A0A060W4G0_ONCMY Loading...

Zinc finger protein 148

AlphaFold DB , UniProt , Accession A0A060W4G0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 806 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
1M29.9Very low33.6Very low245 Ų245164.5 Ų164.5100%1.20786%0.858SS**  01580-76.416964.100108.2
2N32.9Very low33.6Very low139 Ų139163.8 Ų163.874%0.74386%0.855SS**  trans-73.7158175.9-163.317.8000111.3
3I35.8Very low33.3Very low157 Ų157166.9 Ų166.981%0.80586%0.857SS**  trans-174.299.6139.5-82.1138.4000105.6
4D39.3Very low33Very low141 Ų141163.5 Ų163.575%0.75485%0.854SS**  -99.7-178.3128.8-91.6-52.9000107.2
5D40.4Very low32.7Very low154 Ų154159.7 Ų159.782%0.82485%0.847SS**  trans78.4100.1-174.1-65.6-27.1000117.4
6K35.1Very low32.4Very low196 Ų196154 Ų15485%0.85284%0.837SS**  -165.3151.8108.3-114.6174.6-177.71750115.9
7L35.9Very low32.2Very low156 Ų156152.4 Ų152.482%0.81783%0.834SS**  trans74.184157.9-67.8159.9000117.8
8E32Very low32.1Very low195 Ų195150.6 Ų150.691%0.91183%0.828SS**  trans-48.8144.3131.3-59.5178.1112.400110.5
9G29.2Very low32Very low70 Ų70149.4 Ų149.472%0.72282%0.82SS**  trans-167.2103.5-177.800000115.9
10M30.8Very low31.7Very low197 Ų197148.7 Ų148.797%0.9781%0.81SS**  trans73.4123.8158-61.6179.559.100119.8
11L28.4Very low31.8Very low159 Ų159150.8 Ų150.883%0.83281%0.806SS**  trans-94.5163.2173.8-75.3157.5000112.5
12L34Very low31.8Very low157 Ų157145.5 Ų145.582%0.82279%0.788SS**  trans60.6106.4148.2-9872.7000120.8
13K29.1Very low31.6Very low204 Ų204142.4 Ų142.489%0.88779%0.789SS**  -169146.9128-110161.8176.9170.50109.7
14C28.9Very low31.5Very low119 Ų119143.5 Ų143.580%0.80479%0.794SS**  cis-147.9172.2-6.2-152.30000109.8
15S29.4Very low30.9Very low107 Ų107140.1 Ų140.175%0.74879%0.793SS**  trans-121.9154.3-170.247.90000115
16G26.6Very low30.4Very low68 Ų68137 Ų13770%0.70180%0.797SS**  trans-132.1118.5154.700000106.6
17V29.9Very low30Very low127 Ų127131.8 Ų131.877%0.7780%0.799SS**  48125.154.2-97.40000113.3
18V31Very low29.6Very low120 Ų120128.4 Ų128.473%0.72780%0.802SS**  cis-140.5154.822.6-75.70000114.9
19D28.6Very low29.4Very low127 Ų127126.6 Ų126.668%0.67980%0.797SS**  trans43.5156.6143.9-68.6-66.9000123.8
20E27.6Very low29.5Very low135 Ų135129.4 Ų129.463%0.63180%0.8SS**  cis-148.41514.4-14217313300114.6
21R33Very low29.4Very low193 Ų193125.2 Ų125.273%0.72879%0.786SS**  trans11.7152.4151.5-68.9-175.8-98.3-105.8-5.6122
22V30Very low29.5Very low135 Ų135125.9 Ų125.982%0.81879%0.786SS**  cis-166.5152.3-4.4124.40000109.6
23G28.2Very low29.3Very low74 Ų74124.5 Ų124.576%0.76379%0.785SS**  trans173.289.4170.800000117.3
24I33.8Very low29.5Very low180 Ų180123.4 Ų123.492%0.92379%0.788SS**  trans-59.4145178.2-56.9162.1000112
25G27.4Very low29.3Very low70 Ų70121.2 Ų121.272%0.72279%0.786SS**  cis160.8163.7-4.900000113.5
26G29.5Very low29.4Very low89 Ų89125.4 Ų125.492%0.91879%0.793SS**  trans80144.2175.600000115.7
27G27.2Very low29.5Very low85 Ų85133.6 Ų133.688%0.87680%0.803SS**  cis165.9127.9-8.300000111.6
28G27.6Very low29.4Very low86 Ų86131.3 Ų131.389%0.88781%0.806SS**  trans139.394.6175.600000114.7
29L26.7Very low29.4Very low156 Ų156134 Ų13482%0.81782%0.815SS**  trans-100.2132.7171.1-18076.4000109.5V31L29-V31 HydrophobicContact CD2-CG2 4.43Å; L29-V31 HydrophobicContact CG-CG2 4.45Å
30V31.1Very low29.3Very low129 Ų129132.4 Ų132.478%0.78282%0.819SS**  trans-133.5113.3163-176.90000109.2M32V30-M32 HydrophobicContact CG1-CG 4.25Å
31V29.9Very low29.4Very low110 Ų110135.2 Ų135.267%0.66783%0.832SS**  trans-87.8136.8167.4173.90000108.2L29L29-V31 HydrophobicContact CD2-CG2 4.43Å; L29-V31 HydrophobicContact CG-CG2 4.45Å
32M29.8Very low29.2Very low172 Ų172134.4 Ų134.485%0.84784%0.836SS**  trans-125.1139.8163.8-66.2-150.678.700110.3V30V30-M32 HydrophobicContact CG1-CG 4.25Å
33T31Very low29.4Very low129 Ų129133 Ų13379%0.79183%0.83SS**  trans-89.7159.8-169.542.80000113.1
34L31.7Very low29.5Very low180 Ų180136.4 Ų136.494%0.94283%0.83SS**  trans-63.7136.4168.9-77.4149.9000110.4
35G25.8Very low29.4Very low74 Ų74134.9 Ų134.976%0.76382%0.823SS**  trans-130.6111.3175.100000110.6
36E30Very low29.6Very low195 Ų195135.1 Ų135.191%0.91182%0.818SS**  trans-73.3145.9-174.6-57.9-179.1120.900112.6
37R29.8Very low29.8Very low239 Ų239137.7 Ų137.790%0.90281%0.811SS**  trans-141.8103.9166.1-73.8-170.5173.9158.90.2110.7
38G28.3Very low30.1Very low80 Ų80137 Ų13783%0.82579%0.787SS**  trans-67137.117700000113
39L29.9Very low30.7Very low175 Ų175139.8 Ų139.892%0.91678%0.781SS**  trans-135.193.8169.8-74.4177.8000109.5
40A26.1Very low31.6Very low94 Ų94134.5 Ų134.578%0.77775%0.754SS**  trans-12175.5-178.100000111.7
41H31.6Very low32.1Very low195 Ų195135.7 Ų135.790%0.90376%0.756SS**  trans-159.683.4161.3-95.5-46000112.5
42H27.9Very low32.9Very low176 Ų176133.5 Ų133.582%0.81574%0.741SS**  trans-149.4140.9149.7-137.5-96.1000109.3L44H42-L44 PolarHBondContact O-N 3.24Å
43P33.3Very low34Very low105 Ų105134 Ų13468%0.68274%0.741SS**  trans-66130.9174-17.631.4000109.7L45P43-L45 PolarHBondContact O-N 3.14Å
44L32Very low34.8Very low146 Ų146136.6 Ų136.676%0.76474%0.744SS**  trans-65.8104.7165.8-64.5174.5000107.9H42H42-L44 PolarHBondContact O-N 3.24Å
45L31.2Very low35.3Very low147 Ų147132.6 Ų132.677%0.7772%0.724SS**  trans-60.6143.9145.8-64172.7000106.3P43 D47P43-L45 PolarHBondContact O-N 3.14Å; L45-D47 PolarHBondContact O-N 3.05Å
46A31.6Very low36Very low75 Ų75136.4 Ų136.462%0.6273%0.727SS**  trans-65.9130.3156.800000106D48A46-D48 VanDerWaalsContact C-N 3.28Å; A46-D48 PolarHBondContact O-N 3.34Å
47D32.4Very low36.5Very low143 Ų143133.6 Ų133.677%0.76572%0.718SS**  trans-65.998.9163.4-64-66.3000106.2L45 D49L45-D47 PolarHBondContact O-N 3.05Å; D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 PolarHBondContact O-N 3.03Å; D47-D49 VanDerWaalsContact O-N 3.13Å
48D34.6Very low37Very low71 Ų71130 Ų13038%0.3872%0.716SS.*  trans-65.6101.1157-90.4-29.6000104.9A46 D50 R210A46-D48 VanDerWaalsContact C-N 3.28Å; A46-D48 PolarHBondContact O-N 3.34Å; D48-D50 PolarHBondContact O-N 3.19Å; D48-R210 IonicContact OD1-CZ 2.82Å; D48-R210 IonicContact OD1-NH1 2.8Å; D48-R210 IonicContact OD1-NH2 3.55Å; D48-R210 PolarHBondContact OD1-NH2 3.17Å; D48-R210 IonicContact OD2-CZ 3.66Å; D48-R210 IonicContact OD2-NH1 2.92Å; D48-R210 PolarHBondContact OD2-NH1 2.8Å; D48-R210 IonicContact OD2-NH2 3.5Å; D48-R210 PolarHBondContact OD2-NH2 2.36Å
49D39.3Very low37.4Very low144 Ų144132.6 Ų132.677%0.7772%0.715SS**  trans-66.466.8166.4-65.4-51.1000109D47 D51D47-D49 VanDerWaalsContact C-N 3.31Å; D47-D49 PolarHBondContact O-N 3.03Å; D47-D49 VanDerWaalsContact O-N 3.13Å; D49-D51 PolarHBondContact O-N 3.48Å
50D46.8Very low37.4Very low46 Ų46127.6 Ų127.625%0.24671%0.706CS.*  trans-77.1105.5167.4-884000106.8D48 D52 R210 Q232 Y234 H235D48-D50 PolarHBondContact O-N 3.19Å; D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 3.13Å; D50-R210 IonicContact OD1-NH2 3.07Å; D50-Q232 PolarHBondContact OD2-NE2 3.49Å; D50-Y234 PolarHBondContact OD2-OH 3.25Å; D50-H235 VanDerWaalsContact CG-NE2 3.34Å; D50-H235 IonicContact OD1-NE2 3.08Å; D50-H235 IonicContact OD2-CE1 3.78Å; D50-H235 PolarHBondContact OD2-CE1 3.27Å; D50-H235 IonicContact OD2-NE2 2.84Å; D50-H235 PolarHBondContact OD2-NE2 3.37Å
51D42Very low37.8Very low153 Ų153130.1 Ų130.182%0.81871%0.712SS**  trans-63.683.3177.4-70.2-58.7000112D49 E53D49-D51 PolarHBondContact O-N 3.48Å; D51-E53 PolarHBondContact O-N 3.48Å
52D46.4Very low37.7Very low65 Ų65125.8 Ų125.835%0.34870%0.703SS.*  trans-73.846.6179.6-12125.7000111.7D50 R238 R260D50-D52 VanDerWaalsContact C-N 3.31Å; D50-D52 PolarHBondContact O-N 3.13Å; D52-R238 IonicContact OD1-CZ 3.87Å; D52-R238 IonicContact OD1-NH1 3.9Å; D52-R238 PolarHBondContact OD1-NH1 3.46Å; D52-R238 IonicContact OD1-NH2 3.51Å; D52-R238 PolarHBondContact OD1-NH2 3.26Å; D52-R238 IonicContact OD2-CZ 2.76Å; D52-R238 IonicContact OD2-NH1 3.24Å; D52-R238 PolarHBondContact OD2-NH1 2.97Å; D52-R238 IonicContact OD2-NH2 4Å; D52-R260 IonicContact OD2-CZ 2.76Å; D52-R260 IonicContact OD2-NH1 3.69Å; D52-R260 PolarHBondContact OD2-NH1 3.43Å; D52-R260 VanDerWaalsContact OD2-NH1 3.15Å; D52-R260 IonicContact OD2-NH2 2.76Å; D52-R260 PolarHBondContact OD2-NH2 3.24Å
53E51.3Low37.8Very low182 Ų182123.5 Ų123.585%0.8570%0.702SS**  trans-99.679171.8-75.8-151.9161.800112.6D51D51-E53 PolarHBondContact O-N 3.48Å
54E48.5Very low37.6Very low183 Ų183124.7 Ų124.786%0.85571%0.707SS**  trans-178.1103.9146-105.4173.4-146.200108.1
55D42.7Very low37.6Very low97 Ų97122.6 Ų122.652%0.51970%0.704SS.*  trans-145.543.8-175.6-114.1-0.5000108.9D57 R260 R263D55-D57 PolarHBondContact O-N 3.35Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D55-R260 IonicContact OD2-NH1 3.69Å; D55-R263 IonicContact OD2-CZ 3.45Å; D55-R263 IonicContact OD2-NH2 2.74Å; D55-R263 PolarHBondContact OD2-NH2 2.98Å
56D40.8Very low37.5Very low154 Ų154124.2 Ų124.282%0.82471%0.707SS**  trans-80.574.4-176.9-99.5-34.3000113.1L58D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 2.93Å
57D40.8Very low37.3Very low135 Ų135126.5 Ų126.572%0.72271%0.709SS**  trans-73.171.7177.6-100.3-26.2000113.1D55 T59D55-D57 PolarHBondContact O-N 3.35Å; D55-D57 VanDerWaalsContact O-N 3.07Å; D57-T59 PolarHBondContact O-N 3.09Å
58L38.7Very low37.3Very low164 Ų164127.3 Ų127.386%0.85971%0.712SS**  trans-72.685.1169.3-74.3179.6000111.8D56D56-L58 VanDerWaalsContact C-N 3.3Å; D56-L58 PolarHBondContact O-N 2.93Å
59T37.3Very low36.9Very low134 Ų134131.5 Ų131.582%0.82273%0.733SS**  trans-101.599.1171.842.90000111.4D57D57-T59 PolarHBondContact O-N 3.09Å
60G30.3Very low36.6Very low70 Ų70128.9 Ų128.972%0.72273%0.732SS**  trans-175126.6176.800000117.1
61V33.4Very low35.8Very low148 Ų148133.5 Ų133.590%0.89776%0.762SS**  trans87.2130.2165.3-171.40000117.4V63V61-V63 HydrophobicContact CG1-CG2 4.45Å
62S31.4Very low35.2Very low104 Ų104133.2 Ų133.273%0.72776%0.76SS**  trans-120.6133175.957.40000111.4
63V29.8Very low34.4Very low128 Ų128137.7 Ų137.778%0.77678%0.779SS**  trans-145.6109.1161.1-160.50000104.4V61V61-V63 HydrophobicContact CG1-CG2 4.45Å
64V27.9Very low33.4Very low130 Ų130135.5 Ų135.579%0.78877%0.773SS**  61.8122.375.2-176.50000112.5
65S33.4Very low32.4Very low101 Ų101135 Ų13571%0.70677%0.772SS**  trans-81.1159.2-170.5-38.30000114.2
66H27.9Very low31.8Very low182 Ų182135.8 Ų135.884%0.84378%0.78SS**  trans-160.693.1145.7-116.4-67.6000114.5
67D26.9Very low31.2Very low123 Ų123135.9 Ų135.966%0.65878%0.775SS**  30131.9123.6-81.6-1.1000124.1
68L32.2Very low30.7Very low159 Ų159136.7 Ų136.783%0.83278%0.775SS**  trans72.9153.2147.2-54.1164.7000116.6
69I26.8Very low30.3Very low159 Ų159137.2 Ų137.282%0.81577%0.773SS**  cis-142.4162.731.8-76.2173.7000111
70A34.2Very low29.8Very low89 Ų89135.4 Ų135.474%0.73676%0.762SS**  trans-103170.5175.300000113.7
71T29.5Very low29.8Very low143 Ų143137.7 Ų137.788%0.87776%0.762SS**  trans-148.2124.2169-18.80000113.6
72D29.1Very low29.7Very low148 Ų148139.2 Ų139.279%0.79176%0.756SS**  trans-58166.5158.1-67.3-44.3000112
73E30.4Very low29.5Very low158 Ų158140.6 Ų140.674%0.73876%0.755SS**  cis-173.3-178.2-12.8-179.7-171-139.900106.4
74L30.6Very low29.4Very low137 Ų137140.4 Ų140.472%0.71775%0.75SS**  trans75.1115.8160.2-49.4173.9000119.4
75M27.2Very low29.5Very low173 Ų173143.3 Ų143.385%0.85275%0.747SS**  170110.7101-81.5-140.8-6500112.1
76V29.2Very low29.3Very low112 Ų112145.2 Ų145.268%0.67974%0.744SS**  77134.896.2-148.50000116.8
77H28.6Very low29.2Very low156 Ų156145.3 Ų145.372%0.72275%0.745SS**  trans68.4130.5174.8-66.2-61.7000118.5
78E28.9Very low29.3Very low153 Ų153142.8 Ų142.872%0.71575%0.748SS**  cis83.6104.220-165.9-170.7-146.200116.1
79E30.6Very low29.1Very low174 Ų174143.4 Ų143.481%0.81375%0.749SS**  trans-168.9127.6130.9-88-137.1103.100105.7
80T27.7Very low29.1Very low97 Ų97143.2 Ų143.260%0.59575%0.746SS**  64.714266.381.30000111.3
81V29.5Very low28.8Very low118 Ų118144.8 Ų144.872%0.71574%0.739SS**  cis-161.3178.8-5.6100.60000109.9
82K32.2Very low28.7Very low179 Ų179147.8 Ų147.878%0.77873%0.734SS**  trans95.2115.8174.4-58.6-178.6-172.9166.90114.6
83N26.7Very low28.6Very low134 Ų134147.9 Ų147.972%0.71773%0.734SS**  83.7144.258.6-74.143000111.3
84D27.3Very low28.3Very low123 Ų123144.2 Ų144.266%0.65873%0.73SS**  cis-146.8-172.813.2-131.3-47.7000113.9
85R31.4Very low28.2Very low192 Ų192145.4 Ų145.473%0.72573%0.732SS**  trans-59.6174.4176.2-54.5143.571.2154.73112.3
86E28.3Very low28.2Very low140 Ų140146 Ų14665%0.65473%0.729SS**  cis-157.4175.520.3-154.8137.4-131.300114.2
87E27Very low28.7Very low185 Ų185147.8 Ų147.886%0.86474%0.735SS**  trans-67.5177.4175.6-45.7172.8141.800113.5
88G28.2Very low28.9Very low70 Ų70146.3 Ų146.372%0.72274%0.739SS**  trans154.280.2153.900000119.6
89M27.7Very low29.3Very low171 Ų171143.8 Ų143.884%0.84274%0.737SS**  trans53.4121.3152.3-57.9-169.1-173.600119.9
90M26.2Very low29.1Very low155 Ų155141.2 Ų141.276%0.76473%0.733SS**  70.8110.255.7-172.1-146.9-172.900113.9
91Q29Very low29.4Very low122 Ų122144 Ų14457%0.5774%0.744SS**  178.8133.4118.5-97173.251.100116.9
92R27.2Very low29.1Very low207 Ų207143.5 Ų143.578%0.78173%0.734SS**  trans82.4146.6134.8-75171177.7163.2-2.6123
93L26.3Very low29.5Very low150 Ų150141.5 Ų141.579%0.78573%0.728SS**  trans62.599159.9-63.9157.2000115.6
94A25.2Very low30.1Very low81 Ų81138.4 Ų138.467%0.66972%0.716SS**  cis69.8114.346.400000115.2
95H27.8Very low30.7Very low161 Ų161137.4 Ų137.475%0.74571%0.714SS**  -176.5148.7109.8-101.1-66.7000114.4
96K27.7Very low30.5Very low185 Ų185133.6 Ų133.680%0.80472%0.717SS**  trans66.488.6150.9-65.6169.9-176.9-1800119.9
97L38.7Very low30.9Very low151 Ų151133 Ų13379%0.79172%0.717SS**  -66.5153.1122.9-94.3164000109.1
98P33Very low31.3Very low124 Ų124131.7 Ų131.781%0.80571%0.708SS**  -145.7163.788.439.3-23.3000116.1
99C37.4Very low31.6Very low100 Ų100135.1 Ų135.168%0.67671%0.705SS**  trans-96146.1169.5-49.50000111.5
100T26.4Very low31.9Very low121 Ų121133.3 Ų133.374%0.74270%0.695SS**  trans-146108.2147.146.10000106.6
101L33.3Very low32Very low156 Ų156133.6 Ų133.682%0.81770%0.699SS**  45.9115.764.3-74.5175.7000113.8
102H24.7Very low32Very low107 Ų107135.9 Ų135.950%0.49571%0.707SS.*  trans-151136.3139.7-157-89.9000114.2I768H102-I768 VanDerWaalsContact CE1-CB 3.42Å; H102-I768 WeakPolarHBondContact CE1-CB 3.49Å; H102-I768 VanDerWaalsContact NE2-CB 3.32Å; H102-I768 WeakPolarHBondContact NE2-CB 3.47Å; H102-I768 VanDerWaalsContact NE2-CG2 3.26Å; H102-I768 WeakPolarHBondContact NE2-CG2 3.43Å
103M40.7Very low32.2Very low136 Ų136133.3 Ų133.367%0.6771%0.708SS**  trans-144.9141.1176-86.6-97.673.800109.3
104P39.6Very low32.2Very low70 Ų70131.5 Ų131.546%0.45571%0.707SS.*  -138.7143123.434.5-19.7000111.2I768P104-I768 HydrophobicContact CB-CD1 3.95Å; P104-I768 HydrophobicContact CG-CD1 3.88Å; P104-I768 HydrophobicContact CG-CG1 4.27Å
105V39.3Very low32.4Very low101 Ų101132.3 Ų132.361%0.61271%0.708SS**  cis76.2103.137.3-176.10000114.7I107V105-I107 HydrophobicContact CG1-CD1 3.95Å; V105-I107 HydrophobicContact CG1-CG1 3.95Å
106S27.1Very low32.3Very low113 Ų113131.9 Ų131.979%0.7971%0.711SS**  trans-148.2124.1134.3-75.80000106.7
107I37.1Very low33.6Very low128 Ų128128 Ų12866%0.65671%0.705SS**  76118.357.3-66.8174.3000109.7V105V105-I107 HydrophobicContact CG1-CD1 3.95Å; V105-I107 HydrophobicContact CG1-CG1 3.95Å
108K35.1Very low33.2Very low156 Ų156128.2 Ų128.268%0.67871%0.706SS**  cis-168.6162.11.8-119.4-175.4-171.4-172.30112.8
109Q33.5Very low33.1Very low142 Ų142129.5 Ų129.566%0.66470%0.703SS**  trans71.6150.4139.9-73.6-172-67.400121.4
110E35.4Very low33Very low134 Ų134131.3 Ų131.363%0.62671%0.706SS**  cis-146.8170.1-18.3-79.1-119.9151.800106.9
111L27.8Very low33.1Very low160 Ų160129.1 Ų129.184%0.83871%0.707SS**  cis-143.3179.638.6-85.1165000113.2
112K29.6Very low33.2Very low170 Ų170130.7 Ų130.774%0.73971%0.707SS**  trans-157.7165.4-152.1-150.6177.7-171.4175.80111.9
113L30.4Very low33.5Very low154 Ų154134.4 Ų134.481%0.80672%0.722SS**  trans75160.1164.1-55.8170.7000116.7
114S27.5Very low33Very low111 Ų111135 Ų13578%0.77672%0.723SS**  cis-174.1-178.8-3657.90000107.8
115S27.5Very low32.8Very low99 Ų99142.7 Ų142.769%0.69274%0.743SS**  trans-125.2139.2-177.854.70000114.6
116D27.3Very low32.5Very low151 Ų151147.6 Ų147.681%0.80776%0.756SS**  trans67.2161.9154.4-64.7-20.5000120
117P53.4Low32.8Very low104 Ų104150.7 Ų150.768%0.67576%0.758SS**  cis-134.9-170.1-15.824.70.1000115.4
118L30.5Very low32.8Very low155 Ų155149.7 Ų149.781%0.81276%0.76SS**  trans84.3154.2160.9-47-175.9000117.1
119M32.7Very low32.5Very low151 Ų151153.4 Ų153.474%0.74477%0.77SS**  cis-162.2167.1-13.5-115.7-63.7-133.800114.4
120L35.3Very low32.3Very low139 Ų139154.2 Ų154.273%0.72878%0.778SS**  trans42.3117.5154.4-88.3167.1000123.7
121G27.4Very low32.2Very low74 Ų74154.8 Ų154.876%0.76379%0.785SS**  trans-152.5154.2156.400000110.4
122K34.5Very low32.4Very low190 Ų190153.9 Ų153.983%0.82679%0.786SS**  trans-118.5150.2-165-64.8174.1-178169.20114.7
123K31.9Very low32.5Very low185 Ų185151.7 Ų151.780%0.80479%0.787SS**  trans71.3155.9151.9-100.4-174.9162.9-142.50116.3
124E30.8Very low32.4Very low147 Ų147151.4 Ų151.469%0.68778%0.782SS**  cis-132171.37.5-74.4-147.6130.600114.7
125R35.6Very low32.2Very low232 Ų232151.7 Ų151.788%0.87578%0.782SS**  trans-70.4148.9168.6-73169.1156.8171.4-8.1112.6
126K31.6Very low32.4Very low205 Ų205153.4 Ų153.489%0.89178%0.779SS**  trans-152.3143.4134.2-108.1146.9-173.2166.20110.8
127Q33.4Very low32.7Very low178 Ų178155.2 Ų155.283%0.83278%0.78SS**  trans-87.5172-173.4-88.6-75.371.900111.4
128P38.7Very low31.6Very low106 Ų106159.2 Ų159.269%0.68879%0.787SS**  trans-85.4177.2-148.336.1-38.9000114.3
129R26.8Very low31.8Very low235 Ų235161.2 Ų161.289%0.88779%0.789SS**  trans-129.4130.1157.3-69.8-172.2175.9-163.9-1.9109.3L131R129-L131 PolarHBondContact O-N 3.47Å
130D30.1Very low31.7Very low159 Ų159165.3 Ų165.385%0.8580%0.796SS**  trans-61.3125.6167.8-65.4-76.2000110.4
131L34.1Very low31.5Very low146 Ų146167.5 Ų167.576%0.76480%0.8SS**  trans-132.895.7161.1-89.8173.4000108.5R129 T133R129-L131 PolarHBondContact O-N 3.47Å; L131-T133 PolarHBondContact O-N 3.17Å; L131-T133 PolarHBondContact O-OG1 3.4Å
132T32.2Very low32Very low141 Ų141171.4 Ų171.487%0.86580%0.798SS**  trans-58.679.1166.235.30000110.3E134T132-E134 PolarHBondContact O-N 3.32Å; T132-E134 VanDerWaalsContact O-N 3.15Å
133T30.3Very low31.9Very low124 Ų124173.8 Ų173.876%0.76180%0.802SS**  trans-80.693.7170.734.10000108.2L131 C135L131-T133 PolarHBondContact O-N 3.17Å; L131-T133 PolarHBondContact O-OG1 3.4Å; T133-C135 PolarHBondContact O-N 3.28Å; T133-C135 VanDerWaalsContact O-N 3.15Å
134E28Very low32.1Very low148 Ų148169.6 Ų169.669%0.69280%0.796SS**  trans-48.5126.6163-78.3-152.3153.800108.7T132 H136T132-E134 PolarHBondContact O-N 3.32Å; T132-E134 VanDerWaalsContact O-N 3.15Å; E134-H136 PolarHBondContact O-N 3.44Å; E134-H136 IonicContact OE2-CE1 3.61Å; E134-H136 PolarHBondContact OE2-CE1 3.19Å; E134-H136 IonicContact OE2-ND1 2.91Å; E134-H136 PolarHBondContact OE2-ND1 3.44Å; E134-H136 VanDerWaalsContact OE2-ND1 3.08Å
135C24.1Very low32.5Very low116 Ų116167.8 Ų167.878%0.78480%0.797SS**  trans-72.174.5165.3-1690000108.2T133 K137T133-C135 PolarHBondContact O-N 3.28Å; T133-C135 VanDerWaalsContact O-N 3.15Å; C135-K137 VanDerWaalsContact C-N 3.32Å; C135-K137 PolarHBondContact O-N 3.44Å
136H30.7Very low32.5Very low136 Ų136160.8 Ų160.863%0.6379%0.789SS**  trans-52102.9163.7-77.6-15.1000106.8E134 K138E134-H136 PolarHBondContact O-N 3.44Å; E134-H136 IonicContact OE2-CE1 3.61Å; E134-H136 PolarHBondContact OE2-CE1 3.19Å; E134-H136 IonicContact OE2-ND1 2.91Å; E134-H136 PolarHBondContact OE2-ND1 3.44Å; E134-H136 VanDerWaalsContact OE2-ND1 3.08Å; H136-K138 PolarHBondContact O-N 3.33Å
137K34.3Very low33.1Very low188 Ų188158.5 Ų158.582%0.81778%0.779SS**  trans-66.275.7172.3-71172-177.7167.40107.8C135 K139C135-K137 VanDerWaalsContact C-N 3.32Å; C135-K137 PolarHBondContact O-N 3.44Å; K137-K139 PolarHBondContact O-N 3Å
138K30.1Very low33.8Very low188 Ų188156.9 Ų156.982%0.81777%0.774SS**  trans-53.995163.8-76.1-178.1179.3175.10104.9H136 R140H136-K138 PolarHBondContact O-N 3.33Å; K138-R140 VanDerWaalsContact C-N 3.27Å; K138-R140 PolarHBondContact O-N 3.43Å
139K35Very low33.9Very low197 Ų197157 Ų15786%0.85777%0.769SS**  trans-55.2101.4173.4-73.7-179.9179.2176.10104.8K137 K141K137-K139 PolarHBondContact O-N 3Å; K139-K141 PolarHBondContact O-N 3.03Å
140R31.3Very low35Very low238 Ų238150.1 Ų150.190%0.89875%0.753SS**  trans-63.984.3165.8-178.9176.5177.9172.7-0.9104.2K138 Q142K138-R140 VanDerWaalsContact C-N 3.27Å; K138-R140 PolarHBondContact O-N 3.43Å; R140-Q142 PolarHBondContact O-N 3.24Å
141K31.6Very low36.1Very low185 Ų185148.5 Ų148.580%0.80474%0.743SS**  trans-43.6118.2160.7-73.1-176.4177.2-179.10103K139 R143K139-K141 PolarHBondContact O-N 3.03Å; K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 3.41Å
142Q36Very low36.8Very low155 Ų155143.5 Ų143.572%0.72472%0.717SS**  trans-55.9116.1159.6-69.9-162.57.800103.4R140 S144R140-Q142 PolarHBondContact O-N 3.24Å; Q142-S144 PolarHBondContact O-N 3.34Å
143R33.7Very low38Very low240 Ų240146.9 Ų146.991%0.90672%0.723SS**  trans-57.8106.5156.6-90.4-170.7170.8-163.5-1.8102.7K141K141-R143 VanDerWaalsContact C-N 3.33Å; K141-R143 PolarHBondContact O-N 3.41Å
144S35.7Very low39.3Very low97 Ų97146.5 Ų146.568%0.67872%0.716SS**  trans-40.5130.1157.2-42.60000105.7Q142 A146Q142-S144 PolarHBondContact O-N 3.34Å; S144-A146 PolarHBondContact O-N 3.32Å
145P38.3Very low40.5Very low109 Ų109141.9 Ų141.971%0.70871%0.709SS**  trans-46125.9173.5-27.735.1000107.6K147P145-K147 PolarHBondContact O-N 3.02Å
146A35.7Very low42.1Very low86 Ų86139 Ų13971%0.71169%0.69SS**  trans-54.5123.5-177.800000106.5S144 I148S144-A146 PolarHBondContact O-N 3.32Å; A146-I148 PolarHBondContact O-N 3.44Å
147K44.7Very low43.1Very low157 Ų157138.3 Ų138.368%0.68369%0.69SS**  trans-70.483.7178-73.5-179.7167.8-168.90107.1P145 L149 L159P145-K147 PolarHBondContact O-N 3.02Å; K147-L149 PolarHBondContact O-N 2.98Å; K147-L159 HydrophobicContact CD-CD1 4.13Å
148I47.7Very low43.4Very low143 Ų143131.2 Ų131.273%0.73367%0.67SS**  trans-62.2107.8168.6-58.9175.6000104.8A146 T150A146-I148 PolarHBondContact O-N 3.44Å; I148-T150 HydrophobicContact CG2-CG2 4.13Å; I148-T150 PolarHBondContact O-N 3.22Å
149L41.8Very low44.2Very low109 Ų109127.7 Ų127.757%0.57166%0.66SS**  trans-76.583.1174.1-68.8171.6000107.4K147 I151K147-L149 PolarHBondContact O-N 2.98Å; L149-I151 PolarHBondContact O-N 2.9Å
150T48.6Very low44.8Very low90 Ų90124.6 Ų124.655%0.55265%0.648SS**PPolyproline II helixtrans-67119.5163.549.40000107.9I148 N152I148-T150 HydrophobicContact CG2-CG2 4.13Å; I148-T150 PolarHBondContact O-N 3.22Å; T150-N152 PolarHBondContact O-N 3.09Å
151I53.3Low45.9Very low126 Ų126117.3 Ų117.365%0.64663%0.634SS**PPolyproline II helixtrans-68.1125171.3-60168.1000106.5L149L149-I151 PolarHBondContact O-N 2.9Å
152N49.8Very low47.5Very low40 Ų40113.3 Ų113.321%0.21463%0.627CS.*PPolyproline II helixtrans-76.7159.9170.2-50.3-77.1000108.5T150 D154 G155 S156 Q160T150-N152 PolarHBondContact O-N 3.09Å; N152-D154 WeakPolarHBondContact CB-OD1 3.49Å; N152-D154 PolarHBondContact O-N 3.17Å; N152-G155 PolarHBondContact O-N 2.91Å; N152-S156 PolarHBondContact ND2-O 3.42Å; N152-Q160 PolarHBondContact OD1-NE2 3.32Å
153E57.1Low48.9Very low213 Ų213114 Ų114100%0.99563%0.627SS**THydrogen-bonded Turntrans-65.4-12.7-171.3-60.6178.3135.900114.3G155E153-G155 VanDerWaalsContact C-N 3.34Å
154D57.8Low51.3Low115 Ų115106 Ų10662%0.61561%0.608SS**THydrogen-bonded Turntrans-85.60171.674.8-28.6000114N152 S156N152-D154 WeakPolarHBondContact CB-OD1 3.49Å; N152-D154 PolarHBondContact O-N 3.17Å; D154-S156 VanDerWaalsContact CG-OG 3.29Å; D154-S156 PolarHBondContact O-N 3.07Å; D154-S156 VanDerWaalsContact OD1-CB 3.3Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.89Å; D154-S156 WeakPolarHBondContact OD2-CB 3.42Å; D154-S156 PolarHBondContact OD2-OG 3.39Å
155G54Low53.6Low52 Ų52104.5 Ų104.554%0.53659%0.59SS.*  trans76.9-0.7-175.900000114.9N152 E153N152-G155 PolarHBondContact O-N 2.91Å; E153-G155 VanDerWaalsContact C-N 3.34Å
156S57.2Low56Low56 Ų56102.8 Ų102.839%0.39258%0.577SS.*  trans-77.2130.3-176.9-65.90000111.9N152 D154 G158N152-S156 PolarHBondContact ND2-O 3.42Å; D154-S156 VanDerWaalsContact CG-OG 3.29Å; D154-S156 PolarHBondContact O-N 3.07Å; D154-S156 VanDerWaalsContact OD1-CB 3.3Å; D154-S156 WeakPolarHBondContact OD1-CB 3.43Å; D154-S156 PolarHBondContact OD1-N 2.89Å; D154-S156 WeakPolarHBondContact OD2-CB 3.42Å; D154-S156 PolarHBondContact OD2-OG 3.39Å; S156-G158 PolarHBondContact O-N 3.2Å
157L50.7Low58.7Low121 Ų12198.7 Ų98.763%0.63454%0.543SS*.  trans-74.851.3169.8-65.4179000112L159L157-L159 PolarHBondContact O-N 3.31Å
158G40.9Very low60.8Low39 Ų3994.8 Ų94.840%0.40255%0.547SS..  trans-66.6121.1177.300000111.1S156 Q160S156-G158 PolarHBondContact O-N 3.2Å; G158-Q160 VanDerWaalsContact C-N 3.31Å; G158-Q160 PolarHBondContact O-N 3.37Å
159L47.5Very low62.7Low113 Ų11393.8 Ų93.859%0.59254%0.539SS*.  trans-74.584.6175.2-150.798.1000109.3K147 L157 S161K147-L159 HydrophobicContact CD-CD1 4.13Å; L157-L159 PolarHBondContact O-N 3.31Å; L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.2Å
160Q48.3Very low65Low132 Ų13291.4 Ų91.462%0.61753%0.531SS*.  trans-60.897.5171.4-70.2-155.841.400109N152 G158N152-Q160 PolarHBondContact OD1-NE2 3.32Å; G158-Q160 VanDerWaalsContact C-N 3.31Å; G158-Q160 PolarHBondContact O-N 3.37Å
161S54.5Low66.9Low86 Ų8693.3 Ų93.360%0.60154%0.538SS*.  trans-57.5132.6171.155.20000108.4L159 K163L159-S161 VanDerWaalsContact C-N 3.33Å; L159-S161 PolarHBondContact O-N 3.2Å; S161-K163 PolarHBondContact O-N 2.9Å; S161-K163 VanDerWaalsContact O-N 3.14Å
162P64Low68.6Low100 Ų10088.7 Ų88.765%0.64952%0.519SS*.  trans-56.6125.9-179.825.4-34000108.7C164P162-C164 PolarHBondContact O-N 2.89Å; P162-C164 PolarHBondContact O-SG 3.03Å; P162-C164 VanDerWaalsContact O-SG 3.4Å
163K66.6Low70.6Confident169 Ų16990 Ų9074%0.73554%0.535SS*.  trans-53.7100-168.3-68.3178.9179.11770110.7S161 H165S161-K163 PolarHBondContact O-N 2.9Å; S161-K163 VanDerWaalsContact O-N 3.14Å; K163-H165 PolarHBondContact O-CD2 2.99Å; K163-H165 PolarHBondContact O-N 2.8Å
164C82.7Confident72.2Confident74 Ų7482 Ų8250%0.550%0.497SS..  trans-77.9117.5-177.2-79.90000109.5P162 V166 A173P162-C164 PolarHBondContact O-N 2.89Å; P162-C164 PolarHBondContact O-SG 3.03Å; P162-C164 VanDerWaalsContact O-SG 3.4Å; C164-V166 PolarHBondContact O-N 3.05Å; C164-A173 HydrophobicContact CB-CB 4.27Å
165H85Confident73.7Confident65 Ų6586 Ų8630%0.30150%0.503SS..EExtended strand (participates in β ladder)trans-83105.5174.1-66.5-86.1000108.6K163 F174 N177 L180K163-H165 PolarHBondContact O-CD2 2.99Å; K163-H165 PolarHBondContact O-N 2.8Å; H165-F174 PolarHBondContact N-O 3.44Å; H165-F174 PolarHBondContact O-N 3.24Å; H165-N177 PolarHBondContact CD2-N 2.92Å; H165-N177 PolarHBondContact NE2-N 3.09Å; H165-L180 HydrophobicContact CB-CB 3.91Å; H165-L180 HydrophobicContact CB-CD2 3.75Å; H165-L180 HydrophobicContact CB-CG 4.46Å
166V88.6Confident75.4Confident73 Ų7386.3 Ų86.344%0.44250%0.495SS..EExtended strand (participates in β ladder)trans-90.9138.7-176.1-177.50000110.7C164 N171 A172 A173 L180C164-V166 PolarHBondContact O-N 3.05Å; V166-N171 HydrophobicContact CG1-CB 4.35Å; V166-A172 CarbonylContact C-O 3.59Å; V166-A172 WeakPolarHBondContact CA-O 3.47Å; V166-A173 HydrophobicContact CG2-CB 4.23Å; V166-L180 WeakPolarHBondContact O-CD2 3.37Å
167C91.7Very high76.9Confident0 Ų087.9 Ų87.90%050%0.499CS..  trans-81.7121.2175.2-174.30000111.9H169 C170 N171 A172 F174 L180 H183C167-H169 PolarHBondContact O-N 2.76Å; C167-C170 PolarHBondContact O-N 3.23Å; C167-N171 VanDerWaalsContact O-CA 3.23Å; C167-N171 WeakPolarHBondContact O-CA 3.2Å; C167-N171 PolarHBondContact O-N 3.49Å; C167-A172 HydrophobicContact CB-CB 4.48Å; C167-A172 PolarHBondContact N-O 3.46Å; C167-F174 HydrophobicContact CB-CE2 4.29Å; C167-L180 VanDerWaalsContact CA-CD1 3.44Å; C167-L180 HydrophobicContact CB-CD1 3.5Å; C167-L180 VanDerWaalsContact CB-CD1 3.5Å; C167-H183 VanDerWaalsContact SG-CD2 3.57Å
168G88.2Confident78.7Confident74 Ų7488.7 Ų88.776%0.76349%0.494SS*.THydrogen-bonded Turntrans-62.3-21.1178.200000115.1
169H87.6Confident81Confident122 Ų12290.7 Ų90.757%0.56549%0.493SS*.THydrogen-bonded Turntrans-85.6-24-178.5-57.8-72000114.3C167 H187C167-H169 PolarHBondContact O-N 2.76Å; H169-H187 HydrophobicContact CB-CB 4.14Å; H169-H187 AromaticContact CD2-CG 3.94Å; H169-H187 AromaticContact CG-CG 3.88Å
170C91.1Very high83.1Confident60 Ų6086.3 Ų86.341%0.40547%0.47SS..THydrogen-bonded Turntrans-148.88.4-175700000115.2C167 A172 H183C167-C170 PolarHBondContact O-N 3.23Å; C170-A172 PolarHBondContact O-N 3Å; C170-A172 VanDerWaalsContact SG-CB 3.58Å; C170-H183 PolarHBondContact SG-NE2 2.93Å
171N88.8Confident85Confident129 Ų12984.9 Ų84.969%0.6946%0.464SS*.  trans56.716.6-178.5-62.2-49.8000115.9V166 C167 A173V166-N171 HydrophobicContact CG1-CB 4.35Å; C167-N171 VanDerWaalsContact O-CA 3.23Å; C167-N171 WeakPolarHBondContact O-CA 3.2Å; C167-N171 PolarHBondContact O-N 3.49Å; N171-A173 PolarHBondContact O-N 3.4Å
172A89.6Confident86.6Confident30 Ų3084.4 Ų84.425%0.24845%0.449CS..  trans-66.8127.9173.800000111.4V166 C167 C170 F174V166-A172 CarbonylContact C-O 3.59Å; V166-A172 WeakPolarHBondContact CA-O 3.47Å; C167-A172 HydrophobicContact CB-CB 4.48Å; C167-A172 PolarHBondContact N-O 3.46Å; C170-A172 PolarHBondContact O-N 3Å; C170-A172 VanDerWaalsContact SG-CB 3.58Å; A172-F174 HydrophobicContact CB-CE2 3.64Å; A172-F174 HydrophobicContact CB-CZ 3.83Å; A172-F174 WeakPolarHBondContact O-CD2 3.49Å; A172-F174 VanDerWaalsContact O-CE2 3.32Å; A172-F174 WeakPolarHBondContact O-CE2 3.49Å
173A91.3Very high87.8Confident66 Ų6680.3 Ų80.355%0.54542%0.421SS..EExtended strand (participates in β ladder)trans-98.6123.6-176.500000112.7C164 V166 N171C164-A173 HydrophobicContact CB-CB 4.27Å; V166-A173 HydrophobicContact CG2-CB 4.23Å; N171-A173 PolarHBondContact O-N 3.4Å
174F90.9Very high88.9Confident47 Ų4774.1 Ų74.121%0.20640%0.397CS..EExtended strand (participates in β ladder)trans-113.5146.5-178.4-60.1-84.9000112.2H165 C167 A172 T176 H179 L180 H183H165-F174 PolarHBondContact N-O 3.44Å; H165-F174 PolarHBondContact O-N 3.24Å; C167-F174 HydrophobicContact CB-CE2 4.29Å; A172-F174 HydrophobicContact CB-CE2 3.64Å; A172-F174 HydrophobicContact CB-CZ 3.83Å; A172-F174 WeakPolarHBondContact O-CD2 3.49Å; A172-F174 VanDerWaalsContact O-CE2 3.32Å; A172-F174 WeakPolarHBondContact O-CE2 3.49Å; F174-T176 PolarHBondContact O-N 2.22Å; F174-H179 HydrophobicContact CB-CB 4.03Å; F174-H179 HydrophobicContact CD1-CB 4.02Å; F174-H179 HydrophobicContact CG-CB 4.3Å; F174-L180 HydrophobicContact CB-CB 4.22Å; F174-L180 HydrophobicContact CD2-CB 3.95Å; F174-L180 HydrophobicContact CD2-CD1 3.93Å; F174-L180 HydrophobicContact CE2-CD1 4.18Å; F174-L180 HydrophobicContact CG-CB 4.3Å; F174-H183 HydrophobicContact CE1-CB 4.1Å; F174-H183 HydrophobicContact CE2-CB 3.9Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.22Å; F174-H183 AromaticContact CE2-CG 3.65Å; F174-H183 HydrophobicContact CZ-CB 3.56Å; F174-H183 AromaticContact CZ-CD2 3.45Å; F174-H183 VanDerWaalsContact CZ-CD2 3.45Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.02Å; F174-H183 AromaticContact CZ-CG 3.29Å; F174-H183 AromaticContact CZ-ND1 3.79Å; F174-H183 AromaticContact CZ-NE2 4Å
175R89Confident89.3Confident198 Ų19872.7 Ų72.775%0.74738%0.382SS*.SBendtrans-73.3-8.5-177.3-63.7-176.9-179.1177.10.5114.9
176T89.3Confident89.5Confident59 Ų5974.2 Ų74.236%0.36239%0.392SS..SBendtrans-155.6147.3-174.661.10000109.7F174 Y178 H179 L180F174-T176 PolarHBondContact O-N 2.22Å; T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 2.95Å; T176-H179 PolarHBondContact O-N 3.25Å; T176-H179 WeakPolarHBondContact OG1-CB 3.41Å; T176-H179 PolarHBondContact OG1-N 3.18Å; T176-H179 PolarHBondContact OG1-ND1 3.17Å; T176-L180 PolarHBondContact O-N 3.38Å
177N89.3Confident89.5Confident88 Ų8874.4 Ų74.447%0.47139%0.388SS..Hα-helixtrans-54.9-44.7176.1-176.8-78000113H165 H179 L180 Q181H165-N177 PolarHBondContact CD2-N 2.92Å; H165-N177 PolarHBondContact NE2-N 3.09Å; N177-H179 VanDerWaalsContact C-N 3.3Å; N177-H179 PolarHBondContact O-N 2.64Å; N177-L180 CarbonylContact O-C 3.54Å; N177-L180 WeakPolarHBondContact O-CA 3.19Å; N177-L180 WeakPolarHBondContact O-CB 3.32Å; N177-L180 PolarHBondContact O-N 2.88Å; N177-Q181 PolarHBondContact O-N 2.9Å
178Y87.9Confident89.3Confident138 Ų13877.4 Ų77.454%0.54141%0.406SS..Hα-helixtrans-52.2-43.3178175.3-99.5000113.8T176 Q181 R182T176-Y178 VanDerWaalsContact C-N 3.35Å; T176-Y178 PolarHBondContact O-N 2.95Å; Y178-Q181 PolarHBondContact O-N 3.11Å; Y178-R182 WeakPolarHBondContact O-CB 3.47Å; Y178-R182 PolarHBondContact O-N 2.72Å
179H89.9Confident89.3Confident81 Ų8176.3 Ų76.338%0.37540%0.395SS..Hα-helixtrans-68.7-32.9176.9-77.981000112.7F174 T176 N177 R182 H183F174-H179 HydrophobicContact CB-CB 4.03Å; F174-H179 HydrophobicContact CD1-CB 4.02Å; F174-H179 HydrophobicContact CG-CB 4.3Å; T176-H179 PolarHBondContact O-N 3.25Å; T176-H179 WeakPolarHBondContact OG1-CB 3.41Å; T176-H179 PolarHBondContact OG1-N 3.18Å; T176-H179 PolarHBondContact OG1-ND1 3.17Å; N177-H179 VanDerWaalsContact C-N 3.3Å; N177-H179 PolarHBondContact O-N 2.64Å; H179-R182 PolarHBondContact CD2-NH2 2.81Å; H179-H183 WeakPolarHBondContact O-CB 3.4Å; H179-H183 PolarHBondContact O-N 2.73Å
180L90.8Very high89.3Confident22 Ų2275.5 Ų75.512%0.11539%0.391CS..Hα-helixtrans-68.2-51.7171.3168.361.2000110.9H165 V166 C167 F174 T176 N177 R182 H183 V184H165-L180 HydrophobicContact CB-CB 3.91Å; H165-L180 HydrophobicContact CB-CD2 3.75Å; H165-L180 HydrophobicContact CB-CG 4.46Å; V166-L180 WeakPolarHBondContact O-CD2 3.37Å; C167-L180 VanDerWaalsContact CA-CD1 3.44Å; C167-L180 HydrophobicContact CB-CD1 3.5Å; C167-L180 VanDerWaalsContact CB-CD1 3.5Å; F174-L180 HydrophobicContact CB-CB 4.22Å; F174-L180 HydrophobicContact CD2-CB 3.95Å; F174-L180 HydrophobicContact CD2-CD1 3.93Å; F174-L180 HydrophobicContact CE2-CD1 4.18Å; F174-L180 HydrophobicContact CG-CB 4.3Å; T176-L180 PolarHBondContact O-N 3.38Å; N177-L180 CarbonylContact O-C 3.54Å; N177-L180 WeakPolarHBondContact O-CA 3.19Å; N177-L180 WeakPolarHBondContact O-CB 3.32Å; N177-L180 PolarHBondContact O-N 2.88Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.47Å; L180-H183 CarbonylContact O-C 3.23Å; L180-H183 WeakPolarHBondContact O-CA 3.26Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-N 3.1Å; L180-V184 HydrophobicContact CD1-CG2 3.87Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 3.08Å
181Q88.4Confident89.3Confident102 Ų10277.2 Ų77.248%0.47739%0.392SS..Hα-helixtrans-56.8-45.4-178-171.6-177.115.300111.4N177 Y178 H183 V184 F185N177-Q181 PolarHBondContact O-N 2.9Å; Y178-Q181 PolarHBondContact O-N 3.11Å; Q181-H183 PolarHBondContact O-N 2.79Å; Q181-V184 WeakPolarHBondContact O-CB 3.39Å; Q181-V184 PolarHBondContact O-N 2.82Å; Q181-V184 VanDerWaalsContact O-N 3.12Å; Q181-F185 HydrophobicContact CG-CE2 4.32Å; Q181-F185 HydrophobicContact CG-CZ 4.13Å; Q181-F185 PolarHBondContact O-N 3.15Å
182R88.4Confident89.2Confident76 Ų7674.3 Ų74.329%0.28738%0.38SS..Hα-helixtrans-58.6-35173.1-179.1178.865.1-172.11.2113.2Y178 H179 L180 I203 Q204Y178-R182 WeakPolarHBondContact O-CB 3.47Å; Y178-R182 PolarHBondContact O-N 2.72Å; H179-R182 PolarHBondContact CD2-NH2 2.81Å; L180-R182 VanDerWaalsContact C-N 3.31Å; L180-R182 PolarHBondContact O-N 3.47Å; R182-I203 HydrophobicContact CG-CG2 4.12Å; R182-Q204 HydrophobicContact CG-CG 4.26Å
183H89.6Confident89.2Confident13 Ų1376.3 Ų76.36%0.0638%0.383CS..Hα-helixtrans-77.1-31.1177.1172.273000112.4C167 C170 F174 H179 L180 Q181 F185 I186 H187C167-H183 VanDerWaalsContact SG-CD2 3.57Å; C170-H183 PolarHBondContact SG-NE2 2.93Å; F174-H183 HydrophobicContact CE1-CB 4.1Å; F174-H183 HydrophobicContact CE2-CB 3.9Å; F174-H183 AromaticContact CE2-CD2 3.36Å; F174-H183 WeakPolarHBondContact CE2-CD2 3.22Å; F174-H183 AromaticContact CE2-CG 3.65Å; F174-H183 HydrophobicContact CZ-CB 3.56Å; F174-H183 AromaticContact CZ-CD2 3.45Å; F174-H183 VanDerWaalsContact CZ-CD2 3.45Å; F174-H183 WeakPolarHBondContact CZ-CD2 3.02Å; F174-H183 AromaticContact CZ-CG 3.29Å; F174-H183 AromaticContact CZ-ND1 3.79Å; F174-H183 AromaticContact CZ-NE2 4Å; H179-H183 WeakPolarHBondContact O-CB 3.4Å; H179-H183 PolarHBondContact O-N 2.73Å; L180-H183 CarbonylContact O-C 3.23Å; L180-H183 WeakPolarHBondContact O-CA 3.26Å; L180-H183 WeakPolarHBondContact O-CB 3.42Å; L180-H183 PolarHBondContact O-N 3.1Å; Q181-H183 PolarHBondContact O-N 2.79Å; H183-F185 VanDerWaalsContact C-N 3.29Å; H183-F185 PolarHBondContact O-N 3.04Å; H183-I186 VanDerWaalsContact O-CB 3.3Å; H183-I186 WeakPolarHBondContact O-CB 3.41Å; H183-I186 PolarHBondContact O-N 2.84Å; H183-H187 AromaticContact CD2-NE2 3.74Å; H183-H187 AromaticContact CE1-NE2 3.36Å; H183-H187 PolarHBondContact CE1-NE2 2.85Å; H183-H187 AromaticContact NE2-CD2 3.71Å; H183-H187 AromaticContact NE2-NE2 2.95Å; H183-H187 PolarHBondContact NE2-NE2 3Å; H183-H187 PolarHBondContact O-CD2 2.89Å
184V89.4Confident89.3Confident39 Ų3978 Ų7824%0.23638%0.38CS..Hα-helixtrans-61.4-37.6172.1172.60000111L180 Q181 I186 H187 T188L180-V184 HydrophobicContact CD1-CG2 3.87Å; L180-V184 HydrophobicContact CG-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.42Å; L180-V184 PolarHBondContact O-N 3.08Å; Q181-V184 WeakPolarHBondContact O-CB 3.39Å; Q181-V184 PolarHBondContact O-N 2.82Å; Q181-V184 VanDerWaalsContact O-N 3.12Å; V184-I186 PolarHBondContact O-N 3.28Å; V184-H187 WeakPolarHBondContact O-CA 3.45Å; V184-H187 PolarHBondContact O-N 3.33Å; V184-T188 HydrophobicContact CG1-CG2 3.94Å; V184-T188 PolarHBondContact O-N 2.82Å; V184-T188 PolarHBondContact O-OG1 3.5Å
185F91.3Very high89.4Confident44 Ų4476.1 Ų76.119%0.19337%0.372CS..Hα-helixtrans-58.6-18.3172.4-63.1-36.6000114.8Q181 H183 T188 G189 E190 P192 I203Q181-F185 HydrophobicContact CG-CE2 4.32Å; Q181-F185 HydrophobicContact CG-CZ 4.13Å; Q181-F185 PolarHBondContact O-N 3.15Å; H183-F185 VanDerWaalsContact C-N 3.29Å; H183-F185 PolarHBondContact O-N 3.04Å; F185-T188 WeakPolarHBondContact CA-OG1 3.33Å; F185-G189 WeakPolarHBondContact O-CA 3.46Å; F185-G189 PolarHBondContact O-N 2.92Å; F185-E190 HydrophobicContact CD1-CB 3.95Å; F185-E190 PolarHBondContact O-N 3.48Å; F185-P192 HydrophobicContact CE2-CG 4.38Å; F185-P192 HydrophobicContact CZ-CG 4.47Å; F185-I203 HydrophobicContact CB-CG2 3.71Å; F185-I203 HydrophobicContact CD2-CG2 3.9Å; F185-I203 HydrophobicContact CG-CG2 4.28Å
186I88.8Confident89.5Confident98 Ų9871.7 Ų71.750%0.50337%0.372SS..Hα-helixtrans-77-32.4172.5-52.3176.2000110.6H183 V184 I203H183-I186 VanDerWaalsContact O-CB 3.3Å; H183-I186 WeakPolarHBondContact O-CB 3.41Å; H183-I186 PolarHBondContact O-N 2.84Å; V184-I186 PolarHBondContact O-N 3.28Å; I186-I203 HydrophobicContact CG1-CD1 4.21Å
187H88.3Confident89.5Confident77 Ų7774.1 Ų74.136%0.35638%0.379SS..Hα-helixtrans-83.7-39.1177.6-62.7-78.2000112.8H169 H183 V184 G189H169-H187 HydrophobicContact CB-CB 4.14Å; H169-H187 AromaticContact CD2-CG 3.94Å; H169-H187 AromaticContact CG-CG 3.88Å; H183-H187 AromaticContact CD2-NE2 3.74Å; H183-H187 AromaticContact CE1-NE2 3.36Å; H183-H187 PolarHBondContact CE1-NE2 2.85Å; H183-H187 AromaticContact NE2-CD2 3.71Å; H183-H187 AromaticContact NE2-NE2 2.95Å; H183-H187 PolarHBondContact NE2-NE2 3Å; H183-H187 PolarHBondContact O-CD2 2.89Å; V184-H187 WeakPolarHBondContact O-CA 3.45Å; V184-H187 PolarHBondContact O-N 3.33Å; H187-G189 VanDerWaalsContact C-N 3.29Å
188T87.1Confident89.7Confident63 Ų6371.6 Ų71.639%0.38737%0.368SS..Hα-helixtrans-78.3-15.8177.161.60000112.7V184 F185 E190V184-T188 HydrophobicContact CG1-CG2 3.94Å; V184-T188 PolarHBondContact O-N 2.82Å; V184-T188 PolarHBondContact O-OG1 3.5Å; F185-T188 WeakPolarHBondContact CA-OG1 3.33Å; T188-E190 WeakPolarHBondContact CB-OE2 3.4Å; T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 WeakPolarHBondContact OG1-CB 3.12Å; T188-E190 VanDerWaalsContact OG1-CD 3.32Å; T188-E190 VanDerWaalsContact OG1-CG 3.32Å; T188-E190 WeakPolarHBondContact OG1-CG 3.16Å; T188-E190 PolarHBondContact OG1-N 3.3Å; T188-E190 PolarHBondContact OG1-OE2 3.45Å
189G88.1Confident89.8Confident50 Ų5071.7 Ų71.752%0.51538%0.377SS..  trans68.26.7-173.200000113.6F185 H187 K191F185-G189 WeakPolarHBondContact O-CA 3.46Å; F185-G189 PolarHBondContact O-N 2.92Å; H187-G189 VanDerWaalsContact C-N 3.29Å; G189-K191 WeakPolarHBondContact O-CG 3.1Å; G189-K191 PolarHBondContact O-N 3.27Å
190E88.1Confident89.8Confident106 Ų10672.6 Ų72.650%0.49538%0.383SS..  trans-70118.1-177.1-70.1168135.600110.9F185 T188 P192F185-E190 HydrophobicContact CD1-CB 3.95Å; F185-E190 PolarHBondContact O-N 3.48Å; T188-E190 WeakPolarHBondContact CB-OE2 3.4Å; T188-E190 PolarHBondContact O-N 2.82Å; T188-E190 WeakPolarHBondContact OG1-CB 3.12Å; T188-E190 VanDerWaalsContact OG1-CD 3.32Å; T188-E190 VanDerWaalsContact OG1-CG 3.32Å; T188-E190 WeakPolarHBondContact OG1-CG 3.16Å; T188-E190 PolarHBondContact OG1-N 3.3Å; T188-E190 PolarHBondContact OG1-OE2 3.45Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å
191K90.3Very high89.9Confident96 Ų9677.5 Ų77.542%0.41740%0.4SS..  trans-112.686.2177.3-57.9-164.2-167.9-179.10108.9G189 F193 R201 F202 I203G189-K191 WeakPolarHBondContact O-CG 3.1Å; G189-K191 PolarHBondContact O-N 3.27Å; K191-F193 VanDerWaalsContact C-N 3.27Å; K191-F193 PolarHBondContact O-N 3.19Å; K191-R201 HydrophobicContact CB-CB 3.47Å; K191-R201 VanDerWaalsContact CB-CB 3.47Å; K191-R201 HydrophobicContact CD-CB 4.36Å; K191-R201 WeakPolarHBondContact CD-O 3.47Å; K191-R201 HydrophobicContact CG-CB 4.49Å; K191-R201 VanDerWaalsContact O-CZ 3.32Å; K191-R201 PolarHBondContact O-NE 3.11Å; K191-R201 PolarHBondContact O-NH2 3.44Å; K191-F202 CarbonylContact C-O 3.36Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 WeakPolarHBondContact CA-O 3.43Å; K191-I203 HydrophobicContact CG-CG1 4.02Å
192P87.6Confident90.1Very high67 Ų6774.1 Ų74.144%0.43538%0.384SS..  trans-69.2-17-170.423.9-33.7000115F185 E190F185-P192 HydrophobicContact CE2-CG 4.38Å; F185-P192 HydrophobicContact CZ-CG 4.47Å; E190-P192 WeakPolarHBondContact O-CD 3.37Å
193F90.3Very high90.2Very high72 Ų7272.3 Ų72.332%0.31638%0.38SS..EExtended strand (participates in β ladder)trans-103.196.3-178.3-57-79.4000111K191 R201 F202 Q204 K205 L208K191-F193 VanDerWaalsContact C-N 3.27Å; K191-F193 PolarHBondContact O-N 3.19Å; F193-R201 CarbonylContact O-C 3.55Å; F193-R201 WeakPolarHBondContact O-CA 3.42Å; F193-F202 HydrophobicContact CB-CB 4.38Å; F193-F202 PolarHBondContact N-O 3.09Å; F193-F202 PolarHBondContact O-N 3.05Å; F193-Q204 VanDerWaalsContact CD2-C 3.41Å; F193-K205 HydrophobicContact CD1-CB 3.99Å; F193-K205 HydrophobicContact CD1-CG 4.44Å; F193-K205 HydrophobicContact CE1-CB 3.81Å; F193-K205 HydrophobicContact CE1-CG 4.44Å; F193-K205 HydrophobicContact CG-CB 4.45Å; F193-K205 HydrophobicContact CZ-CB 4.11Å; F193-L208 HydrophobicContact CB-CB 4.24Å; F193-L208 HydrophobicContact CB-CD2 4.01Å
194Q92.4Very high90.2Very high103 Ų10372.5 Ų72.548%0.48138%0.38SS..EExtended strand (participates in β ladder)trans-82.6146174.1-174.2167.6-6.700111.4R201 L208Q194-R201 HydrophobicContact CB-CG 3.92Å; Q194-R201 HydrophobicContact CG-CG 3.91Å; Q194-L208 WeakPolarHBondContact O-CD2 3.45Å
195C93.9Very high90.2Very high7 Ų776.8 Ų76.85%0.04740%0.396CS..  trans-77.2144.7170.9-170.50000111.6Q197 C198 M200 L208C195-Q197 VanDerWaalsContact C-N 3.3Å; C195-Q197 PolarHBondContact SG-N 3.24Å; C195-C198 WeakPolarHBondContact CB-O 3.38Å; C195-C198 VanDerWaalsContact O-O 3.05Å; C195-M200 PolarHBondContact N-O 3.22Å; C195-L208 HydrophobicContact CB-CD1 3.67Å
196S90.6Very high90.1Very high105 Ų10580.4 Ų80.473%0.73441%0.409SS*.SBendtrans-77.9-12.4175.551.90000114
197Q89Confident90.2Very high109 Ų10976.6 Ų76.651%0.50939%0.39SS..SBendtrans-114.7-7.1-173.6-62.5-173.269.900113.8C195 H215C195-Q197 VanDerWaalsContact C-N 3.3Å; C195-Q197 PolarHBondContact SG-N 3.24Å; Q197-H215 HydrophobicContact CB-CB 4.44Å; Q197-H215 PolarHBondContact O-CE1 3.18Å
198C92.4Very high90.5Very high35 Ų3573.7 Ų73.724%0.23638%0.377CS..SBendtrans-163166.9170.7660000110.8C195 M200 H211 H215C195-C198 WeakPolarHBondContact CB-O 3.38Å; C195-C198 VanDerWaalsContact O-O 3.05Å; C198-M200 PolarHBondContact O-N 3.09Å; C198-H211 PolarHBondContact SG-NE2 3.38Å; C198-H215 WeakPolarHBondContact CB-CE1 3.27Å; C198-H215 PolarHBondContact SG-CE1 3.47Å; C198-H215 PolarHBondContact SG-NE2 2.91Å
199D91.2Very high90.6Very high140 Ų14075.5 Ų75.575%0.74938%0.381SS*.SBendtrans-71.86.5-177.7-56.3-62.8000115R201D199-R201 PolarHBondContact O-N 3.29Å
200M90.4Very high90.7Very high100 Ų10075.6 Ų75.649%0.49337%0.366SS..  trans-67.4128.8177.3-66.4-63.4-84.900111.1C195 C198 F202C195-M200 PolarHBondContact N-O 3.22Å; C198-M200 PolarHBondContact O-N 3.09Å; M200-F202 HydrophobicContact CB-CE2 3.86Å; M200-F202 HydrophobicContact CB-CZ 3.86Å
201R92.7Very high90.9Very high125 Ų12571.9 Ų71.947%0.47235%0.348SS..EExtended strand (participates in β ladder)trans-117.7145.7-179.8-60.6178.161.2172.32.4110.6K191 F193 Q194 D199K191-R201 HydrophobicContact CB-CB 3.47Å; K191-R201 VanDerWaalsContact CB-CB 3.47Å; K191-R201 HydrophobicContact CD-CB 4.36Å; K191-R201 WeakPolarHBondContact CD-O 3.47Å; K191-R201 HydrophobicContact CG-CB 4.49Å; K191-R201 VanDerWaalsContact O-CZ 3.32Å; K191-R201 PolarHBondContact O-NE 3.11Å; K191-R201 PolarHBondContact O-NH2 3.44Å; F193-R201 CarbonylContact O-C 3.55Å; F193-R201 WeakPolarHBondContact O-CA 3.42Å; Q194-R201 HydrophobicContact CB-CG 3.92Å; Q194-R201 HydrophobicContact CG-CG 3.91Å; D199-R201 PolarHBondContact O-N 3.29Å
202F91.3Very high90.9Very high32 Ų3270 Ų7014%0.1434%0.341CS..EExtended strand (participates in β ladder)trans-128.2151.8-174.4-58.6-83000112.6K191 F193 M200 Q204 L207 L208 H211K191-F202 CarbonylContact C-O 3.36Å; K191-F202 VanDerWaalsContact C-O 3.3Å; K191-F202 WeakPolarHBondContact CA-O 3.43Å; F193-F202 HydrophobicContact CB-CB 4.38Å; F193-F202 PolarHBondContact N-O 3.09Å; F193-F202 PolarHBondContact O-N 3.05Å; M200-F202 HydrophobicContact CB-CE2 3.86Å; M200-F202 HydrophobicContact CB-CZ 3.86Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; F202-L207 HydrophobicContact CB-CB 4Å; F202-L207 HydrophobicContact CD1-CB 3.88Å; F202-L207 HydrophobicContact CG-CB 4.16Å; F202-L208 HydrophobicContact CB-CB 4.4Å; F202-L208 HydrophobicContact CD2-CB 3.91Å; F202-L208 HydrophobicContact CD2-CD1 4.04Å; F202-L208 HydrophobicContact CE2-CD1 4.2Å; F202-L208 HydrophobicContact CG-CB 4.34Å; F202-H211 HydrophobicContact CE1-CB 4.07Å; F202-H211 HydrophobicContact CE2-CB 3.92Å; F202-H211 AromaticContact CE2-CD2 3.55Å; F202-H211 AromaticContact CE2-CG 3.68Å; F202-H211 HydrophobicContact CZ-CB 3.51Å; F202-H211 AromaticContact CZ-CD2 3.62Å; F202-H211 AromaticContact CZ-CG 3.29Å; F202-H211 AromaticContact CZ-ND1 3.59Å
203I90.7Very high91.1Very high38 Ų3870.3 Ų70.320%0.19534%0.335CS..SBendtrans-77.1-20.7178-62.1177.2000111.8R182 F185 I186 K191R182-I203 HydrophobicContact CG-CG2 4.12Å; F185-I203 HydrophobicContact CB-CG2 3.71Å; F185-I203 HydrophobicContact CD2-CG2 3.9Å; F185-I203 HydrophobicContact CG-CG2 4.28Å; I186-I203 HydrophobicContact CG1-CD1 4.21Å; K191-I203 HydrophobicContact CG-CG1 4.02Å
204Q89.8Confident91.1Very high17 Ų1771.8 Ų71.88%0.07935%0.346CS..SBendtrans-141.6142.9-175.7-58.9177.298.500112.3R182 F193 F202 Y206 L207 L208R182-Q204 HydrophobicContact CG-CG 4.26Å; F193-Q204 VanDerWaalsContact CD2-C 3.41Å; F202-Q204 VanDerWaalsContact C-N 3.34Å; Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 HydrophobicContact CB-CD1 4.08Å; Q204-Y206 HydrophobicContact CB-CE1 4.08Å; Q204-Y206 HydrophobicContact CG-CE1 4.37Å; Q204-Y206 VanDerWaalsContact NE2-CE1 3.32Å; Q204-Y206 PolarHBondContact NE2-OH 2.8Å; Q204-Y206 PolarHBondContact O-N 3.25Å; Q204-Y206 VanDerWaalsContact OE1-CE1 3.27Å; Q204-L207 HydrophobicContact CB-CD1 3.96Å; Q204-L207 HydrophobicContact CB-CG 4.11Å; Q204-L207 HydrophobicContact CG-CD1 4.26Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 2.87Å; Q204-L208 PolarHBondContact O-N 2.92Å
205K89.9Confident91Very high128 Ų12870.8 Ų70.856%0.55734%0.341SS*.Hα-helixtrans-56-36.4179.3-171.1172.4-179175.30114.1F193 L207 L208 Q209F193-K205 HydrophobicContact CD1-CB 3.99Å; F193-K205 HydrophobicContact CD1-CG 4.44Å; F193-K205 HydrophobicContact CE1-CB 3.81Å; F193-K205 HydrophobicContact CE1-CG 4.44Å; F193-K205 HydrophobicContact CG-CB 4.45Å; F193-K205 HydrophobicContact CZ-CB 4.11Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.97Å; K205-L208 PolarHBondContact O-N 2.96Å; K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 3.13Å
206Y89.4Confident90.7Very high120 Ų12074.2 Ų74.247%0.47136%0.362SS..Hα-helixtrans-70.3-26.7178.281.9-105.4000112.9Q204 R210Q204-Y206 VanDerWaalsContact C-N 3.29Å; Q204-Y206 HydrophobicContact CB-CD1 4.08Å; Q204-Y206 HydrophobicContact CB-CE1 4.08Å; Q204-Y206 HydrophobicContact CG-CE1 4.37Å; Q204-Y206 VanDerWaalsContact NE2-CE1 3.32Å; Q204-Y206 PolarHBondContact NE2-OH 2.8Å; Q204-Y206 PolarHBondContact O-N 3.25Å; Q204-Y206 VanDerWaalsContact OE1-CE1 3.27Å; Y206-R210 VanDerWaalsContact O-CB 3.26Å; Y206-R210 WeakPolarHBondContact O-CB 3.05Å; Y206-R210 PolarHBondContact O-N 2.97Å
207L91.3Very high90.5Very high18 Ų1871.4 Ų71.49%0.09435%0.349CS..Hα-helixtrans-70.2-42.5175.3-63.9170.3000109.7F202 Q204 K205 R210 H211F202-L207 HydrophobicContact CB-CB 4Å; F202-L207 HydrophobicContact CD1-CB 3.88Å; F202-L207 HydrophobicContact CG-CB 4.16Å; Q204-L207 HydrophobicContact CB-CD1 3.96Å; Q204-L207 HydrophobicContact CB-CG 4.11Å; Q204-L207 HydrophobicContact CG-CD1 4.26Å; Q204-L207 WeakPolarHBondContact O-CB 3.46Å; Q204-L207 PolarHBondContact O-N 2.87Å; K205-L207 VanDerWaalsContact C-N 3.3Å; K205-L207 PolarHBondContact O-N 2.97Å; L207-R210 WeakPolarHBondContact O-CB 3.39Å; L207-R210 PolarHBondContact O-N 3.25Å; L207-H211 WeakPolarHBondContact O-CB 3.19Å; L207-H211 PolarHBondContact O-N 3.28Å
208L93.1Very high90.5Very high17 Ų1770.9 Ų70.99%0.08935%0.347CS..Hα-helixtrans-58.4-52.2170.2171.758.7000111.2F193 Q194 C195 F202 Q204 K205 R210 H211 E212F193-L208 HydrophobicContact CB-CB 4.24Å; F193-L208 HydrophobicContact CB-CD2 4.01Å; Q194-L208 WeakPolarHBondContact O-CD2 3.45Å; C195-L208 HydrophobicContact CB-CD1 3.67Å; F202-L208 HydrophobicContact CB-CB 4.4Å; F202-L208 HydrophobicContact CD2-CB 3.91Å; F202-L208 HydrophobicContact CD2-CD1 4.04Å; F202-L208 HydrophobicContact CE2-CD1 4.2Å; F202-L208 HydrophobicContact CG-CB 4.34Å; Q204-L208 PolarHBondContact O-N 2.92Å; K205-L208 PolarHBondContact O-N 2.96Å; L208-R210 PolarHBondContact O-N 3.42Å; L208-R210 VanDerWaalsContact O-N 3.13Å; L208-H211 CarbonylContact O-C 3.57Å; L208-H211 WeakPolarHBondContact O-CA 3.44Å; L208-H211 WeakPolarHBondContact O-CB 3.02Å; L208-H211 PolarHBondContact O-N 2.45Å; L208-E212 HydrophobicContact CD1-CG 3.83Å; L208-E212 HydrophobicContact CG-CG 4.26Å; L208-E212 WeakPolarHBondContact O-CG 3.39Å; L208-E212 PolarHBondContact O-N 3.34Å
209Q90.1Very high90.4Very high101 Ų10174.1 Ų74.147%0.47236%0.357SS..Hα-helixtrans-62.1-22.3177.8-71.1-178.3-42.800114.5K205 E212K205-Q209 WeakPolarHBondContact O-CG 3.34Å; K205-Q209 PolarHBondContact O-N 3.13Å; Q209-E212 WeakPolarHBondContact CA-OE2 3.44Å
210R90.2Very high90.3Very high52 Ų5270.6 Ų70.620%0.19634%0.342CS..Hα-helixtrans-79-37.6172.5-174.2179.579.7177.9-8.7111.4D48 D50 Y206 L207 L208 Q232D48-R210 IonicContact OD1-CZ 2.82Å; D48-R210 IonicContact OD1-NH1 2.8Å; D48-R210 IonicContact OD1-NH2 3.55Å; D48-R210 PolarHBondContact OD1-NH2 3.17Å; D48-R210 IonicContact OD2-CZ 3.66Å; D48-R210 IonicContact OD2-NH1 2.92Å; D48-R210 PolarHBondContact OD2-NH1 2.8Å; D48-R210 IonicContact OD2-NH2 3.5Å; D48-R210 PolarHBondContact OD2-NH2 2.36Å; D50-R210 IonicContact OD1-NH2 3.07Å; Y206-R210 VanDerWaalsContact O-CB 3.26Å; Y206-R210 WeakPolarHBondContact O-CB 3.05Å; Y206-R210 PolarHBondContact O-N 2.97Å; L207-R210 WeakPolarHBondContact O-CB 3.39Å; L207-R210 PolarHBondContact O-N 3.25Å; L208-R210 PolarHBondContact O-N 3.42Å; L208-R210 VanDerWaalsContact O-N 3.13Å; R210-Q232 HydrophobicContact CG-CG 4.26Å
211H91.9Very high90.4Very high27 Ų2769.4 Ų69.413%0.12533%0.334CS..Hα-helixtrans-74.7-36176.8170.484.1000112.8C198 F202 L207 L208 K213 I214 H215C198-H211 PolarHBondContact SG-NE2 3.38Å; F202-H211 HydrophobicContact CE1-CB 4.07Å; F202-H211 HydrophobicContact CE2-CB 3.92Å; F202-H211 AromaticContact CE2-CD2 3.55Å; F202-H211 AromaticContact CE2-CG 3.68Å; F202-H211 HydrophobicContact CZ-CB 3.51Å; F202-H211 AromaticContact CZ-CD2 3.62Å; F202-H211 AromaticContact CZ-CG 3.29Å; F202-H211 AromaticContact CZ-ND1 3.59Å; L207-H211 WeakPolarHBondContact O-CB 3.19Å; L207-H211 PolarHBondContact O-N 3.28Å; L208-H211 CarbonylContact O-C 3.57Å; L208-H211 WeakPolarHBondContact O-CA 3.44Å; L208-H211 WeakPolarHBondContact O-CB 3.02Å; L208-H211 PolarHBondContact O-N 2.45Å; H211-K213 PolarHBondContact O-N 3.17Å; H211-K213 VanDerWaalsContact O-N 3.1Å; H211-I214 WeakPolarHBondContact O-CB 3.34Å; H211-I214 WeakPolarHBondContact O-CG1 3.35Å; H211-I214 PolarHBondContact O-N 3.23Å; H211-H215 AromaticContact CD2-NE2 3.17Å; H211-H215 PolarHBondContact CD2-NE2 2.74Å; H211-H215 AromaticContact CE1-NE2 2.95Å; H211-H215 PolarHBondContact CE1-NE2 2.88Å; H211-H215 AromaticContact NE2-CD2 3.71Å; H211-H215 AromaticContact NE2-NE2 2.22Å; H211-H215 PolarHBondContact NE2-NE2 2.89Å
212E90.5Very high90.4Very high58 Ų5871.1 Ų71.127%0.27134%0.34SS..Hα-helixtrans-55.5-29174.9-75.2169.1159.600112.4L208 Q209 I214 H215 T216L208-E212 HydrophobicContact CD1-CG 3.83Å; L208-E212 HydrophobicContact CG-CG 4.26Å; L208-E212 WeakPolarHBondContact O-CG 3.39Å; L208-E212 PolarHBondContact O-N 3.34Å; Q209-E212 WeakPolarHBondContact CA-OE2 3.44Å; E212-I214 VanDerWaalsContact C-N 3.27Å; E212-I214 PolarHBondContact O-N 2.96Å; E212-H215 WeakPolarHBondContact O-CB 3.17Å; E212-H215 PolarHBondContact O-N 2.77Å; E212-T216 PolarHBondContact O-N 3.24Å
213K91.6Very high90.5Very high72 Ų7269.6 Ų69.631%0.31333%0.334SS..Hα-helixtrans-71.8-15.7175.2-62.8-173.3-179.3-146.70114.9H211 G217 E218 I231H211-K213 PolarHBondContact O-N 3.17Å; H211-K213 VanDerWaalsContact O-N 3.1Å; K213-G217 CarbonylContact O-C 3.6Å; K213-G217 PolarHBondContact O-N 3.37Å; K213-E218 HydrophobicContact CB-CB 4.05Å; K213-E218 HydrophobicContact CD-CB 4.35Å; K213-E218 HydrophobicContact CG-CB 4.1Å; K213-E218 IonicContact NZ-OE2 3.66Å; K213-E218 PolarHBondContact O-N 3.45Å; K213-E218 VanDerWaalsContact O-N 3.08Å; K213-I231 HydrophobicContact CB-CG2 3.67Å; K213-I231 HydrophobicContact CD-CG2 4.3Å
214I90.4Very high90.5Very high104 Ų10476.2 Ų76.253%0.53336%0.364SS..Hα-helixtrans-70.2-46.1169.3-55.3172.6000108.2H211 E212 G217 I231H211-I214 WeakPolarHBondContact O-CB 3.34Å; H211-I214 WeakPolarHBondContact O-CG1 3.35Å; H211-I214 PolarHBondContact O-N 3.23Å; E212-I214 VanDerWaalsContact C-N 3.27Å; E212-I214 PolarHBondContact O-N 2.96Å; I214-G217 PolarHBondContact O-N 3.13Å; I214-I231 HydrophobicContact CB-CD1 4.27Å; I214-I231 HydrophobicContact CG1-CD1 3.62Å
215H89.6Confident90.5Very high81 Ų8180.8 Ų80.838%0.37539%0.385SS..Hα-helixtrans-67.3-42.1177.7-64.9-78.7000113.2Q197 C198 H211 E212 G217Q197-H215 HydrophobicContact CB-CB 4.44Å; Q197-H215 PolarHBondContact O-CE1 3.18Å; C198-H215 WeakPolarHBondContact CB-CE1 3.27Å; C198-H215 PolarHBondContact SG-CE1 3.47Å; C198-H215 PolarHBondContact SG-NE2 2.91Å; H211-H215 AromaticContact CD2-NE2 3.17Å; H211-H215 PolarHBondContact CD2-NE2 2.74Å; H211-H215 AromaticContact CE1-NE2 2.95Å; H211-H215 PolarHBondContact CE1-NE2 2.88Å; H211-H215 AromaticContact NE2-CD2 3.71Å; H211-H215 AromaticContact NE2-NE2 2.22Å; H211-H215 PolarHBondContact NE2-NE2 2.89Å; E212-H215 WeakPolarHBondContact O-CB 3.17Å; E212-H215 PolarHBondContact O-N 2.77Å; H215-G217 PolarHBondContact O-N 2.81Å
216T87.9Confident90.6Very high80 Ų8077.4 Ų77.449%0.49138%0.377SS..THydrogen-bonded Turntrans-77.1-6.7176.366.10000114E212 E218E212-T216 PolarHBondContact O-N 3.24Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-E218 WeakPolarHBondContact OG1-CB 3.26Å; T216-E218 WeakPolarHBondContact OG1-CG 3.27Å
217G88.1Confident90.6Very high46 Ų4672.6 Ų72.647%0.47436%0.364SS..THydrogen-bonded Turntrans65.511.8-173.700000114.3K213 I214 H215 K219K213-G217 CarbonylContact O-C 3.6Å; K213-G217 PolarHBondContact O-N 3.37Å; I214-G217 PolarHBondContact O-N 3.13Å; H215-G217 PolarHBondContact O-N 2.81Å; G217-K219 PolarHBondContact O-N 3.18Å
218E87.8Confident90.6Very high97 Ų9777.4 Ų77.445%0.45339%0.387SS..  trans-64.996.8-178.2-89.9-178.4-135.800111.9K213 T216 P220K213-E218 HydrophobicContact CB-CB 4.05Å; K213-E218 HydrophobicContact CD-CB 4.35Å; K213-E218 HydrophobicContact CG-CB 4.1Å; K213-E218 IonicContact NZ-OE2 3.66Å; K213-E218 PolarHBondContact O-N 3.45Å; K213-E218 VanDerWaalsContact O-N 3.08Å; T216-E218 PolarHBondContact O-N 3.49Å; T216-E218 WeakPolarHBondContact OG1-CB 3.26Å; T216-E218 WeakPolarHBondContact OG1-CG 3.27Å; E218-P220 WeakPolarHBondContact O-CD 3.31Å
219K90.5Very high90.6Very high103 Ų10383.3 Ų83.345%0.44841%0.409SS..  trans-106.977.5173.7-66171.9174.2-171.50110G217 R229 F230 I231G217-K219 PolarHBondContact O-N 3.18Å; K219-R229 HydrophobicContact CB-CB 3.57Å; K219-R229 HydrophobicContact CD-CB 4.39Å; K219-R229 WeakPolarHBondContact CD-O 3.44Å; K219-R229 VanDerWaalsContact O-CZ 3.32Å; K219-R229 PolarHBondContact O-NE 2.72Å; K219-R229 PolarHBondContact O-NH2 3.29Å; K219-F230 CarbonylContact C-O 3.55Å; K219-F230 WeakPolarHBondContact CA-O 3.24Å; K219-I231 HydrophobicContact CG-CG1 3.85Å
220P89.1Confident90.6Very high67 Ų6780.5 Ų80.544%0.43540%0.395SS..  trans-73.4-23.4-17429-36.3000113.9E218E218-P220 WeakPolarHBondContact O-CD 3.31Å
221F91.7Very high90.7Very high74 Ų7479.7 Ų79.733%0.32539%0.394SS..EExtended strand (participates in β ladder)trans-93.4106.2-177.3-56.7-72.5000110.6R229 F230 I231 K233 M236F221-R229 CarbonylContact O-C 3.3Å; F221-R229 WeakPolarHBondContact O-CA 3.38Å; F221-F230 HydrophobicContact CB-CB 4.47Å; F221-F230 PolarHBondContact N-O 3.29Å; F221-F230 VanDerWaalsContact N-O 3.11Å; F221-F230 PolarHBondContact O-N 2.97Å; F221-I231 WeakPolarHBondContact CD2-O 3.38Å; F221-I231 WeakPolarHBondContact CE2-O 3.43Å; F221-K233 HydrophobicContact CD1-CB 3.77Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.22Å; F221-K233 HydrophobicContact CE1-CB 3.7Å; F221-K233 HydrophobicContact CE1-CD 4.3Å; F221-K233 HydrophobicContact CE1-CG 4.2Å; F221-K233 HydrophobicContact CE2-CB 4.15Å; F221-K233 VanDerWaalsContact CE2-N 3.33Å; F221-K233 HydrophobicContact CG-CB 4.04Å; F221-K233 HydrophobicContact CZ-CB 3.89Å; F221-M236 HydrophobicContact CB-CB 4.02Å; F221-M236 HydrophobicContact CB-CG 4.31Å
222R92.9Very high90.7Very high161 Ų16179.9 Ų79.961%0.60840%0.395SS*.EExtended strand (participates in β ladder)trans-91.3137.9174.5-177.8169.2177.8157.55.3110.4M228 R229R222-M228 CarbonylContact C-O 3.57Å; R222-M228 WeakPolarHBondContact CA-O 3.48Å; R222-R229 HydrophobicContact CB-CG 4.34Å; R222-R229 HydrophobicContact CG-CG 4.38Å
223C94Very high90.7Very high1 Ų183.3 Ų83.31%0.00741%0.409CS..  trans-80.1129.1163.2-179.50000108.7C226 G227 M228 F230 M236C223-C226 VanDerWaalsContact SG-SG 3.65Å; C223-G227 WeakPolarHBondContact O-CA 3.43Å; C223-G227 PolarHBondContact O-N 3.45Å; C223-M228 PolarHBondContact N-O 3.46Å; C223-F230 HydrophobicContact CB-CE2 4.15Å; C223-M236 HydrophobicContact CB-CG 4.17Å; C223-M236 HydrophobicContact CB-SD 4.42Å
224E90.8Very high90.6Very high177 Ų17785 Ų8583%0.82741%0.414SS*.THydrogen-bonded Turntrans-72.2-30.9-175.2-68.6167.5-173.100112.2
225E90.7Very high90.6Very high112 Ų11281.5 Ų81.552%0.52340%0.396SS..THydrogen-bonded Turntrans-79.6-38.1-172.2-69155.6-108.900113.7R240 H243E225-R240 WeakPolarHBondContact OE1-CD 3.22Å; E225-R240 WeakPolarHBondContact OE1-CG 3.14Å; E225-H243 WeakPolarHBondContact OE2-CB 3.43Å; E225-H243 IonicContact OE2-CD2 3.58Å; E225-H243 IonicContact OE2-CG 2.65Å
226C91.1Very high90.8Very high58 Ų5878.8 Ų78.839%0.39238%0.383SS..THydrogen-bonded Turntrans-117.6-6.9-178.766.70000114.1C223 M228 H239 H243C223-C226 VanDerWaalsContact SG-SG 3.65Å; C226-M228 PolarHBondContact O-N 3.15Å; C226-M228 VanDerWaalsContact SG-CB 3.56Å; C226-M228 PolarHBondContact SG-N 3.39Å; C226-M228 VanDerWaalsContact SG-N 3.44Å; C226-H239 PolarHBondContact SG-NE2 3.12Å; C226-H243 PolarHBondContact SG-NE2 3.19Å
227G89.8Confident90.9Very high19 Ų1977.8 Ų77.820%0.19637%0.373CS..  trans75.7-6.6-176.600000116.6C223C223-G227 WeakPolarHBondContact O-CA 3.43Å; C223-G227 PolarHBondContact O-N 3.45Å
228M91.1Very high90.9Very high118 Ų11878.4 Ų78.458%0.58136%0.361SS*.  trans-56.3144.1178.8-74.9-66-166.900112.2R222 C223 C226 F230R222-M228 CarbonylContact C-O 3.57Å; R222-M228 WeakPolarHBondContact CA-O 3.48Å; C223-M228 PolarHBondContact N-O 3.46Å; C226-M228 PolarHBondContact O-N 3.15Å; C226-M228 VanDerWaalsContact SG-CB 3.56Å; C226-M228 PolarHBondContact SG-N 3.39Å; C226-M228 VanDerWaalsContact SG-N 3.44Å; M228-F230 HydrophobicContact CB-CE2 3.69Å; M228-F230 HydrophobicContact CB-CZ 3.81Å
229R92.4Very high91.1Very high142 Ų14275.9 Ų75.954%0.53635%0.349SS..EExtended strand (participates in β ladder)trans-117.3139.4-175.9-56.7-177.763.6163.70.9111.6K219 F221 R222K219-R229 HydrophobicContact CB-CB 3.57Å; K219-R229 HydrophobicContact CD-CB 4.39Å; K219-R229 WeakPolarHBondContact CD-O 3.44Å; K219-R229 VanDerWaalsContact O-CZ 3.32Å; K219-R229 PolarHBondContact O-NE 2.72Å; K219-R229 PolarHBondContact O-NH2 3.29Å; F221-R229 CarbonylContact O-C 3.3Å; F221-R229 WeakPolarHBondContact O-CA 3.38Å; R222-R229 HydrophobicContact CB-CG 4.34Å; R222-R229 HydrophobicContact CG-CG 4.38Å
230F91.5Very high91Very high41 Ų4175.1 Ų75.118%0.1834%0.343CS..EExtended strand (participates in β ladder)trans-130.7150.6-173.1-56.8-90000111.7K219 F221 C223 M228 H235 M236 H239K219-F230 CarbonylContact C-O 3.55Å; K219-F230 WeakPolarHBondContact CA-O 3.24Å; F221-F230 HydrophobicContact CB-CB 4.47Å; F221-F230 PolarHBondContact N-O 3.29Å; F221-F230 VanDerWaalsContact N-O 3.11Å; F221-F230 PolarHBondContact O-N 2.97Å; C223-F230 HydrophobicContact CB-CE2 4.15Å; M228-F230 HydrophobicContact CB-CE2 3.69Å; M228-F230 HydrophobicContact CB-CZ 3.81Å; F230-H235 HydrophobicContact CB-CB 4.25Å; F230-H235 HydrophobicContact CD1-CB 3.91Å; F230-H235 HydrophobicContact CG-CB 4.34Å; F230-M236 HydrophobicContact CB-CB 4.11Å; F230-M236 HydrophobicContact CD2-CB 3.57Å; F230-M236 HydrophobicContact CD2-CG 3.74Å; F230-M236 HydrophobicContact CE2-CB 4.3Å; F230-M236 HydrophobicContact CE2-CG 4.21Å; F230-M236 HydrophobicContact CG-CB 3.98Å; F230-H239 HydrophobicContact CE1-CB 4.01Å; F230-H239 HydrophobicContact CE2-CB 4.16Å; F230-H239 AromaticContact CE2-CD2 3.8Å; F230-H239 HydrophobicContact CZ-CB 3.55Å; F230-H239 AromaticContact CZ-CD2 3.53Å; F230-H239 AromaticContact CZ-CG 3.4Å; F230-H239 VanDerWaalsContact CZ-CG 3.4Å; F230-H239 AromaticContact CZ-ND1 3.98Å
231I91.4Very high91Very high36 Ų3675.1 Ų75.119%0.18534%0.335CS..SBendtrans-76.3-35178.4-59178.6000111.4K213 I214 K219 F221K213-I231 HydrophobicContact CB-CG2 3.67Å; K213-I231 HydrophobicContact CD-CG2 4.3Å; I214-I231 HydrophobicContact CB-CD1 4.27Å; I214-I231 HydrophobicContact CG1-CD1 3.62Å; K219-I231 HydrophobicContact CG-CG1 3.85Å; F221-I231 WeakPolarHBondContact CD2-O 3.38Å; F221-I231 WeakPolarHBondContact CE2-O 3.43Å
232Q91.2Very high90.8Very high30 Ų3075.2 Ų75.214%0.1434%0.342CS..SBendtrans-116.8139.8-179.6-44.5-173.450.900111.4D50 R210 Y234 H235 M236D50-Q232 PolarHBondContact OD2-NE2 3.49Å; R210-Q232 HydrophobicContact CG-CG 4.26Å; Q232-Y234 HydrophobicContact CB-CD1 3.99Å; Q232-Y234 HydrophobicContact CB-CE1 4.49Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Q232-H235 VanDerWaalsContact CD-NE2 3.3Å; Q232-H235 PolarHBondContact NE2-NE2 3.21Å; Q232-H235 PolarHBondContact O-N 3.02Å; Q232-M236 PolarHBondContact O-N 3.08Å
233K90.6Very high90.6Very high130 Ų13071.2 Ų71.257%0.56533%0.33SS*.Hα-helixtrans-58.8-33.6177.4-172172.1179173.20112.5F221 M236 E237F221-K233 HydrophobicContact CD1-CB 3.77Å; F221-K233 HydrophobicContact CD1-CG 4.08Å; F221-K233 HydrophobicContact CD2-CB 4.22Å; F221-K233 HydrophobicContact CE1-CB 3.7Å; F221-K233 HydrophobicContact CE1-CD 4.3Å; F221-K233 HydrophobicContact CE1-CG 4.2Å; F221-K233 HydrophobicContact CE2-CB 4.15Å; F221-K233 VanDerWaalsContact CE2-N 3.33Å; F221-K233 HydrophobicContact CG-CB 4.04Å; F221-K233 HydrophobicContact CZ-CB 3.89Å; K233-M236 PolarHBondContact O-N 3.3Å; K233-E237 WeakPolarHBondContact O-CB 3.47Å; K233-E237 PolarHBondContact O-N 2.82Å
234Y89.4Confident90.1Very high109 Ų10974 Ų7443%0.42735%0.349SS..Hα-helixtrans-68.4-34.3-179.3105.1-102.4000112.4D50 Q232 E237 R238D50-Y234 PolarHBondContact OD2-OH 3.25Å; Q232-Y234 HydrophobicContact CB-CD1 3.99Å; Q232-Y234 HydrophobicContact CB-CE1 4.49Å; Q232-Y234 PolarHBondContact O-N 3.2Å; Y234-E237 PolarHBondContact O-N 3.5Å; Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 3.05Å
235H90.9Very high89.8Confident30 Ų3067.6 Ų67.614%0.13933%0.331CS..Hα-helixtrans-66.6-41.2173.7-69.4-55000111.4D50 F230 Q232 R238 H239D50-H235 VanDerWaalsContact CG-NE2 3.34Å; D50-H235 IonicContact OD1-NE2 3.08Å; D50-H235 IonicContact OD2-CE1 3.78Å; D50-H235 PolarHBondContact OD2-CE1 3.27Å; D50-H235 IonicContact OD2-NE2 2.84Å; D50-H235 PolarHBondContact OD2-NE2 3.37Å; F230-H235 HydrophobicContact CB-CB 4.25Å; F230-H235 HydrophobicContact CD1-CB 3.91Å; F230-H235 HydrophobicContact CG-CB 4.34Å; Q232-H235 VanDerWaalsContact CD-NE2 3.3Å; Q232-H235 PolarHBondContact NE2-NE2 3.21Å; Q232-H235 PolarHBondContact O-N 3.02Å; H235-R238 PolarHBondContact ND1-NH2 2.86Å; H235-R238 WeakPolarHBondContact O-CB 3.39Å; H235-R238 PolarHBondContact O-N 2.92Å; H235-H239 WeakPolarHBondContact O-CB 3.41Å; H235-H239 PolarHBondContact O-N 3.07Å
236M93.8Very high89.5Confident23 Ų2367.2 Ų67.211%0.11333%0.329CS..Hα-helixtrans-63.3-44.6174.9-172-78.2-68.800111.5F221 C223 F230 Q232 K233 H239 R240F221-M236 HydrophobicContact CB-CB 4.02Å; F221-M236 HydrophobicContact CB-CG 4.31Å; C223-M236 HydrophobicContact CB-CG 4.17Å; C223-M236 HydrophobicContact CB-SD 4.42Å; F230-M236 HydrophobicContact CB-CB 4.11Å; F230-M236 HydrophobicContact CD2-CB 3.57Å; F230-M236 HydrophobicContact CD2-CG 3.74Å; F230-M236 HydrophobicContact CE2-CB 4.3Å; F230-M236 HydrophobicContact CE2-CG 4.21Å; F230-M236 HydrophobicContact CG-CB 3.98Å; Q232-M236 PolarHBondContact O-N 3.08Å; K233-M236 PolarHBondContact O-N 3.3Å; M236-H239 PolarHBondContact O-N 3.47Å; M236-R240 PolarHBondContact O-N 3.3Å
237E89.9Confident89.2Confident59 Ų5970.5 Ų70.528%0.27634%0.336SS..Hα-helixtrans-65.6-36.5174.9-173.567.8-12300112.6K233 Y234 R240K233-E237 WeakPolarHBondContact O-CB 3.47Å; K233-E237 PolarHBondContact O-N 2.82Å; Y234-E237 PolarHBondContact O-N 3.5Å; E237-R240 IonicContact OE1-CZ 3.04Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 IonicContact OE1-NH2 3.72Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 3.15Å; E237-R240 IonicContact OE2-NH2 3.73Å; E237-R240 PolarHBondContact OE2-NH2 3.02Å
238R89.1Confident89Confident59 Ų5973.2 Ų73.222%0.22335%0.351CS..Hα-helixtrans-62.8-44.5172.4178.6178.979.2164.16.5110.7D52 Y234 H235 R260D52-R238 IonicContact OD1-CZ 3.87Å; D52-R238 IonicContact OD1-NH1 3.9Å; D52-R238 PolarHBondContact OD1-NH1 3.46Å; D52-R238 IonicContact OD1-NH2 3.51Å; D52-R238 PolarHBondContact OD1-NH2 3.26Å; D52-R238 IonicContact OD2-CZ 2.76Å; D52-R238 IonicContact OD2-NH1 3.24Å; D52-R238 PolarHBondContact OD2-NH1 2.97Å; D52-R238 IonicContact OD2-NH2 4Å; Y234-R238 WeakPolarHBondContact O-CB 3.49Å; Y234-R238 PolarHBondContact O-N 3.05Å; H235-R238 PolarHBondContact ND1-NH2 2.86Å; H235-R238 WeakPolarHBondContact O-CB 3.39Å; H235-R238 PolarHBondContact O-N 2.92Å; R238-R260 HydrophobicContact CG-CG 4.41Å
239H90.6Very high88.8Confident44 Ų4471.4 Ų71.420%0.20434%0.338CS..Hα-helixtrans-67.5-40.9178.2175.774000112.2C226 F230 H235 M236 R241 T242 H243C226-H239 PolarHBondContact SG-NE2 3.12Å; F230-H239 HydrophobicContact CE1-CB 4.01Å; F230-H239 HydrophobicContact CE2-CB 4.16Å; F230-H239 AromaticContact CE2-CD2 3.8Å; F230-H239 HydrophobicContact CZ-CB 3.55Å; F230-H239 AromaticContact CZ-CD2 3.53Å; F230-H239 AromaticContact CZ-CG 3.4Å; F230-H239 VanDerWaalsContact CZ-CG 3.4Å; F230-H239 AromaticContact CZ-ND1 3.98Å; H235-H239 WeakPolarHBondContact O-CB 3.41Å; H235-H239 PolarHBondContact O-N 3.07Å; M236-H239 PolarHBondContact O-N 3.47Å; H239-R241 PolarHBondContact O-N 2.86Å; H239-T242 WeakPolarHBondContact O-CB 3.37Å; H239-T242 PolarHBondContact O-N 2.99Å; H239-T242 PolarHBondContact O-OG1 2.98Å; H239-H243 AromaticContact CD2-NE2 3.62Å; H239-H243 AromaticContact CE1-CE1 3.9Å; H239-H243 AromaticContact CE1-NE2 3.78Å; H239-H243 AromaticContact NE2-CE1 3.57Å; H239-H243 AromaticContact NE2-NE2 3.05Å; H239-H243 PolarHBondContact NE2-NE2 2.97Å
240R89.3Confident88.7Confident88 Ų8868.3 Ų68.333%0.33233%0.329SS..Hα-helixtrans-55.3-28.4179.2-172.6169.161.7-170.1-2.4113.9E225 M236 E237 T242 H243 S244E225-R240 WeakPolarHBondContact OE1-CD 3.22Å; E225-R240 WeakPolarHBondContact OE1-CG 3.14Å; M236-R240 PolarHBondContact O-N 3.3Å; E237-R240 IonicContact OE1-CZ 3.04Å; E237-R240 IonicContact OE1-NE 3.57Å; E237-R240 IonicContact OE1-NH2 3.72Å; E237-R240 PolarHBondContact OE1-NH2 3.36Å; E237-R240 IonicContact OE2-CZ 3.15Å; E237-R240 IonicContact OE2-NH2 3.73Å; E237-R240 PolarHBondContact OE2-NH2 3.02Å; R240-T242 PolarHBondContact O-N 2.94Å; R240-H243 PolarHBondContact O-N 2.83Å; R240-S244 PolarHBondContact O-N 3.5Å
241R88.6Confident88.7Confident67 Ų6766.3 Ų66.325%0.25332%0.321SS..Hα-helixtrans-70.6-10.7175.2-60.5-176.2-163.4141.511.8114.8H239 G245 E246H239-R241 PolarHBondContact O-N 2.86Å; R241-G245 PolarHBondContact O-N 2.92Å; R241-E246 HydrophobicContact CB-CB 4.48Å; R241-E246 PolarHBondContact O-N 3.31Å
242T88.5Confident88.6Confident76 Ų7669.2 Ų69.247%0.46634%0.337SS..Hα-helixtrans-71.6-40.5168.665.20000110.2H239 R240 G245H239-T242 WeakPolarHBondContact O-CB 3.37Å; H239-T242 PolarHBondContact O-N 2.99Å; H239-T242 PolarHBondContact O-OG1 2.98Å; R240-T242 PolarHBondContact O-N 2.94Å; T242-G245 PolarHBondContact O-N 2.94Å
243H87.2Confident88.4Confident77 Ų7772.8 Ų72.836%0.35635%0.349SS..Hα-helixtrans-72.7-45.8178.9-52.5-40.4000112.2E225 C226 H239 R240 G245E225-H243 WeakPolarHBondContact OE2-CB 3.43Å; E225-H243 IonicContact OE2-CD2 3.58Å; E225-H243 IonicContact OE2-CG 2.65Å; C226-H243 PolarHBondContact SG-NE2 3.19Å; H239-H243 AromaticContact CD2-NE2 3.62Å; H239-H243 AromaticContact CE1-CE1 3.9Å; H239-H243 AromaticContact CE1-NE2 3.78Å; H239-H243 AromaticContact NE2-CE1 3.57Å; H239-H243 AromaticContact NE2-NE2 3.05Å; H239-H243 PolarHBondContact NE2-NE2 2.97Å; R240-H243 PolarHBondContact O-N 2.83Å; H243-G245 PolarHBondContact O-N 3.34Å
244S84.2Confident88.3Confident59 Ų5968.8 Ų68.841%0.41334%0.338SS..SBendtrans-72-9.6176.175.10000113.8R240 E246R240-S244 PolarHBondContact O-N 3.5Å; S244-E246 PolarHBondContact O-N 3.01Å; S244-E246 VanDerWaalsContact O-N 3.09Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-OE1 3Å
245G85.1Confident88.2Confident43 Ų4369.4 Ų69.444%0.44334%0.344SS..  trans64.39.5-178.600000114.7R241 T242 H243 K247R241-G245 PolarHBondContact O-N 2.92Å; T242-G245 PolarHBondContact O-N 2.94Å; H243-G245 PolarHBondContact O-N 3.34Å; G245-K247 PolarHBondContact O-N 3.22Å
246E84Confident88Confident104 Ų10473 Ų7349%0.48636%0.361SS..  trans-61.3120.9-173.7-87.1173.7-119.900112.3R241 S244 P248 S259R241-E246 HydrophobicContact CB-CB 4.48Å; R241-E246 PolarHBondContact O-N 3.31Å; S244-E246 PolarHBondContact O-N 3.01Å; S244-E246 VanDerWaalsContact O-N 3.09Å; S244-E246 WeakPolarHBondContact OG-CG 3.44Å; S244-E246 PolarHBondContact OG-OE1 3Å; E246-P248 VanDerWaalsContact O-CD 3.27Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å; E246-S259 VanDerWaalsContact O-CA 3.27Å; E246-S259 WeakPolarHBondContact O-CA 3.41Å; E246-S259 WeakPolarHBondContact O-CB 3.38Å
247K84.7Confident87.8Confident126 Ų12678.5 Ų78.555%0.54838%0.382SS..  trans-119.764.6178.5-68.7169.7-173.9175.90111.7G245 Y249 F258G245-K247 PolarHBondContact O-N 3.22Å; K247-Y249 PolarHBondContact O-N 3.17Å; K247-F258 CarbonylContact C-O 3.55Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.26Å; K247-F258 WeakPolarHBondContact CA-O 3.5Å
248P85Confident87.8Confident77 Ų7777.7 Ų77.750%0.538%0.377SS..  trans-74.9-3.8-170.632.6-37.7000114.5E246E246-P248 VanDerWaalsContact O-CD 3.27Å; E246-P248 WeakPolarHBondContact O-CD 3.49Å
249Y87.3Confident87.6Confident80 Ų8076.6 Ų76.631%0.31438%0.378SS..EExtended strand (participates in β ladder)trans-112116.8-177.1-50.3-67.4000110.9K247 Y257 F258 S259 T261 V264K247-Y249 PolarHBondContact O-N 3.17Å; Y249-Y257 CarbonylContact O-C 3.49Å; Y249-Y257 WeakPolarHBondContact O-CA 3.26Å; Y249-F258 PolarHBondContact N-O 3.32Å; Y249-F258 PolarHBondContact O-N 3.29Å; Y249-S259 WeakPolarHBondContact CE2-O 3.46Å; Y249-T261 HydrophobicContact CD1-CG2 3.77Å; Y249-T261 HydrophobicContact CD2-CG2 4.13Å; Y249-T261 HydrophobicContact CE1-CG2 3.45Å; Y249-T261 VanDerWaalsContact CE1-CG2 3.45Å; Y249-T261 HydrophobicContact CE2-CG2 3.84Å; Y249-T261 HydrophobicContact CG-CG2 4.1Å; Y249-T261 VanDerWaalsContact CZ-CG2 3.49Å; Y249-V264 VanDerWaalsContact CB-CG2 3.44Å
250Q91.1Very high87.5Confident76 Ų7676 Ų7636%0.35538%0.375SS..EExtended strand (participates in β ladder)trans-99.1148.8178.9-161.2178.52400111.6H255 Q256 Y257Q250-H255 WeakPolarHBondContact CG-O 3.45Å; Q250-H255 PolarHBondContact NE2-O 2.94Å; Q250-Q256 CarbonylContact C-O 3.54Å; Q250-Q256 WeakPolarHBondContact CA-O 3.49Å; Q250-Y257 HydrophobicContact CB-CD1 3.84Å; Q250-Y257 HydrophobicContact CB-CE1 3.86Å; Q250-Y257 HydrophobicContact CG-CD1 3.87Å; Q250-Y257 HydrophobicContact CG-CE1 3.71Å; Q250-Y257 HydrophobicContact CG-CE2 4.43Å; Q250-Y257 HydrophobicContact CG-CG 4.3Å; Q250-Y257 PolarHBondContact NE2-OH 3.46Å; Q250-Y257 VanDerWaalsContact NE2-OH 3.14Å
251C91.3Very high87.5Confident0 Ų075.4 Ų75.40%038%0.381CS..  trans-88.1121.8170176.70000111.8Y253 C254 H255 Q256 F258 H267C251-Y253 PolarHBondContact O-N 3.25Å; C251-C254 PolarHBondContact O-N 3.04Å; C251-H255 WeakPolarHBondContact O-CA 3.41Å; C251-H255 PolarHBondContact O-N 3.32Å; C251-Q256 PolarHBondContact N-O 2.78Å; C251-F258 HydrophobicContact CB-CE2 4.2Å; C251-H267 PolarHBondContact SG-CD2 3.07Å
252D88.9Confident87.4Confident96 Ų9674.2 Ų74.251%0.51338%0.379SS..THydrogen-bonded Turntrans-56.4-23.6-179.7-45.9-54.1000114.7R268D252-R268 WeakPolarHBondContact OD2-CD 3.43Å; D252-R268 IonicContact OD2-CZ 3.9Å; D252-R268 IonicContact OD2-NE 2.36Å; D252-R268 IonicContact OD2-NH1 3.83Å; D252-R268 PolarHBondContact OD2-NH1 3.21Å
253Y86.3Confident87.5Confident105 Ų10575.5 Ų75.541%0.41238%0.375SS..THydrogen-bonded Turntrans-102.1-14.7-171.1-63-46.1000115.5C251 R268 C271 R272C251-Y253 PolarHBondContact O-N 3.25Å; Y253-R268 HydrophobicContact CD2-CG 3.66Å; Y253-R268 HydrophobicContact CE2-CG 3.55Å; Y253-C271 HydrophobicContact CD2-CB 4.17Å; Y253-R272 HydrophobicContact CD2-CB 4.37Å; Y253-R272 HydrophobicContact CE2-CB 3.81Å; Y253-R272 HydrophobicContact CE2-CG 4.34Å
254C88.4Confident87.7Confident47 Ų4772.4 Ų72.432%0.31836%0.362SS..THydrogen-bonded Turntrans-146.51.5-175.671.50000113.7C251 Q256 H267C251-C254 PolarHBondContact O-N 3.04Å; C254-Q256 PolarHBondContact O-N 3.05Å; C254-H267 PolarHBondContact SG-NE2 2.88Å
255H88.1Confident88Confident121 Ų12174.3 Ų74.356%0.5637%0.367SS*.  trans609.6176.6-54.7-61.7000116.5Q250 C251 Y257Q250-H255 WeakPolarHBondContact CG-O 3.45Å; Q250-H255 PolarHBondContact NE2-O 2.94Å; C251-H255 WeakPolarHBondContact O-CA 3.41Å; C251-H255 PolarHBondContact O-N 3.32Å; H255-Y257 WeakPolarHBondContact O-CD2 3.45Å; H255-Y257 WeakPolarHBondContact O-CE2 3.37Å
256Q87.4Confident88.3Confident106 Ų10678.3 Ų78.350%0.49537%0.372SS..  trans-67.5145.7172.1-70.7-174.5-11.100111.7Q250 C251 C254 F258 H267Q250-Q256 CarbonylContact C-O 3.54Å; Q250-Q256 WeakPolarHBondContact CA-O 3.49Å; C251-Q256 PolarHBondContact N-O 2.78Å; C254-Q256 PolarHBondContact O-N 3.05Å; Q256-F258 HydrophobicContact CB-CE2 3.65Å; Q256-F258 HydrophobicContact CB-CZ 3.95Å; Q256-F258 WeakPolarHBondContact O-CE2 3.48Å; Q256-H267 PolarHBondContact OE1-CE1 3.43Å
257Y89.4Confident88.6Confident139 Ų13974.7 Ų74.755%0.54536%0.355SS..EExtended strand (participates in β ladder)trans-110.1142.1-176.7-63.5-91.4000111.9Y249 Q250 H255Y249-Y257 CarbonylContact O-C 3.49Å; Y249-Y257 WeakPolarHBondContact O-CA 3.26Å; Q250-Y257 HydrophobicContact CB-CD1 3.84Å; Q250-Y257 HydrophobicContact CB-CE1 3.86Å; Q250-Y257 HydrophobicContact CG-CD1 3.87Å; Q250-Y257 HydrophobicContact CG-CE1 3.71Å; Q250-Y257 HydrophobicContact CG-CE2 4.43Å; Q250-Y257 HydrophobicContact CG-CG 4.3Å; Q250-Y257 PolarHBondContact NE2-OH 3.46Å; Q250-Y257 VanDerWaalsContact NE2-OH 3.14Å; H255-Y257 WeakPolarHBondContact O-CD2 3.45Å; H255-Y257 WeakPolarHBondContact O-CE2 3.37Å
258F88.5Confident88.9Confident41 Ų4173.4 Ų73.418%0.1835%0.347CS..EExtended strand (participates in β ladder)trans-139.3153-175.1-54.8-103.1000111.7K247 Y249 C251 Q256 R263 V264 H267K247-F258 CarbonylContact C-O 3.55Å; K247-F258 VanDerWaalsContact C-O 3.23Å; K247-F258 VanDerWaalsContact CA-O 3.26Å; K247-F258 WeakPolarHBondContact CA-O 3.5Å; Y249-F258 PolarHBondContact N-O 3.32Å; Y249-F258 PolarHBondContact O-N 3.29Å; C251-F258 HydrophobicContact CB-CE2 4.2Å; Q256-F258 HydrophobicContact CB-CE2 3.65Å; Q256-F258 HydrophobicContact CB-CZ 3.95Å; Q256-F258 WeakPolarHBondContact O-CE2 3.48Å; F258-R263 HydrophobicContact CD1-CB 4.38Å; F258-V264 HydrophobicContact CB-CG2 3.59Å; F258-V264 HydrophobicContact CD2-CG2 3.59Å; F258-V264 HydrophobicContact CG-CG2 3.8Å; F258-H267 HydrophobicContact CE1-CB 4.33Å; F258-H267 HydrophobicContact CZ-CB 4.02Å; F258-H267 AromaticContact CZ-CD2 3.79Å; F258-H267 AromaticContact CZ-CE1 3.79Å; F258-H267 AromaticContact CZ-CG 3.51Å; F258-H267 AromaticContact CZ-ND1 3.51Å; F258-H267 AromaticContact CZ-NE2 3.99Å
259S86.8Confident89.1Confident36 Ų3678.2 Ų78.225%0.25236%0.355SS..SBendtrans-83.1-19.2-178.153.10000114.8E246 Y249E246-S259 VanDerWaalsContact O-CA 3.27Å; E246-S259 WeakPolarHBondContact O-CA 3.41Å; E246-S259 WeakPolarHBondContact O-CB 3.38Å; Y249-S259 WeakPolarHBondContact CE2-O 3.46Å
260R87.2Confident89.2Confident33 Ų3378.3 Ų78.313%0.12536%0.36CS..SBendtrans-126.4143.9-178.5-56.6164.348.6146.2-1.5111.8D52 D55 R238 D262 R263 V264D52-R260 IonicContact OD2-CZ 2.76Å; D52-R260 IonicContact OD2-NH1 3.69Å; D52-R260 PolarHBondContact OD2-NH1 3.43Å; D52-R260 VanDerWaalsContact OD2-NH1 3.15Å; D52-R260 IonicContact OD2-NH2 2.76Å; D52-R260 PolarHBondContact OD2-NH2 3.24Å; D55-R260 IonicContact OD2-NH1 3.69Å; R238-R260 HydrophobicContact CG-CG 4.41Å; R260-D262 WeakPolarHBondContact CB-OD1 3.13Å; R260-D262 IonicContact CZ-OD1 3.57Å; R260-D262 IonicContact CZ-OD2 3.36Å; R260-D262 IonicContact NE-OD1 2.73Å; R260-D262 PolarHBondContact NE-OD1 3Å; R260-D262 IonicContact NE-OD2 3.42Å; R260-D262 IonicContact NH2-OD1 2.81Å; R260-D262 PolarHBondContact NH2-OD1 3.23Å; R260-D262 IonicContact NH2-OD2 2.72Å; R260-D262 PolarHBondContact NH2-OD2 2.95Å; R260-R263 HydrophobicContact CB-CB 4.42Å; R260-R263 HydrophobicContact CB-CG 3.98Å; R260-V264 PolarHBondContact O-N 2.76Å
261T88.6Confident88.9Confident75 Ų7575.7 Ų75.746%0.4635%0.349SS..Hα-helixtrans-66.6-40.8178.8440000113.3Y249 R263 V264 L265Y249-T261 HydrophobicContact CD1-CG2 3.77Å; Y249-T261 HydrophobicContact CD2-CG2 4.13Å; Y249-T261 HydrophobicContact CE1-CG2 3.45Å; Y249-T261 VanDerWaalsContact CE1-CG2 3.45Å; Y249-T261 HydrophobicContact CE2-CG2 3.84Å; Y249-T261 HydrophobicContact CG-CG2 4.1Å; Y249-T261 VanDerWaalsContact CZ-CG2 3.49Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.76Å; T261-V264 PolarHBondContact O-N 2.95Å; T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.35Å
262D88.2Confident88.7Confident42 Ų4284 Ų8423%0.22538%0.381CS..Hα-helixtrans-61-42179.470.1-50.9000111.5R260 V264 L265 K266R260-D262 WeakPolarHBondContact CB-OD1 3.13Å; R260-D262 IonicContact CZ-OD1 3.57Å; R260-D262 IonicContact CZ-OD2 3.36Å; R260-D262 IonicContact NE-OD1 2.73Å; R260-D262 PolarHBondContact NE-OD1 3Å; R260-D262 IonicContact NE-OD2 3.42Å; R260-D262 IonicContact NH2-OD1 2.81Å; R260-D262 PolarHBondContact NH2-OD1 3.23Å; R260-D262 IonicContact NH2-OD2 2.72Å; R260-D262 PolarHBondContact NH2-OD2 2.95Å; D262-V264 PolarHBondContact O-N 3.43Å; D262-L265 PolarHBondContact O-N 3.28Å; D262-K266 WeakPolarHBondContact O-CB 3.21Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.24Å
263R89.6Confident88.4Confident102 Ų10283.7 Ų83.739%0.38538%0.376SS..Hα-helixtrans-63.5-39.8175.9-56.7-66.9-171.2177-1.1110.6D55 F258 R260 T261 H267D55-R263 IonicContact OD2-CZ 3.45Å; D55-R263 IonicContact OD2-NH2 2.74Å; D55-R263 PolarHBondContact OD2-NH2 2.98Å; F258-R263 HydrophobicContact CD1-CB 4.38Å; R260-R263 HydrophobicContact CB-CB 4.42Å; R260-R263 HydrophobicContact CB-CG 3.98Å; T261-R263 VanDerWaalsContact C-N 3.33Å; T261-R263 PolarHBondContact O-N 2.76Å; R263-H267 WeakPolarHBondContact O-CB 3.32Å; R263-H267 PolarHBondContact O-N 3.37Å
264V91.6Very high88Confident13 Ų1385.3 Ų85.38%0.07938%0.382CS..Hα-helixtrans-64.3-44.7171.2-178.30000112.4Y249 F258 R260 T261 D262 H267 R268Y249-V264 VanDerWaalsContact CB-CG2 3.44Å; F258-V264 HydrophobicContact CB-CG2 3.59Å; F258-V264 HydrophobicContact CD2-CG2 3.59Å; F258-V264 HydrophobicContact CG-CG2 3.8Å; R260-V264 PolarHBondContact O-N 2.76Å; T261-V264 PolarHBondContact O-N 2.95Å; D262-V264 PolarHBondContact O-N 3.43Å; V264-H267 CarbonylContact O-C 3.55Å; V264-H267 PolarHBondContact O-N 2.9Å; V264-R268 WeakPolarHBondContact O-CB 3.33Å; V264-R268 PolarHBondContact O-N 3.14Å
265L91Very high87.5Confident98 Ų9889.6 Ų89.651%0.51340%0.395SS..Hα-helixtrans-67-42.4-176.9-70.1171.7000111.9T261 D262 R268 R269T261-L265 WeakPolarHBondContact O-CG 3.37Å; T261-L265 PolarHBondContact O-N 3.35Å; D262-L265 PolarHBondContact O-N 3.28Å; L265-R268 PolarHBondContact O-N 2.65Å; L265-R269 PolarHBondContact O-N 2.68Å; L265-R269 VanDerWaalsContact O-N 3.15Å
266K90.1Very high86.9Confident127 Ų12786.5 Ų86.555%0.55239%0.39SS*.Hα-helixtrans-59.6-46.8171.1-71.8173.7177.8175.40110.7D262 R269 M270D262-K266 WeakPolarHBondContact O-CB 3.21Å; D262-K266 WeakPolarHBondContact O-CG 3.33Å; D262-K266 PolarHBondContact O-N 3.24Å; K266-R269 WeakPolarHBondContact O-CB 3.47Å; K266-R269 PolarHBondContact O-N 3.42Å; K266-M270 PolarHBondContact O-N 3.43Å
267H90.6Very high85.9Confident28 Ų2887.8 Ų87.813%0.1340%0.396CS..Hα-helixtrans-65.9-41177.9176.897.4000113.5C251 C254 Q256 F258 R263 V264 R269 M270 C271C251-H267 PolarHBondContact SG-CD2 3.07Å; C254-H267 PolarHBondContact SG-NE2 2.88Å; Q256-H267 PolarHBondContact OE1-CE1 3.43Å; F258-H267 HydrophobicContact CE1-CB 4.33Å; F258-H267 HydrophobicContact CZ-CB 4.02Å; F258-H267 AromaticContact CZ-CD2 3.79Å; F258-H267 AromaticContact CZ-CE1 3.79Å; F258-H267 AromaticContact CZ-CG 3.51Å; F258-H267 AromaticContact CZ-ND1 3.51Å; F258-H267 AromaticContact CZ-NE2 3.99Å; R263-H267 WeakPolarHBondContact O-CB 3.32Å; R263-H267 PolarHBondContact O-N 3.37Å; V264-H267 CarbonylContact O-C 3.55Å; V264-H267 PolarHBondContact O-N 2.9Å; H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.47Å; H267-M270 PolarHBondContact O-N 3.19Å; H267-C271 PolarHBondContact NE2-SG 3.05Å; H267-C271 PolarHBondContact O-N 2.86Å
268R90.9Very high84.9Confident99 Ų9989.2 Ų89.237%0.37441%0.405SS..Hα-helixtrans-64-34.7179.1-171.5173.774.4167.61.8111.6D252 Y253 V264 L265 R272D252-R268 WeakPolarHBondContact OD2-CD 3.43Å; D252-R268 IonicContact OD2-CZ 3.9Å; D252-R268 IonicContact OD2-NE 2.36Å; D252-R268 IonicContact OD2-NH1 3.83Å; D252-R268 PolarHBondContact OD2-NH1 3.21Å; Y253-R268 HydrophobicContact CD2-CG 3.66Å; Y253-R268 HydrophobicContact CE2-CG 3.55Å; V264-R268 WeakPolarHBondContact O-CB 3.33Å; V264-R268 PolarHBondContact O-N 3.14Å; L265-R268 PolarHBondContact O-N 2.65Å; R268-R272 WeakPolarHBondContact O-CB 3.07Å; R268-R272 PolarHBondContact O-N 3.06Å
269R89.8Confident83.8Confident178 Ų17891.8 Ų91.867%0.67242%0.424SS*.Hα-helixtrans-60-56.1170.7-165.7-171.5-67-1660.2110.4L265 K266 H267 C271 R272 E273L265-R269 PolarHBondContact O-N 2.68Å; L265-R269 VanDerWaalsContact O-N 3.15Å; K266-R269 WeakPolarHBondContact O-CB 3.47Å; K266-R269 PolarHBondContact O-N 3.42Å; H267-R269 VanDerWaalsContact C-N 3.29Å; H267-R269 PolarHBondContact O-N 3.47Å; R269-C271 VanDerWaalsContact C-N 3.33Å; R269-C271 PolarHBondContact O-N 3.42Å; R269-R272 WeakPolarHBondContact O-CB 3.46Å; R269-R272 PolarHBondContact O-N 3.01Å; R269-R272 VanDerWaalsContact O-N 3.08Å; R269-E273 VanDerWaalsContact CG-OE1 3.31Å; R269-E273 WeakPolarHBondContact CG-OE1 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.5Å; R269-E273 PolarHBondContact O-N 3.04Å
270M88.7Confident82.7Confident83 Ų8393.1 Ų93.141%0.40944%0.437SS..Hα-helixtrans-58.1-38.7177.5-68.2-172.2-73.400113.8K266 H267 E273 R274K266-M270 PolarHBondContact O-N 3.43Å; H267-M270 PolarHBondContact O-N 3.19Å; M270-E273 WeakPolarHBondContact CA-OE2 3.38Å; M270-E273 PolarHBondContact O-N 3.42Å; M270-R274 WeakPolarHBondContact O-CB 3.15Å; M270-R274 VanDerWaalsContact O-CG 3.24Å; M270-R274 WeakPolarHBondContact O-CG 3.42Å; M270-R274 PolarHBondContact O-N 2.94Å
271C86.3Confident81.4Confident21 Ų2194.3 Ų94.314%0.14245%0.454CS..Hα-helixtrans-69.1-35.5176.7-880000112.7Y253 H267 R269 K275Y253-C271 HydrophobicContact CD2-CB 4.17Å; H267-C271 PolarHBondContact NE2-SG 3.05Å; H267-C271 PolarHBondContact O-N 2.86Å; R269-C271 VanDerWaalsContact C-N 3.33Å; R269-C271 PolarHBondContact O-N 3.42Å; C271-K275 WeakPolarHBondContact O-CB 3.36Å; C271-K275 PolarHBondContact O-N 3.15Å
272R85.8Confident79.8Confident173 Ų17394.5 Ų94.565%0.65346%0.463SS*.Hα-helixtrans-65.2-45.1173.3-171.3175.3177.2175.8-1111.4Y253 R268 R269 K275 A276Y253-R272 HydrophobicContact CD2-CB 4.37Å; Y253-R272 HydrophobicContact CE2-CB 3.81Å; Y253-R272 HydrophobicContact CE2-CG 4.34Å; R268-R272 WeakPolarHBondContact O-CB 3.07Å; R268-R272 PolarHBondContact O-N 3.06Å; R269-R272 WeakPolarHBondContact O-CB 3.46Å; R269-R272 PolarHBondContact O-N 3.01Å; R269-R272 VanDerWaalsContact O-N 3.08Å; R272-K275 PolarHBondContact O-N 3.15Å; R272-A276 PolarHBondContact O-N 2.87Å
273E82.3Confident78.3Confident91 Ų9195.4 Ų95.443%0.42548%0.483SS..Hα-helixtrans-61.8-50.9177.1-69.7156.8176.400111.2R269 M270 K275 A276 H277R269-E273 VanDerWaalsContact CG-OE1 3.31Å; R269-E273 WeakPolarHBondContact CG-OE1 3.3Å; R269-E273 WeakPolarHBondContact O-CG 3.5Å; R269-E273 PolarHBondContact O-N 3.04Å; M270-E273 WeakPolarHBondContact CA-OE2 3.38Å; M270-E273 PolarHBondContact O-N 3.42Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 2.84Å; E273-A276 WeakPolarHBondContact O-CB 3.25Å; E273-A276 PolarHBondContact O-N 2.91Å; E273-A276 VanDerWaalsContact O-N 3.12Å; E273-H277 PolarHBondContact O-CD2 3.12Å; E273-H277 PolarHBondContact O-N 2.76Å
274R79.4Confident76.7Confident139 Ų13999.3 Ų99.353%0.52550%0.502SS..Hα-helixtrans-58.8-37.5176.2-71.6173.9-170.7-171.44.1112.6M270 K278M270-R274 WeakPolarHBondContact O-CB 3.15Å; M270-R274 VanDerWaalsContact O-CG 3.24Å; M270-R274 WeakPolarHBondContact O-CG 3.42Å; M270-R274 PolarHBondContact O-N 2.94Å; R274-K278 WeakPolarHBondContact O-CB 3.45Å; R274-K278 PolarHBondContact O-N 3.28Å
275K77.1Confident74.7Confident137 Ų137105.8 Ų105.860%0.59654%0.537SS*.Hα-helixtrans-67-43.1175.1-170.2171.1-178175.20111.6C271 R272 E273 K278 T279C271-K275 WeakPolarHBondContact O-CB 3.36Å; C271-K275 PolarHBondContact O-N 3.15Å; R272-K275 PolarHBondContact O-N 3.15Å; E273-K275 VanDerWaalsContact C-N 3.29Å; E273-K275 PolarHBondContact O-N 2.84Å; K275-K278 PolarHBondContact O-N 2.84Å; K275-T279 PolarHBondContact O-N 2.89Å; K275-T279 PolarHBondContact O-OG1 2.95Å
276A74.5Confident72.8Confident55 Ų55105 Ų10546%0.45555%0.552SS.*Hα-helixtrans-61.9-43.4176.300000112.3R272 E273 K278 T279 A280R272-A276 PolarHBondContact O-N 2.87Å; E273-A276 WeakPolarHBondContact O-CB 3.25Å; E273-A276 PolarHBondContact O-N 2.91Å; E273-A276 VanDerWaalsContact O-N 3.12Å; A276-K278 PolarHBondContact O-N 3.44Å; A276-T279 WeakPolarHBondContact CA-OG1 3.5Å; A276-T279 PolarHBondContact O-N 3.21Å; A276-T279 PolarHBondContact O-OG1 3.33Å; A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.39Å
277H67.9Low70.8Confident134 Ų134102 Ų10262%0.6256%0.557SS**Hα-helixtrans-64.7-37.1173.8-69.6-62.7000112.5E273 A280 A281E273-H277 PolarHBondContact O-CD2 3.12Å; E273-H277 PolarHBondContact O-N 2.76Å; H277-A280 PolarHBondContact O-N 3.32Å; H277-A281 WeakPolarHBondContact O-CB 3.44Å; H277-A281 PolarHBondContact O-N 3.05Å
278K68.1Low68.4Low168 Ų168108.1 Ų108.173%0.7359%0.59SS**Hα-helixtrans-64.6-39.9174.8-171.1173.6-179.6179.10112.2R274 K275 A276 A282R274-K278 WeakPolarHBondContact O-CB 3.45Å; R274-K278 PolarHBondContact O-N 3.28Å; K275-K278 PolarHBondContact O-N 2.84Å; A276-K278 PolarHBondContact O-N 3.44Å; K278-A282 PolarHBondContact O-N 3.36Å
279T65.9Low66.3Low95 Ų95110.9 Ų110.958%0.58361%0.612SS**Hα-helixtrans-70.1-32.517445.30000113.1K275 A276K275-T279 PolarHBondContact O-N 2.89Å; K275-T279 PolarHBondContact O-OG1 2.95Å; A276-T279 WeakPolarHBondContact CA-OG1 3.5Å; A276-T279 PolarHBondContact O-N 3.21Å; A276-T279 PolarHBondContact O-OG1 3.33Å
280A62.9Low63.8Low64 Ų64107 Ų10753%0.52961%0.612SS.*Hα-helixtrans-72.3-33.1175.700000112.9A276 H277 G283A276-A280 WeakPolarHBondContact O-CB 3.36Å; A276-A280 PolarHBondContact O-N 3.39Å; H277-A280 PolarHBondContact O-N 3.32Å; A280-G283 PolarHBondContact O-N 3.13Å
281A59.2Low61.6Low59 Ų59110.7 Ų110.749%0.48863%0.633SS.*Hα-helixtrans-67-45.5174.200000111.7H277 G283 K284H277-A281 WeakPolarHBondContact O-CB 3.44Å; H277-A281 PolarHBondContact O-N 3.05Å; A281-G283 PolarHBondContact O-N 3.19Å; A281-K284 PolarHBondContact O-N 2.95Å; A281-K284 VanDerWaalsContact O-N 3.09Å
282A56.1Low59.2Low78 Ų78116.2 Ų116.265%0.64567%0.666SS**THydrogen-bonded Turntrans-62-14.2177.900000114.3K278K278-A282 PolarHBondContact O-N 3.36Å
283G56.2Low57Low62 Ų62117.1 Ų117.164%0.63968%0.678SS**THydrogen-bonded Turntrans-88.23.9175.500000115.4A280 A281A280-G283 PolarHBondContact O-N 3.13Å; A281-G283 PolarHBondContact O-N 3.19Å
284K55.8Low54.7Low183 Ų183118.1 Ų118.180%0.79670%0.695SS**THydrogen-bonded Turntrans-108.6-25.1179.9-74-162.5170.4-167.60115.3A281 G286A281-K284 PolarHBondContact O-N 2.95Å; A281-K284 VanDerWaalsContact O-N 3.09Å; K284-G286 PolarHBondContact O-N 3.4Å
285D50.1Low52.6Low150 Ų150119.6 Ų119.680%0.80271%0.713SS**  trans-89.629.3176.5-55-42000111.9G287D285-G287 PolarHBondContact O-N 2.68Å
286G51.6Low50.3Low81 Ų81116.6 Ų116.684%0.83572%0.72SS**  trans-81.65817800000112.5K284K284-G286 PolarHBondContact O-N 3.4Å
287G47.1Very low48.2Very low64 Ų64124.5 Ų124.566%0.6675%0.745SS**  trans-146.3114.8-175.600000113.6D285D285-G287 PolarHBondContact O-N 2.68Å
288L40.7Very low46.4Very low156 Ų156121.6 Ų121.682%0.81774%0.74SS**SBendtrans73.596.1167.2-159.679.5000117.9
289L47.5Very low44.5Very low158 Ų158122.8 Ų122.883%0.82775%0.745SS**  trans58.9148.8140.9-53.5177.3000119.1
290S36.8Very low43.4Very low97 Ų97123.3 Ų123.368%0.67875%0.75SS**  cis-150.9163.46.350.10000111.1
291D41.5Very low42.3Very low160 Ų160125.3 Ų125.386%0.85677%0.767SS**  trans-68.2130.8173.1-48.8-89.7000113.4
292T36.1Very low41Very low136 Ų136131.2 Ų131.283%0.83478%0.781SS**  trans-151.7125.315550.50000110
293E40.1Very low39.8Very low192 Ų192135.7 Ų135.790%0.89779%0.789SS**  trans-85132.5172.9-59.8177.9102.200111.4
294S34.5Very low38.3Very low113 Ų113138.9 Ų138.979%0.7980%0.8SS**  trans-170.9119147.1-89.30000114.6
295L34.3Very low37.1Very low170 Ų170134.9 Ų134.989%0.8980%0.795SS**  trans33.797.4133.9-58.4175.7000119.4
296G30.3Very low36.2Very low73 Ų73133.9 Ų133.975%0.75379%0.789SS**  63.1109.1114.800000120.2
297F29Very low35.2Very low221 Ų221135.3 Ų135.397%0.96978%0.783SS**  trans-138.6153.5147.8-123.6-88.8000110.4
298S30.3Very low34.6Very low74 Ų74142.1 Ų142.152%0.51780%0.795SS.*  trans-127.6155.7-176.1-170.90000112.2
299F28.1Very low34.1Very low193 Ų193144.4 Ų144.485%0.84680%0.798SS**  trans68.3163173.5-50.5-71000116.9
300P42.6Very low33.2Very low105 Ų105145.8 Ų145.868%0.68280%0.798SS**  cis-115.5171.3-11.838.2-26.4000113.2K302P300-K302 PolarHBondContact O-N 2.82Å
301A41.2Very low32.8Very low106 Ų106153.1 Ų153.188%0.87681%0.811SS**  trans-70.1124.9167.200000110.9
302K30.9Very low32.3Very low183 Ų183152.8 Ų152.880%0.79681%0.808SS**  trans-137153.8162-75.6-165.1177-175.80111.5P300P300-K302 PolarHBondContact O-N 2.82Å
303E30.6Very low31.9Very low172 Ų172155.5 Ų155.580%0.80481%0.808SS**  trans-45.4122.8-170.3-60.9153.8129.200114.9S305E303-S305 PolarHBondContact O-N 2.74Å
304C25.4Very low31.3Very low129 Ų129152.1 Ų152.187%0.87280%0.801SS**  trans-78.366.6166.9-79.90000111.5L306C304-L306 PolarHBondContact O-N 3.09Å
305S30.4Very low31Very low99 Ų99152.5 Ų152.569%0.69280%0.804SS**  trans-63112169-66.60000110.2E303E303-S305 PolarHBondContact O-N 2.74Å
306L31.1Very low30.5Very low129 Ų129151.7 Ų151.768%0.67580%0.8SS**  trans-71.1128.3179.6-72.6169.4000110.7C304 K308C304-L306 PolarHBondContact O-N 3.09Å; L306-K308 PolarHBondContact O-N 2.88Å
307P31Very low30.7Very low111 Ų111157.6 Ų157.672%0.72181%0.805SS**  trans-74.1125.6-175.228.3-34.4000112.1K309P307-K309 PolarHBondContact O-N 2.82Å; P307-K309 VanDerWaalsContact O-N 3.09Å
308K33.5Very low30.6Very low207 Ų207152.4 Ų152.490%0.980%0.796SS**  trans-67.8101.4167-68.9-178.8178.71790109.2L306 K310L306-K308 PolarHBondContact O-N 2.88Å; K308-K310 PolarHBondContact O-N 3.48Å
309K30.8Very low30.6Very low205 Ų205157.6 Ų157.689%0.89181%0.812SS**  trans-68.589173.1-80.4-167.1173.4-173.90111.2P307 R311P307-K309 PolarHBondContact O-N 2.82Å; P307-K309 VanDerWaalsContact O-N 3.09Å; K309-R311 PolarHBondContact O-N 3.33Å
310K29.8Very low30.4Very low187 Ų187153.9 Ų153.981%0.81381%0.809SS**  trans-62.2126.7153.1-90.2-171.4173.2-176.80108.2K308 L312K308-K310 PolarHBondContact O-N 3.48Å; K310-L312 HydrophobicContact CB-CD1 4.49Å; K310-L312 PolarHBondContact O-N 2.92Å
311R27.5Very low29.6Very low251 Ų251152.9 Ų152.995%0.94781%0.81SS**  trans-81.388.6171.7-177.1-178.6-175.1174.70.8108.4K309K309-R311 PolarHBondContact O-N 3.33Å
312L30Very low29Very low153 Ų153155.7 Ų155.780%0.80181%0.809SS**  trans-80.9146168-113.880.6000110.4K310K310-L312 HydrophobicContact CB-CD1 4.49Å; K310-L312 PolarHBondContact O-N 2.92Å
313K28.1Very low28.8Very low193 Ų193152.5 Ų152.584%0.83981%0.809SS**  trans-95.3147.9176.1-166.2173.5178.6-1760109.5
314T28Very low28.7Very low120 Ų120148.8 Ų148.874%0.73681%0.808SS**  trans-44.6137.2178.947.90000114.8
315S27.2Very low28.7Very low122 Ų122147.3 Ų147.385%0.85381%0.805SS**  trans-128.7116.8145.3-175.10000107
316D25.6Very low28.6Very low153 Ų153146.9 Ų146.982%0.81881%0.808SS**  trans-84169.8178.4-116.3-60.6000112
317K33.5Very low28.4Very low197 Ų197146.3 Ų146.386%0.85781%0.81SS**  trans-111.8110.4-168-170.7178.4-176179.80112.1
318S26.7Very low28.3Very low112 Ų112148.8 Ų148.878%0.78381%0.812SS**  trans-85.7154.8167.755.50000112.4
319Q30.7Very low28.1Very low183 Ų183144.8 Ų144.886%0.85580%0.801SS**  trans-77179.7-175.1-56.7150.4-4.200110.6
320C23.7Very low28Very low114 Ų114141 Ų14177%0.7779%0.794SS**  cis-162.7-163.520.4-152.70000112.2
321A26.8Very low27.9Very low85 Ų85135.9 Ų135.970%0.70279%0.787SS**  trans70.4126.1177.400000116
322L26.9Very low27.9Very low165 Ų165130.3 Ų130.386%0.86478%0.781SS**  cis91.5102.132.9-70.4170.1000114.8
323S28Very low27.9Very low115 Ų115129.4 Ų129.480%0.80478%0.782SS**  169.9143.7121.8620000113
324A27.8Very low28Very low94 Ų94124.4 Ų124.478%0.77778%0.776SS**  trans48.9130.516000000119.9
325A26.4Very low28.2Very low98 Ų98123.7 Ų123.781%0.8178%0.776SS**  cis87.5148.932.600000115.2
326A27.2Very low28.4Very low91 Ų91125.8 Ų125.875%0.75278%0.777SS**  trans65.6140-173.200000115.3
327T27.3Very low28.5Very low117 Ų117121.8 Ų121.872%0.71877%0.772SS**  cis146.5133.4-20.139.50000107.5
328E28.6Very low28.2Very low162 Ų162119.7 Ų119.776%0.75777%0.77SS**  trans76.5120146.2-73-172.5-139.600123.5
329N29.3Very low28.4Very low124 Ų124121.5 Ų121.566%0.66377%0.767SS**  85.4120.6118.3-69.5-23.5000124.9
330V28.9Very low28.4Very low124 Ų124117.3 Ų117.375%0.75275%0.751SS**  7992.5125.3-179.30000120.7
331A27.6Very low28.8Very low80 Ų80120.7 Ų120.766%0.66175%0.748SS**  64.6167.8115.600000124.2
332T28.1Very low28.7Very low135 Ų135123.1 Ų123.183%0.82875%0.745SS**  trans75.2157.6171.977.30000115.6
333V30Very low28.7Very low134 Ų134121 Ų12181%0.81274%0.738SS**  cis-133.6172.39.2-172.40000110.4
334A30.5Very low28.6Very low87 Ų87122.3 Ų122.372%0.71973%0.731SS**  trans-69.2-168.416700000112.6
335S31.7Very low28.6Very low105 Ų105125.1 Ų125.173%0.73473%0.728SS**  cis-173-170.730.2-159.20000113
336L31.5Very low29Very low167 Ų167130.8 Ų130.887%0.87473%0.729SS**  trans76.6137.3168.8-50.4174.6000117.5
337G27.7Very low29.2Very low69 Ų69132.9 Ų132.971%0.71174%0.735SS**  cis132.3107.4-22.300000117
338D27.2Very low29Very low152 Ų152131.6 Ų131.681%0.81373%0.731SS**  trans-146.5120.8157.6-102.8-65.9000105.3
339M31.2Very low29Very low150 Ų150133.6 Ų133.674%0.73974%0.737SS**  68.4132.776.9-61.2-99.187.200113.5
340D29.6Very low28.8Very low96 Ų96134 Ų13451%0.51374%0.737SS.*  cis-165.6166.8-20.3-158.46.5000108.9
341R31.6Very low28.5Very low185 Ų185137.5 Ų137.570%0.69875%0.746SS**  trans64.6153.8149.7-79.1173.8151.291.59.9122.1
342E26.3Very low28.4Very low136 Ų136138.5 Ų138.564%0.63675%0.747SS**  cis-162158.2-26.4-128.2179.9140.800110.4
343V25.9Very low28.4Very low120 Ų120139.2 Ų139.273%0.72775%0.745SS**  trans38.2126.3142.7163.50000120.8
344E26.3Very low28.5Very low142 Ų142138.1 Ų138.166%0.66474%0.74SS**  cis-142.4-98.8-14.5-169.7-139.7130.400110.5R346E344-R346 PolarHBondContact OE1-N 3.21Å; E344-R346 VanDerWaalsContact OE1-N 3.17Å
345Q28.4Very low28.4Very low153 Ų153140.5 Ų140.572%0.71574%0.74SS**  cis-145.7147-20.3-165.5134.586.100113.5
346R33.4Very low28Very low217 Ų217145 Ų14582%0.81974%0.743SS**  trans-110.6155.5168.3-67.3178.8174.2161.3-1.2112.5E344E344-R346 PolarHBondContact OE1-N 3.21Å; E344-R346 VanDerWaalsContact OE1-N 3.17Å
347P32Very low27.7Very low135 Ų135142.7 Ų142.788%0.87774%0.735SS**  -144.2179.3107.538.4-24000115.4
348S23.9Very low27.6Very low91 Ų91145.2 Ų145.264%0.63674%0.736SS**  trans-114.6148.5-165.555.40000115.7
349K27Very low27.7Very low204 Ų204144 Ų14489%0.88774%0.735SS**  trans-149.1131.5142.1-82.4-175177.5-177.90106.5
350I25.1Very low27.7Very low131 Ų131141.2 Ų141.267%0.67273%0.73SS**  cis67.296.218.8-45.9179.5000114.2
351E24.3Very low27.7Very low198 Ų198145.8 Ų145.893%0.92575%0.745SS**  trans-150144.6142.3-153.3154.1-122.300107.6
352C24.1Very low27.4Very low102 Ų102143.3 Ų143.369%0.68975%0.75SS**  trans-144137.4-158.4-63.90000114.8
353L27.7Very low27.3Very low150 Ų150142.6 Ų142.679%0.78576%0.755SS**  trans64151.9158.5-64.5167.3000116.7
354P34.2Very low27.2Very low110 Ų110143.4 Ų143.471%0.71475%0.749SS**  -109.1154.273.6-7.829.2000114.4
355L26.7Very low27.1Very low137 Ų137143.4 Ų143.472%0.71775%0.754SS**  65.5134.772.5-51.4177.3000113.4
356Y24.4Very low27Very low200 Ų200142.9 Ų142.978%0.78475%0.751SS**  cis-166.3-173.40.6-145.1-129.7000112.2
357V24.6Very low26.6Very low118 Ų118143.2 Ų143.272%0.71575%0.754SS**  trans72.3114167.4176.60000115.7
358V25.4Very low26.4Very low122 Ų122141.7 Ų141.774%0.73974%0.742SS**  81130.951.2173.10000112.6
359T28.9Very low26.5Very low127 Ų127144.4 Ų144.478%0.77975%0.746SS**  cis-105-158.89.761.40000111.3
360S32.4Very low26.4Very low91 Ų91138 Ų13864%0.63673%0.732SS**  cis-159.6171.2-9.9-132.50000106.9
361K28.3Very low26.6Very low192 Ų192139.4 Ų139.484%0.83574%0.74SS**  cis77144.918.4-60.3-173.8-179.6-177.90114.7
362V25.5Very low26.7Very low133 Ų133139 Ų13981%0.80673%0.732SS**  cis-120.8168.234.1174.90000114
363V24.6Very low27.2Very low122 Ų122139.6 Ų139.674%0.73974%0.737SS**  trans-140152.4-176.8164.90000108.9
364K24.9Very low27.1Very low137 Ų137138.5 Ų138.560%0.59674%0.736SS**  trans67162.1-179.6-80.3165166.8-79.40114.2E366K364-E366 IonicContact NZ-OE1 2.63Å; K364-E366 PolarHBondContact NZ-OE1 3.4Å; K364-E366 IonicContact NZ-OE2 3.05Å; K364-E366 PolarHBondContact NZ-OE2 3.21Å
365D23.7Very low26.7Very low142 Ų142137.2 Ų137.276%0.75974%0.735SS**  cis-102.2164.82.7-55.9-64.7000111.8
366E26.2Very low26.8Very low142 Ų142138.1 Ų138.166%0.66474%0.74SS**  cis77.590.431.7-122.1165.8-9600115.3K364K364-E366 IonicContact NZ-OE1 2.63Å; K364-E366 PolarHBondContact NZ-OE1 3.4Å; K364-E366 IonicContact NZ-OE2 3.05Å; K364-E366 PolarHBondContact NZ-OE2 3.21Å
367Y25.3Very low27.5Very low223 Ų223133.2 Ų133.288%0.87573%0.733SS**  trans-143.1149.3148.4-155.3-100.2000111.3
368V28.4Very low27.5Very low103 Ų103134.5 Ų134.562%0.62474%0.735SS**  trans-117.4144.2-170.6173.80000109.7
369M25.2Very low27.7Very low148 Ų148135.5 Ų135.573%0.72974%0.742SS**  trans-143.2135.3143.1-89.3-58-79.200108.6
370A25.6Very low27.6Very low71 Ų71133.9 Ų133.959%0.58774%0.736SS**  trans-115.417518000000110.8
371D28.3Very low27.4Very low159 Ų159135.1 Ų135.185%0.8575%0.745SS**  trans-67.7131-173.7-45.8-88.9000114
372Y25.5Very low27.3Very low191 Ų191129.2 Ų129.275%0.74974%0.738SS**  trans-158150.1142.638.2-100000112.3
373S34.6Very low27.4Very low113 Ų113133.9 Ų133.979%0.7974%0.741SS**  trans-103-150.8-175-50.10000112.2
374V26.2Very low27.7Very low128 Ų128135.4 Ų135.478%0.77674%0.74SS**  trans81.693.5-176.8-169.60000111.7
375A27Very low28.1Very low83 Ų83136.8 Ų136.869%0.68675%0.753SS**  72.6136.478.700000112.6
376L28.1Very low28.3Very low155 Ų155133.2 Ų133.281%0.81275%0.75SS**  -179.9179.881.8-79.8169.2000108.1
377P38.9Very low28.6Very low98 Ų98135.2 Ų135.264%0.63676%0.764SS**  cis-135.9170.3-47.339.1-23.5000114.3
378D25.1Very low28.7Very low144 Ų144128.6 Ų128.677%0.7776%0.764SS**  trans27.8120.1141.9-51.1-31.8000122.4
379T28.1Very low28.7Very low143 Ų143126.8 Ų126.888%0.87777%0.766SS**  169.5150.3112.634.30000109.5
380S27Very low28.9Very low94 Ų94128.1 Ų128.166%0.65777%0.771SS**  cis-162160.9-23.767.80000108
381S29.3Very low29.1Very low117 Ų117131.7 Ų131.782%0.81878%0.78SS**  trans65.5136.5166.8-44.60000116
382G24.9Very low29.3Very low68 Ų68132 Ų13270%0.70178%0.781SS**  cis97.7128.67.800000111.9
383R29Very low29.4Very low231 Ų231127.9 Ų127.987%0.87278%0.78SS**  trans102.2148.1-179.3-67.1-165.1170.5-142-3.5116.4
384Q30.3Very low29.1Very low153 Ų153127.7 Ų127.772%0.71578%0.778SS**  cis-163.5167.3-31.5-154.4165.1-4700109.5
385L32.6Very low29.3Very low166 Ų166131 Ų13187%0.86979%0.786SS**  trans-68.1137.3155.1-76.2159000111.2
386G27.8Very low29.5Very low67 Ų67135.1 Ų135.169%0.69179%0.791SS**  trans112.3123.7136.900000120.1
387L33Very low29.6Very low184 Ų184134.8 Ų134.896%0.96379%0.788SS**  trans71.9138.6141.7-52.6177.1000120.6
388G27Very low29.3Very low85 Ų85140 Ų14088%0.87680%0.796SS**  trans79.1147.8-179.800000113.4
389G28.8Very low29.8Very low65 Ų65138.3 Ų138.367%0.6779%0.793SS**  cis175.9158.4-400000110.3
390E29.5Very low30.1Very low175 Ų175137.8 Ų137.882%0.81879%0.793SS**  trans36.5116.7161.663.8-154.912000123.1
391N29.9Very low30.2Very low146 Ų146142.7 Ų142.778%0.78180%0.802SS**  trans48122.3131.5-47.3-37.5000120
392L32.9Very low30.4Very low166 Ų166145.7 Ų145.787%0.86981%0.808SS**  177.4163.680-87.7176.8000112.2
393S26.7Very low30.6Very low105 Ų105149 Ų14973%0.73481%0.814SS**  trans51.7105.6156.6-153.20000118.4
394S29.3Very low30.9Very low108 Ų108146 Ų14676%0.75582%0.815SS**  58105.976-54.10000114.9
395E30.5Very low30.8Very low199 Ų199148.7 Ų148.793%0.9382%0.824SS**  -166.3167.8110.2-108.3-170128.200113.4
396E31.6Very low30.8Very low169 Ų169150 Ų15079%0.7982%0.823SS**  trans-101.4-177.3-162.4-173175.2-153.300112.9
397I30Very low30.8Very low148 Ų148152.7 Ų152.776%0.75983%0.825SS**  trans122.3147.4150.7-61.4161.9000117.3
398Y31.3Very low31.3Very low206 Ų206149.8 Ų149.881%0.80882%0.817SS**PPolyproline II helixtrans-80.4164.7-162.8-85.1-108.1000116.5
399P36.4Very low31.6Very low109 Ų109155.5 Ų155.571%0.70882%0.818SS**PPolyproline II helixtrans-78.3152.8-175.331.9-37.4000115.3
400P34.2Very low31.5Very low133 Ų133163.6 Ų163.686%0.86483%0.829SS**PPolyproline II helixtrans-81.3158.2-178.433-36000114.5
401K29.6Very low31.5Very low197 Ų197160 Ų16086%0.85782%0.822SS**PPolyproline II helixtrans-94.8154.9-175-62.8169.3-177.3171.40112.6
402L32.2Very low31.3Very low180 Ų180160.8 Ų160.894%0.94283%0.826SS**PPolyproline II helixtrans-67.9138.8168.6-65.3172.4000111.3
403V30Very low31Very low136 Ų136161.2 Ų161.282%0.82482%0.821SS**  trans-137.5129.4171.2-177.40000110.1
404L34.4Very low31.1Very low170 Ų170163.4 Ų163.489%0.8982%0.819SS**  trans-83.6145.8176-78.3161.4000111.9
405K29.5Very low31.9Very low209 Ų209163.3 Ų163.391%0.90982%0.816SS**  trans-135.9155.7165-108.4176.3177175.50110.7
406K32Very low31.6Very low193 Ų193159.8 Ų159.884%0.83981%0.808SS**  trans-153.3170.5-164.3-170.2-178.2178.3179.70109.7
407V28.8Very low31.3Very low123 Ų123159.9 Ų159.975%0.74581%0.809SS**  trans81.3147.7165.7-172.50000114.5
408P42.4Very low32.1Very low123 Ų123158 Ų15880%0.79981%0.807SS**  cis-128.1-171.7-7.527.7-3.9000117.4
409K34.1Very low31.8Very low205 Ų205156.6 Ų156.689%0.89181%0.807SS**  trans-82.1169.8-178.2-43.2166.4178.7177.70116.7
410R27Very low32.3Very low236 Ų236157 Ų15789%0.89181%0.81SS**  trans-163.6122.4134.8-95.7-180171.9153.9-1.5107.7
411S28.2Very low33.4Very low98 Ų98156.2 Ų156.269%0.68581%0.805SS**  73.5137.263.873.60000113.9
412L27Very low33.3Very low163 Ų163156.3 Ų156.385%0.85381%0.808SS**  cis-133.7-157.525.7-147.160.2000109.5
413K25Very low33.3Very low175 Ų175152.4 Ų152.476%0.76180%0.796SS**  cis-159.8177.41.8-160.1-141.9163.7-162.30110.1
414Q28.6Very low33Very low151 Ų151154.1 Ų154.171%0.70680%0.8SS**  trans-128.4-176.5173.2-62.9172.7-73.200112.5
415P48Very low32.6Very low107 Ų107151.4 Ų151.470%0.69579%0.794SS**  -124.8-172.282.140.3-30.2000112.5
416T22.4Very low33.2Very low124 Ų124146.8 Ų146.876%0.76179%0.785SS**  cis-143.7-132.416-34.30000112.9
417E26Very low32.9Very low171 Ų171145 Ų14580%0.79978%0.784SS**  trans-164.3178.3-158.3-110.1-170.4127.400110
418P46.5Very low32.7Very low110 Ų110144.7 Ų144.771%0.71479%0.787SS**  cis-133.2178.7-1.929.8-6.4000117.2
419E25.3Very low32Very low176 Ų176143.4 Ų143.482%0.82278%0.781SS**  trans-85.1-159.9173.2-54.5-67.1164.600111.1
420P48Very low31.7Very low118 Ų118142.3 Ų142.377%0.76678%0.777SS**  cis-142.1-132.47.148-22.7000115.2
421P56.1Low31.8Very low116 Ų116138.5 Ų138.575%0.75377%0.769SS**  trans-137.5-173.9-13742.2-18.1000118.6
422E27.4Very low32.1Very low198 Ų198141 Ų14193%0.92578%0.775SS**  trans-168.2-176134.5-118.2178.6-161.300113.7
423S31.6Very low32Very low99 Ų99137.7 Ų137.769%0.69276%0.764SS**  trans-133.3151.1-161.763.50000115.9
424L24.4Very low32.3Very low171 Ų171138.1 Ų138.190%0.89577%0.766SS**  trans170.2164.6131-92.6168.6000113.8
425C25.9Very low32.1Very low114 Ų114136.5 Ų136.577%0.7777%0.766SS**  trans-108161.6166.3-84.70000108.4
426P43Very low31Very low111 Ų111136.1 Ų136.172%0.72176%0.762SS**  -160.4173.95744.3-22.3000120.7
427L25.4Very low31.2Very low157 Ų157139.9 Ų139.982%0.82276%0.762SS**  trans59.5144144-74.1166.1000123.6
428S24.5Very low31.2Very low115 Ų115140.9 Ų140.980%0.80476%0.76SS**  trans66.4155159.365.70000117.7
429S27.7Very low30.4Very low96 Ų96140.3 Ų140.367%0.67176%0.755SS**  cis-171.5153.7-17.147.20000110.8
430F27.6Very low30.5Very low183 Ų183140 Ų14080%0.80375%0.751SS**  trans67.8146.7151.1-95.5-114.9000121.6
431E30.2Very low29.5Very low155 Ų155141.7 Ų141.772%0.72475%0.748SS**  trans43.3113.1149.6-74.2171.3-165.700122.7
432D33.5Very low28.8Very low151 Ų151143.1 Ų143.181%0.80775%0.748SS**  51.9154.9114.7-76.6-16.5000124.7
433C25.8Very low29Very low93 Ų93139.9 Ų139.963%0.62874%0.742SS**  trans79132.1153.5-95.90000120.7
434K29.5Very low29Very low185 Ų185139.5 Ų139.580%0.80473%0.732SS**  trans73.5155.5138.3-68.8168.6-172.1158.60116.5
435V25Very low29.7Very low117 Ų117139 Ų13971%0.70972%0.722SS**  cis-163.8140.5-14.41140000112.8
436T26.2Very low30.1Very low98 Ų98140.3 Ų140.360%0.60172%0.717SS**  trans60142.8153.664.90000125.9
437R26.7Very low29.7Very low204 Ų204138.1 Ų138.177%0.7772%0.715SS**  108.6158.6120.6-99.3164-169.9153.5-0121.9
438Y25.7Very low30.2Very low191 Ų191135.5 Ų135.575%0.74970%0.701SS**  trans72110.3-179.1-56.8-80.9000114.3
439T28.4Very low30.8Very low99 Ų99134.4 Ų134.461%0.60769%0.686SS**  69.7141.257.273.60000112.9
440F28.6Very low31Very low169 Ų169136.4 Ų136.474%0.74169%0.689SS**  cis-136.4-164.114.2-53.3-101.6000109.4
441E26.9Very low31.3Very low153 Ų153133 Ų13372%0.71568%0.683SS**  cis-157.5169.10.1-162.544.1-81.100111.5
442I41.8Very low31.3Very low147 Ų147132.6 Ų132.675%0.75469%0.686SS**  trans-140.6146171.6-55.5172.6000111.2
443V31.4Very low31.2Very low129 Ų129131.4 Ų131.478%0.78268%0.684SS**  trans-172.9141.8160.6129.30000109.7
444D31.7Very low31.4Very low92 Ų92130.7 Ų130.749%0.49268%0.684SS.*  cis-151.4149.5-17.2-108.79.9000109.5
445K39.3Very low31.4Very low160 Ų160129.1 Ų129.170%0.69669%0.685SS**  58.4156.487.4-49.9-170.4-160.789.60115.3
446Q32.6Very low31.6Very low141 Ų141128.3 Ų128.366%0.65968%0.684SS**  cis-118-175.610.1-121.381.5-3.700111.2
447G34.4Very low31.6Very low66 Ų66130.4 Ų130.468%0.6869%0.692SS**  cis118.9158.815.400000111.5
448L36.8Very low31.8Very low101 Ų101128.1 Ų128.153%0.52969%0.694SS.*  cis-173.1171.2-13.3-156.470.8000109.8T662L448-T662 VanDerWaalsContact CB-O 3.25Å; L448-T662 WeakPolarHBondContact CB-O 3.36Å
449L37.7Very low31.8Very low92 Ų92127.2 Ų127.248%0.48270%0.697SS.*  trans74.7142.5161.4-57.1-173.2000119T662L449-T662 HydrophobicContact CD1-CG2 3.78Å
450D31.1Very low32.9Very low139 Ų139127.3 Ų127.374%0.74370%0.699SS**  cis95.115229.5-72.3-7.2000113.5
451V33.8Very low32.9Very low111 Ų111124.9 Ų124.967%0.67370%0.698SS**  cis-165.6172-14.3133.70000107.6
452D31Very low32.9Very low146 Ų146124.7 Ų124.778%0.78170%0.702SS**  trans130.1147.6155.6-79-28.5000115.4
453V31.4Very low32.3Very low127 Ų127122.3 Ų122.377%0.7770%0.704SS**  cis-166.4171.7-29102.90000110.3
454A29.9Very low32.2Very low77 Ų77124.1 Ų124.164%0.63671%0.709SS**  trans86.7103161.900000122.5
455N29.9Very low32.7Very low152 Ų152126 Ų12681%0.81373%0.726SS**  56.6129.5121.7-58.83.2000124.6
456S29.1Very low32.1Very low100 Ų100122.2 Ų122.270%0.69973%0.733SS**  trans61.3127.1132.4-60.80000119.7
457D26.1Very low31.8Very low143 Ų143118.9 Ų118.977%0.76574%0.736SS**  cis-164.9159.645.1-91.9-41.9000114.7
458L31Very low31.5Very low155 Ų155124.9 Ų124.981%0.81275%0.746SS**  trans18.8123.1150.5-51.9175.9000123.7
459E25.5Very low31Very low172 Ų172126.2 Ų126.280%0.80476%0.758SS**  trans1.7164131.2-63.1-71.2107.100121.3
460P50.6Low30.7Very low101 Ų101131.2 Ų131.266%0.65678%0.777SS**  cis-140.2-151.9-37.640.9-22.1000112.5
461V28.7Very low31.1Very low118 Ų118130.9 Ų130.972%0.71578%0.782SS**  trans139.6127143.4171.20000116.5
462D26.5Very low31Very low149 Ų149130.7 Ų130.780%0.79779%0.792SS**  trans15.7135.5156.2-58.7-32.3000125
463A29.3Very low31.3Very low98 Ų98129.5 Ų129.581%0.8180%0.795SS**  -164.7159.3114.800000112.4
464L30Very low31.7Very low167 Ų167129.1 Ų129.187%0.87480%0.798SS**  trans-113.1-147.3-172.5-62.4170000113.5
465P42.8Very low32.3Very low130 Ų130130.5 Ų130.584%0.84480%0.803SS**  -133.6-179.7-111.642.6-23.4000117
466G27Very low33Very low82 Ų82129.4 Ų129.485%0.84580%0.802SS**  trans160.8158163.500000113.2
467G26Very low34.2Very low70 Ų70132.6 Ų132.672%0.72281%0.805SS**  cis156.6158.1-5.800000112.5
468Q26.6Very low35.3Very low192 Ų192134.8 Ų134.890%0.89780%0.804SS**  trans73.1163.7178.2-40.8-173.524.500115.4
469T28.1Very low36.4Very low129 Ų129132.9 Ų132.979%0.79180%0.795SS**  cis-136.1177.714.1530000114
470K30.5Very low38.2Very low198 Ų198129.6 Ų129.686%0.86178%0.783SS**  trans-104.7158.6171.1-69.3179.5178.21770111.9
471P39.5Very low38.7Very low132 Ų132127.1 Ų127.186%0.85777%0.771SS**  trans-93.2171.1173.237.9-35.7000114.4
472A30.8Very low41.2Very low106 Ų106126.2 Ų126.288%0.87676%0.76SS**  trans-136.4170.5173.500000111.6
473S38.8Very low43.2Very low121 Ų121125 Ų12585%0.84675%0.749SS**  trans-136.9153.4-15856.90000116.7
474S38.8Very low45Very low120 Ų120128.1 Ų128.184%0.83975%0.745SS**  trans-165.2163173.754.30000111.2
475S42.7Very low47Very low106 Ų106125.4 Ų125.474%0.74173%0.731SS**  cis-167.31.3-32.2-166.60000114.6H477S475-H477 PolarHBondContact O-N 3.34Å
476T45.5Very low48.3Very low128 Ų128127.3 Ų127.379%0.78573%0.726SS**  trans-95.736.8-144.555.40000117.9
477H52.8Low50.3Low167 Ų167130.6 Ų130.677%0.77372%0.717SS**  trans-86.7-14.1-167.2-160.3-69.3000116.7S475S475-H477 PolarHBondContact O-N 3.34Å
478Y50Low52.6Low190 Ų190134.3 Ų134.375%0.74571%0.713SS**Hα-helixtrans-86.1-37.6-167.6-163.8-100.9000115M482Y478-M482 HydrophobicContact CE1-CG 4.3Å
479D53.6Low54.5Low114 Ų114134.5 Ų134.561%0.6171%0.706SS**Hα-helixtrans-73.9-41.9-171.1-123.6-31.5000112.9A481 M482 Q483D479-A481 PolarHBondContact O-N 2.84Å; D479-M482 WeakPolarHBondContact O-CB 3.44Å; D479-M482 PolarHBondContact O-N 3.37Å; D479-Q483 PolarHBondContact O-N 3.05Å
480D63.5Low56.5Low104 Ų104135.8 Ų135.856%0.55670%0.697SS**Hα-helixtrans-58.7-36.4178.9-72-13.1000112.3M482 Q483 F484D480-M482 VanDerWaalsContact C-N 3.34Å; D480-M482 PolarHBondContact O-N 3.18Å; D480-Q483 PolarHBondContact O-N 2.75Å; D480-F484 PolarHBondContact O-N 3.07Å
481A61.2Low58.6Low48 Ų48131.5 Ų131.540%0.39768%0.683SS.*Hα-helixtrans-63.8-39.1176.200000112.1D479 F484 L485D479-A481 PolarHBondContact O-N 2.84Å; A481-F484 PolarHBondContact O-N 2.88Å; A481-L485 WeakPolarHBondContact O-CG 3.38Å; A481-L485 PolarHBondContact O-N 2.79Å
482M81Confident59.6Low100 Ų100130.8 Ų130.849%0.49367%0.668SS.*Hα-helixtrans-70.6-37177.1-69.1-63.7-71.700111.8Y478 D479 D480 K486Y478-M482 HydrophobicContact CE1-CG 4.3Å; D479-M482 WeakPolarHBondContact O-CB 3.44Å; D479-M482 PolarHBondContact O-N 3.37Å; D480-M482 VanDerWaalsContact C-N 3.34Å; D480-M482 PolarHBondContact O-N 3.18Å; M482-K486 PolarHBondContact O-N 3.43Å; M482-K486 VanDerWaalsContact O-N 3.14Å
483Q69.6Low60.8Low123 Ų123132.2 Ų132.258%0.57566%0.657SS**Hα-helixtrans-65.6-41.4174.1-64.9-168.249.600112.1D479 D480 L485 K486 K487D479-Q483 PolarHBondContact O-N 3.05Å; D480-Q483 PolarHBondContact O-N 2.75Å; Q483-L485 PolarHBondContact O-N 3.05Å; Q483-K486 PolarHBondContact O-N 2.63Å; Q483-K487 PolarHBondContact O-N 2.74Å
484F67Low62.1Low163 Ų163129.2 Ų129.272%0.71563%0.633SS**Hα-helixtrans-60.3-45175.8-111.2-88.1000112.8D480 A481 K486 K487 K488D480-F484 PolarHBondContact O-N 3.07Å; A481-F484 PolarHBondContact O-N 2.88Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 2.94Å; F484-K487 PolarHBondContact O-N 3.08Å; F484-K488 WeakPolarHBondContact O-CB 3.36Å; F484-K488 PolarHBondContact O-N 3.47Å
485L70.8Confident63Low111 Ų111126.2 Ų126.258%0.58162%0.616SS**Hα-helixtrans-63-37.1176.9-73.8167.9000112.2A481 Q483 R489A481-L485 WeakPolarHBondContact O-CG 3.38Å; A481-L485 PolarHBondContact O-N 2.79Å; Q483-L485 PolarHBondContact O-N 3.05Å; L485-R489 PolarHBondContact O-N 3.37Å
486K69.6Low63.3Low169 Ų169127.5 Ų127.574%0.73561%0.611SS**Hα-helixtrans-67.5-45.1175.7-163.5174.5-176.8179.90111.8M482 Q483 F484 K488 R489 Y490M482-K486 PolarHBondContact O-N 3.43Å; M482-K486 VanDerWaalsContact O-N 3.14Å; Q483-K486 PolarHBondContact O-N 2.63Å; F484-K486 VanDerWaalsContact C-N 3.31Å; F484-K486 PolarHBondContact O-N 2.94Å; K486-K488 VanDerWaalsContact C-N 3.34Å; K486-K488 PolarHBondContact O-N 3.47Å; K486-R489 PolarHBondContact O-N 3Å; K486-Y490 PolarHBondContact O-N 3.44Å
487K70.8Confident63.4Low151 Ų151124.8 Ų124.866%0.65760%0.602SS**Hα-helixtrans-62.7-38.4176.7-165.6167.5-175.3171.50111.9Q483 F484 Y490 L491Q483-K487 PolarHBondContact O-N 2.74Å; F484-K487 PolarHBondContact O-N 3.08Å; K487-Y490 PolarHBondContact O-N 3.13Å; K487-L491 PolarHBondContact O-N 3.39Å
488K73Confident63.2Low148 Ų148123 Ų12364%0.64360%0.598SS**Hα-helixtrans-63.4-42.6176.6-169.7172-177.5176.10113.1F484 K486 Q492F484-K488 WeakPolarHBondContact O-CB 3.36Å; F484-K488 PolarHBondContact O-N 3.47Å; K486-K488 VanDerWaalsContact C-N 3.34Å; K486-K488 PolarHBondContact O-N 3.47Å; K488-Q492 PolarHBondContact O-N 3.24Å; K488-Q492 VanDerWaalsContact O-N 3.13Å
489R66.3Low63Low196 Ų196120.4 Ų120.474%0.7460%0.597SS**Hα-helixtrans-65.4-37.9176.6-74.1-167.8-176.9-177.12.9113L485 K486 Q492 Q493L485-R489 PolarHBondContact O-N 3.37Å; K486-R489 PolarHBondContact O-N 3Å; R489-Q492 WeakPolarHBondContact O-CB 3.47Å; R489-Q492 PolarHBondContact O-N 3.03Å; R489-Q493 PolarHBondContact O-N 3.18Å; R489-Q493 VanDerWaalsContact O-N 3.09Å
490Y71.5Confident62.4Low156 Ų156122 Ų12261%0.61261%0.606SS**Hα-helixtrans-62.8-47178.3-174.6-104000111.8K486 K487 Q492 Q493 V494K486-Y490 PolarHBondContact O-N 3.44Å; K487-Y490 PolarHBondContact O-N 3.13Å; Y490-Q492 VanDerWaalsContact C-N 3.32Å; Y490-Q492 PolarHBondContact O-N 3.33Å; Y490-Q493 PolarHBondContact O-N 3.26Å; Y490-V494 HydrophobicContact CD1-CG2 4.34Å; Y490-V494 HydrophobicContact CE1-CG2 4.01Å; Y490-V494 WeakPolarHBondContact O-CG2 3.38Å; Y490-V494 PolarHBondContact O-N 2.84Å
491L73.8Confident61.2Low109 Ų109124.4 Ų124.457%0.57162%0.619SS**Hα-helixtrans-62.2-37.5175.7-69.7169.1000112.4K487 Q493 V494 A495K487-L491 PolarHBondContact O-N 3.39Å; L491-Q493 VanDerWaalsContact C-N 3.35Å; L491-Q493 PolarHBondContact O-N 3.36Å; L491-V494 PolarHBondContact O-N 3.41Å; L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 2.84Å
492Q60.9Low60.3Low116 Ų116133.6 Ų133.654%0.54264%0.643SS.*Hα-helixtrans-60.2-42173.9-164.979.15600112K488 R489 Y490 M496K488-Q492 PolarHBondContact O-N 3.24Å; K488-Q492 VanDerWaalsContact O-N 3.13Å; R489-Q492 WeakPolarHBondContact O-CB 3.47Å; R489-Q492 PolarHBondContact O-N 3.03Å; Y490-Q492 VanDerWaalsContact C-N 3.32Å; Y490-Q492 PolarHBondContact O-N 3.33Å; Q492-M496 WeakPolarHBondContact O-CG 3.32Å; Q492-M496 PolarHBondContact O-N 2.98Å
493Q56.8Low58Low137 Ų137136.5 Ų136.564%0.6466%0.66SS**Hα-helixtrans-70.7-40.7178.4-72.2-177.6-57.200112.6R489 Y490 L491 A495 M496 A497R489-Q493 PolarHBondContact O-N 3.18Å; R489-Q493 VanDerWaalsContact O-N 3.09Å; Y490-Q493 PolarHBondContact O-N 3.26Å; L491-Q493 VanDerWaalsContact C-N 3.35Å; L491-Q493 PolarHBondContact O-N 3.36Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 2.91Å; Q493-M496 PolarHBondContact O-N 2.69Å; Q493-A497 PolarHBondContact O-N 2.74Å
494V64.8Low56.2Low58 Ų58141.9 Ų141.935%0.35268%0.677SS.*Hα-helixtrans-63.8-36.5176174.20000111.6Y490 L491 M496 A497 N498Y490-V494 HydrophobicContact CD1-CG2 4.34Å; Y490-V494 HydrophobicContact CE1-CG2 4.01Å; Y490-V494 WeakPolarHBondContact O-CG2 3.38Å; Y490-V494 PolarHBondContact O-N 2.84Å; L491-V494 PolarHBondContact O-N 3.41Å; V494-M496 VanDerWaalsContact C-N 3.31Å; V494-M496 PolarHBondContact O-N 3.03Å; V494-A497 PolarHBondContact O-N 3.07Å; V494-N498 PolarHBondContact O-N 3.05Å
495A58.3Low54.5Low57 Ų57138.5 Ų138.547%0.47168%0.679SS.*Hα-helixtrans-65-31.817500000113.2L491 Q493L491-A495 WeakPolarHBondContact O-CB 3.45Å; L491-A495 PolarHBondContact O-N 2.84Å; Q493-A495 VanDerWaalsContact C-N 3.31Å; Q493-A495 PolarHBondContact O-N 2.91Å
496M48.3Very low52.6Low132 Ų132140.1 Ų140.165%0.6569%0.693SS**Hα-helixtrans-79.7-37.1176.7-63.6-17885.100112Q492 Q493 V494 N498Q492-M496 WeakPolarHBondContact O-CG 3.32Å; Q492-M496 PolarHBondContact O-N 2.98Å; Q493-M496 PolarHBondContact O-N 2.69Å; V494-M496 VanDerWaalsContact C-N 3.31Å; V494-M496 PolarHBondContact O-N 3.03Å; M496-N498 VanDerWaalsContact C-N 3.29Å; M496-N498 PolarHBondContact O-N 3.34Å
497A48.8Very low50.8Low71 Ų71138.8 Ų138.859%0.58769%0.694SS**Hα-helixtrans-70.6-1818000000114.8Q493 V494Q493-A497 PolarHBondContact O-N 2.74Å; V494-A497 PolarHBondContact O-N 3.07Å
498N47.8Very low48.8Very low130 Ų130137.6 Ų137.670%0.69570%0.7SS**THydrogen-bonded Turntrans-89.1-2.1-178.7-83.6-23.7000114.7V494 M496V494-N498 PolarHBondContact O-N 3.05Å; M496-N498 VanDerWaalsContact C-N 3.29Å; M496-N498 PolarHBondContact O-N 3.34Å
499N45.2Very low46.7Very low135 Ų135135.7 Ų135.772%0.72271%0.705SS**SBendtrans-91.7-20-178.4-89.2-9.1000114.7N501N499-N501 PolarHBondContact O-N 3.44Å
500D40.8Very low44.9Very low147 Ų147131.7 Ų131.779%0.78671%0.707SS**SBendtrans-77.830.9-170.2-66.6-36000115.1
501N39.4Very low43Very low155 Ų155132.4 Ų132.483%0.82972%0.719SS**SBendtrans-151.852.5-176.4-155.9-0.7000115.2N499N499-N501 PolarHBondContact O-N 3.44Å
502R41.9Very low40.9Very low242 Ų242131 Ų13191%0.91372%0.724SS**  trans-147.727.9168.9-144.2178172.2171.2-3.1117.2
503D33Very low39.4Very low160 Ų160131.1 Ų131.186%0.85674%0.738SS**  trans-95.2111.3168.3-83.5-52.6000111.9
504Y31.8Very low38.1Very low237 Ų237133 Ų13393%0.92975%0.746SS**  trans-15099.8155.9-112.3-79.4000109.1
505A31.6Very low37.4Very low91 Ų91135.2 Ų135.275%0.75276%0.762SS**  trans-88.8145.7177.600000111.4
506V30.9Very low36Very low145 Ų145137 Ų13788%0.87977%0.771SS**  trans-128.4128.8161.1-179.70000106.8
507N30.3Very low35.1Very low141 Ų141135.1 Ų135.175%0.75478%0.776SS**  trans-135.3113.6-164.8-175.210.6000111.9
508V29.2Very low34.3Very low127 Ų127137.3 Ų137.377%0.7778%0.782SS**  trans-154.9123.9177.9176.20000105.3
509S29.5Very low33.5Very low108 Ų108140 Ų14076%0.75579%0.791SS**  cis-135.3163.810.8-71.10000112.2
510S29.1Very low32.7Very low112 Ų112139.4 Ų139.478%0.78379%0.792SS**  trans-98132.6175.9-59.90000114.3
511I31.8Very low32.3Very low170 Ų170137 Ų13787%0.87279%0.792SS**  trans-152.9134.2157.3-59.3-174.9000106.2
512A28.2Very low31.8Very low81 Ų81136.4 Ų136.467%0.66979%0.794SS**  cis-164.8-176.1-20.600000109.1
513S30.3Very low31.2Very low118 Ų118129.5 Ų129.583%0.82579%0.789SS**  trans55.897.5153.4-540000120.6
514Q29.8Very low31.2Very low175 Ų175126.9 Ų126.982%0.81878%0.783SS**  trans-71.2176.4143-75.3-82.2-14.300110
515P48.3Very low31.2Very low105 Ų105121.6 Ų121.668%0.68278%0.775SS**  cis-143.1173.614.141.7-21.6000119.1
516S29.7Very low31.3Very low96 Ų96124 Ų12467%0.67177%0.774SS**  trans56.2124.9138.366.10000124.3
517A29.8Very low31.1Very low91 Ų91123 Ų12375%0.75276%0.764SS**  -177.2103.812400000109.4
518T31.5Very low31.2Very low117 Ų117123.9 Ų123.972%0.71876%0.763SS**  64.4100.27962.70000117.6
519Q31.3Very low31.4Very low187 Ų187123.8 Ų123.887%0.87476%0.763SS**  trans67.1166.9148.1-55.3-176.44.300115.3
520V29.2Very low31.6Very low123 Ų123125.2 Ų125.275%0.74577%0.767SS**  cis-135.5150.719.8170.40000110.9V522V520-V522 HydrophobicContact CG1-CG2 4.47Å
521A31.8Very low32.2Very low96 Ų96125.8 Ų125.879%0.79377%0.768SS**  trans-102.9143168.500000111.4
522V29.5Very low32.2Very low142 Ų142122.1 Ų122.186%0.86176%0.763SS**  trans-138.3137.5159.4-176.90000107.6V520V520-V522 HydrophobicContact CG1-CG2 4.47Å
523A29Very low32.3Very low98 Ų98124.7 Ų124.781%0.8177%0.77SS**  trans-139.5135179.900000111.2
524S32.5Very low32.4Very low104 Ų104126.6 Ų126.673%0.72777%0.77SS**  trans-166.1133.8161.154.10000108.7
525V32.3Very low32.4Very low126 Ų126126.4 Ų126.476%0.76477%0.774SS**  cis69119.746.9178.80000108.2
526I33.9Very low31.7Very low141 Ų141128.3 Ų128.372%0.72377%0.773SS**  cis-162.1179.310.540166.9000108.9
527D26.1Very low32.1Very low125 Ų125129.1 Ų129.167%0.66878%0.777SS**  cis-157.2-179.11.5-133-43.3000114
528E32.4Very low32Very low159 Ų159132.3 Ų132.374%0.74378%0.776SS**  trans71.7138.6141.5-85.1-163.7150.500126
529T33.2Very low32.4Very low126 Ų126131.5 Ų131.577%0.77377%0.772SS**  trans79.7104.3145.753.30000123.6
530V33.3Very low32.2Very low138 Ų138131.2 Ų131.284%0.83678%0.776SS**  trans-60.2143.6149.2168.30000109.7
531P42.6Very low32.2Very low124 Ų124131 Ų13181%0.80578%0.78SS**  -145.9177.163.939.7-19000118.2
532A31.5Very low32.1Very low93 Ų93133.1 Ų133.177%0.76978%0.783SS**  trans-114.1146.9-179.400000112.9
533T30Very low31.9Very low134 Ų134132.5 Ų132.582%0.82277%0.77SS**  trans-155.3111.7151.525.40000112
534I33.2Very low32.1Very low158 Ų158136.7 Ų136.781%0.8178%0.778SS**  trans28122.3132.8-52.4168.5000118.2
535L29.9Very low32Very low172 Ų172139.2 Ų139.290%0.90178%0.776SS**  trans-160.7123.9137-109.9166.9000111.4
536E33.1Very low31.8Very low144 Ų144137.3 Ų137.367%0.67377%0.769SS**  trans-106.5159.2158.1-120.7-149.298.200107
537P39Very low31.4Very low114 Ų114136.9 Ų136.974%0.7477%0.767SS**  cis-140.3171.743.339.3-19.8000117.9
538Q26Very low31.6Very low158 Ų158138 Ų13874%0.73877%0.769SS**  trans-5.9168.2147.7-75.8-16545.700121.9
539P41.6Very low31.3Very low99 Ų99135.5 Ų135.564%0.64376%0.76SS**  cis-140.6149.2-31.436-19.4000114
540L26.1Very low31.3Very low182 Ų182136.9 Ų136.995%0.95376%0.756SS**  trans-143.5135.6161.2-80.6-179.5000112.8
541S28.6Very low31.2Very low119 Ų119137.2 Ų137.283%0.83275%0.752SS**  trans-77.5137.6170.2-46.20000110.8
542V29.6Very low30.7Very low140 Ų140137 Ų13785%0.84875%0.748SS**  trans-157.6156.9150.6125.20000111.5
543E26.6Very low30.8Very low128 Ų128139 Ų13960%0.59875%0.746SS**  trans-44.1139.8-167.1-56.1173.587.500119.1K545E543-K545 PolarHBondContact O-N 3.15Å; E543-K545 WeakPolarHBondContact OE1-CE 3.38Å; E543-K545 IonicContact OE1-NZ 3.9Å; E543-K545 PolarHBondContact OE1-NZ 3.31Å
544L32.8Very low31.6Very low187 Ų187138.4 Ų138.498%0.97974%0.744SS**  trans-81.194.1156.7-102.4163.7000110.4
545K29.6Very low31.8Very low157 Ų157136 Ų13668%0.68373%0.733SS**  trans-145.1144.1167.8-81174.4-173.6160.10106.9E543E543-K545 PolarHBondContact O-N 3.15Å; E543-K545 WeakPolarHBondContact OE1-CE 3.38Å; E543-K545 IonicContact OE1-NZ 3.9Å; E543-K545 PolarHBondContact OE1-NZ 3.31Å
546S28.2Very low32.5Very low86 Ų86135.6 Ų135.660%0.60173%0.726SS**  cis-173168.34.547.80000110.2
547N26.5Very low33.1Very low131 Ų131134.1 Ų134.170%0.70173%0.727SS**  trans69.6151.5157.4-55.9-20.1000117
548H29.1Very low33.3Very low150 Ų150134.2 Ų134.269%0.69472%0.721SS**  cis-140.9141.9-13.8-96.3-52.2000105.6
549D27Very low34.2Very low105 Ų105133.8 Ų133.856%0.56172%0.719SS**  cis95.9133.643.4-177.333.1000113.3
550K34.1Very low34.5Very low156 Ų156134.1 Ų134.168%0.67872%0.719SS**  trans67.8144.1-173.4-62.5123.1-177.2155.60116
551N30.9Very low35.3Very low144 Ų144131.9 Ų131.977%0.7771%0.707SS**  cis-163.8166.21.7-11710.9000108.9
552V31.2Very low36.2Very low119 Ų119132.7 Ų132.772%0.72170%0.701SS**  cis-151.3-122.3-4.760.40000111.1
553L33.8Very low36.7Very low136 Ų136131.9 Ų131.971%0.71269%0.692SS**  trans-122-179.9-174.2-62.5163.3000111.2
554P46.2Very low37.5Very low121 Ų121133.8 Ų133.879%0.78670%0.701SS**  -128.3138.774.637.2-27.6000114.5
555D37.9Very low37.9Very low108 Ų108135.6 Ų135.658%0.57870%0.696SS**  trans-133.393.7165.8-174.97.5000108.3
556E45.6Very low38.4Very low163 Ų163133 Ų13376%0.76270%0.698SS**  trans-125.83.9-167.6-132.9169.1-165.700112.7
557V44.3Very low38.7Very low114 Ų114135.9 Ų135.969%0.69171%0.707SS**SBendtrans-105.7-23.7-176.6-177.40000112
558L44.3Very low39.3Very low115 Ų115139.8 Ų139.860%0.60272%0.717SS**SBendtrans-82.1-26.3-177.6-142.969.7000113.5
559Q45.3Very low39.4Very low150 Ų150137.6 Ų137.670%0.70173%0.726SS**THydrogen-bonded Turntrans-77-27.6-174.2-15467.527.400113.7
560T47.2Very low39.6Very low105 Ų105139.9 Ų139.964%0.64474%0.738SS**THydrogen-bonded Turntrans-81.7-14.1-176.633.70000114.6
561L42.8Very low39.5Very low136 Ų136139.1 Ų139.171%0.71275%0.746SS**THydrogen-bonded Turntrans-87.9-22.2-179.9-93.4160.9000114.2
562L47.3Very low39.4Very low135 Ų135140 Ų14071%0.70775%0.745SS**THydrogen-bonded Turntrans-87-30.2-178.7-84.6156.3000113.3H564L562-H564 VanDerWaalsContact C-N 3.28Å; L562-H564 PolarHBondContact O-N 3.39Å
563D40.4Very low40.7Very low123 Ų123138.5 Ų138.566%0.65874%0.738SS**G310 helixtrans-74.5-18.7-174.3-134.218.8000113.3Y565D563-Y565 VanDerWaalsContact C-N 3.28Å; D563-Y565 PolarHBondContact O-N 3.45Å
564H43.8Very low40.4Very low169 Ų169138.5 Ų138.578%0.78274%0.739SS**G310 helixtrans-80.3-0.7-172.7-143.7-56.4000114.9L562L562-H564 VanDerWaalsContact C-N 3.28Å; L562-H564 PolarHBondContact O-N 3.39Å
565Y40.8Very low39.7Very low224 Ų224139.7 Ų139.788%0.87874%0.737SS**G310 helixtrans-119-5.6-174.5-102.7-78000116.3D563D563-Y565 VanDerWaalsContact C-N 3.28Å; D563-Y565 PolarHBondContact O-N 3.45Å
566S40.8Very low39.2Very low103 Ų103139 Ų13972%0.7274%0.74SS**SBendtrans-106.4-5.1-169.8-145.80000116.2
567N33.7Very low38.3Very low146 Ų146140.9 Ų140.978%0.78175%0.746SS**  trans-106.881.8-170.9-92.7-54.6000114.6
568K38.8Very low37.6Very low213 Ų213140.7 Ų140.793%0.92675%0.75SS**  trans-154.341.8160.5-136172.8-171.6176.20117.1
569A31.6Very low36.9Very low105 Ų105141.7 Ų141.787%0.86876%0.761SS**  trans-139.8103.2164.900000110.2
570N31.4Very low36.2Very low153 Ų153138.7 Ų138.782%0.81876%0.761SS**  trans-119112.5175.3175.918.9000109.3
571V31.2Very low35.4Very low139 Ų139140.2 Ų140.284%0.84277%0.766SS**  trans-165.9132.5146.3143.60000107.3
572Q29.3Very low35Very low163 Ų163139.5 Ų139.576%0.76277%0.767SS**  trans-116.6172.4170.3-85.2-94.2200107.6
573P57.4Low34.4Very low88 Ų88141 Ų14157%0.57177%0.771SS**  cis-128.8-175.4-4.926.1-1.9000113.3
574D27.7Very low33.9Very low136 Ų136140.2 Ų140.273%0.72777%0.77SS**  156.8145.3109-94.7-36.1000117.3
575I31.3Very low33.4Very low146 Ų146138.5 Ų138.575%0.74977%0.772SS**  trans71.482.5159.6-55.4152.2000119.7
576S27.7Very low32.9Very low92 Ų92133.1 Ų133.164%0.64377%0.767SS**  43.9140.6111.9-44.90000125.5
577F26.4Very low32.5Very low203 Ų203133.1 Ų133.189%0.8977%0.767SS**  trans72.7148.7157.2-65.5-62.3000118.5
578S30.4Very low32.2Very low110 Ų110133.5 Ų133.577%0.76977%0.767SS**  cis-155.4172.4-3.342.60000111.9
579V30.1Very low31.7Very low137 Ų137128.5 Ų128.583%0.8376%0.759SS**  trans-99.2136.1179.7174.30000112.2
580A31Very low31.6Very low86 Ų86131.2 Ų131.271%0.71176%0.757SS**  trans-171.7111.6152.300000106.3
581D29.9Very low31.4Very low137 Ų137131.5 Ų131.573%0.73376%0.759SS**  89.6157.173.4-81.3-39000113.3
582T34.6Very low31.5Very low122 Ų122129.9 Ų129.975%0.74875%0.754SS**  trans74.3142.3176.874.40000117.1
583E33.7Very low31.7Very low166 Ų166127.6 Ų127.678%0.77676%0.756SS**  cis-167.5170.9-24.1-121.1173.4-126.400111.8
584V31Very low30.3Very low106 Ų106130.5 Ų130.564%0.64277%0.766SS**  trans60.2105.7141.5169.60000121.4
585T32Very low30.6Very low133 Ų133131.1 Ų131.182%0.81678%0.775SS**  trans66140.9141.862.90000123.1
586S31.4Very low30.6Very low111 Ų111129.1 Ų129.178%0.77677%0.774SS**  trans-93137.2163.539.80000112.6
587S31.2Very low30.7Very low104 Ų104134.1 Ų134.173%0.72779%0.787SS**  trans-165.4113.2157.6-82.20000107.9
588I27Very low30.9Very low154 Ų154128.2 Ų128.279%0.7978%0.783SS**  90.314573.5-75.6164.6000112.3
589S28.5Very low31Very low108 Ų108128.2 Ų128.276%0.75578%0.783SS**  trans63.7105.3170.452.50000118.9
590I31.2Very low31.8Very low161 Ų161127 Ų12783%0.82678%0.778SS**  trans-74.9139142.1-58.6164.8000107.2
591N26.9Very low31.9Very low159 Ų159128 Ų12885%0.8578%0.775SS**  trans-150.1153.3147.5-147.92.9000111.2
592S33.7Very low32Very low105 Ų105129.7 Ų129.773%0.73478%0.779SS**  trans-100.5149.1-162.5-49.60000114.1
593S31.7Very low31.9Very low115 Ų115128 Ų12880%0.80477%0.772SS**  trans-162.1149.3150.458.20000112.4
594D29.7Very low31.8Very low149 Ų149128.5 Ų128.580%0.79778%0.779SS**  trans-62158.1-179.9-47.5-105.5000115.1
595V33.1Very low31.7Very low150 Ų150127.5 Ų127.591%0.90979%0.79SS**  -164.6163112-93.20000111.6
596S31.7Very low31.6Very low103 Ų103124.9 Ų124.972%0.7279%0.79SS**  trans-103.2174-167.3-50.40000115.3
597E29.8Very low31.8Very low198 Ų198127.3 Ų127.393%0.92579%0.794SS**  trans74.2149.8154.4-72.4173.3-151.100119.8
598G30.5Very low32Very low78 Ų78128.4 Ų128.480%0.80480%0.802SS**  trans131.855.9171.900000117.4
599S32.8Very low32.5Very low110 Ų110130.3 Ų130.377%0.76981%0.808SS**  trans-84.3142.6160.5-176.80000109.6
600P45.9Very low33Very low112 Ų112129.3 Ų129.373%0.72781%0.806SS**  -146.913411235.1-18.3000116.8
601V32.5Very low33.7Very low108 Ų108126.9 Ų126.966%0.65580%0.8SS**  63.5105.7123.1-177.40000119.4
602E33Very low34.8Very low172 Ų172123.7 Ų123.780%0.80479%0.791SS**  trans68.5150141-67-163.284.200121.1
603S31.8Very low35.7Very low87 Ų87122 Ų12261%0.60878%0.783SS**  cis-161.9173.1-8.9-111.10000111.7
604L31.5Very low36.7Very low175 Ų175123.8 Ų123.892%0.91678%0.779SS**  trans77.2103.5167.1-59.8171.4000120.4
605G29.6Very low37.9Very low85 Ų85124.6 Ų124.688%0.87678%0.775SS**  118.6119121.800000120
606G30.5Very low39Very low79 Ų79121 Ų12181%0.81476%0.757SS**  trans111.68815100000117.5
607N34.4Very low40.9Very low161 Ų161119.6 Ų119.686%0.86175%0.747SS**  trans-52.2136.8-179.6-64.40.3000115.7
608S36.9Very low43Very low128 Ų128116 Ų11690%0.89573%0.733SS**  trans-151.9125.7142-79.90000108.9
609Q37.3Very low44.9Very low194 Ų194118 Ų11891%0.90773%0.725SS**  trans-107.5131.7-163.5-173.8171.9-1200112.1
610A39Very low47.1Very low87 Ų87119 Ų11972%0.71972%0.717SS**  trans-101.7141.8-176.800000112.8
611P44.8Very low48.9Very low109 Ų109119.9 Ų119.971%0.70871%0.712SS**  trans-113.995.7170.435.9-25.2000112.5
612S50.8Low51Low93 Ų93121.5 Ų121.565%0.6571%0.707SS**  trans-125.7-26.1170.5600000114.1E614S612-E614 PolarHBondContact O-N 3.48Å
613A51.8Low53.4Low70 Ų70116.2 Ų116.258%0.57969%0.689SS**Hα-helixtrans-69.9-29.9-175.600000114.7K615 S616 S617A613-K615 VanDerWaalsContact C-N 3.33Å; A613-K615 PolarHBondContact O-N 2.75Å; A613-S616 PolarHBondContact O-N 3.41Å; A613-S616 PolarHBondContact O-OG 2.99Å; A613-S617 WeakPolarHBondContact O-CB 3.23Å; A613-S617 PolarHBondContact O-N 3.04Å
614E53.1Low56Low152 Ų152118.8 Ų118.871%0.7169%0.689SS**Hα-helixtrans-65.2-36.2-177.6-65.1178.1150.900112.2S612 S617 L618S612-E614 PolarHBondContact O-N 3.48Å; E614-S617 PolarHBondContact O-N 2.75Å; E614-L618 VanDerWaalsContact O-CB 3.26Å; E614-L618 WeakPolarHBondContact O-CB 3.42Å; E614-L618 PolarHBondContact O-N 3.43Å
615K54.2Low58.8Low165 Ų165116.9 Ų116.972%0.71767%0.674SS**Hα-helixtrans-70.3-37.4-178.8-70.1-179.8-180173.90112.6A613 L619A613-K615 VanDerWaalsContact C-N 3.33Å; A613-K615 PolarHBondContact O-N 2.75Å; K615-L619 WeakPolarHBondContact O-CB 3.44Å; K615-L619 VanDerWaalsContact O-CG 3.31Å; K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.13Å; K615-L619 VanDerWaalsContact O-N 3.11Å
616S57.8Low61.4Low76 Ų76116.7 Ų116.753%0.53165%0.652SS.*Hα-helixtrans-72.2-38.5173.647.80000111.6A613 L619 H620A613-S616 PolarHBondContact O-N 3.41Å; A613-S616 PolarHBondContact O-OG 2.99Å; S616-L619 PolarHBondContact O-N 3.47Å; S616-H620 WeakPolarHBondContact O-CB 3.5Å; S616-H620 PolarHBondContact O-N 3.1Å
617S70.4Confident63.8Low73 Ų73119.1 Ų119.151%0.5164%0.642SS.*Hα-helixtrans-60.1-48.2173.2-165.30000111.8A613 E614 L619 H620 E621A613-S617 WeakPolarHBondContact O-CB 3.23Å; A613-S617 PolarHBondContact O-N 3.04Å; E614-S617 PolarHBondContact O-N 2.75Å; S617-L619 PolarHBondContact O-N 3.21Å; S617-H620 PolarHBondContact O-N 3.27Å; S617-E621 WeakPolarHBondContact O-CB 3.46Å; S617-E621 PolarHBondContact O-N 2.82Å
618L74.3Confident66.2Low121 Ų121116.3 Ų116.363%0.63462%0.624SS**Hα-helixtrans-69.8-31.8-177.7-166144.2000112.6E614 Y622E614-L618 VanDerWaalsContact O-CB 3.26Å; E614-L618 WeakPolarHBondContact O-CB 3.42Å; E614-L618 PolarHBondContact O-N 3.43Å; L618-Y622 VanDerWaalsContact O-CB 3.25Å; L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.14Å
619L70.9Confident68.1Low120 Ų120112.4 Ų112.463%0.62860%0.599SS**Hα-helixtrans-68.5-40.1169.5-77.9169.5000112.5K615 S616 S617 Y622 S623K615-L619 WeakPolarHBondContact O-CB 3.44Å; K615-L619 VanDerWaalsContact O-CG 3.31Å; K615-L619 WeakPolarHBondContact O-CG 3.4Å; K615-L619 PolarHBondContact O-N 3.13Å; K615-L619 VanDerWaalsContact O-N 3.11Å; S616-L619 PolarHBondContact O-N 3.47Å; S617-L619 PolarHBondContact O-N 3.21Å; L619-Y622 PolarHBondContact O-N 3.36Å; L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.4Å
620H79.4Confident70.1Confident133 Ų133108.7 Ų108.762%0.61659%0.585SS**Hα-helixtrans-66.4-40.8176-17657.6000111.6S616 S617 S623 K624S616-H620 WeakPolarHBondContact O-CB 3.5Å; S616-H620 PolarHBondContact O-N 3.1Å; S617-H620 PolarHBondContact O-N 3.27Å; H620-S623 WeakPolarHBondContact O-CB 3.42Å; H620-S623 PolarHBondContact O-N 2.88Å; H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 2.94Å
621E82.8Confident71.9Confident130 Ų130109.8 Ų109.861%0.60758%0.575SS**Hα-helixtrans-67.3-39.9175.3-172.7158-139.900112.3S617 K624 F625S617-E621 WeakPolarHBondContact O-CB 3.46Å; S617-E621 PolarHBondContact O-N 2.82Å; E621-K624 PolarHBondContact O-N 3.46Å; E621-F625 WeakPolarHBondContact O-CB 3.44Å; E621-F625 PolarHBondContact O-N 3.47Å
622Y76.4Confident73.2Confident142 Ų142111.4 Ų111.456%0.55757%0.567SS**Hα-helixtrans-63-40.8172.2-175.6-109.4000112.4L618 L619 F625 L626L618-Y622 VanDerWaalsContact O-CB 3.25Å; L618-Y622 WeakPolarHBondContact O-CB 3.47Å; L618-Y622 PolarHBondContact O-N 3.14Å; L619-Y622 PolarHBondContact O-N 3.36Å; Y622-F625 PolarHBondContact O-N 2.95Å; Y622-L626 HydrophobicContact CD1-CD1 3.92Å; Y622-L626 HydrophobicContact CE1-CD1 3.51Å; Y622-L626 HydrophobicContact CE1-CG 4.3Å; Y622-L626 PolarHBondContact O-N 3Å
623S83.6Confident73.9Confident61 Ų61110.7 Ų110.743%0.42756%0.559SS.*Hα-helixtrans-61.3-45.9173-178.10000111.5L619 H620 F625 L626 Q627L619-S623 WeakPolarHBondContact O-CB 3.33Å; L619-S623 PolarHBondContact O-N 3.4Å; H620-S623 WeakPolarHBondContact O-CB 3.42Å; H620-S623 PolarHBondContact O-N 2.88Å; S623-F625 VanDerWaalsContact C-N 3.34Å; S623-F625 PolarHBondContact O-N 3.26Å; S623-L626 PolarHBondContact O-N 3.39Å; S623-Q627 WeakPolarHBondContact O-CB 3.47Å; S623-Q627 PolarHBondContact O-N 2.97Å
624K85.4Confident74.8Confident140 Ų140110.4 Ų110.461%0.60955%0.553SS**Hα-helixtrans-62.8-37.7176.5-168.9175.6-176.3177.40112.5H620 E621 Q627 Q628H620-K624 WeakPolarHBondContact O-CB 3.47Å; H620-K624 PolarHBondContact O-N 2.94Å; E621-K624 PolarHBondContact O-N 3.46Å; K624-Q627 PolarHBondContact O-N 3.19Å; K624-Q628 WeakPolarHBondContact O-CB 3.23Å; K624-Q628 PolarHBondContact O-N 3.05Å
625F90.7Very high75Confident136 Ų136108 Ų10860%0.59654%0.542SS*.Hα-helixtrans-66.1-44.6174.5-176.5-91.5000112.1E621 Y622 S623 Q627 Q628 A629E621-F625 WeakPolarHBondContact O-CB 3.44Å; E621-F625 PolarHBondContact O-N 3.47Å; Y622-F625 PolarHBondContact O-N 2.95Å; S623-F625 VanDerWaalsContact C-N 3.34Å; S623-F625 PolarHBondContact O-N 3.26Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 2.91Å; F625-Q628 PolarHBondContact O-N 3.05Å; F625-A629 WeakPolarHBondContact O-CB 3.42Å; F625-A629 PolarHBondContact O-N 2.94Å
626L84.9Confident75Confident80 Ų80105.1 Ų105.142%0.41953%0.534SS..Hα-helixtrans-59.8-43.2173.8-79.2168.7000111.7Y622 S623 A629 L630Y622-L626 HydrophobicContact CD1-CD1 3.92Å; Y622-L626 HydrophobicContact CE1-CD1 3.51Å; Y622-L626 HydrophobicContact CE1-CG 4.3Å; Y622-L626 PolarHBondContact O-N 3Å; S623-L626 PolarHBondContact O-N 3.39Å; L626-A629 WeakPolarHBondContact O-CB 3.31Å; L626-A629 PolarHBondContact O-N 3.23Å; L626-L630 WeakPolarHBondContact O-CG 3.48Å; L626-L630 PolarHBondContact O-N 3.02Å
627Q81.3Confident74.8Confident130 Ų130106.4 Ų106.461%0.60754%0.535SS*.Hα-helixtrans-65.8-42.5179-144.5155.720.600111.3S623 K624 F625 A629 L630 E631S623-Q627 WeakPolarHBondContact O-CB 3.47Å; S623-Q627 PolarHBondContact O-N 2.97Å; K624-Q627 PolarHBondContact O-N 3.19Å; F625-Q627 VanDerWaalsContact C-N 3.33Å; F625-Q627 PolarHBondContact O-N 2.91Å; Q627-A629 VanDerWaalsContact C-N 3.3Å; Q627-A629 PolarHBondContact O-N 3.27Å; Q627-L630 PolarHBondContact O-N 2.8Å; Q627-E631 WeakPolarHBondContact O-CB 3.42Å; Q627-E631 PolarHBondContact O-N 2.77Å
628Q83.4Confident73.8Confident103 Ų103106.5 Ų106.548%0.48154%0.536SS..Hα-helixtrans-68.4-24.9174.3-162.9179.941.500113.6K624 F625 R632K624-Q628 WeakPolarHBondContact O-CB 3.23Å; K624-Q628 PolarHBondContact O-N 3.05Å; F625-Q628 PolarHBondContact O-N 3.05Å; Q628-R632 PolarHBondContact O-N 3.43Å
629A76.9Confident72.4Confident45 Ų45108.5 Ų108.537%0.37254%0.536SS..Hα-helixtrans-72.2-43.3171.200000111.4F625 L626 Q627 R632 T633F625-A629 WeakPolarHBondContact O-CB 3.42Å; F625-A629 PolarHBondContact O-N 2.94Å; L626-A629 WeakPolarHBondContact O-CB 3.31Å; L626-A629 PolarHBondContact O-N 3.23Å; Q627-A629 VanDerWaalsContact C-N 3.3Å; Q627-A629 PolarHBondContact O-N 3.27Å; A629-R632 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-OG1 2.85Å
630L79.9Confident71.4Confident116 Ų116108.2 Ų108.261%0.60754%0.535SS*.Hα-helixtrans-63.7-42.9176.2-72.1167.1000112.2L626 Q627 R632 T633 S634L626-L630 WeakPolarHBondContact O-CG 3.48Å; L626-L630 PolarHBondContact O-N 3.02Å; Q627-L630 PolarHBondContact O-N 2.8Å; L630-R632 VanDerWaalsContact C-N 3.26Å; L630-R632 PolarHBondContact O-N 3.47Å; L630-T633 WeakPolarHBondContact CA-OG1 3.48Å; L630-T633 PolarHBondContact O-N 2.92Å; L630-T633 PolarHBondContact O-OG1 3.29Å; L630-S634 PolarHBondContact O-N 2.9Å
631E77.5Confident69.7Low110 Ų110105.5 Ų105.551%0.51453%0.531SS..Hα-helixtrans-54.6-40.9171.4-167.289.2-124.800111.8Q627 S634 Q635Q627-E631 WeakPolarHBondContact O-CB 3.42Å; Q627-E631 PolarHBondContact O-N 2.77Å; E631-S634 PolarHBondContact O-OG 3.04Å; E631-Q635 WeakPolarHBondContact O-CB 3.41Å; E631-Q635 VanDerWaalsContact O-CG 3.23Å; E631-Q635 WeakPolarHBondContact O-CG 3.25Å; E631-Q635 PolarHBondContact O-N 3.38Å; E631-Q635 VanDerWaalsContact O-N 3.15Å
632R70.6Confident67.8Low143 Ų143102.8 Ų102.854%0.5453%0.526SS..Hα-helixtrans-76.2-23.4176.8-78.4-167.6170.9102.42.1113.8Q628 A629 L630 N636Q628-R632 PolarHBondContact O-N 3.43Å; A629-R632 PolarHBondContact O-N 3.36Å; L630-R632 VanDerWaalsContact C-N 3.26Å; L630-R632 PolarHBondContact O-N 3.47Å; R632-N636 PolarHBondContact O-N 3.28Å; R632-N636 PolarHBondContact O-ND2 2.94Å
633T67Low66.5Low78 Ų78103.3 Ų103.348%0.47953%0.534SS..Hα-helixtrans-72.4-47.3169.540.90000111.7A629 L630 Q635 N636 D637A629-T633 PolarHBondContact O-N 3.36Å; A629-T633 PolarHBondContact O-OG1 2.85Å; L630-T633 WeakPolarHBondContact CA-OG1 3.48Å; L630-T633 PolarHBondContact O-N 2.92Å; L630-T633 PolarHBondContact O-OG1 3.29Å; T633-Q635 VanDerWaalsContact C-N 3.3Å; T633-Q635 PolarHBondContact O-N 3.03Å; T633-N636 PolarHBondContact O-N 2.93Å; T633-D637 PolarHBondContact O-N 3.36Å; T633-D637 VanDerWaalsContact O-N 3.1Å
634S69.4Low64.5Low64 Ų64105 Ų10545%0.44855%0.545SS..Hα-helixtrans-62.5-36.1179.461.50000112.8L630 E631 N636 D637 S638L630-S634 PolarHBondContact O-N 2.9Å; E631-S634 PolarHBondContact O-OG 3.04Å; S634-N636 VanDerWaalsContact C-N 3.33Å; S634-N636 PolarHBondContact O-N 2.91Å; S634-D637 PolarHBondContact O-N 2.98Å; S634-S638 PolarHBondContact O-N 2.86Å
635Q57.8Low62.4Low102 Ų102105.4 Ų105.448%0.47755%0.553SS.*Hα-helixtrans-64.7-32.9173.3-72.3172.811.700113E631 T633 Y639E631-Q635 WeakPolarHBondContact O-CB 3.41Å; E631-Q635 VanDerWaalsContact O-CG 3.23Å; E631-Q635 WeakPolarHBondContact O-CG 3.25Å; E631-Q635 PolarHBondContact O-N 3.38Å; E631-Q635 VanDerWaalsContact O-N 3.15Å; T633-Q635 VanDerWaalsContact C-N 3.3Å; T633-Q635 PolarHBondContact O-N 3.03Å; Q635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Q635-Y639 PolarHBondContact O-N 3.41Å
636N53.9Low59.8Low104 Ų104104.3 Ų104.356%0.55656%0.558SS**Hα-helixtrans-73.3-39.1175.2-83-71.6000112.2R632 T633 S634 S638 Y639 L640R632-N636 PolarHBondContact O-N 3.28Å; R632-N636 PolarHBondContact O-ND2 2.94Å; T633-N636 PolarHBondContact O-N 2.93Å; S634-N636 VanDerWaalsContact C-N 3.33Å; S634-N636 PolarHBondContact O-N 2.91Å; N636-S638 VanDerWaalsContact C-N 3.29Å; N636-S638 PolarHBondContact O-N 3.19Å; N636-Y639 WeakPolarHBondContact O-CB 3.39Å; N636-Y639 PolarHBondContact O-N 3.48Å; N636-Y639 VanDerWaalsContact O-N 3.13Å; N636-L640 PolarHBondContact O-N 2.87Å; N636-L640 VanDerWaalsContact O-N 3.13Å
637D53.9Low57.2Low103 Ų103110.5 Ų110.555%0.55158%0.582SS**Hα-helixtrans-64.7-35.8175.2-67.2-40000111.6T633 S634 Y639 L640 S641T633-D637 PolarHBondContact O-N 3.36Å; T633-D637 VanDerWaalsContact O-N 3.1Å; S634-D637 PolarHBondContact O-N 2.98Å; D637-Y639 VanDerWaalsContact C-N 3.35Å; D637-Y639 PolarHBondContact O-N 2.97Å; D637-L640 PolarHBondContact O-N 3.46Å; D637-S641 WeakPolarHBondContact O-CB 3.26Å; D637-S641 PolarHBondContact O-N 3.43Å
638S49.2Very low54.8Low75 Ų75110.7 Ų110.752%0.52459%0.591SS.*Hα-helixtrans-61.7-38.3170.9-171.20000112.9S634 N636 L640 S641 S642S634-S638 PolarHBondContact O-N 2.86Å; N636-S638 VanDerWaalsContact C-N 3.29Å; N636-S638 PolarHBondContact O-N 3.19Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 3.11Å; S638-S641 PolarHBondContact O-N 3.37Å; S638-S642 WeakPolarHBondContact O-CB 3.41Å; S638-S642 PolarHBondContact O-N 3.49Å; S638-S642 PolarHBondContact O-OG 3.47Å
639Y45.7Very low52.2Low163 Ų163112.1 Ų112.164%0.63961%0.608SS**Hα-helixtrans-68.3-28.4174.8-101.7-81.3000113.9Q635 N636 D637 S642Q635-Y639 WeakPolarHBondContact O-CD2 3.43Å; Q635-Y639 PolarHBondContact O-N 3.41Å; N636-Y639 WeakPolarHBondContact O-CB 3.39Å; N636-Y639 PolarHBondContact O-N 3.48Å; N636-Y639 VanDerWaalsContact O-N 3.13Å; D637-Y639 VanDerWaalsContact C-N 3.35Å; D637-Y639 PolarHBondContact O-N 2.97Å; Y639-S642 PolarHBondContact O-OG 3.39Å
640L49.8Very low49.9Very low115 Ų115118.8 Ų118.860%0.60263%0.631SS**Hα-helixtrans-80.4-38.3174.4-67.8172.5000112.1N636 D637 S638 S644N636-L640 PolarHBondContact O-N 2.87Å; N636-L640 VanDerWaalsContact O-N 3.13Å; D637-L640 PolarHBondContact O-N 3.46Å; S638-L640 VanDerWaalsContact C-N 3.35Å; S638-L640 PolarHBondContact O-N 3.11Å; L640-S644 PolarHBondContact O-OG 2.88Å
641S43.8Very low47.6Very low76 Ų76117.8 Ų117.853%0.53163%0.634SS.*Hα-helixtrans-64.8-44.7175.8-169.60000111.9D637 S638 Q643 S644D637-S641 WeakPolarHBondContact O-CB 3.26Å; D637-S641 PolarHBondContact O-N 3.43Å; S638-S641 PolarHBondContact O-N 3.37Å; S641-Q643 PolarHBondContact O-N 2.82Å; S641-S644 WeakPolarHBondContact O-CB 3.41Å; S641-S644 PolarHBondContact O-N 2.95Å
642S43.7Very low46Very low73 Ų73116.9 Ų116.951%0.5164%0.637SS.*Hα-helixtrans-68.3-29.9-17950.70000114.4S638 Y639 S644S638-S642 WeakPolarHBondContact O-CB 3.41Å; S638-S642 PolarHBondContact O-N 3.49Å; S638-S642 PolarHBondContact O-OG 3.47Å; Y639-S642 PolarHBondContact O-OG 3.39Å; S642-S644 PolarHBondContact O-N 2.99Å
643Q47.3Very low44Very low153 Ų153112.9 Ų112.972%0.71563%0.631SS**THydrogen-bonded Turntrans-73-10.3170.7-74.7-173.115.900113.8S641S641-Q643 PolarHBondContact O-N 2.82Å
644S41.6Very low42.3Very low95 Ų95115.2 Ų115.266%0.66464%0.64SS**THydrogen-bonded Turntrans-94.6-3.6-175.3-58.50000114.3L640 S641 S642L640-S644 PolarHBondContact O-OG 2.88Å; S641-S644 WeakPolarHBondContact O-CB 3.41Å; S641-S644 PolarHBondContact O-N 2.95Å; S642-S644 PolarHBondContact O-N 2.99Å
645L41.9Very low40.3Very low149 Ų149115.7 Ų115.778%0.7864%0.643SS**SBendtrans-130.240.8-172-74.7176.2000114.8
646T35.6Very low38.9Very low113 Ų113118.3 Ų118.369%0.69366%0.661SS**  trans-140.683165.732.20000112.2
647F31.3Very low37.7Very low210 Ų210121.8 Ų121.892%0.92167%0.673SS**SBendtrans-172135.6143.5-101.7-59.1000113
648V30.7Very low37.6Very low134 Ų134121.3 Ų121.381%0.81268%0.676SS**  trans74.673.3167.7-159.70000118.9
649T28Very low36.7Very low134 Ų134123.9 Ų123.982%0.82268%0.683SS**  trans-139.6143.2133.756.50000105.2
650E28.5Very low36Very low185 Ų185124.9 Ų124.986%0.86469%0.691SS**  cis-140.8-162.412.9-61174.5110.100111.7
651S31.5Very low35.1Very low95 Ų95122.2 Ų122.266%0.66468%0.682SS**  trans-145.2175.3171.456.50000107.8
652P45.3Very low34.5Very low90 Ų90121 Ų12158%0.58467%0.672SS**  cis-143.2-175.712.739.3-17.3000117.4E788 T789P652-E788 WeakPolarHBondContact CB-O 3.46Å; P652-T789 CarbonylContact C-O 3.6Å
653S28.7Very low33.8Very low59 Ų59123.2 Ų123.241%0.41367%0.674SS.*  trans94145.4135.977.70000125.4E788 T789S653-E788 WeakPolarHBondContact CA-O 3.13Å; S653-E788 PolarHBondContact N-O 2.62Å; S653-T789 PolarHBondContact N-O 3.03Å; S653-T789 VanDerWaalsContact N-O 3.09Å
654L30.9Very low33.2Very low128 Ų128123.4 Ų123.467%0.6767%0.672SS**  trans93.294.1152.6-58.2-170.5000122.7E788L654-E788 WeakPolarHBondContact CA-OE2 3.3Å; L654-E788 PolarHBondContact N-OE2 2.97Å
655S28.2Very low32.5Very low74 Ų74128.1 Ų128.152%0.51768%0.684SS.*  98150.4113.478.80000123.5E788S655-E788 PolarHBondContact N-OE2 3.35Å
656N28Very low31.9Very low157 Ų157130.9 Ų130.984%0.8469%0.686SS**  trans90.8132.3157.5-65.5-59.2000122
657Q29.2Very low32.3Very low176 Ų176131.5 Ų131.582%0.82269%0.691SS**  trans-112.7-165.7177.8-85.1-94.810.800108.5
658P51.4Low32.4Very low93 Ų93126 Ų12660%0.60468%0.679SS**  cis-130.6-170.7-1719.65.6000114.7
659L30.4Very low33.1Very low129 Ų129125.9 Ų125.968%0.67568%0.681SS**  148.4116.8116.8-73169000116.4
660F29.6Very low33.2Very low185 Ų185124.5 Ų124.581%0.81168%0.677SS**  trans55.4160.7140.6-64.9-42.4000122.2
661S31.1Very low33.3Very low58 Ų58125.9 Ų125.941%0.40667%0.674SS.*  cis-177.2174.3-10.8-96.80000109.7
662T32Very low33.1Very low52 Ų52129.5 Ų129.532%0.31968%0.678SS.*  cis-118.8-123.7-41.548.10000108.3L448 L449L448-T662 VanDerWaalsContact CB-O 3.25Å; L448-T662 WeakPolarHBondContact CB-O 3.36Å; L449-T662 HydrophobicContact CD1-CG2 3.78Å
663E29.3Very low32.3Very low118 Ų118130.8 Ų130.855%0.55169%0.685SS**  cis-150.8-126.98.1-170.735.2-14900112.4
664K34.3Very low32.3Very low157 Ų157133.3 Ų133.368%0.68371%0.709SS**  trans-150.8148.7-161.8-59.9178.2-169.484.60114.7
665Q27.8Very low32.1Very low194 Ų194130 Ų13091%0.90771%0.706SS**  -177.2156.6110.1-101.2-177.8-8.700114.6
666Y28.5Very low32.5Very low208 Ų208134 Ų13482%0.81673%0.728SS**  trans-127.8155.7-178.8-104.1-75.2000108.9
667P44.7Very low32.5Very low126 Ų126129.9 Ų129.982%0.81872%0.722SS**  -150.3161.593.438.5-20.9000117
668S31.9Very low32.7Very low95 Ų95131.4 Ų131.466%0.66473%0.725SS**  trans-91.1171.1167.6-48.50000111.6
669P47.1Very low31.6Very low131 Ų131133 Ų13385%0.85174%0.739SS**  -148.4175.698.239.1-22.7000115.9
670S29.4Very low31.4Very low105 Ų105129.8 Ų129.873%0.73474%0.737SS**  trans-109.3168.5178.658.50000112.9
671R30.5Very low31.5Very low213 Ų213129 Ų12980%0.80474%0.738SS**  trans168.7148.3137.6-95.5160.7-171.3-168.54.1116.1
672F27.1Very low31.4Very low171 Ų171133.2 Ų133.275%0.7576%0.756SS**  trans53.4161143.8-62.9-44.7000121.9
673T27.9Very low31.4Very low118 Ų118136.2 Ų136.272%0.72478%0.779SS**  -178.9152.9-57.329.30000109.1
674A28.9Very low32.1Very low111 Ų111135.9 Ų135.992%0.91779%0.787SS**  trans69.2153169.200000117
675G28.1Very low31.9Very low59 Ų59135.9 Ų135.961%0.60879%0.794SS**  cis-174-168.5-1.700000113.7
676T35.3Very low31.9Very low159 Ų159137.5 Ų137.598%0.97579%0.791SS**  trans71.1145-171.576.70000115.4
677G28.7Very low31.9Very low69 Ų69132 Ų13271%0.71178%0.784SS**  cis-179.187.4-7.700000117.2
678K33Very low31.2Very low208 Ų208132.1 Ų132.190%0.90478%0.782SS**  trans47.2133.7145.9-63.6-176.6175.2-177.20123.5
679S28.8Very low31.1Very low128 Ų128134.9 Ų134.990%0.89579%0.788SS**  trans71149.8145.6-155.50000118.8
680G26.6Very low30.2Very low61 Ų61137 Ų13763%0.62979%0.787SS**  cis156.8143.8-1500000115.2
681M31.7Very low30.4Very low168 Ų168140.2 Ų140.283%0.82879%0.788SS**  trans70.1145.1160.8-58.9-171.173.300122.3
682N28.4Very low31.2Very low147 Ų147135.8 Ų135.879%0.78679%0.787SS**  trans80.4132.6153.1-58.8-20.2000122.2
683S31.9Very low31.3Very low115 Ų115135 Ų13580%0.80479%0.785SS**  trans-76.3166.8165.5-37.20000111.7
684P43.8Very low31.3Very low110 Ų110139.5 Ų139.571%0.71480%0.795SS**  -162.6157.394.540.2-20.2000119.6
685L29.9Very low31.3Very low158 Ų158137.3 Ų137.383%0.82778%0.784SS**  trans60172.7145.4-61.6168.3000118.5
686R28.1Very low31.4Very low227 Ų227142.6 Ų142.686%0.85780%0.797SS**  cis-149.4168.4-0.1-144.5176.8-171.1-1773.5112.9
687S28Very low31.3Very low94 Ų94142.7 Ų142.766%0.65779%0.79SS**  trans-83.2164.9178.456.20000117.7
688T30.3Very low31.3Very low127 Ų127145.6 Ų145.678%0.77979%0.794SS**  trans-169.4128.8136.820.40000111.2
689L30.3Very low31Very low153 Ų153139.1 Ų139.180%0.80179%0.787SS**  72.8144.4103.8-111.170.3000115.3
690E27.4Very low31Very low177 Ų177140.3 Ų140.383%0.82778%0.783SS**  cis-141.3-178.716.1-87-166.1109.500114.7
691K33.2Very low31.2Very low171 Ų171142.2 Ų142.274%0.74379%0.787SS**  trans-118.8158.4164.7-71.3-178.7175.5178.80110.4
692P48.2Very low31.3Very low120 Ų120142.5 Ų142.578%0.77979%0.786SS**  -136158.210136.4-25.5000112.7
693H29.8Very low31.4Very low155 Ų155143.2 Ų143.272%0.71878%0.784SS**  cis92.8150.234.2-104.2-83.1000116.8
694F27.9Very low31.3Very low212 Ų212142.5 Ų142.593%0.9378%0.78SS**  trans84138.9-169.9-61.1-79.2000116.8
695G28.6Very low30.5Very low66 Ų66147.3 Ų147.368%0.6879%0.789SS**  cis164.1114.6-16.700000118.3
696L29.9Very low30.4Very low170 Ų170144.9 Ų144.989%0.8979%0.786SS**  trans67.9171.1149.6-72.4169.3000122
697L32.1Very low30.3Very low160 Ų160143.9 Ų143.984%0.83879%0.788SS**  trans75.4124-178.9-60.7161.8000114.6
698V29.6Very low30.5Very low130 Ų130144.3 Ų144.379%0.78879%0.791SS**  cis73.6119.719.2-166.30000115.1
699G27.1Very low30.5Very low73 Ų73141.3 Ų141.375%0.75379%0.786SS**  trans167.5116.6172.300000113.8
700D28.5Very low30.5Very low152 Ų152141 Ų14181%0.81379%0.785SS**  trans-94.4-169178.1-62.4-81.3000113.2
701S30.3Very low31.1Very low102 Ų102140.9 Ų140.971%0.71378%0.784SS**  trans86.4124.1168.2-55.50000115.9
702Q34.4Very low31.4Very low173 Ų173138.1 Ų138.181%0.80878%0.782SS**  88.7163.752.1-74.1-170.13400113.7
703H30.9Very low30.8Very low162 Ų162137.8 Ų137.875%0.7578%0.778SS**  trans73.4117.4-164-54.8-83.6000113.2
704S28.9Very low30.8Very low101 Ų101136.2 Ų136.271%0.70678%0.779SS**  cis75105.824.3-38.70000115.1
705F26.8Very low30.8Very low210 Ų210131.1 Ų131.192%0.92177%0.77SS**  trans-155.1165.4144.8-102.2-69.5000109.8
706S27.6Very low31Very low107 Ų107132.6 Ų132.675%0.74878%0.776SS**  trans-140.8-162.8-160.6-52.50000113
707F27Very low31Very low206 Ų206131.2 Ų131.290%0.90477%0.774SS**  trans78.3140.9-176.1-88.7-123.2000115.4
708S31.2Very low30.9Very low103 Ų103128.6 Ų128.672%0.7277%0.769SS**  cis-151149.8-4.643.80000109.2
709G30.4Very low32.1Very low65 Ų65127.7 Ų127.767%0.6777%0.766SS**  97135.791.500000109.9
710D30.7Very low32.2Very low146 Ų146129.8 Ų129.878%0.78176%0.764SS**  cis-141.2153.111-75.3-27.5000112.2
711E39.8Very low32.4Very low174 Ų174131 Ų13181%0.81377%0.765SS**  38.6153.2129.8-49.9-160133.900122.1
712T39.6Very low32.4Very low113 Ų113133.1 Ų133.169%0.69377%0.768SS**  cis-141.7145.126.547.80000114.8
713T35Very low32.1Very low113 Ų113132.8 Ų132.869%0.69377%0.765SS**  trans29.6143.914065.80000122.1
714T30.8Very low32.3Very low122 Ų122131 Ų13175%0.74876%0.76SS**  cis-176.7166.5-0.925.40000107.5
715S27.6Very low32.4Very low105 Ų105134.3 Ų134.373%0.73476%0.764SS**  cis179.5144.3-33.5-90.10000109.4
716A32.9Very low32.5Very low98 Ų98127.2 Ų127.281%0.8175%0.751SS**  trans69.1160.516300000117
717V30.3Very low32.6Very low141 Ų141128.8 Ų128.886%0.85576%0.756SS**  cis-127164.212.9178.10000111.5
718S29.6Very low32.7Very low105 Ų105123.3 Ų123.373%0.73475%0.748SS**  trans-94.9-144.7-174.3-53.60000113.6
719P55.4Low32.8Very low111 Ų111123.7 Ų123.772%0.72175%0.751SS**  -126.7-140.4-117.641.8-20.2000113.6
720T28.6Very low32.8Very low117 Ų117126.3 Ų126.372%0.71876%0.759SS**  trans68.4120.4175.640.40000115.5
721E33.6Very low33Very low176 Ų176128.4 Ų128.482%0.82276%0.761SS**  92.4169.568.7-77.8-164.6166.500112.8
722D29.1Very low32.7Very low147 Ų147129.1 Ų129.179%0.78676%0.762SS**  trans89.3138.8-164.4-63-19.2000115.8
723F29.4Very low32.3Very low166 Ų166128.9 Ų128.973%0.72876%0.76SS**  cis-147.6135.1-1.5-122.1-146000108
724L33.4Very low32.2Very low124 Ų124130.6 Ų130.665%0.64977%0.765SS**  70.8143.695.8-81.3174.2000119
725E31.2Very low32.4Very low171 Ų171128.3 Ų128.380%0.79976%0.759SS**  trans56.3153.3176.4-9855-127.700119.2
726G30.2Very low32.7Very low62 Ų62132.9 Ų132.964%0.63977%0.768SS**  cis159.6142.4-11.200000115.4
727V29.8Very low32.6Very low140 Ų140131.1 Ų131.185%0.84876%0.759SS**  trans74.298.6151.5-167.20000122
728A29Very low32.8Very low90 Ų90131.8 Ų131.874%0.74476%0.758SS**  45.9110.3128.200000125.6
729S31.9Very low32.9Very low112 Ų112133.9 Ų133.978%0.78376%0.756SS**  52.1115.7108.1-164.60000123.6
730S31.5Very low31.8Very low120 Ų120134.4 Ų134.484%0.83975%0.748SS**  trans-176.7176.6139.6-840000112.7
731K34.3Very low31.9Very low189 Ų189133.1 Ų133.182%0.82274%0.741SS**  164.8110.4-62.3173.7-177177.9-178.40111.6
732K32.7Very low31.7Very low190 Ų190133.2 Ų133.283%0.82673%0.734SS**  trans166.6130.5159.8-97.2172.2-179.4-175.50111.5
733T32.6Very low31.7Very low108 Ų108133.6 Ų133.666%0.66373%0.731SS**  62.7139.481.568.90000115.5
734D32.4Very low31.7Very low149 Ų149131.9 Ų131.980%0.79773%0.729SS**  cis-166.3163.20-114.9-33.9000114.6
735A34.3Very low31.5Very low74 Ų74130.4 Ų130.461%0.61273%0.729SS**  trans60.9132.5142.100000126.8
736Q35Very low31.3Very low200 Ų200127.7 Ų127.794%0.93572%0.724SS**  trans62.3152.1138-63.3167.30.500121.2
737G29.9Very low31.3Very low61 Ų61133.1 Ų133.163%0.62973%0.73SS**  cis160146.7-11.700000114.8
738L35.2Very low31.3Very low156 Ų156132.4 Ų132.482%0.81772%0.722SS**  trans68.8171.8167.4-75.262.5000115
739H31.2Very low31.6Very low149 Ų149134 Ų13469%0.6971%0.714SS**  cis-165.4176-0.1-124.8-162.9000109.7
740Q33.1Very low31.4Very low121 Ų121134.8 Ų134.857%0.56571%0.709SS**  cis-165.4138.5-5.2-148.6-168.8-92.800113.4
741T30.1Very low31.2Very low91 Ų91137.8 Ų137.856%0.55871%0.708SS**  trans64.2160.4141.344.80000128
742Y30.3Very low31.6Very low177 Ų177133.9 Ų133.969%0.69470%0.702SS**  trans96.8122.4156.8-56.9-63.3000117.1
743Q27.6Very low31.6Very low155 Ų155129.6 Ų129.672%0.72470%0.695SS**  cis91.3143.844.2-81.9-164-11.500113.4
744I30Very low31.4Very low130 Ų130133.6 Ų133.667%0.66771%0.707SS**  cis-168.5147.2-18.2-141.8172.5000109.3
745S28.7Very low31.2Very low94 Ų94135.6 Ų135.666%0.65771%0.708SS**  trans62.5170.6151-62.40000120.6
746T28.5Very low31Very low113 Ų113140.4 Ų140.469%0.69372%0.718SS**  cis-171.2177.7-2033.30000111.3
747F28.5Very low30.9Very low177 Ų177135.6 Ų135.678%0.77670%0.703SS**  trans78.8156156-85.1-95.3000120.2
748D30.4Very low31.2Very low124 Ų124137.7 Ų137.766%0.66371%0.708SS**  cis-176171.4-46.3-16310.3000111.7
749Q35.5Very low31.3Very low124 Ų124141 Ų14158%0.57971%0.709SS**  trans93.4141.5134.5-114.4164.785.200125
750N28.2Very low31.5Very low128 Ų128139.2 Ų139.268%0.68471%0.713SS**  trans90.9110.1162.1-54.6-50.7000118.3
751F26.6Very low31.4Very low184 Ų184136.7 Ų136.781%0.80772%0.72SS**  78.2149.157.9-85.3-92000114.6
752P42.8Very low31.5Very low107 Ų107139.7 Ų139.770%0.69573%0.731SS**  cis-139.2156.310.942-23.5000120.2
753S32.6Very low31.5Very low99 Ų99137.4 Ų137.469%0.69274%0.735SS**  trans23.2140.3141.171.20000125.6
754Q28.8Very low31.6Very low193 Ų193135.5 Ų135.590%0.90274%0.74SS**  -153.5172.1107.6-138.9172.96.600112
755F28.6Very low31.6Very low191 Ų191137.4 Ų137.484%0.83875%0.745SS**  trans-137.9153.9-166.1-112.1-93.7000111.7
756Q29.9Very low31.6Very low175 Ų175141.8 Ų141.882%0.81875%0.753SS**  -175.8129.6119.2-103.4-171.320.600114.9
757T31.9Very low31.6Very low99 Ų99142.4 Ų142.461%0.60776%0.757SS**  trans44.5145.9138.33.30000121.2
758S36Very low31.5Very low105 Ų105138.4 Ų138.473%0.73474%0.743SS**  cis-161.4174.520.2-29.60000109
759R38.9Very low31.7Very low225 Ų225136.8 Ų136.885%0.84975%0.746SS**  cis-177.1168.2-18.9-110.6-175.6170.6-171.5-2.8104.3
760S35.1Very low31.6Very low111 Ų111138.1 Ų138.178%0.77676%0.758SS**  cis-169.4165.1-4.737.20000105.4
761G31.2Very low31.8Very low68 Ų68135.3 Ų135.370%0.70176%0.759SS**  cis1721686.300000105.5
762I32.4Very low31.9Very low155 Ų155135.5 Ų135.580%0.79576%0.762SS**  -175.8113.355.2-85.3162.3000103.3
763T29.5Very low31.1Very low128 Ų128136.2 Ų136.279%0.78577%0.765SS**  50.8142.89563.20000115.5
764S29.1Very low30.8Very low116 Ų116136.4 Ų136.481%0.81177%0.766SS**  cis-153.4-154.318.9-156.30000113.9
765Q31.6Very low30.6Very low169 Ų169134.2 Ų134.279%0.7976%0.76SS**  trans-110.7160.4-154.4-66.8174.4-8.600117.6
766F26.7Very low30.4Very low186 Ų186135.3 Ų135.382%0.81676%0.758SS**  trans13.4140.3147.3-71.9-95.4000122.2
767T29.2Very low30.1Very low127 Ų127130.6 Ų130.678%0.77975%0.745SS**  -174145.4117.7-73.40000110.6
768I27.8Very low29.9Very low92 Ų92134.9 Ų134.947%0.47276%0.757SS.*  trans-140148.5155.9-70.4-163.7000109.3H102 P104H102-I768 VanDerWaalsContact CE1-CB 3.42Å; H102-I768 WeakPolarHBondContact CE1-CB 3.49Å; H102-I768 VanDerWaalsContact NE2-CB 3.32Å; H102-I768 WeakPolarHBondContact NE2-CB 3.47Å; H102-I768 VanDerWaalsContact NE2-CG2 3.26Å; H102-I768 WeakPolarHBondContact NE2-CG2 3.43Å; P104-I768 HydrophobicContact CB-CD1 3.95Å; P104-I768 HydrophobicContact CG-CD1 3.88Å; P104-I768 HydrophobicContact CG-CG1 4.27Å
769A33.7Very low29.5Very low90 Ų90132.6 Ų132.674%0.74475%0.75SS**  trans-128.5162.416700000110.7
770N32.9Very low29Very low152 Ų152128.3 Ų128.381%0.81375%0.75SS**  trans-85.9156.4-171.7-62.2-60.1000114.3
771G32Very low28.7Very low70 Ų70128.5 Ų128.572%0.72274%0.742SS**  trans161.9105.5168.200000109.9
772Q28.6Very low28.6Very low187 Ų187133.4 Ų133.487%0.87474%0.744SS**  cis87.5141.144.8-160.2-17225.500112.9
773V27.2Very low28.4Very low122 Ų122130.5 Ų130.574%0.73974%0.737SS**  trans74.8122.1-179.6-167.30000112.4
774S25.2Very low28.4Very low103 Ų103132.8 Ų132.872%0.7274%0.739SS**  cis94153.324.2-160.60000114.9
775L26.2Very low28.4Very low147 Ų147136.6 Ų136.677%0.7774%0.741SS**  trans62.6164.5-171.1-76.389.4000115.8
776R23.2Very low29.2Very low215 Ų215133.4 Ų133.481%0.81174%0.735SS**  cis-176.3147.7-41.1-155-171.1-167.1-179.32.8107.2
777S23.4Very low29.6Very low76 Ų76130.5 Ų130.553%0.53173%0.727SS.*  trans57.7137.2144.261.70000122.4
778H28.4Very low29.8Very low188 Ų188128.4 Ų128.487%0.8771%0.708SS**  trans66.1141.3165.4-50.7-67.6000116.4
779G26.9Very low30.1Very low57 Ų57127.6 Ų127.659%0.58871%0.708SS**  cis138.5155.1-1.700000111.2
780T29.7Very low30.1Very low136 Ų136133.4 Ų133.483%0.83471%0.711SS**  trans61.8154.6-177.936.70000113.6
781D27Very low30Very low115 Ų115130.1 Ų130.162%0.61570%0.699SS**  cis-158.1167.516.9-137.9-15.7000113.4
782F29.1Very low30.2Very low171 Ų171134.3 Ų134.375%0.7570%0.7SS**  trans61.1128.9167.4-64.9-65.4000118.9
783S30.1Very low30.5Very low93 Ų93131.3 Ų131.365%0.6569%0.69SS**  65.8139.776.1-87.80000114.1
784E28.3Very low30.6Very low176 Ų176132.2 Ų132.282%0.82269%0.69SS**  cis-155.8171.8-3.7-150.7153.7127.300110.9
785F28.6Very low30.8Very low196 Ų196132.8 Ų132.886%0.8669%0.694SS**  trans-84.7-177.8173.9-92.8-78000111.5
786P49.5Very low31Very low102 Ų102131.1 Ų131.166%0.66270%0.695SS**  cis-138.4-160.3-11.4216.9000115.6
787I34.3Very low32.3Very low125 Ų125125.5 Ų125.564%0.64169%0.686SS**  trans93.9122.8145.64.6179.2000124.9
788E33.2Very low32.5Very low83 Ų83128.9 Ų128.939%0.38870%0.698SS.*  115.6130.1119-120.3-174.8-152.900123.1P652 S653 L654 S655P652-E788 WeakPolarHBondContact CB-O 3.46Å; S653-E788 WeakPolarHBondContact CA-O 3.13Å; S653-E788 PolarHBondContact N-O 2.62Å; L654-E788 WeakPolarHBondContact CA-OE2 3.3Å; L654-E788 PolarHBondContact N-OE2 2.97Å; S655-E788 PolarHBondContact N-OE2 3.35Å
789T34.1Very low32.6Very low75 Ų75123.9 Ų123.946%0.4669%0.69SS.*  trans47.6116.5143.741.20000125.7P652 S653P652-T789 CarbonylContact C-O 3.6Å; S653-T789 PolarHBondContact N-O 3.03Å; S653-T789 VanDerWaalsContact N-O 3.09Å
790R33.4Very low32.8Very low212 Ų212127.9 Ų127.980%0.870%0.703SS**  58.191.697.2-161.4-178.9-172.6168.72.4122.9
791S32.3Very low33Very low83 Ų83126 Ų12658%0.5870%0.695SS**  20.8135.513066.90000123.5
792Q36.7Very low33.2Very low159 Ų159125.7 Ų125.774%0.74370%0.702SS**  175.5147.7105-102.4-162.4114.700118.5
793L34.5Very low33.8Very low124 Ų124126.5 Ų126.565%0.64971%0.709SS**  trans73.7126.5145.7-67.4166000124.3
794N29.2Very low34.2Very low141 Ų141127.7 Ų127.775%0.75471%0.712SS**  trans62.5155.3144.3-51.2-14.2000119
795S28.6Very low34.2Very low115 Ų115129.3 Ų129.380%0.80472%0.717SS**  cis-147.516811.6-46.10000112.3
796S30.3Very low35.1Very low112 Ų112127.1 Ų127.178%0.78375%0.749SS**  trans-78.1170.3158.5-129.40000110.6
797P51.8Low34.4Very low97 Ų97128.4 Ų128.463%0.6375%0.754SS**  -150.9-167.752.444.8-23.6000117.3
798D27.2Very low34.4Very low146 Ų146128.5 Ų128.578%0.78176%0.759SS**  trans59.2124.4157.4-55.6-31.3000119.8
799A29.8Very low34.5Very low84 Ų84131.1 Ų131.169%0.69478%0.78SS**  cis103105.929.600000114.1
800T31.4Very low34.5Very low140 Ų140134.4 Ų134.486%0.85980%0.799SS**  trans-164.7144.7146.1-0.10000114
801S33.3Very low34.5Very low97 Ų97129.5 Ų129.568%0.67880%0.799SS**  trans29.3112.5150.960.70000122.6
802S32.9Very low34.7Very low109 Ų109132.6 Ų132.676%0.76281%0.813SS**  53.7108.3110.2-45.80000121.8
803Q40.6Very low34.6Very low188 Ų188130.7 Ų130.788%0.87982%0.818SS**  -160.4130.2123.4-100158.344.300107.4
804T37.6Very low34.6Very low117 Ų117131.2 Ų131.272%0.71883%0.831SS**  8797.557.2-57.20000112.7
805F30.2Very low35Very low210 Ų210130.4 Ų130.492%0.92184%0.838SS**  trans49.9119.9155.6-81.7-93.4000121.1
806G46.6Very low35.6Very low150 Ų150131.8 Ų131.8100%1.54684%0.841SS**  trans-150.90154.600000108.6

Retrieved 806 of 806 residues in 895.9 ms (Link to these results)