N 2.89Å; Q143-Q146 PolarHBondContact O-N 2.81Å; Q143-N147 WeakPolarHBondContact O-CB 3.23Å; Q143-N147 VanDerWaalsContact O-CG 3.24Å; Q143-N147 PolarHBondContact O-N 3.43Å; Q143-N147 PolarHBondContact O-ND2 2.97Å
144N81.7Confident79.1Confident87 Ų87101.5 Ų101.547%0.46550%0.504SS..Hα-helixtrans-61.5-43.7171.9-76.2-27.5000112.3K140 D141 N147 K148K140-N144 WeakPolarHBondContact O-CB 3.34Å; K140-N144 VanDerWaalsContact O-CG 3.26Å; K140-N144 PolarHBondContact O-N 3.07Å; K140-N144 PolarHBondContact O-ND2 3.15Å; D141-N144 PolarHBondContact O-N 3.33Å; N144-N147 PolarHBondContact O-N 3.29Å; N144-K148 WeakPolarHBondContact O-CB 3.42Å; N144-K148 PolarHBondContact O-N 2.93Å
145Q79.7Confident79.2Confident130 Ų130103.4 Ų103.461%0.60751%0.51SS*.Hα-helixtrans-65.7-38.5175.1-66.4-62.8-28.100112.1D141 V142 K148 L149D141-Q145 WeakPolarHBondContact O-CG 3.16Å; D141-Q145 PolarHBondContact O-N 2.87Å; V142-Q145 PolarHBondContact O-N 2.89Å; Q145-K148 PolarHBondContact O-N 3.12Å; Q145-L149 WeakPolarHBondContact O-CB 3.17Å; Q145-L149 PolarHBondContact O-N 3.49Å
146Q74.7Confident79.3Confident93 Ų93102.6 Ų102.644%0.43552%0.516SS..Hα-helixtrans-64.3-42.5175.7179.7167.9-31.200112V142 Q143 L149 S150V142-Q146 WeakPolarHBondContact O-CB 3.28Å; V142-Q146 PolarHBondContact O-N 3.42Å; Q143-Q146 PolarHBondContact O-N 2.81Å; Q146-L149 PolarHBondContact O-N 3.38Å; Q146-S150 WeakPolarHBondContact O-CB 3.29Å; Q146-S150 PolarHBondContact O-N 3.17Å
147N81.4Confident79.7Confident94 Ų94103 Ų10350%0.50352%0.515SS..Hα-helixtrans-62.9-45.8175.1-72.2-14.4000111.5Q143 N144 S150 Q151Q143-N147 WeakPolarHBondContact O-CB 3.23Å; Q143-N147 VanDerWaalsContact O-CG 3.24Å; Q143-N147 PolarHBondContact O-N 3.43Å; Q143-N147 PolarHBondContact O-ND2 2.97Å; N144-N147 PolarHBondContact O-N 3.29Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.45Å; N147-Q151 PolarHBondContact O-N 3.02Å
148K82.4Confident79.7Confident112 Ų112101 Ų10149%0.48751%0.507SS..Hα-helixtrans-60.5-46.7175.8-173.4178.6178-172.40112.1N144 Q145 S150 Q151 E152N144-K148 WeakPolarHBondContact O-CB 3.42Å; N144-K148 PolarHBondContact O-N 2.93Å; Q145-K148 PolarHBondContact O-N 3.12Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.03Å; K148-Q151 WeakPolarHBondContact O-CB 3.49Å; K148-Q151 PolarHBondContact O-N 3.13Å; K148-E152 WeakPolarHBondContact CE-OE1 3.1Å; K148-E152 IonicContact NZ-OE1 2.8Å; K148-E152 PolarHBondContact O-N 3.38Å
149L79.5Confident79.7Confident84 Ų84101.2 Ų101.244%0.4451%0.506SS..Hα-helixtrans-63.5-35.9177-17762.2000112.1Q145 Q146 V153Q145-L149 WeakPolarHBondContact O-CB 3.17Å; Q145-L149 PolarHBondContact O-N 3.49Å; Q146-L149 PolarHBondContact O-N 3.38Å; L149-V153 HydrophobicContact CD1-CG2 4.34Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.84Å
150S76.9Confident79.9Confident71 Ų71102.9 Ų102.950%0.49751%0.51SS..Hα-helixtrans-64.4-40.1174.3-167.20000112.1Q146 N147 K148 S154Q146-S150 WeakPolarHBondContact O-CB 3.29Å; Q146-S150 PolarHBondContact O-N 3.17Å; N147-S150 WeakPolarHBondContact O-CB 3.35Å; N147-S150 PolarHBondContact O-N 3.45Å; K148-S150 VanDerWaalsContact C-N 3.3Å; K148-S150 PolarHBondContact O-N 3.03Å; S150-S154 WeakPolarHBondContact O-CB 3.48Å; S150-S154 PolarHBondContact O-N 3.26Å; S150-S154 PolarHBondContact O-OG 3.34Å
151Q83.1Confident79.8Confident143 Ų143101.2 Ų101.267%0.66851%0.507SS*.Hα-helixtrans-64.6-49.2174.5-169.8179.413.800111.5N147 K148 V153 S154 Q155N147-Q151 PolarHBondContact O-N 3.02Å; K148-Q151 WeakPolarHBondContact O-CB 3.49Å; K148-Q151 PolarHBondContact O-N 3.13Å; Q151-V153 PolarHBondContact O-N 2.75Å; Q151-S154 PolarHBondContact O-N 2.86Å; Q151-S154 VanDerWaalsContact O-N 3.11Å; Q151-Q155 PolarHBondContact O-N 3.38Å
152E81.9Confident79.8Confident90 Ų90100.8 Ų100.842%0.42150%0.502SS..Hα-helixtrans-59.9-43.5176.9-71.8177.8-168.300112K148 S154 Q155 L156K148-E152 WeakPolarHBondContact CE-OE1 3.1Å; K148-E152 IonicContact NZ-OE1 2.8Å; K148-E152 PolarHBondContact O-N 3.38Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.29Å; E152-Q155 PolarHBondContact O-N 2.99Å; E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.49Å
153V78.8Confident79.9Confident63 Ų63102.4 Ų102.438%0.38251%0.507SS..Hα-helixtrans-63.8-34.5175166.60000111.9L149 Q151 K157L149-V153 HydrophobicContact CD1-CG2 4.34Å; L149-V153 WeakPolarHBondContact O-CB 3.46Å; L149-V153 VanDerWaalsContact O-CG2 3.24Å; L149-V153 WeakPolarHBondContact O-CG2 3.4Å; L149-V153 PolarHBondContact O-N 2.84Å; Q151-V153 PolarHBondContact O-N 2.75Å; V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å
154S77.5Confident79.9Confident57 Ų57100.5 Ų100.540%0.39950%0.499SS..Hα-helixtrans-73.1-40178-59.60000111.9S150 Q151 E152 L156 K157 Q158S150-S154 WeakPolarHBondContact O-CB 3.48Å; S150-S154 PolarHBondContact O-N 3.26Å; S150-S154 PolarHBondContact O-OG 3.34Å; Q151-S154 PolarHBondContact O-N 2.86Å; Q151-S154 VanDerWaalsContact O-N 3.11Å; E152-S154 VanDerWaalsContact C-N 3.29Å; E152-S154 PolarHBondContact O-N 3.29Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.91Å; S154-K157 WeakPolarHBondContact O-CB 3.39Å; S154-K157 PolarHBondContact O-N 3.37Å; S154-Q158 PolarHBondContact O-N 2.93Å
155Q79.4Confident79.9Confident133 Ų133100.7 Ų100.762%0.62150%0.503SS*.Hα-helixtrans-62-40.3171.5-167.7177.317.700111.8Q151 E152 K157 Q158 Q159Q151-Q155 PolarHBondContact O-N 3.38Å; E152-Q155 PolarHBondContact O-N 2.99Å; Q155-K157 PolarHBondContact O-N 3.06Å; Q155-Q158 PolarHBondContact O-N 3.18Å; Q155-Q159 WeakPolarHBondContact O-CG 3.29Å; Q155-Q159 PolarHBondContact O-N 3.45Å
156L78.8Confident80.1Confident125 Ų12598.6 Ų98.665%0.65450%0.499SS*.Hα-helixtrans-64.5-34.5174.1-94.7153.9000113.6E152 S154 F160E152-L156 WeakPolarHBondContact O-CB 3.01Å; E152-L156 PolarHBondContact O-N 3.49Å; S154-L156 VanDerWaalsContact C-N 3.33Å; S154-L156 PolarHBondContact O-N 2.91Å; L156-F160 WeakPolarHBondContact O-CB 3.26Å; L156-F160 PolarHBondContact O-N 3.34Å; L156-F160 VanDerWaalsContact O-N 3.12Å
157K79.5Confident80.4Confident139 Ų13998.2 Ų98.260%0.60450%0.499SS*.Hα-helixtrans-65.3-45171.5-73.3170.9-176.9171.90111.5V153 S154 Q155 F160 L161V153-K157 WeakPolarHBondContact O-CG 3.37Å; V153-K157 PolarHBondContact O-N 3.31Å; S154-K157 WeakPolarHBondContact O-CB 3.39Å; S154-K157 PolarHBondContact O-N 3.37Å; Q155-K157 PolarHBondContact O-N 3.06Å; K157-F160 WeakPolarHBondContact O-CB 3.49Å; K157-F160 PolarHBondContact O-N 3.49Å; K157-L161 PolarHBondContact O-N 3.33Å
158Q83.2Confident80.5Confident99 Ų9997 Ų9746%0.46350%0.496SS..Hα-helixtrans-61.8-49.9-179.4179.757.328.200111.3S154 Q155 F160 L161 E162S154-Q158 PolarHBondContact O-N 2.93Å; Q155-Q158 PolarHBondContact O-N 3.18Å; Q158-F160 VanDerWaalsContact C-N 3.28Å; Q158-F160 PolarHBondContact O-N 3.18Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.94Å; Q158-E162 WeakPolarHBondContact CG-OE1 3.48Å; Q158-E162 PolarHBondContact NE2-OE1 3.04Å; Q158-E162 PolarHBondContact O-N 3.32Å
159Q80Confident80.5Confident105 Ų10594.7 Ų94.749%0.49149%0.493SS..Hα-helixtrans-60-35.5175.3-71.8-87.9-8200112.7Q155 E162 I163Q155-Q159 WeakPolarHBondContact O-CG 3.29Å; Q155-Q159 PolarHBondContact O-N 3.45Å; Q159-E162 PolarHBondContact NE2-OE2 3.28Å; Q159-I163 WeakPolarHBondContact O-CD1 3.4Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.27Å; Q159-I163 PolarHBondContact O-N 2.94Å
160F77.6Confident80.7Confident127 Ų12794.8 Ų94.856%0.55749%0.493SS*.Hα-helixtrans-65.9-38.8173.5-177.4-95.6000112.3L156 K157 Q158 I163 Q164L156-F160 WeakPolarHBondContact O-CB 3.26Å; L156-F160 PolarHBondContact O-N 3.34Å; L156-F160 VanDerWaalsContact O-N 3.12Å; K157-F160 WeakPolarHBondContact O-CB 3.49Å; K157-F160 PolarHBondContact O-N 3.49Å; Q158-F160 VanDerWaalsContact C-N 3.28Å; Q158-F160 PolarHBondContact O-N 3.18Å; F160-I163 PolarHBondContact O-N 3.46Å; F160-Q164 HydrophobicContact CD1-CG 4.07Å; F160-Q164 HydrophobicContact CE1-CG 3.71Å; F160-Q164 HydrophobicContact CZ-CG 4.07Å; F160-Q164 VanDerWaalsContact O-CG 3.32Å; F160-Q164 WeakPolarHBondContact O-CG 3.47Å; F160-Q164 PolarHBondContact O-N 3.02Å
161L80.3Confident80.9Confident104 Ų10496.3 Ų96.355%0.54549%0.493SS..Hα-helixtrans-68.9-37.5178.3-170.864.6000112.3K157 Q158 Q164 T165K157-L161 PolarHBondContact O-N 3.33Å; Q158-L161 WeakPolarHBondContact O-CB 3.38Å; Q158-L161 PolarHBondContact O-N 2.94Å; L161-Q164 PolarHBondContact O-N 3.12Å; L161-T165 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-OG1 2.91Å
162E81.9Confident80.8Confident76 Ų7693.7 Ų93.736%0.35548%0.483SS..Hα-helixtrans-62.1-47.7171.7-72.4159.4-169.400111Q158 Q159 Q164 T165 V166Q158-E162 WeakPolarHBondContact CG-OE1 3.48Å; Q158-E162 PolarHBondContact NE2-OE1 3.04Å; Q158-E162 PolarHBondContact O-N 3.32Å; Q159-E162 PolarHBondContact NE2-OE2 3.28Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 3.06Å; E162-T165 WeakPolarHBondContact O-CB 3.48Å; E162-T165 PolarHBondContact O-N 3.15Å; E162-V166 WeakPolarHBondContact O-CG2 3.4Å; E162-V166 PolarHBondContact O-N 3.47Å
163I81.7Confident80.9Confident98 Ų9894.2 Ų94.250%0.50349%0.488SS..Hα-helixtrans-62.3-38.9176.5-69.1166000111.9Q159 F160 V166 L167Q159-I163 WeakPolarHBondContact O-CD1 3.4Å; Q159-I163 VanDerWaalsContact O-CG1 3.25Å; Q159-I163 WeakPolarHBondContact O-CG1 3.27Å; Q159-I163 PolarHBondContact O-N 2.94Å; F160-I163 PolarHBondContact O-N 3.46Å; I163-V166 PolarHBondContact O-N 3.04Å; I163-L167 HydrophobicContact CG2-CD1 4.01Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3Å
164Q77.4Confident81Confident81 Ų8195.9 Ų95.938%0.37949%0.494SS..Hα-helixtrans-61.6-45.8173-72.9-65-34.100111.5F160 L161 E162 V166 L167 V168F160-Q164 HydrophobicContact CD1-CG 4.07Å; F160-Q164 HydrophobicContact CE1-CG 3.71Å; F160-Q164 HydrophobicContact CZ-CG 4.07Å; F160-Q164 VanDerWaalsContact O-CG 3.32Å; F160-Q164 WeakPolarHBondContact O-CG 3.47Å; F160-Q164 PolarHBondContact O-N 3.02Å; L161-Q164 PolarHBondContact O-N 3.12Å; E162-Q164 VanDerWaalsContact C-N 3.35Å; E162-Q164 PolarHBondContact O-N 3.06Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.26Å; Q164-L167 PolarHBondContact O-N 3.5Å; Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 3.41Å
165T82.8Confident81.3Confident91 Ų9197 Ų9756%0.55850%0.495SS*.Hα-helixtrans-60.7-43.6178.9-54.50000111.7L161 E162 V168 S169L161-T165 PolarHBondContact O-N 2.83Å; L161-T165 PolarHBondContact O-OG1 2.91Å; E162-T165 WeakPolarHBondContact O-CB 3.48Å; E162-T165 PolarHBondContact O-N 3.15Å; T165-V168 PolarHBondContact O-N 2.9Å; T165-S169 PolarHBondContact O-N 3.31Å
166V83.9Confident81.3Confident86 Ų8695.5 Ų95.552%0.52149%0.491SS..Hα-helixtrans-64.6-41.6175.5172.40000111.6E162 I163 Q164 S169 I170E162-V166 WeakPolarHBondContact O-CG2 3.4Å; E162-V166 PolarHBondContact O-N 3.47Å; I163-V166 PolarHBondContact O-N 3.04Å; Q164-V166 VanDerWaalsContact C-N 3.35Å; Q164-V166 PolarHBondContact O-N 3.26Å; V166-S169 WeakPolarHBondContact O-CB 3.23Å; V166-S169 PolarHBondContact O-N 3.44Å; V166-I170 HydrophobicContact CG1-CD1 3.8Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.49Å
167L79.8Confident81.3Confident84 Ų8496.6 Ų96.644%0.4449%0.486SS..Hα-helixtrans-62.6-43.6176.8-79167.1000112.5I163 Q164 S169 I170 Q171I163-L167 HydrophobicContact CG2-CD1 4.01Å; I163-L167 WeakPolarHBondContact O-CB 3.4Å; I163-L167 WeakPolarHBondContact O-CG 3.34Å; I163-L167 PolarHBondContact O-N 3Å; Q164-L167 PolarHBondContact O-N 3.5Å; L167-S169 VanDerWaalsContact C-N 3.34Å; L167-I170 PolarHBondContact O-N 3.11Å; L167-Q171 WeakPolarHBondContact O-CG 3.37Å; L167-Q171 PolarHBondContact O-N 3.01Å
168V84.1Confident81.4Confident70 Ų7094.8 Ų94.842%0.42448%0.482SS..Hα-helixtrans-63.7-40.4175.8172.30000111.1Q164 T165 Q171 N172Q164-V168 WeakPolarHBondContact O-CG2 3.42Å; Q164-V168 PolarHBondContact O-N 3.41Å; T165-V168 PolarHBondContact O-N 2.9Å; V168-Q171 PolarHBondContact O-N 3.39Å; V168-N172 PolarHBondContact O-N 3.31Å; V168-N172 PolarHBondContact O-ND2 3.4Å
169S81.9Confident80.9Confident62 Ų6296 Ų9643%0.43449%0.488SS..Hα-helixtrans-60.4-47.5174.2-174.10000112.1T165 V166 L167 Q171 N172 I173T165-S169 PolarHBondContact O-N 3.31Å; V166-S169 WeakPolarHBondContact O-CB 3.23Å; V166-S169 PolarHBondContact O-N 3.44Å; L167-S169 VanDerWaalsContact C-N 3.34Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 3.02Å; S169-N172 PolarHBondContact O-N 2.94Å; S169-I173 VanDerWaalsContact O-CG1 3.31Å; S169-I173 WeakPolarHBondContact O-CG1 3.46Å; S169-I173 PolarHBondContact O-N 3.31Å
170I83.8Confident80.5Confident86 Ų8696.4 Ų96.444%0.44149%0.492SS..Hα-helixtrans-61.7-39.2176.4-68.5167000111.5V166 L167 I173 L174V166-I170 HydrophobicContact CG1-CD1 3.8Å; V166-I170 HydrophobicContact CG1-CG1 4.46Å; V166-I170 WeakPolarHBondContact O-CG1 3.36Å; V166-I170 PolarHBondContact O-N 3.49Å; L167-I170 PolarHBondContact O-N 3.11Å; I170-I173 PolarHBondContact O-N 3.33Å; I170-L174 HydrophobicContact CG2-CD1 4.04Å; I170-L174 WeakPolarHBondContact O-CD1 3.26Å; I170-L174 PolarHBondContact O-N 2.86Å
171Q81.1Confident80Confident104 Ų10496.5 Ų96.549%0.48650%0.495SS..Hα-helixtrans-62.8-46.8175-75.8176.7-43.800111.9L167 V168 S169 I173 L174 I175L167-Q171 WeakPolarHBondContact O-CG 3.37Å; L167-Q171 PolarHBondContact O-N 3.01Å; V168-Q171 PolarHBondContact O-N 3.39Å; S169-Q171 VanDerWaalsContact C-N 3.32Å; S169-Q171 PolarHBondContact O-N 3.02Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 3.34Å; Q171-L174 PolarHBondContact O-N 2.95Å; Q171-I175 VanDerWaalsContact O-CG1 3.31Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.32Å
172N82.2Confident78.9Confident87 Ų8795 Ų9547%0.46549%0.493SS..Hα-helixtrans-61.7-40.5177-70.1-18.4000111.9V168 S169 I175 N176V168-N172 PolarHBondContact O-N 3.31Å; V168-N172 PolarHBondContact O-ND2 3.4Å; S169-N172 PolarHBondContact O-N 2.94Å; N172-I175 PolarHBondContact O-N 2.77Å; N172-N176 WeakPolarHBondContact O-CB 2.91Å; N172-N176 VanDerWaalsContact O-CG 3.28Å; N172-N176 PolarHBondContact O-N 3.04Å
173I84.4Confident77.4Confident101 Ų10194.7 Ų94.752%0.51850%0.499SS..Hα-helixtrans-62.6-42.5174.6-67.9164.3000111S169 I170 Q171 R177S169-I173 VanDerWaalsContact O-CG1 3.31Å; S169-I173 WeakPolarHBondContact O-CG1 3.46Å; S169-I173 PolarHBondContact O-N 3.31Å; I170-I173 PolarHBondContact O-N 3.33Å; Q171-I173 VanDerWaalsContact C-N 3.33Å; Q171-I173 PolarHBondContact O-N 3.34Å; I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 PolarHBondContact O-N 2.86Å
174L80.2Confident75.6Confident99 Ų9995 Ų9552%0.51851%0.509SS..Hα-helixtrans-64.6-44.8175.1-104.488.3000112.4I170 Q171 R177 I178I170-L174 HydrophobicContact CG2-CD1 4.04Å; I170-L174 WeakPolarHBondContact O-CD1 3.26Å; I170-L174 PolarHBondContact O-N 2.86Å; Q171-L174 PolarHBondContact O-N 2.95Å; L174-R177 PolarHBondContact O-N 2.99Å; L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.03Å
175I82.8Confident74Confident80 Ų8096.6 Ų96.641%0.4152%0.524SS..Hα-helixtrans-59.9-48.5179.5-70.5164000110.1Q171 N172 R177 I178 H179Q171-I175 VanDerWaalsContact O-CG1 3.31Å; Q171-I175 WeakPolarHBondContact O-CG1 3.49Å; Q171-I175 PolarHBondContact O-N 3.32Å; N172-I175 PolarHBondContact O-N 2.77Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.84Å; I175-I178 PolarHBondContact O-N 2.86Å; I175-H179 WeakPolarHBondContact O-CB 3.07Å; I175-H179 PolarHBondContact O-N 3.38Å
176N80.7Confident71.9Confident102 Ų10297.1 Ų97.155%0.54553%0.527SS..Hα-helixtrans-61.1-40.5176.7-70.5-12.7000111.9N172 H179 L180N172-N176 WeakPolarHBondContact O-CB 2.91Å; N172-N176 VanDerWaalsContact O-CG 3.28Å; N172-N176 PolarHBondContact O-N 3.04Å; N176-H179 PolarHBondContact O-N 2.9Å; N176-L180 WeakPolarHBondContact O-CB 3Å; N176-L180 VanDerWaalsContact O-CG 3.28Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.12Å
177R79.1Confident69.5Low147 Ų14799.6 Ų99.656%0.55554%0.543SS*.Hα-helixtrans-68.3-37.7178.8-163.1173.4-166.1158.64.8112.7I173 L174 I175 Q181I173-R177 VanDerWaalsContact O-CB 3.31Å; I173-R177 WeakPolarHBondContact O-CB 3.35Å; I173-R177 PolarHBondContact O-N 2.86Å; L174-R177 PolarHBondContact O-N 2.99Å; I175-R177 VanDerWaalsContact C-N 3.32Å; I175-R177 PolarHBondContact O-N 2.84Å; R177-Q181 WeakPolarHBondContact O-CG 2.92Å; R177-Q181 PolarHBondContact O-N 2.89Å
178I80Confident67.4Low102 Ų102102.5 Ų102.552%0.52357%0.565SS.*Hα-helixtrans-65.3-47172.8-69.4164.2000109.9L174 I175 L180 Q181 S182L174-I178 VanDerWaalsContact O-CG1 3.3Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.03Å; I175-I178 PolarHBondContact O-N 2.86Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 2.88Å; I178-Q181 PolarHBondContact O-N 3.27Å; I178-Q181 VanDerWaalsContact O-N 3.11Å; I178-S182 PolarHBondContact O-N 2.94Å; I178-S182 PolarHBondContact O-OG 2.87Å
179H73.2Confident65Low125 Ų125104.7 Ų104.758%0.57958%0.583SS**Hα-helixtrans-60.1-44179.9-161.2-52.7000111.5I175 N176 S182 S183I175-H179 WeakPolarHBondContact O-CB 3.07Å; I175-H179 PolarHBondContact O-N 3.38Å; N176-H179 PolarHBondContact O-N 2.9Å; H179-S182 WeakPolarHBondContact CA-OG 3.21Å; H179-S182 PolarHBondContact O-N 3.44Å; H179-S182 PolarHBondContact O-OG 3.33Å; H179-S183 PolarHBondContact ND1-OG 3.07Å; H179-S183 PolarHBondContact O-N 3.03Å; H179-S183 PolarHBondContact O-OG 3.24Å; H179-S183 VanDerWaalsContact O-OG 3.04Å
180L72.1Confident62.8Low112 Ų112106.7 Ų106.759%0.58660%0.597SS**Hα-helixtrans-61-43.1173.4-73.8165.8000112.1N176 I178 S182 S183 C184N176-L180 WeakPolarHBondContact O-CB 3Å; N176-L180 VanDerWaalsContact O-CG 3.28Å; N176-L180 WeakPolarHBondContact O-CG 3.36Å; N176-L180 PolarHBondContact O-N 3.12Å; I178-L180 VanDerWaalsContact C-N 3.34Å; I178-L180 PolarHBondContact O-N 2.88Å; L180-S182 PolarHBondContact O-N 3.19Å; L180-S183 PolarHBondContact O-N 2.97Å; L180-S183 VanDerWaalsContact O-N 3.17Å; L180-C184 WeakPolarHBondContact O-CB 3.12Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.32Å; L180-C184 VanDerWaalsContact O-SG 3.34Å
181Q66.8Low60.5Low129 Ų129107.3 Ų107.360%0.60361%0.605SS**Hα-helixtrans-63.1-39.6176-77.5-176.4-42.300112.5R177 I178 S183 C184 T185R177-Q181 WeakPolarHBondContact O-CG 2.92Å; R177-Q181 PolarHBondContact O-N 2.89Å; I178-Q181 PolarHBondContact O-N 3.27Å; I178-Q181 VanDerWaalsContact O-N 3.11Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.44Å; Q181-C184 PolarHBondContact O-N 2.99Å; Q181-T185 WeakPolarHBondContact O-CG2 3.32Å; Q181-T185 PolarHBondContact O-OG1 3.21Å
182S56.7Low58.3Low73 Ų73112.5 Ų112.551%0.5162%0.622SS.*Hα-helixtrans-71.9-18.8174.151.50000114.6I178 H179 L180I178-S182 PolarHBondContact O-N 2.94Å; I178-S182 PolarHBondContact O-OG 2.87Å; H179-S182 WeakPolarHBondContact CA-OG 3.21Å; H179-S182 PolarHBondContact O-N 3.44Å; H179-S182 PolarHBondContact O-OG 3.33Å; L180-S182 PolarHBondContact O-N 3.19Å
183S51.8Low56.1Low69 Ų69113 Ų11348%0.48363%0.63SS.*Hα-helixtrans-88.8-23.8175.4-62.80000113.2H179 L180 Q181H179-S183 PolarHBondContact ND1-OG 3.07Å; H179-S183 PolarHBondContact O-N 3.03Å; H179-S183 PolarHBondContact O-OG 3.24Å; H179-S183 VanDerWaalsContact O-OG 3.04Å; L180-S183 PolarHBondContact O-N 2.97Å; L180-S183 VanDerWaalsContact O-N 3.17Å; Q181-S183 VanDerWaalsContact C-N 3.3Å; Q181-S183 PolarHBondContact O-N 3.44Å
184C43.3Very low53.7Low106 Ų106117.1 Ų117.172%0.71665%0.646SS**SBendtrans-97.23.2-176.1-65.90000114.7L180 Q181L180-C184 WeakPolarHBondContact O-CB 3.12Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-C184 PolarHBondContact O-SG 3.32Å; L180-C184 VanDerWaalsContact O-SG 3.34Å; Q181-C184 PolarHBondContact O-N 2.99Å
185T44Very low51.6Low113 Ų113117.1 Ų117.169%0.69365%0.652SS**SBendtrans-93.211.4178.945.70000114.7Q181Q181-T185 WeakPolarHBondContact O-CG2 3.32Å; Q181-T185 PolarHBondContact O-OG1 3.21Å
186T37.9Very low49.3Very low102 Ų102120.8 Ų120.863%0.62667%0.672SS**  trans-139.581.4-177.952.50000113.1
187T34.1Very low47Very low138 Ų138123.3 Ų123.385%0.84769%0.685SS**  trans175.797.8145.534.90000112.7
188T35.2Very low44.7Very low146 Ų146120.4 Ų120.490%0.89669%0.688SS**  trans176.9136.214728.70000107.2
189S34.5Very low42.5Very low116 Ų116121 Ų12181%0.81170%0.701SS**  cis-149.6173.4-12.740.90000109.7
190S34.6Very low40.4Very low104 Ų104120.9 Ų120.973%0.72770%0.703SS**  trans-70.8176.9-167.163.10000114.6
191T35.9Very low38.4Very low98 Ų98126.2 Ų126.260%0.60172%0.717SS**  -170158.354-35.70000115.3
192Y35.3Very low36.4Very low214 Ų214127.9 Ų127.984%0.83973%0.729SS**  trans90144.5162.2-64.9-56.8000120
193P35.4Very low35.1Very low98 Ų98134.6 Ų134.664%0.63675%0.745SS**  -150151.9-127.841.4-19.4000120.5
194H34.1Very low34Very low186 Ų186137.3 Ų137.386%0.86175%0.754SS**  trans59.9177.1143.2-79.5-47.5000120
195P36.8Very low33.4Very low100 Ų100137.9 Ų137.965%0.64975%0.75SS**  cis-127.9-176.2-8.429.9-8.1000115.6
196L34.3Very low32.8Very low157 Ų157142 Ų14282%0.82276%0.758SS**  trans74.1145.9165.6-45.3-177.1000116.7
197N32.4Very low32.6Very low155 Ų155144.8 Ų144.883%0.82977%0.769SS**  cis-137.3171.76.5-156-4.1000112.5
198S30.4Very low32.4Very low86 Ų86145.4 Ų145.460%0.60177%0.767SS**  trans-117.1146.1-149.9-54.60000117.8
199S32.7Very low32.2Very low114 Ų114146.3 Ų146.380%0.79776%0.763SS**  trans177.5109.8139.8-78.30000108.9
200I30.3Very low31.8Very low123 Ų123145.5 Ų145.563%0.63176%0.755SS**  66.4120.458.9-48.5164.2000109.5
201Y30.8Very low31.6Very low223 Ų223148.1 Ų148.188%0.87576%0.76SS**  cis-129.9148.835.5-84.2-85.4000117
202L24.3Very low31.2Very low165 Ų165152.3 Ų152.386%0.86477%0.77SS**  trans-138.7139.3151.6-96.8171.4000107.5
203Y29.5Very low30.8Very low214 Ų214146.2 Ų146.284%0.83976%0.758SS**  trans167.1137.8146.9-112.1-110.8000107.6
204N28.4Very low30.6Very low126 Ų126148.3 Ų148.367%0.67477%0.772SS**  cis105.7123.314.3-167.932.1000114.9
205N31.3Very low30.6Very low118 Ų118145 Ų14563%0.63177%0.765SS**  trans62.6113.7158.9-151.7-6.2000121.2
206K30Very low30.1Very low198 Ų198146.1 Ų146.186%0.86177%0.77SS**  trans-165.9108.5132.4-111.2174.6-175.9179.20111.2
207N34Very low30Very low161 Ų161144.5 Ų144.586%0.86177%0.769SS**  trans-178.285.3145.7-96.8-10.7000110.2
208N29.3Very low29.7Very low151 Ų151144 Ų14481%0.80777%0.765SS**  trans-91.1119.6164.4-95.12.2000108.9
209M30.8Very low29.6Very low165 Ų165146.3 Ų146.381%0.81377%0.77SS**  trans-137.6108.5158.6-86.9-61.1-64.800108.4I211M209-I211 HydrophobicContact CE-CD1 4.46Å
210P28.2Very low29.3Very low99 Ų99147.1 Ų147.164%0.64377%0.765SS**  trans-88.4144.4172.234.7-31.5000110.7
211I29.1Very low29.2Very low159 Ų159147 Ų14782%0.81577%0.77SS**  trans-152.2146.9157.4-98.7135.8000108.1M209M209-I211 HydrophobicContact CE-CD1 4.46Å
212F28Very low29.2Very low187 Ų187144.3 Ų144.382%0.8277%0.766SS**  trans-100.4160.3-168.1-93.9-108.5000113.7
213S27.3Very low29.4Very low85 Ų85143.8 Ų143.859%0.59476%0.763SS**  trans35.3125.8144.9-55.80000121.3T215S213-T215 PolarHBondContact O-N 3.03Å
214P30.9Very low29.7Very low142 Ų142138.1 Ų138.192%0.92275%0.753SS**  trans-78.2114.1158.932.5-29.9000110.7
215T32.8Very low29.6Very low118 Ų118138 Ų13872%0.72476%0.757SS**  trans-120.5129.8165.4-52.30000108.6S213S213-T215 PolarHBondContact O-N 3.03Å
216T27.2Very low29.5Very low123 Ų123139.3 Ų139.376%0.75576%0.762SS**  trans-64.9145179.848.60000113
217P32.7Very low29.4Very low123 Ų123136.8 Ų136.880%0.79976%0.758SS**  trans-119.2158.7131.135.6-31.1000112.3
218L26.6Very low29.2Very low143 Ų143135.9 Ų135.975%0.74975%0.752SS**  trans-90.2170.1171.8-96.175.7000111.1
219I28Very low29.2Very low135 Ų135132 Ų13269%0.69275%0.747SS**  trans81.2106.1143.8-83161.8000118
220N26.7Very low29.2Very low131 Ų131130 Ų13070%0.70175%0.75SS**  trans94.5127.6131.3-70.217.2000123.6
221T27.4Very low29.3Very low120 Ų120129.8 Ų129.874%0.73676%0.756SS**  trans89.5131.9130.342.90000123.5
222E30.4Very low29.3Very low167 Ų167126.6 Ų126.678%0.7875%0.748SS**  trans65.695.4155.9-51.7-49.282.500122.2
223L28.4Very low29.4Very low155 Ų155127.4 Ų127.481%0.81275%0.751SS**  -8.5175.8118.6-9370.7000119.8
224P35.1Very low29.5Very low95 Ų95128.4 Ų128.462%0.61776%0.758SS**  cis-143.4179.4-24.635.5-15.5000116.6
225T27.2Very low29.5Very low124 Ų124128.7 Ų128.776%0.76175%0.751SS**  trans66.4165.8151.446.90000118.2
226I29.9Very low29.3Very low145 Ų145129.2 Ų129.274%0.74475%0.749SS**  cis-137.5113.224.5-66170.2000112.7
227D26.9Very low29.5Very low144 Ų144130 Ų13077%0.7775%0.749SS**  54.9165115.7-153.724.3000125.2
228I29.3Very low29.4Very low143 Ų143129.3 Ų129.373%0.73374%0.742SS**  trans98.996.5156.6-47.3-176.3000119.7
229G31.3Very low29.7Very low68 Ų68131 Ų13170%0.70175%0.746SS**  100.2152.212700000120.1
230S29Very low29.8Very low125 Ų125130.8 Ų130.887%0.87475%0.746SS**  cis-175.2164.7-21.1-118.20000111.2
231A31.6Very low30.2Very low93 Ų93131 Ų13177%0.76975%0.753SS**  trans7091.4161.100000121
232S28.2Very low30.3Very low93 Ų93134.7 Ų134.765%0.6576%0.758SS**  trans-6.5148.2135.7-45.20000120.6
233F31.3Very low30.4Very low204 Ų204134.8 Ų134.890%0.89576%0.762SS**  -179.8163.995.9-91.6-65000112.6
234S28.7Very low30.6Very low105 Ų105132.4 Ų132.473%0.73476%0.755SS**  trans-144.4151.5-178.3-65.50000111.3
235L30Very low30.7Very low148 Ų148136.9 Ų136.978%0.77577%0.767SS**  -179.7130.9121.1-116.878000115
236N29.7Very low31Very low129 Ų129137.9 Ų137.969%0.6977%0.768SS**  trans47.8118.3131.4-62.2-0.1000124.9
237N30.2Very low31.4Very low139 Ų139135.8 Ų135.874%0.74376%0.764SS**  76.4110.3122.7-74.1-2.4000124.9
238V30.7Very low31.5Very low109 Ų109136 Ų13666%0.66176%0.764SS**  56.4118.1115.3179.80000119.7
239H34.8Very low31.7Very low178 Ų178139.9 Ų139.982%0.82477%0.769SS**  -155.8164.8120.2-111.872.9000113.5
240N29.6Very low31.6Very low132 Ų132142.7 Ų142.771%0.70677%0.773SS**  trans-82.2152.4-175.3-65-62.8000113.1
241T33.9Very low31.9Very low136 Ų136141.4 Ų141.483%0.83476%0.762SS**  174.2121.3100.838.40000115.2
242K30Very low31.9Very low196 Ų196143.4 Ų143.485%0.85276%0.759SS**  trans17.4120.6133.1-173.9-176.1-174.6-179.50119.8
243I33.3Very low32Very low169 Ų169144.9 Ų144.987%0.86776%0.76SS**  trans-157.3160.3138.1-107.3156.7000110.9
244T31.5Very low32Very low106 Ų106143 Ų14365%0.6575%0.752SS**  trans-88.9151.9-168.444.80000115.1
245H37.1Very low32Very low188 Ų188144.1 Ų144.187%0.8775%0.75SS**  -168.7175.9109.8-104.2-75.2000112.2
246N34.7Very low31.9Very low145 Ų145147.2 Ų147.278%0.77575%0.753SS**  trans-126.9-172.4-161.5-1528.9000111.1
247P37.4Very low31.9Very low102 Ų102146.3 Ų146.366%0.66275%0.751SS**  -111.1-170-11240.6-24.5000113.6
248L30.3Very low32Very low148 Ų148145.4 Ų145.478%0.77575%0.751SS**  161.3149.5117.3-171.463.4000113.7
249R32.7Very low32.1Very low225 Ų225146 Ų14685%0.84975%0.75SS**  trans77.7122.5156-101.8170.3-175.2168.30.7121.7
250T29.7Very low32Very low127 Ų127143.8 Ų143.878%0.77975%0.745SS**  trans-71.9178.9148.150.60000110.3
251P35.5Very low32.3Very low98 Ų98142.9 Ų142.964%0.63675%0.748SS**  cis-146.6-169.518.147.3-27.2000118
252D31.1Very low32.3Very low134 Ų134141.4 Ų141.472%0.71774%0.744SS**  trans64.7118146.2-60.1-23.4000124.3
253N30.6Very low32.8Very low125 Ų125138.2 Ų138.267%0.66874%0.743SS**  84.6142125.2-81.1-33.4000125.6
254F29.7Very low32.8Very low165 Ų165136.7 Ų136.772%0.72474%0.736SS**  trans63.2103.3148.4-67.9-53.6000124
255N28.6Very low32.8Very low128 Ų128141.4 Ų141.468%0.68474%0.743SS**  63.9155.6118.8-70.1-0.8000124.1
256Y29.6Very low32.4Very low213 Ų213137.6 Ų137.684%0.83574%0.737SS**  trans73150.6171-69.9-91.2000117.9
257V29.6Very low32.3Very low109 Ų109137.2 Ų137.266%0.66174%0.74SS**  cis176.8158.7-47.3136.60000108.9
258T31.2Very low31.8Very low120 Ų120137.5 Ų137.574%0.73674%0.744SS**  trans67159.8173.142.90000116.4
259N32.2Very low31.9Very low122 Ų122137.2 Ų137.265%0.65275%0.749SS**  cis-155166.814.8-138.2-4.1000114.8
260N33.7Very low31.5Very low132 Ų132131.9 Ų131.971%0.70674%0.742SS**  trans68151.9151.9-66.4-13.7000119.9
261S35.1Very low31.4Very low112 Ų112131.6 Ų131.678%0.78374%0.739SS**  cis-162156.8-7.136.60000112.9
262S34.7Very low31.2Very low106 Ų106132.7 Ų132.774%0.74174%0.744SS**  trans-86.2171.5178.1-40.30000114.1
263P40.4Very low31Very low128 Ų128131.4 Ų131.483%0.83174%0.741SS**  -143.9-169.987.438.8-23.4000113.8
264L33Very low31Very low138 Ų138133 Ų13372%0.72375%0.749SS**  cis166.7168.6-49.2-120.2173.6000108.3
265Y32.9Very low31.2Very low204 Ų204130.3 Ų130.380%0.875%0.748SS**  trans75121.6-173.5-60.4-87.9000114.7
266C27.2Very low31.4Very low108 Ų108129.2 Ų129.273%0.7375%0.751SS**  cis81.1142.146.6-59.20000112.4
267T32.5Very low31.3Very low137 Ų137123.3 Ų123.384%0.8474%0.741SS**  cis-141.8165.330.849.20000115.5
268S27.5Very low31.4Very low108 Ų108124.3 Ų124.376%0.75575%0.746SS**  trans-75.8162.6171.8-33.50000114.5
269T31.5Very low31.3Very low142 Ų142124.2 Ų124.287%0.87174%0.74SS**  trans-148.5156.1145.6-64.30000109.6
270T26Very low31.2Very low114 Ų114127 Ų12770%0.69975%0.749SS**  trans-133.9176.9-170.249.50000112.7
271V26.5Very low31Very low121 Ų121126.1 Ų126.173%0.73374%0.744SS**  trans70.4139.9173.7-1390000111.7T273V271-T273 HydrophobicContact CG1-CG2 4.06Å
272T30.8Very low30.8Very low121 Ų121126.7 Ų126.774%0.74275%0.746SS**  cis-155.2125.547.426.30000110.8
273T28.2Very low30.5Very low106 Ų106125.2 Ų125.265%0.6574%0.735SS**  84.4128.975.160.30000117.8V271V271-T273 HydrophobicContact CG1-CG2 4.06Å
274L29.6Very low29.9Very low158 Ų158124.5 Ų124.583%0.82773%0.729SS**  trans70.8159.5154.1-94.766.3000118.6
275P34.7Very low29.6Very low110 Ų110125.6 Ų125.671%0.71473%0.734SS**  -123.2-178.8-53.229-7.3000110.4
276S32.2Very low29.3Very low105 Ų105120.1 Ų120.173%0.73473%0.726SS**  -174.1170.757.3-74.50000113.6
277S28.5Very low29.2Very low89 Ų89120 Ų12062%0.62272%0.722SS**  trans-42.4160.2161.348.60000114.7
278V31.8Very low28.9Very low129 Ų129118.4 Ų118.478%0.78272%0.716SS**  cis-144.7128.643.1169.50000108.6
279I27.9Very low28.9Very low119 Ų119121 Ų12161%0.6171%0.714SS**  68.371.250.9-45171.3000114.2
280H30.6Very low28.7Very low179 Ų179121.4 Ų121.483%0.82971%0.708SS**  -173.1147.7108.9-106.8-66.7000114.7
281N28.9Very low28.8Very low115 Ų115122 Ų12262%0.61571%0.714SS**  trans-69.3156.4166.1-159.117.9000110S283N281-S283 VanDerWaalsContact CG-N 3.31Å; N281-S283 PolarHBondContact ND2-N 3.18Å; N281-S283 PolarHBondContact ND2-OG 2.89Å; N281-S283 PolarHBondContact OD1-N 3.43Å
282P30.9Very low28.8Very low124 Ų124122.9 Ų122.981%0.80571%0.714SS**  -142.8115.397.935.5-20.3000115.1
283S28.9Very low28.7Very low74 Ų74126.5 Ų126.552%0.51772%0.719SS.*  trans-63.4136.3149.152.30000110.6N281N281-S283 VanDerWaalsContact CG-N 3.31Å; N281-S283 PolarHBondContact ND2-N 3.18Å; N281-S283 PolarHBondContact ND2-OG 2.89Å; N281-S283 PolarHBondContact OD1-N 3.43Å
284T28.3Very low28.6Very low114 Ų114129.3 Ų129.370%0.69973%0.728SS**  158.7138.4111.947.20000112
285L27.1Very low28.6Very low160 Ų160126.1 Ų126.184%0.83872%0.719SS**  trans63.2152149.7-63.6163.1000116.9
286S26.5Very low28.2Very low89 Ų89127.5 Ų127.562%0.62273%0.726SS**  cis-168.8-169.4-17.4-173.90000107.6
287T24.9Very low28.3Very low106 Ų106129 Ų12965%0.6573%0.726SS**  trans69115.3161.262.50000120.7F289T287-F289 WeakPolarHBondContact O-CD2 3.35Å; T287-F289 WeakPolarHBondContact O-CE2 3.39Å
288S26.4Very low28.5Very low103 Ų103130.5 Ų130.572%0.7273%0.733SS**  38.1103.8121.4177.70000121
289F26Very low28.6Very low163 Ų163129.6 Ų129.672%0.71573%0.73SS**  trans-143.3132.9157.2-69.4-82.7000108.1T287 L292T287-F289 WeakPolarHBondContact O-CD2 3.35Å; T287-F289 WeakPolarHBondContact O-CE2 3.39Å; F289-L292 HydrophobicContact CD1-CB 4.49Å
290M28.3Very low28.7Very low150 Ų150128.9 Ų128.974%0.73974%0.735SS**SBendcis56.3102.613.4-85.5-70.4-176.100113.3L292M290-L292 PolarHBondContact O-N 3.49Å
291P28.2Very low28.6Very low126 Ų126125 Ų12582%0.81873%0.729SS**SBendtrans-73.2101.1-168.429.7-35.1000112
292L26.5Very low28.7Very low141 Ų141127.3 Ų127.374%0.73874%0.736SS**  trans-126.4148.9176.6-71.7176.5000112.3F289 M290F289-L292 HydrophobicContact CD1-CB 4.49Å; M290-L292 PolarHBondContact O-N 3.49Å
293K28.6Very low28.8Very low197 Ų197127.3 Ų127.386%0.85773%0.729SS**  trans-73.3179.4-172.2-72.5176.2169.4178.20113.5
294I26.2Very low29.1Very low164 Ų164130 Ų13084%0.84174%0.742SS**  trans90.5102.4168.6-52.8163.4000110.4
295S29.5Very low29.4Very low91 Ų91129.3 Ų129.364%0.63674%0.739SS**  cis93.4130.747.4-169.70000113N297S295-N297 PolarHBondContact OG-OD1 3.3Å
296T26.6Very low29.7Very low139 Ų139129.4 Ų129.485%0.85374%0.739SS**  trans-128.9108.3166.350.80000108.6
297N32.7Very low30Very low138 Ų138130 Ų13074%0.73874%0.744SS**  trans-72.4166177.1-52.7-31.1000110.7S295S295-N297 PolarHBondContact OG-OD1 3.3Å
298P33.7Very low30.9Very low120 Ų120130 Ų13078%0.77975%0.745SS**  -144173.188.238.1-23.6000114.2
299P34.4Very low31.2Very low110 Ų110132.7 Ų132.771%0.71475%0.751SS**  cis-134.4-165.8-32.637.5-19.6000113.2
300S29.1Very low31.5Very low103 Ų103129.6 Ų129.672%0.7275%0.749SS**  trans83.8130.5156.369.80000122
301S28.7Very low31.7Very low98 Ų98129.8 Ų129.869%0.68575%0.751SS**  trans47.5141147.846.50000122
302E31.8Very low31.9Very low164 Ų164128.9 Ų128.977%0.76675%0.748SS**  cis-164.9155.7-3.7-115.2-177.4118.200111.3
303N32.8Very low32.3Very low124 Ų124126.8 Ų126.866%0.66375%0.745SS**  trans45.3124.8148.5-55.4-26.8000122.3
304V35.8Very low32.5Very low129 Ų129123 Ų12378%0.78274%0.744SS**  94.314150.11570000113.2
305P34.6Very low33.3Very low100 Ų100120.9 Ų120.965%0.64974%0.74SS**  cis-150.9176.1-26.244.8-24.9000118.9
306I32.8Very low33.4Very low162 Ų162122 Ų12283%0.83175%0.748SS**  trans53.9177.3162.337.5165.8000120.2
307S33Very low33.7Very low103 Ų103121 Ų12172%0.7274%0.742SS**  cis-155.4165.68.1-142.50000115
308P43.1Very low33.5Very low104 Ų104121.9 Ų121.968%0.67575%0.746SS**  trans-133.5169.3-174.543.4-29.3000118.6
309L32.8Very low33.3Very low161 Ų161120.6 Ų120.684%0.84374%0.739SS**  trans-173.1127.3145.2-136.373000118.7
310S32.1Very low33.1Very low97 Ų97121.5 Ų121.568%0.67874%0.743SS**  trans61.6173.6142.366.50000121.5
311I32.5Very low33.2Very low154 Ų154124.1 Ų124.179%0.7975%0.748SS**  cis-154.3162.3-6.810.6169.2000111.6
312S31.6Very low33.3Very low108 Ų108129.8 Ų129.876%0.75576%0.756SS**  trans52.9153.1149.1-1090000123.1
313S35Very low33.2Very low96 Ų96125.2 Ų125.267%0.67175%0.753SS**  cis-171.4148.2-1735.80000114.3
314S34.1Very low33.1Very low118 Ų118124.9 Ų124.983%0.82576%0.76SS**  trans79.4153.9149-61.50000123.4
315P42Very low33Very low119 Ų119126.3 Ų126.377%0.77376%0.762SS**  trans-133.3178.7-161.843.8-26.7000116.8
316S33.3Very low32.8Very low114 Ų114127.5 Ų127.580%0.79777%0.77SS**  trans-172.7139.2145.7-91.90000117.7
317V31.1Very low32.9Very low119 Ų119124.9 Ų124.972%0.72177%0.765SS**  trans59.3104.9144.6-173.40000121.4
318L28.5Very low32.8Very low157 Ų157125.4 Ų125.482%0.82277%0.768SS**  31.1149.4121-48.4172.3000119.9
319S31.3Very low32.3Very low92 Ų92126.8 Ų126.864%0.64377%0.768SS**  cis-172.915549.1-46.10000113.5
320V29.6Very low32.4Very low130 Ų130124.2 Ų124.279%0.78876%0.761SS**  trans55.3150.2161.4-92.60000119.1
321L31Very low32.3Very low158 Ų158127.6 Ų127.683%0.82777%0.771SS**  cis-134155.215-120.5174.6000112.7
322Y29.8Very low31.9Very low216 Ų216125.8 Ų125.885%0.84777%0.77SS**  trans-68.2159173.3-72.2-106.8000111.6
323G30.1Very low31.8Very low69 Ų69126.9 Ų126.971%0.71177%0.772SS**  cis111.386.29.200000111.5
324S31.2Very low31.4Very low116 Ų116128.1 Ų128.181%0.81178%0.776SS**  trans-109.8165-179.5-68.40000112.4
325I34Very low31.2Very low160 Ų160127.2 Ų127.282%0.82177%0.77SS**  trans89.6117.8171.4-53.4171.3000114.7
326P30.1Very low30.6Very low125 Ų125130.9 Ų130.981%0.81277%0.773SS**  trans-94.3152.3172.236.8-33.4000113.3
327S35.3Very low30.8Very low106 Ų106132.6 Ų132.674%0.74177%0.772SS**  trans-146.2119.1164.758.80000108.5
328C30.7Very low31.1Very low115 Ų115132.9 Ų132.978%0.77778%0.777SS**  99.299.291.7-74.60000114.2
329I33.1Very low31.4Very low132 Ų132130.1 Ų130.168%0.67777%0.77SS**  trans8.2150134.615.7171.5000119.1
330P34.3Very low31.5Very low107 Ų107131.9 Ų131.970%0.69577%0.772SS**  -132.5-177.7-59.938.8-21.8000112
331L29.4Very low31.8Very low169 Ų169131.4 Ų131.489%0.88577%0.765SS**  trans165.6169.2134.2-91.4164.2000112.2
332C25.5Very low32.1Very low115 Ų115130.4 Ų130.478%0.77776%0.761SS**  trans-57.5153.7171.3-56.20000111.3
333V29.3Very low32.4Very low131 Ų131127.1 Ų127.179%0.79476%0.756SS**  -156.4155.967.1157.70000112.4
334T26.7Very low32.6Very low122 Ų122130.7 Ų130.775%0.74876%0.759SS**  trans-46.6161.5-177.158.70000119.9
335S28Very low32.7Very low99 Ų99130 Ų13069%0.69275%0.754SS**  trans79.4135.8142.4-178.20000117.3
336K29.9Very low32.6Very low196 Ų196129.5 Ų129.585%0.85275%0.752SS**  cis-156.7161.60.1-122.4170.9-169.9174.80111.6
337I38.8Very low32.6Very low151 Ų151130.3 Ų130.377%0.77475%0.754SS**  trans-82.8166.2163-22.3177.5000109.5
338P35.6Very low32.6Very low125 Ų125129 Ų12981%0.81276%0.758SS**  -148.6-175.194.839.9-21.9000115.9
339S36Very low32.5Very low98 Ų98135.2 Ų135.269%0.68577%0.765SS**  trans-111.8-169.3-171.350.90000113.7
340D33.7Very low32.6Very low130 Ų130133.1 Ų133.170%0.69576%0.76SS**  trans141.4158.1140.2-69.82.5000112
341N36.1Very low32.6Very low119 Ų119135.5 Ų135.564%0.63676%0.762SS**  cis-161.7137.718.9-136.1-41.7000113.5
342N35.7Very low32.7Very low137 Ų137133.4 Ų133.473%0.73375%0.75SS**  trans42.8170.6149.8-75.4-52.9000122.5
343I36.2Very low32.9Very low147 Ų147133.4 Ų133.475%0.75474%0.743SS**  cis-160.6135.543.7-74.4174.1000113.3
344N34.4Very low33.1Very low144 Ų144134.7 Ų134.777%0.7774%0.74SS**  trans32.9160.8140.1-57.2-17.8000124.3
345S33.3Very low33.4Very low102 Ų102134.6 Ų134.671%0.71374%0.739SS**  cis-178.8-173.6-17.1-178.20000110.6
346I33Very low33.6Very low149 Ų149135.5 Ų135.576%0.76474%0.741SS**  trans77.6126.7169.1-49.5175.7000115.1
347V30.2Very low33.8Very low142 Ų142131.4 Ų131.486%0.86173%0.732SS**  cis112.5116.615.4171.20000113.7
348G34.1Very low33.5Very low80 Ų80130.8 Ų130.883%0.82573%0.73SS**  trans172.8153.1174.300000116.2
349R29.1Very low33.4Very low244 Ų244130.1 Ų130.192%0.92173%0.729SS**  trans-161-178.7-175-134.4-161.4171.2-173.1-1.3108.3
350P35.7Very low33.2Very low89 Ų89133.9 Ų133.958%0.57874%0.738SS**  cis-128.7-163-33.424.21.6000113.2
351Q34Very low33.1Very low157 Ų157132.1 Ų132.173%0.73474%0.735SS**  trans75.9155.3158.9-48.5-56.245.500118.5
352I30.4Very low32.6Very low124 Ų124133.5 Ų133.564%0.63674%0.741SS**  cis-162.3163-13-112.9169.5000111.2
353N30.8Very low32.2Very low116 Ų116131.8 Ų131.862%0.6274%0.74SS**  trans72.1118.1164.7-79.1-6.3000119.9
354Q34.4Very low31.9Very low158 Ų158132.9 Ų132.974%0.73874%0.742SS**  89.2138.494.1-73.2174.3-14.800113.2
355T31.7Very low31.5Very low119 Ų119133.8 Ų133.873%0.7374%0.743SS**  cis-159.6167.99.7-6.30000113
356V33.3Very low31.4Very low119 Ų119136.6 Ų136.672%0.72175%0.745SS**  trans82.2104.4148.2164.20000120.5
357T33.5Very low31Very low109 Ų109138.8 Ų138.867%0.66975%0.745SS**  trans61.4139.5140.564.70000121.9
358D32.6Very low30.9Very low139 Ų139136.4 Ų136.474%0.74373%0.726SS**  cis-160.2145.1-6.9-111.9-22.5000113.7
359S32.4Very low30.9Very low111 Ų111136.6 Ų136.678%0.77671%0.713SS**  trans56.9137.715471.10000121.3
360M32.9Very low30.9Very low177 Ų177133.6 Ų133.687%0.87271%0.714SS**  cis-158.9153.7-23.1-148171.8179.800111.2
361S31.2Very low30.6Very low92 Ų92134.8 Ų134.864%0.64372%0.716SS**  trans3.8133.8168.2-53.80000121.6
362I26.7Very low30.3Very low149 Ų149134 Ų13476%0.76471%0.712SS**  cis79.396.345.6-59.9170.3000114.1
363S26.5Very low30.3Very low100 Ų100134.9 Ų134.970%0.69971%0.713SS**  59.5159.9122.8-46.90000124.1
364Q29Very low30.2Very low171 Ų171135.2 Ų135.280%0.79972%0.715SS**  trans74.2111.6156.4-69.4165.5-4.800119.7
365M27.1Very low30.1Very low163 Ų163135.1 Ų135.180%0.80372%0.72SS**  177.1120.7112.1-84.8-64.7-176.100107.1
366H31.1Very low30.1Very low160 Ų160137 Ų13774%0.74172%0.724SS**  58.691.987.3-80.3118.2000116.2
367Y25Very low30.5Very low195 Ų195136.3 Ų136.377%0.76572%0.723SS**  33.7142114.2-102.5-77000121.2
368I28.4Very low30.7Very low92 Ų92137 Ų13747%0.47273%0.729SS.*  trans111.8126.3151.7-66.8144.2000116I1025I368-I1025 HydrophobicContact CD1-CD1 4.08Å; I368-I1025 HydrophobicContact CD1-CG1 3.81Å; I368-I1025 HydrophobicContact CD1-CG2 4.47Å; I368-I1025 HydrophobicContact CG1-CD1 4.31Å; I368-I1025 HydrophobicContact CG1-CG1 4.07Å; I368-I1025 HydrophobicContact CG2-CD1 3.79Å; I368-I1025 HydrophobicContact CG2-CG1 4.37Å
369P33.7Very low30.6Very low84 Ų84136.4 Ų136.455%0.54573%0.73SS.*  trans-98.2169.9176.440-35.8000113.2
370L29.5Very low30.7Very low182 Ų182140 Ų14095%0.95373%0.733SS**  trans-139.8171.2157.2-96.2178.4000111.4
371N27.7Very low30.6Very low114 Ų114137.2 Ų137.261%0.6173%0.725SS**  trans-128.2167.1-157.9-179.334.4000111.7
372E28.9Very low30.6Very low139 Ų139136.9 Ų136.965%0.6573%0.729SS**  trans67.1161.8164.9-84.7164.2-134.800117.1
373Q29.9Very low30.9Very low143 Ų143135.2 Ų135.267%0.66873%0.726SS**  cis-153154.312.6-137.3165.76400112.4
374N28.7Very low31.2Very low123 Ų123136.5 Ų136.566%0.65873%0.729SS**  trans29134.8152.2-57.8-11.9000122.9
375N31.6Very low31.3Very low156 Ų156133.8 Ų133.883%0.83472%0.724SS**  -176.6174.9100-96.3-62.8000114.8
376L31.6Very low31.7Very low158 Ų158130.5 Ų130.583%0.82772%0.717SS**  trans-102.7171.9-156.3-100.880.5000117.1
377P41.9Very low31.7Very low106 Ų106128.7 Ų128.769%0.68872%0.718SS**  trans-99.8-164.5-176.142.5-38000113.3
378P38.4Very low32.1Very low123 Ų123126.9 Ų126.980%0.79972%0.72SS**  trans-132147.2146.937.6-26.3000116.2
379T30.5Very low32.4Very low126 Ų126127.4 Ų127.477%0.77373%0.727SS**  trans-66.9167166.5-40.30000112.5
380F33.7Very low32.2Very low188 Ų188128.6 Ų128.683%0.82573%0.733SS**  -177.2132.9125.8-106.9-71.2000115.7
381T32.5Very low32.3Very low117 Ų117127.8 Ų127.872%0.71873%0.725SS**  trans49.1124.5155.4390000121.2
382A31.1Very low32.5Very low86 Ų86128.8 Ų128.871%0.71174%0.735SS**  76.115170.300000113.7
383T32.8Very low32.6Very low114 Ų114125.4 Ų125.470%0.69974%0.738SS**  cis-160.6162.719.1-29.90000110.8
384T33Very low32.7Very low126 Ų126123.3 Ų123.377%0.77375%0.745SS**  trans61.8164.6155.5480000118.5
385T30.2Very low32.9Very low114 Ų114122.6 Ų122.670%0.69975%0.745SS**  cis-170.7173.7-27.4-85.70000107.4
386S36.1Very low32.9Very low94 Ų94123.6 Ų123.666%0.65775%0.745SS**  trans72.6110.1167.720.50000115.9
387T29.6Very low33Very low123 Ų123120.4 Ų120.476%0.75574%0.736SS**  83.915163.1640000114.4
388I34.4Very low32.5Very low156 Ų156126.1 Ų126.180%0.875%0.745SS**  trans76.3141.3166.1-64.4160.6000115.5
389T33.8Very low32.5Very low103 Ų103125.4 Ų125.463%0.63274%0.74SS**  cis-169.4124.9-22.9-91.30000109.8
390T30Very low33Very low110 Ų110124.4 Ų124.468%0.67574%0.736SS**  trans41.6168.8152.772.70000123.9
391Q32.4Very low33.1Very low165 Ų165123 Ų12377%0.77174%0.736SS**  trans75.5102.4158.8-71.5174.560.700116.2
392T30.8Very low33.2Very low135 Ų135122.1 Ų122.183%0.82873%0.734SS**  70.6131.873.361.40000114.3
393G31.9Very low33.3Very low68 Ų68122 Ų12270%0.70173%0.728SS**  trans149.438.8157.600000122.2
394A30.9Very low33.5Very low99 Ų99123.9 Ų123.982%0.81873%0.732SS**  trans58.1-169.7147.700000120.3
395T33.2Very low33.5Very low108 Ų108124.1 Ų124.166%0.66373%0.729SS**  trans63.1114.9168.450.90000120.5
396E33.2Very low33.6Very low177 Ų177125.3 Ų125.383%0.82773%0.73SS**  69.1150.5125.9-67.7167.5-157.800120.6
397S32.9Very low33.6Very low91 Ų91128.3 Ų128.364%0.63674%0.738SS**  cis-168.4134.6-18.154.90000112.8
398Y31.6Very low33.7Very low225 Ų225125.7 Ų125.788%0.88274%0.736SS**  trans61.6163.7139.7-87.2-105.2000119.9
399P38.1Very low34Very low108 Ų108124.8 Ų124.870%0.70174%0.74SS**  trans-130.8-107-134.127.2-0.4000118.2
400P41.8Very low33.9Very low106 Ų106123.4 Ų123.469%0.68875%0.746SS**  -111.4-175.6-112.141.4-28000113.5
401I35.2Very low34Very low158 Ų158129.3 Ų129.381%0.8176%0.757SS**  trans-162.1115.7154.9-102.8143.6000106.3
402S34.4Very low34.1Very low99 Ų99127.2 Ų127.269%0.69276%0.758SS**  72.8152.299.5120.70000113.8
403S34.1Very low34Very low84 Ų84131.9 Ų131.959%0.58776%0.76SS**  cis-172.5-175.1-5.2450000108.9
404I36.7Very low33.9Very low152 Ų152134.6 Ų134.678%0.77976%0.764SS**  trans73.9148.1163.6-56151.6000115.2
405N32.8Very low33.8Very low132 Ų132135 Ų13571%0.70676%0.756SS**  cis-175.4154.5-47.3-118.5-18.9000109.1
406L32.8Very low33.7Very low138 Ų138135.8 Ų135.872%0.72376%0.761SS**  trans66.4143.2150.8-9262000122.5
407L34.6Very low33.3Very low158 Ų158132 Ų13283%0.82775%0.753SS**  trans60.5123.8151.4-89.662.4000121.4
408G32.3Very low33.3Very low68 Ų68134.8 Ų134.870%0.70176%0.76SS**  trans-106.4-154.1139.800000109.5
409P40.4Very low33.2Very low137 Ų137129.1 Ų129.189%0.8975%0.753SS**  cis-122.6168.8-5.940.8-27.9000113.4
410G32.6Very low32.7Very low73 Ų73130.2 Ų130.275%0.75376%0.758SS**  trans-176.5136.616900000115.1
411Y30.8Very low32.1Very low234 Ų234131.4 Ų131.492%0.91876%0.764SS**  trans-77.9154.3155.7-79.5-94.1000108.7
412P34.2Very low31.9Very low121 Ų121131.2 Ų131.279%0.78676%0.763SS**  -138.6157.4104.636.9-25.8000114.9
413R29Very low31.9Very low233 Ų233131.2 Ų131.288%0.87977%0.769SS**  trans-91.3150158.5168.1-174.3176.6-171.20.3107.8
414T29.6Very low31.6Very low126 Ų126134 Ų13477%0.77378%0.777SS**  trans129.7152.2167.755.30000110.1
415T28.8Very low31.5Very low108 Ų108132.8 Ų132.866%0.66378%0.777SS**  cis-162.4173.4-30.9-68.50000105.3
416T30.7Very low31.6Very low124 Ų124132.3 Ų132.376%0.76178%0.78SS**  trans69.2144.7155.930.80000117.5
417C26.2Very low31.8Very low98 Ų98130.6 Ų130.666%0.66278%0.779SS**  cis-171.3-177.9-16.747.50000110.9
418L31.8Very low31.9Very low149 Ų149128.7 Ų128.778%0.7877%0.774SS**  trans83.6116.4155-65170.3000121.1
419S30.8Very low32.2Very low105 Ų105132.4 Ų132.473%0.73478%0.778SS**  80.791.6125.7-57.40000121.7
420T26.3Very low31.9Very low132 Ų132131 Ų13181%0.8177%0.771SS**  -105.4159120.258.80000107.6
421T30.9Very low32.6Very low131 Ų131133.8 Ų133.880%0.80478%0.776SS**  cis-154.9171.813.5-25.30000109.6
422L30.2Very low32.9Very low154 Ų154128.6 Ų128.681%0.80677%0.769SS**  trans132105.8133.4-168.772.4000115.1
423A34Very low33Very low98 Ų98128.1 Ų128.181%0.8177%0.769SS**  trans-161.5117.7144.200000109.1
424N28.7Very low33.4Very low142 Ų142121.5 Ų121.576%0.75976%0.758SS**  trans-80.8157.6162.9-67.2-22.8000108.9
425T34Very low33.7Very low127 Ų127122 Ų12278%0.77976%0.761SS**  -178.2131.1117.830.80000114.7
426T35.2Very low34Very low123 Ų123122.7 Ų122.776%0.75577%0.77SS**  trans65.9145.3139.157.60000124.9
427S36.4Very low34.2Very low101 Ų101121 Ų12171%0.70677%0.768SS**  trans74.3141.5141.2520000122
428T37.4Very low34.6Very low118 Ų118123.2 Ų123.272%0.72478%0.779SS**  cis-166.9174.3-22.835.50000110.7
429D38.4Very low34.5Very low146 Ų146121.9 Ų121.978%0.78178%0.776SS**  trans88.6163.8149-57-47.5000122
430S34.3Very low34.6Very low107 Ų107124.6 Ų124.675%0.74878%0.782SS**  trans-137.8-179.9-160.5-47.40000112.4
431P46.8Very low34.8Very low132 Ų132121.9 Ų121.986%0.85777%0.769SS**  -149.8-157.2104.239.4-20.3000115.1
432T36.5Very low35.1Very low125 Ų125123.5 Ų123.577%0.76777%0.767SS**  trans-139.3-175.5-150.455.20000115.9
433S36.8Very low35.1Very low112 Ų112121.7 Ų121.778%0.78376%0.758SS**  trans98153.2158.881.30000119.6
434S37.9Very low35.1Very low93 Ų93123.6 Ų123.665%0.6575%0.754SS**  cis-176.5141.1-33.456.20000114.1
435T36.2Very low35.3Very low138 Ų138126.1 Ų126.185%0.84776%0.762SS**  trans61.6164.9158.564.70000118.4
436S34.6Very low34.9Very low121 Ų121125.6 Ų125.685%0.84676%0.762SS**  cis-148.3-175.81.5-153.10000112.2
437A34.6Very low34.8Very low88 Ų88127 Ų12773%0.72776%0.763SS**  trans-107.1173-17200000115.8
438V34.8Very low34.5Very low146 Ų146126.6 Ų126.689%0.88576%0.76SS**  trans-164.5166.7145.41370000109.9
439V30.8Very low34.1Very low120 Ų120128.2 Ų128.273%0.72776%0.764SS**  trans-127.5174.7-158.4-178.10000112
440L32.7Very low33.7Very low162 Ų162125.7 Ų125.785%0.84876%0.758SS**  trans93.6148.4169.9-52.9169.3000114.6
441S29.8Very low33.6Very low76 Ų76129.1 Ų129.153%0.53176%0.761SS.*  cis156.5116.7-20.8170.40000105.6
442H37.1Very low32.8Very low165 Ų165128.6 Ų128.676%0.76476%0.761SS**  trans160.3123.1133.7-87-56000114.9
443N31Very low32.5Very low116 Ų116126 Ų12662%0.6276%0.758SS**  45.5121.8122.8-68.471.1000122.8
444D32.2Very low32.2Very low138 Ų138125.4 Ų125.474%0.73876%0.761SS**  88.3153.1121-59.6-20.4000123.7
445E33.7Very low31.8Very low195 Ų195127.6 Ų127.691%0.91177%0.77SS**  trans78.3141.7168.1-58.3-154.6116.500121.3
446C25.8Very low31.4Very low115 Ų115129.8 Ų129.878%0.77777%0.768SS**  trans-92.8176-175.7-530000111.4
447I32.7Very low31.2Very low153 Ų153131.8 Ų131.879%0.78577%0.769SS**  175.1101.8115-87.8158.1000112.3
448S29.3Very low30.8Very low93 Ų93132.6 Ų132.665%0.6577%0.768SS**  trans72.4143.9131.290.50000124.6
449L29.6Very low30.5Very low151 Ų151133.2 Ų133.279%0.79177%0.765SS**  trans78.689.6136.2-72.7163.7000123.2
450S30.2Very low30.4Very low94 Ų94133.9 Ų133.966%0.65777%0.765SS**  73.2126.6120.479.30000121.5
451H32.3Very low30.4Very low179 Ų179133.6 Ų133.683%0.82976%0.759SS**  -166.5169.694.8-118.359.8000113.1
452S30.3Very low30.7Very low120 Ų120135.2 Ų135.284%0.83976%0.762SS**  trans-61.2144.2-174.6-52.70000115.3
453G30.5Very low30.8Very low70 Ų70134 Ų13472%0.72276%0.759SS**  trans-147.9-18.9-176.600000120.4
454A29.1Very low31.1Very low100 Ų100135.1 Ų135.183%0.82677%0.765SS**  trans59.8-165.2-179.600000116.2
455V30.5Very low31.4Very low139 Ų139133.6 Ų133.684%0.84276%0.763SS**  trans79.3145-176-1680000115.7
456F27.1Very low31.4Very low184 Ų184131.5 Ų131.581%0.80776%0.757SS**  trans-59.3149.8179.8-76.4-117.7000113.4
457N30.4Very low32.1Very low163 Ų163133.6 Ų133.687%0.87276%0.76SS**  trans-156.7165.5131.8-108.4-18.7000112.4
458C25.8Very low32.3Very low105 Ų105130.8 Ų130.871%0.70976%0.755SS**  trans-124.6127.5-172.8-43.70000109.8
459I30.2Very low32.7Very low159 Ų159132.5 Ų132.582%0.81576%0.763SS**  trans-178153.1169.332.8179.3000108.1
460D28.8Very low33Very low135 Ų135131.9 Ų131.972%0.72277%0.766SS**  cis-165.9-177.7-30.4-140.6-45.2000108.9
461E31.7Very low33.2Very low156 Ų156132.2 Ų132.273%0.72977%0.769SS**  trans64.7154.4156.3-75.3177.2-131.100118.4
462N36.3Very low33.5Very low110 Ų110131.3 Ų131.359%0.58877%0.768SS**  cis-142.5145.5-6.4-99.7-43.9000106.6
463I38.5Very low33.8Very low138 Ų138132.5 Ų132.571%0.70877%0.765SS**  57.8123.276.4-65.6179.4000110.8
464D37.6Very low34Very low140 Ų140134.4 Ų134.475%0.74977%0.768SS**  cis-161.8-161.514.2-133.19.1000110
465P39.2Very low34.2Very low106 Ų106134.5 Ų134.569%0.68876%0.762SS**  -127.6-157.6-69.635.7-14.8000113.2
466L33.4Very low34.8Very low152 Ų152137 Ų13780%0.79677%0.765SS**  trans83.195.5153.3-162.676.9000119.5
467D39.8Very low35.2Very low158 Ų158137.4 Ų137.485%0.84577%0.769SS**  -150.9151.1117.7-143.3-18000110.5
468S37Very low35.3Very low95 Ų95139 Ų13966%0.66477%0.769SS**  trans-119.5137.1-169.6-720000114.1
469P38.6Very low35.9Very low128 Ų128142.7 Ų142.783%0.83178%0.777SS**  trans-82.4152.2-172.833.9-36.5000113.4
470T36.8Very low36.5Very low138 Ų138143.4 Ų143.485%0.84778%0.775SS**  trans-125.4149.6160.7-550000109.2
471S33.4Very low37.1Very low102 Ų102144.5 Ų144.571%0.71378%0.78SS**  trans-69173.1-17950.10000112.3
472I39.4Very low37.6Very low159 Ų159146.1 Ų146.182%0.81579%0.788SS**  cis-149.3123.529.2-57.6162.5000111.3
473D36.6Very low39Very low146 Ų146144 Ų14478%0.78178%0.776SS**  -176.7123.1122.5-174.212.9000108.1
474S33.1Very low40.6Very low110 Ų110144.8 Ų144.877%0.76978%0.777SS**  trans-162.867.9-164.3-70.50000114.4
475S34.9Very low42.8Very low101 Ų101142.9 Ų142.971%0.70677%0.772SS**SBendtrans-149.763.8171.6-82.60000114.2
476Q41.5Very low45.1Very low193 Ų193138.5 Ų138.590%0.90274%0.742SS**SBendtrans-175.8-28.1149.3-106.8148.389.500116.8
477Q37Very low47.9Very low192 Ų192135 Ų13590%0.89773%0.725SS**SBendtrans-96.20.5-165.9-73.4-175.7-14.100116.9
478F32.5Very low50.6Low197 Ų197127.6 Ų127.686%0.86469%0.685SS**SBendtrans-105.311.4-168.8-113.3-82000117.1
479M37.3Very low53.4Low182 Ų182128 Ų12890%0.89768%0.675SS**  trans-106.69.7-172.5-73.9-168.716600116.4
480K44.1Very low56.1Low174 Ų174127.5 Ų127.576%0.75766%0.662SS**SBendtrans-94.7-12.2-171.6-149.8158.8-171166.40116.3I483K480-I483 WeakPolarHBondContact O-CD1 3.5Å
481D40.2Very low58.9Low157 Ų157121.6 Ų121.684%0.8463%0.625SS**SBendtrans-118.3-4.3-174.5-74.2-58.6000115.8I483D481-I483 PolarHBondContact O-N 2.95Å
482Q43Very low61.9Low190 Ų190116.7 Ų116.789%0.88859%0.591SS**  trans-80.656.4163.8-68.9-159.440.500111.2
483I65.8Low64.6Low67 Ų67110.5 Ų110.534%0.34456%0.563SS.*  trans-95.8110.6178.8-64.7179.9000109K480 D481 W531K480-I483 WeakPolarHBondContact O-CD1 3.5Å; D481-I483 PolarHBondContact O-N 2.95Å; I483-W531 HydrophobicContact CG2-CZ2 4.33Å
484E71.2Confident67.5Low154 Ų154106 Ų10672%0.7254%0.541SS*.  trans-48.3137.2-177.1-165.9177.6-169.200112.8L486E484-L486 PolarHBondContact O-N 2.87Å
485P83.5Confident70.4Confident99 Ų99100.8 Ų100.864%0.64350%0.504SS*.  trans-71.694-174.628.4-35.4000112.6W531P485-W531 HydrophobicContact CB-CG 4.26Å
486L88.1Confident73.3Confident14 Ų14100.9 Ų100.97%0.07349%0.489CS..  trans-61.5135.8-172.4-55.7-175.8000114.2E484 T488 I491 W531 R543 Q546E484-L486 PolarHBondContact O-N 2.87Å; L486-T488 PolarHBondContact O-N 3.22Å; L486-I491 HydrophobicContact CB-CD1 3.81Å; L486-I491 HydrophobicContact CD1-CD1 4.2Å; L486-W531 HydrophobicContact CB-CD2 4.38Å; L486-W531 HydrophobicContact CB-CE3 3.84Å; L486-W531 HydrophobicContact CB-CH2 4.16Å; L486-W531 HydrophobicContact CB-CZ3 3.74Å; L486-W531 HydrophobicContact CD1-CH2 3.69Å; L486-W531 HydrophobicContact CD1-CZ3 3.72Å; L486-W531 HydrophobicContact CG-CE3 4.35Å; L486-W531 HydrophobicContact CG-CH2 3.74Å; L486-W531 HydrophobicContact CG-CZ2 4.24Å; L486-W531 HydrophobicContact CG-CZ3 3.82Å; L486-R543 HydrophobicContact CD1-CG 4.07Å; L486-Q546 HydrophobicContact CD1-CB 4.38Å; L486-Q546 VanDerWaalsContact CD2-OE1 3.25Å
487N93Very high75.9Confident79 Ų7996.7 Ų96.742%0.42247%0.473SS..  trans-7093173-172.6-4.4000111.7F489 E490 I491N487-F489 PolarHBondContact O-N 3.38Å; N487-F489 PolarHBondContact OD1-N 2.97Å; N487-E490 HydrophobicContact CB-CB 4.05Å; N487-E490 VanDerWaalsContact ND2-CB 3.27Å; N487-E490 WeakPolarHBondContact ND2-CB 3.45Å; N487-E490 PolarHBondContact ND2-OE2 2.96Å; N487-E490 PolarHBondContact O-N 2.96Å; N487-E490 PolarHBondContact OD1-N 3.43Å; N487-I491 WeakPolarHBondContact O-CB 3.36Å; N487-I491 WeakPolarHBondContact O-CG1 3.35Å; N487-I491 PolarHBondContact O-N 3.25Å
488T95.4Very high78.7Confident2 Ų289 Ų891%0.01244%0.438CS..Hα-helixtrans-61.5-28.1-178.752.90000113.9L486 A492 R529 P530 W531 L534 Y542L486-T488 PolarHBondContact O-N 3.22Å; T488-A492 VanDerWaalsContact O-CB 3.24Å; T488-A492 WeakPolarHBondContact O-CB 3.26Å; T488-A492 PolarHBondContact O-N 3.01Å; T488-R529 WeakPolarHBondContact CB-O 3.2Å; T488-R529 WeakPolarHBondContact CG2-O 3.35Å; T488-R529 PolarHBondContact OG1-O 3.02Å; T488-R529 VanDerWaalsContact OG1-O 3.05Å; T488-P530 WeakPolarHBondContact OG1-CA 3.44Å; T488-W531 HydrophobicContact CG2-CB 4.32Å; T488-W531 HydrophobicContact CG2-CE3 4.15Å; T488-L534 HydrophobicContact CG2-CD1 3.69Å; T488-Y542 HydrophobicContact CG2-CD1 4Å; T488-Y542 HydrophobicContact CG2-CD2 4.12Å; T488-Y542 HydrophobicContact CG2-CE1 4.1Å; T488-Y542 HydrophobicContact CG2-CE2 4.19Å; T488-Y542 HydrophobicContact CG2-CG 4.02Å; T488-Y542 VanDerWaalsContact O-CE1 3.26Å; T488-Y542 WeakPolarHBondContact O-CE1 3.46Å
489F95.9Very high81.6Confident103 Ų10380 Ų8045%0.45240%0.399SS..Hα-helixtrans-77.2-45.5-177.8-66.2-88.5000111.3N487 A492 A493 P528 P530N487-F489 PolarHBondContact O-N 3.38Å; N487-F489 PolarHBondContact OD1-N 2.97Å; F489-A492 PolarHBondContact O-N 2.82Å; F489-A493 PolarHBondContact O-N 2.85Å; F489-P528 HydrophobicContact CD1-CB 4.21Å; F489-P528 HydrophobicContact CD1-CG 3.57Å; F489-P528 HydrophobicContact CE1-CB 4.43Å; F489-P528 HydrophobicContact CE1-CG 3.95Å; F489-P528 WeakPolarHBondContact CE1-O 3.38Å; F489-P528 HydrophobicContact CG-CG 4.29Å; F489-P530 HydrophobicContact CE2-CB 4.06Å
490E95.6Very high84.2Confident119 Ų11976.6 Ų76.656%0.55639%0.389SS*.Hα-helixtrans-64.5-47.8175.7-178.9-175.9166.800111.6N487 A492 A493 T494N487-E490 HydrophobicContact CB-CB 4.05Å; N487-E490 VanDerWaalsContact ND2-CB 3.27Å; N487-E490 WeakPolarHBondContact ND2-CB 3.45Å; N487-E490 PolarHBondContact ND2-OE2 2.96Å; N487-E490 PolarHBondContact O-N 2.96Å; N487-E490 PolarHBondContact OD1-N 3.43Å; E490-A492 PolarHBondContact O-N 3.2Å; E490-A493 WeakPolarHBondContact O-CA 3.38Å; E490-A493 WeakPolarHBondContact O-CB 3.46Å; E490-A493 PolarHBondContact O-N 3.4Å; E490-T494 PolarHBondContact O-N 3.34Å; E490-T494 PolarHBondContact O-OG1 3.02Å
491I95.9Very high86.6Confident13 Ų1376.3 Ų76.37%0.06739%0.387CS..Hα-helixtrans-56-40.3173.8-69.5166.5000111L486 N487 V495 Y542 L545 Q546 I549L486-I491 HydrophobicContact CB-CD1 3.81Å; L486-I491 HydrophobicContact CD1-CD1 4.2Å; N487-I491 WeakPolarHBondContact O-CB 3.36Å; N487-I491 WeakPolarHBondContact O-CG1 3.35Å; N487-I491 PolarHBondContact O-N 3.25Å; I491-V495 WeakPolarHBondContact O-CB 3.28Å; I491-V495 WeakPolarHBondContact O-CG2 3.39Å; I491-V495 PolarHBondContact O-N 3.17Å; I491-Y542 HydrophobicContact CB-CD1 4.16Å; I491-Y542 HydrophobicContact CG2-CD1 3.78Å; I491-Y542 HydrophobicContact CG2-CE1 4.43Å; I491-L545 HydrophobicContact CG2-CB 3.44Å; I491-L545 VanDerWaalsContact CG2-CB 3.44Å; I491-L545 HydrophobicContact CG2-CD1 3.88Å; I491-L545 HydrophobicContact CG2-CG 4.31Å; I491-Q546 HydrophobicContact CD1-CB 4.08Å; I491-Q546 HydrophobicContact CD1-CG 4.43Å; I491-I549 HydrophobicContact CB-CD1 4.43Å; I491-I549 HydrophobicContact CG1-CD1 4.45Å; I491-I549 HydrophobicContact CG2-CD1 4.02Å
492A96.7Very high89.1Confident0 Ų072.1 Ų72.10%036%0.363CS..Hα-helixtrans-72.6-25.4176.400000113.8T488 F489 E490 R496 L525 P528 Y542T488-A492 VanDerWaalsContact O-CB 3.24Å; T488-A492 WeakPolarHBondContact O-CB 3.26Å; T488-A492 PolarHBondContact O-N 3.01Å; F489-A492 PolarHBondContact O-N 2.82Å; E490-A492 PolarHBondContact O-N 3.2Å; A492-R496 WeakPolarHBondContact O-CG 3.38Å; A492-R496 PolarHBondContact O-NE 2.98Å; A492-L525 HydrophobicContact CB-CD2 4.23Å; A492-P528 HydrophobicContact CB-CB 3.86Å; A492-P528 HydrophobicContact CB-CG 3.91Å; A492-Y542 HydrophobicContact CB-CE1 4.49Å
493A96.2Very high91.4Very high29 Ų2970.5 Ų70.524%0.2436%0.36CS..Hα-helixtrans-74.4-58.7171.300000110.9F489 E490 V495 R496 D497F489-A493 PolarHBondContact O-N 2.85Å; E490-A493 WeakPolarHBondContact O-CA 3.38Å; E490-A493 WeakPolarHBondContact O-CB 3.46Å; E490-A493 PolarHBondContact O-N 3.4Å; A493-V495 PolarHBondContact O-N 2.92Å; A493-V495 VanDerWaalsContact O-N 3.09Å; A493-R496 WeakPolarHBondContact O-CA 3.44Å; A493-R496 WeakPolarHBondContact O-CB 3.46Å; A493-R496 PolarHBondContact O-N 3.46Å; A493-D497 PolarHBondContact O-N 2.97Å
494T95.9Very high92.7Very high51 Ų5167.9 Ų67.931%0.31335%0.347SS..Hα-helixtrans-55.3-35-178-55.30000112.7E490 D497 L498 I549E490-T494 PolarHBondContact O-N 3.34Å; E490-T494 PolarHBondContact O-OG1 3.02Å; T494-D497 PolarHBondContact O-N 3.21Å; T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 WeakPolarHBondContact O-CB 3.47Å; T494-L498 VanDerWaalsContact O-CG 3.29Å; T494-L498 WeakPolarHBondContact O-CG 3.33Å; T494-L498 PolarHBondContact O-N 2.75Å; T494-I549 HydrophobicContact CG2-CD1 4.2Å; T494-I549 HydrophobicContact CG2-CG1 4.34Å; T494-I549 HydrophobicContact CG2-CG2 3.78Å
495V96.1Very high93.6Very high0 Ų063.5 Ų63.50%033%0.333CS..Hα-helixtrans-70.4-39.4173.4174.10000112.5I491 A493 D497 L499 F509 M521 L525 L545 I549I491-V495 WeakPolarHBondContact O-CB 3.28Å; I491-V495 WeakPolarHBondContact O-CG2 3.39Å; I491-V495 PolarHBondContact O-N 3.17Å; A493-V495 PolarHBondContact O-N 2.92Å; A493-V495 VanDerWaalsContact O-N 3.09Å; V495-D497 VanDerWaalsContact C-N 3.28Å; V495-D497 PolarHBondContact O-N 2.82Å; V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 HydrophobicContact CG1-CG 4.2Å; V495-L499 VanDerWaalsContact O-CB 3.26Å; V495-L499 WeakPolarHBondContact O-CB 3.32Å; V495-L499 WeakPolarHBondContact O-CG 3.43Å; V495-L499 PolarHBondContact O-N 2.99Å; V495-F509 HydrophobicContact CG1-CE1 4.45Å; V495-F509 HydrophobicContact CG1-CE2 4.39Å; V495-F509 HydrophobicContact CG1-CZ 4.1Å; V495-M521 HydrophobicContact CG1-CE 4.12Å; V495-L525 HydrophobicContact CB-CD2 3.88Å; V495-L525 HydrophobicContact CG1-CD1 4.04Å; V495-L525 HydrophobicContact CG1-CD2 3.75Å; V495-L545 HydrophobicContact CG1-CD2 4.14Å; V495-L545 HydrophobicContact CG2-CB 4.21Å; V495-L545 HydrophobicContact CG2-CD1 4.39Å; V495-L545 HydrophobicContact CG2-CD2 3.95Å; V495-L545 HydrophobicContact CG2-CG 4.41Å; V495-I549 HydrophobicContact CG2-CD1 3.74Å; V495-I549 HydrophobicContact CG2-CG1 3.82Å
496R95.3Very high94.1Very high104 Ų10461.7 Ų61.739%0.39232%0.316SS..Hα-helixtrans-61.7-41.1174.2-77.1177.6-73.7150.9-3.2110.8A492 A493 L499 T500 L525A492-R496 WeakPolarHBondContact O-CG 3.38Å; A492-R496 PolarHBondContact O-NE 2.98Å; A493-R496 WeakPolarHBondContact O-CA 3.44Å; A493-R496 WeakPolarHBondContact O-CB 3.46Å; A493-R496 PolarHBondContact O-N 3.46Å; R496-L499 PolarHBondContact O-N 3.45Å; R496-T500 WeakPolarHBondContact O-CB 3.12Å; R496-T500 PolarHBondContact O-N 3.42Å; R496-T500 PolarHBondContact O-OG1 3.49Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 4Å; R496-L525 HydrophobicContact CG-CG 4.42Å; R496-L525 PolarHBondContact NE-O 3.44Å
497D95.6Very high94.3Very high104 Ų10470.3 Ų70.356%0.55635%0.347SS*.Hα-helixtrans-72.1-45.4-176.9-62-9.9000111.3A493 T494 V495 L499 T500 K501A493-D497 PolarHBondContact O-N 2.97Å; T494-D497 PolarHBondContact O-N 3.21Å; V495-D497 VanDerWaalsContact C-N 3.28Å; V495-D497 PolarHBondContact O-N 2.82Å; D497-L499 PolarHBondContact O-N 2.94Å; D497-T500 PolarHBondContact O-N 3.31Å; D497-K501 WeakPolarHBondContact O-CB 3.48Å; D497-K501 PolarHBondContact O-N 3.4Å
498L94.6Very high94.1Very high32 Ų3267.9 Ų67.917%0.16833%0.334CS..Hα-helixtrans-60.4-41.5173.2-75.4170.7000112.6T494 T500 H502 W548 I549T494-L498 HydrophobicContact CG2-CD1 4.09Å; T494-L498 WeakPolarHBondContact O-CB 3.47Å; T494-L498 VanDerWaalsContact O-CG 3.29Å; T494-L498 WeakPolarHBondContact O-CG 3.33Å; T494-L498 PolarHBondContact O-N 2.75Å; L498-T500 VanDerWaalsContact C-N 3.34Å; L498-H502 PolarHBondContact O-CD2 2.92Å; L498-H502 VanDerWaalsContact O-CD2 3.31Å; L498-H502 PolarHBondContact O-N 2.93Å; L498-H502 VanDerWaalsContact O-N 3.17Å; L498-W548 HydrophobicContact CB-CH2 4.05Å; L498-W548 HydrophobicContact CB-CZ3 4.06Å; L498-W548 HydrophobicContact CD1-CH2 4.3Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; L498-I549 HydrophobicContact CD1-CG1 4.3Å; L498-I549 HydrophobicContact CD1-CG2 4.34Å
499L94Very high94.1Very high7 Ų767.8 Ų67.84%0.03733%0.333CS..Hα-helixtrans-63-41.4176.3-74.2175.7000111.9V495 R496 D497 N503 I504 Q506 F509 L525V495-L499 HydrophobicContact CG1-CD1 3.82Å; V495-L499 HydrophobicContact CG1-CG 4.2Å; V495-L499 VanDerWaalsContact O-CB 3.26Å; V495-L499 WeakPolarHBondContact O-CB 3.32Å; V495-L499 WeakPolarHBondContact O-CG 3.43Å; V495-L499 PolarHBondContact O-N 2.99Å; R496-L499 PolarHBondContact O-N 3.45Å; D497-L499 PolarHBondContact O-N 2.94Å; L499-N503 PolarHBondContact O-N 3.25Å; L499-I504 HydrophobicContact CD2-CB 3.62Å; L499-I504 HydrophobicContact CD2-CG2 3.42Å; L499-I504 VanDerWaalsContact CD2-CG2 3.42Å; L499-I504 PolarHBondContact O-N 2.82Å; L499-Q506 HydrophobicContact CD1-CG 4.05Å; L499-F509 HydrophobicContact CD1-CG 4.41Å; L499-F509 HydrophobicContact CD2-CB 3.78Å; L499-F509 HydrophobicContact CD2-CD2 3.53Å; L499-F509 HydrophobicContact CD2-CE2 4.36Å; L499-F509 HydrophobicContact CD2-CG 3.86Å; L499-F509 HydrophobicContact CG-CD2 4.37Å; L499-L525 HydrophobicContact CD1-CD1 3.98Å
500T93.2Very high93.9Very high111 Ų11163 Ų6368%0.68131%0.312SS*.Hα-helixtrans-70.8-52.2179.7-53.70000110.8R496 D497 L498 H502 N503R496-T500 WeakPolarHBondContact O-CB 3.12Å; R496-T500 PolarHBondContact O-N 3.42Å; R496-T500 PolarHBondContact O-OG1 3.49Å; D497-T500 PolarHBondContact O-N 3.31Å; L498-T500 VanDerWaalsContact C-N 3.34Å; T500-H502 PolarHBondContact O-N 3.1Å; T500-H502 VanDerWaalsContact O-N 3.14Å; T500-N503 PolarHBondContact O-N 3.25Å
501K93.8Very high93.7Very high168 Ų16865.3 Ų65.373%0.7332%0.316SS*.Hα-helixtrans-54.8-32.1179.3-176.4175.6-176.5174.70113.9D497D497-K501 WeakPolarHBondContact O-CB 3.48Å; D497-K501 PolarHBondContact O-N 3.4Å
502H91.7Very high93.4Very high69 Ų6966.4 Ų66.432%0.31932%0.321SS..THydrogen-bonded Turntrans-107.49180-63.1-63.6000114.4L498 T500 I504 V555L498-H502 PolarHBondContact O-CD2 2.92Å; L498-H502 VanDerWaalsContact O-CD2 3.31Å; L498-H502 PolarHBondContact O-N 2.93Å; L498-H502 VanDerWaalsContact O-N 3.17Å; T500-H502 PolarHBondContact O-N 3.1Å; T500-H502 VanDerWaalsContact O-N 3.14Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 HydrophobicContact CB-CD1 3.71Å; H502-I504 HydrophobicContact CB-CG1 4Å; H502-I504 PolarHBondContact O-N 2.91Å; H502-V555 HydrophobicContact CB-CG1 4.04Å; H502-V555 HydrophobicContact CB-CG2 4.12Å; H502-V555 VanDerWaalsContact CD2-CG2 3.43Å; H502-V555 WeakPolarHBondContact CD2-CG2 3.29Å
503N92.6Very high93.1Very high155 Ų15568.1 Ų68.183%0.82933%0.329SS*.THydrogen-bonded Turntrans50.845.8-179-162.75000113.4L499 T500L499-N503 PolarHBondContact O-N 3.25Å; T500-N503 PolarHBondContact O-N 3.25Å
504I91.6Very high92.8Very high13 Ų1366.9 Ų66.97%0.06732%0.319CS..  trans-98.2116.3-179.2-61.6164000108.7L499 H502 Q506 F509 V555 L558L499-I504 HydrophobicContact CD2-CB 3.62Å; L499-I504 HydrophobicContact CD2-CG2 3.42Å; L499-I504 VanDerWaalsContact CD2-CG2 3.42Å; L499-I504 PolarHBondContact O-N 2.82Å; H502-I504 VanDerWaalsContact C-N 3.31Å; H502-I504 HydrophobicContact CB-CD1 3.71Å; H502-I504 HydrophobicContact CB-CG1 4Å; H502-I504 PolarHBondContact O-N 2.91Å; I504-Q506 PolarHBondContact O-N 3.28Å; I504-F509 HydrophobicContact CG2-CB 4.4Å; I504-V555 HydrophobicContact CD1-CG1 4.32Å; I504-V555 HydrophobicContact CD1-CG2 3.95Å; I504-L558 HydrophobicContact CD1-CD2 4.21Å; I504-L558 HydrophobicContact CG2-CD2 3.48Å; I504-L558 VanDerWaalsContact CG2-CD2 3.48Å
505S91.7Very high92.6Very high62 Ų6271.8 Ų71.843%0.43434%0.336SS..  trans-63.1134.7176.172.40000112R507 Q508 F509S505-R507 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact O-CB 3.42Å; S505-Q508 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact OG-CB 3.48Å; S505-Q508 PolarHBondContact OG-N 3.26Å; S505-F509 PolarHBondContact O-N 3.42Å; S505-F509 VanDerWaalsContact O-N 3.11Å
506Q92.7Very high92.3Very high61 Ų6173.6 Ų73.629%0.28535%0.345SS..Hα-helixtrans-52.4-31174.3-69.4-179.39.700112.5L499 I504 F509 S510 Q518 M521L499-Q506 HydrophobicContact CD1-CG 4.05Å; I504-Q506 PolarHBondContact O-N 3.28Å; Q506-F509 PolarHBondContact O-N 2.94Å; Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q506-Q518 HydrophobicContact CB-CG 4.41Å; Q506-M521 HydrophobicContact CB-CG 4.47Å
507R92.7Very high92.1Very high195 Ų19571.8 Ų71.874%0.73635%0.349SS*.Hα-helixtrans-66.4-35.1177.2-172.7-178.5-178.7-167.41.4113.5S505 R511 Q518S505-R507 PolarHBondContact O-N 3.03Å; R507-R511 WeakPolarHBondContact O-CB 3.36Å; R507-Q518 HydrophobicContact CB-CB 4.18Å; R507-Q518 HydrophobicContact CB-CG 4.05Å; R507-Q518 HydrophobicContact CG-CB 4.32Å
508Q89.7Confident91.7Very high28 Ų2871.2 Ų71.213%0.13134%0.343CS..Hα-helixtrans-73.3-50.4173.7171.6176.1-23.700109.6S505 S510 R511 H512 L558 Q562S505-Q508 WeakPolarHBondContact O-CB 3.42Å; S505-Q508 PolarHBondContact O-N 3.03Å; S505-Q508 WeakPolarHBondContact OG-CB 3.48Å; S505-Q508 PolarHBondContact OG-N 3.26Å; Q508-S510 PolarHBondContact O-N 2.77Å; Q508-R511 PolarHBondContact O-N 3.08Å; Q508-H512 PolarHBondContact O-CD2 3.49Å; Q508-H512 VanDerWaalsContact O-CD2 3.22Å; Q508-H512 PolarHBondContact O-N 2.97Å; Q508-L558 HydrophobicContact CG-CD1 4.13Å; Q508-L558 HydrophobicContact CG-CD2 4.48Å; Q508-L558 HydrophobicContact CG-CG 4.32Å; Q508-L558 PolarHBondContact NE2-O 2.95Å; Q508-Q562 VanDerWaalsContact CD-NE2 3.34Å; Q508-Q562 VanDerWaalsContact NE2-CG 3.27Å; Q508-Q562 VanDerWaalsContact NE2-NE2 3.13Å
509F93.4Very high91.7Very high0 Ų071.6 Ų71.60%035%0.354CS..Hα-helixtrans-54.5-53.8178.5-174.4-80.7000112.3V495 L499 I504 S505 Q506 R511 H512 I513 L514 M521 L545 W548 L558V495-F509 HydrophobicContact CG1-CE1 4.45Å; V495-F509 HydrophobicContact CG1-CE2 4.39Å; V495-F509 HydrophobicContact CG1-CZ 4.1Å; L499-F509 HydrophobicContact CD1-CG 4.41Å; L499-F509 HydrophobicContact CD2-CB 3.78Å; L499-F509 HydrophobicContact CD2-CD2 3.53Å; L499-F509 HydrophobicContact CD2-CE2 4.36Å; L499-F509 HydrophobicContact CD2-CG 3.86Å; L499-F509 HydrophobicContact CG-CD2 4.37Å; I504-F509 HydrophobicContact CG2-CB 4.4Å; S505-F509 PolarHBondContact O-N 3.42Å; S505-F509 VanDerWaalsContact O-N 3.11Å; Q506-F509 PolarHBondContact O-N 2.94Å; F509-R511 VanDerWaalsContact C-N 3.27Å; F509-R511 PolarHBondContact O-N 2.81Å; F509-H512 PolarHBondContact O-N 3.41Å; F509-I513 HydrophobicContact CD2-CD1 3.41Å; F509-I513 VanDerWaalsContact CD2-CD1 3.41Å; F509-I513 HydrophobicContact CE1-CB 4.28Å; F509-I513 HydrophobicContact CE1-CG2 4.23Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.03Å; F509-I513 HydrophobicContact CZ-CB 4.29Å; F509-I513 HydrophobicContact CZ-CD1 4.01Å; F509-I513 HydrophobicContact CZ-CG2 4.01Å; F509-I513 PolarHBondContact O-N 3.05Å; F509-L514 HydrophobicContact CE1-CD1 4.46Å; F509-L514 HydrophobicContact CE1-CG 4.04Å; F509-M521 HydrophobicContact CD1-CE 3.32Å; F509-M521 HydrophobicContact CD1-SD 3.58Å; F509-M521 VanDerWaalsContact CD1-SD 3.58Å; F509-M521 HydrophobicContact CE1-CE 3.34Å; F509-M521 HydrophobicContact CE1-SD 3.86Å; F509-M521 HydrophobicContact CG-CE 4.36Å; F509-M521 HydrophobicContact CZ-CE 4.35Å; F509-L545 HydrophobicContact CE1-CD2 3.47Å; F509-L545 VanDerWaalsContact CE1-CD2 3.47Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; F509-W548 HydrophobicContact CD2-CH2 4.27Å; F509-W548 HydrophobicContact CD2-CZ2 4.14Å; F509-W548 AromaticContact CE2-CD2 3.5Å; F509-W548 HydrophobicContact CE2-CD2 3.5Å; F509-W548 VanDerWaalsContact CE2-CD2 3.5Å; F509-W548 AromaticContact CE2-CE2 3.59Å; F509-W548 AromaticContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CG 4.21Å; F509-W548 AromaticContact CE2-CH2 3.74Å; F509-W548 HydrophobicContact CE2-CH2 3.74Å; F509-W548 AromaticContact CE2-CZ2 3.73Å; F509-W548 HydrophobicContact CE2-CZ2 3.73Å; F509-W548 AromaticContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CZ-CD2 4.02Å; F509-W548 AromaticContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CG 4.43Å; F509-W548 HydrophobicContact CZ-CZ3 4.36Å; F509-L558 HydrophobicContact CD2-CD2 4.23Å
510S93.5Very high91.6Very high3 Ų374.4 Ų74.42%0.02137%0.372CS..Iπ-helixtrans-59.2-39.6-176.586.10000111.8Q506 Q508 K515 L516 Q518Q506-S510 VanDerWaalsContact O-CB 3.31Å; Q506-S510 WeakPolarHBondContact O-CB 3.48Å; Q506-S510 PolarHBondContact O-N 3.42Å; Q508-S510 PolarHBondContact O-N 2.77Å; S510-K515 CarbonylContact O-C 3.45Å; S510-K515 VanDerWaalsContact O-CA 3.24Å; S510-K515 WeakPolarHBondContact O-CA 3.43Å; S510-K515 PolarHBondContact O-N 3Å; S510-L516 CarbonylContact C-O 3.39Å; S510-L516 VanDerWaalsContact CB-O 3.25Å; S510-L516 WeakPolarHBondContact CB-O 3.29Å; S510-L516 PolarHBondContact O-N 3.45Å; S510-L516 PolarHBondContact OG-O 3.44Å; S510-Q518 PolarHBondContact OG-N 3.18Å
511R90.8Very high91.6Very high166 Ų16669.1 Ų69.163%0.62634%0.339SS*.Iπ-helixtrans-72.6-36.4-178.4-175.9174.1-175.9-177.30.5113R507 Q508 F509R507-R511 WeakPolarHBondContact O-CB 3.36Å; Q508-R511 PolarHBondContact O-N 3.08Å; F509-R511 VanDerWaalsContact C-N 3.27Å; F509-R511 PolarHBondContact O-N 2.81Å
512H89Confident91.6Very high36 Ų3663.1 Ų63.117%0.16732%0.318CS..Iπ-helixtrans-92.9-38.6-172.5-77.1-100.6000113.2Q508 F509 K515 L558 T561 R565Q508-H512 PolarHBondContact O-CD2 3.49Å; Q508-H512 VanDerWaalsContact O-CD2 3.22Å; Q508-H512 PolarHBondContact O-N 2.97Å; F509-H512 PolarHBondContact O-N 3.41Å; H512-K515 PolarHBondContact O-NZ 3.23Å; H512-L558 HydrophobicContact CB-CD1 3.56Å; H512-T561 WeakPolarHBondContact CE1-CG2 3.42Å; H512-T561 PolarHBondContact CE1-O 3.4Å; H512-T561 VanDerWaalsContact ND1-CG2 3.31Å; H512-T561 WeakPolarHBondContact ND1-CG2 3.41Å; H512-R565 PolarHBondContact CE1-NH1 2.95Å; H512-R565 PolarHBondContact CE1-NH2 3.1Å; H512-R565 PolarHBondContact NE2-NH1 2.93Å
513I90.3Very high91.7Very high36 Ų3665.4 Ų65.419%0.18533%0.329CS..Iπ-helixtrans-97.4-72.3-173.8-66.2149.3000110.3F509 K515 W548 L558F509-I513 HydrophobicContact CD2-CD1 3.41Å; F509-I513 VanDerWaalsContact CD2-CD1 3.41Å; F509-I513 HydrophobicContact CE1-CB 4.28Å; F509-I513 HydrophobicContact CE1-CG2 4.23Å; F509-I513 HydrophobicContact CE2-CD1 3.44Å; F509-I513 VanDerWaalsContact CE2-CD1 3.44Å; F509-I513 HydrophobicContact CG-CD1 4.03Å; F509-I513 HydrophobicContact CZ-CB 4.29Å; F509-I513 HydrophobicContact CZ-CD1 4.01Å; F509-I513 HydrophobicContact CZ-CG2 4.01Å; F509-I513 PolarHBondContact O-N 3.05Å; I513-K515 VanDerWaalsContact C-N 3.26Å; I513-K515 PolarHBondContact O-N 3.32Å; I513-W548 HydrophobicContact CD1-CD2 4.24Å; I513-W548 HydrophobicContact CD1-CG 4.09Å; I513-W548 HydrophobicContact CD1-CZ2 4.43Å; I513-W548 HydrophobicContact CG2-CB 4.17Å; I513-W548 HydrophobicContact CG2-CG 4.19Å; I513-L558 HydrophobicContact CD1-CD1 3.96Å; I513-L558 HydrophobicContact CD1-CD2 3.83Å; I513-L558 HydrophobicContact CD1-CG 4.34Å; I513-L558 HydrophobicContact CG1-CD1 4.43Å
514L90.8Very high91.8Very high4 Ų459.3 Ų59.32%0.02130%0.296CS..Iπ-helixtrans-72.4-14-177.2-60.9-167.8000115.2F509 L516 M521 L524 S541 R544 L545F509-L514 HydrophobicContact CE1-CD1 4.46Å; F509-L514 HydrophobicContact CE1-CG 4.04Å; L514-L516 HydrophobicContact CB-CB 4.25Å; L514-L516 HydrophobicContact CB-CD1 3.95Å; L514-L516 HydrophobicContact CB-CG 3.83Å; L514-L516 HydrophobicContact CD1-CD1 3.83Å; L514-L516 PolarHBondContact O-N 3.01Å; L514-M521 HydrophobicContact CD1-CE 4.3Å; L514-M521 HydrophobicContact CD1-SD 3.62Å; L514-M521 HydrophobicContact CG-SD 4.29Å; L514-L524 HydrophobicContact CD1-CD2 3.71Å; L514-S541 WeakPolarHBondContact CD2-O 3.45Å; L514-R544 HydrophobicContact CD2-CB 3.42Å; L514-R544 VanDerWaalsContact CD2-CB 3.42Å; L514-L545 HydrophobicContact CD1-CD2 3.81Å; L514-L545 HydrophobicContact CD1-CG 4.1Å; L514-L545 HydrophobicContact CD2-CD2 3.98Å; L514-L545 HydrophobicContact CD2-CG 4.17Å; L514-L545 HydrophobicContact CG-CD2 4.07Å
515K90.9Very high92Very high154 Ų15458.7 Ų58.767%0.6729%0.294SS*.  trans57.527.5-169.7-38.1-57.5-176.2-1740113.9S510 H512 I513S510-K515 CarbonylContact O-C 3.45Å; S510-K515 VanDerWaalsContact O-CA 3.24Å; S510-K515 WeakPolarHBondContact O-CA 3.43Å; S510-K515 PolarHBondContact O-N 3Å; H512-K515 PolarHBondContact O-NZ 3.23Å; I513-K515 VanDerWaalsContact C-N 3.26Å; I513-K515 PolarHBondContact O-N 3.32Å
516L91.2Very high92Very high37 Ų3759.3 Ų59.319%0.19430%0.298CS..  trans-98.6163.7-178.7-65.6-179.5000113.2S510 L514 T520S510-L516 CarbonylContact C-O 3.39Å; S510-L516 VanDerWaalsContact CB-O 3.25Å; S510-L516 WeakPolarHBondContact CB-O 3.29Å; S510-L516 PolarHBondContact O-N 3.45Å; S510-L516 PolarHBondContact OG-O 3.44Å; L514-L516 HydrophobicContact CB-CB 4.25Å; L514-L516 HydrophobicContact CB-CD1 3.95Å; L514-L516 HydrophobicContact CB-CG 3.83Å; L514-L516 HydrophobicContact CD1-CD1 3.83Å; L514-L516 PolarHBondContact O-N 3.01Å; L516-T520 HydrophobicContact CD1-CG2 4.21Å; L516-T520 HydrophobicContact CD2-CG2 4.5Å
517S89.7Confident92Very high67 Ų6763.9 Ų63.947%0.46932%0.317SS..  trans-67.9152.5168.395.30000110.9G519 T520 M521S517-G519 VanDerWaalsContact C-N 3.28Å; S517-G519 PolarHBondContact O-N 2.9Å; S517-G519 PolarHBondContact OG-N 2.91Å; S517-T520 PolarHBondContact O-N 2.89Å; S517-T520 PolarHBondContact OG-N 2.65Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 3.3Å; S517-M521 WeakPolarHBondContact O-CB 3.31Å; S517-M521 PolarHBondContact O-N 3.36Å
518Q88.7Confident92.1Very high92 Ų9255.7 Ų55.743%0.4329%0.288SS..Hα-helixtrans-64.2-32.8177.9175.7-84.4-34.900112.3Q506 R507 S510 M521 S522Q506-Q518 HydrophobicContact CB-CG 4.41Å; R507-Q518 HydrophobicContact CB-CB 4.18Å; R507-Q518 HydrophobicContact CB-CG 4.05Å; R507-Q518 HydrophobicContact CG-CB 4.32Å; S510-Q518 PolarHBondContact OG-N 3.18Å; Q518-M521 PolarHBondContact O-N 2.97Å; Q518-S522 VanDerWaalsContact O-CB 3.29Å; Q518-S522 WeakPolarHBondContact O-CB 3.3Å; Q518-S522 PolarHBondContact O-N 3.39Å
519G92.9Very high92.3Very high40 Ų4061.8 Ų61.841%0.41231%0.31SS..Hα-helixtrans-64.9-47.5174.200000111.7S517 M521 S522 E523S517-G519 VanDerWaalsContact C-N 3.28Å; S517-G519 PolarHBondContact O-N 2.9Å; S517-G519 PolarHBondContact OG-N 2.91Å; G519-M521 VanDerWaalsContact C-N 3.31Å; G519-M521 PolarHBondContact O-N 3.34Å; G519-S522 PolarHBondContact O-N 2.89Å; G519-S522 VanDerWaalsContact O-N 3.14Å; G519-E523 PolarHBondContact O-N 3.24Å
520T92.4Very high92.3Very high65 Ų6563.1 Ų63.140%0.39932%0.319SS..Hα-helixtrans-60.6-40.3176.2-43.40000111.7L516 S517 L524L516-T520 HydrophobicContact CD1-CG2 4.21Å; L516-T520 HydrophobicContact CD2-CG2 4.5Å; S517-T520 PolarHBondContact O-N 2.89Å; S517-T520 PolarHBondContact OG-N 2.65Å; S517-T520 VanDerWaalsContact OG-N 3.1Å; S517-T520 PolarHBondContact OG-OG1 3.3Å; T520-L524 VanDerWaalsContact O-CB 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.27Å; T520-L524 PolarHBondContact O-N 3.48Å
521M93.2Very high92.3Very high0 Ų064.8 Ų64.80%033%0.325CS..Hα-helixtrans-63.1-43.8173.9-175.477.6-15200112.2V495 Q506 F509 L514 S517 Q518 G519 L524 L525 L545V495-M521 HydrophobicContact CG1-CE 4.12Å; Q506-M521 HydrophobicContact CB-CG 4.47Å; F509-M521 HydrophobicContact CD1-CE 3.32Å; F509-M521 HydrophobicContact CD1-SD 3.58Å; F509-M521 VanDerWaalsContact CD1-SD 3.58Å; F509-M521 HydrophobicContact CE1-CE 3.34Å; F509-M521 HydrophobicContact CE1-SD 3.86Å; F509-M521 HydrophobicContact CG-CE 4.36Å; F509-M521 HydrophobicContact CZ-CE 4.35Å; L514-M521 HydrophobicContact CD1-CE 4.3Å; L514-M521 HydrophobicContact CD1-SD 3.62Å; L514-M521 HydrophobicContact CG-SD 4.29Å; S517-M521 WeakPolarHBondContact O-CB 3.31Å; S517-M521 PolarHBondContact O-N 3.36Å; Q518-M521 PolarHBondContact O-N 2.97Å; G519-M521 VanDerWaalsContact C-N 3.31Å; G519-M521 PolarHBondContact O-N 3.34Å; M521-L524 PolarHBondContact O-N 3.16Å; M521-L525 HydrophobicContact CE-CD1 3.51Å; M521-L525 HydrophobicContact CE-CD2 4Å; M521-L525 HydrophobicContact CE-CG 3.73Å; M521-L525 WeakPolarHBondContact O-CG 3.31Å; M521-L525 PolarHBondContact O-N 3.05Å; M521-L545 HydrophobicContact CE-CD2 4.07Å
522S94.6Very high92.4Very high42 Ų4265 Ų6529%0.29433%0.327SS..Hα-helixtrans-66.2-41-179.4-1690000111.3Q518 G519 S526Q518-S522 VanDerWaalsContact O-CB 3.29Å; Q518-S522 WeakPolarHBondContact O-CB 3.3Å; Q518-S522 PolarHBondContact O-N 3.39Å; G519-S522 PolarHBondContact O-N 2.89Å; G519-S522 VanDerWaalsContact O-N 3.14Å; S522-S526 VanDerWaalsContact O-CB 3.25Å; S522-S526 WeakPolarHBondContact O-CB 3.39Å; S522-S526 PolarHBondContact O-N 2.93Å; S522-S526 PolarHBondContact O-OG 3.26Å
523E93.7Very high92.5Very high118 Ų11871.4 Ų71.455%0.55135%0.35SS*.Hα-helixtrans-64.6-44.4173-172.2172.3-163.800111.8G519 L525 S526 K527G519-E523 PolarHBondContact O-N 3.24Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.02Å; E523-S526 PolarHBondContact O-N 3.1Å; E523-K527 PolarHBondContact O-N 3.02Å
524L94.4Very high92.6Very high26 Ų2670.7 Ų70.714%0.13635%0.346CS..Hα-helixtrans-57.5-40.9177.5-168.273.4000112.7L514 T520 M521 Y542 L545L514-L524 HydrophobicContact CD1-CD2 3.71Å; T520-L524 VanDerWaalsContact O-CB 3.29Å; T520-L524 WeakPolarHBondContact O-CB 3.27Å; T520-L524 PolarHBondContact O-N 3.48Å; M521-L524 PolarHBondContact O-N 3.16Å; L524-Y542 HydrophobicContact CD1-CD2 4.29Å; L524-Y542 HydrophobicContact CD1-CE2 3.44Å; L524-Y542 VanDerWaalsContact CD1-CE2 3.44Å; L524-Y542 HydrophobicContact CG-CE2 4.19Å; L524-Y542 PolarHBondContact O-OH 2.81Å; L524-Y542 VanDerWaalsContact O-OH 3.1Å; L524-L545 HydrophobicContact CD2-CD1 4.08Å
525L94.9Very high92.6Very high1 Ų175.4 Ų75.41%0.00538%0.375CS..Hα-helixtrans-84.1-30.4-180-66.7-178.3000114.6A492 V495 R496 L499 M521 E523 L545A492-L525 HydrophobicContact CB-CD2 4.23Å; V495-L525 HydrophobicContact CB-CD2 3.88Å; V495-L525 HydrophobicContact CG1-CD1 4.04Å; V495-L525 HydrophobicContact CG1-CD2 3.75Å; R496-L525 HydrophobicContact CG-CB 3.98Å; R496-L525 HydrophobicContact CG-CD1 4Å; R496-L525 HydrophobicContact CG-CG 4.42Å; R496-L525 PolarHBondContact NE-O 3.44Å; L499-L525 HydrophobicContact CD1-CD1 3.98Å; M521-L525 HydrophobicContact CE-CD1 3.51Å; M521-L525 HydrophobicContact CE-CD2 4Å; M521-L525 HydrophobicContact CE-CG 3.73Å; M521-L525 WeakPolarHBondContact O-CG 3.31Å; M521-L525 PolarHBondContact O-N 3.05Å; E523-L525 VanDerWaalsContact C-N 3.32Å; E523-L525 PolarHBondContact O-N 3.02Å; L525-L545 HydrophobicContact CD2-CD1 4.27Å
526S93.3Very high92.6Very high74 Ų7470.9 Ų70.952%0.51737%0.366SS..Hα-helixtrans-89.1-26-177.359.80000113.4S522 E523 P528S522-S526 VanDerWaalsContact O-CB 3.25Å; S522-S526 WeakPolarHBondContact O-CB 3.39Å; S522-S526 PolarHBondContact O-N 2.93Å; S522-S526 PolarHBondContact O-OG 3.26Å; E523-S526 PolarHBondContact O-N 3.1Å; S526-P528 VanDerWaalsContact C-CD 3.49Å
527K92.7Very high92.4Very high158 Ų15878.3 Ų78.369%0.68739%0.392SS*.SBendtrans-135.360.8179.3-61.4-172.6-179.5-1750110.8E523 R529E523-K527 PolarHBondContact O-N 3.02Å; K527-R529 PolarHBondContact O-N 3.39Å
528P94.4Very high92.6Very high22 Ų2275.7 Ų75.714%0.14338%0.375CS..  trans-55.8139174.525-34.9000111.1F489 A492 S526 Y542F489-P528 HydrophobicContact CD1-CB 4.21Å; F489-P528 HydrophobicContact CD1-CG 3.57Å; F489-P528 HydrophobicContact CE1-CB 4.43Å; F489-P528 HydrophobicContact CE1-CG 3.95Å; F489-P528 WeakPolarHBondContact CE1-O 3.38Å; F489-P528 HydrophobicContact CG-CG 4.29Å; A492-P528 HydrophobicContact CB-CB 3.86Å; A492-P528 HydrophobicContact CB-CG 3.91Å; S526-P528 VanDerWaalsContact C-CD 3.49Å; P528-Y542 VanDerWaalsContact CA-OH 3.31Å; P528-Y542 WeakPolarHBondContact CA-OH 3.44Å; P528-Y542 VanDerWaalsContact CB-OH 3.31Å; P528-Y542 WeakPolarHBondContact CB-OH 3.44Å
529R93.5Very high92.8Very high156 Ų15675.1 Ų75.159%0.58937%0.369SS*.  trans-104.8139.3174.6-67.8176.5177.3-104.5-3.4108.2T488 K527 L534T488-R529 WeakPolarHBondContact CB-O 3.2Å; T488-R529 WeakPolarHBondContact CG2-O 3.35Å; T488-R529 PolarHBondContact OG1-O 3.02Å; T488-R529 VanDerWaalsContact OG1-O 3.05Å; K527-R529 PolarHBondContact O-N 3.39Å; R529-L534 HydrophobicContact CB-CD2 3.9Å
530P93.5Very high92.9Very high29 Ų2975.7 Ų75.719%0.18836%0.363CS..  trans-58.9150179.925.5-34.1000111.4T488 F489 Y532 R533 L534T488-P530 WeakPolarHBondContact OG1-CA 3.44Å; F489-P530 HydrophobicContact CE2-CB 4.06Å; P530-Y532 VanDerWaalsContact C-N 3.27Å; P530-Y532 HydrophobicContact CB-CD1 4Å; P530-Y532 HydrophobicContact CB-CE1 3.56Å; P530-Y532 HydrophobicContact CG-CD1 4.5Å; P530-Y532 HydrophobicContact CG-CE1 3.9Å; P530-Y532 HydrophobicContact CG-CE2 4.45Å; P530-Y532 PolarHBondContact O-N 3.26Å; P530-Y532 VanDerWaalsContact O-N 3.1Å; P530-R533 HydrophobicContact CG-CB 4.1Å; P530-R533 HydrophobicContact CG-CG 4.06Å; P530-R533 WeakPolarHBondContact O-CA 3.47Å; P530-R533 PolarHBondContact O-N 2.88Å; P530-L534 PolarHBondContact O-N 3.39Å
531W94.2Very high93Very high38 Ų3873.2 Ų73.214%0.14435%0.349CS..G310 helixtrans-46.7-43.6-172.3-174.1-110.7000115I483 P485 L486 T488 R533 L534 R539 R543I483-W531 HydrophobicContact CG2-CZ2 4.33Å; P485-W531 HydrophobicContact CB-CG 4.26Å; L486-W531 HydrophobicContact CB-CD2 4.38Å; L486-W531 HydrophobicContact CB-CE3 3.84Å; L486-W531 HydrophobicContact CB-CH2 4.16Å; L486-W531 HydrophobicContact CB-CZ3 3.74Å; L486-W531 HydrophobicContact CD1-CH2 3.69Å; L486-W531 HydrophobicContact CD1-CZ3 3.72Å; L486-W531 HydrophobicContact CG-CE3 4.35Å; L486-W531 HydrophobicContact CG-CH2 3.74Å; L486-W531 HydrophobicContact CG-CZ2 4.24Å; L486-W531 HydrophobicContact CG-CZ3 3.82Å; T488-W531 HydrophobicContact CG2-CB 4.32Å; T488-W531 HydrophobicContact CG2-CE3 4.15Å; W531-R533 VanDerWaalsContact C-N 3.31Å; W531-R533 PolarHBondContact O-N 2.95Å; W531-L534 HydrophobicContact CE3-CD1 4.1Å; W531-L534 WeakPolarHBondContact O-CB 3.44Å; W531-L534 PolarHBondContact O-N 3.42Å; W531-R539 HydrophobicContact CD2-CG 3.98Å; W531-R539 HydrophobicContact CE3-CB 4.33Å; W531-R539 HydrophobicContact CE3-CG 3.82Å; W531-R539 HydrophobicContact CH2-CB 3.73Å; W531-R539 HydrophobicContact CH2-CG 3.94Å; W531-R539 HydrophobicContact CZ2-CB 4.22Å; W531-R539 HydrophobicContact CZ2-CG 4.08Å; W531-R539 HydrophobicContact CZ3-CB 3.77Å; W531-R539 HydrophobicContact CZ3-CG 3.78Å; W531-R539 PolarHBondContact O-NH1 3.29Å; W531-R543 HydrophobicContact CH2-CG 4.02Å
532Y92.1Very high93.1Very high170 Ų17073.3 Ų73.367%0.66735%0.349SS*.G310 helixtrans-71.7-19.4179.764.2-91000113.9P530P530-Y532 VanDerWaalsContact C-N 3.27Å; P530-Y532 HydrophobicContact CB-CD1 4Å; P530-Y532 HydrophobicContact CB-CE1 3.56Å; P530-Y532 HydrophobicContact CG-CD1 4.5Å; P530-Y532 HydrophobicContact CG-CE1 3.9Å; P530-Y532 HydrophobicContact CG-CE2 4.45Å; P530-Y532 PolarHBondContact O-N 3.26Å; P530-Y532 VanDerWaalsContact O-N 3.1Å
533R92.3Very high93.1Very high171 Ų17175.6 Ų75.665%0.64535%0.351SS*.G310 helixtrans-97.312.1173.1-62.6-173.5174.41720.4113.4P530 W531P530-R533 HydrophobicContact CG-CB 4.1Å; P530-R533 HydrophobicContact CG-CG 4.06Å; P530-R533 WeakPolarHBondContact O-CA 3.47Å; P530-R533 PolarHBondContact O-N 2.88Å; W531-R533 VanDerWaalsContact C-N 3.31Å; W531-R533 PolarHBondContact O-N 2.95Å
534L90.8Very high93.2Very high20 Ų2076.2 Ų76.211%0.10535%0.348CS..SBendtrans-93.5144.2171-66176.4000111.5T488 R529 P530 W531 R539 Y542T488-L534 HydrophobicContact CG2-CD1 3.69Å; R529-L534 HydrophobicContact CB-CD2 3.9Å; P530-L534 PolarHBondContact O-N 3.39Å; W531-L534 HydrophobicContact CE3-CD1 4.1Å; W531-L534 WeakPolarHBondContact O-CB 3.44Å; W531-L534 PolarHBondContact O-N 3.42Å; L534-R539 HydrophobicContact CB-CG 3.76Å; L534-R539 HydrophobicContact CD1-CG 4.05Å; L534-R539 PolarHBondContact O-NH1 3.07Å; L534-Y542 HydrophobicContact CD1-CD2 3.38Å; L534-Y542 HydrophobicContact CD1-CE2 3.66Å; L534-Y542 HydrophobicContact CD1-CG 4.29Å; L534-Y542 HydrophobicContact CD2-CD2 4.38Å; L534-Y542 HydrophobicContact CD2-CE2 3.92Å; L534-Y542 HydrophobicContact CG-CE2 4.45Å
535T92.2Very high93.2Very high103 Ų10375 Ų7563%0.63234%0.342SS*.  trans-70.1164.4161.761.50000110R537 G538 R539T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 2.98Å; T535-G538 CarbonylContact O-C 3.51Å; T535-G538 VanDerWaalsContact O-CA 3.29Å; T535-G538 WeakPolarHBondContact O-CA 3.31Å; T535-G538 PolarHBondContact O-N 2.85Å; T535-G538 PolarHBondContact OG1-N 3.05Å; T535-R539 PolarHBondContact O-N 3.11Å
536A89.2Confident93.2Very high59 Ų5978.5 Ų78.549%0.48836%0.358SS..Hα-helixtrans-50.7-48.217500000112.1G538 R539 D540A536-G538 VanDerWaalsContact C-N 3.25Å; A536-G538 PolarHBondContact O-N 3.02Å; A536-R539 CarbonylContact O-C 3.53Å; A536-R539 WeakPolarHBondContact O-CA 3.33Å; A536-R539 WeakPolarHBondContact O-CB 3.4Å; A536-R539 PolarHBondContact O-N 3.23Å; A536-D540 PolarHBondContact O-N 3.47Å
537R88.4Confident93.2Very high193 Ų19378.2 Ų78.273%0.72836%0.36SS*.Hα-helixtrans-61.5-28.7174.6-168.7176.3-175.7165.35.7114.2T535 D540 S541T535-R537 VanDerWaalsContact C-N 3.28Å; T535-R537 PolarHBondContact O-N 2.98Å; R537-D540 WeakPolarHBondContact CA-OD2 3.32Å; R537-S541 PolarHBondContact O-N 2.74Å; R537-S541 PolarHBondContact O-OG 2.92Å
538G92.5Very high93.2Very high12 Ų1271.7 Ų71.712%0.12433%0.331CS..Hα-helixtrans-67.3-5116900000111.1T535 A536 D540 S541 Y542T535-G538 CarbonylContact O-C 3.51Å; T535-G538 VanDerWaalsContact O-CA 3.29Å; T535-G538 WeakPolarHBondContact O-CA 3.31Å; T535-G538 PolarHBondContact O-N 2.85Å; T535-G538 PolarHBondContact OG1-N 3.05Å; A536-G538 VanDerWaalsContact C-N 3.25Å; A536-G538 PolarHBondContact O-N 3.02Å; G538-D540 VanDerWaalsContact C-N 3.32Å; G538-D540 PolarHBondContact O-N 3.12Å; G538-S541 VanDerWaalsContact O-CB 3.29Å; G538-S541 WeakPolarHBondContact O-CB 3.49Å; G538-S541 PolarHBondContact O-N 3.3Å; G538-Y542 WeakPolarHBondContact O-CD2 3.34Å; G538-Y542 PolarHBondContact O-N 3.5Å
539R94.6Very high93.2Very high80 Ų8072.7 Ų72.730%0.30234%0.335SS..Hα-helixtrans-58.3-40.7175.9-66.9-165.6-80.6-96.58.7112.2W531 L534 T535 A536 S541 Y542 R543W531-R539 HydrophobicContact CD2-CG 3.98Å; W531-R539 HydrophobicContact CE3-CB 4.33Å; W531-R539 HydrophobicContact CE3-CG 3.82Å; W531-R539 HydrophobicContact CH2-CB 3.73Å; W531-R539 HydrophobicContact CH2-CG 3.94Å; W531-R539 HydrophobicContact CZ2-CB 4.22Å; W531-R539 HydrophobicContact CZ2-CG 4.08Å; W531-R539 HydrophobicContact CZ3-CB 3.77Å; W531-R539 HydrophobicContact CZ3-CG 3.78Å; W531-R539 PolarHBondContact O-NH1 3.29Å; L534-R539 HydrophobicContact CB-CG 3.76Å; L534-R539 HydrophobicContact CD1-CG 4.05Å; L534-R539 PolarHBondContact O-NH1 3.07Å; T535-R539 PolarHBondContact O-N 3.11Å; A536-R539 CarbonylContact O-C 3.53Å; A536-R539 WeakPolarHBondContact O-CA 3.33Å; A536-R539 WeakPolarHBondContact O-CB 3.4Å; A536-R539 PolarHBondContact O-N 3.23Å; R539-S541 PolarHBondContact O-N 3.4Å; R539-Y542 PolarHBondContact O-N 2.98Å; R539-Y542 VanDerWaalsContact O-N 3.1Å; R539-R543 WeakPolarHBondContact O-CG 3.36Å; R539-R543 PolarHBondContact O-N 2.89Å
540D93.4Very high93.2Very high52 Ų5269.4 Ų69.428%0.27834%0.336SS..Hα-helixtrans-56.4-36.6173.1-61.4-29.7000113.2A536 R537 G538 R543 R544A536-D540 PolarHBondContact O-N 3.47Å; R537-D540 WeakPolarHBondContact CA-OD2 3.32Å; G538-D540 VanDerWaalsContact C-N 3.32Å; G538-D540 PolarHBondContact O-N 3.12Å; D540-R543 IonicContact OD1-CZ 3.22Å; D540-R543 IonicContact OD1-NE 2.74Å; D540-R543 IonicContact OD1-NH2 3.93Å; D540-R543 PolarHBondContact OD1-NH2 2.99Å; D540-R544 WeakPolarHBondContact O-CB 3.46Å; D540-R544 WeakPolarHBondContact O-CG 3.44Å; D540-R544 PolarHBondContact O-N 2.97Å
541S94.4Very high93.1Very high14 Ų1470.6 Ų70.610%0.09834%0.341CS..Hα-helixtrans-68.1-42178-55.80000110.5L514 R537 G538 R539 R544 L545L514-S541 WeakPolarHBondContact CD2-O 3.45Å; R537-S541 PolarHBondContact O-N 2.74Å; R537-S541 PolarHBondContact O-OG 2.92Å; G538-S541 VanDerWaalsContact O-CB 3.29Å; G538-S541 WeakPolarHBondContact O-CB 3.49Å; G538-S541 PolarHBondContact O-N 3.3Å; R539-S541 PolarHBondContact O-N 3.4Å; S541-R544 PolarHBondContact O-N 2.91Å; S541-L545 WeakPolarHBondContact O-CG 3.5Å; S541-L545 PolarHBondContact O-N 2.71Å
542Y96.4Very high92.8Very high1 Ų174.2 Ų74.20%0.00437%0.37CS..Hα-helixtrans-71.7-37.7175.2-75.8-84.6000113.5T488 I491 A492 L524 P528 L534 G538 R539 R544 L545 Q546T488-Y542 HydrophobicContact CG2-CD1 4Å; T488-Y542 HydrophobicContact CG2-CD2 4.12Å; T488-Y542 HydrophobicContact CG2-CE1 4.1Å; T488-Y542 HydrophobicContact CG2-CE2 4.19Å; T488-Y542 HydrophobicContact CG2-CG 4.02Å; T488-Y542 VanDerWaalsContact O-CE1 3.26Å; T488-Y542 WeakPolarHBondContact O-CE1 3.46Å; I491-Y542 HydrophobicContact CB-CD1 4.16Å; I491-Y542 HydrophobicContact CG2-CD1 3.78Å; I491-Y542 HydrophobicContact CG2-CE1 4.43Å; A492-Y542 HydrophobicContact CB-CE1 4.49Å; L524-Y542 HydrophobicContact CD1-CD2 4.29Å; L524-Y542 HydrophobicContact CD1-CE2 3.44Å; L524-Y542 VanDerWaalsContact CD1-CE2 3.44Å; L524-Y542 HydrophobicContact CG-CE2 4.19Å; L524-Y542 PolarHBondContact O-OH 2.81Å; L524-Y542 VanDerWaalsContact O-OH 3.1Å; P528-Y542 VanDerWaalsContact CA-OH 3.31Å; P528-Y542 WeakPolarHBondContact CA-OH 3.44Å; P528-Y542 VanDerWaalsContact CB-OH 3.31Å; P528-Y542 WeakPolarHBondContact CB-OH 3.44Å; L534-Y542 HydrophobicContact CD1-CD2 3.38Å; L534-Y542 HydrophobicContact CD1-CE2 3.66Å; L534-Y542 HydrophobicContact CD1-CG 4.29Å; L534-Y542 HydrophobicContact CD2-CD2 4.38Å; L534-Y542 HydrophobicContact CD2-CE2 3.92Å; L534-Y542 HydrophobicContact CG-CE2 4.45Å; G538-Y542 WeakPolarHBondContact O-CD2 3.34Å; G538-Y542 PolarHBondContact O-N 3.5Å; R539-Y542 PolarHBondContact O-N 2.98Å; R539-Y542 VanDerWaalsContact O-N 3.1Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.45Å; Y542-L545 HydrophobicContact CD1-CD1 4.18Å; Y542-L545 HydrophobicContact CE1-CD1 4.34Å; Y542-L545 WeakPolarHBondContact O-CB 3.5Å; Y542-L545 PolarHBondContact O-N 3.2Å; Y542-L545 VanDerWaalsContact O-N 3.08Å; Y542-Q546 PolarHBondContact O-N 2.9Å
543R95Very high92.6Very high91 Ų9170.2 Ų70.234%0.34336%0.36SS..Hα-helixtrans-56.8-44.1171.6-72-168.4-80.7-161.8-2.3111.3L486 W531 R539 D540 Q546 A547L486-R543 HydrophobicContact CD1-CG 4.07Å; W531-R543 HydrophobicContact CH2-CG 4.02Å; R539-R543 WeakPolarHBondContact O-CG 3.36Å; R539-R543 PolarHBondContact O-N 2.89Å; D540-R543 IonicContact OD1-CZ 3.22Å; D540-R543 IonicContact OD1-NE 2.74Å; D540-R543 IonicContact OD1-NH2 3.93Å; D540-R543 PolarHBondContact OD1-NH2 2.99Å; R543-Q546 PolarHBondContact O-N 3.16Å; R543-A547 WeakPolarHBondContact O-CB 3.47Å; R543-A547 PolarHBondContact O-N 3.45Å
544R94Very high92.5Very high130 Ų13062.8 Ų62.849%0.49133%0.333SS..Hα-helixtrans-70.5-26.9175.1-71.7173.2178.1159.31.8113.9L514 D540 S541 Y542 W548L514-R544 HydrophobicContact CD2-CB 3.42Å; L514-R544 VanDerWaalsContact CD2-CB 3.42Å; D540-R544 WeakPolarHBondContact O-CB 3.46Å; D540-R544 WeakPolarHBondContact O-CG 3.44Å; D540-R544 PolarHBondContact O-N 2.97Å; S541-R544 PolarHBondContact O-N 2.91Å; Y542-R544 VanDerWaalsContact C-N 3.3Å; Y542-R544 PolarHBondContact O-N 3.45Å; R544-W548 WeakPolarHBondContact O-CB 3.49Å; R544-W548 PolarHBondContact O-N 3.11Å
545L95.5Very high92.4Very high0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-69.9-51.5169.8-72.7-177.1000110.9I491 V495 F509 L514 M521 L524 L525 S541 Y542 W548 I549I491-L545 HydrophobicContact CG2-CB 3.44Å; I491-L545 VanDerWaalsContact CG2-CB 3.44Å; I491-L545 HydrophobicContact CG2-CD1 3.88Å; I491-L545 HydrophobicContact CG2-CG 4.31Å; V495-L545 HydrophobicContact CG1-CD2 4.14Å; V495-L545 HydrophobicContact CG2-CB 4.21Å; V495-L545 HydrophobicContact CG2-CD1 4.39Å; V495-L545 HydrophobicContact CG2-CD2 3.95Å; V495-L545 HydrophobicContact CG2-CG 4.41Å; F509-L545 HydrophobicContact CE1-CD2 3.47Å; F509-L545 VanDerWaalsContact CE1-CD2 3.47Å; F509-L545 HydrophobicContact CZ-CD2 3.51Å; L514-L545 HydrophobicContact CD1-CD2 3.81Å; L514-L545 HydrophobicContact CD1-CG 4.1Å; L514-L545 HydrophobicContact CD2-CD2 3.98Å; L514-L545 HydrophobicContact CD2-CG 4.17Å; L514-L545 HydrophobicContact CG-CD2 4.07Å; M521-L545 HydrophobicContact CE-CD2 4.07Å; L524-L545 HydrophobicContact CD2-CD1 4.08Å; L525-L545 HydrophobicContact CD2-CD1 4.27Å; S541-L545 WeakPolarHBondContact O-CG 3.5Å; S541-L545 PolarHBondContact O-N 2.71Å; Y542-L545 HydrophobicContact CD1-CD1 4.18Å; Y542-L545 HydrophobicContact CE1-CD1 4.34Å; Y542-L545 WeakPolarHBondContact O-CB 3.5Å; Y542-L545 PolarHBondContact O-N 3.2Å; Y542-L545 VanDerWaalsContact O-N 3.08Å; L545-W548 PolarHBondContact O-N 3.44Å; L545-W548 VanDerWaalsContact O-N 3.13Å; L545-I549 WeakPolarHBondContact O-CG1 3.21Å; L545-I549 PolarHBondContact O-N 2.85Å
546Q94.6Very high92.2Very high75 Ų7561.2 Ų61.235%0.3532%0.321SS..Hα-helixtrans-57.7-51.6179.2-170.8-165.51900111.3L486 I491 Y542 R543 W548 I549 S550L486-Q546 HydrophobicContact CD1-CB 4.38Å; L486-Q546 VanDerWaalsContact CD2-OE1 3.25Å; I491-Q546 HydrophobicContact CD1-CB 4.08Å; I491-Q546 HydrophobicContact CD1-CG 4.43Å; Y542-Q546 PolarHBondContact O-N 2.9Å; R543-Q546 PolarHBondContact O-N 3.16Å; Q546-W548 PolarHBondContact O-N 3.5Å; Q546-W548 VanDerWaalsContact O-N 3.15Å; Q546-I549 WeakPolarHBondContact O-CA 3.47Å; Q546-I549 WeakPolarHBondContact O-CB 3.31Å; Q546-I549 PolarHBondContact O-N 3.31Å; Q546-S550 PolarHBondContact O-N 2.92Å; Q546-S550 PolarHBondContact O-OG 3.14Å
547A93.3Very high92Very high68 Ų6861.1 Ų61.156%0.56232%0.317SS*.Hα-helixtrans-58.7-2917800000113.2R543R543-A547 WeakPolarHBondContact O-CB 3.47Å; R543-A547 PolarHBondContact O-N 3.45Å
548W93.3Very high91.9Very high21 Ų2152.1 Ų52.18%0.0828%0.283CS..Hα-helixtrans-79-34.7172.2-179.883.8000112.8L498 F509 I513 R544 L545 Q546 S550 N554 V555L498-W548 HydrophobicContact CB-CH2 4.05Å; L498-W548 HydrophobicContact CB-CZ3 4.06Å; L498-W548 HydrophobicContact CD1-CH2 4.3Å; L498-W548 HydrophobicContact CD1-CZ3 3.74Å; F509-W548 HydrophobicContact CD2-CH2 4.27Å; F509-W548 HydrophobicContact CD2-CZ2 4.14Å; F509-W548 AromaticContact CE2-CD2 3.5Å; F509-W548 HydrophobicContact CE2-CD2 3.5Å; F509-W548 VanDerWaalsContact CE2-CD2 3.5Å; F509-W548 AromaticContact CE2-CE2 3.59Å; F509-W548 AromaticContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CE3 3.52Å; F509-W548 HydrophobicContact CE2-CG 4.21Å; F509-W548 AromaticContact CE2-CH2 3.74Å; F509-W548 HydrophobicContact CE2-CH2 3.74Å; F509-W548 AromaticContact CE2-CZ2 3.73Å; F509-W548 HydrophobicContact CE2-CZ2 3.73Å; F509-W548 AromaticContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CE2-CZ3 3.63Å; F509-W548 HydrophobicContact CZ-CD2 4.02Å; F509-W548 AromaticContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CE3 3.95Å; F509-W548 HydrophobicContact CZ-CG 4.43Å; F509-W548 HydrophobicContact CZ-CZ3 4.36Å; I513-W548 HydrophobicContact CD1-CD2 4.24Å; I513-W548 HydrophobicContact CD1-CG 4.09Å; I513-W548 HydrophobicContact CD1-CZ2 4.43Å; I513-W548 HydrophobicContact CG2-CB 4.17Å; I513-W548 HydrophobicContact CG2-CG 4.19Å; R544-W548 WeakPolarHBondContact O-CB 3.49Å; R544-W548 PolarHBondContact O-N 3.11Å; L545-W548 PolarHBondContact O-N 3.44Å; L545-W548 VanDerWaalsContact O-N 3.13Å; Q546-W548 PolarHBondContact O-N 3.5Å; Q546-W548 VanDerWaalsContact O-N 3.15Å; W548-S550 VanDerWaalsContact C-N 3.33Å; W548-N554 HydrophobicContact CD2-CB 3.99Å; W548-N554 HydrophobicContact CG-CB 4.14Å; W548-N554 HydrophobicContact CZ2-CB 4.06Å; W548-N554 PolarHBondContact NE1-O 2.83Å; W548-N554 VanDerWaalsContact NE1-O 3.15Å; W548-N554 WeakPolarHBondContact O-CB 3.35Å; W548-N554 PolarHBondContact O-ND2 3.19Å; W548-V555 HydrophobicContact CZ2-CG2 4.45Å
549I94.3Very high91.4Very high43 Ų4355.5 Ų55.522%0.22129%0.294CS..Hα-helixtrans-62.9-42.1172.9-63.7163.1000110.3I491 T494 V495 L498 L545 Q546 D551 N554I491-I549 HydrophobicContact CB-CD1 4.43Å; I491-I549 HydrophobicContact CG1-CD1 4.45Å; I491-I549 HydrophobicContact CG2-CD1 4.02Å; T494-I549 HydrophobicContact CG2-CD1 4.2Å; T494-I549 HydrophobicContact CG2-CG1 4.34Å; T494-I549 HydrophobicContact CG2-CG2 3.78Å; V495-I549 HydrophobicContact CG2-CD1 3.74Å; V495-I549 HydrophobicContact CG2-CG1 3.82Å; L498-I549 HydrophobicContact CD1-CG1 4.3Å; L498-I549 HydrophobicContact CD1-CG2 4.34Å; L545-I549 WeakPolarHBondContact O-CG1 3.21Å; L545-I549 PolarHBondContact O-N 2.85Å; Q546-I549 WeakPolarHBondContact O-CA 3.47Å; Q546-I549 WeakPolarHBondContact O-CB 3.31Å; Q546-I549 PolarHBondContact O-N 3.31Å; I549-D551 VanDerWaalsContact C-N 3.34Å; I549-D551 PolarHBondContact O-N 2.95Å; I549-N554 PolarHBondContact O-ND2 3.06Å
550S92.1Very high90.7Very high88 Ų8856.2 Ų56.262%0.61530%0.304SS*.Hα-helixtrans-70.4-20-176.1-58.30000115.1Q546 W548 P552Q546-S550 PolarHBondContact O-N 2.92Å; Q546-S550 PolarHBondContact O-OG 3.14Å; W548-S550 VanDerWaalsContact C-N 3.33Å; S550-P552 WeakPolarHBondContact O-CD 3.18Å
551D91.4Very high89.8Confident53 Ų5356.7 Ų56.728%0.28331%0.309SS..  trans-78.9115.8175.3167.926.2000110.8I549 N553 N554I549-D551 VanDerWaalsContact C-N 3.34Å; I549-D551 PolarHBondContact O-N 2.95Å; D551-N553 PolarHBondContact O-N 2.91Å; D551-N553 VanDerWaalsContact O-N 3.14Å; D551-N553 WeakPolarHBondContact OD1-CA 3.35Å; D551-N553 WeakPolarHBondContact OD1-CB 3.31Å; D551-N553 PolarHBondContact OD1-N 3.39Å; D551-N554 HydrophobicContact CB-CB 4.1Å; D551-N554 WeakPolarHBondContact O-CB 3.39Å; D551-N554 PolarHBondContact O-N 3.47Å; D551-N554 VanDerWaalsContact O-N 3.1Å; D551-N554 PolarHBondContact O-ND2 3.1Å; D551-N554 VanDerWaalsContact OD2-CA 3.3Å; D551-N554 WeakPolarHBondContact OD2-CA 3.41Å; D551-N554 PolarHBondContact OD2-N 2.93Å; D551-N554 VanDerWaalsContact OD2-N 3.09Å
552P89.2Confident88.5Confident115 Ų11560.1 Ų60.175%0.74732%0.323SS*.THydrogen-bonded Turntrans-65.8-15.2177.328-35.2000113.7S550S550-P552 WeakPolarHBondContact O-CD 3.18Å
553N88.7Confident86.8Confident86 Ų8668.3 Ų68.346%0.4635%0.354SS..THydrogen-bonded Turntrans-96.34.5176.3-65.9-74.8000113.5D551 V555 N556 S557D551-N553 PolarHBondContact O-N 2.91Å; D551-N553 VanDerWaalsContact O-N 3.14Å; D551-N553 WeakPolarHBondContact OD1-CA 3.35Å; D551-N553 WeakPolarHBondContact OD1-CB 3.31Å; D551-N553 PolarHBondContact OD1-N 3.39Å; N553-V555 VanDerWaalsContact C-N 3.28Å; N553-V555 PolarHBondContact O-N 3.38Å; N553-V555 VanDerWaalsContact O-N 3.09Å; N553-N556 WeakPolarHBondContact O-CA 3.41Å; N553-N556 WeakPolarHBondContact O-CB 3.43Å; N553-N556 PolarHBondContact O-N 2.74Å; N553-S557 PolarHBondContact O-N 3.24Å; N553-S557 PolarHBondContact O-OG 3.09Å
554N89.6Confident84.7Confident14 Ų1472.1 Ų72.18%0.07537%0.369CS..Hα-helixtrans-50.2-39.9-170.558.911.8000115.3W548 I549 D551 L558W548-N554 HydrophobicContact CD2-CB 3.99Å; W548-N554 HydrophobicContact CG-CB 4.14Å; W548-N554 HydrophobicContact CZ2-CB 4.06Å; W548-N554 PolarHBondContact NE1-O 2.83Å; W548-N554 VanDerWaalsContact NE1-O 3.15Å; W548-N554 WeakPolarHBondContact O-CB 3.35Å; W548-N554 PolarHBondContact O-ND2 3.19Å; I549-N554 PolarHBondContact O-ND2 3.06Å; D551-N554 HydrophobicContact CB-CB 4.1Å; D551-N554 WeakPolarHBondContact O-CB 3.39Å; D551-N554 PolarHBondContact O-N 3.47Å; D551-N554 VanDerWaalsContact O-N 3.1Å; D551-N554 PolarHBondContact O-ND2 3.1Å; D551-N554 VanDerWaalsContact OD2-CA 3.3Å; D551-N554 WeakPolarHBondContact OD2-CA 3.41Å; D551-N554 PolarHBondContact OD2-N 2.93Å; D551-N554 VanDerWaalsContact OD2-N 3.09Å; N554-L558 WeakPolarHBondContact O-CB 3.37Å; N554-L558 PolarHBondContact O-N 3.29Å
555V89.2Confident82.8Confident9 Ų970.3 Ų70.36%0.05536%0.362CS..Hα-helixtrans-75.1-39.4176.7166.30000111.7H502 I504 W548 N553 L558 K559H502-V555 HydrophobicContact CB-CG1 4.04Å; H502-V555 HydrophobicContact CB-CG2 4.12Å; H502-V555 VanDerWaalsContact CD2-CG2 3.43Å; H502-V555 WeakPolarHBondContact CD2-CG2 3.29Å; I504-V555 HydrophobicContact CD1-CG1 4.32Å; I504-V555 HydrophobicContact CD1-CG2 3.95Å; W548-V555 HydrophobicContact CZ2-CG2 4.45Å; N553-V555 VanDerWaalsContact C-N 3.28Å; N553-V555 PolarHBondContact O-N 3.38Å; N553-V555 VanDerWaalsContact O-N 3.09Å; V555-L558 PolarHBondContact O-N 3.43Å; V555-K559 HydrophobicContact CG1-CD 3.94Å; V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 VanDerWaalsContact O-CG 3.3Å; V555-K559 WeakPolarHBondContact O-CG 3.4Å; V555-K559 PolarHBondContact O-N 3.44Å
556N86.8Confident80.4Confident82 Ų8275.7 Ų75.744%0.43939%0.391SS..Hα-helixtrans-69.7-45.4-179.4-67.4-22.6000110.7N553 L558 K559 N560N553-N556 WeakPolarHBondContact O-CA 3.41Å; N553-N556 WeakPolarHBondContact O-CB 3.43Å; N553-N556 PolarHBondContact O-N 2.74Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 2.98Å; N556-K559 PolarHBondContact O-N 3.28Å; N556-N560 WeakPolarHBondContact O-CB 3.45Å; N556-N560 VanDerWaalsContact O-CG 3.26Å; N556-N560 PolarHBondContact O-N 3.23Å; N556-N560 PolarHBondContact O-ND2 2.83Å
557S84.8Confident77.9Confident57 Ų5776.2 Ų76.240%0.39939%0.393SS..Hα-helixtrans-53-46.5171-62.10000111.3N553 T561N553-S557 PolarHBondContact O-N 3.24Å; N553-S557 PolarHBondContact O-OG 3.09Å; S557-T561 PolarHBondContact O-N 3.14Å; S557-T561 VanDerWaalsContact O-N 3.09Å; S557-T561 PolarHBondContact O-OG1 3.18Å
558L86.1Confident75.8Confident4 Ų476.9 Ų76.92%0.02139%0.39CS..Hα-helixtrans-71.6-33-179.8-171.961.5000113.8I504 Q508 F509 H512 I513 N554 V555 N556I504-L558 HydrophobicContact CD1-CD2 4.21Å; I504-L558 HydrophobicContact CG2-CD2 3.48Å; I504-L558 VanDerWaalsContact CG2-CD2 3.48Å; Q508-L558 HydrophobicContact CG-CD1 4.13Å; Q508-L558 HydrophobicContact CG-CD2 4.48Å; Q508-L558 HydrophobicContact CG-CG 4.32Å; Q508-L558 PolarHBondContact NE2-O 2.95Å; F509-L558 HydrophobicContact CD2-CD2 4.23Å; H512-L558 HydrophobicContact CB-CD1 3.56Å; I513-L558 HydrophobicContact CD1-CD1 3.96Å; I513-L558 HydrophobicContact CD1-CD2 3.83Å; I513-L558 HydrophobicContact CD1-CG 4.34Å; I513-L558 HydrophobicContact CG1-CD1 4.43Å; N554-L558 WeakPolarHBondContact O-CB 3.37Å; N554-L558 PolarHBondContact O-N 3.29Å; V555-L558 PolarHBondContact O-N 3.43Å; N556-L558 VanDerWaalsContact C-N 3.3Å; N556-L558 PolarHBondContact O-N 2.98Å
559K83.2Confident73.3Confident83 Ų8381 Ų8136%0.36141%0.414SS..Hα-helixtrans-69.2-45.2173.1-76.5170.8178174.20111.6V555 N556 T561 Q562V555-K559 HydrophobicContact CG1-CD 3.94Å; V555-K559 WeakPolarHBondContact O-CB 3.29Å; V555-K559 VanDerWaalsContact O-CG 3.3Å; V555-K559 WeakPolarHBondContact O-CG 3.4Å; V555-K559 PolarHBondContact O-N 3.44Å; N556-K559 PolarHBondContact O-N 3.28Å; K559-T561 VanDerWaalsContact C-N 3.26Å; K559-T561 PolarHBondContact O-N 3.46Å; K559-Q562 VanDerWaalsContact O-CB 3.27Å; K559-Q562 WeakPolarHBondContact O-CB 3.47Å; K559-Q562 PolarHBondContact O-N 2.96Å
560N80.3Confident70.7Confident95 Ų9585 Ų8551%0.50843%0.432SS..Hα-helixtrans-61.5-36.1177.1-69.9-14.6000111.7N556 Q562 R563 R564N556-N560 WeakPolarHBondContact O-CB 3.45Å; N556-N560 VanDerWaalsContact O-CG 3.26Å; N556-N560 PolarHBondContact O-N 3.23Å; N556-N560 PolarHBondContact O-ND2 2.83Å; N560-Q562 PolarHBondContact O-N 2.84Å; N560-R563 PolarHBondContact O-N 3.36Å; N560-R563 VanDerWaalsContact O-N 3.15Å; N560-R564 PolarHBondContact O-N 2.95Å
561T74.5Confident68.1Low61 Ų6183 Ų8337%0.37442%0.418SS..Hα-helixtrans-70.5-7.7175-39.90000113.7H512 S557 K559H512-T561 WeakPolarHBondContact CE1-CG2 3.42Å; H512-T561 PolarHBondContact CE1-O 3.4Å; H512-T561 VanDerWaalsContact ND1-CG2 3.31Å; H512-T561 WeakPolarHBondContact ND1-CG2 3.41Å; S557-T561 PolarHBondContact O-N 3.14Å; S557-T561 VanDerWaalsContact O-N 3.09Å; S557-T561 PolarHBondContact O-OG1 3.18Å; K559-T561 VanDerWaalsContact C-N 3.26Å; K559-T561 PolarHBondContact O-N 3.46Å
562Q66.6Low65.7Low87 Ų8783.7 Ų83.741%0.40743%0.43SS..Hα-helixtrans-75.1-55.1162.8-62175.1-42.400110.8Q508 K559 N560 R564 R565Q508-Q562 VanDerWaalsContact CD-NE2 3.34Å; Q508-Q562 VanDerWaalsContact NE2-CG 3.27Å; Q508-Q562 VanDerWaalsContact NE2-NE2 3.13Å; K559-Q562 VanDerWaalsContact O-CB 3.27Å; K559-Q562 WeakPolarHBondContact O-CB 3.47Å; K559-Q562 PolarHBondContact O-N 2.96Å; N560-Q562 PolarHBondContact O-N 2.84Å; Q562-R564 VanDerWaalsContact C-N 3.34Å; Q562-R564 PolarHBondContact O-N 3.32Å; Q562-R565 PolarHBondContact O-N 3.15Å
563R60.2Low62.9Low173 Ų17382.7 Ų82.765%0.65343%0.425SS*.Hα-helixtrans-55.6-46-172.2-66-172.9176.2-162.7-1112.4N560 R565 N566 E567N560-R563 PolarHBondContact O-N 3.36Å; N560-R563 VanDerWaalsContact O-N 3.15Å; R563-R565 PolarHBondContact O-N 2.95Å; R563-N566 WeakPolarHBondContact O-CB 3.25Å; R563-N566 PolarHBondContact O-N 2.96Å; R563-E567 PolarHBondContact O-N 3.36Å
564R50.9Low60.3Low170 Ų17084 Ų8464%0.64243%0.428SS*.Hα-helixtrans-55-23.3176.3-68.3-64.2-116.3174.1-0.3114.7N560 Q562 E567 T568N560-R564 PolarHBondContact O-N 2.95Å; Q562-R564 VanDerWaalsContact C-N 3.34Å; Q562-R564 PolarHBondContact O-N 3.32Å; R564-E567 WeakPolarHBondContact CD-OE2 3.2Å; R564-E567 IonicContact NH1-OE2 3.19Å; R564-E567 PolarHBondContact NH1-OE2 3.45Å; R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 WeakPolarHBondContact O-CG2 3.46Å; R564-T568 PolarHBondContact O-N 2.82Å; R564-T568 VanDerWaalsContact O-N 3.14Å; R564-T568 PolarHBondContact O-OG1 3.39Å
565R53.5Low57.9Low92 Ų9289.3 Ų89.335%0.34746%0.456SS..Hα-helixtrans-92.3-8.2176.4-151.3-176-76.6113-1.8114H512 Q562 R563 T568 N569H512-R565 PolarHBondContact CE1-NH1 2.95Å; H512-R565 PolarHBondContact CE1-NH2 3.1Å; H512-R565 PolarHBondContact NE2-NH1 2.93Å; Q562-R565 PolarHBondContact O-N 3.15Å; R563-R565 PolarHBondContact O-N 2.95Å; R565-T568 WeakPolarHBondContact CA-OG1 3.42Å; R565-N569 PolarHBondContact O-ND2 2.81Å
566N46Very low55.4Low114 Ų11495 Ų9561%0.6149%0.49SS*.Hα-helixtrans-78.3-51.6163.2-65.30.4000108.4R563 T568 N569 Q570R563-N566 WeakPolarHBondContact O-CB 3.25Å; R563-N566 PolarHBondContact O-N 2.96Å; N566-T568 PolarHBondContact O-N 3.29Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-N569 VanDerWaalsContact O-N 3.07Å; N566-Q570 PolarHBondContact O-N 3.24Å
567E42.3Very low52.9Low85 Ų8595.5 Ų95.540%0.39750%0.501SS..Hα-helixtrans-49.4-53.8175.1-66.1154.9-140.500112.3R563 R564 N569 Q570 S571R563-E567 PolarHBondContact O-N 3.36Å; R564-E567 WeakPolarHBondContact CD-OE2 3.2Å; R564-E567 IonicContact NH1-OE2 3.19Å; R564-E567 PolarHBondContact NH1-OE2 3.45Å; E567-N569 PolarHBondContact O-N 3.25Å; E567-Q570 PolarHBondContact O-N 3.21Å; E567-S571 PolarHBondContact O-N 3.47Å; E567-S571 PolarHBondContact O-OG 2.83Å
568T48.2Very low50.5Low83 Ų8398.7 Ų98.751%0.50951%0.512SS..Hα-helixtrans-73.9-3.4-17848.40000115.7R564 R565 N566 A572R564-T568 WeakPolarHBondContact O-CB 3.4Å; R564-T568 WeakPolarHBondContact O-CG2 3.46Å; R564-T568 PolarHBondContact O-N 2.82Å; R564-T568 VanDerWaalsContact O-N 3.14Å; R564-T568 PolarHBondContact O-OG1 3.39Å; R565-T568 WeakPolarHBondContact CA-OG1 3.42Å; N566-T568 PolarHBondContact O-N 3.29Å; T568-A572 WeakPolarHBondContact O-CB 3.47Å
569N41.3Very low48Very low107 Ų107106.1 Ų106.157%0.57255%0.552SS**Hα-helixtrans-99.7-12.1165.4-75.5-75.4000112.7R565 N566 E567R565-N569 PolarHBondContact O-ND2 2.81Å; N566-N569 PolarHBondContact O-N 3.19Å; N566-N569 VanDerWaalsContact O-N 3.07Å; E567-N569 PolarHBondContact O-N 3.25Å
570Q40Very low45.6Very low128 Ų128109 Ų10960%0.59857%0.572SS**Hα-helixtrans-89.3-48.8172.6-70.5175.6-68.300110.5N566 E567 A572 C573 E574N566-Q570 PolarHBondContact O-N 3.24Å; E567-Q570 PolarHBondContact O-N 3.21Å; Q570-A572 PolarHBondContact O-N 2.86Å; Q570-C573 WeakPolarHBondContact O-CB 3.43Å; Q570-C573 PolarHBondContact O-N 2.81Å; Q570-E574 PolarHBondContact O-N 3.1Å
571S38.6Very low43.5Very low46 Ų46112.5 Ų112.532%0.32259%0.585SS.*Hα-helixtrans-63-28.3177.463.10000113.4E567 C573 E574 I575E567-S571 PolarHBondContact O-N 3.47Å; E567-S571 PolarHBondContact O-OG 2.83Å; S571-C573 PolarHBondContact O-N 3.05Å; S571-E574 PolarHBondContact O-N 3.02Å; S571-I575 WeakPolarHBondContact O-CD1 3.29Å; S571-I575 VanDerWaalsContact O-CG1 3.23Å; S571-I575 WeakPolarHBondContact O-CG1 3.25Å; S571-I575 PolarHBondContact O-N 3.47Å; S571-I575 VanDerWaalsContact O-N 3.12Å
572A39.2Very low41.6Very low66 Ų66118 Ų11855%0.54561%0.607SS.*Hα-helixtrans-68.2-11.4172.700000114.4T568 Q570T568-A572 WeakPolarHBondContact O-CB 3.47Å; Q570-A572 PolarHBondContact O-N 2.86Å
573C32.2Very low39.9Very low95 Ų95118.8 Ų118.864%0.64262%0.621SS**Hα-helixtrans-101.3-26.1169.9-73.30000112.6Q570 S571Q570-C573 WeakPolarHBondContact O-CB 3.43Å; Q570-C573 PolarHBondContact O-N 2.81Å; S571-C573 PolarHBondContact O-N 3.05Å
574E32.4Very low38.5Very low112 Ų112117.7 Ų117.752%0.52363%0.628SS.*Hα-helixtrans-77-32178.5-67.7170.1124.600112.6Q570 S571 T576 S577 L578Q570-E574 PolarHBondContact O-N 3.1Å; S571-E574 PolarHBondContact O-N 3.02Å; E574-T576 PolarHBondContact O-N 3.44Å; E574-S577 PolarHBondContact O-N 2.93Å; E574-L578 HydrophobicContact CB-CD1 4.11Å; E574-L578 WeakPolarHBondContact O-CG 3.35Å; E574-L578 PolarHBondContact O-N 3.48Å
575I38.9Very low37.7Very low126 Ų126117.4 Ų117.465%0.64664%0.638SS**THydrogen-bonded Turntrans-68.46-179.1-66.7164.6000113.4S571S571-I575 WeakPolarHBondContact O-CD1 3.29Å; S571-I575 VanDerWaalsContact O-CG1 3.23Å; S571-I575 WeakPolarHBondContact O-CG1 3.25Å; S571-I575 PolarHBondContact O-N 3.47Å; S571-I575 VanDerWaalsContact O-N 3.12Å
576T36.8Very low36.6Very low128 Ų128118.2 Ų118.279%0.78566%0.658SS**THydrogen-bonded Turntrans-122-0.3168.4-48.30000113.3E574E574-T576 PolarHBondContact O-N 3.44Å
577S36Very low36.2Very low93 Ų93118.3 Ų118.365%0.6567%0.665SS**THydrogen-bonded Turntrans-107-22169.3-62.10000112.7E574 N579E574-S577 PolarHBondContact O-N 2.93Å; S577-N579 PolarHBondContact O-N 3.2Å
578L33.1Very low35.6Very low124 Ų124121 Ų12165%0.64968%0.682SS**THydrogen-bonded Turntrans-78.862.3176.4-66.2170.5000112.7E574E574-L578 HydrophobicContact CB-CD1 4.11Å; E574-L578 WeakPolarHBondContact O-CG 3.35Å; E574-L578 PolarHBondContact O-N 3.48Å
579N34.9Very low34.9Very low161 Ų161121.7 Ų121.786%0.86169%0.69SS**THydrogen-bonded Turntrans-149.616.2164.6-136.210.1000113.7S577S577-N579 PolarHBondContact O-N 3.2Å
580N32.9Very low34.5Very low144 Ų144123.7 Ų123.777%0.7770%0.701SS**SBendtrans-143.7125.2168-100.2-35.5000106.1
581Q35.2Very low34.3Very low167 Ų167123.4 Ų123.478%0.7871%0.71SS**SBendtrans68.5136.9-168.5-49.2175.518.500113.8
582Q34Very low34.1Very low178 Ų178128.2 Ų128.283%0.83274%0.737SS**  cis-156.6159.2-21.9-133.7163.523.700110.6
583S30.7Very low33.8Very low102 Ų102130.4 Ų130.471%0.71375%0.748SS**  trans-74164168.3-50.80000111.8
584L31.5Very low34.2Very low150 Ų150130.4 Ų130.479%0.78576%0.755SS**  trans92.296.4161.7-50.9178.3000119.6
585L33.6Very low34.3Very low164 Ų164130.7 Ų130.786%0.85977%0.767SS**  69.4149.1124.8-61.3172000122.2
586S31Very low33.7Very low109 Ų109130.5 Ų130.576%0.76278%0.776SS**  trans-105.1-175.7-175.1-5.70000111.6
587P38.8Very low33.7Very low117 Ų117133.3 Ų133.376%0.7678%0.78SS**  cis-137.2169.2-27.436.6-19.3000114.9
588N29.4Very low33.4Very low141 Ų141137.3 Ų137.375%0.75479%0.785SS**  trans44.9114.7140.7-175.851.2000121.9
589S32.4Very low33.3Very low97 Ų97137.3 Ų137.368%0.67879%0.786SS**  179.6131.111157.10000115.9
590N34.1Very low33.1Very low149 Ų149138.7 Ų138.780%0.79779%0.785SS**  trans44.4137.2148.6-60.7-11.5000123.3
591P35.6Very low33.1Very low123 Ų123137.2 Ų137.280%0.79979%0.786SS**  trans-99.5140.6178.137.5-32.2000114.5
592V34.5Very low32.8Very low147 Ų147136 Ų13689%0.89178%0.784SS**  trans-139.6138.1161-179.10000111.3
593S32.9Very low32.7Very low111 Ų111133 Ų13378%0.77678%0.778SS**  trans-47156.6-176.3-44.70000120.7
594A38.9Very low32.8Very low96 Ų96137.3 Ų137.379%0.79378%0.784SS**  trans83159.2143.700000118
595P35Very low32.9Very low118 Ų118134.2 Ų134.277%0.76677%0.774SS**  -134.3163.6-125.636.4-16.2000118.5
596C26.9Very low32.9Very low122 Ų122132.2 Ų132.282%0.82477%0.769SS**  trans42.299.6150.7-68.80000121.2
597Q35.9Very low32.9Very low187 Ų187131.6 Ų131.687%0.87477%0.765SS**  -164.5117.2125.1-100.5160.924.100106.2
598K30Very low32.6Very low176 Ų176131.4 Ų131.477%0.76576%0.762SS**  99.1134.168-107.1-166.7162.5-152.20112.6
599D32.3Very low32.7Very low125 Ų125129.8 Ų129.867%0.66876%0.762SS**  trans74.989151-50.2-22.2000121.3
600F29.1Very low33.1Very low189 Ų189130.9 Ų130.983%0.82977%0.766SS**  58.9104.8117.9-111.4-89.4000122.9
601S32.9Very low32.9Very low114 Ų114133.2 Ų133.280%0.79777%0.77SS**  173.3125.1129.642.80000108.6
602L29.9Very low32.7Very low142 Ų142131.9 Ų131.974%0.74376%0.759SS**  cis76.8100.639.6-162.485.8000114.5
603T31.5Very low32.4Very low114 Ų114134.7 Ų134.770%0.69976%0.755SS**  171.4142.6115.733.20000114.1
604K32.9Very low32.4Very low193 Ų193139.8 Ų139.884%0.83976%0.757SS**  trans56.2153.8142.4-70.3-172.2174.2179.50121.7
605S32.8Very low32.1Very low84 Ų84141.1 Ų141.159%0.58775%0.751SS**  cis-171.5172.7-21.556.50000113
606T34.2Very low32Very low122 Ų122141.6 Ų141.675%0.74875%0.747SS**  trans70.3144.3146.640.80000120.2
607S30.5Very low32.3Very low96 Ų96142.7 Ų142.767%0.67174%0.744SS**  cis-175.4179.1-19.350.50000112.5
608T33.6Very low32.1Very low114 Ų114142.5 Ų142.570%0.69974%0.743SS**  trans87.774.3149.3-40.70000120.5
609S30.4Very low32.5Very low107 Ų107139.6 Ų139.675%0.74874%0.742SS**  40.7153.3118.858.30000125.3
610P41.6Very low32.5Very low119 Ų119141.9 Ų141.977%0.77375%0.753SS**  trans-116.4-177.4-170.345.3-35000116.2
611F29.5Very low32.5Very low198 Ų198137.6 Ų137.687%0.86875%0.747SS**  trans-174.6160161.9-118.4-143000110.6
612V31.7Very low32.3Very low96 Ų96138 Ų13858%0.58274%0.744SS**  cis-169.1141.8-33.2107.80000111.8
613Y28.1Very low32.1Very low205 Ų205138.5 Ų138.580%0.80475%0.746SS**  trans61.9163.3169.2-84.5-109.5000118.1
614R33.4Very low32Very low218 Ų218139.5 Ų139.582%0.82375%0.753SS**  cis-146.1167.125.4-149.9-173-148.2177.55.2113.3
615N32.7Very low32Very low124 Ų124135.5 Ų135.566%0.66375%0.749SS**  trans-80.1169170.1-56.1-29.1000111.9
616D33.1Very low32Very low129 Ų129141.6 Ų141.669%0.6976%0.759SS**  175.4143.6114.7-84.7-20.9000115.7
617I32.9Very low32.3Very low145 Ų145139.7 Ų139.774%0.74475%0.749SS**  trans73114.1145.1-64.5164.8000123.1
618E31.7Very low32.2Very low183 Ų183142.2 Ų142.286%0.85575%0.75SS**  trans51.1150.8141-63.1-165.1135.200126.6
619P38.5Very low32.1Very low115 Ų115144.1 Ų144.175%0.74775%0.749SS**  trans-107.1146.7172.839.5-30.4000114.5
620L32.3Very low32.4Very low173 Ų173145.7 Ų145.791%0.90675%0.754SS**  trans-138.2145.8166.3-80.3178.5000114.6
621S28.5Very low31.9Very low99 Ų99147.4 Ų147.469%0.69275%0.751SS**  trans-66.4163174.650.20000115.5
622V28.3Very low32.4Very low123 Ų123142.9 Ų142.975%0.74574%0.742SS**  165.7121.5121.71550000113.9
623L27.3Very low32.5Very low151 Ų151145.4 Ų145.479%0.79175%0.751SS**  trans39.5133.6144.4-55.5175.8000125.3
624T27.8Very low32.5Very low136 Ų136145.3 Ų145.383%0.83475%0.75SS**  trans70.2152.1135.8-137.50000119.2
625S33.6Very low32.5Very low108 Ų108141.4 Ų141.476%0.75575%0.746SS**  cis-148179.31653.40000115.4
626R32Very low32.5Very low213 Ų213141.8 Ų141.880%0.80475%0.747SS**  trans-97.6-175177.7-99.9-171.776.6-168.91.5110.9
627P40.4Very low32.6Very low82 Ų82143.1 Ų143.153%0.53275%0.749SS.*  cis-143.3-163.5-49.744-25.6000113.8
628E29.8Very low32.5Very low149 Ų149141.2 Ų141.270%0.69674%0.744SS**  trans67.4164.1150-74.4-168.3107.800120.6
629K30.8Very low32.5Very low154 Ų154139.7 Ų139.767%0.6774%0.737SS**  cis-179.4129.9-32.8171.7-176.1175.5-172.20109.8
630T35.7Very low32.3Very low139 Ų139141.8 Ų141.885%0.85373%0.734SS**  trans-149.8144.2167-30.40000111.8
631E31.6Very low32.4Very low155 Ų155137.7 Ų137.772%0.72472%0.721SS**  trans-115-145.5171.4-67.8-174.1-168.500110.3
632P40.2Very low32.6Very low103 Ų103139.5 Ų139.567%0.66972%0.722SS**  -117.9-168.3-92.934.5-17.4000112.2
633I33.1Very low33Very low149 Ų149140.6 Ų140.676%0.76472%0.724SS**  trans165.9165.3132-84.4158000111.6
634Y28.7Very low33.3Very low204 Ų204137 Ų13780%0.871%0.712SS**  trans-67.1173.4-175.2-65.3-94.5000113.1
635D34.5Very low33.7Very low136 Ų136138.8 Ų138.873%0.72771%0.71SS**  -166.7-176.959.6-108-52.5000117.3
636L32.7Very low33.8Very low131 Ų131141.6 Ų141.669%0.68671%0.711SS**  trans-33.8170.9166.4-89.851.7000117.4
637E34.4Very low33.8Very low158 Ų158140.5 Ų140.574%0.73871%0.708SS**  cis-160.1138.217.4-122.9157.2140.800107.7
638T31.5Very low33.5Very low105 Ų105143.7 Ų143.764%0.64472%0.716SS**  94.1144.977.9-720000116.6
639Q31.8Very low33.8Very low151 Ų151143.3 Ų143.371%0.70671%0.714SS**  trans72.1149.3165.2-90179.696.100117.8
640K32.7Very low33.9Very low158 Ų158142.6 Ų142.669%0.68771%0.713SS**  cis-167.4153.3-9.6-151.4-178.9-158.3150.30110.4
641S35Very low33.8Very low88 Ų88142.6 Ų142.662%0.61570%0.703SS**  trans47.4155.914556.40000122.6
642N32.5Very low33.9Very low136 Ų136142 Ų14273%0.72770%0.7SS**  cis-170.9172.5-18.4-105.314.3000107.8
643D36.1Very low33.6Very low147 Ų147144 Ų14479%0.78670%0.701SS**  trans64.7166.6155-54.4-36.8000120.3
644S34.1Very low33.4Very low76 Ų76145.5 Ų145.553%0.53170%0.704SS.*  -166.3147.9-52.4-1640000111
645H37.5Very low33.8Very low172 Ų172141.7 Ų141.780%0.79671%0.705SS**  trans61.8170.3171-41.9-65.3000115.8
646H35.6Very low33.6Very low168 Ų168138.6 Ų138.678%0.77871%0.705SS**  cis-145.3-165.9-7.5-14741.5000113.2
647Y30.7Very low33.7Very low189 Ų189141.3 Ų141.374%0.74171%0.711SS**  trans-81.4153.6-158.4-109.8-91.8000119.9
648H34.2Very low33.6Very low150 Ų150141 Ų14169%0.69471%0.71SS**  trans81.5148.8140.6-122.7-51.3000124.3
649H35.7Very low33.7Very low140 Ų140141.6 Ų141.665%0.64871%0.714SS**  trans79.8142.9160.1-97.762000116.3
650Q33.8Very low33.8Very low140 Ų140142.1 Ų142.165%0.65472%0.721SS**  cis-151.6152.7-5.7-156.3176.86.500112.1
651Q33.3Very low33.4Very low138 Ų138140.1 Ų140.165%0.64573%0.726SS**  trans16.7134.4156.5-70.3-179.513.900123.6
652Q32.8Very low33.1Very low142 Ų142140.2 Ų140.266%0.66473%0.726SS**  trans72.4154.9138.2-66.2179.759.600118.1
653Q33.8Very low33.1Very low146 Ų146142.2 Ų142.268%0.68273%0.731SS**  cis-153.4132.50-133.7-176.482.900112.1
654Q30.2Very low32.8Very low180 Ų180146 Ų14684%0.84173%0.734SS**  trans55.9161.8156.8-68.2-164.332.400121.8
655P36.6Very low32.7Very low124 Ų124147 Ų14781%0.80574%0.741SS**  trans-116.6158-162.440.7-29.8000116.3
656G31.2Very low32.4Very low71 Ų71144 Ų14473%0.73274%0.74SS**  trans-168.696.9172.300000117.3
657K33.8Very low32Very low188 Ų188144.3 Ų144.382%0.81774%0.744SS**  trans77.5154.9152.5-59.2-167.2-179.4-177.90122.8
658E33.1Very low32.1Very low153 Ų153144.9 Ų144.972%0.71575%0.75SS**  trans80.393.2149.4-79.5151.3-12800122.5
659T33.3Very low32Very low117 Ų117143 Ų14372%0.71875%0.754SS**  trans55.3122.6132.256.70000119.7
660N33.1Very low31.6Very low162 Ų162142.4 Ų142.487%0.86677%0.765SS**  -155.9171.666.1-99.1-54.7000115.1
661C26.1Very low31.6Very low116 Ų116145 Ų14578%0.78478%0.777SS**  trans-85.7136.3-168.1-108.40000116.4
662S27.7Very low31.4Very low89 Ų89143.9 Ų143.962%0.62279%0.785SS**  29.2127.4124.4-52.30000118.9
663H32.8Very low31.5Very low178 Ų178143.7 Ų143.782%0.82479%0.793SS**  -161.1110.977.3-104.7-87.3000115.9
664R29.8Very low31.6Very low227 Ų227144 Ų14486%0.85779%0.794SS**  trans50.5115.6135.8-156.2172.5-158.8-150.33.4122
665S32.6Very low31.9Very low97 Ų97141.1 Ų141.168%0.67879%0.791SS**  trans-7.4130.7152.858.90000118.5
666S30.1Very low31.6Very low110 Ų110141.5 Ų141.577%0.76979%0.786SS**  cis77.9100.843.6-162.50000116.2
667M27.9Very low31.9Very low174 Ų174146.3 Ų146.386%0.85779%0.79SS**  trans43.4107.1137.5-63-64.8-178.400121.7
668K32.5Very low32.2Very low200 Ų200144.4 Ų144.487%0.8779%0.788SS**  trans-158130.8134-141.775.8179.4-178.10113.2
669S31.9Very low32.8Very low112 Ų112145.4 Ų145.478%0.78380%0.797SS**  trans13.8117.5158.255.50000119.8
670S28Very low33.6Very low127 Ų127143.6 Ų143.689%0.88879%0.786SS**  trans-94.4131.1164.153.80000111.8
671E32.3Very low34.9Very low193 Ų193138.6 Ų138.690%0.90276%0.763SS**  trans-134.7142.4169.6-166.6154.4-153.100109.2
672S29.1Very low36.9Very low115 Ų115142.2 Ų142.280%0.80477%0.766SS**  trans-93.2130.8-155.446.80000114.5
673V35.7Very low38.7Very low138 Ų138144.9 Ų144.984%0.83677%0.768SS**  trans-127.2114.7170.1-177.50000108.9
674H36.6Very low40.3Very low154 Ų154142 Ų14271%0.71376%0.755SS**  trans-75.1127.5-173.9-124.7-102.8000112.3D676H674-D676 IonicContact CE1-OD1 2.81Å; H674-D676 IonicContact CG-OD1 2.67Å; H674-D676 IonicContact ND1-OD1 3.17Å; H674-D676 PolarHBondContact ND1-OD1 2.91Å; H674-D676 IonicContact ND1-OD2 3.77Å; H674-D676 PolarHBondContact O-N 2.98Å
675P36.1Very low42Very low119 Ų119136.5 Ų136.577%0.77374%0.739SS**  trans-93.761.2-179.337.5-35.2000113E677P675-E677 VanDerWaalsContact C-N 3.3Å; P675-E677 PolarHBondContact O-N 3.41Å
676D30.2Very low43.9Very low131 Ų131135.3 Ų135.370%0.70172%0.723SS**  trans-76.964-177.3-70.51.1000113.6H674H674-D676 IonicContact CE1-OD1 2.81Å; H674-D676 IonicContact CG-OD1 2.67Å; H674-D676 IonicContact ND1-OD1 3.17Å; H674-D676 PolarHBondContact ND1-OD1 2.91Å; H674-D676 IonicContact ND1-OD2 3.77Å; H674-D676 PolarHBondContact O-N 2.98Å
677E38.3Very low45.7Very low172 Ų172133.1 Ų133.180%0.80471%0.705SS**  trans-158.467.3166.8-133.5-179.7-122.200113.7P675P675-E677 VanDerWaalsContact C-N 3.3Å; P675-E677 PolarHBondContact O-N 3.41Å
678N39.6Very low47.8Very low148 Ų148129.6 Ų129.679%0.79169%0.687SS**  trans-164.886.6160.7-106.4-60.3000113.7
679I45Very low50.1Low174 Ų174127 Ų12789%0.89267%0.671SS**  trans-125.270.2162-51.2-179.3000108.5
680V50.5Low52.3Low80 Ų80128.5 Ų128.549%0.48566%0.66SS.*  trans-81.1128.8161177.70000106.7E684V680-E684 HydrophobicContact CG1-CB 3.95Å; V680-E684 HydrophobicContact CG1-CG 4.1Å
681S60.1Low54.6Low56 Ų56125.9 Ų125.939%0.39264%0.635SS.*  trans-67.1149.1-178.279.30000110.8E683 E684 Q685S681-E683 PolarHBondContact O-N 3.24Å; S681-E683 VanDerWaalsContact O-N 3.12Å; S681-E684 PolarHBondContact O-N 3.4Å; S681-E684 WeakPolarHBondContact OG-CB 3.41Å; S681-E684 PolarHBondContact OG-N 2.83Å; S681-Q685 PolarHBondContact O-N 2.67Å
682K69.1Low56.9Low193 Ų193119.7 Ų119.784%0.83961%0.608SS**Hα-helixtrans-57.7-28.1176.6-165.7175.8-178.5-1790111.7E686K682-E686 WeakPolarHBondContact O-CB 3.48Å; K682-E686 PolarHBondContact O-N 3.06Å; K682-E686 VanDerWaalsContact O-N 3.08Å
683E64.1Low59.4Low144 Ų144121 Ų12167%0.67360%0.601SS**Hα-helixtrans-77-37.4175.4-175167-146.300113.4S681 E686 T687S681-E683 PolarHBondContact O-N 3.24Å; S681-E683 VanDerWaalsContact O-N 3.12Å; E683-E686 PolarHBondContact O-N 3.45Å; E683-T687 WeakPolarHBondContact O-CB 3.29Å; E683-T687 WeakPolarHBondContact O-CG2 3.28Å; E683-T687 PolarHBondContact O-N 3.47Å; E683-T687 PolarHBondContact O-OG1 2.99Å
684E66.3Low61.4Low117 Ų117119 Ų11955%0.54759%0.585SS.*Hα-helixtrans-66.5-39.1172.1-173170.2-15800111.1V680 S681 T687 E688V680-E684 HydrophobicContact CG1-CB 3.95Å; V680-E684 HydrophobicContact CG1-CG 4.1Å; S681-E684 PolarHBondContact O-N 3.4Å; S681-E684 WeakPolarHBondContact OG-CB 3.41Å; S681-E684 PolarHBondContact OG-N 2.83Å; E684-T687 WeakPolarHBondContact CA-OG1 3.47Å; E684-T687 PolarHBondContact O-OG1 3.26Å; E684-T687 VanDerWaalsContact O-OG1 3.09Å; E684-E688 PolarHBondContact O-N 3.09Å
685Q66.9Low63.4Low113 Ų113114.2 Ų114.253%0.52856%0.564SS.*Hα-helixtrans-68.8-34.2174.8-163.2-176.881.900112.8S681 R689S681-Q685 PolarHBondContact O-N 2.67Å; Q685-R689 PolarHBondContact O-N 2.84Å
686E71.8Confident65.6Low71 Ų71114.8 Ų114.833%0.33256%0.56SS.*Hα-helixtrans-73.3-40.7175.1172.457.8-172.400112.2K682 E683 R689 R690K682-E686 WeakPolarHBondContact O-CB 3.48Å; K682-E686 PolarHBondContact O-N 3.06Å; K682-E686 VanDerWaalsContact O-N 3.08Å; E683-E686 PolarHBondContact O-N 3.45Å; E686-R689 WeakPolarHBondContact O-CB 3.49Å; E686-R689 PolarHBondContact O-N 2.75Å; E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.03Å; E686-R690 IonicContact OE1-CZ 3.2Å; E686-R690 IonicContact OE1-NE 2.75Å; E686-R690 PolarHBondContact OE1-NE 3.47Å; E686-R690 IonicContact OE1-NH2 2.84Å; E686-R690 PolarHBondContact OE1-NH2 2.85Å
687T67.4Low67.7Low64 Ų64111.5 Ų111.539%0.39355%0.551SS.*Hα-helixtrans-66.8-36.1173.750.50000111.8E683 E684 R690 I691E683-T687 WeakPolarHBondContact O-CB 3.29Å; E683-T687 WeakPolarHBondContact O-CG2 3.28Å; E683-T687 PolarHBondContact O-N 3.47Å; E683-T687 PolarHBondContact O-OG1 2.99Å; E684-T687 WeakPolarHBondContact CA-OG1 3.47Å; E684-T687 PolarHBondContact O-OG1 3.26Å; E684-T687 VanDerWaalsContact O-OG1 3.09Å; T687-R690 PolarHBondContact O-N 2.65Å; T687-I691 WeakPolarHBondContact O-CB 3.37Å; T687-I691 WeakPolarHBondContact O-CD1 3.32Å; T687-I691 VanDerWaalsContact O-CG1 3.22Å; T687-I691 WeakPolarHBondContact O-CG1 3.45Å; T687-I691 PolarHBondContact O-N 3.2Å
688E72.4Confident69.4Low101 Ų101104.5 Ų104.547%0.47252%0.523SS..Hα-helixtrans-65.1-38.2169.3179.4152.7-127.400112.3R68 E684 I691 N692R68-E688 IonicContact NH2-OE1 3.75Å; E684-E688 PolarHBondContact O-N 3.09Å; E688-I691 PolarHBondContact O-N 2.86Å; E688-N692 VanDerWaalsContact CG-ND2 3.25Å; E688-N692 WeakPolarHBondContact CG-ND2 3.24Å; E688-N692 WeakPolarHBondContact O-CB 3.26Å; E688-N692 PolarHBondContact O-N 3.24Å; E688-N692 PolarHBondContact O-ND2 2.84Å; E688-N692 VanDerWaalsContact O-ND2 3.09Å
689R79.7Confident71.5Confident146 Ų146103.6 Ų103.655%0.55151%0.512SS*.Hα-helixtrans-56.6-50.8170.6-91.4-171.9169.388-1.8111.7Q685 E686 I691 N692 Q693Q685-R689 PolarHBondContact O-N 2.84Å; E686-R689 WeakPolarHBondContact O-CB 3.49Å; E686-R689 PolarHBondContact O-N 2.75Å; R689-I691 PolarHBondContact O-N 3.18Å; R689-N692 PolarHBondContact O-N 3.3Å; R689-Q693 PolarHBondContact O-N 3.44Å
690R78.3Confident73Confident143 Ų14398.2 Ų98.254%0.5449%0.493SS..Hα-helixtrans-60.2-45.2178.5-68.6176-170.3-164.32.1112E686 T687 N692 Q693 I694E686-R690 WeakPolarHBondContact O-CG 3.44Å; E686-R690 PolarHBondContact O-N 3.03Å; E686-R690 IonicContact OE1-CZ 3.2Å; E686-R690 IonicContact OE1-NE 2.75Å; E686-R690 PolarHBondContact OE1-NE 3.47Å; E686-R690 IonicContact OE1-NH2 2.84Å; E686-R690 PolarHBondContact OE1-NH2 2.85Å; T687-R690 PolarHBondContact O-N 2.65Å; R690-N692 VanDerWaalsContact C-N 3.29Å; R690-N692 PolarHBondContact O-N 2.88Å; R690-Q693 PolarHBondContact O-N 3.33Å; R690-I694 VanDerWaalsContact O-CG1 3.28Å; R690-I694 WeakPolarHBondContact O-CG1 3.36Å; R690-I694 PolarHBondContact O-N 3.31Å
691I77Confident74Confident72 Ų7297.3 Ų97.337%0.36949%0.494SS..Hα-helixtrans-59.7-40.1176.3-72.3164.7000111.3T687 E688 R689 L695T687-I691 WeakPolarHBondContact O-CB 3.37Å; T687-I691 WeakPolarHBondContact O-CD1 3.32Å; T687-I691 VanDerWaalsContact O-CG1 3.22Å; T687-I691 WeakPolarHBondContact O-CG1 3.45Å; T687-I691 PolarHBondContact O-N 3.2Å; E688-I691 PolarHBondContact O-N 2.86Å; R689-I691 PolarHBondContact O-N 3.18Å; I691-L695 HydrophobicContact CG2-CD1 4.04Å; I691-L695 WeakPolarHBondContact O-CD1 3.45Å; I691-L695 WeakPolarHBondContact O-CG 3.43Å; I691-L695 PolarHBondContact O-N 2.88Å
692N81Confident74.7Confident62 Ų6298.7 Ų98.733%0.33250%0.495SS..Hα-helixtrans-74.5-34.5178.7-71.8-38.3000112.8R68 E688 R689 R690 L695 L696R68-N692 PolarHBondContact NH2-OD1 3.49Å; E688-N692 VanDerWaalsContact CG-ND2 3.25Å; E688-N692 WeakPolarHBondContact CG-ND2 3.24Å; E688-N692 WeakPolarHBondContact O-CB 3.26Å; E688-N692 PolarHBondContact O-N 3.24Å; E688-N692 PolarHBondContact O-ND2 2.84Å; E688-N692 VanDerWaalsContact O-ND2 3.09Å; R689-N692 PolarHBondContact O-N 3.3Å; R690-N692 VanDerWaalsContact C-N 3.29Å; R690-N692 PolarHBondContact O-N 2.88Å; N692-L695 PolarHBondContact O-N 2.89Å; N692-L696 WeakPolarHBondContact O-CD1 3.27Å; N692-L696 PolarHBondContact O-N 3.43Å
693Q80.7Confident75.1Confident143 Ų14392.3 Ų92.367%0.66847%0.471SS*.Hα-helixtrans-61.7-47.7169-77.1-175-10.200111.7R689 R690 L695 L696 A697R689-Q693 PolarHBondContact O-N 3.44Å; R690-Q693 PolarHBondContact O-N 3.33Å; Q693-L695 PolarHBondContact O-N 3.49Å; Q693-L696 PolarHBondContact O-N 2.88Å; Q693-L696 VanDerWaalsContact O-N 3.08Å; Q693-A697 PolarHBondContact O-N 3.28Å
694I78.6Confident75.4Confident97 Ų9793.1 Ų93.150%0.49747%0.469SS..Hα-helixtrans-59.2-36.8177-67.9164000110.9R690 A698R690-I694 VanDerWaalsContact O-CG1 3.28Å; R690-I694 WeakPolarHBondContact O-CG1 3.36Å; R690-I694 PolarHBondContact O-N 3.31Å; I694-A698 WeakPolarHBondContact O-CB 3.32Å; I694-A698 PolarHBondContact O-N 2.85Å
695L77.8Confident75.5Confident52 Ų5290.9 Ų90.927%0.27246%0.458SS..Hα-helixtrans-68.4-37.1174.5-83.3159000113.7R68 I691 N692 Q693 K699R68-L695 HydrophobicContact CG-CD1 3.99Å; R68-L695 HydrophobicContact CG-CD2 4.36Å; I691-L695 HydrophobicContact CG2-CD1 4.04Å; I691-L695 WeakPolarHBondContact O-CD1 3.45Å; I691-L695 WeakPolarHBondContact O-CG 3.43Å; I691-L695 PolarHBondContact O-N 2.88Å; N692-L695 PolarHBondContact O-N 2.89Å; Q693-L695 PolarHBondContact O-N 3.49Å; L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 3.13Å; L695-K699 VanDerWaalsContact O-N 3.09Å
696L83.6Confident75.9Confident131 Ų13192.4 Ų92.469%0.68646%0.463SS*.Hα-helixtrans-66.3-49172.1-101.779000111.1N692 Q693 A698 K699 A700N692-L696 WeakPolarHBondContact O-CD1 3.27Å; N692-L696 PolarHBondContact O-N 3.43Å; Q693-L696 PolarHBondContact O-N 2.88Å; Q693-L696 VanDerWaalsContact O-N 3.08Å; L696-A698 PolarHBondContact O-N 3.46Å; L696-K699 WeakPolarHBondContact O-CB 3.39Å; L696-K699 PolarHBondContact O-N 3.08Å; L696-K699 VanDerWaalsContact O-N 3.1Å; L696-A700 PolarHBondContact O-N 3.48Å
697A74.6Confident75.9Confident62 Ų6294.1 Ų94.151%0.51247%0.471SS..Hα-helixtrans-60.2-44.9179.500000111.8Q693 K699 A700 A701Q693-A697 PolarHBondContact O-N 3.28Å; A697-K699 VanDerWaalsContact C-N 3.3Å; A697-K699 PolarHBondContact O-N 3.38Å; A697-A700 PolarHBondContact O-N 3.42Å; A697-A701 WeakPolarHBondContact O-CB 3.41Å; A697-A701 PolarHBondContact O-N 2.9Å
698A73.9Confident76Confident25 Ų2596.2 Ų96.221%0.20748%0.479CS..Hα-helixtrans-63.8-33.317500000112.7I694 L696 M702I694-A698 WeakPolarHBondContact O-CB 3.32Å; I694-A698 PolarHBondContact O-N 2.85Å; L696-A698 PolarHBondContact O-N 3.46Å; A698-M702 WeakPolarHBondContact O-CE 3.33Å; A698-M702 WeakPolarHBondContact O-CG 3.24Å; A698-M702 PolarHBondContact O-N 2.91Å; A698-M702 VanDerWaalsContact O-N 3.17Å
699K83Confident76Confident130 Ų13097.3 Ų97.357%0.56548%0.482SS*.Hα-helixtrans-69.3-48.2172.8-171-169.4170.5-156.80111.2L695 L696 A697 A701 M702 D703L695-K699 WeakPolarHBondContact O-CB 3.49Å; L695-K699 PolarHBondContact O-N 3.13Å; L695-K699 VanDerWaalsContact O-N 3.09Å; L696-K699 WeakPolarHBondContact O-CB 3.39Å; L696-K699 PolarHBondContact O-N 3.08Å; L696-K699 VanDerWaalsContact O-N 3.1Å; A697-K699 VanDerWaalsContact C-N 3.3Å; A697-K699 PolarHBondContact O-N 3.38Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.24Å; K699-M702 PolarHBondContact O-N 2.92Å; K699-M702 VanDerWaalsContact O-N 3.09Å; K699-D703 VanDerWaalsContact CE-OD2 3.22Å; K699-D703 WeakPolarHBondContact CE-OD2 3.34Å; K699-D703 IonicContact NZ-OD2 3.97Å; K699-D703 PolarHBondContact O-N 3.43Å
700A76.3Confident75.5Confident61 Ų6193.1 Ų93.150%0.50448%0.478SS..Hα-helixtrans-56.5-44.2177.800000111.2L696 A697 M702 D703 Y704L696-A700 PolarHBondContact O-N 3.48Å; A697-A700 PolarHBondContact O-N 3.42Å; A700-M702 PolarHBondContact O-N 2.95Å; A700-D703 PolarHBondContact O-N 3Å; A700-Y704 WeakPolarHBondContact O-CB 3.35Å; A700-Y704 PolarHBondContact O-N 3.44Å
701A71.4Confident74.4Confident61 Ų6191.3 Ų91.350%0.50448%0.48SS..Hα-helixtrans-61.1-41.1174.800000113.2A697 K699 Y704 E705A697-A701 WeakPolarHBondContact O-CB 3.41Å; A697-A701 PolarHBondContact O-N 2.9Å; K699-A701 VanDerWaalsContact C-N 3.29Å; K699-A701 PolarHBondContact O-N 3.24Å; A701-Y704 PolarHBondContact O-N 2.91Å; A701-E705 WeakPolarHBondContact O-CB 3.44Å; A701-E705 PolarHBondContact O-N 2.95Å
702M75.1Confident73Confident84 Ų8490.2 Ų90.241%0.41449%0.486SS..Hα-helixtrans-67.5-38.1174.8-74.5-174.9-64.600112.7A698 K699 A700 Y704 K706A698-M702 WeakPolarHBondContact O-CE 3.33Å; A698-M702 WeakPolarHBondContact O-CG 3.24Å; A698-M702 PolarHBondContact O-N 2.91Å; A698-M702 VanDerWaalsContact O-N 3.17Å; K699-M702 PolarHBondContact O-N 2.92Å; K699-M702 VanDerWaalsContact O-N 3.09Å; A700-M702 PolarHBondContact O-N 2.95Å; M702-Y704 VanDerWaalsContact C-N 3.32Å; M702-K706 VanDerWaalsContact O-CB 3.24Å; M702-K706 WeakPolarHBondContact O-CB 3.45Å; M702-K706 PolarHBondContact O-N 3.36Å
703D76.3Confident71Confident60 Ų6093.5 Ų93.532%0.32150%0.503SS..Hα-helixtrans-72.6-25.5175.7-75.8-39.5000111.7K699 A700 Q707K699-D703 VanDerWaalsContact CE-OD2 3.22Å; K699-D703 WeakPolarHBondContact CE-OD2 3.34Å; K699-D703 IonicContact NZ-OD2 3.97Å; K699-D703 PolarHBondContact O-N 3.43Å; A700-D703 PolarHBondContact O-N 3Å; D703-Q707 WeakPolarHBondContact O-CG 3.45Å; D703-Q707 PolarHBondContact O-N 3.09Å; D703-Q707 VanDerWaalsContact O-N 3.09Å; D703-Q707 PolarHBondContact O-NE2 2.97Å
704Y72Confident69Low161 Ų16191.9 Ų91.963%0.63150%0.503SS*.Hα-helixtrans-74.4-44.9169.5-133.2-79.4000112A700 A701 M702 K706 Q707 I708A700-Y704 WeakPolarHBondContact O-CB 3.35Å; A700-Y704 PolarHBondContact O-N 3.44Å; A701-Y704 PolarHBondContact O-N 2.91Å; M702-Y704 VanDerWaalsContact C-N 3.32Å; Y704-K706 PolarHBondContact O-N 3.02Å; Y704-Q707 PolarHBondContact O-N 3.05Å; Y704-Q707 VanDerWaalsContact O-N 3.09Å; Y704-I708 HydrophobicContact CD1-CD1 3.98Å; Y704-I708 HydrophobicContact CD1-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.12Å
705E66.9Low66.9Low69 Ų6995.5 Ų95.532%0.32252%0.518SS..Hα-helixtrans-57.4-37.4172-170.8-167.2164.100110.8A701 K709A701-E705 WeakPolarHBondContact O-CB 3.44Å; A701-E705 PolarHBondContact O-N 2.95Å; E705-K709 HydrophobicContact CG-CD 4.25Å; E705-K709 WeakPolarHBondContact O-CB 3.38Å; E705-K709 WeakPolarHBondContact O-CG 3.33Å; E705-K709 PolarHBondContact O-N 2.92Å; E705-K709 IonicContact OE1-NZ 2.88Å; E705-K709 PolarHBondContact OE1-NZ 2.82Å
706K76.2Confident64.9Low145 Ų145102.3 Ų102.363%0.6355%0.546SS*.Hα-helixtrans-70.5-34176.3-172.5-175.5172.8-159.70113M702 Y704 A710M702-K706 VanDerWaalsContact O-CB 3.24Å; M702-K706 WeakPolarHBondContact O-CB 3.45Å; M702-K706 PolarHBondContact O-N 3.36Å; Y704-K706 PolarHBondContact O-N 3.02Å; K706-A710 WeakPolarHBondContact O-CB 3.38Å; K706-A710 PolarHBondContact O-N 3.37Å
707Q71.3Confident62.5Low108 Ų108102.7 Ų102.751%0.50555%0.547SS..Hα-helixtrans-70.2-46.1171.5-78.3166.585.700111.3D703 Y704 K709 A710 N711D703-Q707 WeakPolarHBondContact O-CG 3.45Å; D703-Q707 PolarHBondContact O-N 3.09Å; D703-Q707 VanDerWaalsContact O-N 3.09Å; D703-Q707 PolarHBondContact O-NE2 2.97Å; Y704-Q707 PolarHBondContact O-N 3.05Å; Y704-Q707 VanDerWaalsContact O-N 3.09Å; Q707-K709 PolarHBondContact O-N 2.84Å; Q707-A710 WeakPolarHBondContact O-CB 3.42Å; Q707-A710 PolarHBondContact O-N 2.74Å; Q707-N711 VanDerWaalsContact O-CG 3.31Å; Q707-N711 PolarHBondContact O-N 2.91Å; Q707-N711 PolarHBondContact O-OD1 3.15Å
708I70.1Confident60.4Low108 Ų108108 Ų10855%0.55457%0.566SS**Hα-helixtrans-57-38.5173.8-67.8167.7000110.7Y704 G712Y704-I708 HydrophobicContact CD1-CD1 3.98Å; Y704-I708 HydrophobicContact CD1-CG1 4.3Å; Y704-I708 WeakPolarHBondContact O-CG1 3.43Å; Y704-I708 PolarHBondContact O-N 3.12Å; I708-G712 WeakPolarHBondContact O-CA 3.33Å; I708-G712 PolarHBondContact O-N 3.38Å
709K73Confident58.4Low123 Ų123111.2 Ų111.254%0.53559%0.587SS.*Hα-helixtrans-78.1-17.4175.8-74.3174.7176.6176.40115.1E705 Q707E705-K709 HydrophobicContact CG-CD 4.25Å; E705-K709 WeakPolarHBondContact O-CB 3.38Å; E705-K709 WeakPolarHBondContact O-CG 3.33Å; E705-K709 PolarHBondContact O-N 2.92Å; E705-K709 IonicContact OE1-NZ 2.88Å; E705-K709 PolarHBondContact OE1-NZ 2.82Å; Q707-K709 PolarHBondContact O-N 2.84Å
710A68Low56Low58 Ų58112.7 Ų112.748%0.47960%0.602SS.*Hα-helixtrans-79.6-42.8169.800000110.7K706 Q707K706-A710 WeakPolarHBondContact O-CB 3.38Å; K706-A710 PolarHBondContact O-N 3.37Å; Q707-A710 WeakPolarHBondContact O-CB 3.42Å; Q707-A710 PolarHBondContact O-N 2.74Å
711N56.8Low53.7Low105 Ų105115 Ų11556%0.56161%0.614SS**Hα-helixtrans-82-35.4-175.8-58.38.3000112Q707 L713 T714Q707-N711 VanDerWaalsContact O-CG 3.31Å; Q707-N711 PolarHBondContact O-N 2.91Å; Q707-N711 PolarHBondContact O-OD1 3.15Å; N711-L713 PolarHBondContact O-N 3.4Å; N711-L713 VanDerWaalsContact O-N 3.13Å; N711-T714 PolarHBondContact O-N 3.04Å; N711-T714 PolarHBondContact O-OG1 2.8Å
712G46.9Very low51.8Low50 Ų50121.7 Ų121.752%0.51563%0.632SS.*THydrogen-bonded Turntrans-71.11.4172.200000114.4I708I708-G712 WeakPolarHBondContact O-CA 3.33Å; I708-G712 PolarHBondContact O-N 3.38Å
713L39.2Very low50Low130 Ų130124.7 Ų124.768%0.68165%0.65SS**THydrogen-bonded Turntrans-95.6-3169.2-106.8165000112.9N711N711-L713 PolarHBondContact O-N 3.4Å; N711-L713 VanDerWaalsContact O-N 3.13Å
714T38.3Very low47.8Very low110 Ų110128.8 Ų128.868%0.67567%0.672SS**SBendtrans-109-3.8178.142.10000114.8N711N711-T714 PolarHBondContact O-N 3.04Å; N711-T714 PolarHBondContact O-OG1 2.8Å
715E35.4Very low46Very low173 Ų173126.9 Ų126.981%0.80868%0.677SS**SBendtrans-102.89.1177.5-67.5-176.9146.500114
716K34.5Very low44.3Very low195 Ų195130.6 Ų130.685%0.84870%0.698SS**SBendtrans-117.126.1179.1-122.3-177.5-176.6-171.80114.6
717I33.8Very low42.2Very low139 Ų139129.3 Ų129.371%0.71370%0.703SS**SBendtrans-139.768.5174.2-48.5176.6000107.8
718N30.6Very low40.2Very low172 Ų172131.6 Ų131.692%0.9272%0.715SS**SBendtrans-169.849.6169.6-98.5-20.9000111.4
719S30.9Very low38.2Very low93 Ų93134.8 Ų134.865%0.6573%0.725SS**SBendtrans-136.2165.2160.859.50000107.6
720D32.1Very low36.2Very low162 Ų162136.8 Ų136.887%0.86674%0.737SS**  trans67.353.7175.8-41.4-28.3000114.3
721S28.3Very low34.3Very low110 Ų110141.2 Ų141.277%0.76975%0.747SS**  trans-136.847171.3-177.80000112.9
722F32.7Very low33.1Very low200 Ų200144.9 Ų144.988%0.87776%0.761SS**  trans-144.294.4165.6-93.3-84.5000109
723D35.8Very low32.1Very low147 Ų147147.8 Ų147.879%0.78677%0.773SS**  -172.5153.394.2-99.6-26.8000112.5
724N31.2Very low31.9Very low146 Ų146146.2 Ų146.278%0.78177%0.771SS**  trans-82.6157.8169.1-62.1-82.1000108.5
725T34.7Very low31.2Very low122 Ų122149.9 Ų149.975%0.74878%0.778SS**  -177.2124.989-74.20000112.3
726L30.9Very low30.9Very low146 Ų146146.9 Ų146.976%0.76478%0.776SS**  trans49.5140.7150.5-94.765.7000124.8
727T31.4Very low30.4Very low118 Ų118144.1 Ų144.172%0.72477%0.771SS**  trans89.3120.9137.542.40000123.5
728M29.7Very low29.9Very low156 Ų156142.5 Ų142.577%0.76877%0.77SS**  trans44.9108.5141.9-64-65.6174.100119
729K28.3Very low29.7Very low175 Ų175142.9 Ų142.976%0.76177%0.767SS**  78137.554.8-170.9-170.8-176.1-177.40112.4
730Q30Very low29.5Very low165 Ų165142.8 Ų142.877%0.77177%0.771SS**  trans79.4142.6-174.6-55.7-164.6-59.100114.1
731H28.7Very low29.2Very low152 Ų152138.2 Ų138.270%0.70476%0.763SS**  cis-157.5-179.3-19.3-136.1-124.2000110.1
732Q30.9Very low29.1Very low181 Ų181139.8 Ų139.885%0.84676%0.761SS**  trans71.1160.4161.3-80.5160.7-50.700118.3
733S25.9Very low28.8Very low111 Ų111139.9 Ų139.978%0.77676%0.757SS**  trans-135.1-159.6-162.462.90000109.2
734P35.1Very low28.4Very low97 Ų97139.4 Ų139.463%0.6375%0.754SS**  trans-101-158.5-133.334.8-15.6000113.3
735F24.7Very low28.4Very low187 Ų187136.7 Ų136.782%0.8275%0.747SS**  trans71.6145.8-166.1-45.4-79.5000111.7
736S27.9Very low28.1Very low110 Ų110138.3 Ų138.377%0.76975%0.751SS**  cis-135175.214.8-53.70000113.4
737D24.5Very low27.9Very low138 Ų138136 Ų13674%0.73875%0.746SS**  trans-49.9157.9180-51.2-84.3000117.7
738C24.8Very low27.9Very low104 Ų104137.9 Ų137.970%0.70375%0.751SS**  trans17.5132.9137.2-47.90000120
739Q26.3Very low27.9Very low181 Ų181135.2 Ų135.285%0.84675%0.747SS**  -168.4-178.796.1-141.572-9.200111.5
740A25.7Very low27.6Very low91 Ų91133.4 Ų133.475%0.75275%0.751SS**  trans-28156.9173.200000119.7
741G26.5Very low27.5Very low66 Ų66130.9 Ų130.968%0.6875%0.751SS**  cis140.6-173.7-1.600000113.9
742I24.7Very low27.5Very low143 Ų143127.7 Ų127.773%0.73375%0.751SS**  trans72.9144.4170.9-35.1178.9000116.1
743Y27.2Very low27.2Very low201 Ų201125.4 Ų125.479%0.78874%0.743SS**  trans93.8128.6165.9-64.8-75.1000121.3
744N27.8Very low27.4Very low138 Ų138125.4 Ų125.474%0.73874%0.743SS**  trans73.997.1144.9-71.410000122.9
745S30.2Very low27.1Very low89 Ų89125.7 Ų125.762%0.62274%0.743SS**  64.5125.3114.670.40000122.6
746N28.5Very low27.3Very low155 Ų155124.6 Ų124.683%0.82975%0.745SS**  trans71.2149.8141.7-60.3-2.8000117.8
747C28.4Very low27.4Very low98 Ų98127.5 Ų127.566%0.66275%0.752SS**  cis-152.7144.88.5-1320000111.9
748L30Very low27.5Very low158 Ų158124.6 Ų124.683%0.82775%0.747SS**  trans43.5140.4146.1-57.9167.9000120.9
749S29.7Very low27.6Very low99 Ų99127.3 Ų127.369%0.69275%0.754SS**  cis-158.7145.2-13.149.30000106.2
750V23.1Very low27.7Very low138 Ų138122.8 Ų122.884%0.83674%0.743SS**  -12714365.9178.60000111.8
751S27.5Very low27.8Very low112 Ų112126.2 Ų126.278%0.78374%0.743SS**  trans-113.7113.2166.6-560000107.1
752A28.4Very low27.8Very low85 Ų85127.9 Ų127.970%0.70274%0.741SS**  88.1120.162.200000112
753I25.1Very low28Very low133 Ų133126.2 Ų126.268%0.68274%0.737SS**  trans-104.5116.9162.5-62.2177.9000106.9
754S29.6Very low28Very low111 Ų111122.2 Ų122.278%0.77673%0.73SS**  trans-137.8123.8167.853.60000107.5
755T28.9Very low28Very low102 Ų102122 Ų12263%0.62673%0.729SS**  trans-78.5153.5-173.927.80000112.8
756L29.3Very low27.9Very low165 Ų165123.6 Ų123.686%0.86474%0.735SS**  trans64.7108.8164.4-62.3161.1000116.6
757D29.4Very low27.8Very low171 Ų171121.7 Ų121.791%0.91473%0.729SS**  -127.9157.4125.1-141.7-23.2000108.4
758A27.7Very low27.7Very low76 Ų76122.5 Ų122.563%0.62873%0.731SS**  trans-123.3128.9-17300000111.5
759D26.7Very low27.5Very low161 Ų161120.5 Ų120.586%0.86173%0.725SS**  trans-177168.5131-112.3-31.8000111.5
760S27.1Very low27.3Very low87 Ų87121.8 Ų121.861%0.60873%0.729SS**  trans60.1117.7149.3-176.70000118
761Q28.5Very low27.4Very low162 Ų162120.3 Ų120.376%0.75772%0.72SS**  cis-168.2165.718.3-125.5167.857.700112
762T27.1Very low27.3Very low102 Ų102120.3 Ų120.363%0.62672%0.716SS**  trans5.2140.1140.957.90000118.5
763T28.3Very low27.2Very low107 Ų107122.1 Ų122.166%0.65672%0.723SS**  cis-176.716518.311.70000113.1
764N27.9Very low27.3Very low118 Ų118118.8 Ų118.863%0.63172%0.721SS**  trans51.7116.7137.5-62.3-13.9000122
765N26.7Very low27.3Very low134 Ų134118.4 Ų118.472%0.71772%0.719SS**  72.4168.4119.8-56.9-13.1000120.5
766T28.4Very low27.3Very low122 Ų122120.5 Ų120.575%0.74873%0.725SS**  trans67.997.7161.425.20000115.2
767T26.3Very low27.2Very low115 Ų115118.4 Ų118.471%0.70671%0.713SS**  94.4156.571.7-76.90000110.5
768T26.7Very low27.6Very low114 Ų114117.7 Ų117.770%0.69971%0.709SS**  trans61.696.3173.137.60000114.6
769T25.2Very low27.7Very low116 Ų116117.4 Ų117.471%0.71270%0.702SS**  67.3156.377.767.40000114.4
770V25.4Very low28Very low127 Ų127117.7 Ų117.777%0.7770%0.696SS**  trans73.5127.6157.6169.20000115
771T25.2Very low28.1Very low107 Ų107121.4 Ų121.466%0.65670%0.704SS**  cis-167-174-20.336.50000107.7
772T25.9Very low28.2Very low112 Ų112118.3 Ų118.369%0.68770%0.701SS**  trans65.1108135.946.80000120.6
773S26.2Very low28.3Very low122 Ų122118.9 Ų118.985%0.85370%0.704SS**  80.6146.6112.4-53.90000121.3
774G27.7Very low28.3Very low63 Ų63121.1 Ų121.165%0.64971%0.71SS**  trans118.288.8173.900000111
775S28.8Very low28.1Very low104 Ų104120.5 Ų120.573%0.72771%0.711SS**  43.5122.758.476.80000112
776I29.6Very low28Very low146 Ų146120.3 Ų120.375%0.74971%0.714SS**  -153.6118.264.7-84.3157.1000107.7
777I27.4Very low27.9Very low121 Ų121118.7 Ų118.762%0.62171%0.708SS**  66.4117.497.6-61163.9000114.9
778N36.9Very low27.8Very low155 Ų155120.8 Ų120.883%0.82971%0.714SS**  trans-170.995.5131.7-86.3-26.9000105.6
779S30.2Very low27.8Very low70 Ų70121 Ų12149%0.4972%0.715SS.*  56.9128.556.378.60000113
780F32.5Very low27.9Very low167 Ų167122 Ų12273%0.73272%0.716SS**  cis-128160.616.2-76-92000110.5
781E29.3Very low28.1Very low165 Ų165123.7 Ų123.777%0.77172%0.715SS**  47.914268.7-62.7-176.2130.800113.8
782S31.5Very low28.3Very low98 Ų98122.3 Ų122.369%0.68571%0.71SS**  cis-131.8163.119.3-141.30000110
783T27.9Very low28.5Very low113 Ų113124.6 Ų124.669%0.69372%0.718SS**  cis69.668.927.9-48.60000115.2
784I28.1Very low28.7Very low154 Ų154121.8 Ų121.879%0.7971%0.708SS**  trans-150.4116.9154.4-65.5-169.7000104
785V24.2Very low28.7Very low106 Ų106126.9 Ų126.964%0.64272%0.719SS**  cis78.9126.342.3-176.90000112.8
786T25.4Very low28.8Very low129 Ų129126.1 Ų126.179%0.79172%0.719SS**  trans62.6156.3173.142.60000116.6
787S25.2Very low28.6Very low88 Ų88124 Ų12462%0.61571%0.713SS**  cis-172.8142.5-12.945.20000112.1
788L24.4Very low28.6Very low160 Ų160127.8 Ų127.884%0.83872%0.721SS**  trans56171.1146.8-80.781.2000119.8
789V27.8Very low28.1Very low118 Ų118127 Ų12772%0.71571%0.712SS**  trans70.4103.5166.8-167.80000113.1
790D27.4Very low28Very low137 Ų137130.8 Ų130.873%0.73372%0.722SS**  67.214972.6-59.3-48.3000112.1
791E28.9Very low27.9Very low162 Ų162127.2 Ų127.276%0.75772%0.718SS**  cis-159145.64.6-138.5-172.6141.300110.8
792S29.1Very low27.8Very low78 Ų78124.6 Ų124.655%0.54572%0.717SS.*  trans60.7160.3139.382.90000123.2
793N29.4Very low27.7Very low160 Ų160125.4 Ų125.486%0.85672%0.723SS**  trans62.2136.7147.8-58.5-36.1000120.2
794G31.6Very low27.6Very low63 Ų63128.4 Ų128.465%0.64973%0.729SS**  cis-174.9137.8-500000113.9A796G794-A796 PolarHBondContact O-N 3.28Å
795I27.2Very low27.5Very low170 Ų170128.5 Ų128.587%0.87273%0.73SS**  14.7101.2127.8-50.5177000116.9V797I795-V797 HydrophobicContact CG2-CG2 3.97Å
796A30.1Very low27.9Very low89 Ų89128 Ų12874%0.73673%0.732SS**  trans-155122.6139.600000106.2G794G794-A796 PolarHBondContact O-N 3.28Å
797V25.9Very low28.2Very low102 Ų102127.7 Ų127.762%0.61873%0.732SS**  cis70.2139.841.5-168.10000112I795I795-V797 HydrophobicContact CG2-CG2 3.97Å
798Y27.8Very low28.5Very low200 Ų200133.5 Ų133.578%0.78474%0.742SS**  trans77.7142.9-175.1-58-75.8000116.3
799H26.9Very low29.2Very low138 Ų138131.1 Ų131.164%0.63974%0.736SS**  cis-168.4-178.3-31.5-139.6-128.6000109.5
800H28Very low29.3Very low149 Ų149131.6 Ų131.669%0.6973%0.734SS**  trans67.8121147.7-82.3-53.7000122.2
801S29.4Very low29.4Very low93 Ų93131.7 Ų131.765%0.6574%0.735SS**  trans80.7118130.2-58.60000117.5
802S26.9Very low29.4Very low109 Ų109130.9 Ų130.976%0.76274%0.735SS**  81.9152.954.2-64.80000113.2
803S29.7Very low29.5Very low115 Ų115134.1 Ų134.180%0.80475%0.746SS**  trans71.7107.8-170.3-48.20000111.2
804Q26Very low29.5Very low176 Ų176135.6 Ų135.682%0.82274%0.739SS**  cis44.894.143.2-92.5-146.862.300112.5
805L25.5Very low29.6Very low156 Ų156140.3 Ų140.382%0.81774%0.744SS**  -178.1158.7108.2-95.4157.2000112.3
806S32.8Very low29.9Very low97 Ų97135.5 Ų135.568%0.67874%0.736SS**  trans-76155.1176.1550000113.5
807P31.9Very low30.1Very low121 Ų121138.9 Ų138.979%0.78674%0.74SS**  trans-114.9122.3150.632.4-21.1000112.6
808Y32.7Very low30.3Very low211 Ų211140.5 Ų140.583%0.82775%0.746SS**  trans-70.7148.5155.8-100.1-84.9000109.8
809P38Very low30.6Very low109 Ų109136.2 Ų136.271%0.70874%0.74SS**  -119134119.7-4.424.7000110
810N29.9Very low30.8Very low128 Ų128134.3 Ų134.368%0.68474%0.742SS**  74.2123.165.1-73.9-33.5000115.3
811N29.9Very low31Very low140 Ų140131.2 Ų131.275%0.74974%0.737SS**  trans96.8122.1135.3-73.3-11.8000123.7
812L29.8Very low31.2Very low144 Ų144134.3 Ų134.375%0.75475%0.747SS**  trans95.9111.5137.1-66.6159.4000122.2
813L29.4Very low31.4Very low147 Ų147134.1 Ų134.177%0.7775%0.745SS**  trans69.7147.2152.4-82.566000118.2
814R29.4Very low31.6Very low190 Ų190132.7 Ų132.772%0.71774%0.735SS**  cis-149.8137.38.4-142.1-168.8-172.1-137.51.7113.2
815H33.7Very low32Very low162 Ų162130.7 Ų130.775%0.7574%0.735SS**  trans66.4139.5159.8-60.6-14.7000119.8
816G33.5Very low32.3Very low69 Ų69129 Ų12971%0.71173%0.731SS**  trans-166.8-87.1-174.900000114.3
817I35.4Very low32.3Very low160 Ų160128.9 Ų128.982%0.82173%0.73SS**  trans72128.6177.5-60.9174.2000113.4
818N30.2Very low32.3Very low137 Ų137129.4 Ų129.473%0.73373%0.726SS**  cis-163.1166.5-7.5-123.1-0.7000112
819V32.9Very low32.3Very low109 Ų109126.2 Ų126.266%0.66172%0.718SS**  trans50.7115.1142.6170.10000118.4
820S31.8Very low31.9Very low99 Ų99126.9 Ų126.969%0.69272%0.716SS**  70.4156.453.8870000114
821S33Very low31.8Very low83 Ų83127.7 Ų127.758%0.5872%0.721SS**  cis-164.3164.918.6-15.50000111.8
822N32.9Very low31.7Very low159 Ų159125.5 Ų125.585%0.8572%0.716SS**  trans69.5161.3152.3-57-7.7000118.3
823S31.6Very low31.7Very low105 Ų105128 Ų12873%0.73472%0.721SS**  cis-177.2-179.5-26.4-168.40000106.4
824S33.9Very low31.8Very low85 Ų85126.7 Ų126.759%0.59472%0.715SS**  cis-162.6174.314.9-54.50000112.2
825T34.4Very low31.7Very low133 Ų133124 Ų12482%0.81672%0.715SS**  trans65.8146.2143.349.80000123.4
826V30.6Very low31.4Very low122 Ų122122.7 Ų122.774%0.73971%0.712SS**  cis-170.3154.4-25.282.90000112.9
827S33.2Very low31.2Very low93 Ų93126.1 Ų126.165%0.6571%0.714SS**  trans68.9154.8154.575.80000121.5
828N32.1Very low30.8Very low133 Ų133123.4 Ų123.471%0.71170%0.701SS**  cis-163147.5-20.2-106-2.6000114.3
829H33.2Very low30.8Very low143 Ų143125.5 Ų125.566%0.66271%0.712SS**  trans53.4116.1140.5-69.1-50.2000126.4
830N28.3Very low30.4Very low123 Ų123125.6 Ų125.666%0.65872%0.717SS**  89.8118.8113.7-67.211.3000124.4
831N29.6Very low30.1Very low146 Ų146126.6 Ų126.678%0.78172%0.723SS**  99.3117.1127.4-69.27.6000123.3
832S27.3Very low30Very low94 Ų94128.2 Ų128.266%0.65773%0.729SS**  trans79.1107.3136.4-158.40000121
833F30Very low29.8Very low196 Ų196126.9 Ų126.986%0.8673%0.729SS**  -175.7167.9112.3-99.6-67.1000110.8
834D30Very low29.6Very low120 Ų120127.4 Ų127.464%0.64273%0.728SS**  trans-102.8154.2-148.9-54.6-94000118.5
835N27.8Very low29.3Very low134 Ų134129.5 Ų129.572%0.71774%0.737SS**  trans59.6156.3142.8-67.8-26.1000120
836I27.5Very low28.9Very low133 Ų133127.7 Ų127.768%0.68273%0.729SS**  cis-161.4143.4-18.6-108.9163.1000105
837N29Very low28.7Very low142 Ų142131.8 Ų131.876%0.75973%0.733SS**  cis-151.7138.9-24.4-106.7-5.4000106.4
838N27.3Very low28.4Very low103 Ų103132.3 Ų132.355%0.55174%0.736SS**  trans-159.5102.5-177.8-130.8-24.3000112.1
839L29.5Very low28.3Very low181 Ų181131 Ų13195%0.94874%0.737SS**  trans-169.5145.1153.4-133.172.4000110.9
840S25.5Very low27.9Very low110 Ų110130.4 Ų130.477%0.76974%0.743SS**  trans-110118.618057.60000112
841C24.5Very low27.9Very low121 Ų121132.8 Ų132.882%0.81875%0.751SS**  trans-171.9142.2147.5-109.20000112
842T31.5Very low27.6Very low116 Ų116131.5 Ų131.571%0.71275%0.748SS**  trans13.9133.7157.156.80000120.3
843P29.5Very low27.5Very low132 Ų132132.7 Ų132.786%0.85776%0.755SS**  -114.8125.1118.532.7-32.3000112.8
844T27.7Very low27.7Very low115 Ų115128.4 Ų128.471%0.70675%0.747SS**  trans-74.8-179.3155.4-53.50000108.9
845V27.3Very low27.5Very low129 Ų129127.9 Ų127.978%0.78275%0.753SS**  trans91.1127.4165.9-174.60000114.7
846C25.9Very low27.5Very low96 Ų96127.1 Ų127.165%0.64975%0.753SS**  cis-167.2-174.7-19.7-111.40000110.4
847Y26.7Very low27.4Very low208 Ų208126.7 Ų126.782%0.81675%0.752SS**  trans80.8116.9169.9-63-85.8000114.7
848S26.2Very low27.2Very low104 Ų104127.2 Ų127.273%0.72775%0.75SS**  81.6135.356.6-62.40000111.4
849S30.7Very low27.4Very low105 Ų105130.4 Ų130.473%0.73477%0.765SS**  cis-133.61556.3-58.90000109
850V24.1Very low27.2Very low130 Ų130127.2 Ų127.279%0.78875%0.753SS**  4097.273.7-170.60000114.1
851Q28Very low27.2Very low174 Ų174129.3 Ų129.381%0.81375%0.754SS**  trans-163.9166.4132.5-148.764.5-1.600108.7
852T24.1Very low27.2Very low118 Ų118128.9 Ų128.972%0.72475%0.751SS**  trans-142.2161.3-169.649.80000112.7
853C25.5Very low26.9Very low119 Ų119127.3 Ų127.380%0.80475%0.745SS**  trans73.1170.7164-58.80000116.2
854P33.7Very low26.8Very low107 Ų107129.7 Ų129.770%0.69574%0.742SS**  -137176.1-51.638.1-23.7000114.3
855S26.4Very low26.8Very low109 Ų109132.1 Ų132.176%0.76275%0.75SS**  trans60.5178.5160.353.80000115.6
856V27.2Very low27Very low118 Ų118131.3 Ų131.372%0.71575%0.747SS**  cis-139.8138.913.3179.70000111.2
857N26.1Very low27.2Very low123 Ų123132.4 Ų132.466%0.65876%0.756SS**  trans30.8147.3153.4-59.819.1000126.4
858E23.9Very low27.3Very low153 Ų153127.7 Ų127.772%0.71575%0.753SS**  trans48.8100.2133-61.9167.9116.100122.5
859I31.4Very low27.3Very low170 Ų170130.8 Ų130.887%0.87276%0.756SS**  -141.8113.9120.6-55-175.3000105.4
860T25.4Very low27.1Very low115 Ų115132.7 Ų132.771%0.70676%0.757SS**  cis92.7126.845.1-58.70000113.7
861I24.7Very low27.2Very low153 Ų153132.3 Ų132.379%0.78576%0.755SS**  trans-68.1135.8-168.1-61.5151.8000113.5
862C25.3Very low27.1Very low112 Ų112127.8 Ų127.876%0.75775%0.747SS**  trans-175138133-94.60000109.5
863S25.5Very low27.1Very low83 Ų83127.7 Ų127.758%0.5875%0.752SS**  cis90.1140.224.299.20000115.6
864K27.9Very low27.2Very low183 Ų183127.2 Ų127.280%0.79675%0.75SS**  trans80.2111.1-174.9-57.5166.1-174.8171.40113.9
865L27.7Very low27.1Very low165 Ų165129.5 Ų129.586%0.86476%0.755SS**  88.5157.272.1-100.677.4000112.6
866P31.2Very low27.2Very low112 Ų112129.9 Ų129.973%0.72776%0.755SS**  cis-125.8-169.35.542.5-27.2000115.2
867S30.1Very low27.1Very low120 Ų120129.6 Ų129.684%0.83975%0.753SS**  trans-121.6133.6174.6-500000112.2
868S27.6Very low27Very low108 Ų108129.3 Ų129.376%0.75576%0.76SS**  trans172.1150.8164.743.50000108.7
869Q27.8Very low27.2Very low170 Ų170126.5 Ų126.579%0.79476%0.757SS**  cis-152.9170.1-3.5-121.7-178.217.300111
870L26.1Very low27Very low144 Ų144125.2 Ų125.275%0.75475%0.752SS**  trans-2.9154.4143.4-55.8169000118.1
871V26Very low27.1Very low122 Ų122126.4 Ų126.474%0.73975%0.754SS**  cis-160128.612.6103.90000108.4
872A25Very low27.2Very low79 Ų79125.4 Ų125.465%0.65376%0.755SS**  70.6146.296.300000118.6
873S25.3Very low27.1Very low117 Ų117126.6 Ų126.682%0.81876%0.759SS**  trans72.3154.7173.292.80000115.5
874S27.2Very low27.1Very low109 Ų109130.4 Ų130.476%0.76277%0.772SS**  cis-144.7161.12.6-70.20000111.8
875L31.2Very low27.1Very low154 Ų154129.4 Ų129.481%0.80677%0.77SS**  trans-81.5146.9160.7-81.8150.1000110.2V877L875-V877 HydrophobicContact CB-CG2 4.49Å
876P28Very low27.2Very low117 Ų117126.5 Ų126.576%0.7676%0.758SS**  -134.7155.2102.125.9-8.4000112.4
877V24.7Very low27.1Very low112 Ų112126 Ų12668%0.67975%0.754SS**  cis90.210030.8179.60000114.3L875L875-V877 HydrophobicContact CB-CG2 4.49Å
878C25.1Very low27.3Very low118 Ų118127.3 Ų127.380%0.79775%0.746SS**  trans65.3165.4160.3-57.40000117.1
879S27.1Very low27.5Very low93 Ų93130.1 Ų130.165%0.6575%0.747SS**  cis-153167.515-40.30000113.4
880N28.6Very low27.7Very low143 Ų143127.2 Ų127.277%0.76575%0.746SS**  trans71.9138.3158-56.7-27.5000117.9
881N26Very low27.9Very low140 Ų140126 Ų12675%0.74974%0.744SS**  cis105.4152.424.5-81.6-19.4000114.1
882T27Very low28.2Very low133 Ų133125.8 Ų125.882%0.81675%0.745SS**  trans68.6121-167.565.30000113.6
883V24.1Very low28.4Very low136 Ų136128.6 Ų128.682%0.82475%0.748SS**  cis86107.422.4-172.40000114.9
884L25.9Very low28.7Very low163 Ų163131.2 Ų131.285%0.85375%0.749SS**  trans165.5134.7146.7-88.4160.4000105.2
885H27.6Very low29.1Very low163 Ų163129.9 Ų129.976%0.75574%0.74SS**  cis127.9171.712.9-174.5-103.3000107.8
886V29.9Very low29.4Very low103 Ų103130.3 Ų130.362%0.62474%0.743SS**  trans95.381.2167.8-169.70000118.5
887T28.7Very low29.6Very low103 Ų103128.3 Ų128.363%0.63274%0.744SS**  64.6167.9127.868.50000121.9
888H35.1Very low30.2Very low147 Ų147130.2 Ų130.268%0.68175%0.748SS**  cis-154.3155.817.6-114.7-61.3000113.8
889Q31.8Very low30.9Very low166 Ų166128.2 Ų128.278%0.77673%0.732SS**  trans65.2148.5149-74.7165.6-19.300120.1
890S31.8Very low31.3Very low110 Ų110129.1 Ų129.177%0.76973%0.734SS**  cis-152.8170.4-0.7-99.50000112.2
891V29Very low31.9Very low119 Ų119125.4 Ų125.472%0.72172%0.719SS**  trans-124.6167.5-171.1-138.70000112.8I893V891-I893 HydrophobicContact CB-CD1 4.44Å; V891-I893 HydrophobicContact CB-CG1 4.39Å; V891-I893 HydrophobicContact CG1-CG1 4.21Å
892P33.4Very low32.8Very low116 Ų116122.6 Ų122.675%0.75370%0.704SS**  -138144.987.929.4-10.4000114.2
893I28.3Very low33.4Very low138 Ų138122.7 Ų122.771%0.70870%0.699SS**  67.8112.862.3-55.2161.6000110.6V891V891-I893 HydrophobicContact CB-CD1 4.44Å; V891-I893 HydrophobicContact CB-CG1 4.39Å; V891-I893 HydrophobicContact CG1-CG1 4.21Å
894M31Very low34.3Very low172 Ų172122.1 Ų122.185%0.84769%0.691SS**  -156.5162.272.2-72.4171.161.800111.1
895S35.6Very low35.1Very low81 Ų81122 Ų12257%0.56668%0.683SS**  cis-168.1156.9-16.149.10000110.9
896N38.6Very low35.7Very low164 Ų164120.8 Ų120.888%0.87768%0.682SS**  trans87.4119.7172.6-51.4-6.3000116.3
897G31.5Very low35.7Very low75 Ų75125.2 Ų125.277%0.77369%0.693SS**  cis165.590.4-8.700000114.5
898I37.6Very low35.9Very low151 Ų151125.1 Ų125.177%0.77469%0.692SS**  trans-125.5141.6162.4-65.1177.9000106.9D902I898-D902 HydrophobicContact CG2-CB 4.39Å
899T40.1Very low35.8Very low76 Ų76123.6 Ų123.647%0.46669%0.693SS.*  trans-90.8153.2-162.885.20000112.9S901 D902T899-S901 PolarHBondContact O-N 2.96Å; T899-S901 VanDerWaalsContact OG1-CB 3.28Å; T899-S901 WeakPolarHBondContact OG1-CB 3.31Å; T899-S901 PolarHBondContact OG1-N 2.93Å; T899-D902 WeakPolarHBondContact CA-OD2 3.45Å; T899-D902 WeakPolarHBondContact CB-OD2 3.47Å; T899-D902 PolarHBondContact N-OD2 2.89Å; T899-D902 WeakPolarHBondContact O-CB 3.45Å; T899-D902 PolarHBondContact O-N 3.26Å; T899-D902 VanDerWaalsContact O-N 3.08Å; T899-D902 VanDerWaalsContact OG1-CG 3.31Å; T899-D902 PolarHBondContact OG1-OD2 3.27Å
900V34.7Very low35.8Very low112 Ų112122.8 Ų122.868%0.67969%0.69SS**Hα-helixtrans-65-19.8172.8-175.10000111.4D902 L903 L904V900-D902 PolarHBondContact O-N 2.73Å; V900-L903 PolarHBondContact O-N 2.85Å; V900-L904 VanDerWaalsContact O-CB 3.25Å; V900-L904 WeakPolarHBondContact O-CB 3.17Å; V900-L904 PolarHBondContact O-N 3.36Å
901S42.4Very low35.6Very low66 Ų66124.3 Ų124.346%0.46269%0.688SS.*Hα-helixtrans-62.8-31.2172.4-1580000112.5T899 K905T899-S901 PolarHBondContact O-N 2.96Å; T899-S901 VanDerWaalsContact OG1-CB 3.28Å; T899-S901 WeakPolarHBondContact OG1-CB 3.31Å; T899-S901 PolarHBondContact OG1-N 2.93Å; S901-K905 WeakPolarHBondContact O-CG 3.43Å
902D44.5Very low35.7Very low81 Ų81124.3 Ų124.343%0.43369%0.689SS.*Hα-helixtrans-79-33.4-176.5-52.3-54.4000111.6I898 T899 V900I898-D902 HydrophobicContact CG2-CB 4.39Å; T899-D902 WeakPolarHBondContact CA-OD2 3.45Å; T899-D902 WeakPolarHBondContact CB-OD2 3.47Å; T899-D902 PolarHBondContact N-OD2 2.89Å; T899-D902 WeakPolarHBondContact O-CB 3.45Å; T899-D902 PolarHBondContact O-N 3.26Å; T899-D902 VanDerWaalsContact O-N 3.08Å; T899-D902 VanDerWaalsContact OG1-CG 3.31Å; T899-D902 PolarHBondContact OG1-OD2 3.27Å; V900-D902 PolarHBondContact O-N 2.73Å
903L40.5Very low35.6Very low134 Ų134125.1 Ų125.170%0.70269%0.687SS**Hα-helixtrans-81.7-31.2174.5-76.5166.5000113.1V900 K905V900-L903 PolarHBondContact O-N 2.85Å; L903-K905 PolarHBondContact O-N 2.93Å
904L42.6Very low35.5Very low125 Ų125125.8 Ų125.865%0.65469%0.692SS**Hα-helixtrans-82-10.2-175.9-153.769.2000114V900 L906V900-L904 VanDerWaalsContact O-CB 3.25Å; V900-L904 WeakPolarHBondContact O-CB 3.17Å; V900-L904 PolarHBondContact O-N 3.36Å; L904-L906 VanDerWaalsContact C-N 3.31Å
905K43Very low35.4Very low161 Ų161123.6 Ų123.670%0.769%0.694SS**THydrogen-bonded Turntrans-79.6-8.7171.9-77.7172.7-177170.40114.3S901 L903S901-K905 WeakPolarHBondContact O-CG 3.43Å; L903-K905 PolarHBondContact O-N 2.93Å
906L40Very low35.3Very low137 Ų137122.7 Ų122.772%0.71770%0.697SS**THydrogen-bonded Turntrans-99.72-170.2-110.7160.1000114.6L904L904-L906 VanDerWaalsContact C-N 3.31Å
907F30.5Very low34.9Very low196 Ų196122.4 Ų122.486%0.8670%0.696SS**SBendtrans-142.621.2-168.1-124.1-87.8000117.3
908T32.9Very low34.9Very low101 Ų101123 Ų12362%0.6269%0.688SS**  trans-137.2112.7-179.225.20000113.9
909T31.3Very low34.6Very low115 Ų115123.1 Ų123.171%0.70669%0.69SS**  trans43.9114.414057.90000117.9
910Q32.3Very low34Very low149 Ų149128.8 Ų128.870%0.69671%0.708SS**  -166.5141.463.9-74.9-60.834.500109.7
911L27.6Very low34Very low141 Ų141128.4 Ų128.474%0.73871%0.708SS**  44.2105.187.3-69178.9000115.4
912T30.9Very low33.3Very low120 Ų120130 Ų13074%0.73672%0.715SS**  171.8152.5104.735.40000113.4
913N31.6Very low32.5Very low133 Ų133132.6 Ų132.671%0.71173%0.727SS**  trans55.3120.5156.5-55.7-25.8000119.6
914N27.2Very low32.1Very low151 Ų151134.1 Ų134.181%0.80773%0.728SS**  cis85.8135.149.5-79.8-30.8000116.2
915S28.9Very low31.4Very low127 Ų127134.6 Ų134.689%0.88873%0.732SS**  trans92.7149.2155.2-150.60000119.3
916G32.4Very low30.9Very low62 Ų62131.5 Ų131.564%0.63973%0.73SS**  trans101.4102.3-174.100000112
917N29.6Very low30.5Very low158 Ų158130.9 Ų130.985%0.84573%0.733SS**  56.5133.562.5-68.8-11.7000113.6
918S31.5Very low30.6Very low88 Ų88127.9 Ų127.962%0.61573%0.725SS**  cis-172.5-177.7-0.144.90000111.7
919N32.2Very low30.6Very low153 Ų153129.1 Ų129.182%0.81873%0.728SS**  trans81.696154.5-57.5-19.9000121.4
920K28.4Very low30.5Very low194 Ų194129.5 Ų129.584%0.84373%0.725SS**  -46.6179.4129-88.8-176.7173.1-1790112.9
921P33.8Very low30.6Very low105 Ų105128.2 Ų128.268%0.68272%0.723SS**  cis-136.8-131.1-4141.7-23.2000111.1
922V28.4Very low30.7Very low100 Ų100128.6 Ų128.661%0.60673%0.726SS**  trans91.8113.9168.7-174.80000114.3F924V922-F924 HydrophobicContact CG1-CD2 3.91Å; V922-F924 HydrophobicContact CG1-CE2 3.87Å
923I26.8Very low30.8Very low134 Ų134127.3 Ų127.369%0.68772%0.722SS**  cis91.7152.549.9-58.8157000112.5
924F31.3Very low30.7Very low166 Ų166125.6 Ų125.673%0.72872%0.721SS**  trans98.4134.7166.1-60.4-69.7000117.6V922V922-F924 HydrophobicContact CG1-CD2 3.91Å; V922-F924 HydrophobicContact CG1-CE2 3.87Å
925D28Very low31Very low135 Ų135129 Ų12972%0.72272%0.724SS**  cis-164.5-177.5-20.9-149.9-7.6000112.9
926S33.1Very low31.1Very low96 Ų96127 Ų12767%0.67171%0.71SS**  trans86.8133.2156.1750000117.9
927T32.4Very low31Very low125 Ų125128.6 Ų128.677%0.76771%0.711SS**  cis-154.2164.6-4.21.60000112.2
928L31.7Very low31.2Very low133 Ų133129.9 Ų129.970%0.69671%0.709SS**  trans-6.2150.6151.4-86.559.4000118.7
929D32.9Very low31Very low127 Ų127131 Ų13168%0.67971%0.711SS**  cis-143.6139.119.2-95.9-47.4000109.9
930N30.6Very low30.9Very low123 Ų123131 Ų13166%0.65871%0.706SS**  89.2146.563.1-97.9-39.3000116.3
931N32.8Very low31Very low122 Ų122127 Ų12765%0.65270%0.703SS**  trans72.6112.1158.3-61.8-37.1000120.9
932N30.8Very low30.8Very low148 Ų148127.1 Ų127.179%0.79170%0.702SS**  trans73.1143.9132.6-61.4-21.9000119.6
933S32.3Very low30.8Very low94 Ų94129.9 Ų129.966%0.65771%0.712SS**  cis-162.1131.7-10.248.70000112.9
934S30.4Very low30.9Very low97 Ų97128.4 Ų128.468%0.67871%0.709SS**  62.3149.7128.5-49.70000122.8
935Y32.6Very low30.8Very low223 Ų223128 Ų12888%0.87571%0.714SS**  trans69.7146.1168.3-60.3-87.3000118.3
936S30.3Very low31.1Very low85 Ų85126.6 Ų126.659%0.59471%0.712SS**  cis-176.7148.7-25170.60000110.2
937S32.1Very low30.8Very low94 Ų94127.7 Ų127.766%0.65772%0.718SS**  trans60.7151.5151.448.80000119.4
938K32.3Very low30.7Very low186 Ų186125.9 Ų125.981%0.80972%0.716SS**  cis-146.8133.4-10.8-106.7154.9-179.9178.60104.7
939V28.4Very low30.5Very low110 Ų110127.1 Ų127.167%0.66772%0.723SS**  67.9104.466.7168.10000112.5
940Q28.8Very low30.3Very low153 Ų153127.8 Ų127.872%0.71573%0.726SS**  trans52.9164.1158.6-7593.1-70.600118.2
941S31.8Very low30.3Very low110 Ų110125.7 Ų125.777%0.76973%0.726SS**  cis-149.4138.719.8-26.70000109.3
942T28.1Very low30.2Very low109 Ų109124.3 Ų124.367%0.66973%0.726SS**  94.7133.562.7-60.70000113.1
943I30.2Very low30.4Very low157 Ų157125.5 Ų125.581%0.80572%0.724SS**  trans75.7145.1164.1-83.2163.3000118.4
944T27.9Very low30.3Very low103 Ų103127 Ų12763%0.63273%0.725SS**  cis-173123.7-34.4-91.50000109.7
945L28.5Very low30.5Very low159 Ų159123.6 Ų123.683%0.83270%0.702SS**  trans57.1-179159.1-62.6170.6000117.3
946P34.8Very low30.7Very low104 Ų104116.5 Ų116.568%0.67568%0.682SS**  -135-173.4-69.342.1-27.6000115.1
947C27.5Very low31Very low119 Ų119117.2 Ų117.280%0.80468%0.679SS**  trans87.9136.5154.8-69.50000121.5
948A29.8Very low31.2Very low88 Ų88116.6 Ų116.673%0.72767%0.669SS**  trans66120.7150.800000121.3
949L27.4Very low31.5Very low158 Ų158115.6 Ų115.683%0.82766%0.664SS**  45.9136.4126.7-55.6169.9000119
950N28.9Very low32Very low142 Ų142118.7 Ų118.776%0.75967%0.672SS**  cis-162.2158.428.1-145.6-9.4000114.6
951A30.7Very low32.3Very low79 Ų79116.4 Ų116.465%0.65366%0.664SS**  trans34.1142.2150.200000125.2
952S30Very low32.4Very low92 Ų92116.8 Ų116.864%0.64366%0.657SS**  trans75.5134.2133.4168.80000119.2
953K34.7Very low32.5Very low174 Ų174118 Ų11876%0.75766%0.658SS**  cis-170.4150.39.5-111.4168.5-153.3160.60112.8
954N31.4Very low32.7Very low125 Ų125118.2 Ų118.267%0.66865%0.654SS**  trans52.8168.8135-65.610.6000123.6
955A34.9Very low33.1Very low25 Ų25120.7 Ų120.721%0.20766%0.663CS.*  cis-175.5-164.8-22.600000111.7A14 N1127 S1128A14-A955 HydrophobicContact CB-CB 3.96Å; A955-N1127 WeakPolarHBondContact CA-OD1 3.5Å; A955-N1127 CarbonylContact O-C 3.29Å; A955-N1127 VanDerWaalsContact O-CA 3.23Å; A955-N1127 WeakPolarHBondContact O-CA 3.22Å; A955-S1128 PolarHBondContact O-N 2.88Å
956T36.4Very low33.5Very low74 Ų74116.1 Ų116.145%0.45465%0.654SS.*EExtended strand (participates in β ladder)trans104.4-179.9-179.975.10000115.4S13 L1125 T1126 N1127 S1128S13-T956 PolarHBondContact O-N 3.08Å; T956-L1125 CarbonylContact O-C 3.56Å; T956-T1126 CarbonylContact O-C 3.5Å; T956-T1126 WeakPolarHBondContact O-CA 3.41Å; T956-T1126 PolarHBondContact O-N 3.09Å; T956-N1127 WeakPolarHBondContact O-CA 3.41Å; T956-N1127 WeakPolarHBondContact O-CB 3.36Å; T956-N1127 PolarHBondContact O-N 3.47Å; T956-N1127 WeakPolarHBondContact OG1-CA 3.24Å; T956-N1127 PolarHBondContact OG1-N 2.91Å; T956-S1128 PolarHBondContact OG1-N 3.47Å
957N35.3Very low33.4Very low100 Ų100119.5 Ų119.554%0.53567%0.666SS.*EExtended strand (participates in β ladder)cis129.686.81.742.3-85.3000119.6L1124 L1125 T1126N957-L1124 PolarHBondContact OD1-O 3.09Å; N957-L1125 CarbonylContact C-O 3.51Å; N957-L1125 VanDerWaalsContact C-O 3.23Å; N957-L1125 WeakPolarHBondContact CA-O 3.42Å; N957-L1125 WeakPolarHBondContact CB-O 3.45Å; N957-L1125 PolarHBondContact N-O 3.36Å; N957-T1126 CarbonylContact C-O 3.35Å; N957-T1126 WeakPolarHBondContact CA-O 3.34Å; N957-T1126 VanDerWaalsContact N-CA 3.27Å; N957-T1126 PolarHBondContact N-O 3.39Å; N957-T1126 VanDerWaalsContact O-O 3.08Å
958N37.8Very low33.6Very low82 Ų82121.3 Ų121.344%0.43967%0.667SS.*  cis-166.3164.12.3-153.6-5.1000118.5P1123 L1124 L1125 T1126N958-P1123 PolarHBondContact ND2-O 3.29Å; N958-L1124 WeakPolarHBondContact OD1-CB 3.2Å; N958-L1125 WeakPolarHBondContact CA-O 3.25Å; N958-L1125 WeakPolarHBondContact CB-O 3.45Å; N958-L1125 PolarHBondContact N-O 3.1Å; N958-L1125 VanDerWaalsContact N-O 3.13Å; N958-L1125 PolarHBondContact OD1-N 2.8Å; N958-T1126 VanDerWaalsContact CA-OG1 3.26Å; N958-T1126 WeakPolarHBondContact CA-OG1 3.43Å; N958-T1126 PolarHBondContact N-O 3.17Å
959K37.4Very low33.9Very low164 Ų164122 Ų12271%0.71367%0.665SS**  trans-86.4153.6-179.1-101.2-169.7178.5-174.70116.6
960Q39.9Very low34.1Very low176 Ų176121.7 Ų121.782%0.82266%0.663SS**  trans-155.9145.7172.3-72.9-159.414.900121
961N35Very low34.2Very low104 Ų104122.2 Ų122.256%0.55667%0.665SS**  60.2124.1126.3-62.6-19.1000130.4
962I32.8Very low34.2Very low119 Ų119121 Ų12161%0.6165%0.654SS**  82.9128112.5-66.3172.7000126.5
963L30.4Very low34.2Very low134 Ų134124.4 Ų124.470%0.70267%0.666SS**  trans72.4151.4146-86.6168.3000128.8
964F35.8Very low34.1Very low162 Ų162121.6 Ų121.671%0.71167%0.668SS**  trans89.8128.2149.7-73.8-58.4000124.9
965N35.8Very low34.3Very low154 Ų154119.9 Ų119.982%0.82467%0.666SS**  trans44.8153.7146.8-57-10.7000122.1
966G35.6Very low34.3Very low63 Ų63123.3 Ų123.365%0.64969%0.688SS**  cis140.591.3-9.500000115.5
967N33Very low33.9Very low175 Ų175127.2 Ų127.294%0.93671%0.705SS**  trans152.7152.3148.4-81.7-30.3000115
968L33.3Very low33.7Very low157 Ų157127.6 Ų127.682%0.82272%0.715SS**  trans-72.8177.6171.2-105.871.2000112.3
969P34.8Very low33.5Very low104 Ų104128.7 Ų128.768%0.67573%0.73SS**  cis-140.9170.424.334.6-11.7000119
970L32.5Very low33.5Very low151 Ų151125.6 Ų125.679%0.79173%0.726SS**  trans31.6134.2143.9-54.9172.2000119.1
971L30.5Very low32.9Very low153 Ų153127.3 Ų127.380%0.80173%0.726SS**  cis-151.3-178.720.2-143.567000107
972A31.6Very low32.7Very low52 Ų52125.8 Ų125.843%0.4372%0.724SS.*  cis-154.7-163.66.700000110.8S974A972-S974 VanDerWaalsContact O-CA 3.32Å; A972-S974 WeakPolarHBondContact O-CA 3.44Å; A972-S974 PolarHBondContact O-N 3.24Å; A972-S974 VanDerWaalsContact O-N 3.15Å
973N29.2Very low32.6Very low165 Ų165125 Ų12588%0.88273%0.725SS**SBendtrans10.682.7158.5-63.917.5000117.4
974S32.6Very low32.6Very low114 Ų114124.7 Ų124.780%0.79772%0.724SS**SBendcis-169.7104.5-21.9400000107.9A972A972-S974 VanDerWaalsContact O-CA 3.32Å; A972-S974 WeakPolarHBondContact O-CA 3.44Å; A972-S974 PolarHBondContact O-N 3.24Å; A972-S974 VanDerWaalsContact O-N 3.15Å
975S36.6Very low32.3Very low90 Ų90123.4 Ų123.463%0.62972%0.724SS**  cis-161.8139.3-5.542.90000110.4
976S32.9Very low32.1Very low97 Ų97121.9 Ų121.968%0.67872%0.721SS**  trans45.6108.9156.755.70000119.3
977I29.6Very low31.7Very low155 Ų155125 Ų12580%0.79573%0.726SS**  98.9131.662.7-80163000113.4
978S30.4Very low31.6Very low109 Ų109124 Ų12476%0.76272%0.72SS**  trans61.3138.9160.265.80000122.9
979S33.3Very low31.5Very low105 Ų105124.4 Ų124.473%0.73472%0.715SS**  trans-66.9-172.5152.154.90000111.5
980P37.1Very low31.3Very low98 Ų98125.9 Ų125.964%0.63671%0.713SS**  cis-138.2-159.66.125.23.2000115.2
981Y28.5Very low31.3Very low212 Ų212124.5 Ų124.583%0.83171%0.706SS**  trans88.9137.8159.2-71.9-73.6000123.1
982S29.4Very low31.2Very low73 Ų73121.8 Ų121.851%0.5169%0.692SS.*  trans72.2109.5139.1-74.40000125
983V31.1Very low31.2Very low102 Ų102125.4 Ų125.462%0.61871%0.713SS**  72.6108.1117.1176.90000120.4
984N30.3Very low31.3Very low128 Ų128120.4 Ų120.468%0.68470%0.695SS**  trans51.9136.5135.5-59.4-13.4000123.3
985N30.5Very low31.5Very low135 Ų135120.2 Ų120.272%0.72269%0.691SS**  33.5130.2128.5-41.3-22.3000118.4
986T30.3Very low31.3Very low122 Ų122123.4 Ų123.475%0.74870%0.699SS**  -162.4136.260.432.50000112
987V29.1Very low31.2Very low127 Ų127128.6 Ų128.677%0.7771%0.705SS**  72.5150.2107.2-171.50000115
988I29.9Very low31.3Very low156 Ų156127.1 Ų127.180%0.870%0.704SS**  trans77.2130.8179.1-46.8-175000113.2
989K30.7Very low31.5Very low164 Ų164127.2 Ų127.271%0.71370%0.702SS**  cis-171.4168.9-30.2-131.8178.8171.9-161.90109.2
990Q30.5Very low31.2Very low135 Ų135129.4 Ų129.463%0.63170%0.704SS**  trans77.2121.7149.1-79.2-179.6-115.900121.4
991D32.8Very low31.1Very low122 Ų122134 Ų13465%0.65272%0.718SS**  8699.8127.8-50.2-10.1000121.6
992D29.5Very low31.2Very low96 Ų96128.2 Ų128.251%0.51370%0.704SS.*  trans35.9116.1136.9-61.8-44.6000121.9
993C31.3Very low31.3Very low128 Ų128133.1 Ų133.187%0.86572%0.723SS**  -164.7156.4108.3-107.20000111.8
994A31.3Very low31.5Very low60 Ų60134.6 Ų134.650%0.49673%0.726SS.*  trans-87.2156.6169.700000110.9
995P35.8Very low31.5Very low111 Ų111134.1 Ų134.172%0.72173%0.728SS**  -150.7154.8119.537.8-20.9000117.3
996I32.9Very low31.6Very low157 Ų157134 Ų13481%0.80573%0.733SS**  54.6112.3129.6-58.2173.2000120.7
997Y30.8Very low31.8Very low205 Ų205133.4 Ų133.480%0.80473%0.729SS**  40.9121129.7-97.6-101.4000123.5
998T32.2Very low32.1Very low125 Ų125133.6 Ų133.677%0.76773%0.73SS**  trans72.8151.9140.140.40000122.2
999P33.3Very low32.4Very low111 Ų111131.8 Ų131.872%0.72173%0.728SS**  trans-114.5161.3-17341.8-31.4000114.7
1000L28.5Very low32.5Very low150 Ų150127.9 Ų127.979%0.78573%0.727SS**  trans-169.2125.6138.3-134.772.9000112.9
1001E33.8Very low32.6Very low196 Ų196129.4 Ų129.492%0.91674%0.736SS**  trans-136114148.2-71.8-170.614600105.2
1002T31Very low32.6Very low89 Ų89128.7 Ų128.755%0.54674%0.736SS.*  cis80.494.535.4-45.50000112.4I1004T1002-I1004 HydrophobicContact CG2-CD1 4.3Å; T1002-I1004 HydrophobicContact CG2-CG1 3.82Å
1003I32.7Very low32.8Very low176 Ų176131.3 Ų131.390%0.90375%0.751SS**  trans-107.7137.5160.4-63.9179000107
1004I34.1Very low32.8Very low134 Ų134132.4 Ų132.469%0.68774%0.743SS**  trans-106.8120.5-155.3-70.2-179.6000112.9T1002T1002-I1004 HydrophobicContact CG2-CD1 4.3Å; T1002-I1004 HydrophobicContact CG2-CG1 3.82Å
1005T29.5Very low32.7Very low118 Ų118138 Ų13872%0.72476%0.756SS**  trans29.3140152.266.20000122.6
1006T32.6Very low32.6Very low133 Ų133137.8 Ų137.882%0.81676%0.755SS**  -138.1115.8124.915.10000111.3
1007T36Very low32.6Very low109 Ų109138.9 Ų138.967%0.66976%0.759SS**  trans34.1107.4147.254.40000119.8
1008T34.5Very low32.7Very low130 Ų130134.4 Ų134.480%0.79876%0.755SS**  72.5148.367.765.20000115.5
1009P36.5Very low32.4Very low118 Ų118135.9 Ų135.977%0.76676%0.756SS**  cis-141.4167.515.742.6-24.6000119.7
1010A32.3Very low32.2Very low83 Ų83138.1 Ų138.169%0.68676%0.761SS**  trans80.5153.7141.800000123.5
1011M33.2Very low32.4Very low166 Ų166136 Ų13682%0.81876%0.759SS**  trans67.6116.6174.2-47.6-53.2177.400118.1
1012T33.2Very low32.5Very low107 Ų107132.4 Ų132.466%0.65675%0.753SS**  cis165.5144.9-33.836.20000107.1
1013N32.6Very low32.6Very low152 Ų152132.1 Ų132.181%0.81375%0.754SS**  trans76.7154.4167.2-52.2-9.6000118.1
1014E31.9Very low32.5Very low150 Ų150130.7 Ų130.770%0.70175%0.747SS**  cis-179.1112.7-47.1-100.8-95.9121.500109.3
1015F29.7Very low32.4Very low179 Ų179130.3 Ų130.379%0.78575%0.745SS**  trans54.1-174.4165.2-72.6-83.8000118.2
1016P33.7Very low32.5Very low106 Ų106132.8 Ų132.869%0.68875%0.746SS**  -115.7164-51.334.6-23.9000112.7
1017M32.6Very low32.6Very low180 Ų180134.9 Ų134.989%0.88775%0.751SS**  trans-86.2123.1167.2-87.5-64.9-65.100111.6
1018P34.1Very low32.4Very low111 Ų111136 Ų13672%0.72175%0.753SS**  trans-88.9172.6-177.435.8-36000114.1
1019I25.9Very low32.4Very low156 Ų156137.1 Ų137.180%0.875%0.754SS**  trans-110.1138.3173.6-55.6163.4000107.4
1020L28.8Very low32.4Very low157 Ų157139.1 Ų139.182%0.82275%0.753SS**  trans172.9166136.2-94.4162.1000113.3
1021S31.3Very low32.5Very low105 Ų105142.7 Ų142.773%0.73476%0.76SS**  trans-109.1154.1-177-41.50000112.1
1022P36.3Very low32.7Very low122 Ų122139.1 Ų139.179%0.79275%0.749SS**  trans-102.2168.9163.535.9-29.2000113.2
1023S32.8Very low32.8Very low82 Ų82141.5 Ų141.557%0.57376%0.756SS**  trans-132.4165.6178.8-740000112.1
1024I30.2Very low32.9Very low146 Ų146139.8 Ų139.875%0.74975%0.753SS**  trans-78.5144.4-168.1-60165.2000113.1
1025I33.4Very low33.3Very low127 Ų127138.2 Ų138.265%0.65176%0.756SS**  trans-132.1146.3159.4-47.3-178.5000109.1I368I368-I1025 HydrophobicContact CD1-CD1 4.08Å; I368-I1025 HydrophobicContact CD1-CG1 3.81Å; I368-I1025 HydrophobicContact CD1-CG2 4.47Å; I368-I1025 HydrophobicContact CG1-CD1 4.31Å; I368-I1025 HydrophobicContact CG1-CG1 4.07Å; I368-I1025 HydrophobicContact CG2-CD1 3.79Å; I368-I1025 HydrophobicContact CG2-CG1 4.37Å
1026K31.7Very low33.6Very low170 Ų170138.4 Ų138.474%0.73976%0.764SS**  trans-109.8154176.7-71.8-178.7173.2-177.10112
1027L33.6Very low33.6Very low176 Ų176136.3 Ų136.392%0.92176%0.762SS**  trans-139.5154.8148.2-76.4-179.9000110.9
1028N31.7Very low33.8Very low132 Ų132136.1 Ų136.171%0.70676%0.763SS**  trans-112.3165.7-179.3-61.8-25000110.8
1029N34.8Very low33.9Very low155 Ų155136.3 Ų136.383%0.82976%0.764SS**  173.998.8120.5-85.2-15.2000115.6
1030H37Very low34.8Very low159 Ų159134.3 Ų134.374%0.73676%0.761SS**  41.5122.6118.8-154.1-79.4000122
1031L35.2Very low35.2Very low159 Ų159133.6 Ų133.683%0.83276%0.763SS**  178.2162121.7-108100000112.3
1032P36Very low35.3Very low91 Ų91133.8 Ų133.859%0.59177%0.765SS**  trans-143.9-173.9-148.645.9-27.8000119.8
1033I35.1Very low35.3Very low156 Ų156134.3 Ų134.380%0.877%0.765SS**  trans76.3155153.2-80164.5000116.9
1034P36.3Very low35.4Very low117 Ų117135.4 Ų135.476%0.7677%0.771SS**  cis-128.7175.810.241.8-26.4000118.4
1035P38.8Very low35.3Very low117 Ų117135.6 Ų135.676%0.7677%0.772SS**  trans-121.3161.817141-30.1000116.9
1036L36.4Very low35.1Very low182 Ų182138.3 Ų138.395%0.95378%0.78SS**  trans-151.5152.3169.8-77.2162.5000108.4
1037G33.7Very low35Very low63 Ų63134.3 Ų134.365%0.64977%0.773SS**  cis160.2152.1-9.200000113
1038I37.1Very low34.7Very low175 Ų175134.4 Ų134.490%0.89777%0.769SS**  trans86.9139.4162.2-60.4172.5000118.7
1039P36.7Very low34.4Very low115 Ų115133 Ų13375%0.74777%0.766SS**  trans-139.7-130.4-142.444.6-19.4000116.7
1040P43.9Very low34.1Very low115 Ų115131.2 Ų131.275%0.74777%0.765SS**  trans-132.8171.7-135.140.6-17.7000119.7
1041V36.4Very low33.7Very low142 Ų142129.1 Ų129.186%0.86177%0.768SS**  trans-158.4151.2170.2-178.60000108.5
1042S34.2Very low33.6Very low109 Ų109128.3 Ų128.376%0.76277%0.765SS**  cis-164-179.4-34.5-84.20000110.1
1043T35.7Very low33.6Very low132 Ų132129.4 Ų129.481%0.8177%0.772SS**  trans-101.7-171.6177.849.90000111.4
1044P34.8Very low33.2Very low105 Ų105127.6 Ų127.668%0.68277%0.768SS**  cis-156.8-174.921.145.1-21000122.2
1045L28.7Very low32.8Very low150 Ų150126.8 Ų126.879%0.78577%0.765SS**  trans78.7114.4139.4-112.953000125.1
1046F28.6Very low32.2Very low184 Ų184127.7 Ų127.781%0.80776%0.763SS**  17.7155.4112.9-82.3-120.6000120.4
1047S29.4Very low31.8Very low86 Ų86124.7 Ų124.760%0.60176%0.757SS**  cis177.6-178.9-11.8-96.30000110.9
1048Q27.5Very low31.7Very low178 Ų178126.6 Ų126.683%0.83276%0.76SS**  trans76.1159.3164-64.1-178.871.200117.7
1049T26.6Very low31.6Very low104 Ų104123.3 Ų123.364%0.63875%0.753SS**  cis-144.5148.55.434.70000112.8
1050S27.4Very low31.7Very low117 Ų117124 Ų12482%0.81876%0.757SS**  trans60.8161.6148.372.10000119.7
1051S30.2Very low31.4Very low114 Ų114124.9 Ų124.980%0.79775%0.753SS**  cis-141.2166.59.555.30000114.2
1052N32.5Very low31.8Very low142 Ų142121.1 Ų121.176%0.75973%0.734SS**  trans-66.9160.6170.9-95.9-13.6000112.2
1053P35Very low32.1Very low115 Ų115121.8 Ų121.875%0.74773%0.728SS**  cis-146.4151.147.939.7-19.3000120.6
1054T28.1Very low32.6Very low118 Ų118122 Ų12272%0.72472%0.719SS**  33.8115.1129.3-40.60000120.5
1055S26.7Very low33.2Very low99 Ų99122.7 Ų122.769%0.69271%0.714SS**  178.1156.110750.40000115.1
1056L27.5Very low34Very low137 Ų137118.7 Ų118.772%0.71770%0.696SS**  trans5488.1152.9-67.8157.8000119.2
1057S28.3Very low34.8Very low118 Ų118115.3 Ų115.383%0.82569%0.686SS**  trans-95.4137.9151.861.40000110.9
1058S30.4Very low35.5Very low103 Ų103118.1 Ų118.172%0.7269%0.691SS**  trans-121.6104.6175.345.20000110.9
1059S34.7Very low36.1Very low107 Ų107116.4 Ų116.475%0.74869%0.687SS**PPolyproline II helixtrans-94.7134.3172.4-64.20000110.5M1061S1059-M1061 PolarHBondContact O-N 3.44Å
1060P39Very low36.6Very low128 Ų128117.7 Ų117.783%0.83169%0.689SS**PPolyproline II helixtrans-68.4130.1170.428.4-32.8000110.4
1061M37.6Very low37Very low134 Ų134116.2 Ų116.266%0.6668%0.684SS**PPolyproline II helixtrans-67.4150.2-178.7-76.4-157.1-62.700113.2S1059S1059-M1061 PolarHBondContact O-N 3.44Å
1062S44.2Very low37.2Very low64 Ų64115.5 Ų115.545%0.44868%0.679SS.*PPolyproline II helixtrans-74.9140.1169.766.40000111.6Q1064 Q1065S1062-Q1064 PolarHBondContact O-N 3Å; S1062-Q1064 VanDerWaalsContact O-N 3.15Å; S1062-Q1065 PolarHBondContact O-N 3.18Å
1063L41.4Very low37Very low122 Ų122112.7 Ų112.764%0.63968%0.676SS**Hα-helixtrans-63.8-24.4-171.9-147.3151.3000112.7Q1065 L1067L1063-Q1065 VanDerWaalsContact C-N 3.32Å; L1063-Q1065 PolarHBondContact O-N 3.5Å; L1063-L1067 HydrophobicContact CD2-CD1 3.58Å; L1063-L1067 HydrophobicContact CD2-CG 4.07Å; L1063-L1067 PolarHBondContact O-N 3.46Å
1064Q45.5Very low37Very low136 Ų136112 Ų11264%0.63668%0.68SS**Hα-helixtrans-62.7-28172.3-86.879.3400114.7S1062S1062-Q1064 PolarHBondContact O-N 3Å; S1062-Q1064 VanDerWaalsContact O-N 3.15Å
1065Q48.7Very low37.1Very low120 Ų120113.1 Ų113.156%0.56169%0.686SS**Hα-helixtrans-84.5-41.3-179.4-72.5-177.1-17.600111.8S1062 L1063 L1067 M1068 L1069S1062-Q1065 PolarHBondContact O-N 3.18Å; L1063-Q1065 VanDerWaalsContact C-N 3.32Å; L1063-Q1065 PolarHBondContact O-N 3.5Å; Q1065-L1067 VanDerWaalsContact C-N 3.33Å; Q1065-L1067 PolarHBondContact O-N 2.85Å; Q1065-M1068 PolarHBondContact O-N 3.49Å; Q1065-L1069 PolarHBondContact O-N 3.41Å
1066T44.4Very low37.2Very low67 Ų67112.9 Ų112.941%0.41169%0.691SS.*Hα-helixtrans-59.3-41.5177.1-46.90000112.4M1068 L1070T1066-M1068 VanDerWaalsContact C-N 3.27Å; T1066-M1068 PolarHBondContact O-N 2.99Å; T1066-L1070 PolarHBondContact O-N 3.11Å
1067L45.7Very low37.3Very low113 Ų113112.1 Ų112.159%0.59270%0.696SS**Hα-helixtrans-71.5-16.2177.4-75.2175.2000114.3L1063 Q1065L1063-L1067 HydrophobicContact CD2-CD1 3.58Å; L1063-L1067 HydrophobicContact CD2-CG 4.07Å; L1063-L1067 PolarHBondContact O-N 3.46Å; Q1065-L1067 VanDerWaalsContact C-N 3.33Å; Q1065-L1067 PolarHBondContact O-N 2.85Å
1068M43.8Very low37.5Very low145 Ų145112.5 Ų112.571%0.71469%0.693SS**Hα-helixtrans-87.6-21.5-179.1-153.2173.2-59.100113Q1065 T1066Q1065-M1068 PolarHBondContact O-N 3.49Å; T1066-M1068 VanDerWaalsContact C-N 3.27Å; T1066-M1068 PolarHBondContact O-N 2.99Å
1069L41.6Very low37.6Very low142 Ų142113.5 Ų113.574%0.74370%0.697SS**Hα-helixtrans-96.2-29175.5-82.9161.7000113.4Q1065 A1071 S1072Q1065-L1069 PolarHBondContact O-N 3.41Å; L1069-A1071 PolarHBondContact O-N 3.34Å; L1069-S1072 PolarHBondContact O-N 2.93Å
1070L36.2Very low37.3Very low130 Ų130116 Ų11668%0.68170%0.701SS**G310 helixtrans-70.1-13.8179.9-165.959.1000113.5T1066 S1072T1066-L1070 PolarHBondContact O-N 3.11Å; L1070-S1072 PolarHBondContact O-N 2.85Å
1071A35.2Very low37Very low86 Ų86119.3 Ų119.371%0.71170%0.703SS**G310 helixtrans-80.17.4177.100000114.7L1069L1069-A1071 PolarHBondContact O-N 3.34Å
1072S35.4Very low36.5Very low99 Ų99118.7 Ų118.769%0.69271%0.707SS**G310 helixtrans-132.212.4-169.7-58.20000115.4L1069 L1070L1069-S1072 PolarHBondContact O-N 2.93Å; L1070-S1072 PolarHBondContact O-N 2.85Å
1073A28.7Very low35.8Very low84 Ų84120.2 Ų120.269%0.69472%0.718SS**  trans-136.679.3-174.700000113.3
1074A33.6Very low35.1Very low101 Ų101119 Ų11984%0.83572%0.719SS**  trans-153.333.7173.700000113.9
1075T30.1Very low34.3Very low140 Ų140118.2 Ų118.286%0.85972%0.724SS**  trans-10280.3-174.750.20000113.2
1076A28.8Very low33.3Very low95 Ų95120.1 Ų120.179%0.78574%0.737SS**  trans-168.8105.316100000113.4
1077S29.5Very low32.7Very low120 Ų120120.6 Ų120.684%0.83975%0.748SS**  trans16789141.439.80000111.9
1078V33Very low31.8Very low126 Ų126122.5 Ų122.576%0.76476%0.759SS**  trans-100.4130.9168.2172.60000109.3L1080V1078-L1080 HydrophobicContact CG1-CD1 4.24Å; V1078-L1080 HydrophobicContact CG1-CG 3.97Å
1079P31.7Very low31.1Very low124 Ų124120.6 Ų120.681%0.80576%0.759SS**  trans-122.1105.8148.532.8-21.3000110.5
1080L29.6Very low30.6Very low159 Ų159122.3 Ų122.383%0.83276%0.764SS**  trans-80129.4167.9-84.6159.2000109.6V1078V1078-L1080 HydrophobicContact CG1-CD1 4.24Å; V1078-L1080 HydrophobicContact CG1-CG 3.97Å
1081K32.2Very low30.3Very low198 Ų198124.9 Ų124.986%0.86177%0.772SS**  trans-149.2126.4154.4-122.8171.6-174.4177.90114.2
1082T26.8Very low30.1Very low122 Ų122128.1 Ų128.175%0.74878%0.776SS**  trans-45.8162.8161.5600000112.6
1083S29.9Very low29.8Very low96 Ų96130.3 Ų130.367%0.67178%0.78SS**  cis-160.5156.232.5-49.40000114.7
1084S27.5Very low29.7Very low96 Ų96131.7 Ų131.767%0.67178%0.779SS**  trans57.2119.5131.168.40000124.3
1085T27.6Very low29.3Very low119 Ų119133.9 Ų133.973%0.7378%0.777SS**  82.9140.4121.255.70000124.7
1086L27.8Very low29.2Very low161 Ų161134.7 Ų134.784%0.84377%0.771SS**  trans70.2142.5158.8-92.973.5000117.3
1087A32.2Very low29.2Very low77 Ų77140.8 Ų140.864%0.63677%0.774SS**  cis-154.5148.95.700000115.1
1088N27.1Very low29Very low152 Ų152141.5 Ų141.581%0.81377%0.768SS**  trans52.4110.8131.7-62.27.4000124.5
1089S27.5Very low28.8Very low105 Ų105143.8 Ų143.873%0.73477%0.77SS**  100.1159.8109.8-150.70000122.2
1090E32.3Very low28.8Very low179 Ų179141.8 Ų141.884%0.83676%0.764SS**  trans69.1100.1167.1-47.2-159.3167.400116.5
1091H28.8Very low28.7Very low183 Ų183141.3 Ų141.385%0.84776%0.762SS**  cis94.3153.924.8-148.7-85.8000114.2
1092I30.9Very low28.5Very low154 Ų154136.9 Ų136.979%0.7976%0.756SS**  trans79.7133.2-179.6-52.4161.7000113.7
1093N29.4Very low28.7Very low146 Ų146136 Ų13678%0.78176%0.755SS**  cis-140.5164.5-5.2-154.8-6.2000111.5
1094V26.6Very low28.7Very low112 Ų112137.1 Ų137.168%0.67976%0.758SS**  trans-143.2145.8174.5-161.40000111.7
1095N26.2Very low28.8Very low147 Ų147135.8 Ų135.879%0.78675%0.753SS**  trans77.2128.8170-43.1-74.3000117.8
1096Q26.9Very low28.9Very low157 Ų157135.4 Ų135.473%0.73475%0.75SS**  -150.9121.3124.2-83.8-147.3-20.800112.9
1097W28.7Very low29Very low223 Ų223134.8 Ų134.885%0.84575%0.747SS**  trans92.984.2132.9-64.318000121.6
1098N26.7Very low29Very low135 Ų135137.5 Ų137.572%0.72276%0.755SS**  trans-32.7162.8144-59.7-17.7000119.5
1099H28.8Very low29.1Very low175 Ų175134.3 Ų134.381%0.8175%0.75SS**  trans67.7151.8155.8-56.9-56.9000117.2
1100A30.1Very low29.6Very low81 Ų81134.8 Ų134.867%0.66975%0.751SS**  cis-152.615315.500000114.9
1101D27.9Very low29.6Very low150 Ų150130.4 Ų130.480%0.80275%0.745SS**  52.3119.1128.2-61.1-2.5000125.6
1102S29Very low29.7Very low105 Ų105127.4 Ų127.473%0.73474%0.739SS**  87103.8117.1-1570000123.7
1103S29.9Very low29.9Very low102 Ų102126.4 Ų126.471%0.71374%0.735SS**  83.9145.7123.9-57.70000124.5
1104T30.1Very low29.9Very low120 Ų120126.1 Ų126.174%0.73673%0.733SS**  trans101.2119.3144.6-25.40000120.1
1105A30.2Very low30.3Very low69 Ų69125.8 Ų125.857%0.5773%0.731SS**  trans64.4161.5146.500000121.2
1106T30.2Very low30.7Very low110 Ų110125.6 Ų125.668%0.67573%0.73SS**  cis-169.8139.3-26.9-88.40000108.7
1107I28.8Very low31Very low149 Ų149123.7 Ų123.776%0.76473%0.73SS**  trans27.4128.6156.5-53.6162.4000119.3
1108T32.3Very low31.2Very low134 Ų134118.6 Ų118.682%0.82272%0.723SS**  174.6155106.9-42.10000110.9
1109A30.8Very low31.5Very low85 Ų85117.5 Ų117.570%0.70272%0.722SS**  trans-103.2-158.6165.500000108.9
1110P37Very low31.6Very low115 Ų115114.9 Ų114.975%0.74772%0.718SS**  cis-135.8-171.4-9.643.5-26.2000114.7
1111A31.7Very low31.8Very low86 Ų86117.2 Ų117.271%0.71172%0.724SS**  trans68.7171.1155.100000116.7
1112T31.7Very low31.9Very low120 Ų120116.3 Ų116.374%0.73672%0.724SS**  cis-153.2174.111.3-28.20000110.8
1113I34.1Very low32.2Very low134 Ų134115.8 Ų115.869%0.68772%0.718SS**  trans73.6103.9157-67.2158.9000114.8
1114N31.3Very low32.4Very low139 Ų139115.9 Ų115.974%0.74371%0.71SS**  73.515885-49.1-17.5000113
1115T35.1Very low32.4Very low106 Ų106113.8 Ų113.865%0.6569%0.694SS**  cis-145.5141.312.235.80000111.7
1116N32.5Very low32.6Very low143 Ų143111.5 Ų111.577%0.76567%0.673SS**  trans62.5161.4136.8-52.6-5.4000119
1117T33.7Very low32.7Very low117 Ų117108 Ų10872%0.71865%0.65SS**  cis-150.7151.711.7-22.80000110.5
1118T33.1Very low33Very low115 Ų115104.5 Ų104.571%0.70664%0.638SS**  trans23.1145.4145.653.40000121.5
1119T32.4Very low33Very low113 Ų113103.9 Ų103.969%0.69363%0.63SS**  cis-170.2142.822.17.70000108.6
1120T31.6Very low33.4Very low119 Ų119106.3 Ų106.373%0.7364%0.636SS**  62.4124.190.8-52.70000113.8
1121T33.6Very low33.2Very low130 Ų130106.4 Ų106.480%0.79864%0.635SS**  cis-162.2174.90.514.50000112.7
1122V31.7Very low33.4Very low132 Ų132110.3 Ų110.380%0.864%0.638SS**  trans-85.2-177.6169-119.30000112.2
1123P34.4Very low33.5Very low93 Ų93111.8 Ų111.860%0.60464%0.636SS**  cis-145.9-175.7-11.737.2-14.6000118.9N958N958-P1123 PolarHBondContact ND2-O 3.29Å
1124L33.4Very low33.5Very low105 Ų105113.5 Ų113.555%0.5564%0.641SS.*  trans98.7174.3138.2-135.569.1000123.3N957 N958N957-L1124 PolarHBondContact OD1-O 3.09Å; N958-L1124 WeakPolarHBondContact OD1-CB 3.2Å
1125L31.2Very low33.5Very low76 Ų76113.9 Ų113.940%0.39864%0.643SS.*  trans-104.5-160.8-140.1-65.6154.5000117.2T956 N957 N958T956-L1125 CarbonylContact O-C 3.56Å; N957-L1125 CarbonylContact C-O 3.51Å; N957-L1125 VanDerWaalsContact C-O 3.23Å; N957-L1125 WeakPolarHBondContact CA-O 3.42Å; N957-L1125 WeakPolarHBondContact CB-O 3.45Å; N957-L1125 PolarHBondContact N-O 3.36Å; N958-L1125 WeakPolarHBondContact CA-O 3.25Å; N958-L1125 WeakPolarHBondContact CB-O 3.45Å; N958-L1125 PolarHBondContact N-O 3.1Å; N958-L1125 VanDerWaalsContact N-O 3.13Å; N958-L1125 PolarHBondContact OD1-N 2.8Å
1126T33.4Very low33.7Very low21 Ų21112.6 Ų112.613%0.12964%0.636CS.*EExtended strand (participates in β ladder)trans66.5105.2159.274.60000126.6V11 T12 T956 N957 N958V11-T1126 VanDerWaalsContact C-CB 3.47Å; V11-T1126 VanDerWaalsContact C-CG2 3.44Å; V11-T1126 WeakPolarHBondContact O-CG2 3.37Å; T12-T1126 VanDerWaalsContact C-CA 3.46Å; T12-T1126 VanDerWaalsContact N-CB 3.29Å; T12-T1126 WeakPolarHBondContact O-CG2 3.45Å; T956-T1126 CarbonylContact O-C 3.5Å; T956-T1126 WeakPolarHBondContact O-CA 3.41Å; T956-T1126 PolarHBondContact O-N 3.09Å; N957-T1126 CarbonylContact C-O 3.35Å; N957-T1126 WeakPolarHBondContact CA-O 3.34Å; N957-T1126 VanDerWaalsContact N-CA 3.27Å; N957-T1126 PolarHBondContact N-O 3.39Å; N957-T1126 VanDerWaalsContact O-O 3.08Å; N958-T1126 VanDerWaalsContact CA-OG1 3.26Å; N958-T1126 WeakPolarHBondContact CA-OG1 3.43Å; N958-T1126 PolarHBondContact N-O 3.17Å
1127N33.2Very low33.6Very low35 Ų35114.3 Ų114.319%0.18763%0.633CS.*EExtended strand (participates in β ladder)cis166.4135.3-22169113.2000112.8V11 T12 A955 T956V11-N1127 HydrophobicContact CG1-CB 3.53Å; V11-N1127 WeakPolarHBondContact CG1-O 3.44Å; T12-N1127 WeakPolarHBondContact OG1-CB 3.28Å; T12-N1127 PolarHBondContact OG1-OD1 3.5Å; A955-N1127 WeakPolarHBondContact CA-OD1 3.5Å; A955-N1127 CarbonylContact O-C 3.29Å; A955-N1127 VanDerWaalsContact O-CA 3.23Å; A955-N1127 WeakPolarHBondContact O-CA 3.22Å; T956-N1127 WeakPolarHBondContact O-CA 3.41Å; T956-N1127 WeakPolarHBondContact O-CB 3.36Å; T956-N1127 PolarHBondContact O-N 3.47Å; T956-N1127 WeakPolarHBondContact OG1-CA 3.24Å; T956-N1127 PolarHBondContact OG1-N 2.91Å
1128S34.8Very low33.5Very low76 Ų76116 Ų11653%0.53163%0.633SS.*  trans173.7132147.2-97.30000123.4A955 T956A955-S1128 PolarHBondContact O-N 2.88Å; T956-S1128 PolarHBondContact OG1-N 3.47Å
1129D32.6Very low33.6Very low121 Ų121115.1 Ų115.165%0.64763%0.628SS**  69151.2127.4-58-53.9000130.1
1130T39.2Very low33.7Very low136 Ų136114.6 Ų114.683%0.83462%0.624SS**  trans90.4157.7170.666.50000120.4
1131V32.4Very low33.9Very low118 Ų118115.6 Ų115.672%0.71563%0.625SS**  -169.7159.8-62.6140.90000109.3
1132H35.8Very low34Very low168 Ų168116.1 Ų116.178%0.77862%0.623SS**  trans88.3152-177.9-65.4-77.1000117.9
1133H34.2Very low34.1Very low150 Ų150116 Ų11669%0.69462%0.618SS**  cis-166.5164.2-40.9-132.432.7000111.7
1134H34.5Very low34.3Very low170 Ų170119.5 Ų119.579%0.78763%0.631SS**  trans70.9166.6166.5-69.7-65.9000122.2
1135N31.5Very low34.3Very low148 Ų148119.7 Ų119.779%0.79164%0.641SS**  trans-174.8-174-147.8-16042.2000108.7
1136P37.8Very low34.4Very low78 Ų78123.7 Ų123.751%0.50666%0.663SS.*  -117.1-142.8-81.944.4-29000114.2
1137Y31.7Very low34.5Very low180 Ų180127.9 Ų127.971%0.70669%0.693SS**  trans97.3112.4171.3-62.1-68.8000116
1138E31.9Very low34.5Very low151 Ų151131.3 Ų131.371%0.70672%0.72SS**  81.5144.682.9-82.7-179.8-172.200113.1
1139T34Very low34.5Very low98 Ų98137.9 Ų137.960%0.60173%0.734SS**  cis-145.8152.316.536.70000115
1140T34.5Very low34.6Very low101 Ų101138.7 Ų138.762%0.6274%0.737SS**  trans39.8139.5141.770.50000125.2
1141D35.8Very low34.3Very low140 Ų140139.2 Ų139.275%0.74974%0.735SS**  175.6110.8108.2-86.55.5000114.3
1142D36.1Very low34.4Very low141 Ų141138.9 Ų138.975%0.75474%0.738SS**  trans42.3134.2142.4-82.727000128.7
1143N33.4Very low34.4Very low130 Ų130135.5 Ų135.570%0.69573%0.729SS**  trans63.2113.2142.8-63.8-46.5000122.9
1144L39.7Very low34.3Very low167 Ų167135.3 Ų135.387%0.87473%0.73SS**  -167.5161.596.7-101.8169.3000113.7
1145S31.8Very low34.4Very low109 Ų109135.3 Ų135.376%0.76273%0.728SS**  trans-50.1141.2-171.4-47.50000118.1
1146D34.6Very low34.6Very low160 Ų160130.8 Ų130.886%0.85671%0.709SS**  trans-153158.5149.1-149.7-7.1000114.5
1147S35.5Very low34.5Very low108 Ų108134 Ų13476%0.75572%0.715SS**  trans-67.3127.8-169.8-1750000114.8
1148S33Very low34.8Very low107 Ų107132.4 Ų132.475%0.74871%0.714SS**  trans-148.421.417356.10000115.8
1149Y33.8Very low35.3Very low214 Ų214134.9 Ų134.984%0.83972%0.717SS**  trans-81.1171.2162.9-80.1-100.1000110.7
1150I36Very low35.8Very low138 Ų138134.2 Ų134.271%0.70871%0.712SS**SBendtrans6543.1179.8-31.5-179.1000116.2
1151N33.2Very low36.8Very low148 Ų148131.9 Ų131.979%0.79170%0.698SS**  trans-133.34.9161.5-106.9-62.9000116.6
1152S33.6Very low38Very low111 Ų111127.7 Ų127.778%0.77668%0.675SS**  trans-104.644.3-166.2-63.10000116.4
1153T35.8Very low39.4Very low97 Ų97125.7 Ų125.760%0.59567%0.67SS**  trans-128.128.6164.967.80000115.9K80 F1155K80-T1153 PolarHBondContact NZ-OG1 3.25Å; T1153-F1155 PolarHBondContact O-N 2.89Å
1154M32.3Very low41.1Very low146 Ų146125.1 Ų125.172%0.71967%0.673SS**  trans-76.246.5172.6-109.3-61.5-154.100114R81 S1156R81-M1154 VanDerWaalsContact NH2-CE 3.32Å; M1154-S1156 PolarHBondContact O-N 3.38Å
1155F36.6Very low42.9Very low169 Ų169118.5 Ų118.574%0.74164%0.638SS**  trans-7078.5171.5-82.7-77.7000111.7T1153T1153-F1155 PolarHBondContact O-N 2.89Å
1156S34.9Very low45.1Very low54 Ų54119.1 Ų119.138%0.37863%0.627SS.*  trans-52.1150.4143.7-178.50000109.1M1154 Q1158M1154-S1156 PolarHBondContact O-N 3.38Å; S1156-Q1158 PolarHBondContact O-N 2.92Å; S1156-Q1158 PolarHBondContact OG-N 3.48Å; S1156-Q1158 PolarHBondContact OG-OE1 3.22Å
1157F36.4Very low47Very low144 Ų144116.8 Ų116.863%0.63261%0.612SS**  trans-76.955.5161.7-76.5-89.5000109.1K73K73-F1157 HydrophobicContact CD-CE2 4.37Å
1158Q37.6Very low49Very low147 Ų147117.3 Ų117.369%0.68760%0.602SS**  trans-59.3137.8161-132.771.8-8.400106.3S1156 V1160S1156-Q1158 PolarHBondContact O-N 2.92Å; S1156-Q1158 PolarHBondContact OG-N 3.48Å; S1156-Q1158 PolarHBondContact OG-OE1 3.22Å; Q1158-V1160 PolarHBondContact O-N 3.05Å
1159R42.8Very low51.2Low203 Ų203113.7 Ų113.777%0.76657%0.574SS**  trans-67.5112.5-175.9-53.5-179.7-156164.78.1108.2V1161R1159-V1161 HydrophobicContact CB-CG2 3.61Å; R1159-V1161 PolarHBondContact O-N 3.22Å
1160V44.6Very low53.5Low85 Ų85105.2 Ų105.252%0.51554%0.543SS..  trans-74.770.2161.9-175.40000106.7Q1158 Y1202Q1158-V1160 PolarHBondContact O-N 3.05Å; V1160-Y1202 HydrophobicContact CB-CD1 4.03Å; V1160-Y1202 HydrophobicContact CB-CE1 4.31Å; V1160-Y1202 HydrophobicContact CG1-CD1 4.44Å; V1160-Y1202 CarbonylContact O-C 3.23Å; V1160-Y1202 WeakPolarHBondContact O-CA 3.33Å
1161V55.5Low55.5Low52 Ų52103.3 Ų103.332%0.31553%0.534SS..  trans-69.8132.3159.8-171.90000104.8R1159R1159-V1161 HydrophobicContact CB-CG2 3.61Å; R1159-V1161 PolarHBondContact O-N 3.22Å
1162L61.5Low57.8Low51 Ų51103.2 Ų103.227%0.26753%0.527SS..  trans-48.4147.3170.4-69.4169.6000109.5I1203 R1234L1162-I1203 HydrophobicContact CD1-CB 4.41Å; L1162-I1203 HydrophobicContact CD1-CD1 4.16Å; L1162-I1203 HydrophobicContact CD1-CG2 3.86Å; L1162-R1234 PolarHBondContact O-NH1 3.45Å; L1162-R1234 PolarHBondContact O-NH2 3.3Å
1163P64.8Low60.1Low100 Ų10099 Ų9965%0.64949%0.494SS*.  trans-43.6153.5-177.4-31.535.9000113.6L1165 R1234P1163-L1165 PolarHBondContact O-N 2.88Å; P1163-L1165 VanDerWaalsContact O-N 3.15Å; P1163-R1234 PolarHBondContact O-NH2 2.9Å
1164P69.8Low62.1Low117 Ų11798.8 Ų98.876%0.7650%0.497SS*.PPolyproline II helixtrans-47.7127173.8-25.434.4000109.6K1166P1164-K1166 PolarHBondContact O-N 3.08Å
1165L77.7Confident64.7Low28 Ų2897.5 Ų97.515%0.14749%0.489CS..PPolyproline II helixtrans-54.1128.3179.5-74.8-179.6000108.3P1163 D1169 I1170 E1230 I1233 R1234 L1237P1163-L1165 PolarHBondContact O-N 2.88Å; P1163-L1165 VanDerWaalsContact O-N 3.15Å; L1165-D1169 HydrophobicContact CD2-CB 4.28Å; L1165-I1170 HydrophobicContact CB-CD1 4.2Å; L1165-I1170 HydrophobicContact CB-CG1 4.13Å; L1165-I1170 HydrophobicContact CD1-CG1 4.34Å; L1165-E1230 HydrophobicContact CD1-CB 3.85Å; L1165-E1230 HydrophobicContact CD1-CG 3.69Å; L1165-E1230 HydrophobicContact CG-CG 4.35Å; L1165-I1233 HydrophobicContact CD1-CB 3.82Å; L1165-I1233 HydrophobicContact CD1-CD1 4.31Å; L1165-I1233 HydrophobicContact CD1-CG2 3.6Å; L1165-I1233 HydrophobicContact CD2-CG2 3.96Å; L1165-I1233 HydrophobicContact CG-CG2 4.43Å; L1165-R1234 HydrophobicContact CD1-CG 4.19Å; L1165-R1234 HydrophobicContact CD2-CG 3.88Å; L1165-R1234 HydrophobicContact CG-CG 4.12Å; L1165-L1237 HydrophobicContact CD2-CD1 3.76Å
1166K76.8Confident67.2Low122 Ų12290.7 Ų90.753%0.5346%0.46SS..PPolyproline II helixtrans-69156174.7-63175171.8179.50108.8P1164 E1168 D1169 I1170P1164-K1166 PolarHBondContact O-N 3.08Å; K1166-E1168 HydrophobicContact CB-CG 3.71Å; K1166-E1168 HydrophobicContact CD-CG 3.76Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.43Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.15Å; K1166-E1168 HydrophobicContact CG-CG 4.48Å; K1166-E1168 IonicContact NZ-OE1 3.45Å; K1166-E1168 PolarHBondContact NZ-OE1 3.32Å; K1166-E1168 PolarHBondContact O-N 3.05Å; K1166-D1169 PolarHBondContact N-OD2 3Å; K1166-D1169 WeakPolarHBondContact O-CB 3.42Å; K1166-D1169 PolarHBondContact O-N 2.9Å; K1166-I1170 PolarHBondContact O-N 3.39Å
1167Q74.7Confident70Confident112 Ų11291.5 Ų91.552%0.52347%0.465SS..Hα-helixtrans-59.4-34.4174.3-168.359.442.100111.4D1169 I1170 D1171Q1167-D1169 VanDerWaalsContact C-N 3.33Å; Q1167-D1169 PolarHBondContact O-N 3.02Å; Q1167-I1170 PolarHBondContact O-N 3.29Å; Q1167-I1170 VanDerWaalsContact O-N 3.07Å; Q1167-D1171 WeakPolarHBondContact CG-OD2 3.38Å; Q1167-D1171 PolarHBondContact NE2-OD1 2.95Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.26Å; Q1167-D1171 VanDerWaalsContact O-CG 3.31Å; Q1167-D1171 PolarHBondContact O-N 3.35Å
1168E77.1Confident72.8Confident118 Ų11885.1 Ų85.155%0.55144%0.437SS*.Hα-helixtrans-60.3-35.3173.667.4-172.5-163.900113.7K1166 I1170 K1172K1166-E1168 HydrophobicContact CB-CG 3.71Å; K1166-E1168 HydrophobicContact CD-CG 3.76Å; K1166-E1168 WeakPolarHBondContact CD-OE1 3.43Å; K1166-E1168 WeakPolarHBondContact CE-OE1 3.15Å; K1166-E1168 HydrophobicContact CG-CG 4.48Å; K1166-E1168 IonicContact NZ-OE1 3.45Å; K1166-E1168 PolarHBondContact NZ-OE1 3.32Å; K1166-E1168 PolarHBondContact O-N 3.05Å; E1168-I1170 VanDerWaalsContact C-N 3.34Å; E1168-K1172 WeakPolarHBondContact O-CB 3.45Å; E1168-K1172 PolarHBondContact O-N 2.94Å
1169D79.4Confident75.5Confident32 Ų3282.6 Ų82.617%0.17143%0.426CS..Hα-helixtrans-70.1-34.1174.3-67.3-60.3000111.6L1165 K1166 Q1167 Y1173 I1233 L1237L1165-D1169 HydrophobicContact CD2-CB 4.28Å; K1166-D1169 PolarHBondContact N-OD2 3Å; K1166-D1169 WeakPolarHBondContact O-CB 3.42Å; K1166-D1169 PolarHBondContact O-N 2.9Å; Q1167-D1169 VanDerWaalsContact C-N 3.33Å; Q1167-D1169 PolarHBondContact O-N 3.02Å; D1169-Y1173 WeakPolarHBondContact O-CD2 3.36Å; D1169-I1233 HydrophobicContact CB-CG2 4.35Å; D1169-L1237 HydrophobicContact CB-CD1 4.31Å
1170I81.7Confident78Confident35 Ų3577.1 Ų77.118%0.17941%0.409CS..Hα-helixtrans-73.9-42.9-178.8-64.7171.4000110.5L1165 K1166 Q1167 E1168 I1233L1165-I1170 HydrophobicContact CB-CD1 4.2Å; L1165-I1170 HydrophobicContact CB-CG1 4.13Å; L1165-I1170 HydrophobicContact CD1-CG1 4.34Å; K1166-I1170 PolarHBondContact O-N 3.39Å; Q1167-I1170 PolarHBondContact O-N 3.29Å; Q1167-I1170 VanDerWaalsContact O-N 3.07Å; E1168-I1170 VanDerWaalsContact C-N 3.34Å; I1170-I1233 HydrophobicContact CG1-CD1 4.26Å
1171D78.4Confident80.5Confident99 Ų9973.2 Ų73.253%0.52939%0.385SS..Hα-helixtrans-75.3-33.5-178.8-63.1-19.6000111.9Q1167 Y1173Q1167-D1171 WeakPolarHBondContact CG-OD2 3.38Å; Q1167-D1171 PolarHBondContact NE2-OD1 2.95Å; Q1167-D1171 PolarHBondContact NE2-OD2 3.26Å; Q1167-D1171 VanDerWaalsContact O-CG 3.31Å; Q1167-D1171 PolarHBondContact O-N 3.35Å; D1171-Y1173 PolarHBondContact O-N 3.38Å
1172K81.6Confident82.4Confident145 Ų14570.8 Ų70.863%0.6337%0.37SS*.Hα-helixtrans-60.6-27.9175.2175.5172.7179.9171.70113.7E1168E1168-K1172 WeakPolarHBondContact O-CB 3.45Å; E1168-K1172 PolarHBondContact O-N 2.94Å
1173Y82.8Confident84.1Confident24 Ų2473.8 Ų73.89%0.09438%0.383CS..THydrogen-bonded Turntrans-116.361.1-179.3-59.5-60.3000111D1169 D1171 E1175 L1176 W1221 I1233 Q1236 L1237 N1240D1169-Y1173 WeakPolarHBondContact O-CD2 3.36Å; D1171-Y1173 PolarHBondContact O-N 3.38Å; Y1173-E1175 PolarHBondContact O-N 3.28Å; Y1173-L1176 HydrophobicContact CD1-CD2 3.94Å; Y1173-L1176 HydrophobicContact CG-CD1 4.26Å; Y1173-L1176 HydrophobicContact CG-CD2 4.31Å; Y1173-W1221 WeakPolarHBondContact O-CH2 3.36Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.83Å; Y1173-I1233 HydrophobicContact CE2-CG2 4.34Å; Y1173-Q1236 HydrophobicContact CD1-CG 4.2Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.77Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.91Å; Y1173-L1237 HydrophobicContact CE2-CG 4.04Å; Y1173-N1240 PolarHBondContact OH-ND2 2.89Å; Y1173-N1240 VanDerWaalsContact OH-ND2 3.09Å
1174S77.9Confident85.6Confident92 Ų9275 Ų7564%0.64338%0.375SS*.SBendtrans-65-33.3-176.857.40000114.4W1221S1174-W1221 PolarHBondContact O-NE1 2.7Å
1175E85.8Confident86.8Confident119 Ų11969.5 Ų69.556%0.55634%0.338SS*.SBendtrans-136.3134.1169.9-171.3160.3-159.100111Y1173 K1222Y1173-E1175 PolarHBondContact O-N 3.28Å; E1175-K1222 WeakPolarHBondContact OE1-CE 3.33Å; E1175-K1222 IonicContact OE1-NZ 2.75Å; E1175-K1222 PolarHBondContact OE1-NZ 3.33Å; E1175-K1222 IonicContact OE2-NZ 3.98Å
1176L89.6Confident87.7Confident25 Ų2572.1 Ų72.113%0.13135%0.346CS..  trans-140.3140.3-177.2-75.1-176.5000111.6Y1173 T1178 I1181 W1221 I1233 Q1236Y1173-L1176 HydrophobicContact CD1-CD2 3.94Å; Y1173-L1176 HydrophobicContact CG-CD1 4.26Å; Y1173-L1176 HydrophobicContact CG-CD2 4.31Å; L1176-T1178 PolarHBondContact O-N 3.03Å; L1176-T1178 VanDerWaalsContact O-N 3.11Å; L1176-I1181 HydrophobicContact CB-CD1 3.75Å; L1176-I1181 HydrophobicContact CD1-CD1 3.81Å; L1176-I1181 HydrophobicContact CD2-CD1 4.07Å; L1176-I1181 HydrophobicContact CG-CD1 4.1Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.85Å; L1176-W1221 HydrophobicContact CB-CH2 4.28Å; L1176-W1221 HydrophobicContact CB-CZ3 3.89Å; L1176-W1221 HydrophobicContact CD1-CH2 3.88Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.8Å; L1176-W1221 HydrophobicContact CG-CH2 4.17Å; L1176-W1221 HydrophobicContact CG-CZ3 4.18Å; L1176-W1221 WeakPolarHBondContact O-CB 3.33Å; L1176-I1233 HydrophobicContact CD1-CG1 4.35Å; L1176-Q1236 HydrophobicContact CD1-CB 4.31Å; L1176-Q1236 HydrophobicContact CD2-CG 4.37Å
1177C92.7Very high88.5Confident71 Ų7169.3 Ų69.348%0.4834%0.342SS..  trans-78.993.5174.6-172.20000111.3E1179 E1180 I1181C1177-E1179 VanDerWaalsContact C-N 3.32Å; C1177-E1179 PolarHBondContact O-N 2.81Å; C1177-E1180 HydrophobicContact CB-CB 3.88Å; C1177-E1180 PolarHBondContact O-N 3.45Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; C1177-I1181 VanDerWaalsContact O-CG1 3.3Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.39Å; C1177-I1181 PolarHBondContact O-N 3.41Å
1178T95.3Very high89.3Confident10 Ų1065.4 Ų65.46%0.06133%0.325CS..Hα-helixtrans-60-34.7-173.349.30000114.4L1176 A1182 K1219 P1220 W1221 L1224 F1232L1176-T1178 PolarHBondContact O-N 3.03Å; L1176-T1178 VanDerWaalsContact O-N 3.11Å; T1178-A1182 VanDerWaalsContact O-CB 3.29Å; T1178-A1182 WeakPolarHBondContact O-CB 3.48Å; T1178-A1182 PolarHBondContact O-N 2.94Å; T1178-A1182 VanDerWaalsContact O-N 3.15Å; T1178-K1219 WeakPolarHBondContact CB-O 3.44Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.14Å; T1178-K1219 PolarHBondContact OG1-O 3.33Å; T1178-K1219 VanDerWaalsContact OG1-O 3.07Å; T1178-P1220 WeakPolarHBondContact OG1-CA 3.36Å; T1178-W1221 HydrophobicContact CG2-CB 4.02Å; T1178-W1221 HydrophobicContact CG2-CE3 3.94Å; T1178-L1224 HydrophobicContact CG2-CD1 3.75Å; T1178-F1232 HydrophobicContact CG2-CD1 3.9Å; T1178-F1232 HydrophobicContact CG2-CD2 4.2Å; T1178-F1232 HydrophobicContact CG2-CE1 3.97Å; T1178-F1232 HydrophobicContact CG2-CE2 4.24Å; T1178-F1232 HydrophobicContact CG2-CG 4.03Å; T1178-F1232 HydrophobicContact CG2-CZ 4.14Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.48Å
1179E95.4Very high90.1Very high95 Ų9560.3 Ų60.344%0.44430%0.301SS..Hα-helixtrans-70.6-45.7175.5-17562.9-123.600111.4C1177 I1181 A1182 H1183 R1186 P1218C1177-E1179 VanDerWaalsContact C-N 3.32Å; C1177-E1179 PolarHBondContact O-N 2.81Å; E1179-I1181 PolarHBondContact O-N 2.93Å; E1179-A1182 CarbonylContact O-C 3.59Å; E1179-A1182 PolarHBondContact O-N 3.15Å; E1179-H1183 WeakPolarHBondContact O-CB 3.26Å; E1179-H1183 PolarHBondContact O-N 2.77Å; E1179-R1186 IonicContact OE1-CZ 2.64Å; E1179-R1186 IonicContact OE1-NH2 3.17Å; E1179-R1186 PolarHBondContact OE1-NH2 3.47Å; E1179-P1218 HydrophobicContact CB-CG 4.31Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.45Å
1180E95.5Very high90.8Very high87 Ų8763.2 Ų63.241%0.40732%0.324SS..Hα-helixtrans-61.7-44.6179.4-174.6-175.8-175.600111.7C1177 H1183 R1184C1177-E1180 HydrophobicContact CB-CB 3.88Å; C1177-E1180 PolarHBondContact O-N 3.45Å; C1177-E1180 VanDerWaalsContact SG-CB 3.58Å; E1180-H1183 PolarHBondContact O-N 3.09Å; E1180-R1184 HydrophobicContact CG-CG 4.28Å; E1180-R1184 WeakPolarHBondContact O-CB 3.09Å; E1180-R1184 WeakPolarHBondContact O-CG 3.43Å; E1180-R1184 PolarHBondContact O-N 3.19Å; E1180-R1184 IonicContact OE1-CZ 3.49Å; E1180-R1184 IonicContact OE1-NE 2.67Å; E1180-R1184 PolarHBondContact OE1-NE 2.95Å; E1180-R1184 IonicContact OE1-NH2 3.55Å; E1180-R1184 PolarHBondContact OE1-NH2 3.37Å
1181I95.8Very high91.2Very high4 Ų467.7 Ų67.72%0.02134%0.344CS..Hα-helixtrans-63.7-44.4177.8-59.1171.6000109.9L1176 C1177 E1179 H1183 R1184 T1185 M1235 Q1236 L1239L1176-I1181 HydrophobicContact CB-CD1 3.75Å; L1176-I1181 HydrophobicContact CD1-CD1 3.81Å; L1176-I1181 HydrophobicContact CD2-CD1 4.07Å; L1176-I1181 HydrophobicContact CG-CD1 4.1Å; C1177-I1181 VanDerWaalsContact O-CG1 3.3Å; C1177-I1181 WeakPolarHBondContact O-CG1 3.39Å; C1177-I1181 PolarHBondContact O-N 3.41Å; E1179-I1181 PolarHBondContact O-N 2.93Å; I1181-H1183 VanDerWaalsContact C-N 3.27Å; I1181-H1183 PolarHBondContact O-N 2.9Å; I1181-R1184 PolarHBondContact O-N 2.93Å; I1181-T1185 WeakPolarHBondContact O-CB 3.45Å; I1181-T1185 PolarHBondContact O-N 3.15Å; I1181-T1185 PolarHBondContact O-OG1 3.03Å; I1181-M1235 HydrophobicContact CB-CE 4.31Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.63Å; I1181-M1235 HydrophobicContact CG2-CG 3.7Å; I1181-M1235 HydrophobicContact CG2-SD 4.37Å; I1181-Q1236 HydrophobicContact CD1-CB 4.49Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.28Å; I1181-L1239 HydrophobicContact CB-CD1 4.44Å; I1181-L1239 HydrophobicContact CG2-CD1 3.81Å
1182A97.1Very high91.8Very high0 Ų067.6 Ų67.60%034%0.337CS..Hα-helixtrans-63.3-32.2175.400000112.7T1178 E1179 R1186 L1215 P1218 M1235T1178-A1182 VanDerWaalsContact O-CB 3.29Å; T1178-A1182 WeakPolarHBondContact O-CB 3.48Å; T1178-A1182 PolarHBondContact O-N 2.94Å; T1178-A1182 VanDerWaalsContact O-N 3.15Å; E1179-A1182 CarbonylContact O-C 3.59Å; E1179-A1182 PolarHBondContact O-N 3.15Å; A1182-R1186 WeakPolarHBondContact O-CB 3.44Å; A1182-R1186 VanDerWaalsContact O-CG 3.26Å; A1182-R1186 WeakPolarHBondContact O-CG 3.38Å; A1182-R1186 PolarHBondContact O-N 3.28Å; A1182-R1186 PolarHBondContact O-NE 2.81Å; A1182-L1215 HydrophobicContact CB-CD2 4.09Å; A1182-P1218 HydrophobicContact CB-CB 3.98Å; A1182-P1218 HydrophobicContact CB-CG 3.84Å; A1182-M1235 HydrophobicContact CB-CE 4.34Å
1183H96.4Very high92.3Very high114 Ų11464.2 Ų64.253%0.52833%0.332SS..Hα-helixtrans-72.5-51.7174.2-173.1-96.8000112E1179 E1180 I1181 T1185 R1186 S1187E1179-H1183 WeakPolarHBondContact O-CB 3.26Å; E1179-H1183 PolarHBondContact O-N 2.77Å; E1180-H1183 PolarHBondContact O-N 3.09Å; I1181-H1183 VanDerWaalsContact C-N 3.27Å; I1181-H1183 PolarHBondContact O-N 2.9Å; H1183-T1185 VanDerWaalsContact C-N 3.3Å; H1183-T1185 PolarHBondContact O-N 2.91Å; H1183-R1186 WeakPolarHBondContact O-CB 3.5Å; H1183-R1186 PolarHBondContact O-N 3.08Å; H1183-R1186 VanDerWaalsContact O-N 3.15Å; H1183-S1187 PolarHBondContact O-N 3.16Å
1184R95.7Very high92.7Very high127 Ų12763.4 Ų63.448%0.47933%0.329SS..Hα-helixtrans-55-43.8175.5-72.6177.4179.5-136.79.2111.3E1180 I1181 S1187 I1188 L1239E1180-R1184 HydrophobicContact CG-CG 4.28Å; E1180-R1184 WeakPolarHBondContact O-CB 3.09Å; E1180-R1184 WeakPolarHBondContact O-CG 3.43Å; E1180-R1184 PolarHBondContact O-N 3.19Å; E1180-R1184 IonicContact OE1-CZ 3.49Å; E1180-R1184 IonicContact OE1-NE 2.67Å; E1180-R1184 PolarHBondContact OE1-NE 2.95Å; E1180-R1184 IonicContact OE1-NH2 3.55Å; E1180-R1184 PolarHBondContact OE1-NH2 3.37Å; I1181-R1184 PolarHBondContact O-N 2.93Å; R1184-S1187 WeakPolarHBondContact O-CB 3.45Å; R1184-S1187 PolarHBondContact O-N 3.07Å; R1184-I1188 PolarHBondContact O-N 3.01Å; R1184-L1239 HydrophobicContact CB-CD1 3.63Å; R1184-L1239 HydrophobicContact CB-CD2 4.01Å; R1184-L1239 HydrophobicContact CB-CG 4.49Å; R1184-L1239 HydrophobicContact CG-CD1 4.47Å
1185T95.9Very high93.4Very high0 Ų062.1 Ų62.10%032%0.32CS..Hα-helixtrans-71.2-38.1176.8-62.80000112.8I1181 H1183 S1187 I1188 L1189 F1199 L1215 M1235 F1238 L1239I1181-T1185 WeakPolarHBondContact O-CB 3.45Å; I1181-T1185 PolarHBondContact O-N 3.15Å; I1181-T1185 PolarHBondContact O-OG1 3.03Å; H1183-T1185 VanDerWaalsContact C-N 3.3Å; H1183-T1185 PolarHBondContact O-N 2.91Å; T1185-S1187 VanDerWaalsContact C-N 3.25Å; T1185-S1187 PolarHBondContact O-N 3.36Å; T1185-I1188 PolarHBondContact O-N 2.99Å; T1185-L1189 HydrophobicContact CG2-CD1 3.83Å; T1185-L1189 HydrophobicContact CG2-CG 4.02Å; T1185-L1189 WeakPolarHBondContact O-CB 3.43Å; T1185-L1189 WeakPolarHBondContact O-CG 3.46Å; T1185-L1189 PolarHBondContact O-N 3.19Å; T1185-F1199 HydrophobicContact CG2-CE1 3.81Å; T1185-F1199 HydrophobicContact CG2-CE2 4.14Å; T1185-F1199 HydrophobicContact CG2-CZ 3.61Å; T1185-L1215 HydrophobicContact CG2-CD2 4.24Å; T1185-M1235 HydrophobicContact CG2-CG 3.9Å; T1185-M1235 HydrophobicContact CG2-SD 3.73Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.48Å; T1185-F1238 HydrophobicContact CG2-CD1 4.48Å; T1185-F1238 HydrophobicContact CG2-CE1 4.41Å; T1185-L1239 WeakPolarHBondContact OG1-CD2 3.48Å
1186R95.5Very high93.8Very high84 Ų8459.1 Ų59.132%0.31731%0.306SS..Hα-helixtrans-56.2-42.6169.1-83.4176-72.5173.8-8.9111.4E1179 A1182 H1183 S1190 L1215E1179-R1186 IonicContact OE1-CZ 2.64Å; E1179-R1186 IonicContact OE1-NH2 3.17Å; E1179-R1186 PolarHBondContact OE1-NH2 3.47Å; A1182-R1186 WeakPolarHBondContact O-CB 3.44Å; A1182-R1186 VanDerWaalsContact O-CG 3.26Å; A1182-R1186 WeakPolarHBondContact O-CG 3.38Å; A1182-R1186 PolarHBondContact O-N 3.28Å; A1182-R1186 PolarHBondContact O-NE 2.81Å; H1183-R1186 WeakPolarHBondContact O-CB 3.5Å; H1183-R1186 PolarHBondContact O-N 3.08Å; H1183-R1186 VanDerWaalsContact O-N 3.15Å; R1186-S1190 WeakPolarHBondContact O-CB 3.3Å; R1186-S1190 PolarHBondContact O-N 3.09Å; R1186-L1215 WeakPolarHBondContact CD-O 3.22Å; R1186-L1215 HydrophobicContact CG-CB 4.05Å; R1186-L1215 HydrophobicContact CG-CD1 4.29Å; R1186-L1215 HydrophobicContact CG-CD2 4.49Å; R1186-L1215 PolarHBondContact NE-O 3.3Å; R1186-L1215 VanDerWaalsContact NE-O 3.13Å
1187S94.3Very high94Very high63 Ų6366.3 Ų66.344%0.44133%0.331SS..Hα-helixtrans-62-53.7177.5-174.70000112H1183 R1184 T1185 L1189 S1190 Q1191H1183-S1187 PolarHBondContact O-N 3.16Å; R1184-S1187 WeakPolarHBondContact O-CB 3.45Å; R1184-S1187 PolarHBondContact O-N 3.07Å; T1185-S1187 VanDerWaalsContact C-N 3.25Å; T1185-S1187 PolarHBondContact O-N 3.36Å; S1187-L1189 PolarHBondContact O-N 3.37Å; S1187-S1190 WeakPolarHBondContact O-CB 3.33Å; S1187-S1190 PolarHBondContact O-N 3.28Å; S1187-S1190 VanDerWaalsContact O-N 3.12Å; S1187-Q1191 WeakPolarHBondContact O-CB 3.5Å; S1187-Q1191 PolarHBondContact O-N 3.06Å
1188I92.5Very high94Very high30 Ų3065 Ų6515%0.15432%0.319CS..Hα-helixtrans-61.5-43.3178.6-68-171.2000112R1184 T1185 S1190 Q1191 Y1192 F1238 L1239 I1245R1184-I1188 PolarHBondContact O-N 3.01Å; T1185-I1188 PolarHBondContact O-N 2.99Å; I1188-S1190 VanDerWaalsContact C-N 3.25Å; I1188-S1190 PolarHBondContact O-N 3.09Å; I1188-Q1191 PolarHBondContact O-N 3.13Å; I1188-Y1192 HydrophobicContact CG2-CD2 3.83Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.29Å; I1188-Y1192 PolarHBondContact O-N 2.8Å; I1188-F1238 HydrophobicContact CB-CE1 4.49Å; I1188-F1238 HydrophobicContact CG2-CE1 3.89Å; I1188-F1238 HydrophobicContact CG2-CZ 3.86Å; I1188-L1239 HydrophobicContact CD1-CD2 3.64Å; I1188-L1239 HydrophobicContact CG1-CD2 4.39Å; I1188-I1245 HydrophobicContact CD1-CD1 4.37Å; I1188-I1245 HydrophobicContact CG2-CD1 3.79Å; I1188-I1245 HydrophobicContact CG2-CG1 4.18Å
1189L93.5Very high93.9Very high10 Ų1064.5 Ų64.55%0.05232%0.316CS..Hα-helixtrans-62.8-33.1177.1-67.2179.4000112.2T1185 S1187 S1193 I1194 Q1196 F1199 L1215T1185-L1189 HydrophobicContact CG2-CD1 3.83Å; T1185-L1189 HydrophobicContact CG2-CG 4.02Å; T1185-L1189 WeakPolarHBondContact O-CB 3.43Å; T1185-L1189 WeakPolarHBondContact O-CG 3.46Å; T1185-L1189 PolarHBondContact O-N 3.19Å; S1187-L1189 PolarHBondContact O-N 3.37Å; L1189-S1193 CarbonylContact O-C 2.79Å; L1189-S1193 WeakPolarHBondContact O-CA 3.34Å; L1189-S1193 PolarHBondContact O-N 2.74Å; L1189-I1194 HydrophobicContact CD2-CB 3.75Å; L1189-I1194 HydrophobicContact CD2-CG2 3.6Å; L1189-I1194 PolarHBondContact O-N 2.9Å; L1189-Q1196 HydrophobicContact CD1-CG 4.31Å; L1189-F1199 HydrophobicContact CD1-CB 4.24Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CE1 4.28Å; L1189-F1199 HydrophobicContact CD1-CG 3.99Å; L1189-F1199 HydrophobicContact CD2-CB 3.66Å; L1189-F1199 HydrophobicContact CD2-CD1 4.41Å; L1189-F1199 HydrophobicContact CD2-CD2 4.01Å; L1189-F1199 HydrophobicContact CD2-CG 3.78Å; L1189-F1199 HydrophobicContact CG-CG 4.48Å; L1189-L1215 HydrophobicContact CD1-CD1 4.01Å
1190S92.6Very high93.9Very high93 Ų9360 Ų6065%0.6530%0.295SS*.Hα-helixtrans-74.4-44.2173.6-163.50000112.3R1186 S1187 I1188 Y1192 S1193R1186-S1190 WeakPolarHBondContact O-CB 3.3Å; R1186-S1190 PolarHBondContact O-N 3.09Å; S1187-S1190 WeakPolarHBondContact O-CB 3.33Å; S1187-S1190 PolarHBondContact O-N 3.28Å; S1187-S1190 VanDerWaalsContact O-N 3.12Å; I1188-S1190 VanDerWaalsContact C-N 3.25Å; I1188-S1190 PolarHBondContact O-N 3.09Å; S1190-Y1192 PolarHBondContact O-N 2.86Å; S1190-S1193 PolarHBondContact O-N 2.67Å
1191Q91.9Very high93.6Very high130 Ų13058 Ų5861%0.60729%0.293SS*.Hα-helixtrans-61.7-44.7-176.9-177.1-1798.900112.2S1187 I1188S1187-Q1191 WeakPolarHBondContact O-CB 3.5Å; S1187-Q1191 PolarHBondContact O-N 3.06Å; I1188-Q1191 PolarHBondContact O-N 3.13Å
1192Y90.9Very high93.3Very high97 Ų9761 Ų6138%0.3831%0.305SS..THydrogen-bonded Turntrans-95.310.1179.5-63.8-86.6000113I1188 S1190 I1194 I1245 L1249I1188-Y1192 HydrophobicContact CG2-CD2 3.83Å; I1188-Y1192 HydrophobicContact CG2-CE2 4.19Å; I1188-Y1192 WeakPolarHBondContact O-CD2 3.29Å; I1188-Y1192 PolarHBondContact O-N 2.8Å; S1190-Y1192 PolarHBondContact O-N 2.86Å; Y1192-I1194 PolarHBondContact O-N 2.88Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.76Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.31Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.83Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.1Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.6Å; Y1192-L1249 HydrophobicContact CD1-CD1 4.18Å
1193S91.1Very high93Very high74 Ų7461.4 Ų61.452%0.51731%0.307SS..THydrogen-bonded Turntrans5322-176.4-64.70000115.3L1189 S1190 S1195L1189-S1193 CarbonylContact O-C 2.79Å; L1189-S1193 WeakPolarHBondContact O-CA 3.34Å; L1189-S1193 PolarHBondContact O-N 2.74Å; S1190-S1193 PolarHBondContact O-N 2.67Å; S1193-S1195 PolarHBondContact O-N 2.9Å
1194I91.5Very high92.8Very high7 Ų756.4 Ų56.44%0.03628%0.284CS..  trans-73.9111.5-178.3-62.4175.2000109L1189 Y1192 Q1196 L1198 F1199 I1245 L1248 L1249L1189-I1194 HydrophobicContact CD2-CB 3.75Å; L1189-I1194 HydrophobicContact CD2-CG2 3.6Å; L1189-I1194 PolarHBondContact O-N 2.9Å; Y1192-I1194 PolarHBondContact O-N 2.88Å; I1194-Q1196 PolarHBondContact O-N 3.03Å; I1194-L1198 HydrophobicContact CG2-CB 4.36Å; I1194-L1198 HydrophobicContact CG2-CD2 4.29Å; I1194-F1199 HydrophobicContact CG2-CB 4.36Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; I1194-L1248 HydrophobicContact CD1-CB 4.04Å; I1194-L1248 HydrophobicContact CD1-CD1 4.28Å; I1194-L1248 HydrophobicContact CG2-CB 4.48Å; I1194-L1248 HydrophobicContact CG2-CD1 4.13Å; I1194-L1249 HydrophobicContact CD1-CD2 4.31Å; I1194-L1249 HydrophobicContact CD1-CG 4.28Å; I1194-L1249 HydrophobicContact CG1-CD2 3.94Å; I1194-L1249 HydrophobicContact CG1-CG 4.44Å
1195S93.3Very high92.5Very high65 Ų6551.3 Ų51.346%0.45527%0.271SS..  trans-60.8139.3179.577.90000112.1S1193 R1197 L1198 F1199S1193-S1195 PolarHBondContact O-N 2.9Å; S1195-R1197 PolarHBondContact O-N 3.14Å; S1195-L1198 WeakPolarHBondContact O-CB 3.35Å; S1195-L1198 PolarHBondContact O-N 2.95Å; S1195-L1198 PolarHBondContact OG-N 2.85Å; S1195-F1199 PolarHBondContact O-N 2.83Å
1196Q94.2Very high92.4Very high55 Ų5554.2 Ų54.226%0.25729%0.286SS..Hα-helixtrans-51.9-23.6172.3-70.5178-9.200113.5L1189 I1194 G1200 Q1208 V1211 L1215L1189-Q1196 HydrophobicContact CD1-CG 4.31Å; I1194-Q1196 PolarHBondContact O-N 3.03Å; Q1196-G1200 WeakPolarHBondContact O-CA 3.44Å; Q1196-G1200 PolarHBondContact O-N 3.35Å; Q1196-Q1208 HydrophobicContact CB-CG 4.12Å; Q1196-V1211 HydrophobicContact CB-CG1 3.95Å; Q1196-V1211 HydrophobicContact CG-CG1 4.16Å; Q1196-L1215 HydrophobicContact CG-CD1 4.27Å
1197R93.7Very high92.3Very high177 Ų17753.4 Ų53.467%0.66829%0.293SS*.Hα-helixtrans-72.3-37175.7-176.4176.4175.2-174.3-5112.8S1195 A1201 Q1208S1195-R1197 PolarHBondContact O-N 3.14Å; R1197-A1201 VanDerWaalsContact O-CB 3.29Å; R1197-A1201 WeakPolarHBondContact O-CB 3.42Å; R1197-A1201 PolarHBondContact O-N 3.27Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 4.07Å; R1197-Q1208 HydrophobicContact CG-CB 4.32Å
1198L91.8Very high92.2Very high42 Ų4254.8 Ų54.822%0.2229%0.293CS..Hα-helixtrans-71.7-55.3177.8-157.572.2000109.3I1194 S1195 G1200 A1201 Y1202 L1248I1194-L1198 HydrophobicContact CG2-CB 4.36Å; I1194-L1198 HydrophobicContact CG2-CD2 4.29Å; S1195-L1198 WeakPolarHBondContact O-CB 3.35Å; S1195-L1198 PolarHBondContact O-N 2.95Å; S1195-L1198 PolarHBondContact OG-N 2.85Å; L1198-G1200 VanDerWaalsContact C-N 3.32Å; L1198-G1200 PolarHBondContact O-N 2.99Å; L1198-A1201 PolarHBondContact O-N 3.37Å; L1198-A1201 VanDerWaalsContact O-N 3.07Å; L1198-Y1202 HydrophobicContact CD1-CD2 3.99Å; L1198-Y1202 HydrophobicContact CD1-CE2 3.67Å; L1198-Y1202 HydrophobicContact CG-CD2 4.02Å; L1198-Y1202 HydrophobicContact CG-CE2 4.19Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.35Å; L1198-Y1202 PolarHBondContact O-N 2.86Å; L1198-L1248 VanDerWaalsContact CD2-O 3.27Å; L1198-L1248 WeakPolarHBondContact CD2-O 3.34Å; L1198-L1248 HydrophobicContact CG-CD2 4.39Å
1199F93.8Very high92.3Very high0 Ų054.9 Ų54.90%030%0.301CS..Hα-helixtrans-53.6-45.3174174.6-107.8000112.8T1185 L1189 I1194 S1195 A1201 I1203 L1204 V1211 M1235 F1238 L1248T1185-F1199 HydrophobicContact CG2-CE1 3.81Å; T1185-F1199 HydrophobicContact CG2-CE2 4.14Å; T1185-F1199 HydrophobicContact CG2-CZ 3.61Å; L1189-F1199 HydrophobicContact CD1-CB 4.24Å; L1189-F1199 HydrophobicContact CD1-CD1 3.76Å; L1189-F1199 HydrophobicContact CD1-CE1 4.28Å; L1189-F1199 HydrophobicContact CD1-CG 3.99Å; L1189-F1199 HydrophobicContact CD2-CB 3.66Å; L1189-F1199 HydrophobicContact CD2-CD1 4.41Å; L1189-F1199 HydrophobicContact CD2-CD2 4.01Å; L1189-F1199 HydrophobicContact CD2-CG 3.78Å; L1189-F1199 HydrophobicContact CG-CG 4.48Å; I1194-F1199 HydrophobicContact CG2-CB 4.36Å; S1195-F1199 PolarHBondContact O-N 2.83Å; F1199-A1201 PolarHBondContact O-N 3.09Å; F1199-I1203 HydrophobicContact CD2-CB 3.89Å; F1199-I1203 HydrophobicContact CD2-CG1 3.61Å; F1199-I1203 HydrophobicContact CD2-CG2 4.4Å; F1199-I1203 HydrophobicContact CE2-CB 3.81Å; F1199-I1203 HydrophobicContact CE2-CG1 3.86Å; F1199-I1203 HydrophobicContact CE2-CG2 3.82Å; F1199-I1203 HydrophobicContact CZ-CG2 4.4Å; F1199-I1203 WeakPolarHBondContact O-CB 3.45Å; F1199-I1203 PolarHBondContact O-N 3.37Å; F1199-L1204 HydrophobicContact CD1-CD1 4.18Å; F1199-L1204 HydrophobicContact CD1-CG 4.44Å; F1199-L1204 HydrophobicContact CE1-CD1 3.41Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.41Å; F1199-L1204 HydrophobicContact CE1-CG 3.81Å; F1199-L1204 HydrophobicContact CZ-CD1 3.89Å; F1199-L1204 HydrophobicContact CZ-CD2 4.18Å; F1199-L1204 HydrophobicContact CZ-CG 3.89Å; F1199-L1204 PolarHBondContact O-N 3.45Å; F1199-V1211 HydrophobicContact CD1-CG1 4.05Å; F1199-V1211 HydrophobicContact CE1-CG1 4.38Å; F1199-M1235 HydrophobicContact CE1-SD 4.34Å; F1199-M1235 HydrophobicContact CZ-CG 3.99Å; F1199-M1235 HydrophobicContact CZ-SD 4.16Å; F1199-F1238 HydrophobicContact CD2-CD1 4.37Å; F1199-F1238 HydrophobicContact CD2-CE1 4.33Å; F1199-F1238 HydrophobicContact CD2-CG 4.47Å; F1199-F1238 HydrophobicContact CD2-CZ 4.41Å; F1199-F1238 HydrophobicContact CE2-CB 4.27Å; F1199-F1238 AromaticContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD2 4.23Å; F1199-F1238 AromaticContact CE2-CE1 3.99Å; F1199-F1238 HydrophobicContact CE2-CE1 3.99Å; F1199-F1238 AromaticContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CZ 4.44Å; F1199-F1238 HydrophobicContact CZ-CD1 4.41Å; F1199-L1248 HydrophobicContact CD2-CD1 4.26Å
1200G94.5Very high92.4Very high0 Ų056.8 Ų56.80%032%0.315CS..Iπ-helixtrans-61.7-41.7175.600000113.6Q1196 L1198 G1205 L1206Q1196-G1200 WeakPolarHBondContact O-CA 3.44Å; Q1196-G1200 PolarHBondContact O-N 3.35Å; L1198-G1200 VanDerWaalsContact C-N 3.32Å; L1198-G1200 PolarHBondContact O-N 2.99Å; G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.48Å; G1200-G1205 PolarHBondContact O-N 3.31Å; G1200-L1206 CarbonylContact C-O 2.92Å; G1200-L1206 VanDerWaalsContact C-O 3.29Å; G1200-L1206 PolarHBondContact O-N 3.37Å
1201A90.5Very high92.6Very high45 Ų4552.4 Ų52.437%0.37228%0.284SS..Iπ-helixtrans-71.2-41.5-17900000113.3R1197 L1198 F1199R1197-A1201 VanDerWaalsContact O-CB 3.29Å; R1197-A1201 WeakPolarHBondContact O-CB 3.42Å; R1197-A1201 PolarHBondContact O-N 3.27Å; R1197-A1201 VanDerWaalsContact O-N 3.12Å; L1198-A1201 PolarHBondContact O-N 3.37Å; L1198-A1201 VanDerWaalsContact O-N 3.07Å; F1199-A1201 PolarHBondContact O-N 3.09Å
1202Y88.5Confident92.8Very high69 Ų6948.2 Ų48.227%0.27127%0.27SS..Iπ-helixtrans-97.8-35.3-170-73.1-72.6000114.8V1160 L1198 L1248V1160-Y1202 HydrophobicContact CB-CD1 4.03Å; V1160-Y1202 HydrophobicContact CB-CE1 4.31Å; V1160-Y1202 HydrophobicContact CG1-CD1 4.44Å; V1160-Y1202 CarbonylContact O-C 3.23Å; V1160-Y1202 WeakPolarHBondContact O-CA 3.33Å; L1198-Y1202 HydrophobicContact CD1-CD2 3.99Å; L1198-Y1202 HydrophobicContact CD1-CE2 3.67Å; L1198-Y1202 HydrophobicContact CG-CD2 4.02Å; L1198-Y1202 HydrophobicContact CG-CE2 4.19Å; L1198-Y1202 WeakPolarHBondContact O-CD2 3.35Å; L1198-Y1202 PolarHBondContact O-N 2.86Å; Y1202-L1248 HydrophobicContact CD2-CD2 4.17Å; Y1202-L1248 HydrophobicContact CG-CD2 4.25Å
1203I90.3Very high93Very high7 Ų749 Ų494%0.03628%0.28CS..Iπ-helixtrans-94.5-55.8-178.7-52.5-55.7000110.8L1162 F1199 R1234 F1238 L1248L1162-I1203 HydrophobicContact CD1-CB 4.41Å; L1162-I1203 HydrophobicContact CD1-CD1 4.16Å; L1162-I1203 HydrophobicContact CD1-CG2 3.86Å; F1199-I1203 HydrophobicContact CD2-CB 3.89Å; F1199-I1203 HydrophobicContact CD2-CG1 3.61Å; F1199-I1203 HydrophobicContact CD2-CG2 4.4Å; F1199-I1203 HydrophobicContact CE2-CB 3.81Å; F1199-I1203 HydrophobicContact CE2-CG1 3.86Å; F1199-I1203 HydrophobicContact CE2-CG2 3.82Å; F1199-I1203 HydrophobicContact CZ-CG2 4.4Å; F1199-I1203 WeakPolarHBondContact O-CB 3.45Å; F1199-I1203 PolarHBondContact O-N 3.37Å; I1203-R1234 HydrophobicContact CG2-CB 4.47Å; I1203-R1234 PolarHBondContact O-NH1 3.34Å; I1203-F1238 HydrophobicContact CD1-CD2 4.26Å; I1203-F1238 HydrophobicContact CG1-CD2 4.2Å; I1203-F1238 HydrophobicContact CG2-CB 4.04Å; I1203-L1248 HydrophobicContact CD1-CD1 4.14Å; I1203-L1248 HydrophobicContact CD1-CD2 4.29Å; I1203-L1248 HydrophobicContact CD1-CG 4.27Å; I1203-L1248 HydrophobicContact CG1-CD1 3.9Å; I1203-L1248 HydrophobicContact CG1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CG 4.44Å
1204L92.1Very high93.3Very high10 Ų1046.9 Ų46.95%0.05226%0.263CS..Iπ-helixtrans-91.3-18.7-169.8-58-172.7000114.6F1199 L1206 V1211 L1214 P1231 R1234 M1235F1199-L1204 HydrophobicContact CD1-CD1 4.18Å; F1199-L1204 HydrophobicContact CD1-CG 4.44Å; F1199-L1204 HydrophobicContact CE1-CD1 3.41Å; F1199-L1204 VanDerWaalsContact CE1-CD1 3.41Å; F1199-L1204 HydrophobicContact CE1-CG 3.81Å; F1199-L1204 HydrophobicContact CZ-CD1 3.89Å; F1199-L1204 HydrophobicContact CZ-CD2 4.18Å; F1199-L1204 HydrophobicContact CZ-CG 3.89Å; F1199-L1204 PolarHBondContact O-N 3.45Å; L1204-L1206 HydrophobicContact CB-CB 4.18Å; L1204-L1206 HydrophobicContact CB-CD1 4.07Å; L1204-L1206 HydrophobicContact CB-CG 3.94Å; L1204-L1206 HydrophobicContact CD1-CD1 4.23Å; L1204-L1206 PolarHBondContact O-N 3.17Å; L1204-V1211 HydrophobicContact CD1-CG2 4.14Å; L1204-L1214 HydrophobicContact CD1-CD2 4.06Å; L1204-P1231 VanDerWaalsContact CD2-O 3.29Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.3Å; L1204-R1234 HydrophobicContact CD2-CB 3.6Å; L1204-M1235 HydrophobicContact CD2-CB 4.43Å
1205G90.6Very high93.5Very high20 Ų2046.6 Ų46.621%0.20626%0.262CS..  trans6716.4-171.600000114.9G1200G1200-G1205 CarbonylContact O-C 3.57Å; G1200-G1205 WeakPolarHBondContact O-CA 3.48Å; G1200-G1205 PolarHBondContact O-N 3.31Å
1206L93.3Very high93.6Very high60 Ų6046.6 Ų46.631%0.31427%0.265SS..  trans-101.7161.9-173.8-66.4-177.3000112.9G1200 L1204 V1211 L1214 P1231G1200-L1206 CarbonylContact C-O 2.92Å; G1200-L1206 VanDerWaalsContact C-O 3.29Å; G1200-L1206 PolarHBondContact O-N 3.37Å; L1204-L1206 HydrophobicContact CB-CB 4.18Å; L1204-L1206 HydrophobicContact CB-CD1 4.07Å; L1204-L1206 HydrophobicContact CB-CG 3.94Å; L1204-L1206 HydrophobicContact CD1-CD1 4.23Å; L1204-L1206 PolarHBondContact O-N 3.17Å; L1206-V1211 HydrophobicContact CB-CG2 3.79Å; L1206-V1211 HydrophobicContact CD1-CG2 4.47Å; L1206-L1214 HydrophobicContact CD1-CD2 4.16Å; L1206-P1231 HydrophobicContact CD1-CB 4.31Å; L1206-P1231 HydrophobicContact CD1-CG 4.31Å
1207S93.6Very high93.6Very high67 Ų6754.3 Ų54.347%0.46929%0.292SS..  trans-76.3152.8171.887.80000111.2G1209 S1210 V1211S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 3.44Å; S1207-S1210 WeakPolarHBondContact O-CA 3.41Å; S1207-S1210 WeakPolarHBondContact O-CB 3.35Å; S1207-S1210 PolarHBondContact O-N 3.22Å; S1207-S1210 PolarHBondContact OG-N 2.97Å; S1207-S1210 PolarHBondContact OG-OG 3.33Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.46Å; S1207-V1211 PolarHBondContact O-N 3.48Å
1208Q92.1Very high93.7Very high93 Ų9346.5 Ų46.544%0.43526%0.264SS..Hα-helixtrans-56.8-37.3178.5178.9-84.2-40.800112.8Q1196 R1197 V1211 S1212Q1196-Q1208 HydrophobicContact CB-CG 4.12Å; R1197-Q1208 HydrophobicContact CB-CB 3.94Å; R1197-Q1208 HydrophobicContact CB-CG 4.07Å; R1197-Q1208 HydrophobicContact CG-CB 4.32Å; Q1208-V1211 PolarHBondContact O-N 3.11Å; Q1208-S1212 WeakPolarHBondContact O-CB 3.03Å; Q1208-S1212 PolarHBondContact O-N 3.06Å
1209G94.9Very high93.8Very high31 Ų3151 Ų5132%0.3228%0.282SS..Hα-helixtrans-61.7-49.5173.400000111.4S1207 V1211 S1212 D1213S1207-G1209 VanDerWaalsContact C-N 3.25Å; S1207-G1209 PolarHBondContact O-N 3.44Å; G1209-V1211 VanDerWaalsContact C-N 3.27Å; G1209-V1211 PolarHBondContact O-N 3.07Å; G1209-S1212 WeakPolarHBondContact O-CA 3.49Å; G1209-S1212 WeakPolarHBondContact O-CB 3.25Å; G1209-S1212 PolarHBondContact O-N 3.46Å; G1209-D1213 PolarHBondContact O-N 2.95Å
1210S94.9Very high93.8Very high51 Ų5154.6 Ų54.636%0.35731%0.306SS..Hα-helixtrans-58.8-35.5176.7-47.50000113.3S1207 L1214S1207-S1210 WeakPolarHBondContact O-CA 3.41Å; S1207-S1210 WeakPolarHBondContact O-CB 3.35Å; S1207-S1210 PolarHBondContact O-N 3.22Å; S1207-S1210 PolarHBondContact OG-N 2.97Å; S1207-S1210 PolarHBondContact OG-OG 3.33Å; S1210-L1214 WeakPolarHBondContact O-CB 3.37Å; S1210-L1214 PolarHBondContact O-N 3.06Å
1211V96.4Very high93.8Very high0 Ų055.3 Ų55.30%031%0.308CS..Hα-helixtrans-71.4-41.2173.61740000111.3Q1196 F1199 L1204 L1206 S1207 Q1208 G1209 D1213 L1214 L1215Q1196-V1211 HydrophobicContact CB-CG1 3.95Å; Q1196-V1211 HydrophobicContact CG-CG1 4.16Å; F1199-V1211 HydrophobicContact CD1-CG1 4.05Å; F1199-V1211 HydrophobicContact CE1-CG1 4.38Å; L1204-V1211 HydrophobicContact CD1-CG2 4.14Å; L1206-V1211 HydrophobicContact CB-CG2 3.79Å; L1206-V1211 HydrophobicContact CD1-CG2 4.47Å; S1207-V1211 WeakPolarHBondContact O-CG2 3.46Å; S1207-V1211 PolarHBondContact O-N 3.48Å; Q1208-V1211 PolarHBondContact O-N 3.11Å; G1209-V1211 VanDerWaalsContact C-N 3.27Å; G1209-V1211 PolarHBondContact O-N 3.07Å; V1211-D1213 VanDerWaalsContact C-N 3.35Å; V1211-L1214 PolarHBondContact O-N 3.1Å; V1211-L1215 HydrophobicContact CG1-CD1 3.69Å; V1211-L1215 HydrophobicContact CG1-CG 4.19Å; V1211-L1215 WeakPolarHBondContact O-CB 3.41Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.32Å; V1211-L1215 PolarHBondContact O-N 3.09Å
1212S96.8Very high93.8Very high43 Ų4360.6 Ų60.630%0.30132%0.323SS..Hα-helixtrans-61-43.7175.3-169.30000111.6Q1208 G1209 A1216Q1208-S1212 WeakPolarHBondContact O-CB 3.03Å; Q1208-S1212 PolarHBondContact O-N 3.06Å; G1209-S1212 WeakPolarHBondContact O-CA 3.49Å; G1209-S1212 WeakPolarHBondContact O-CB 3.25Å; G1209-S1212 PolarHBondContact O-N 3.46Å; S1212-A1216 WeakPolarHBondContact O-CB 3.43Å; S1212-A1216 PolarHBondContact O-N 2.96Å
1213D95.6Very high94Very high112 Ų11263.4 Ų63.460%0.59934%0.342SS*.Hα-helixtrans-64.4-45.6176.6-64.8-39.5000111.2G1209 V1211 L1215 A1216 R1217G1209-D1213 PolarHBondContact O-N 2.95Å; V1211-D1213 VanDerWaalsContact C-N 3.35Å; D1213-L1215 PolarHBondContact O-N 2.47Å; D1213-A1216 PolarHBondContact O-N 3.19Å; D1213-R1217 PolarHBondContact O-N 3.14Å
1214L96.1Very high94.1Very high31 Ų3164 Ų6416%0.16235%0.345CS..Hα-helixtrans-61.7-42.2179.2-175.271.5000112.7L1204 L1206 S1210 V1211 P1218 P1231 F1232L1204-L1214 HydrophobicContact CD1-CD2 4.06Å; L1206-L1214 HydrophobicContact CD1-CD2 4.16Å; S1210-L1214 WeakPolarHBondContact O-CB 3.37Å; S1210-L1214 PolarHBondContact O-N 3.06Å; V1211-L1214 PolarHBondContact O-N 3.1Å; L1214-P1218 WeakPolarHBondContact O-CA 3.42Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; L1214-F1232 HydrophobicContact CD1-CD2 4.44Å; L1214-F1232 HydrophobicContact CD1-CE2 3.53Å; L1214-F1232 HydrophobicContact CD1-CZ 3.57Å; L1214-F1232 HydrophobicContact CG-CE2 4.48Å; L1214-F1232 HydrophobicContact CG-CZ 4.19Å
1215L96.5Very high94Very high1 Ų168.6 Ų68.61%0.00537%0.373CS..Hα-helixtrans-80.8-25.1-179-69.8177.6000113.5A1182 T1185 R1186 L1189 Q1196 V1211 D1213 M1235A1182-L1215 HydrophobicContact CB-CD2 4.09Å; T1185-L1215 HydrophobicContact CG2-CD2 4.24Å; R1186-L1215 WeakPolarHBondContact CD-O 3.22Å; R1186-L1215 HydrophobicContact CG-CB 4.05Å; R1186-L1215 HydrophobicContact CG-CD1 4.29Å; R1186-L1215 HydrophobicContact CG-CD2 4.49Å; R1186-L1215 PolarHBondContact NE-O 3.3Å; R1186-L1215 VanDerWaalsContact NE-O 3.13Å; L1189-L1215 HydrophobicContact CD1-CD1 4.01Å; Q1196-L1215 HydrophobicContact CG-CD1 4.27Å; V1211-L1215 HydrophobicContact CG1-CD1 3.69Å; V1211-L1215 HydrophobicContact CG1-CG 4.19Å; V1211-L1215 WeakPolarHBondContact O-CB 3.41Å; V1211-L1215 VanDerWaalsContact O-CG 3.32Å; V1211-L1215 WeakPolarHBondContact O-CG 3.32Å; V1211-L1215 PolarHBondContact O-N 3.09Å; D1213-L1215 PolarHBondContact O-N 2.47Å; L1215-M1235 HydrophobicContact CD2-CE 4.16Å; L1215-M1235 HydrophobicContact CD2-SD 3.61Å
1216A95.3Very high93.8Very high64 Ų6472.7 Ų72.753%0.52939%0.387SS..Hα-helixtrans-90.2-23.1179.500000113.5S1212 D1213S1212-A1216 WeakPolarHBondContact O-CB 3.43Å; S1212-A1216 PolarHBondContact O-N 2.96Å; D1213-A1216 PolarHBondContact O-N 3.19Å
1217R94.2Very high93.4Very high217 Ų21778.2 Ų78.282%0.81941%0.409SS*.SBendtrans-144.562.6-178.9-62-175.5179.8-179.9-2.1111.6D1213 K1219D1213-R1217 PolarHBondContact O-N 3.14Å; R1217-K1219 PolarHBondContact O-N 3.09Å
1218P95Very high93.3Very high13 Ų1376 Ų768%0.08440%0.396CS..PPolyproline II helixtrans-65.3124.6179.429.5-35.1000110.3E1179 A1182 L1214 F1232E1179-P1218 HydrophobicContact CB-CG 4.31Å; E1179-P1218 WeakPolarHBondContact OE2-CG 3.45Å; A1182-P1218 HydrophobicContact CB-CB 3.98Å; A1182-P1218 HydrophobicContact CB-CG 3.84Å; L1214-P1218 WeakPolarHBondContact O-CA 3.42Å; P1218-F1232 HydrophobicContact CB-CE1 3.79Å; P1218-F1232 HydrophobicContact CB-CZ 3.69Å
1219K94.5Very high93.4Very high137 Ų13774.3 Ų74.360%0.59639%0.386SS*.PPolyproline II helixtrans-72.4138.6174.3-69.5-172.9174.5-169.30110.1T1178 R1217 L1224T1178-K1219 WeakPolarHBondContact CB-O 3.44Å; T1178-K1219 WeakPolarHBondContact CG2-O 3.14Å; T1178-K1219 PolarHBondContact OG1-O 3.33Å; T1178-K1219 VanDerWaalsContact OG1-O 3.07Å; R1217-K1219 PolarHBondContact O-N 3.09Å; K1219-L1224 HydrophobicContact CB-CD2 3.85Å; K1219-L1224 HydrophobicContact CB-CG 4.41Å
1220P93.9Very high93.2Very high76 Ų7675.8 Ų75.849%0.49439%0.385SS..PPolyproline II helixtrans-50.4140.2173-28.635.2000112.7T1178 K1222 L1223 L1224T1178-P1220 WeakPolarHBondContact OG1-CA 3.36Å; P1220-K1222 PolarHBondContact O-N 3.36Å; P1220-K1222 VanDerWaalsContact O-N 3.11Å; P1220-L1223 HydrophobicContact CG-CD1 4.43Å; P1220-L1223 WeakPolarHBondContact O-CA 3.43Å; P1220-L1223 WeakPolarHBondContact O-CB 3.49Å; P1220-L1223 PolarHBondContact O-N 3.4Å; P1220-L1224 PolarHBondContact O-N 3.24Å
1221W94Very high93.2Very high15 Ų1574.1 Ų74.16%0.05737%0.373CS..G310 helixtrans-49.8-40.5-175.4-174.9-105.2000114.8Y1173 S1174 L1176 T1178 L1223 L1224 R1229 F1232 I1233Y1173-W1221 WeakPolarHBondContact O-CH2 3.36Å; Y1173-W1221 WeakPolarHBondContact O-CZ2 3.24Å; S1174-W1221 PolarHBondContact O-NE1 2.7Å; L1176-W1221 HydrophobicContact CB-CD2 4.2Å; L1176-W1221 HydrophobicContact CB-CE3 3.85Å; L1176-W1221 HydrophobicContact CB-CH2 4.28Å; L1176-W1221 HydrophobicContact CB-CZ3 3.89Å; L1176-W1221 HydrophobicContact CD1-CH2 3.88Å; L1176-W1221 HydrophobicContact CD1-CZ3 3.8Å; L1176-W1221 HydrophobicContact CG-CH2 4.17Å; L1176-W1221 HydrophobicContact CG-CZ3 4.18Å; L1176-W1221 WeakPolarHBondContact O-CB 3.33Å; T1178-W1221 HydrophobicContact CG2-CB 4.02Å; T1178-W1221 HydrophobicContact CG2-CE3 3.94Å; W1221-L1223 PolarHBondContact O-N 3.23Å; W1221-L1224 HydrophobicContact CE3-CD1 4.08Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 3.45Å; W1221-R1229 HydrophobicContact CD2-CG 4.23Å; W1221-R1229 HydrophobicContact CE3-CB 4.42Å; W1221-R1229 HydrophobicContact CE3-CG 3.99Å; W1221-R1229 HydrophobicContact CH2-CB 3.61Å; W1221-R1229 HydrophobicContact CH2-CG 3.77Å; W1221-R1229 HydrophobicContact CZ2-CB 4.22Å; W1221-R1229 HydrophobicContact CZ2-CG 3.96Å; W1221-R1229 HydrophobicContact CZ3-CB 3.71Å; W1221-R1229 HydrophobicContact CZ3-CG 3.76Å; W1221-F1232 HydrophobicContact CZ3-CB 4.09Å; W1221-I1233 HydrophobicContact CH2-CD1 4.12Å; W1221-I1233 HydrophobicContact CH2-CG1 3.95Å
1222K91.4Very high93.2Very high155 Ų15574.1 Ų74.167%0.67437%0.373SS*.G310 helixtrans-65.8-18.7179.5-63.1178.2-179.9164.30113.1E1175 P1220E1175-K1222 WeakPolarHBondContact OE1-CE 3.33Å; E1175-K1222 IonicContact OE1-NZ 2.75Å; E1175-K1222 PolarHBondContact OE1-NZ 3.33Å; E1175-K1222 IonicContact OE2-NZ 3.98Å; P1220-K1222 PolarHBondContact O-N 3.36Å; P1220-K1222 VanDerWaalsContact O-N 3.11Å
1223L92.3Very high93Very high129 Ų12972.2 Ų72.268%0.67536%0.359SS*.G310 helixtrans-102.56.6175.9-57.9177.8000113.2P1220 W1221P1220-L1223 HydrophobicContact CG-CD1 4.43Å; P1220-L1223 WeakPolarHBondContact O-CA 3.43Å; P1220-L1223 WeakPolarHBondContact O-CB 3.49Å; P1220-L1223 PolarHBondContact O-N 3.4Å; W1221-L1223 PolarHBondContact O-N 3.23Å
1224L91.4Very high92.8Very high20 Ų2067.3 Ų67.311%0.10533%0.332CS..  trans-95.4125.8173.5-66.8176000111.1T1178 K1219 P1220 W1221 R1229 F1232T1178-L1224 HydrophobicContact CG2-CD1 3.75Å; K1219-L1224 HydrophobicContact CB-CD2 3.85Å; K1219-L1224 HydrophobicContact CB-CG 4.41Å; P1220-L1224 PolarHBondContact O-N 3.24Å; W1221-L1224 HydrophobicContact CE3-CD1 4.08Å; W1221-L1224 WeakPolarHBondContact O-CB 3.37Å; W1221-L1224 PolarHBondContact O-N 3.45Å; L1224-R1229 HydrophobicContact CB-CG 3.68Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.33Å; L1224-R1229 PolarHBondContact O-NH2 3.45Å; L1224-F1232 HydrophobicContact CD1-CD2 3.47Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.47Å; L1224-F1232 HydrophobicContact CD1-CE2 3.5Å; L1224-F1232 HydrophobicContact CD1-CG 4.42Å; L1224-F1232 HydrophobicContact CD1-CZ 4.48Å; L1224-F1232 HydrophobicContact CD2-CE2 4.25Å
1225T90.9Very high92.7Very high105 Ų10565.8 Ų65.864%0.64432%0.324SS*.  trans-62.3160.3163.462.90000110.2K1227 G1228 R1229T1225-K1227 PolarHBondContact O-N 2.9Å; T1225-K1227 VanDerWaalsContact O-N 3.15Å; T1225-G1228 CarbonylContact O-C 3.42Å; T1225-G1228 VanDerWaalsContact O-CA 3.28Å; T1225-G1228 WeakPolarHBondContact O-CA 3.09Å; T1225-G1228 PolarHBondContact O-N 3.29Å; T1225-G1228 PolarHBondContact OG1-N 3.39Å; T1225-R1229 PolarHBondContact O-N 3.21Å
1226Q85.7Confident92.5Very high107 Ų10767 Ų6750%0.533%0.33SS..Hα-helixtrans-52.6-41.8-178.8-157.571.1-15.500112.9G1228 R1229 E1230Q1226-G1228 VanDerWaalsContact C-N 3.31Å; Q1226-G1228 PolarHBondContact O-N 2.91Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.31Å; Q1226-R1229 PolarHBondContact O-N 3.22Å; Q1226-E1230 PolarHBondContact O-N 3.21Å
1227K86.1Confident92.2Very high175 Ų17565.3 Ų65.376%0.76131%0.312SS*.Hα-helixtrans-70-22.6174.9-169168.5-174.2168.30114.1T1225T1225-K1227 PolarHBondContact O-N 2.9Å; T1225-K1227 VanDerWaalsContact O-N 3.15Å
1228G91.9Very high92.1Very high20 Ų2055.1 Ų55.121%0.20627%0.273CS..Hα-helixtrans-81.2-18.3171.200000114T1225 Q1226T1225-G1228 CarbonylContact O-C 3.42Å; T1225-G1228 VanDerWaalsContact O-CA 3.28Å; T1225-G1228 WeakPolarHBondContact O-CA 3.09Å; T1225-G1228 PolarHBondContact O-N 3.29Å; T1225-G1228 PolarHBondContact OG1-N 3.39Å; Q1226-G1228 VanDerWaalsContact C-N 3.31Å; Q1226-G1228 PolarHBondContact O-N 2.91Å
1229R93.3Very high91.9Very high59 Ų5955.9 Ų55.922%0.22328%0.277CS..Hα-helixtrans-81.3-34.5176.6-66173.3-173.1-159.3-2.2112.7W1221 L1224 T1225 Q1226 F1232 I1233W1221-R1229 HydrophobicContact CD2-CG 4.23Å; W1221-R1229 HydrophobicContact CE3-CB 4.42Å; W1221-R1229 HydrophobicContact CE3-CG 3.99Å; W1221-R1229 HydrophobicContact CH2-CB 3.61Å; W1221-R1229 HydrophobicContact CH2-CG 3.77Å; W1221-R1229 HydrophobicContact CZ2-CB 4.22Å; W1221-R1229 HydrophobicContact CZ2-CG 3.96Å; W1221-R1229 HydrophobicContact CZ3-CB 3.71Å; W1221-R1229 HydrophobicContact CZ3-CG 3.76Å; L1224-R1229 HydrophobicContact CB-CG 3.68Å; L1224-R1229 HydrophobicContact CD1-CG 4.3Å; L1224-R1229 PolarHBondContact O-NE 3.33Å; L1224-R1229 PolarHBondContact O-NH2 3.45Å; T1225-R1229 PolarHBondContact O-N 3.21Å; Q1226-R1229 WeakPolarHBondContact O-CB 3.31Å; Q1226-R1229 PolarHBondContact O-N 3.22Å; R1229-F1232 WeakPolarHBondContact O-CA 3.38Å; R1229-F1232 PolarHBondContact O-N 2.87Å; R1229-I1233 HydrophobicContact CB-CD1 4.2Å; R1229-I1233 PolarHBondContact O-N 3.09Å
1230E91.8Very high91.6Very high61 Ų6153.3 Ų53.329%0.28527%0.269SS..Hα-helixtrans-46-46.9178.7159.6166.8-140.800114.2L1165 Q1226 F1232 I1233 R1234L1165-E1230 HydrophobicContact CD1-CB 3.85Å; L1165-E1230 HydrophobicContact CD1-CG 3.69Å; L1165-E1230 HydrophobicContact CG-CG 4.35Å; Q1226-E1230 PolarHBondContact O-N 3.21Å; E1230-F1232 VanDerWaalsContact C-N 3.32Å; E1230-F1232 PolarHBondContact O-N 3.39Å; E1230-I1233 PolarHBondContact O-N 2.87Å; E1230-R1234 HydrophobicContact CG-CG 4.38Å; E1230-R1234 WeakPolarHBondContact O-CB 3.48Å; E1230-R1234 WeakPolarHBondContact O-CG 3.06Å; E1230-R1234 PolarHBondContact O-N 3.07Å; E1230-R1234 IonicContact OE1-CZ 2.65Å; E1230-R1234 IonicContact OE1-NE 3.96Å; E1230-R1234 PolarHBondContact OE1-NE 3.36Å; E1230-R1234 IonicContact OE1-NH2 3.82Å; E1230-R1234 PolarHBondContact OE1-NH2 2.86Å
1231P94.1Very high91.1Very high17 Ų1752.8 Ų52.811%0.1126%0.262CS..Hα-helixtrans-59.4-38175.8-2736.2000114L1204 L1206 L1214 M1235L1204-P1231 VanDerWaalsContact CD2-O 3.29Å; L1204-P1231 WeakPolarHBondContact CD2-O 3.3Å; L1206-P1231 HydrophobicContact CD1-CB 4.31Å; L1206-P1231 HydrophobicContact CD1-CG 4.31Å; L1214-P1231 HydrophobicContact CD2-CB 3.69Å; P1231-M1235 WeakPolarHBondContact O-CB 3.39Å; P1231-M1235 PolarHBondContact O-N 2.75Å
1232F95.3Very high90.2Very high0 Ų056.2 Ų56.20%029%0.287CS..Hα-helixtrans-74-34.4177.4-68.8-84.7000112.2T1178 L1214 P1218 W1221 L1224 R1229 E1230 M1235 Q1236T1178-F1232 HydrophobicContact CG2-CD1 3.9Å; T1178-F1232 HydrophobicContact CG2-CD2 4.2Å; T1178-F1232 HydrophobicContact CG2-CE1 3.97Å; T1178-F1232 HydrophobicContact CG2-CE2 4.24Å; T1178-F1232 HydrophobicContact CG2-CG 4.03Å; T1178-F1232 HydrophobicContact CG2-CZ 4.14Å; T1178-F1232 WeakPolarHBondContact O-CE1 3.48Å; L1214-F1232 HydrophobicContact CD1-CD2 4.44Å; L1214-F1232 HydrophobicContact CD1-CE2 3.53Å; L1214-F1232 HydrophobicContact CD1-CZ 3.57Å; L1214-F1232 HydrophobicContact CG-CE2 4.48Å; L1214-F1232 HydrophobicContact CG-CZ 4.19Å; P1218-F1232 HydrophobicContact CB-CE1 3.79Å; P1218-F1232 HydrophobicContact CB-CZ 3.69Å; W1221-F1232 HydrophobicContact CZ3-CB 4.09Å; L1224-F1232 HydrophobicContact CD1-CD2 3.47Å; L1224-F1232 VanDerWaalsContact CD1-CD2 3.47Å; L1224-F1232 HydrophobicContact CD1-CE2 3.5Å; L1224-F1232 HydrophobicContact CD1-CG 4.42Å; L1224-F1232 HydrophobicContact CD1-CZ 4.48Å; L1224-F1232 HydrophobicContact CD2-CE2 4.25Å; R1229-F1232 WeakPolarHBondContact O-CA 3.38Å; R1229-F1232 PolarHBondContact O-N 2.87Å; E1230-F1232 VanDerWaalsContact C-N 3.32Å; E1230-F1232 PolarHBondContact O-N 3.39Å; F1232-M1235 HydrophobicContact CD1-CE 3.46Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.46Å; F1232-M1235 HydrophobicContact CE1-CE 3.73Å; F1232-M1235 HydrophobicContact CG-CE 4.34Å; F1232-M1235 CarbonylContact O-C 3.59Å; F1232-M1235 WeakPolarHBondContact O-CB 3.5Å; F1232-M1235 PolarHBondContact O-N 2.94Å; F1232-Q1236 PolarHBondContact O-N 3.32Å
1233I92.8Very high89.6Confident2 Ų253.1 Ų53.11%0.0128%0.277CS..Hα-helixtrans-65.3-49173.5-66.7160000110.6L1165 D1169 I1170 Y1173 L1176 W1221 R1229 E1230 M1235 Q1236 L1237L1165-I1233 HydrophobicContact CD1-CB 3.82Å; L1165-I1233 HydrophobicContact CD1-CD1 4.31Å; L1165-I1233 HydrophobicContact CD1-CG2 3.6Å; L1165-I1233 HydrophobicContact CD2-CG2 3.96Å; L1165-I1233 HydrophobicContact CG-CG2 4.43Å; D1169-I1233 HydrophobicContact CB-CG2 4.35Å; I1170-I1233 HydrophobicContact CG1-CD1 4.26Å; Y1173-I1233 HydrophobicContact CD2-CG2 3.83Å; Y1173-I1233 HydrophobicContact CE2-CG2 4.34Å; L1176-I1233 HydrophobicContact CD1-CG1 4.35Å; W1221-I1233 HydrophobicContact CH2-CD1 4.12Å; W1221-I1233 HydrophobicContact CH2-CG1 3.95Å; R1229-I1233 HydrophobicContact CB-CD1 4.2Å; R1229-I1233 PolarHBondContact O-N 3.09Å; E1230-I1233 PolarHBondContact O-N 2.87Å; I1233-M1235 PolarHBondContact O-N 2.96Å; I1233-Q1236 PolarHBondContact O-N 3.23Å; I1233-Q1236 VanDerWaalsContact O-N 3.15Å; I1233-L1237 HydrophobicContact CG2-CD1 4.09Å; I1233-L1237 WeakPolarHBondContact O-CG 3.35Å; I1233-L1237 PolarHBondContact O-N 3.32Å
1234R92.2Very high89Confident9 Ų948.9 Ų48.93%0.03425%0.254CS..Hα-helixtrans-57.3-36.4173-70.7170.1176.2-86.6-10111.8L1162 P1163 L1165 I1203 L1204 E1230 F1238L1162-R1234 PolarHBondContact O-NH1 3.45Å; L1162-R1234 PolarHBondContact O-NH2 3.3Å; P1163-R1234 PolarHBondContact O-NH2 2.9Å; L1165-R1234 HydrophobicContact CD1-CG 4.19Å; L1165-R1234 HydrophobicContact CD2-CG 3.88Å; L1165-R1234 HydrophobicContact CG-CG 4.12Å; I1203-R1234 HydrophobicContact CG2-CB 4.47Å; I1203-R1234 PolarHBondContact O-NH1 3.34Å; L1204-R1234 HydrophobicContact CD2-CB 3.6Å; E1230-R1234 HydrophobicContact CG-CG 4.38Å; E1230-R1234 WeakPolarHBondContact O-CB 3.48Å; E1230-R1234 WeakPolarHBondContact O-CG 3.06Å; E1230-R1234 PolarHBondContact O-N 3.07Å; E1230-R1234 IonicContact OE1-CZ 2.65Å; E1230-R1234 IonicContact OE1-NE 3.96Å; E1230-R1234 PolarHBondContact OE1-NE 3.36Å; E1230-R1234 IonicContact OE1-NH2 3.82Å; E1230-R1234 PolarHBondContact OE1-NH2 2.86Å; R1234-F1238 WeakPolarHBondContact O-CB 3.3Å; R1234-F1238 PolarHBondContact O-N 3.2Å
1235M93.6Very high88.4Confident0 Ų048.5 Ų48.50%025%0.252CS..Hα-helixtrans-71.7-38.6177.2-165157.563.800112.3I1181 A1182 T1185 F1199 L1204 L1215 P1231 F1232 I1233 F1238 L1239I1181-M1235 HydrophobicContact CB-CE 4.31Å; I1181-M1235 HydrophobicContact CG2-CB 3.98Å; I1181-M1235 HydrophobicContact CG2-CE 3.63Å; I1181-M1235 HydrophobicContact CG2-CG 3.7Å; I1181-M1235 HydrophobicContact CG2-SD 4.37Å; A1182-M1235 HydrophobicContact CB-CE 4.34Å; T1185-M1235 HydrophobicContact CG2-CG 3.9Å; T1185-M1235 HydrophobicContact CG2-SD 3.73Å; T1185-M1235 WeakPolarHBondContact OG1-CG 3.48Å; F1199-M1235 HydrophobicContact CE1-SD 4.34Å; F1199-M1235 HydrophobicContact CZ-CG 3.99Å; F1199-M1235 HydrophobicContact CZ-SD 4.16Å; L1204-M1235 HydrophobicContact CD2-CB 4.43Å; L1215-M1235 HydrophobicContact CD2-CE 4.16Å; L1215-M1235 HydrophobicContact CD2-SD 3.61Å; P1231-M1235 WeakPolarHBondContact O-CB 3.39Å; P1231-M1235 PolarHBondContact O-N 2.75Å; F1232-M1235 HydrophobicContact CD1-CE 3.46Å; F1232-M1235 VanDerWaalsContact CD1-CE 3.46Å; F1232-M1235 HydrophobicContact CE1-CE 3.73Å; F1232-M1235 HydrophobicContact CG-CE 4.34Å; F1232-M1235 CarbonylContact O-C 3.59Å; F1232-M1235 WeakPolarHBondContact O-CB 3.5Å; F1232-M1235 PolarHBondContact O-N 2.94Å; I1233-M1235 PolarHBondContact O-N 2.96Å; M1235-F1238 WeakPolarHBondContact O-CB 3.45Å; M1235-F1238 PolarHBondContact O-N 3.42Å; M1235-L1239 WeakPolarHBondContact O-CG 3.27Å; M1235-L1239 PolarHBondContact O-N 3Å
1236Q92.9Very high87.7Confident25 Ų2547.9 Ų47.912%0.11724%0.244CC..Hα-helixtrans-65.4-42171.6-170.264.947.900111.9Y1173 L1176 I1181 F1232 I1233 F1238 L1239 N1240Y1173-Q1236 HydrophobicContact CD1-CG 4.2Å; Y1173-Q1236 HydrophobicContact CE1-CG 3.77Å; L1176-Q1236 HydrophobicContact CD1-CB 4.31Å; L1176-Q1236 HydrophobicContact CD2-CG 4.37Å; I1181-Q1236 HydrophobicContact CD1-CB 4.49Å; I1181-Q1236 VanDerWaalsContact CG1-OE1 3.28Å; F1232-Q1236 PolarHBondContact O-N 3.32Å; I1233-Q1236 PolarHBondContact O-N 3.23Å; I1233-Q1236 VanDerWaalsContact O-N 3.15Å; Q1236-F1238 PolarHBondContact O-N 3.15Å; Q1236-L1239 PolarHBondContact O-N 2.96Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.14Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.21Å; Q1236-N1240 PolarHBondContact O-OD1 2.69Å
1237L89.8Confident87.3Confident30 Ų3048.5 Ų48.516%0.15725%0.245CC..Hα-helixtrans-64.1-27.8173.7-71.1169000112.7L1165 D1169 Y1173 I1233 N1241 H1244L1165-L1237 HydrophobicContact CD2-CD1 3.76Å; D1169-L1237 HydrophobicContact CB-CD1 4.31Å; Y1173-L1237 HydrophobicContact CE2-CD2 3.91Å; Y1173-L1237 HydrophobicContact CE2-CG 4.04Å; I1233-L1237 HydrophobicContact CG2-CD1 4.09Å; I1233-L1237 WeakPolarHBondContact O-CG 3.35Å; I1233-L1237 PolarHBondContact O-N 3.32Å; L1237-N1241 PolarHBondContact O-ND2 3.4Å; L1237-H1244 PolarHBondContact O-ND1 3.21Å
1238F90.7Very high86.8Confident2 Ų240.3 Ų40.31%0.00921%0.21CC..Hα-helixtrans-71.7-48.8168.6169.9-102.9000111.9T1185 I1188 F1199 I1203 R1234 M1235 Q1236 N1240 N1241 H1244 I1245 L1248T1185-F1238 HydrophobicContact CG2-CD1 4.48Å; T1185-F1238 HydrophobicContact CG2-CE1 4.41Å; I1188-F1238 HydrophobicContact CB-CE1 4.49Å; I1188-F1238 HydrophobicContact CG2-CE1 3.89Å; I1188-F1238 HydrophobicContact CG2-CZ 3.86Å; F1199-F1238 HydrophobicContact CD2-CD1 4.37Å; F1199-F1238 HydrophobicContact CD2-CE1 4.33Å; F1199-F1238 HydrophobicContact CD2-CG 4.47Å; F1199-F1238 HydrophobicContact CD2-CZ 4.41Å; F1199-F1238 HydrophobicContact CE2-CB 4.27Å; F1199-F1238 AromaticContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD1 3.63Å; F1199-F1238 HydrophobicContact CE2-CD2 4.23Å; F1199-F1238 AromaticContact CE2-CE1 3.99Å; F1199-F1238 HydrophobicContact CE2-CE1 3.99Å; F1199-F1238 AromaticContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CG 3.77Å; F1199-F1238 HydrophobicContact CE2-CZ 4.44Å; F1199-F1238 HydrophobicContact CZ-CD1 4.41Å; I1203-F1238 HydrophobicContact CD1-CD2 4.26Å; I1203-F1238 HydrophobicContact CG1-CD2 4.2Å; I1203-F1238 HydrophobicContact CG2-CB 4.04Å; R1234-F1238 WeakPolarHBondContact O-CB 3.3Å; R1234-F1238 PolarHBondContact O-N 3.2Å; M1235-F1238 WeakPolarHBondContact O-CB 3.45Å; M1235-F1238 PolarHBondContact O-N 3.42Å; Q1236-F1238 PolarHBondContact O-N 3.15Å; F1238-N1240 VanDerWaalsContact C-N 3.27Å; F1238-N1240 PolarHBondContact O-N 3.26Å; F1238-N1241 PolarHBondContact O-N 2.82Å; F1238-H1244 HydrophobicContact CD2-CB 3.65Å; F1238-H1244 HydrophobicContact CE2-CB 4.1Å; F1238-I1245 HydrophobicContact CE2-CG1 4.01Å; F1238-I1245 HydrophobicContact CZ-CG1 3.98Å; F1238-L1248 HydrophobicContact CD2-CD1 4.3Å; F1238-L1248 HydrophobicContact CE2-CD1 3.58Å; F1238-L1248 HydrophobicContact CZ-CD1 4.2Å
1239L91.7Very high86Confident30 Ų3044.2 Ų44.216%0.15723%0.225CC..Hα-helixtrans-61.4-32.7178.3-68.4-178.9000113.4I1181 R1184 T1185 I1188 M1235 Q1236I1181-L1239 HydrophobicContact CB-CD1 4.44Å; I1181-L1239 HydrophobicContact CG2-CD1 3.81Å; R1184-L1239 HydrophobicContact CB-CD1 3.63Å; R1184-L1239 HydrophobicContact CB-CD2 4.01Å; R1184-L1239 HydrophobicContact CB-CG 4.49Å; R1184-L1239 HydrophobicContact CG-CD1 4.47Å; T1185-L1239 WeakPolarHBondContact OG1-CD2 3.48Å; I1188-L1239 HydrophobicContact CD1-CD2 3.64Å; I1188-L1239 HydrophobicContact CG1-CD2 4.39Å; M1235-L1239 WeakPolarHBondContact O-CG 3.27Å; M1235-L1239 PolarHBondContact O-N 3Å; Q1236-L1239 PolarHBondContact O-N 2.96Å
1240N88.4Confident85.2Confident82 Ų8248.6 Ų48.644%0.43925%0.248SC..THydrogen-bonded Turntrans-80.5-9.9-177-70.8-0.6000114.3Y1173 Q1236 F1238Y1173-N1240 PolarHBondContact OH-ND2 2.89Å; Y1173-N1240 VanDerWaalsContact OH-ND2 3.09Å; Q1236-N1240 PolarHBondContact NE2-OD1 3.14Å; Q1236-N1240 WeakPolarHBondContact O-CB 3.48Å; Q1236-N1240 PolarHBondContact O-N 3.21Å; Q1236-N1240 PolarHBondContact O-OD1 2.69Å; F1238-N1240 VanDerWaalsContact C-N 3.27Å; F1238-N1240 PolarHBondContact O-N 3.26Å
1241N83Confident84.2Confident65 Ų6549.3 Ų49.335%0.34826%0.26SS..  trans-133.4100.9-172.6-66.7-78.7000111L1237 F1238 D1243 H1244L1237-N1241 PolarHBondContact O-ND2 3.4Å; F1238-N1241 PolarHBondContact O-N 2.82Å; N1241-D1243 PolarHBondContact O-N 3.48Å; N1241-H1244 WeakPolarHBondContact O-CB 3.49Å; N1241-H1244 PolarHBondContact O-N 3.39Å
1242P74.5Confident83.7Confident87 Ų8750.9 Ų50.957%0.56527%0.267SS*.THydrogen-bonded Turntrans-61.8-27.5-176.825.4-34.2000113H1244 I1245 I1246P1242-H1244 PolarHBondContact O-N 3.01Å; P1242-H1244 VanDerWaalsContact O-N 3.11Å; P1242-I1245 WeakPolarHBondContact O-CA 3.42Å; P1242-I1245 VanDerWaalsContact O-CB 3.23Å; P1242-I1245 WeakPolarHBondContact O-CB 3.45Å; P1242-I1245 PolarHBondContact O-N 3.34Å; P1242-I1246 PolarHBondContact O-N 3.12Å
1243D79.2Confident83.1Confident90 Ų9053.6 Ų53.648%0.48128%0.281SS..Hα-helixtrans-55.3-28.2174.2-61.4-2.6000113.6N1241 I1245 I1246 K1247N1241-D1243 PolarHBondContact O-N 3.48Å; D1243-I1245 VanDerWaalsContact C-N 3.26Å; D1243-I1245 PolarHBondContact O-N 2.97Å; D1243-I1246 PolarHBondContact O-N 3.22Å; D1243-K1247 WeakPolarHBondContact O-CB 3.44Å; D1243-K1247 WeakPolarHBondContact O-CD 3.5Å; D1243-K1247 VanDerWaalsContact O-CG 3.27Å; D1243-K1247 WeakPolarHBondContact O-CG 3.45Å; D1243-K1247 PolarHBondContact O-N 3.4Å
1244H79.3Confident82.5Confident40 Ų4056.4 Ų56.419%0.18530%0.296CS..Hα-helixtrans-70.6-24.4175.8-64.1153.2000112.4L1237 F1238 N1241 P1242 L1248L1237-H1244 PolarHBondContact O-ND1 3.21Å; F1238-H1244 HydrophobicContact CD2-CB 3.65Å; F1238-H1244 HydrophobicContact CE2-CB 4.1Å; N1241-H1244 WeakPolarHBondContact O-CB 3.49Å; N1241-H1244 PolarHBondContact O-N 3.39Å; P1242-H1244 PolarHBondContact O-N 3.01Å; P1242-H1244 VanDerWaalsContact O-N 3.11Å; H1244-L1248 WeakPolarHBondContact O-CB 3.06Å; H1244-L1248 VanDerWaalsContact O-CG 3.26Å; H1244-L1248 WeakPolarHBondContact O-CG 3.23Å; H1244-L1248 PolarHBondContact O-N 3.19Å
1245I79Confident82Confident13 Ų1359.2 Ų59.27%0.06731%0.312CS..Hα-helixtrans-70.6-47.7170.8-51.2175000108.8I1188 Y1192 I1194 F1238 P1242 D1243 K1247 L1248 L1249I1188-I1245 HydrophobicContact CD1-CD1 4.37Å; I1188-I1245 HydrophobicContact CG2-CD1 3.79Å; I1188-I1245 HydrophobicContact CG2-CG1 4.18Å; Y1192-I1245 HydrophobicContact CD1-CG2 3.76Å; Y1192-I1245 HydrophobicContact CD2-CD1 4.31Å; Y1192-I1245 HydrophobicContact CD2-CG2 3.83Å; Y1192-I1245 HydrophobicContact CE1-CG2 4.1Å; Y1192-I1245 HydrophobicContact CE2-CD1 3.89Å; Y1192-I1245 HydrophobicContact CE2-CG2 4.18Å; Y1192-I1245 HydrophobicContact CG-CG2 3.6Å; I1194-I1245 HydrophobicContact CD1-CG2 3.78Å; F1238-I1245 HydrophobicContact CE2-CG1 4.01Å; F1238-I1245 HydrophobicContact CZ-CG1 3.98Å; P1242-I1245 WeakPolarHBondContact O-CA 3.42Å; P1242-I1245 VanDerWaalsContact O-CB 3.23Å; P1242-I1245 WeakPolarHBondContact O-CB 3.45Å; P1242-I1245 PolarHBondContact O-N 3.34Å; D1243-I1245 VanDerWaalsContact C-N 3.26Å; D1243-I1245 PolarHBondContact O-N 2.97Å; I1245-K1247 PolarHBondContact O-N 3.24Å; I1245-L1248 PolarHBondContact O-N 3.26Å; I1245-L1249 HydrophobicContact CG2-CD1 4.08Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.92Å
1246I77.5Confident81.2Confident92 Ų9262.9 Ų62.947%0.47233%0.331SS..Hα-helixtrans-59.3-47.7177.8-56.9176.4000110.7P1242 D1243 L1248 L1249 Q1250P1242-I1246 PolarHBondContact O-N 3.12Å; D1243-I1246 PolarHBondContact O-N 3.22Å; I1246-L1248 VanDerWaalsContact C-N 3.29Å; I1246-L1248 PolarHBondContact O-N 2.9Å; I1246-L1249 PolarHBondContact O-N 3Å; I1246-L1249 VanDerWaalsContact O-N 3.12Å; I1246-Q1250 WeakPolarHBondContact O-CG 3.45Å; I1246-Q1250 PolarHBondContact O-N 3.24Å
1247K77.3Confident80.5Confident119 Ų11965.5 Ų65.552%0.51735%0.345SS..Hα-helixtrans-63.3-30178-71.7164-175.5165.10113.3D1243 I1245D1243-K1247 WeakPolarHBondContact O-CB 3.44Å; D1243-K1247 WeakPolarHBondContact O-CD 3.5Å; D1243-K1247 VanDerWaalsContact O-CG 3.27Å; D1243-K1247 WeakPolarHBondContact O-CG 3.45Å; D1243-K1247 PolarHBondContact O-N 3.4Å; I1245-K1247 PolarHBondContact O-N 3.24Å
1248L75.3Confident79.8Confident4 Ų468 Ų682%0.02136%0.359CS..Hα-helixtrans-77.1-33.9172.1-76.9174.9000112.8I1194 L1198 F1199 Y1202 I1203 F1238 H1244 I1245 I1246 Q1250 S1251I1194-L1248 HydrophobicContact CD1-CB 4.04Å; I1194-L1248 HydrophobicContact CD1-CD1 4.28Å; I1194-L1248 HydrophobicContact CG2-CB 4.48Å; I1194-L1248 HydrophobicContact CG2-CD1 4.13Å; L1198-L1248 VanDerWaalsContact CD2-O 3.27Å; L1198-L1248 WeakPolarHBondContact CD2-O 3.34Å; L1198-L1248 HydrophobicContact CG-CD2 4.39Å; F1199-L1248 HydrophobicContact CD2-CD1 4.26Å; Y1202-L1248 HydrophobicContact CD2-CD2 4.17Å; Y1202-L1248 HydrophobicContact CG-CD2 4.25Å; I1203-L1248 HydrophobicContact CD1-CD1 4.14Å; I1203-L1248 HydrophobicContact CD1-CD2 4.29Å; I1203-L1248 HydrophobicContact CD1-CG 4.27Å; I1203-L1248 HydrophobicContact CG1-CD1 3.9Å; I1203-L1248 HydrophobicContact CG1-CD2 4.28Å; I1203-L1248 HydrophobicContact CG1-CG 4.44Å; F1238-L1248 HydrophobicContact CD2-CD1 4.3Å; F1238-L1248 HydrophobicContact CE2-CD1 3.58Å; F1238-L1248 HydrophobicContact CZ-CD1 4.2Å; H1244-L1248 WeakPolarHBondContact O-CB 3.06Å; H1244-L1248 VanDerWaalsContact O-CG 3.26Å; H1244-L1248 WeakPolarHBondContact O-CG 3.23Å; H1244-L1248 PolarHBondContact O-N 3.19Å; I1245-L1248 PolarHBondContact O-N 3.26Å; I1246-L1248 VanDerWaalsContact C-N 3.29Å; I1246-L1248 PolarHBondContact O-N 2.9Å; L1248-Q1250 PolarHBondContact O-N 3.12Å; L1248-S1251 PolarHBondContact O-N 2.93Å; L1248-S1251 PolarHBondContact O-OG 2.95Å
1249L75.4Confident78.9Confident101 Ų10173.1 Ų73.153%0.52939%0.386SS..Hα-helixtrans-71.4-20.8175.6-69.2169.7000112.3Y1192 I1194 I1245 I1246Y1192-L1249 HydrophobicContact CD1-CD1 4.18Å; I1194-L1249 HydrophobicContact CD1-CD2 4.31Å; I1194-L1249 HydrophobicContact CD1-CG 4.28Å; I1194-L1249 HydrophobicContact CG1-CD2 3.94Å; I1194-L1249 HydrophobicContact CG1-CG 4.44Å; I1245-L1249 HydrophobicContact CG2-CD1 4.08Å; I1245-L1249 WeakPolarHBondContact O-CG 3.38Å; I1245-L1249 PolarHBondContact O-N 2.92Å; I1246-L1249 PolarHBondContact O-N 3Å; I1246-L1249 VanDerWaalsContact O-N 3.12Å
1250Q76.2Confident77.9Confident152 Ų15276.7 Ų76.771%0.7141%0.405SS*.THydrogen-bonded Turntrans-84-5.9173.5-70.7171.3-14.300114.5I1246 L1248I1246-Q1250 WeakPolarHBondContact O-CG 3.45Å; I1246-Q1250 PolarHBondContact O-N 3.24Å; L1248-Q1250 PolarHBondContact O-N 3.12Å
1251S69.5Low76.9Confident75 Ų7576.2 Ų76.252%0.52440%0.402SS..  trans-115.40-164.975.20000116.5L1248L1248-S1251 PolarHBondContact O-N 2.93Å; L1248-S1251 PolarHBondContact O-OG 2.95Å

Retrieved 1,251 of 1,251 residues in 888.1 ms (Link to these results)