X2JGK1_DROME Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession X2JGK1, Species DROME (Drosophila melanogaster, Fruit fly), Gene CG18490, Length 1,302 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.3Very low44.6Very low227 Ų227139.4 Ų139.4100%1.11881%0.805SS**  0139.90-71146.764.800107.6
2T45.3Very low44.7Very low125 Ų125135.8 Ų135.877%0.76780%0.804SS**  trans41132.7149.354.80000119.9
3S46.6Very low44.5Very low89 Ų89132.8 Ų132.862%0.62280%0.804SS**  cis-167.9152.520.41.70000113.1
4Y46.4Very low44.3Very low213 Ų213128.9 Ų128.984%0.83579%0.793SS**  trans42.3120.7154.2-45.6-58.1000119.5
5A45.5Very low44.1Very low80 Ų80129.3 Ų129.366%0.66180%0.795SS**  cis74.812933.700000116.1
6N46.3Very low43.9Very low164 Ų164129.2 Ų129.288%0.87779%0.794SS**  trans-169.6140.6143.1-96.9-26.8000110.4
7D43.2Very low43.7Very low147 Ų147126.2 Ų126.279%0.78679%0.785SS**  trans-101.8175.5-166.5-49.3-91.2000114.3
8T47.5Very low43.5Very low139 Ų139126.3 Ų126.385%0.85379%0.786SS**  -169.1144.4126.5-76.20000110.8
9T39.5Very low43.3Very low125 Ų125125.4 Ų125.477%0.76778%0.784SS**  trans-148.2151.7-178.9-74.80000111.6
10T46.7Very low43.1Very low134 Ų134124.3 Ų124.382%0.82279%0.788SS**  trans-159128.1161.9-69.80000108.3
11A43.3Very low42.9Very low90 Ų90123 Ų12374%0.74479%0.789SS**  cis10158.98.900000118.4
12A45.8Very low42.9Very low96 Ų96116.3 Ų116.379%0.79377%0.77SS**  trans-142.9128.215200000109
13A41.6Very low42.6Very low98 Ų98116.5 Ų116.581%0.8177%0.77SS**  cis84.2136.726.100000114.7
14A41.8Very low42.3Very low78 Ų78117.2 Ų117.265%0.64578%0.775SS**  cis-172.6160.9-13.100000111.8
15T41.4Very low42.1Very low135 Ų135112.2 Ų112.283%0.82877%0.772SS**  trans60.1165.114852.70000120.8
16T41.4Very low41.8Very low127 Ų127116 Ų11678%0.77978%0.781SS**  cis-172.7168-31.2-79.20000108.5
17A40Very low41.5Very low78 Ų78111.5 Ų111.565%0.64577%0.773SS**  trans91.6104.9154.300000122.7
18T40.3Very low41.3Very low129 Ų129109.2 Ų109.279%0.79177%0.774SS**  63.1139.7123.659.50000126.1
19S39.8Very low41Very low108 Ų108107.3 Ų107.376%0.75577%0.773SS**  trans79101.5137.160.60000123.6
20A39.8Very low40.9Very low103 Ų103110.2 Ų110.285%0.85178%0.778SS**  79.9135.511600000124
21A39Very low40.6Very low98 Ų98108 Ų10881%0.8177%0.773SS**  trans85114.1143.800000123.2
22A39.6Very low40.4Very low87 Ų87108.2 Ų108.272%0.71978%0.775SS**  88.2124.1125.800000124.2
23T39Very low40.1Very low128 Ų128109.7 Ų109.779%0.78577%0.774SS**  trans72104.2133.351.40000125
24S40.4Very low40Very low104 Ų104110.7 Ų110.773%0.72777%0.77SS**  73.4145.4119.6660000125.8
25S41.5Very low40Very low108 Ų108109 Ų10976%0.75576%0.756SS**  trans76.7150153.877.30000118.5
26D40Very low39.9Very low161 Ų161106.8 Ų106.886%0.86174%0.742SS**  cis-162.4164.4-10.5-132.4-43.4000114.7
27G40.2Very low39.8Very low68 Ų68101.7 Ų101.770%0.70171%0.713SS**  trans70.2164.6157.500000122.1
28A39.9Very low39.9Very low99 Ų9999.3 Ų99.382%0.81869%0.693SS**  cis-172154.2-19.800000114.2
29A39.5Very low40Very low99 Ų9996 Ų9682%0.81867%0.668SS**  trans62.1157.6152.600000123.1
30E38.2Very low40.2Very low187 Ų18796.6 Ų96.687%0.87466%0.659SS**  cis-170.6157.5-32.7-153-170.7155.900113.6
31A39.4Very low40.2Very low88 Ų8895.8 Ų95.873%0.72765%0.648SS**  trans83.3135146.300000128.5
32A39.8Very low40.2Very low94 Ų9495 Ų9578%0.77764%0.642SS**  trans78.3165.1144.200000125.5
33T39.4Very low40.1Very low126 Ų12698 Ų9877%0.77365%0.65SS**  -168.3126.9-53.547.40000117.4
34T40.6Very low40.1Very low119 Ų11995.9 Ų95.973%0.7365%0.654SS**  76.2149.3127.3-48.40000127.5
35A40.6Very low40Very low42 Ų4294.4 Ų94.435%0.34766%0.656SS.*  trans76.9158.1167.100000118.9Q371A35-Q371 CarbonylContact C-O 3.59Å; A35-Q371 CarbonylContact O-C 3.53Å; A35-Q371 WeakPolarHBondContact O-CB 3.49Å
36V40.6Very low39.9Very low90 Ų9096.3 Ų96.355%0.54566%0.662SS.*  cis114.6115.4-9-178.50000123.2R370 Q371V36-R370 CarbonylContact C-O 3.34Å; V36-R370 WeakPolarHBondContact CA-O 3.26Å; V36-R370 PolarHBondContact N-O 2.98Å; V36-Q371 PolarHBondContact N-O 3.15Å; V36-Q371 PolarHBondContact O-OE1 2.99Å
37A39.3Very low39.7Very low19 Ų1992.7 Ų92.716%0.15766%0.655CS.*BIsolated β-bridgetrans149.6128.6146.300000122.1Q366 L367 A368 L369 R370A37-Q366 CarbonylContact C-O 3.18Å; A37-L367 HydrophobicContact CB-CD2 4Å; A37-A368 VanDerWaalsContact CA-N 3.28Å; A37-A368 VanDerWaalsContact N-C 3.25Å; A37-A368 PolarHBondContact N-O 3.5Å; A37-L369 VanDerWaalsContact C-N 3.34Å; A37-R370 HydrophobicContact CB-CB 4.02Å; A37-R370 HydrophobicContact CB-CG 4.39Å; A37-R370 PolarHBondContact N-O 2.19Å; A37-R370 VanDerWaalsContact O-CA 3.31Å; A37-R370 WeakPolarHBondContact O-CA 3.26Å; A37-R370 WeakPolarHBondContact O-CB 3.44Å; A37-R370 WeakPolarHBondContact O-CG 3.49Å; A37-R370 PolarHBondContact O-N 3.09Å
38A41.2Very low40.1Very low28 Ų2895 Ų9523%0.23166%0.657CS.*  trans-125.9-170-162.600000117.9Q366 A368 L369A38-Q366 PolarHBondContact N-O 3.24Å; A38-Q366 CarbonylContact O-C 3.59Å; A38-Q366 WeakPolarHBondContact O-CA 3.43Å; A38-A368 HydrophobicContact CB-CB 3.91Å; A38-L369 HydrophobicContact CB-CB 3.73Å; A38-L369 HydrophobicContact CB-CD1 4.14Å; A38-L369 HydrophobicContact CB-CG 3.8Å
39H43Very low39.9Very low59 Ų5996 Ų9627%0.27366%0.659SS.*  160.5143.7121.2-94.6-137.3000120.6T363 A364 M365 Q366 L367H39-T363 WeakPolarHBondContact NE2-CA 3.44Å; H39-T363 PolarHBondContact NE2-N 3.07Å; H39-T363 VanDerWaalsContact NE2-N 3.15Å; H39-T363 PolarHBondContact NE2-O 3.24Å; H39-A364 VanDerWaalsContact NE2-C 3.32Å; H39-A364 WeakPolarHBondContact NE2-CA 3.18Å; H39-A364 PolarHBondContact NE2-N 3.36Å; H39-M365 WeakPolarHBondContact CA-O 3.42Å; H39-M365 VanDerWaalsContact CB-C 3.49Å; H39-M365 VanDerWaalsContact CB-O 3.25Å; H39-M365 WeakPolarHBondContact CB-O 3.36Å; H39-M365 PolarHBondContact CD2-O 3.24Å; H39-M365 VanDerWaalsContact ND1-CA 3.3Å; H39-M365 WeakPolarHBondContact ND1-CA 3.37Å; H39-M365 PolarHBondContact ND1-O 2.88Å; H39-M365 WeakPolarHBondContact NE2-CA 3.33Å; H39-M365 PolarHBondContact NE2-N 3.25Å; H39-Q366 WeakPolarHBondContact CD2-CA 2.98Å; H39-Q366 PolarHBondContact CD2-N 3.36Å; H39-Q366 PolarHBondContact CE1-N 2.68Å; H39-Q366 PolarHBondContact CE1-OE1 3.15Å; H39-Q366 WeakPolarHBondContact ND1-CA 3.41Å; H39-Q366 PolarHBondContact ND1-N 3.36Å; H39-Q366 PolarHBondContact ND1-OE1 3.25Å; H39-Q366 PolarHBondContact NE2-N 2.6Å; H39-Q366 PolarHBondContact NE2-OE1 2.76Å; H39-Q366 VanDerWaalsContact NE2-OE1 3.15Å; H39-L367 PolarHBondContact CD2-N 2.94Å
40Q42.5Very low40Very low121 Ų12196.6 Ų96.657%0.56566%0.663SS**  trans64.4170.5138.5-71.3-171116.100123.8M365Q40-M365 HydrophobicContact CG-CB 3.97Å; Q40-M365 HydrophobicContact CG-CG 3.65Å; Q40-M365 HydrophobicContact CG-SD 4.11Å
41S40.7Very low40Very low87 Ų8794.9 Ų94.961%0.60866%0.66SS**  cis177.5164.7-31.8-172.50000112.7
42A39.3Very low39.7Very low82 Ų8296 Ų9668%0.67866%0.658SS**  trans72.6161.1151.600000119.4
43V38.2Very low39.4Very low148 Ų14896.3 Ų96.390%0.89765%0.654SS**  cis-164.5162.9-11.5-1040000112.4
44G38.8Very low39.5Very low85 Ų85100.2 Ų100.288%0.87666%0.66SS**  trans88.6159.5166.900000115
45G37.8Very low39.4Very low73 Ų73100 Ų10075%0.75366%0.659SS**  cis161.6163.1-0.200000109
46V38.8Very low39.5Very low148 Ų148107.1 Ų107.190%0.89768%0.682SS**  cis-153171.8-6.3-170.10000108.1
47A36.9Very low39.6Very low85 Ų85107.4 Ų107.470%0.70269%0.688SS**  trans-72.7172.917000000112.3
48P48Very low40.1Very low115 Ų115116.8 Ų116.875%0.74772%0.719SS**  cis-147.3-177.226.545.1-24.1000119.3
49S36.3Very low40Very low122 Ų122122.1 Ų122.185%0.85374%0.744SS**  trans32.9123.8150.2-55.80000122.9
50A40.6Very low40Very low110 Ų110126.8 Ų126.891%0.90977%0.771SS**  trans-149.7139.4150.700000113.2
51D37.8Very low39.9Very low152 Ų152128.1 Ų128.181%0.81378%0.781SS**  trans-74.9-149.9-162.9-148.4-43.4000117
52T34Very low39.6Very low111 Ų111128.9 Ų128.968%0.68179%0.787SS**  trans-132.9171.9-155.562.10000114.5
53S33.9Very low39.5Very low101 Ų101132.6 Ų132.671%0.70679%0.794SS**  trans78.1139.4154.484.70000121
54K40.2Very low39.6Very low207 Ų207129.1 Ų129.190%0.979%0.787SS**  trans174.8149.7150-98.6154.5-174.3170.10109.9
55V38.5Very low39.4Very low115 Ų115136.7 Ų136.770%0.69779%0.79SS**  cis-176.8162.3-44.9130.50000108.7
56K44.3Very low39.5Very low191 Ų191136.1 Ų136.183%0.8378%0.784SS**  trans81.1143.3175.5-74.2157.6-177.9176.30116.4
57S42.7Very low39.3Very low97 Ų97136.4 Ų136.468%0.67878%0.775SS**  cis-157.5151.45.9-136.30000115.3
58R49.1Very low39.4Very low215 Ų215143.1 Ų143.181%0.81178%0.784SS**  trans69.578.8149.2-75.9178.6172.1159.5-2.9121.1
59D38.1Very low38.8Very low141 Ų141142 Ų14275%0.75478%0.775SS**  31.7127.9103.8-42-59.1000120.4
60N44.5Very low38.7Very low156 Ų156143.5 Ų143.583%0.83477%0.773SS**  -155.9154123.1-110.6-56.8000112.6
61L40.4Very low38.6Very low149 Ų149145.8 Ų145.878%0.7877%0.77SS**  trans-50.8143.1-166.5-78.852.7000115
62S33.1Very low38.4Very low104 Ų104146.3 Ų146.373%0.72777%0.773SS**  63.4128.164.3-160.40000111.9
63I38.6Very low38.7Very low160 Ų160144.4 Ų144.482%0.82178%0.775SS**  -147.8127.454.1-70150.4000109.2
64G38.4Very low38.8Very low74 Ų74147.9 Ų147.976%0.76379%0.786SS**  103.1158.394.800000112.2
65R35.6Very low38.4Very low245 Ų245142.9 Ų142.993%0.92578%0.777SS**  cis-161.4145.9-6-170.7-176.1-169.7-148.24.4109.8
66G40.2Very low38.1Very low61 Ų61141.9 Ų141.963%0.62978%0.776SS**  trans105.5117.4-178.800000111.6
67Q33.5Very low37.5Very low154 Ų154140.3 Ų140.372%0.7278%0.776SS**  cis57.3124.835.6-49.2177.8-69.900111V69Q67-V69 HydrophobicContact CB-CG2 4.32Å; Q67-V69 HydrophobicContact CG-CG2 4.44Å
68Y39.7Very low37.2Very low225 Ų225139 Ų13988%0.88278%0.779SS**  cis-107.2156.720.7-69.3-87.1000112
69V34.9Very low36.9Very low92 Ų92139.3 Ų139.356%0.55878%0.78SS**  cis58.41321.4-74.40000119.8Q67Q67-V69 HydrophobicContact CB-CG2 4.32Å; Q67-V69 HydrophobicContact CG-CG2 4.44Å
70D34.3Very low36.9Very low154 Ų154138.1 Ų138.182%0.82477%0.77SS**  cis-98.8-114.215.2-65.7-73.5000115.8
71D39.7Very low36.4Very low157 Ų157139.2 Ų139.284%0.8477%0.767SS**  cis-155.4168.911.9-170.310.5000110.2
72D33.3Very low36.7Very low163 Ų163136 Ų13687%0.87276%0.762SS**  trans-93.4166.7-170.3-86.7-50000115.8
73G40Very low37.1Very low71 Ų71137.7 Ų137.773%0.73276%0.763SS**  trans-171.119.9-177.300000122S75G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.08Å
74N35.6Very low37.6Very low174 Ų174136.2 Ų136.293%0.9376%0.761SS**  trans-81.184.4174.4-175.995000112.2
75S32.3Very low38.3Very low102 Ų102136.4 Ų136.471%0.71375%0.748SS**  trans-151.8118.8166.6-158.60000108.5G73G73-S75 PolarHBondContact O-N 3.18Å; G73-S75 VanDerWaalsContact O-N 3.08Å
76S31.4Very low39.1Very low95 Ų95130.7 Ų130.766%0.66474%0.742SS**  65.6129.993.7-146.50000115.5
77D32.7Very low39.9Very low157 Ų157135.3 Ų135.384%0.8475%0.748SS**  trans69.5142164.5-66.6-73.9000121.1
78G37.1Very low40.5Very low71 Ų71133.6 Ų133.673%0.73274%0.743SS**  trans93.5124.816800000115.8
79R41.8Very low41Very low221 Ų221129.8 Ų129.883%0.83474%0.737SS**  cis-154126.4-13.2-121.2-169.8151.8131.1-6.3106.8
80E37.5Very low41.9Very low116 Ų116130.6 Ų130.654%0.54273%0.733SS.*  71.3101.198.2-172163.6-139.600116
81K34.2Very low42.9Very low178 Ų178130.6 Ų130.677%0.77473%0.726SS**  trans45.5120.6139.7-54167.6-160.51470119.6
82A47.6Very low43.4Very low83 Ų83129.3 Ų129.369%0.68672%0.717SS**  trans-140.640.314800000111.6T84A82-T84 PolarHBondContact O-N 3.17Å; A82-T84 PolarHBondContact O-OG1 3.36Å
83D40.7Very low44.4Very low138 Ų138125.5 Ų125.574%0.73871%0.708SS**  trans-60.6104.2166.4-176.96.3000108T85D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 PolarHBondContact O-N 3.35Å
84T48.9Very low45.1Very low129 Ų129127.7 Ų127.779%0.79170%0.7SS**  trans-97.546.8-156.55.80000112.1A82A82-T84 PolarHBondContact O-N 3.17Å; A82-T84 PolarHBondContact O-OG1 3.36Å
85T53.5Low45.9Very low78 Ų78126 Ų12648%0.47969%0.689SS.*  trans-59138.4161.551.10000109.5D83 E87D83-T85 VanDerWaalsContact C-N 3.28Å; D83-T85 PolarHBondContact O-N 3.35Å; T85-E87 PolarHBondContact O-N 3.19Å
86P52.6Low47Very low125 Ų125127.9 Ų127.981%0.81269%0.69SS**THydrogen-bonded Turntrans-76.511.3-161.429.6-36.9000115.9
87E55.9Low48Very low158 Ų158130.4 Ų130.474%0.73870%0.696SS**THydrogen-bonded Turntrans-91.2-33.7-167-59.8-163.2118.700114.8T85 I89T85-E87 PolarHBondContact O-N 3.19Å; E87-I89 PolarHBondContact O-N 2.97Å
88N46.4Very low48.7Very low118 Ų118128.1 Ų128.163%0.63169%0.692SS**G310 helixtrans-75-21-168-82.5-34000115.5K90 K91N88-K90 PolarHBondContact O-N 3.48Å; N88-K91 PolarHBondContact O-N 3.33Å
89I51.4Low49.5Very low146 Ų146130.1 Ų130.175%0.74969%0.692SS**G310 helixtrans-67.2-21.7-179-64.6176.6000111.6E87 K91E87-I89 PolarHBondContact O-N 2.97Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 2.96Å
90K53.8Low49.5Very low108 Ų108127.6 Ų127.647%0.4770%0.695SS.*G310 helixtrans-71.8-16.2-177-127.1-178.1175.377.20114.8N88 L1105N88-K90 PolarHBondContact O-N 3.48Å; K90-L1105 HydrophobicContact CD-CD2 4.34Å
91K54.4Low49.5Very low155 Ų155125.1 Ų125.167%0.67470%0.701SS**G310 helixtrans-91-12.6-174.8-76.7-176.1174.3176.90116N88 I89 I95N88-K91 PolarHBondContact O-N 3.33Å; I89-K91 VanDerWaalsContact C-N 3.3Å; I89-K91 PolarHBondContact O-N 2.96Å; K91-I95 WeakPolarHBondContact O-CD1 3.03Å
92I49.8Very low49.7Very low130 Ų130122.7 Ų122.767%0.66770%0.701SS**THydrogen-bonded Turntrans-91.9-26-178-60.6176.7000111.4E94I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 PolarHBondContact O-N 3.27Å
93A54.1Low49.3Very low82 Ų82125.6 Ų125.668%0.67871%0.71SS**THydrogen-bonded Turntrans-80.60.6177.600000114.5
94E54.8Low49.2Very low118 Ų118124.2 Ų124.255%0.55171%0.712SS**THydrogen-bonded Turntrans-113.713-174.5-161.7153.5-121.900112.6I92 K1106I92-E94 VanDerWaalsContact C-N 3.27Å; I92-E94 PolarHBondContact O-N 3.27Å; E94-K1106 IonicContact OE1-NZ 3.29Å; E94-K1106 PolarHBondContact OE1-NZ 3.12Å
95I52.2Low48.7Very low138 Ų138122.3 Ų122.371%0.70871%0.709SS**SBendtrans-116.8-3.9-175.8-62.8175.6000112K91K91-I95 WeakPolarHBondContact O-CD1 3.03Å
96I55.9Low48Very low142 Ų142125.8 Ų125.873%0.72873%0.725SS**SBendtrans-103.8-24.9-172.8-62.5177.8000113.1
97D53.2Low47.3Very low147 Ų147124.4 Ų124.479%0.78672%0.718SS**SBendtrans-103.379177.8-74.7-38.2000111.7
98S47.8Very low46.9Very low110 Ų110122.3 Ų122.377%0.76972%0.718SS**  trans-161.998.3169.1-76.90000113.7
99P52.1Low46.5Very low112 Ų112124.8 Ų124.873%0.72773%0.729SS**  trans-96.5130162.834-28.2000112.5
100D41.9Very low46.3Very low168 Ų168123 Ų12390%0.89873%0.728SS**  trans53.6139.6144.7-50-41.5000123.1
101G38.1Very low45.5Very low65 Ų65123.7 Ų123.767%0.6775%0.746SS**  trans118.569.4162.700000117.2
102T39.6Very low45.1Very low127 Ų127122.3 Ų122.378%0.77975%0.753SS**  73.9120.495.159.10000119.2
103T39Very low44.5Very low143 Ų143126.3 Ų126.388%0.87776%0.76SS**  trans67158.3155.262.10000120.4
104S37.1Very low43.8Very low110 Ų110129.5 Ų129.577%0.76976%0.76SS**  cis-170.7153.8-37.2-167.40000110.8
105A38.7Very low43.2Very low88 Ų88129.3 Ų129.373%0.72777%0.767SS**  trans66.2159.816500000117.8
106N38.9Very low42.6Very low152 Ų152130.6 Ų130.681%0.81377%0.77SS**  cis-148.6178.2-8.2-140.7-9.7000114.4
107S39.4Very low41.8Very low95 Ų95130.5 Ų130.566%0.66477%0.77SS**  trans-43.4167.6-17446.30000123.4
108P46.3Very low41.1Very low115 Ų115133.9 Ų133.975%0.74777%0.772SS**  trans-113.5179.917843.7-35000114.9
109I38.9Very low40.5Very low169 Ų169135 Ų13587%0.86777%0.769SS**  trans-171156.1146.6-104.7153.9000113.5
110P46.7Very low40.3Very low109 Ų109134.6 Ų134.671%0.70877%0.766SS**  trans-126.9173.5-173.243.4-30.5000116.8
111S37.8Very low40Very low122 Ų122134.5 Ų134.585%0.85376%0.763SS**  trans-174.7143.7150.9-84.80000115.3
112P44.3Very low39.8Very low127 Ų127138.8 Ų138.883%0.82577%0.77SS**  trans-118177169.641.5-31.6000113.7
113R37.9Very low40.2Very low214 Ų214138.4 Ų138.481%0.80877%0.77SS**  trans-158.4143.1171.9-130.4-172.8168.9133.62.4117
114H39.7Very low40.1Very low149 Ų149134.5 Ų134.569%0.6976%0.758SS**  trans66.9158.6160.9-66.2174.4000115.9
115V42.5Very low40.2Very low113 Ų113134.5 Ų134.569%0.68574%0.744SS**  cis-158.1-178.2-11.9-98.30000107
116Q39.5Very low40.5Very low165 Ų165134.5 Ų134.577%0.77174%0.735SS**  cis-144.5-119.212.5-159.5130.6-57.100113.7
117L38Very low40.7Very low140 Ų140129.9 Ų129.973%0.73372%0.723SS**  trans-143.8165.2-159.1-98.369.5000109.7
118R38.6Very low40.8Very low218 Ų218134.7 Ų134.782%0.82374%0.74SS**  cis-138168.83.2-104.5176.6172.6176.7-2.6107.9
119N35.4Very low40.4Very low135 Ų135132.4 Ų132.472%0.72274%0.738SS**  cis92.9144.235.2-53.8113.3000116.4
120P47.1Very low40.5Very low102 Ų102129.6 Ų129.666%0.66274%0.74SS**  trans-141.3-165.8-142.637.3-13.6000118
121M36.9Very low40.2Very low167 Ų167128.5 Ų128.582%0.82374%0.74SS**  trans115.6114.4150.5-58.9-56.6-172.100121.9
122N33.8Very low40.6Very low154 Ų154130.5 Ų130.582%0.82474%0.739SS**  51.5169.3122.9-121.427000124.7
123P47Very low40.4Very low119 Ų119131.4 Ų131.477%0.77374%0.737SS**  -132.7176-97.443.5-25.3000119.9
124G37.9Very low40.5Very low61 Ų61127.8 Ų127.863%0.62973%0.734SS**  trans159.5177.8169.700000114.3
125F39.9Very low40.5Very low110 Ų110125.3 Ų125.348%0.48273%0.733SS.*  cis163.3129.4-19.5-176-127.6000111.5S387 A388 E389F125-S387 VanDerWaalsContact CE2-CA 3.41Å; F125-S387 VanDerWaalsContact CZ-OG 3.23Å; F125-S387 WeakPolarHBondContact CZ-OG 3.31Å; F125-A388 VanDerWaalsContact CD2-N 3.33Å; F125-A388 VanDerWaalsContact CE2-N 3.28Å; F125-E389 VanDerWaalsContact CA-CD 3.46Å; F125-E389 WeakPolarHBondContact CA-OE2 3.07Å; F125-E389 PolarHBondContact N-OE2 3Å
126V43.7Very low40.4Very low89 Ų89125.9 Ų125.954%0.53974%0.741SS.*  cis-159.1171.7-3.6-1040000110.7E389V126-E389 WeakPolarHBondContact CA-OE1 3.34Å; V126-E389 HydrophobicContact CB-CG 4.22Å; V126-E389 HydrophobicContact CG1-CG 3.81Å; V126-E389 PolarHBondContact N-OE1 3.33Å
127G42.5Very low40.6Very low55 Ų55121.2 Ų121.257%0.56774%0.738SS**  cis163.2-1712.200000114.4
128L42.5Very low40.8Very low195 Ų195123.9 Ų123.9100%1.02174%0.743SS**  trans84.4154.6177.1-56.6160.5000118.7
129G38.3Very low40.9Very low67 Ų67123 Ų12369%0.69175%0.746SS**  cis163.3142.3-14.800000116.5
130A40.4Very low41.1Very low110 Ų110121.7 Ų121.791%0.90975%0.746SS**  trans64.6162.9165.900000120
131A41.1Very low40.9Very low86 Ų86125.3 Ų125.371%0.71176%0.759SS**  cis-172.3-179.8-29.200000109.6
132I44.9Very low41Very low164 Ų164120.8 Ų120.884%0.84176%0.755SS**  trans73.7127175.2-49.2169.7000112.8
133D40.5Very low41.4Very low146 Ų146123.4 Ų123.478%0.78176%0.759SS**  cis107142.221.2-163.532.9000114.4
134D40.8Very low41.6Very low139 Ų139123 Ų12374%0.74376%0.756SS**  trans43.9128.4174-114.9-17.6000125.3
135S39.7Very low41.7Very low96 Ų96125.4 Ų125.467%0.67176%0.761SS**  trans16118.6137.5-170.80000121.8
136C40Very low42.9Very low125 Ų125126.6 Ų126.685%0.84578%0.78SS**  168.9156.9122.7-92.40000114.6
137G44.4Very low43.2Very low68 Ų68127.4 Ų127.470%0.70179%0.789SS**  trans74.5121.4164.500000115.5
138K42.2Very low43.1Very low195 Ų195129.8 Ų129.885%0.84879%0.794SS**  42.5106.762.3-61.1-174.2179.2-179.80113.3
139F39.9Very low42.9Very low200 Ų200125.3 Ų125.388%0.87779%0.786SS**  -163173.6100.9-102.7-68.7000111.6
140C38.8Very low42.9Very low107 Ų107129.4 Ų129.472%0.72379%0.787SS**  trans-93.6-164.8-161-51.90000113.8
141L42.9Very low42.7Very low178 Ų178132 Ų13293%0.93278%0.778SS**  trans79107.3-178.6-47.3167.2000113.1
142G40.4Very low42.4Very low72 Ų72131.9 Ų131.974%0.74278%0.777SS**  cis110.5116.52.700000112.9
143K41.5Very low41.9Very low210 Ų210129.1 Ų129.191%0.91378%0.779SS**  trans-161152.9161.2-108.1151-172.8172.80110.8
144P51.2Low41.8Very low109 Ų109126.9 Ų126.971%0.70878%0.78SS**  trans-95170.5-156.637.2-37000114.6
145P41.1Very low41.7Very low112 Ų112123.7 Ų123.773%0.72777%0.774SS**  trans-62.9151.9169.527.9-36.6000112.4S147P145-S147 PolarHBondContact O-N 3.44Å; P145-S147 VanDerWaalsContact O-N 3.12Å
146P64.4Low41.8Very low136 Ų136128.2 Ų128.288%0.88378%0.784SS**  trans-71.8106.8-178.528.2-34.2000112.4
147S49.7Very low41.6Very low105 Ų105127.2 Ų127.273%0.73478%0.778SS**  trans-61.6158.8166.450.70000112.5P145P145-S147 PolarHBondContact O-N 3.44Å; P145-S147 VanDerWaalsContact O-N 3.12Å
148P41.3Very low41.3Very low105 Ų105135.4 Ų135.468%0.68279%0.788SS**  trans-78.7153.2178.432.6-35.4000113.7
149A37.8Very low41.1Very low102 Ų102130.3 Ų130.384%0.84378%0.783SS**  trans65.5117.9156.400000120.2
150E37.1Very low41.1Very low152 Ų152127.4 Ų127.471%0.7178%0.776SS**  -155.8150.5127.1-127.2-135.612900111.9
151K36.7Very low41.2Very low164 Ų164129.5 Ų129.571%0.71378%0.775SS**  trans56.7148.4166.5-65.3175.2171.867.30119.4
152A35Very low41.1Very low85 Ų85127.8 Ų127.870%0.70276%0.762SS**  cis-167.3148.1-25.300000109.3
153A35.4Very low40.9Very low106 Ų106132.8 Ų132.888%0.87677%0.766SS**  trans61.7142.4168.900000117.7
154A37.7Very low40.7Very low98 Ų98125.5 Ų125.581%0.8175%0.751SS**  cis-163.2-175.4-18.600000106.9
155A37.7Very low40.2Very low73 Ų73127.1 Ų127.160%0.60376%0.759SS**  cis-157.6163.13.100000109.9
156Q42Very low40.1Very low191 Ų191127.5 Ų127.589%0.89376%0.762SS**  trans62.5138.2158.6-55.6164.113.800117.7
157S36.9Very low39Very low104 Ų104127 Ų12773%0.72776%0.758SS**  cis-168.2163.4-2460.90000105.3
158R36.7Very low38.1Very low239 Ų239125.7 Ų125.790%0.90276%0.761SS**  cis-152.2174.121.1-64.7179.7-176.8-179.4-0.6106.9
159A39.6Very low37.5Very low89 Ų89127.8 Ų127.874%0.73677%0.767SS**  cis-168.9-176.3-2700000107.4
160N39.1Very low37.3Very low138 Ų138126.3 Ų126.374%0.73875%0.75SS**  trans64.8116-167.3-72.6-14.1000113.7
161Q41.5Very low36.9Very low152 Ų152126.1 Ų126.171%0.7175%0.754SS**  75.2130.951.7-63.8-171113.500113.1
162Q40.6Very low36.8Very low141 Ų141123.6 Ų123.666%0.65976%0.757SS**  cis-166.6155.2-8.5-120.8177.42100109.4
163H36.9Very low36.8Very low177 Ų177123.8 Ų123.882%0.81975%0.754SS**  trans41.9146.8160.8-59.9-74.1000121.2
164G36.1Very low36.6Very low58 Ų58126.1 Ų126.160%0.59875%0.751SS**  cis170.6177.1-2.600000112.3
165T40.8Very low36.5Very low143 Ų143125.1 Ų125.188%0.87774%0.738SS**  trans61.6132.116548.80000121.7
166P38.8Very low36.3Very low120 Ų120127.4 Ų127.478%0.77974%0.741SS**  trans-99.7-165.1161.844.5-36.7000110.2
167P40.9Very low36Very low124 Ų124126 Ų12681%0.80573%0.734SS**  cis-130-172.1-6.143.6-27.5000114.4
168G32.6Very low36.2Very low78 Ų78129.6 Ų129.680%0.80474%0.736SS**  trans75-174.8173.500000113.5
169N28.1Very low36.3Very low149 Ų149123.1 Ų123.180%0.79773%0.727SS**  cis-155.8167.1-19.4-172.123.1000107.9
170S32.7Very low36.3Very low71 Ų71123 Ų12350%0.49773%0.727SS.*  trans39.9120.9148.361.90000121.1
171N29.9Very low36.2Very low149 Ų149121.4 Ų121.480%0.79773%0.733SS**  trans68.2155.1135.7-59.5-10.4000120.5
172S34.6Very low36.2Very low111 Ų111118 Ų11878%0.77673%0.731SS**  trans67.9155.3146.569.90000117.8
173S34.3Very low36.5Very low89 Ų89117 Ų11762%0.62273%0.734SS**  cis-175149.1-29.553.30000105.9
174N31.8Very low36.7Very low154 Ų154115.4 Ų115.482%0.82473%0.727SS**  trans62.7166.6161.7-69.9-10.4000114.4
175S34.4Very low37Very low77 Ų77120.7 Ų120.754%0.53874%0.736SS.*  cis-166.4168.7-29.453.40000107.3
176N34.1Very low37Very low122 Ų122122.2 Ų122.265%0.65273%0.733SS**  trans67.1157.7156.3-57.8-11.2000115.5
177H35.5Very low36.7Very low161 Ų161122.7 Ų122.775%0.74573%0.729SS**  cis-149.1176.9-28.1-95.5-34.8000103.7
178K40.7Very low36.2Very low179 Ų179121.4 Ų121.478%0.77872%0.723SS**  cis-174.3157.438.2-161-173.7178-173.90108.9
179S40.5Very low36Very low103 Ų103122.5 Ų122.572%0.7272%0.718SS**  trans54.1136151.147.60000119.7
180A38.9Very low36.3Very low88 Ų88124 Ų12473%0.72772%0.721SS**  cis-155.4147.1-4.500000107.3
181A37.5Very low36.3Very low104 Ų104126 Ų12686%0.8673%0.734SS**  49.9141.488.500000114.2
182A41.4Very low36.5Very low81 Ų81125.3 Ų125.367%0.66973%0.73SS**  cis-142.4149.812.100000109.1
183V45.3Very low36.5Very low120 Ų120125.7 Ų125.773%0.72773%0.729SS**  37.9144.786.4-57.30000115.9
184E41.5Very low36.5Very low143 Ų143126.7 Ų126.767%0.66873%0.731SS**  cis-138.5171.324.4-74.1-65.7172.800114.4
185E42.5Very low36.7Very low169 Ų169124.7 Ų124.779%0.7972%0.724SS**  trans46.5163.4138.2-70.1173.316400122.7
186E40.9Very low36.9Very low175 Ų175130.2 Ų130.282%0.81874%0.739SS**  cis-138.6-159.6-3.9-140.7-144.8135.900112.3
187N32Very low37.3Very low130 Ų130129 Ų12970%0.69575%0.745SS**  trans-111.1160.8-162.8-172.418.7000114.4
188S30.3Very low37.4Very low96 Ų96127.3 Ų127.367%0.67175%0.752SS**  trans67149.8170.310.10000117.1
189S30.3Very low37.2Very low102 Ų102125.9 Ų125.971%0.71375%0.752SS**  cis-165.8167.2-11.145.90000112.1
190E32.8Very low36.9Very low181 Ų181125.1 Ų125.185%0.84675%0.751SS**  trans65.2109160.6-60.3-165.9139.700121.2
191S33.3Very low36.9Very low111 Ų111129.2 Ų129.278%0.77675%0.753SS**  137.8142.9108.573.40000119.2
192N34.1Very low37.3Very low135 Ų135131.2 Ų131.272%0.72276%0.755SS**  trans55.590.3145.5-71.3-23.9000125.4
193T33.4Very low37.4Very low120 Ų120134 Ų13474%0.73676%0.757SS**  68158.2118.776.30000124
194T35.8Very low37.2Very low109 Ų109135.8 Ų135.867%0.66976%0.762SS**  trans91.378.2144.5-51.60000120.5
195T35.6Very low37.2Very low112 Ų112135.1 Ų135.169%0.68776%0.759SS**  trans75.8140.3138.571.60000122.6
196K38.3Very low36.9Very low194 Ų194135.9 Ų135.984%0.84376%0.76SS**  trans70.1104.6155.5-64.4157.1-174.7167.10118.9
197A41.8Very low36.8Very low95 Ų95134.7 Ų134.779%0.78576%0.76SS**  trans54.5107.4132.600000120.1
198S38.6Very low37Very low126 Ų126132.2 Ų132.288%0.88176%0.757SS**  -160.5178.6123-850000110.5
199L36.6Very low37.9Very low150 Ų150131.7 Ų131.779%0.78575%0.754SS**  trans-98.8126.4-178-6185.3000111.3F201L199-F201 HydrophobicContact CB-CE1 4.44Å; L199-F201 HydrophobicContact CB-CZ 4.33Å
200A34.9Very low39Very low86 Ų86135.4 Ų135.471%0.71176%0.76SS**  trans-156.7115.614800000107.4
201F37.8Very low39.8Very low175 Ų175134.2 Ų134.277%0.76876%0.759SS**  67.474.579.3-41.2-36.3000113.8L199L199-F201 HydrophobicContact CB-CE1 4.44Å; L199-F201 HydrophobicContact CB-CZ 4.33Å
202T45.2Very low41Very low145 Ų145132.2 Ų132.289%0.8974%0.74SS**  trans-120.3136.7144.346.90000107.9
203I45Very low43Very low141 Ų141129.6 Ų129.672%0.72373%0.732SS**  trans-129.595.8-179.2-58.8176000107.2
204D40.8Very low45.1Very low156 Ų156127.6 Ų127.683%0.83473%0.727SS**  trans-159.2137.4166.4-104.1-48.7000108.5
205H41.4Very low47.2Very low129 Ų129124.3 Ų124.360%0.59771%0.711SS**  cis-169.7106-39.4-118.5-85.9000102
206F35.7Very low49.3Very low185 Ų185125.1 Ų125.181%0.81171%0.707SS**  trans39.4101.3162.9-54.2-91.4000120.4
207D39.5Very low51.6Low151 Ų151118.7 Ų118.781%0.80769%0.69SS**  -146.696.1114.7-155.6-19.6000110.1
208A36.7Very low53.7Low78 Ų78116.9 Ų116.965%0.64568%0.676SS**  trans-12254.9-169.100000111.4
209S47.8Very low56Low85 Ų85119.5 Ų119.559%0.59467%0.666SS**  trans-78.2131.6179.138.20000112.6N211S209-N211 VanDerWaalsContact C-N 3.29Å; S209-N211 PolarHBondContact O-N 2.85Å
210E53.4Low58.6Low180 Ų180119.4 Ų119.484%0.84166%0.656SS**SBendtrans53.4-50.8174-58.9-162.2109.900119.5D212 S213E210-D212 PolarHBondContact O-N 3.08Å; E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.14Å
211N49.1Very low61.3Low155 Ų155122.4 Ų122.483%0.82965%0.653SS**THydrogen-bonded Turntrans-69.8-23.1-169.3-84.8-63.5000115S209 S213S209-N211 VanDerWaalsContact C-N 3.29Å; S209-N211 PolarHBondContact O-N 2.85Å; N211-S213 PolarHBondContact O-N 3.17Å
212D59.7Low63.8Low70 Ų70117.7 Ų117.737%0.37464%0.636SS.*THydrogen-bonded Turntrans-73.6-12.5175.1-162.152.7000112.5E210 A214 A215 Q216E210-D212 PolarHBondContact O-N 3.08Å; D212-A214 VanDerWaalsContact C-N 3.28Å; D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 VanDerWaalsContact O-N 3.16Å; D212-A215 CarbonylContact O-C 3.37Å; D212-A215 WeakPolarHBondContact O-CA 3.45Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 WeakPolarHBondContact OD1-CB 3.28Å; D212-Q216 WeakPolarHBondContact O-CB 3.43Å; D212-Q216 PolarHBondContact O-N 3.05Å
213S76.1Confident66Low80 Ų80116.7 Ų116.756%0.55962%0.623SS**Hα-helixtrans-52.2-42-178.6179.50000113.3E210 N211 A217E210-S213 WeakPolarHBondContact O-CB 3.18Å; E210-S213 PolarHBondContact O-N 3.47Å; E210-S213 VanDerWaalsContact O-N 3.14Å; N211-S213 PolarHBondContact O-N 3.17Å; S213-A217 WeakPolarHBondContact O-CB 3.31Å; S213-A217 PolarHBondContact O-N 2.87Å
214A78.1Confident68.2Low77 Ų77113.4 Ų113.464%0.63661%0.605SS**Hα-helixtrans-68-36.4176.900000113D212 A218D212-A214 VanDerWaalsContact C-N 3.28Å; D212-A214 PolarHBondContact O-N 3.27Å; D212-A214 VanDerWaalsContact O-N 3.16Å; A214-A218 WeakPolarHBondContact O-CB 2.95Å; A214-A218 PolarHBondContact O-N 3.18Å
215A79Confident70.6Confident41 Ų41110.8 Ų110.834%0.33959%0.588SS.*Hα-helixtrans-77.6-36.217800000111.9D212 A218 R219D212-A215 CarbonylContact O-C 3.37Å; D212-A215 WeakPolarHBondContact O-CA 3.45Å; D212-A215 PolarHBondContact O-N 3.37Å; D212-A215 WeakPolarHBondContact OD1-CB 3.28Å; A215-A218 PolarHBondContact O-N 3.25Å; A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.29Å; A215-R219 WeakPolarHBondContact O-CG 3.09Å; A215-R219 PolarHBondContact O-N 2.88Å
216Q80.6Confident72.8Confident129 Ų129112.9 Ų112.960%0.60359%0.591SS**Hα-helixtrans-64.9-43.1172-160.1-179.446.100110.7D212 A218 R219 Y220D212-Q216 WeakPolarHBondContact O-CB 3.43Å; D212-Q216 PolarHBondContact O-N 3.05Å; Q216-A218 PolarHBondContact O-N 3.4Å; Q216-R219 PolarHBondContact O-N 3.32Å; Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 2.65Å
217A86.3Confident75.3Confident58 Ų58109.5 Ų109.548%0.47958%0.576SS.*Hα-helixtrans-62.4-39.7170.900000112.4S213 K221S213-A217 WeakPolarHBondContact O-CB 3.31Å; S213-A217 PolarHBondContact O-N 2.87Å; A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 2.98Å
218A86.4Confident77.7Confident58 Ų58106.9 Ų106.948%0.47956%0.559SS.*Hα-helixtrans-66.7-40.9174.600000112.6A214 A215 Q216 K221 N222A214-A218 WeakPolarHBondContact O-CB 2.95Å; A214-A218 PolarHBondContact O-N 3.18Å; A215-A218 PolarHBondContact O-N 3.25Å; Q216-A218 PolarHBondContact O-N 3.4Å; A218-K221 PolarHBondContact O-N 3.45Å; A218-N222 WeakPolarHBondContact O-CB 3.18Å; A218-N222 PolarHBondContact O-N 3.41Å
219R85.8Confident80Confident181 Ų181106.4 Ų106.468%0.68355%0.545SS*.Hα-helixtrans-62.3-47.9173.4-76.2174177-161.11.3111A215 Q216 N222 M223A215-R219 WeakPolarHBondContact O-CB 3.48Å; A215-R219 VanDerWaalsContact O-CG 3.29Å; A215-R219 WeakPolarHBondContact O-CG 3.09Å; A215-R219 PolarHBondContact O-N 2.88Å; Q216-R219 PolarHBondContact O-N 3.32Å; R219-N222 PolarHBondContact O-N 2.93Å; R219-M223 WeakPolarHBondContact O-CB 3.33Å; R219-M223 PolarHBondContact O-N 3.08Å
220Y91.2Very high81.7Confident148 Ų148111.3 Ų111.358%0.5855%0.551SS**Hα-helixtrans-61.5-44.3176.3-176.2-99.2000111.8Q216 N222 M223 M224Q216-Y220 WeakPolarHBondContact O-CB 3.21Å; Q216-Y220 PolarHBondContact O-N 2.65Å; Y220-N222 PolarHBondContact O-N 3.25Å; Y220-M223 WeakPolarHBondContact O-CB 3.3Å; Y220-M223 PolarHBondContact O-N 2.95Å; Y220-M224 HydrophobicContact CD1-CG 4.18Å; Y220-M224 HydrophobicContact CE1-CG 3.76Å; Y220-M224 HydrophobicContact CE2-CG 4.27Å; Y220-M224 WeakPolarHBondContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CG 2.75Å; Y220-M224 PolarHBondContact O-N 3.15Å
221K91.8Very high83.1Confident148 Ų148108.6 Ų108.664%0.64354%0.538SS*.Hα-helixtrans-59.5-45.3174.1-177.6177.4178.51790111.9A217 A218 M224 E225A217-K221 WeakPolarHBondContact O-CB 3.49Å; A217-K221 PolarHBondContact O-N 2.98Å; A218-K221 PolarHBondContact O-N 3.45Å; K221-M224 PolarHBondContact O-N 3.2Å; K221-E225 VanDerWaalsContact O-CB 3.29Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 PolarHBondContact O-N 2.88Å
222N90.5Very high84.5Confident76 Ų76108.4 Ų108.441%0.40653%0.53SS..Hα-helixtrans-67.6-36.2177.7-154.2-89.7000111.8A218 R219 Y220 R226A218-N222 WeakPolarHBondContact O-CB 3.18Å; A218-N222 PolarHBondContact O-N 3.41Å; R219-N222 PolarHBondContact O-N 2.93Å; Y220-N222 PolarHBondContact O-N 3.25Å; N222-R226 VanDerWaalsContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CB 3.1Å; N222-R226 WeakPolarHBondContact O-CG 3.25Å; N222-R226 PolarHBondContact O-N 3.27Å; N222-R226 PolarHBondContact OD1-NE 3.12Å
223M90.7Very high85.1Confident124 Ų124114.7 Ų114.761%0.61155%0.548SS*.Hα-helixtrans-62.8-48.5173.4-172.2-168.7-64.600111.4R219 Y220 R226 F227R219-M223 WeakPolarHBondContact O-CB 3.33Å; R219-M223 PolarHBondContact O-N 3.08Å; Y220-M223 WeakPolarHBondContact O-CB 3.3Å; Y220-M223 PolarHBondContact O-N 2.95Å; M223-R226 PolarHBondContact O-N 3.12Å; M223-F227 WeakPolarHBondContact O-CB 3.5Å; M223-F227 PolarHBondContact O-N 3.04Å
224M92.6Very high84.5Confident73 Ų73112 Ų11236%0.3653%0.533SS..Hα-helixtrans-66.7-35.6177.6-75.2-61-69.700112.7Y220 K221 F227 Q228Y220-M224 HydrophobicContact CD1-CG 4.18Å; Y220-M224 HydrophobicContact CE1-CG 3.76Å; Y220-M224 HydrophobicContact CE2-CG 4.27Å; Y220-M224 WeakPolarHBondContact O-CB 3.31Å; Y220-M224 WeakPolarHBondContact O-CG 2.75Å; Y220-M224 PolarHBondContact O-N 3.15Å; K221-M224 PolarHBondContact O-N 3.2Å; M224-F227 PolarHBondContact O-N 2.73Å; M224-Q228 WeakPolarHBondContact O-CB 3.05Å; M224-Q228 WeakPolarHBondContact O-CG 3.5Å; M224-Q228 PolarHBondContact O-N 3.23Å
225E90.2Very high83.5Confident100 Ų100112 Ų11247%0.46753%0.533SS..Hα-helixtrans-67.6-42.8172.5179.3169.9-167.800111.6K221 F227 Q228 N229K221-E225 VanDerWaalsContact O-CB 3.29Å; K221-E225 WeakPolarHBondContact O-CB 3.45Å; K221-E225 PolarHBondContact O-N 2.88Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3.33Å; E225-Q228 PolarHBondContact O-N 3Å; E225-N229 WeakPolarHBondContact CG-ND2 3.02Å; E225-N229 VanDerWaalsContact O-CB 3.23Å; E225-N229 WeakPolarHBondContact O-CB 3.41Å; E225-N229 PolarHBondContact O-N 2.85Å; E225-N229 PolarHBondContact O-ND2 2.17Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å
226R88.1Confident82.1Confident174 Ų174114.8 Ų114.866%0.65755%0.55SS**Hα-helixtrans-61.1-41.1172-76.2171.7179.6-128.3-2.6111.5N222 M223 R230N222-R226 VanDerWaalsContact O-CB 3.31Å; N222-R226 WeakPolarHBondContact O-CB 3.1Å; N222-R226 WeakPolarHBondContact O-CG 3.25Å; N222-R226 PolarHBondContact O-N 3.27Å; N222-R226 PolarHBondContact OD1-NE 3.12Å; M223-R226 PolarHBondContact O-N 3.12Å; R226-R230 VanDerWaalsContact O-CB 3.26Å; R226-R230 WeakPolarHBondContact O-CB 3.3Å; R226-R230 PolarHBondContact O-N 2.89Å
227F88.7Confident80.5Confident114 Ų114116 Ų11650%0.556%0.557SS.*Hα-helixtrans-64.5-50.2176-174.3-93.1000111.4M223 M224 E225 N229 R230 H231M223-F227 WeakPolarHBondContact O-CB 3.5Å; M223-F227 PolarHBondContact O-N 3.04Å; M224-F227 PolarHBondContact O-N 2.73Å; E225-F227 VanDerWaalsContact C-N 3.33Å; E225-F227 PolarHBondContact O-N 3.33Å; F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.3Å; F227-R230 CarbonylContact O-C 3.58Å; F227-R230 PolarHBondContact O-N 3.01Å; F227-H231 WeakPolarHBondContact O-CB 3.42Å; F227-H231 PolarHBondContact O-N 2.84Å
228Q88.7Confident78.7Confident96 Ų96118.2 Ų118.245%0.44957%0.57SS.*Hα-helixtrans-61.3-40.2176-78.1-169.658.200112.8M224 E225 H231 K232M224-Q228 WeakPolarHBondContact O-CB 3.05Å; M224-Q228 WeakPolarHBondContact O-CG 3.5Å; M224-Q228 PolarHBondContact O-N 3.23Å; E225-Q228 PolarHBondContact O-N 3Å; Q228-H231 PolarHBondContact O-N 3.2Å; Q228-K232 WeakPolarHBondContact O-CB 3.28Å; Q228-K232 VanDerWaalsContact O-CG 3.29Å; Q228-K232 WeakPolarHBondContact O-CG 3.33Å; Q228-K232 PolarHBondContact O-N 2.99Å
229N84.7Confident76.8Confident68 Ų68123.3 Ų123.336%0.36458%0.581SS.*Hα-helixtrans-70-34.5176.9-78.1-38.8000111.9E225 F227 R233E225-N229 WeakPolarHBondContact CG-ND2 3.02Å; E225-N229 VanDerWaalsContact O-CB 3.23Å; E225-N229 WeakPolarHBondContact O-CB 3.41Å; E225-N229 PolarHBondContact O-N 2.85Å; E225-N229 PolarHBondContact O-ND2 2.17Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å; F227-N229 VanDerWaalsContact C-N 3.35Å; F227-N229 PolarHBondContact O-N 3.3Å; N229-R233 WeakPolarHBondContact O-CB 3.37Å; N229-R233 WeakPolarHBondContact O-CD 2.57Å; N229-R233 WeakPolarHBondContact O-CG 3.48Å; N229-R233 PolarHBondContact O-N 2.56Å; N229-R233 VanDerWaalsContact O-N 3.14Å
230R84.3Confident75.1Confident187 Ų187122.7 Ų122.771%0.70659%0.59SS**Hα-helixtrans-66.5-41.1169.5-175.2-177.2-71153.1-5.3111.1R226 F227 R233 G234R226-R230 VanDerWaalsContact O-CB 3.26Å; R226-R230 WeakPolarHBondContact O-CB 3.3Å; R226-R230 PolarHBondContact O-N 2.89Å; F227-R230 CarbonylContact O-C 3.58Å; F227-R230 PolarHBondContact O-N 3.01Å; R230-R233 CarbonylContact O-C 3.52Å; R230-R233 PolarHBondContact O-N 3.05Å; R230-G234 VanDerWaalsContact O-CA 3.31Å; R230-G234 WeakPolarHBondContact O-CA 3.31Å; R230-G234 PolarHBondContact O-N 3.39Å
231H81.6Confident73Confident123 Ų123122.8 Ų122.857%0.56960%0.596SS**Hα-helixtrans-71.5-41.6-179.4-15441.2000111.6F227 Q228 R233 G234 A235F227-H231 WeakPolarHBondContact O-CB 3.42Å; F227-H231 PolarHBondContact O-N 2.84Å; Q228-H231 PolarHBondContact O-N 3.2Å; H231-R233 PolarHBondContact O-N 3.43Å; H231-G234 PolarHBondContact O-N 3.29Å; H231-G234 VanDerWaalsContact O-N 3.15Å; H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 3.11Å
232K79.4Confident70.6Confident152 Ų152122.2 Ų122.266%0.66161%0.605SS**Hα-helixtrans-63.4-25.4171.9-72.9170.2-178.5168.10113.6Q228Q228-K232 WeakPolarHBondContact O-CB 3.28Å; Q228-K232 VanDerWaalsContact O-CG 3.29Å; Q228-K232 WeakPolarHBondContact O-CG 3.33Å; Q228-K232 PolarHBondContact O-N 2.99Å
233R72Confident68.7Low202 Ų202127.8 Ų127.876%0.76263%0.629SS**Hα-helixtrans-95.4-14.1173.7-67.1173.6-175.6-130.53.2114N229 R230 H231 S236N229-R233 WeakPolarHBondContact O-CB 3.37Å; N229-R233 WeakPolarHBondContact O-CD 2.57Å; N229-R233 WeakPolarHBondContact O-CG 3.48Å; N229-R233 PolarHBondContact O-N 2.56Å; N229-R233 VanDerWaalsContact O-N 3.14Å; R230-R233 CarbonylContact O-C 3.52Å; R230-R233 PolarHBondContact O-N 3.05Å; H231-R233 PolarHBondContact O-N 3.43Å; R233-S236 PolarHBondContact O-OG 3.26Å
234G63.5Low66.6Low24 Ų24129.7 Ų129.725%0.24763%0.634CS.*Hα-helixtrans-114.3-14.7-170.700000114.4R230 H231 S236 M237 S238R230-G234 VanDerWaalsContact O-CA 3.31Å; R230-G234 WeakPolarHBondContact O-CA 3.31Å; R230-G234 PolarHBondContact O-N 3.39Å; H231-G234 PolarHBondContact O-N 3.29Å; H231-G234 VanDerWaalsContact O-N 3.15Å; G234-S236 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact O-N 3.17Å; G234-M237 PolarHBondContact O-N 3.07Å; G234-S238 PolarHBondContact O-N 3.42Å
235A57.9Low64.1Low77 Ų77132 Ų13264%0.63665%0.648SS**THydrogen-bonded Turntrans-59.1-22.7168.600000112.3H231H231-A235 WeakPolarHBondContact O-CB 3.42Å; H231-A235 PolarHBondContact O-N 3.11Å
236S48.7Very low61.6Low99 Ų99134.1 Ų134.169%0.69266%0.662SS**THydrogen-bonded Turntrans-885.8171.449.60000114.8R233 G234R233-S236 PolarHBondContact O-OG 3.26Å; G234-S236 PolarHBondContact O-N 3.24Å; G234-S236 VanDerWaalsContact O-N 3.17Å
237M46.5Very low59.1Low153 Ų153131 Ų13175%0.75466%0.662SS**THydrogen-bonded Turntrans-121.5-7.8-179.8-73.9-63.7-55.400113.9G234 K239G234-M237 PolarHBondContact O-N 3.07Å; M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 2.74Å; M237-K239 VanDerWaalsContact O-N 3.09Å
238S48.9Very low56.8Low105 Ų105132.5 Ų132.573%0.73468%0.681SS**  trans-87.955.1-175.9-170.40000113.6G234G234-S238 PolarHBondContact O-N 3.42Å
239K46.8Very low54.4Low166 Ų166131.4 Ų131.472%0.72269%0.688SS**  trans-138.477.6163.9-99.7-165.9165.7-112.10109.9M237 E241M237-K239 VanDerWaalsContact C-N 3.29Å; M237-K239 PolarHBondContact O-N 2.74Å; M237-K239 VanDerWaalsContact O-N 3.09Å; K239-E241 IonicContact NZ-OE1 2.67Å; K239-E241 PolarHBondContact NZ-OE1 3.05Å
240L50.8Low52.1Low168 Ų168135.2 Ų135.288%0.8872%0.715SS**  trans-107.4110.6155.8-143.580.3000105.4
241E46.8Very low50.1Low149 Ų149130.6 Ų130.670%0.69671%0.711SS**  trans-81.7127.2-176.6-76.5165.7177.200109.3K239K239-E241 IonicContact NZ-OE1 2.67Å; K239-E241 PolarHBondContact NZ-OE1 3.05Å
242T41.9Very low48Very low137 Ų137132.2 Ų132.284%0.8472%0.723SS**  trans-101.386.8-178.4-540000108.6
243E50.9Low46.2Very low192 Ų192130.6 Ų130.690%0.89773%0.731SS**  trans-112.9120.7165.5-70.3-160.3149.600109.9
244K45.4Very low44.6Very low165 Ų165124.2 Ų124.272%0.71773%0.729SS**  trans-143.8135.9-179.1-151.6-172.6169.9-86.50107.9
245D41.3Very low43.2Very low121 Ų121134.5 Ų134.565%0.64776%0.76SS**  trans69.1123.3163.3-49.6-36.4000120
246N36.3Very low42.4Very low144 Ų144140 Ų14077%0.7777%0.773SS**  trans82.699.7139.8-88.47000124.6
247T36.6Very low41.8Very low108 Ų108140 Ų14066%0.66377%0.773SS**  52.3110.6116.960.50000121.1
248T40.5Very low41.3Very low147 Ų147140 Ų14090%0.90277%0.771SS**  178.5162.2117.225.70000108.9
249A37.7Very low40.5Very low72 Ų72144.8 Ų144.860%0.59577%0.773SS**  cis-172.8139.6-43.200000107.2
250T36.7Very low40Very low149 Ų149140.9 Ų140.991%0.91477%0.766SS**  trans62.5152168.158.40000116.9
251S41.7Very low39.2Very low89 Ų89137.6 Ų137.662%0.62276%0.758SS**  cis-154.2153.57.257.80000113.1
252N38.7Very low38.5Very low157 Ų157138 Ų13884%0.8476%0.764SS**  trans67.1144.8146.1-62.3-9.3000119.3
253S40.3Very low37.9Very low118 Ų118138.8 Ų138.883%0.82576%0.763SS**  cis-156.3164.8-4.5-166.70000111.4
254G38.3Very low37.1Very low69 Ų69134.2 Ų134.271%0.71176%0.758SS**  trans69.8105.3165.800000116.7
255R34.9Very low36.5Very low240 Ų240130 Ų13091%0.90676%0.761SS**  cis82.577.910.5-138-171.8-159.8-145.56.4117.2
256Q41Very low36.1Very low192 Ų192129.4 Ų129.490%0.89777%0.767SS**  trans-175.4125.8142.5-99.6160.822.300107.3
257S35.4Very low35.8Very low100 Ų100127 Ų12770%0.69976%0.761SS**  cis83.2136.216.8-158.30000116.1
258Q35.8Very low35.9Very low153 Ų153130.3 Ų130.372%0.71577%0.771SS**  trans76.6153.2176.5-44.7-159.39.200114.3
259R33.3Very low35.7Very low205 Ų205127 Ų12777%0.77476%0.758SS**  cis-162.31727.9-142.7166.5-158.4-110.32.9113.4
260S35.3Very low35.8Very low83 Ų83131 Ų13158%0.5877%0.77SS**  trans25121.6146.952.60000120
261S33.8Very low36Very low100 Ų100130.8 Ų130.870%0.69976%0.763SS**  87.8142.350.376.60000115.5
262L32.1Very low35.9Very low157 Ų157132.3 Ų132.382%0.82277%0.768SS**  trans77.9143162.8-62.1165.3000118.8
263D31Very low36Very low154 Ų154130.1 Ų130.182%0.82477%0.765SS**  trans73.4159147.6-99.8-55.6000124.3
264A32.3Very low36.2Very low95 Ų95129 Ų12979%0.78576%0.757SS**  trans-74.4158.8-176.700000113.2
265G32.9Very low36.6Very low77 Ų77133.2 Ų133.279%0.79476%0.763SS**  trans179.388.8178.200000115.2
266S32.6Very low36.9Very low109 Ų109127.7 Ų127.776%0.76276%0.756SS**  trans-35140.7167.350.50000119.9
267S31.9Very low36.8Very low92 Ų92122.6 Ų122.664%0.64375%0.747SS**  87.6141125.674.10000122.7
268M37.8Very low37.1Very low179 Ų179122.4 Ų122.488%0.88275%0.751SS**  trans59.4134.2162.5-40.4-43.3177.800116.8
269A36.8Very low37.2Very low77 Ų77121.6 Ų121.664%0.63676%0.757SS**  cis-141.8177.13.800000108.4
270D39.8Very low38.4Very low155 Ų155117.8 Ų117.883%0.82976%0.758SS**  cis-108.4-153.24.3-61.6-69.8000109.9
271D40Very low38.5Very low146 Ų146118.9 Ų118.978%0.78177%0.766SS**  cis-151.21807.4-168.414.6000110.6S273D271-S273 PolarHBondContact O-N 3.46Å
272V40.3Very low39Very low120 Ų120118.2 Ų118.273%0.72776%0.762SS**  trans-69.7123.1-166.7-69.10000116.2
273S41.4Very low39.6Very low112 Ų112118.4 Ų118.478%0.78376%0.758SS**  trans70140.2145.5-60.80000119.8D271D271-S273 PolarHBondContact O-N 3.46Å
274S44Very low40Very low93 Ų93118.4 Ų118.465%0.6575%0.753SS**  cis-172.8132.4-6.8500000112.9
275L47Very low40.6Very low159 Ų159118 Ų11883%0.83275%0.75SS**  trans60.1164.2153-79.581.8000119.1
276T41Very low41.3Very low123 Ų123120.3 Ų120.376%0.75575%0.751SS**  cis-172.2162.5-39310000107.1
277A38.3Very low42.4Very low86 Ų86120 Ų12071%0.71175%0.747SS**  cis-178.7161.6-29.700000109.4
278A40.9Very low42.9Very low95 Ų95121.4 Ų121.479%0.78575%0.751SS**  trans65.8155.7168.700000117.6
279T39.4Very low43Very low137 Ų137120.7 Ų120.784%0.8475%0.745SS**  cis-158.1165.9-12.612.60000110.2
280P57.3Low43Very low124 Ų124122.7 Ų122.781%0.80575%0.749SS**  trans-115.4172-167.642.4-34.4000117
281S37.3Very low42.8Very low106 Ų106123.7 Ų123.774%0.74175%0.746SS**  trans-164.6151.2156.8-167.70000114.2
282S44.1Very low42.7Very low87 Ų87123.9 Ų123.961%0.60875%0.745SS**  trans33.5136.3147.258.40000121.2
283E44.7Very low42.6Very low161 Ų161128 Ų12875%0.75275%0.747SS**  cis-168.6-153.4-1.4-128.2161.190.800108.3
284Q41.1Very low42.5Very low154 Ų154129.7 Ų129.772%0.7275%0.752SS**  cis-158132.54.7-134.5148.250.200107.7
285A43.5Very low42.4Very low87 Ų87133.3 Ų133.372%0.71975%0.752SS**  96.3148.1101.700000116.8
286P49.1Very low42.1Very low124 Ų124133.4 Ų133.481%0.80575%0.753SS**  -132.1-123.9-123.132.5-6.8000118.9
287P55Low42Very low104 Ų104136.4 Ų136.468%0.67575%0.75SS**  -128.8-147.5-102.741-22000116.6
288V42.8Very low42.4Very low120 Ų120138 Ų13873%0.72776%0.757SS**  trans73.4148169.7-660000118.6
289Q39.3Very low42.2Very low164 Ų164138.3 Ų138.377%0.76676%0.759SS**  cis-155.7136.82-127.2163.668.300114.8
290V36.1Very low42.2Very low119 Ų119136.7 Ų136.772%0.72175%0.753SS**  trans55.9106131.8175.90000122.8
291K35.9Very low41.6Very low176 Ų176142 Ų14277%0.76576%0.757SS**  58.2118.6119.3-160.3-174.9-175.3178.20120.6
292M39.5Very low41.5Very low151 Ų151143.9 Ų143.974%0.74476%0.764SS**  -172.3168.5107.9-99.9-62.8-97.200113.8
293R37.1Very low41.2Very low206 Ų206151 Ų15178%0.77778%0.777SS**  trans-78.8160.7175.4-52.5177.6-177.696.2-3.9109.2
294V39Very low40.9Very low148 Ų148151.1 Ų151.190%0.89778%0.783SS**  -152.6166.368.1161.50000111.4
295R41.5Very low40.5Very low169 Ų169147.3 Ų147.364%0.63878%0.778SS**  trans-108.5147.7-173.9148.2-165.4176.792.2-17.8110.1
296D40.5Very low40.1Very low160 Ų160147.7 Ų147.786%0.85678%0.775SS**  trans-134.7166.4153.3-127.5-46.6000113.6
297R40Very low39.8Very low187 Ų187150.5 Ų150.571%0.70678%0.775SS**  trans-146.2116.8-178.2-109-163.5-176171.2-0.1112.5
298S45.5Very low39Very low120 Ų120156.1 Ų156.184%0.83978%0.783SS**  trans-154.7118.1147.2-80.40000107.1
299A38.4Very low39Very low100 Ų100158.5 Ų158.583%0.82679%0.785SS**  74.19450.800000113.6
300S38.3Very low39Very low103 Ų103155.6 Ų155.672%0.7278%0.783SS**  trans-163.7131.4147.1-153.70000113.6
301R44.4Very low38.9Very low235 Ų235162.6 Ų162.689%0.88780%0.797SS**  trans45.598.9146.6-65.5170.2-176.1158.64.9119.9
302V36.1Very low38.7Very low146 Ų146158 Ų15889%0.88579%0.787SS**  trans-62.8134.7142.1172.70000109.8
303R38Very low38.4Very low238 Ų238157.2 Ų157.290%0.89879%0.793SS**  trans-168.9110.6151.2-113.1-175.6-167.6165.25111
304D38.8Very low38.3Very low162 Ų162158.1 Ų158.187%0.86680%0.796SS**  trans-158.5171.9156.9-166.420.7000110.7
305A32.1Very low38Very low75 Ų75155.9 Ų155.962%0.6279%0.787SS**  trans74.182.715500000119.4
306S34.2Very low37.6Very low94 Ų94152.5 Ų152.566%0.65779%0.789SS**  69.6129.7116.1-100.80000123.1
307K44.4Very low37.3Very low184 Ų184149.5 Ų149.580%0.879%0.787SS**  trans69.592.5137.5-62.2162.4-171.91680119.2
308R36.4Very low37Very low222 Ų222145.7 Ų145.784%0.83878%0.78SS**  trans169.7134133-92.6155.3-168.1-88.65.7108.2
309H42.7Very low36.6Very low170 Ų170144.7 Ų144.779%0.78778%0.78SS**  cis-129.3163.57.6-64.394.1000111.2
310S40.3Very low36.6Very low103 Ų103145.1 Ų145.172%0.7277%0.772SS**  trans-119.5120-167.854.90000114.2
311W33Very low36.7Very low266 Ų266147.7 Ų147.7100%1.00877%0.773SS**  trans-109.8118.2146.9-85.75.1000107.5
312S32.2Very low36.4Very low80 Ų80140.5 Ų140.556%0.55976%0.764SS**  trans-144.4116.9-172-179.20000110.2R314S312-R314 PolarHBondContact O-N 3.5Å; S312-R314 WeakPolarHBondContact OG-CG 3.46Å
313P34.3Very low36.7Very low134 Ų134140.6 Ų140.687%0.8776%0.764SS**  trans-71.487.9157.5-1.719.5000106.8S315P313-S315 PolarHBondContact O-N 3.28Å
314R34.3Very low36.8Very low225 Ų225133.3 Ų133.385%0.84976%0.755SS**  trans-68.1116.1177.8-68.2-169.878.6-146.54.6109.4S312S312-R314 PolarHBondContact O-N 3.5Å; S312-R314 WeakPolarHBondContact OG-CG 3.46Å
315S32.7Very low37Very low100 Ų100129.9 Ų129.970%0.69975%0.749SS**  trans-64.8144.7165.850.40000111.2P313P313-S315 PolarHBondContact O-N 3.28Å
316S33.9Very low37.7Very low98 Ų98131.8 Ų131.869%0.68576%0.755SS**  trans50.1118.5154.5600000119.4
317A33.1Very low38.1Very low97 Ų97132 Ų13280%0.80276%0.762SS**  trans-139.9129.6154.600000109.1
318N34.5Very low38.1Very low107 Ų107128.2 Ų128.257%0.57276%0.757SS**  trans-166.991.6170.9-144.883.1000111.3K985N318-K985 PolarHBondContact ND2-O 2.86Å
319A36.2Very low38.4Very low100 Ų100128.9 Ų128.983%0.82676%0.759SS**  trans-160.6140.4172.600000112.7
320T39.5Very low38.6Very low108 Ų108126.2 Ų126.266%0.66376%0.757SS**  trans-153175.7172.360.20000107.7
321E40.2Very low38.8Very low158 Ų158125.4 Ų125.474%0.73876%0.756SS**  cis-149.5130.56-128.3140.9110.600105.7
322A38.2Very low39.4Very low84 Ų84118 Ų11869%0.69475%0.745SS**  77.2173.292.100000115.4
323V41Very low40Very low148 Ų148124.7 Ų124.790%0.89776%0.758SS**  trans77.5130.7-174.3-172.10000113.2
324A41.4Very low40.3Very low84 Ų84123.5 Ų123.569%0.69475%0.753SS**  cis-151.9141-3.200000109.4
325A42Very low40.6Very low91 Ų91121.3 Ų121.375%0.75275%0.75SS**  80.5159.583.300000115.5
326P46.3Very low40.9Very low115 Ų115124 Ų12475%0.74776%0.756SS**  cis-144.3145.7-26.932.6-11.1000118.9
327A42.7Very low41.2Very low97 Ų97124.6 Ų124.680%0.80276%0.757SS**  trans63.9-178.8141.900000120.1
328P44.8Very low41.8Very low106 Ų106125.1 Ų125.169%0.68875%0.752SS**  cis-142145.5-4.739.7-19.3000120
329R42.2Very low42.5Very low235 Ų235125.9 Ų125.989%0.88776%0.763SS**  trans66.8171.3133.4-74.3178.7-179.7-108.2-1.8121.9
330P48.1Very low42.8Very low115 Ų115126.8 Ų126.875%0.74776%0.76SS**  cis-140.6-166.9-35.338.9-20000115.9
331A44.4Very low42.5Very low85 Ų85126 Ų12670%0.70277%0.765SS**  trans96104.5157.700000117.2
332S44.7Very low42.2Very low110 Ų110122.8 Ų122.877%0.76977%0.765SS**  92.1148.970.7840000112.8
333R44.8Very low42.2Very low222 Ų222124.4 Ų124.484%0.83877%0.767SS**  cis-165.6128.321.6-164.3-177.9-173.4-173.33.3113.5
334S42.5Very low41.8Very low109 Ų109127 Ų12776%0.76277%0.765SS**  trans63.9167.4154.573.80000118.5
335K38.7Very low41.5Very low179 Ų179125.9 Ų125.978%0.77876%0.762SS**  cis-158.2108.312.5-163.1177.4178.3-1740115.3
336L40Very low41.4Very low157 Ų157128.5 Ų128.582%0.82277%0.77SS**  trans59.6165.8140.9-66.6167.1000122.6
337P40.1Very low41.1Very low109 Ų109127.5 Ų127.571%0.70877%0.765SS**  trans-117.8-144.9-165.646.9-33.1000111.2
338P45.2Very low40.6Very low109 Ų109129.3 Ų129.371%0.70876%0.761SS**  cis-124.1-168.3-21.643.7-26.4000112
339P50.3Low40.4Very low123 Ų123131.1 Ų131.180%0.79976%0.762SS**  trans-93.6154-173.236.9-33.6000114.9
340P41.8Very low39.8Very low119 Ų119125.6 Ų125.677%0.77376%0.755SS**  trans-147.3175.8137.740-25.1000115
341A33.7Very low39.4Very low91 Ų91124.9 Ų124.975%0.75276%0.758SS**  trans55.9113.216200000118.1
342A34.5Very low38.7Very low90 Ų90126.6 Ų126.674%0.74476%0.756SS**  60.9113.957.800000115.1
343T36.6Very low38.5Very low119 Ų119131.1 Ų131.173%0.7376%0.756SS**  trans-175148.6131.117.60000112.5
344K34Very low38.2Very low201 Ų201127.2 Ų127.287%0.87476%0.757SS**  trans54.5130.1148.9-58155.4-168.8167.80118.2
345G33.6Very low38Very low61 Ų61125.9 Ų125.963%0.62975%0.752SS**  cis159.4-170.21.400000111.7
346T40.9Very low38.1Very low147 Ų147125.1 Ų125.190%0.90276%0.757SS**  trans63.3136.9171.359.80000117.5
347S39.4Very low37.8Very low94 Ų94126.1 Ų126.166%0.65776%0.757SS**  cis-166.9155.4-12.351.70000111.5
348N33.3Very low37.6Very low135 Ų135129.8 Ų129.872%0.72276%0.762SS**  27.1141.7126.9-52.2-4.3000119
349M38.6Very low37.6Very low143 Ų143130.8 Ų130.870%0.70477%0.767SS**  cis-143.2149.121.6-60.3-9040.800108.9
350V31.2Very low37.2Very low120 Ų120129 Ų12973%0.72776%0.755SS**  43.792.477.9-169.80000115.3
351A39.1Very low37.1Very low100 Ų100135.3 Ų135.383%0.82676%0.764SS**  trans-161.2159136.700000110.1
352N30.2Very low37.2Very low121 Ų121135.3 Ų135.365%0.64776%0.758SS**  cis169.5151.1-39.9-135.1-33.2000105.2
353R40.6Very low37.9Very low205 Ų205135.2 Ų135.277%0.77475%0.749SS**  trans73.9114.6158.4-59.6163.4-173.1-137.2-0.7117.5
354T37.6Very low38Very low139 Ų139133.6 Ų133.685%0.85375%0.747SS**  83.3140.810358.50000114.8
355A39.1Very low38.7Very low81 Ų81130 Ų13067%0.66974%0.735SS**  cis-158.8167-11.800000106.3
356N39.8Very low39.7Very low163 Ų163131.9 Ų131.987%0.87273%0.727SS**  cis-146.4156.145.1-76.5-38.3000112.2
357Q35Very low40.2Very low178 Ų178130.4 Ų130.483%0.83271%0.713SS**  trans-93152.5167-61.3172.2-1.200110
358F35.3Very low40.4Very low186 Ų186128.4 Ų128.482%0.81670%0.702SS**  trans-145.783.9154.4-155.5-103.5000112.6P360F358-P360 HydrophobicContact CD1-CG 3.78Å; F358-P360 HydrophobicContact CD2-CG 4.22Å; F358-P360 HydrophobicContact CE1-CG 3.3Å; F358-P360 HydrophobicContact CE2-CG 3.79Å; F358-P360 HydrophobicContact CG-CG 4.23Å; F358-P360 HydrophobicContact CZ-CG 3.31Å
359T44.3Very low41.4Very low130 Ų130129.3 Ų129.380%0.79871%0.706SS**  trans-126.193.816246.80000109.4
360P41.5Very low41.8Very low87 Ų87131 Ų13157%0.56571%0.705SS**  trans-98.6106.3174.39.111.7000110.2F358 S362F358-P360 HydrophobicContact CD1-CG 3.78Å; F358-P360 HydrophobicContact CD2-CG 4.22Å; F358-P360 HydrophobicContact CE1-CG 3.3Å; F358-P360 HydrophobicContact CE2-CG 3.79Å; F358-P360 HydrophobicContact CG-CG 4.23Å; F358-P360 HydrophobicContact CZ-CG 3.31Å; P360-S362 PolarHBondContact O-N 2.88Å
361R39.9Very low42.3Very low251 Ų251130.6 Ų130.695%0.94770%0.695SS**  trans-88.291.8168.3172.8-172.1162.8154.4-4.3108.9
362S36.7Very low42.3Very low90 Ų90131 Ų13163%0.62969%0.687SS**  trans-158.3151.8163.180.10000113.9P360 A364P360-S362 PolarHBondContact O-N 2.88Å; S362-A364 VanDerWaalsContact C-N 3.25Å; S362-A364 PolarHBondContact O-N 3.15Å
363T49.4Very low42.5Very low89 Ų89132.6 Ų132.655%0.54669%0.691SS.*SBendtrans55.81.6138.5-40.70000121.1H39H39-T363 WeakPolarHBondContact NE2-CA 3.44Å; H39-T363 PolarHBondContact NE2-N 3.07Å; H39-T363 VanDerWaalsContact NE2-N 3.15Å; H39-T363 PolarHBondContact NE2-O 3.24Å
364A38.5Very low42.3Very low85 Ų85129.5 Ų129.570%0.70269%0.687SS**  trans-104.94.1163.500000115.2H39 S362H39-A364 VanDerWaalsContact NE2-C 3.32Å; H39-A364 WeakPolarHBondContact NE2-CA 3.18Å; H39-A364 PolarHBondContact NE2-N 3.36Å; S362-A364 VanDerWaalsContact C-N 3.25Å; S362-A364 PolarHBondContact O-N 3.15Å
365M49.5Very low42.6Very low125 Ų125130.4 Ų130.462%0.61669%0.685SS**  trans-73.60144.4-145.1167.8-88.100124.1H39 Q40H39-M365 WeakPolarHBondContact CA-O 3.42Å; H39-M365 VanDerWaalsContact CB-C 3.49Å; H39-M365 VanDerWaalsContact CB-O 3.25Å; H39-M365 WeakPolarHBondContact CB-O 3.36Å; H39-M365 PolarHBondContact CD2-O 3.24Å; H39-M365 VanDerWaalsContact ND1-CA 3.3Å; H39-M365 WeakPolarHBondContact ND1-CA 3.37Å; H39-M365 PolarHBondContact ND1-O 2.88Å; H39-M365 WeakPolarHBondContact NE2-CA 3.33Å; H39-M365 PolarHBondContact NE2-N 3.25Å; Q40-M365 HydrophobicContact CG-CB 3.97Å; Q40-M365 HydrophobicContact CG-CG 3.65Å; Q40-M365 HydrophobicContact CG-SD 4.11Å
366Q53.2Low42.5Very low100 Ų100132.3 Ų132.347%0.46769%0.692SS.*  0-12.70-74.886.5-3.500114.7A37 A38 H39A37-Q366 CarbonylContact C-O 3.18Å; A38-Q366 PolarHBondContact N-O 3.24Å; A38-Q366 CarbonylContact O-C 3.59Å; A38-Q366 WeakPolarHBondContact O-CA 3.43Å; H39-Q366 WeakPolarHBondContact CD2-CA 2.98Å; H39-Q366 PolarHBondContact CD2-N 3.36Å; H39-Q366 PolarHBondContact CE1-N 2.68Å; H39-Q366 PolarHBondContact CE1-OE1 3.15Å; H39-Q366 WeakPolarHBondContact ND1-CA 3.41Å; H39-Q366 PolarHBondContact ND1-N 3.36Å; H39-Q366 PolarHBondContact ND1-OE1 3.25Å; H39-Q366 PolarHBondContact NE2-N 2.6Å; H39-Q366 PolarHBondContact NE2-OE1 2.76Å; H39-Q366 VanDerWaalsContact NE2-OE1 3.15Å
367L51.8Low42.7Very low117 Ų117130.7 Ų130.761%0.61369%0.691SS**  trans-12972.1-170.9-60.4176.4000115.7A37 H39A37-L367 HydrophobicContact CB-CD2 4Å; H39-L367 PolarHBondContact CD2-N 2.94Å
368A43.9Very low42.6Very low51 Ų51130.5 Ų130.542%0.42169%0.69SS.*SBendtrans-144.3-68.9161.800000116.6A37 A38A37-A368 VanDerWaalsContact CA-N 3.28Å; A37-A368 VanDerWaalsContact N-C 3.25Å; A37-A368 PolarHBondContact N-O 3.5Å; A38-A368 HydrophobicContact CB-CB 3.91Å
369L53.8Low42.7Very low155 Ų155126.9 Ų126.981%0.81269%0.685SS**BIsolated β-bridgetrans-84.4-10.5-156.5-60169000120.3A37 A38A37-L369 VanDerWaalsContact C-N 3.34Å; A38-L369 HydrophobicContact CB-CB 3.73Å; A38-L369 HydrophobicContact CB-CD1 4.14Å; A38-L369 HydrophobicContact CB-CG 3.8Å
370R47.2Very low42.9Very low179 Ų179125.6 Ų125.668%0.67568%0.679SS**SBendtrans-58142.9164.8-94.5173.3137.895.4-1106V36 A37V36-R370 CarbonylContact C-O 3.34Å; V36-R370 WeakPolarHBondContact CA-O 3.26Å; V36-R370 PolarHBondContact N-O 2.98Å; A37-R370 HydrophobicContact CB-CB 4.02Å; A37-R370 HydrophobicContact CB-CG 4.39Å; A37-R370 PolarHBondContact N-O 2.19Å; A37-R370 VanDerWaalsContact O-CA 3.31Å; A37-R370 WeakPolarHBondContact O-CA 3.26Å; A37-R370 WeakPolarHBondContact O-CB 3.44Å; A37-R370 WeakPolarHBondContact O-CG 3.49Å; A37-R370 PolarHBondContact O-N 3.09Å
371Q41.2Very low43Very low111 Ų111129.4 Ų129.452%0.51969%0.694SS.*SBendtrans62115.6168.6-61.6160.2-51.900113.3A35 V36A35-Q371 CarbonylContact C-O 3.59Å; A35-Q371 CarbonylContact O-C 3.53Å; A35-Q371 WeakPolarHBondContact O-CB 3.49Å; V36-Q371 PolarHBondContact N-O 3.15Å; V36-Q371 PolarHBondContact O-OE1 2.99Å
372V40Very low43.3Very low108 Ų108123.1 Ų123.166%0.65568%0.683SS**  trans70.496.2141.1-169.90000115.7
373E35.1Very low43.4Very low155 Ų155126.2 Ų126.272%0.72469%0.693SS**  cis74.314636.4-146.4-167.9141.200113.5
374M35.3Very low43.1Very low140 Ų140125.3 Ų125.369%0.6970%0.7SS**  trans73.5120.3165.3-57.8-47.6-141.500122.8
375L43.6Very low43.4Very low158 Ų158130.7 Ų130.783%0.82771%0.708SS**  trans81.3143132.1-89.651.5000124
376C37.4Very low43.2Very low120 Ų120130 Ų13081%0.81171%0.713SS**  trans-76.1174.6164-101.60000111.2
377P44.1Very low42.6Very low130 Ų130129.8 Ų129.884%0.84472%0.722SS**  cis-147.4-146.633.843.9-20.8000116.5
378Q32.9Very low42.3Very low174 Ų174127.6 Ų127.681%0.81372%0.722SS**  trans-129.1164.5-174.2163.3-175.45.700108.1
379P38.4Very low42.7Very low110 Ų110128.8 Ų128.871%0.71472%0.718SS**  cis-120.7-108.71.122.45.3000116.9
380P46.7Very low42.4Very low103 Ų103127.4 Ų127.467%0.66971%0.712SS**  -136166.1-124.244.1-24.5000119.4
381L45.4Very low42.4Very low166 Ų166126.6 Ų126.687%0.86972%0.721SS**  trans-154.4140.5150.6-83.4115.4000107.2
382V44.6Very low42.9Very low120 Ų120125.1 Ų125.173%0.72773%0.727SS**  cis89136.940.8-173.90000113.9
383D40.2Very low43.3Very low155 Ų155126.5 Ų126.583%0.82974%0.736SS**  trans83.7142.5170.7-77.8-52.9000123
384G43.5Very low43.7Very low69 Ų69123.9 Ų123.971%0.71173%0.734SS**  trans106.462.4176.400000115.8
385K44.4Very low44.3Very low198 Ų198125.7 Ų125.786%0.86174%0.741SS**  63.8147.383.4-91.1-162.9170.81730116.6
386P45.1Very low44.4Very low110 Ų110123.3 Ų123.371%0.71474%0.744SS**  -134.1165.9-120.940.6-24.3000117.1
387S39.4Very low44.5Very low96 Ų96120.3 Ų120.367%0.67173%0.734SS**  trans-153.5147.2158-69.70000110.9F125F125-S387 VanDerWaalsContact CE2-CA 3.41Å; F125-S387 VanDerWaalsContact CZ-OG 3.23Å; F125-S387 WeakPolarHBondContact CZ-OG 3.31Å
388A46.6Very low44.4Very low72 Ų72120.6 Ų120.660%0.59573%0.733SS**  trans-162.8-130.3-158.700000114.8F125F125-A388 VanDerWaalsContact CD2-N 3.33Å; F125-A388 VanDerWaalsContact CE2-N 3.28Å
389E51.6Low44.7Very low76 Ų76122.2 Ų122.236%0.35573%0.733SS.*  trans97130.3-173.1-85.8-155.9142.500120F125 V126F125-E389 VanDerWaalsContact CA-CD 3.46Å; F125-E389 WeakPolarHBondContact CA-OE2 3.07Å; F125-E389 PolarHBondContact N-OE2 3Å; V126-E389 WeakPolarHBondContact CA-OE1 3.34Å; V126-E389 HydrophobicContact CB-CG 4.22Å; V126-E389 HydrophobicContact CG1-CG 3.81Å; V126-E389 PolarHBondContact N-OE1 3.33Å
390N47.5Very low45.2Very low125 Ų125123.8 Ų123.867%0.66874%0.741SS**  trans47.1127.5141.9-47.9-16.8000118.4
391D47.9Very low45.3Very low163 Ų163125.2 Ų125.287%0.87274%0.742SS**  cis-136.1166.423.2-155.3-10.4000112.4
392A50.3Low45.1Very low79 Ų79125.2 Ų125.265%0.65374%0.744SS**  trans-70.9145.7-171.100000112.9
393V49.3Very low45.2Very low138 Ų138122.2 Ų122.284%0.83674%0.737SS**  -158.6153.757.1-77.60000113.6
394S44.1Very low45.9Very low99 Ų99120.6 Ų120.669%0.69273%0.728SS**  trans-70.1-175.8157.2-50.80000110.2
395E46.8Very low46.5Very low179 Ų179124.8 Ų124.884%0.83673%0.734SS**  cis-163.8161.915.1-154.2161.1124.900109.9
396A47.2Very low47.2Very low107 Ų107120.8 Ų120.888%0.88471%0.714SS**  trans59.4152.3-178.700000114.3
397G38Very low48.3Very low58 Ų58119 Ų11960%0.59870%0.702SS**  cis138.4163.310.400000108.5
398T43.2Very low50Low135 Ų135122 Ų12283%0.82871%0.706SS**  trans63.2106.3178.966.10000117.6T400T398-T400 PolarHBondContact O-N 3.09Å
399Y38.1Very low51.3Low208 Ų208125.8 Ų125.882%0.81671%0.711SS**  trans-0.4112.5139.3-62.4-97000118.5
400T49.4Very low52.3Low143 Ų143126.4 Ų126.488%0.87771%0.713SS**  trans-117.498.5137.4410000105.6T398T398-T400 PolarHBondContact O-N 3.09Å
401L49.5Very low53.6Low133 Ų133124 Ų12470%0.69670%0.697SS**  cis61.7111.740.6-112.9177.5000111.5G403L401-G403 PolarHBondContact O-N 2.67Å
402D40.2Very low54.8Low167 Ų167120.8 Ų120.889%0.89368%0.68SS**SBendtrans-54.4122.5-166-50.8-88.2000113.5
403G47.8Very low55.8Low57 Ų57122.8 Ų122.859%0.58868%0.679SS**  trans-160.7-21.7-176.800000117.9L401 N405L401-G403 PolarHBondContact O-N 2.67Å; G403-N405 PolarHBondContact O-N 3.23Å
404D55.1Low56.5Low120 Ų120122 Ų12264%0.64267%0.668SS**  trans-78.831.7-168.5-153.130.2000114.6Y406 K411D404-Y406 PolarHBondContact O-N 2.88Å; D404-Y406 VanDerWaalsContact O-N 3.17Å; D404-K411 WeakPolarHBondContact OD1-CE 3.19Å; D404-K411 IonicContact OD1-NZ 3.32Å; D404-K411 PolarHBondContact OD1-NZ 2.72Å; D404-K411 IonicContact OD2-NZ 3.66Å; D404-K411 PolarHBondContact OD2-NZ 3.29Å
405N54.4Low57.5Low158 Ų158120.5 Ų120.585%0.84565%0.652SS**  trans-86.733.7-177.4-159.417.5000112.5G403G403-N405 PolarHBondContact O-N 3.23Å
406Y59.4Low57.9Low113 Ų113116.7 Ų116.744%0.44364%0.636SS.*  trans-82.2130.3164.2-69.2-72000108.3D404 Q410 M414D404-Y406 PolarHBondContact O-N 2.88Å; D404-Y406 VanDerWaalsContact O-N 3.17Å; Y406-Q410 HydrophobicContact CD1-CB 3.9Å; Y406-Q410 HydrophobicContact CG-CB 4.43Å; Y406-M414 HydrophobicContact CD1-SD 4.27Å; Y406-M414 HydrophobicContact CE1-SD 3.79Å; Y406-M414 HydrophobicContact CE2-SD 4.34Å
407T69.4Low58.4Low74 Ų74118.5 Ų118.545%0.45463%0.631SS.*  trans-61.5159.6168.857.90000110.6E409 Q410 K411T407-E409 PolarHBondContact O-N 3.01Å; T407-Q410 WeakPolarHBondContact O-CA 3.09Å; T407-Q410 PolarHBondContact O-N 2.74Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.42Å; T407-Q410 PolarHBondContact OG1-N 3.27Å; T407-K411 PolarHBondContact O-N 3.04Å
408E75.3Confident59.3Low159 Ų159124.6 Ų124.674%0.74364%0.636SS**Hα-helixtrans-46.7-46170.7-151.378.5-170.300110.7Q410 K411 D412E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 2.92Å; E408-K411 PolarHBondContact O-N 3.18Å; E408-D412 PolarHBondContact O-N 3.34Å
409E73.9Confident59.8Low150 Ų150122.4 Ų122.470%0.70162%0.619SS**Hα-helixtrans-59.4-36.6176.1-58-179.8-178.500113.2T407 L413T407-E409 PolarHBondContact O-N 3.01Å; E409-L413 WeakPolarHBondContact O-CB 3.05Å; E409-L413 WeakPolarHBondContact O-CD1 3.32Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.93Å
410Q71Confident60.6Low89 Ų89119.3 Ų119.342%0.41662%0.616SS.*Hα-helixtrans-78.5-31.5176.5-74.4-177.3-91.900113.2Y406 T407 E408 L413 M414Y406-Q410 HydrophobicContact CD1-CB 3.9Å; Y406-Q410 HydrophobicContact CG-CB 4.43Å; T407-Q410 WeakPolarHBondContact O-CA 3.09Å; T407-Q410 PolarHBondContact O-N 2.74Å; T407-Q410 WeakPolarHBondContact OG1-CG 3.42Å; T407-Q410 PolarHBondContact OG1-N 3.27Å; E408-Q410 VanDerWaalsContact C-N 3.33Å; E408-Q410 PolarHBondContact O-N 2.92Å; Q410-L413 PolarHBondContact O-N 2.78Å; Q410-M414 WeakPolarHBondContact O-CG 3.27Å; Q410-M414 PolarHBondContact O-N 3.14Å
411K75.7Confident60.9Low75 Ų75120.8 Ų120.833%0.32661%0.61SS.*Hα-helixtrans-65.8-43.2170.2-73.8-172.7173.4-1790110.5D404 T407 E408 L413 M414 N415D404-K411 WeakPolarHBondContact OD1-CE 3.19Å; D404-K411 IonicContact OD1-NZ 3.32Å; D404-K411 PolarHBondContact OD1-NZ 2.72Å; D404-K411 IonicContact OD2-NZ 3.66Å; D404-K411 PolarHBondContact OD2-NZ 3.29Å; T407-K411 PolarHBondContact O-N 3.04Å; E408-K411 PolarHBondContact O-N 3.18Å; K411-L413 PolarHBondContact O-N 2.89Å; K411-M414 CarbonylContact O-C 3.58Å; K411-M414 PolarHBondContact O-N 3Å; K411-M414 VanDerWaalsContact O-N 3.08Å; K411-N415 WeakPolarHBondContact O-CB 3.33Å; K411-N415 VanDerWaalsContact O-CG 3.23Å; K411-N415 PolarHBondContact O-N 3.45Å; K411-N415 PolarHBondContact O-ND2 3.11Å; K411-N415 VanDerWaalsContact O-ND2 3.14Å
412D73.5Confident61Low96 Ų96121.4 Ų121.451%0.51361%0.61SS.*Hα-helixtrans-62-39.5172.7-86.2-9.3000113E408 M414 N415E408-D412 PolarHBondContact O-N 3.34Å; D412-M414 PolarHBondContact O-N 2.76Å; D412-N415 PolarHBondContact O-N 2.64Å
413L70.2Confident61.2Low121 Ų121117.6 Ų117.663%0.63460%0.601SS**Hα-helixtrans-70.7-12.5173.9-72.9167.5000114.1E409 Q410 K411 I416E409-L413 WeakPolarHBondContact O-CB 3.05Å; E409-L413 WeakPolarHBondContact O-CD1 3.32Å; E409-L413 WeakPolarHBondContact O-CG 3.5Å; E409-L413 PolarHBondContact O-N 2.93Å; Q410-L413 PolarHBondContact O-N 2.78Å; K411-L413 PolarHBondContact O-N 2.89Å; L413-I416 WeakPolarHBondContact O-CD1 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.35Å
414M65.4Low61.2Low122 Ų122118.6 Ų118.660%0.60160%0.604SS**Hα-helixtrans-97.7-20.1169.1-74-179.259.300113Y406 Q410 K411 D412 I416Y406-M414 HydrophobicContact CD1-SD 4.27Å; Y406-M414 HydrophobicContact CE1-SD 3.79Å; Y406-M414 HydrophobicContact CE2-SD 4.34Å; Q410-M414 WeakPolarHBondContact O-CG 3.27Å; Q410-M414 PolarHBondContact O-N 3.14Å; K411-M414 CarbonylContact O-C 3.58Å; K411-M414 PolarHBondContact O-N 3Å; K411-M414 VanDerWaalsContact O-N 3.08Å; D412-M414 PolarHBondContact O-N 2.76Å; M414-I416 PolarHBondContact O-N 2.69Å
415N63.6Low60.9Low67 Ų67116.3 Ų116.336%0.35860%0.602SS.*  trans-81.115.6178.8-75-34.4000114.5K411 D412 D417 R418 N419K411-N415 WeakPolarHBondContact O-CB 3.33Å; K411-N415 VanDerWaalsContact O-CG 3.23Å; K411-N415 PolarHBondContact O-N 3.45Å; K411-N415 PolarHBondContact O-ND2 3.11Å; K411-N415 VanDerWaalsContact O-ND2 3.14Å; D412-N415 PolarHBondContact O-N 2.64Å; N415-D417 PolarHBondContact O-N 2.68Å; N415-D417 VanDerWaalsContact O-N 3.12Å; N415-R418 PolarHBondContact O-N 3.33Å; N415-N419 PolarHBondContact O-N 2.88Å
416I56.5Low60.5Low98 Ų98118.1 Ų118.150%0.50360%0.602SS.*Hα-helixtrans-55.5-35.6-172.5-67.3176.2000112.5L413 M414 R418L413-I416 WeakPolarHBondContact O-CD1 3.46Å; L413-I416 WeakPolarHBondContact O-CG1 3.35Å; M414-I416 PolarHBondContact O-N 2.69Å; I416-R418 PolarHBondContact O-N 3.28Å
417D56.4Low59.7Low145 Ų145121.1 Ų121.178%0.77562%0.62SS**Hα-helixtrans-78.4-10.7179.3-65.4-40.9000114.8N415N415-D417 PolarHBondContact O-N 2.68Å; N415-D417 VanDerWaalsContact O-N 3.12Å
418R57.8Low58Low186 Ų186129 Ų12970%0.70264%0.642SS**Hα-helixtrans-88.6-37.3172-92.1-173.8175174.30.5112.8N415 I416 L420 K421 E422N415-R418 PolarHBondContact O-N 3.33Å; I416-R418 PolarHBondContact O-N 3.28Å; R418-L420 PolarHBondContact O-N 2.94Å; R418-L420 VanDerWaalsContact O-N 3.16Å; R418-K421 PolarHBondContact O-N 2.76Å; R418-E422 PolarHBondContact O-N 2.78Å
419N54.1Low56.3Low89 Ų89127.2 Ų127.248%0.47664%0.644SS.*Hα-helixtrans-69.4-17.3-171.3-68.4-4.7000113.7N415N415-N419 PolarHBondContact O-N 2.88Å
420L54.7Low54.9Low143 Ų143129 Ų12975%0.74965%0.649SS**Hα-helixtrans-76.1-27168.3-91.270.3000113.7R418R418-L420 PolarHBondContact O-N 2.94Å; R418-L420 VanDerWaalsContact O-N 3.16Å
421K54.2Low53.3Low174 Ų174133.3 Ų133.376%0.75767%0.669SS**Hα-helixtrans-81.5-34.2180-97.5175.3176.8168.30113R418 A424R418-K421 PolarHBondContact O-N 2.76Å; K421-A424 PolarHBondContact O-N 2.91Å
422E52.5Low51.6Low147 Ų147137.4 Ų137.469%0.68769%0.694SS**Hα-helixtrans-81.7-24.9-174.1-161.2151.8-160.900113.4R418 A424 A425R418-E422 PolarHBondContact O-N 2.78Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.73Å; E422-A425 PolarHBondContact O-N 3.38Å
423A45.5Very low50Low87 Ų87138 Ų13872%0.71970%0.703SS**G310 helixtrans-65.2-26.2169.700000113.3A425A423-A425 VanDerWaalsContact C-N 3.35Å
424A46.7Very low48.8Very low78 Ų78138.1 Ų138.165%0.64571%0.708SS**G310 helixtrans-80.3-11.3-179.900000114K421 E422 K426K421-A424 PolarHBondContact O-N 2.91Å; E422-A424 VanDerWaalsContact C-N 3.25Å; E422-A424 PolarHBondContact O-N 2.73Å; A424-K426 PolarHBondContact O-N 3.12Å
425A48.5Very low47.6Very low72 Ų72140.3 Ų140.360%0.59572%0.715SS**G310 helixtrans-882.2-165.100000116.1E422 A423E422-A425 PolarHBondContact O-N 3.38Å; A423-A425 VanDerWaalsContact C-N 3.35Å
426K45.6Very low46.7Very low195 Ų195142.2 Ų142.285%0.84873%0.733SS**G310 helixtrans-113.613.3-170.5-80.6178.7177.1167.90116.7A424A424-K426 PolarHBondContact O-N 3.12Å
427Q43.7Very low45.8Very low176 Ų176143.1 Ų143.182%0.82275%0.748SS**  trans-122.893.7168.3-77-75.1-19.200109.4P429Q427-P429 WeakPolarHBondContact O-CD 3.5Å
428R33.3Very low45.3Very low240 Ų240147.6 Ų147.691%0.90675%0.754SS**  trans-80117.8174.9-82.2177.661.7-179.10.2109.9
429P38.8Very low44.6Very low121 Ų121142.6 Ų142.679%0.78676%0.761SS**  trans-79164.7176.733.7-35.9000111.9Q427Q427-P429 WeakPolarHBondContact O-CD 3.5Å
430K44.3Very low44.1Very low189 Ų189143.5 Ų143.582%0.82277%0.774SS**  trans-134.4114.3161.1-79-173176.1-176.70109.3
431Q38.8Very low43.5Very low178 Ų178143.5 Ų143.583%0.83277%0.774SS**  trans64.2137.1155.6-60168.1-1500115.1
432L38.9Very low42.9Very low161 Ų161141.1 Ų141.184%0.84377%0.774SS**  cis-127.6173.517.8-74.5168.6000112.1
433P41.3Very low42.3Very low108 Ų108141.7 Ų141.770%0.70178%0.781SS**  trans-117.1-163.8-154.337.9-23.9000116
434V43.2Very low42.5Very low124 Ų124144.9 Ų144.975%0.75278%0.781SS**  trans82.5123.3170-172.20000114.1
435K40.6Very low42.1Very low169 Ų169147 Ų14774%0.73579%0.786SS**  cis-143.9145.3-7.8-91.4148.9-178.3175.70106
436S45.8Very low41.8Very low107 Ų107148.8 Ų148.875%0.74879%0.786SS**  cis102.383.722.878.90000116.3
437S37.7Very low41.4Very low116 Ų116145.8 Ų145.881%0.81177%0.77SS**  trans-169.9132.5148.4-1240000106.7
438R45.1Very low41.4Very low240 Ų240147.4 Ų147.491%0.90677%0.77SS**  cis57.5124.525.3-59.5-166.9-173.7-1684.5113.6
439G42.4Very low41.8Very low81 Ų81143.2 Ų143.284%0.83576%0.76SS**  cis140.6101.8-300000111.8
440S44.7Very low42Very low108 Ų108146.8 Ų146.876%0.75577%0.767SS**  trans-151.7133.7171.1-1560000104.7
441N41.1Very low42Very low142 Ų142143.3 Ų143.376%0.75976%0.761SS**  56.8105.459.4-66-8.7000113
442V42.4Very low42.1Very low125 Ų125140.8 Ų140.876%0.75876%0.76SS**  trans70.9119.6145-176.80000118
443L39.9Very low42.1Very low159 Ų159140.5 Ų140.583%0.83276%0.759SS**  trans62.7163.8172.4-9068.6000114
444E50Low41.9Very low153 Ų153142.5 Ų142.572%0.71576%0.759SS**  cis-126.1161.711-65.8170.6154.200111.8
445V37.1Very low41.8Very low122 Ų122143.8 Ų143.874%0.73976%0.756SS**  trans-103.587176.4-170.90000110.1Y447V445-Y447 HydrophobicContact CG1-CD2 3.73Å; V445-Y447 HydrophobicContact CG1-CE2 3.71Å; V445-Y447 PolarHBondContact O-N 2.72Å
446N43.8Very low41.7Very low111 Ų111143.4 Ų143.459%0.59476%0.757SS**  trans-81.684.1179-76.5-11.1000112.1Y448N446-Y448 HydrophobicContact CB-CD2 4.36Å; N446-Y448 HydrophobicContact CB-CE2 4.06Å; N446-Y448 PolarHBondContact O-N 3.09Å
447Y37.4Very low41.4Very low132 Ų132146.1 Ų146.152%0.51876%0.763SS.*  trans-65.7109.7156.4-81.7-98.2000109.3V445 H449 T571V445-Y447 HydrophobicContact CG1-CD2 3.73Å; V445-Y447 HydrophobicContact CG1-CE2 3.71Å; V445-Y447 PolarHBondContact O-N 2.72Å; Y447-H449 AromaticContact CD1-CD2 3.9Å; Y447-H449 AromaticContact CD1-NE2 3.66Å; Y447-T571 PolarHBondContact OH-O 3.34Å; Y447-T571 PolarHBondContact OH-OG1 3.23Å
448Y42.7Very low41.4Very low210 Ų210145.5 Ų145.582%0.82476%0.756SS**  trans-92.491.2159-77.5-82.8000108.8N446N446-Y448 HydrophobicContact CB-CD2 4.36Å; N446-Y448 HydrophobicContact CB-CE2 4.06Å; N446-Y448 PolarHBondContact O-N 3.09Å
449H42.7Very low41.2Very low152 Ų152143.4 Ų143.470%0.70476%0.756SS**  trans-86.9116.9156-77.8-77.1000107.7Y447Y447-H449 AromaticContact CD1-CD2 3.9Å; Y447-H449 AromaticContact CD1-NE2 3.66Å
450E41.6Very low41Very low196 Ų196147.7 Ų147.792%0.91676%0.755SS**  trans-112132.8162.6-166.7162.6-135.600108.3
451T45Very low40.8Very low116 Ų116150.2 Ų150.271%0.71276%0.759SS**  trans-92.6148.3-163.941.40000113.5
452P39.9Very low40.7Very low125 Ų125149.1 Ų149.181%0.81276%0.76SS**  trans-82.1124.8-179.132.5-34.3000113.4
453L39.5Very low40.8Very low154 Ų154147.5 Ų147.581%0.80676%0.759SS**  trans-148.3156.9152.7-88.8105.4000106.7
454Q36.4Very low41Very low151 Ų151147.8 Ų147.871%0.70676%0.756SS**  cis-173.3162.8-25.1174155.3-24.600105.4
455E42.8Very low40.7Very low150 Ų150150.8 Ų150.870%0.70176%0.761SS**  trans78.8143.2165.3-89.1175.1101.900122.5
456Q38.4Very low41.2Very low161 Ų161150.4 Ų150.475%0.75276%0.764SS**  trans67.681.9149.1-63.6176.640.600121.9
457L39Very low41.2Very low165 Ų165149.8 Ų149.886%0.86477%0.768SS**  16.1153.6105.1-136.379.4000118.9
458P38.5Very low41.6Very low103 Ų103150.6 Ų150.667%0.66979%0.787SS**  -132.6163.5-60.940.9-27.9000113.5
459Q39Very low42Very low196 Ų196142 Ų14292%0.91676%0.762SS**  trans-161.5152.7143.7-117.7165.713.400116.6
460Q39.1Very low42.6Very low170 Ų170137.2 Ų137.279%0.79475%0.749SS**  trans-76.9169.8-161.9-59.2164.6-49.800117
461L41.2Very low42.8Very low162 Ų162136.5 Ų136.585%0.84874%0.739SS**  trans116.8146.5147.6-65.2151.6000117
462P39Very low43.7Very low119 Ų119135.9 Ų135.977%0.77373%0.731SS**  trans-138.3168.7-14541.7-23.4000117.3
463A42.9Very low44.8Very low90 Ų90134 Ų13474%0.74471%0.714SS**  trans176.7137.4136.300000114.2
464Q45.6Very low46Very low166 Ų166132.8 Ų132.878%0.77670%0.704SS**  trans48.3155143.1-55.8-79-19.100121.7
465R43.8Very low47.3Very low215 Ų215129.8 Ų129.881%0.81169%0.693SS**  cis-177.8178.1-48.9-113.5-176.8176.8-164.30.8108.4
466S47.8Very low47.9Very low114 Ų114128.5 Ų128.580%0.79769%0.685SS**  trans76.5145167.786.20000117.7
467S44.1Very low48.8Very low99 Ų99124.6 Ų124.669%0.69268%0.675SS**SBendcis-15945-20.148.20000114.4
468T45.1Very low49.5Very low149 Ų149127.7 Ų127.791%0.91468%0.675SS**SBendtrans-111.1-15.9171.441.10000114.8
469G51.3Low50.2Low29 Ų29128.5 Ų128.530%0.29968%0.678SS.*SBendtrans-84.4-24172.200000114.8Y471 L472 D473G469-Y471 VanDerWaalsContact C-N 3.35Å; G469-Y471 PolarHBondContact O-N 2.92Å; G469-L472 PolarHBondContact O-N 2.93Å; G469-D473 PolarHBondContact O-N 3.49Å
470A54.4Low51Low51 Ų51126.6 Ų126.642%0.42167%0.673SS.*Hα-helixtrans-57.9-33.6-157.600000116.4Q474A470-Q474 WeakPolarHBondContact O-CB 3.48Å; A470-Q474 VanDerWaalsContact O-CG 3.25Å; A470-Q474 WeakPolarHBondContact O-CG 3.47Å; A470-Q474 PolarHBondContact O-N 3.36Å
471Y47Very low51.1Low181 Ų181127.6 Ų127.671%0.7167%0.67SS**Hα-helixtrans-76.1-43177-173.7-109.3000112.1G469 D473 Q474 L475G469-Y471 VanDerWaalsContact C-N 3.35Å; G469-Y471 PolarHBondContact O-N 2.92Å; Y471-D473 VanDerWaalsContact C-N 3.32Å; Y471-D473 PolarHBondContact O-N 3.4Å; Y471-Q474 PolarHBondContact O-N 3.27Å; Y471-L475 HydrophobicContact CD1-CD1 3.83Å; Y471-L475 HydrophobicContact CE1-CD1 3.5Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.5Å; Y471-L475 PolarHBondContact O-N 2.94Å
472L63Low51.1Low104 Ų104128.1 Ų128.155%0.54567%0.668SS.*Hα-helixtrans-66.5-35174.7-82.1166.9000111.7G469 L475 K476G469-L472 PolarHBondContact O-N 2.93Å; L472-L475 PolarHBondContact O-N 3.42Å; L472-K476 WeakPolarHBondContact O-CB 3.25Å; L472-K476 WeakPolarHBondContact O-CD 3.36Å; L472-K476 WeakPolarHBondContact O-CG 3.23Å; L472-K476 PolarHBondContact O-N 3.21Å
473D62.7Low51.2Low85 Ų85130.8 Ų130.846%0.45567%0.67SS.*Hα-helixtrans-76.1-31.1177.9-64.2-29000112.3G469 Y471 K476 S477G469-D473 PolarHBondContact O-N 3.49Å; Y471-D473 VanDerWaalsContact C-N 3.32Å; Y471-D473 PolarHBondContact O-N 3.4Å; D473-K476 PolarHBondContact O-N 2.93Å; D473-K476 IonicContact OD1-NZ 3.08Å; D473-S477 VanDerWaalsContact O-CB 3.25Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 3.04Å; D473-S477 PolarHBondContact O-OG 3.37Å
474Q65.4Low51.2Low129 Ų129132.9 Ų132.960%0.60367%0.673SS**Hα-helixtrans-70.1-33.1169-76.9177.342.200112.9A470 Y471 S477 R478A470-Q474 WeakPolarHBondContact O-CB 3.48Å; A470-Q474 VanDerWaalsContact O-CG 3.25Å; A470-Q474 WeakPolarHBondContact O-CG 3.47Å; A470-Q474 PolarHBondContact O-N 3.36Å; Y471-Q474 PolarHBondContact O-N 3.27Å; Q474-S477 PolarHBondContact O-OG 3.11Å; Q474-R478 WeakPolarHBondContact O-CB 3.28Å; Q474-R478 PolarHBondContact O-N 2.87Å
475L62.9Low50.9Low88 Ų88129.8 Ų129.846%0.46167%0.667SS.*Hα-helixtrans-66.9-44.4170-85.8158.3000111.3Y471 L472 R478 V479Y471-L475 HydrophobicContact CD1-CD1 3.83Å; Y471-L475 HydrophobicContact CE1-CD1 3.5Å; Y471-L475 VanDerWaalsContact CE1-CD1 3.5Å; Y471-L475 PolarHBondContact O-N 2.94Å; L472-L475 PolarHBondContact O-N 3.42Å; L475-R478 PolarHBondContact O-N 3.43Å; L475-V479 WeakPolarHBondContact O-CG2 3.31Å; L475-V479 PolarHBondContact O-N 3.48Å
476K56.6Low50.7Low123 Ų123126.5 Ų126.554%0.53567%0.665SS.*Hα-helixtrans-67.7-40.3176.5-70.1164.5-172173.30112.7L472 D473 R478 V479 L480L472-K476 WeakPolarHBondContact O-CB 3.25Å; L472-K476 WeakPolarHBondContact O-CD 3.36Å; L472-K476 WeakPolarHBondContact O-CG 3.23Å; L472-K476 PolarHBondContact O-N 3.21Å; D473-K476 PolarHBondContact O-N 2.93Å; D473-K476 IonicContact OD1-NZ 3.08Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 3.22Å; K476-V479 PolarHBondContact O-N 3.26Å; K476-L480 PolarHBondContact O-N 3.34Å
477S57.3Low50.4Low78 Ų78126.2 Ų126.255%0.54566%0.663SS.*Hα-helixtrans-71.7-19.5178.976.20000113.4D473 Q474D473-S477 VanDerWaalsContact O-CB 3.25Å; D473-S477 WeakPolarHBondContact O-CB 3.24Å; D473-S477 PolarHBondContact O-N 3.04Å; D473-S477 PolarHBondContact O-OG 3.37Å; Q474-S477 PolarHBondContact O-OG 3.11Å
478R52.8Low50.5Low230 Ų230127.1 Ų127.187%0.86867%0.667SS**Hα-helixtrans-83.3-16167.8-82-176.4164.4178-3.8113.8Q474 L475 K476Q474-R478 WeakPolarHBondContact O-CB 3.28Å; Q474-R478 PolarHBondContact O-N 2.87Å; L475-R478 PolarHBondContact O-N 3.43Å; K476-R478 VanDerWaalsContact C-N 3.27Å; K476-R478 PolarHBondContact O-N 3.22Å
479V53.3Low50.4Low121 Ų121124.9 Ų124.973%0.73366%0.655SS**Hα-helixtrans-96.5-23.3176.6171.10000112.1L475 K476L475-V479 WeakPolarHBondContact O-CG2 3.31Å; L475-V479 PolarHBondContact O-N 3.48Å; K476-V479 PolarHBondContact O-N 3.26Å
480L54.9Low49.8Very low155 Ų155129.8 Ų129.881%0.81268%0.679SS**SBendtrans-113.648.5-176.9-155.973.2000113.9K476K476-L480 PolarHBondContact O-N 3.34Å
481R42.3Very low49.5Very low191 Ų191132.6 Ų132.672%0.72169%0.693SS**  trans-125.687.1159.1-161.1177.7-173-150.2-3109.7Q1302R481-Q1302 PolarHBondContact NH2-O 3.45Å; R481-Q1302 PolarHBondContact NH2-OXT 3.49Å
482Q40.5Very low49.4Very low174 Ų174129.3 Ų129.381%0.81369%0.694SS**  trans-119.1159.9176.2-168.1-176.582.900108.5
483Q42.7Very low48.3Very low174 Ų174129.5 Ų129.581%0.81370%0.704SS**  trans79.1141.7-171.7-51.4174.26.100113.8
484V41.5Very low47.7Very low135 Ų135131 Ų13182%0.81872%0.718SS**  cis165.9151.7-26.7128.70000106.8
485P39.9Very low46.5Very low100 Ų100129.3 Ų129.365%0.64973%0.727SS**  cis-126.4-171.1-2433.3-12.5000112.6
486L40.2Very low45.8Very low147 Ų147129.7 Ų129.777%0.7774%0.742SS**  trans145.2100.8134.3-79.1163.9000115.2
487S40.9Very low45.3Very low107 Ų107131.1 Ų131.175%0.74876%0.756SS**  trans55.3143.4145.643.50000123.3
488P45.5Very low44.4Very low118 Ų118135.7 Ų135.777%0.76677%0.771SS**  trans-97.7-161.9178.446.9-41.1000110.7
489P43.5Very low44.1Very low102 Ų102128.3 Ų128.366%0.66277%0.766SS**  cis-146.8178.67.639.3-16.5000120.2
490T39.3Very low43.4Very low132 Ų132128.1 Ų128.181%0.8177%0.769SS**  trans80.7155.4146.337.90000121.7
491P47.5Very low42.3Very low111 Ų111129.8 Ų129.872%0.72177%0.77SS**  trans-119.2-145.1-162.344.3-26.3000110.6
492P44.8Very low42.3Very low111 Ų111126.5 Ų126.572%0.72177%0.771SS**  cis-140.7-168-8.234.3-10.5000117.1
493S40.1Very low41.9Very low108 Ų108123.1 Ų123.176%0.75577%0.767SS**  trans93.3163.7140.9-126.50000118
494P50.4Low41.8Very low117 Ų117120.8 Ų120.876%0.7676%0.764SS**  -141.1-165.3-73.344-27.6000114.8
495A39.4Very low41.8Very low94 Ų94120 Ų12078%0.77776%0.759SS**  trans104161.1149.200000119.9
496A48.7Very low41.4Very low96 Ų96121.2 Ų121.279%0.79377%0.765SS**  trans62.1100.8-173.300000115
497D45.5Very low41.2Very low153 Ų153119.2 Ų119.282%0.81876%0.764SS**  cis94.4154.427-160.326.8000115.5
498M39.7Very low40.9Very low173 Ų173117.3 Ų117.385%0.85276%0.761SS**  trans82.8105.5176.8-46.9-135.478.100117.1
499G45.6Very low40.3Very low75 Ų75116.3 Ų116.377%0.77375%0.753SS**  trans-179.127.5179.200000121.6
500C39.2Very low40.2Very low117 Ų117118.1 Ų118.179%0.79176%0.756SS**  trans65.8103.3173-148.60000116.4
501F32.2Very low40.3Very low191 Ų191115.4 Ų115.484%0.83875%0.747SS**  52.7122.281.9-77.1-111000114.6
502T40.5Very low39.8Very low122 Ų122118 Ų11875%0.74875%0.747SS**  cis-139.8131.9551.20000113.1
503S33.5Very low39.4Very low103 Ų103119.1 Ų119.172%0.7274%0.743SS**  trans-81.6179.1157.349.70000111
504V40.4Very low39.3Very low124 Ų124123.7 Ų123.775%0.75274%0.743SS**  166144.698.4153.90000106.5
505T41.8Very low38.6Very low118 Ų118122 Ų12272%0.72474%0.739SS**  cis-156.7172-27.937.40000107.3
506T31.5Very low38.7Very low126 Ų126124.8 Ų124.877%0.77374%0.741SS**SBendtrans-96.7158162.347.40000111.9
507S34.6Very low38.1Very low105 Ų105126 Ų12673%0.73473%0.734SS**  trans61.6150.7171.470.60000118.3
508G36Very low37.9Very low68 Ų68124.9 Ų124.970%0.70173%0.732SS**  trans148.191168.400000117.6
509V32.7Very low37.7Very low96 Ų96124.5 Ų124.558%0.58273%0.728SS**  trans-38.9146.1170.5-155.70000116.7Y913V509-Y913 HydrophobicContact CG1-CE1 4.43Å
510L41.5Very low37.6Very low141 Ų141125.9 Ų125.974%0.73872%0.724SS**  151.8126.4124.9-75.5173.6000115.9Y913L510-Y913 WeakPolarHBondContact CA-OH 3.47Å; L510-Y913 HydrophobicContact CD2-CE1 3.98Å; L510-Y913 WeakPolarHBondContact CD2-OH 3.1Å
511A41.5Very low37.4Very low75 Ų75129 Ų12962%0.6272%0.724SS**  trans63.6158.9151.100000123Y913A511-Y913 PolarHBondContact N-OH 3.35Å
512K36.4Very low37.8Very low165 Ų165127 Ų12772%0.71772%0.721SS**  cis-175138.1-32.9-173.5165-176.9170.80111.5
513Q37Very low37.5Very low135 Ų135125.4 Ų125.463%0.63172%0.715SS**  trans64.7153.2165.5-76.2167-49.600117.7
514R37.2Very low37.5Very low203 Ų203128.4 Ų128.477%0.76671%0.71SS**  cis-147.9139.7-5-109.5171.6-171.9120.7-6.3106.6
515A36.4Very low37.4Very low82 Ų82129.3 Ų129.368%0.67871%0.706SS**  49.3132.186.100000114.1
516L40.9Very low37Very low153 Ų153128.4 Ų128.480%0.80170%0.704SS**  cis-145.2149.831.1-74.9164.6000110.9
517D36Very low37.6Very low121 Ų121131.1 Ų131.165%0.64771%0.708SS**  62.8128.886.6-131-7.5000113.3
518T41.3Very low37.5Very low129 Ų129131.9 Ų131.979%0.79171%0.713SS**  -159.6158.559.1420000116.4
519H36.3Very low37.5Very low165 Ų165135 Ų13576%0.76471%0.713SS**  trans-71.8-177.5172.4-72.8-73.2000113.2
520P42.2Very low38.2Very low105 Ų105134.5 Ų134.568%0.68271%0.714SS**  cis-159176.927.646.5-23.6000123.1
521K36.5Very low38.3Very low181 Ų181134.9 Ų134.979%0.78772%0.722SS**  trans75127.8138.8-86.3169.9-178.6-1770124.2
522L40.1Very low38.4Very low151 Ų151135.7 Ų135.779%0.79172%0.724SS**  trans72.6149.2142.2-61.6168.7000118.4
523S32.9Very low38.8Very low88 Ų88134.5 Ų134.562%0.61572%0.72SS**  cis-152.2170.2-2.6-153.70000113
524R34.9Very low38.9Very low165 Ų165135.9 Ų135.962%0.62373%0.73SS**  trans3.6139.2148.8-65.2170-177.6-110.57.4117.5D692R524-D692 IonicContact CZ-OD2 2.86Å; R524-D692 IonicContact NE-OD2 3.6Å; R524-D692 IonicContact NH2-OD2 3.89Å; R524-D692 PolarHBondContact NH2-OD2 2.77Å
525H38Very low39.1Very low144 Ų144132.3 Ų132.367%0.66773%0.727SS**  cis-171.1158.631.7-110.5-17.2000113.8
526S32.8Very low39.1Very low98 Ų98133.9 Ų133.969%0.68573%0.732SS**  trans32.7106.5149.765.20000121.8
527H44.3Very low39.1Very low184 Ų184131.3 Ų131.385%0.85273%0.727SS**  trans-137.6133137-89.5-69.1000110.8L529H527-L529 PolarHBondContact O-N 2.58Å
528S32.6Very low39.4Very low120 Ų120133.2 Ų133.284%0.83973%0.732SS**  trans-76.1104.9179.453.50000110.7
529L37Very low39.1Very low135 Ų135137.2 Ų137.271%0.70774%0.735SS**  trans-76.2139.2179.5-64.9-179.8000112H527H527-L529 PolarHBondContact O-N 2.58Å
530S46.5Very low39.3Very low84 Ų84136.4 Ų136.459%0.58774%0.741SS**  trans-71.6161.8-179.9-1770000111.6S532S530-S532 PolarHBondContact O-N 3.01Å
531T43.7Very low39.1Very low150 Ų150135.2 Ų135.292%0.9274%0.735SS**SBendtrans-72.144-174.265.20000114.2
532S43.8Very low39Very low92 Ų92134.8 Ų134.864%0.64374%0.741SS**SBendtrans-146.821.7-169.861.50000113.4S530S530-S532 PolarHBondContact O-N 3.01Å
533Q44.2Very low38.9Very low139 Ų139137 Ų13765%0.6575%0.748SS**  trans-138.617.4176.6-65-170.9-88.200113.3
534I39.9Very low39Very low164 Ų164136.4 Ų136.484%0.84175%0.748SS**  trans-101.891.7162.4-57.6176.7000105.6
535D41.6Very low39.3Very low129 Ų129138.1 Ų138.169%0.6976%0.76SS**  trans-103.1131.1176.4-158.6-24.4000108.8S537D535-S537 PolarHBondContact O-N 3.41Å
536S36.4Very low39.3Very low114 Ų114139.7 Ų139.780%0.79777%0.772SS**SBendtrans46.518.415945.10000123.6
537S39.4Very low39.4Very low100 Ų100146.7 Ų146.770%0.69978%0.783SS**SBendtrans-160100.2163.159.30000118D535D535-S537 PolarHBondContact O-N 3.41Å
538E43.5Very low38.9Very low160 Ų160146.4 Ų146.475%0.74878%0.782SS**SBendtrans-178.9-33.8143.1-112.3-172.8146.300114.7V540E538-V540 PolarHBondContact O-N 2.84Å
539Y34.3Very low39Very low214 Ų214145.1 Ų145.184%0.83977%0.769SS**SBendtrans-100.534.1-157.2-91-90.4000118.2
540V40.7Very low38.8Very low148 Ų148147.5 Ų147.590%0.89778%0.777SS**SBendtrans-144.861.2153.3-165.50000109.7E538E538-V540 PolarHBondContact O-N 2.84Å
541S38.1Very low38.1Very low79 Ų79147.4 Ų147.455%0.55278%0.781SS**  trans-131.437-179.4-61.10000113.4E543S541-E543 PolarHBondContact O-N 3.36Å
542N33.4Very low37.8Very low172 Ų172148 Ų14892%0.9278%0.778SS**THydrogen-bonded Turntrans-78.430.3173-77.718.5000113
543E38.6Very low37.4Very low199 Ų199149.6 Ų149.693%0.9379%0.789SS**THydrogen-bonded Turntrans-150.428.1-176.6-132.5154.3-128.500112.1S541S541-E543 PolarHBondContact O-N 3.36Å
544A35.1Very low37Very low74 Ų74146.6 Ų146.661%0.61280%0.795SS**SBendtrans-147.843.8-177.300000114
545K41.7Very low36.5Very low202 Ų202144 Ų14488%0.87879%0.792SS**SBendtrans-172.855.1168.6-109.6158.7-172.1177.90114.9
546L38.3Very low36.5Very low177 Ų177142.2 Ų142.293%0.92780%0.795SS**  trans-150.143.7166-146.472.3000116.5
547R33.4Very low36.9Very low245 Ų245142.4 Ų142.493%0.92579%0.792SS**  trans-112.1132.7134.6-59.1-74.9180145.1-2.6102.4
548H35.6Very low37Very low178 Ų178143.6 Ų143.682%0.82479%0.79SS**  cis-160142.133.7-175.664000103.7
549T33.7Very low37.1Very low93 Ų93144.5 Ų144.557%0.57179%0.786SS**  cis-157.9169.547.342.50000112.3
550Q33.6Very low37.9Very low184 Ų184141.2 Ų141.286%0.8678%0.779SS**  trans30.3136141.1-67.7174.8-11.200121.4
551A32Very low38.3Very low82 Ų82136.6 Ų136.668%0.67875%0.747SS**  cis-167.2-179.6-3.100000112.4
552L36.2Very low38.6Very low162 Ų162135.6 Ų135.685%0.84874%0.744SS**  trans80114.3159.6-59.7171.8000120.2
553S34.7Very low39.1Very low126 Ų126131.6 Ų131.688%0.88172%0.719SS**  trans61.1134.9147.6620000120.6
554G36.5Very low39.2Very low76 Ų76131.1 Ų131.178%0.78471%0.71SS**  cis-179.2156.2-4.500000114.9
555S30.5Very low39.7Very low110 Ų110138.7 Ų138.777%0.76972%0.723SS**  trans1.2131.6168.4-158.10000122.1
556A40.2Very low39.7Very low92 Ų92136.2 Ų136.276%0.7672%0.719SS**  trans179.150.4145.600000111.4
557T45Very low39.8Very low118 Ų118136 Ų13672%0.72472%0.718SS**  61.283.9109.761.40000116.4R559T557-R559 PolarHBondContact O-N 3.08Å
558D42.2Very low40.3Very low124 Ų124128.6 Ų128.666%0.66370%0.7SS**  trans-89.484162.5-173.613.5000108.9
559R45.8Very low40.4Very low179 Ų179129 Ų12968%0.67570%0.7SS**  trans-118.234.6-176.9-154.1-172.5-175.8170.43.6113T557 E944T557-R559 PolarHBondContact O-N 3.08Å; R559-E944 IonicContact CZ-OE1 2.72Å; R559-E944 VanDerWaalsContact CZ-OE1 3.29Å; R559-E944 IonicContact NE-OE1 3.94Å; R559-E944 PolarHBondContact NE-OE1 3.42Å; R559-E944 VanDerWaalsContact NE-OE1 3.09Å; R559-E944 IonicContact NH2-OE1 2.68Å; R559-E944 PolarHBondContact NH2-OE1 3.38Å
560Q49.9Very low40.6Very low146 Ų146131.1 Ų131.168%0.68271%0.713SS**SBendtrans-134.546.7175.7-60.8-173.1-77.900110.4V946Q560-V946 CarbonylContact C-O 3.57Å
561K49.7Very low40.7Very low50 Ų50127.9 Ų127.922%0.21771%0.706CS.*SBendtrans-139.939.8177-63.8-166.5-177.5-161.30119.3V946 E947 N948 H949 D951K561-V946 CarbonylContact C-O 3.32Å; K561-V946 VanDerWaalsContact C-O 3.28Å; K561-V946 WeakPolarHBondContact CA-O 3.31Å; K561-V946 PolarHBondContact N-O 3.37Å; K561-E947 VanDerWaalsContact CA-O 3.32Å; K561-E947 WeakPolarHBondContact CA-O 3.38Å; K561-N948 WeakPolarHBondContact O-CA 3.44Å; K561-N948 VanDerWaalsContact O-CB 3.27Å; K561-N948 WeakPolarHBondContact O-CB 3.22Å; K561-N948 PolarHBondContact O-ND2 3.23Å; K561-N948 VanDerWaalsContact O-ND2 3.09Å; K561-H949 HydrophobicContact CD-CB 3.94Å; K561-H949 HydrophobicContact CG-CB 4.25Å; K561-D951 IonicContact NZ-OD2 2.74Å; K561-D951 PolarHBondContact NZ-OD2 3.1Å
562A44.4Very low41.2Very low59 Ų59128.8 Ų128.849%0.48871%0.707SS.*BIsolated β-bridgetrans-137.7-36.8-178.900000120.5Y564 A945 V946A562-Y564 PolarHBondContact O-N 2.77Å; A562-Y564 VanDerWaalsContact O-N 3.08Å; A562-A945 CarbonylContact C-O 3.58Å; A562-A945 VanDerWaalsContact C-O 3.3Å; A562-A945 WeakPolarHBondContact CA-O 3.47Å; A562-A945 WeakPolarHBondContact CB-O 3.47Å; A562-V946 VanDerWaalsContact N-C 3.33Å; A562-V946 PolarHBondContact N-O 2.87Å
563E44.9Very low41.1Very low87 Ų87128 Ų12841%0.40770%0.704SS.*  trans-64.8113.4173.6-71.1157.7-170.300110.8E944 A945 V946 E947E563-E944 VanDerWaalsContact CG-O 3.26Å; E563-E944 WeakPolarHBondContact CG-O 3.36Å; E563-A945 VanDerWaalsContact CG-C 3.46Å; E563-A945 VanDerWaalsContact N-C 3.29Å; E563-A945 PolarHBondContact N-O 3.33Å; E563-A945 WeakPolarHBondContact OE1-CA 3.44Å; E563-V946 VanDerWaalsContact N-C 3.3Å; E563-V946 VanDerWaalsContact N-N 3.16Å; E563-E947 WeakPolarHBondContact O-CA 3.45Å; E563-E947 PolarHBondContact O-N 2.75Å
564Y39Very low41.2Very low189 Ų189128.3 Ų128.374%0.74170%0.696SS**  -16957.8126.9-104.5-61000108.9A562 L566 E947A562-Y564 PolarHBondContact O-N 2.77Å; A562-Y564 VanDerWaalsContact O-N 3.08Å; Y564-L566 VanDerWaalsContact C-N 3.32Å; Y564-L566 PolarHBondContact O-N 3.5Å; Y564-E947 HydrophobicContact CD2-CG 4.05Å; Y564-E947 HydrophobicContact CE2-CG 3.85Å
565R47.4Very low41.1Very low233 Ų233132.2 Ų132.288%0.87969%0.694SS**  trans-77.383.2175.9-64.8-17283.5162.23.4110.8N567R565-N567 PolarHBondContact O-N 2.81Å; R565-N567 VanDerWaalsContact O-N 3.08Å
566L41.6Very low41.4Very low151 Ų151134.8 Ų134.879%0.79169%0.694SS**  trans38.161.6136.2-163.772.7000117Y564 V568Y564-L566 VanDerWaalsContact C-N 3.32Å; Y564-L566 PolarHBondContact O-N 3.5Å; L566-V568 HydrophobicContact CD1-CG2 3.95Å; L566-V568 HydrophobicContact CG-CG2 3.89Å; L566-V568 PolarHBondContact O-N 3.09Å; L566-V568 VanDerWaalsContact O-N 3.17Å
567N40.4Very low41.1Very low171 Ų171137.3 Ų137.391%0.91469%0.689SS**  trans-78.1100.3166.7-100.26.7000110.5R565R565-N567 PolarHBondContact O-N 2.81Å; R565-N567 VanDerWaalsContact O-N 3.08Å
568V43.7Very low40.6Very low90 Ų90138.5 Ų138.555%0.54569%0.687SS.*  trans-98.4111.8179.4164.40000109.4L566L566-V568 HydrophobicContact CD1-CG2 3.95Å; L566-V568 HydrophobicContact CG-CG2 3.89Å; L566-V568 PolarHBondContact O-N 3.09Å; L566-V568 VanDerWaalsContact O-N 3.17Å
569F36.9Very low40.3Very low186 Ų186139.8 Ų139.882%0.81669%0.692SS**  trans63.2114.6-179.2-48.9-64.1000117.3
570T38.3Very low39.9Very low139 Ų139135.7 Ų135.785%0.85369%0.689SS**  -174.8124.3111.621.40000110.2
571T35.9Very low39.3Very low116 Ų116135.4 Ų135.471%0.71269%0.693SS**  trans-96106.1165.344.70000109.2Y447Y447-T571 PolarHBondContact OH-O 3.34Å; Y447-T571 PolarHBondContact OH-OG1 3.23Å
572S41.2Very low38.9Very low100 Ų100138.9 Ų138.970%0.69972%0.718SS**  trans-115135.8160.8510000108.1
573N35.7Very low38.4Very low146 Ų146142 Ų14278%0.78173%0.734SS**  trans-144.8113.8-177.9176.212.6000109
574N36.8Very low38.2Very low133 Ų133144.3 Ų144.371%0.71175%0.753SS**  trans-152.4110.5152.9-123.2-41.7000111.6
575Q34.1Very low38Very low158 Ų158141.8 Ų141.874%0.73876%0.758SS**  trans12.4126.6140.9-54171.710000117.7
576Q35.4Very low37.6Very low164 Ų164136 Ų13677%0.76675%0.75SS**  -173.2139.6106.4-106.4-179.51100113.2
577H34.4Very low37.6Very low144 Ų144134.6 Ų134.667%0.66775%0.748SS**  trans58.5143.6155.4-64.6-69.9000120.4
578Q35.5Very low37.6Very low144 Ų144135.3 Ų135.367%0.67375%0.746SS**  cis-169.5118.8-15.6-178.2156.717.100113.3
579L35Very low37.3Very low150 Ų150136.4 Ų136.479%0.78576%0.758SS**  trans68.4164150.1-77170.7000119.2
580P37.2Very low37.7Very low94 Ų94131.6 Ų131.661%0.6175%0.747SS**  -138.1-146.2-124.545.3-24.5000116
581D38.1Very low38.2Very low140 Ų140132.1 Ų132.175%0.74974%0.74SS**  trans77.4136.3167.9-58-32.2000118.1
582T40.1Very low39.2Very low122 Ų122130.5 Ų130.575%0.74874%0.739SS**  cis-151145.5-14.920.90000109.5
583P34.9Very low39.9Very low126 Ų126128.7 Ų128.782%0.81873%0.729SS**PPolyproline II helixtrans-98.4149.8-17736.4-33.9000114.8
584T40.8Very low40.7Very low134 Ų134124.9 Ų124.982%0.82271%0.709SS**PPolyproline II helixtrans-103.714716954.20000112.1P586T584-P586 WeakPolarHBondContact O-CD 3.22Å
585T34Very low41.6Very low136 Ų136122.9 Ų122.983%0.83470%0.698SS**PPolyproline II helixtrans-63.6122.2-166.1-42.70000115.5
586P39.4Very low42.8Very low111 Ų111123.5 Ų123.572%0.72170%0.7SS**PPolyproline II helixtrans-94.7131.4161.134-27.1000111.2T584T584-P586 WeakPolarHBondContact O-CD 3.22Å
587T41.7Very low44.1Very low122 Ų122119.7 Ų119.775%0.74869%0.688SS**PPolyproline II helixtrans-83.2149167.2-34.90000108.8
588Q40.9Very low45.7Very low187 Ų187114 Ų11487%0.87467%0.667SS**  trans78.573.9172.1-49.9176.871.400118
589S37.4Very low47.7Very low113 Ų113115.8 Ų115.879%0.7968%0.675SS**  trans-170.7114.6145.743.10000111.3
590S45.3Very low50.1Low85 Ų85112 Ų11259%0.59466%0.658SS**  trans-158.631.1-177.676.30000116
591E48.9Very low52.2Low149 Ų149115.3 Ų115.370%0.69666%0.663SS**SBendtrans-99-46.5172.6-163.1161.5-170.900111L594 L595E591-L594 WeakPolarHBondContact O-CB 3.43Å; E591-L594 PolarHBondContact O-N 3.48Å; E591-L595 PolarHBondContact O-N 2.83Å
592A56.6Low54.5Low83 Ų83114.5 Ų114.569%0.68666%0.655SS**Hα-helixtrans-60.7-45171.100000113L594 L595A592-L594 PolarHBondContact O-N 2.98Å; A592-L595 PolarHBondContact O-N 3.36Å
593A54.9Low56.9Low61 Ų61111.2 Ų111.250%0.50463%0.632SS.*Hα-helixtrans-66.2-22.2177.500000113.4
594L54Low59.4Low67 Ų67112.6 Ų112.635%0.35162%0.622SS.*Hα-helixtrans-72.3-47.6175.8-125.870000110.6E591 A592 Q596 T597 E607E591-L594 WeakPolarHBondContact O-CB 3.43Å; E591-L594 PolarHBondContact O-N 3.48Å; A592-L594 PolarHBondContact O-N 2.98Å; L594-Q596 PolarHBondContact O-N 2.85Å; L594-Q596 VanDerWaalsContact O-N 3.11Å; L594-T597 WeakPolarHBondContact O-CB 3.23Å; L594-T597 WeakPolarHBondContact O-CG2 3.28Å; L594-T597 PolarHBondContact O-N 2.98Å; L594-T597 PolarHBondContact O-OG1 2.89Å; L594-E607 VanDerWaalsContact O-OE2 3.09Å
595L55.4Low61.8Low90 Ų90110.4 Ų110.447%0.47160%0.604SS.*Hα-helixtrans-58.9-25.7-179.4-68.4167.2000113.6E591 A592 T597 E607E591-L595 PolarHBondContact O-N 2.83Å; A592-L595 PolarHBondContact O-N 3.36Å; L595-T597 VanDerWaalsContact C-N 3.29Å; L595-E607 HydrophobicContact CD2-CG 4.33Å
596Q58.2Low64.6Low171 Ų171109 Ų10980%0.79959%0.588SS**THydrogen-bonded Turntrans-77.8-11.8176.3-146.7175.224.200113.4L594 A598L594-Q596 PolarHBondContact O-N 2.85Å; L594-Q596 VanDerWaalsContact O-N 3.11Å; Q596-A598 VanDerWaalsContact C-N 3.31Å
597T62.8Low66.9Low84 Ų84104 Ų10452%0.51556%0.555SS.*THydrogen-bonded Turntrans-79-11.6176.2700000113.6L594 L595 Q599L594-T597 WeakPolarHBondContact O-CB 3.23Å; L594-T597 WeakPolarHBondContact O-CG2 3.28Å; L594-T597 PolarHBondContact O-N 2.98Å; L594-T597 PolarHBondContact O-OG1 2.89Å; L595-T597 VanDerWaalsContact C-N 3.29Å; T597-Q599 PolarHBondContact O-N 3.24Å
598A69Low69.1Low25 Ų25106.4 Ų106.421%0.20755%0.55CS.*  trans-7757.1-175.700000113.8Q596 T600 D603 W604Q596-A598 VanDerWaalsContact C-N 3.31Å; A598-T600 VanDerWaalsContact C-N 3.3Å; A598-T600 PolarHBondContact O-N 3.32Å; A598-D603 HydrophobicContact CB-CB 4.26Å; A598-W604 HydrophobicContact CB-CE3 4.46Å
599Q77Confident71.7Confident181 Ų18198.6 Ų98.685%0.84652%0.518SS*.  trans-64.1-29.9-178.8-72-169.5-12.200113.5T597T597-Q599 PolarHBondContact O-N 3.24Å
600T85.5Confident74.2Confident72 Ų7298.9 Ų98.944%0.44250%0.501SS..SBendtrans-111.6158.6177.981.60000112.9A598 Q602 D603 W604A598-T600 VanDerWaalsContact C-N 3.3Å; A598-T600 PolarHBondContact O-N 3.32Å; T600-Q602 PolarHBondContact O-N 3.05Å; T600-Q602 VanDerWaalsContact O-N 3.15Å; T600-Q602 WeakPolarHBondContact OG1-CB 3.44Å; T600-Q602 PolarHBondContact OG1-N 2.91Å; T600-Q602 VanDerWaalsContact OG1-N 3.16Å; T600-D603 VanDerWaalsContact CB-OD2 3.24Å; T600-D603 WeakPolarHBondContact CB-OD2 3.41Å; T600-D603 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D603 PolarHBondContact N-OD2 3.39Å; T600-D603 PolarHBondContact O-N 2.83Å; T600-D603 PolarHBondContact OG1-N 2.83Å; T600-D603 PolarHBondContact OG1-OD2 3.17Å; T600-W604 PolarHBondContact O-N 3.09Å
601K81.6Confident76.4Confident162 Ų16297.1 Ų97.170%0.70449%0.486SS*.Hα-helixtrans-53.3-30.7167.9-177.6-179.7176.5-175.60112.3I605K601-I605 HydrophobicContact CG-CD1 4.14Å; K601-I605 WeakPolarHBondContact O-CD1 3.44Å; K601-I605 VanDerWaalsContact O-CG1 3.23Å; K601-I605 WeakPolarHBondContact O-CG1 3.06Å; K601-I605 PolarHBondContact O-N 2.72Å
602Q86.8Confident78.2Confident123 Ų12392.3 Ų92.358%0.57547%0.471SS*.Hα-helixtrans-70-40177.5-12169.5-14.600111.3T600 I605 Q606T600-Q602 PolarHBondContact O-N 3.05Å; T600-Q602 VanDerWaalsContact O-N 3.15Å; T600-Q602 WeakPolarHBondContact OG1-CB 3.44Å; T600-Q602 PolarHBondContact OG1-N 2.91Å; T600-Q602 VanDerWaalsContact OG1-N 3.16Å; Q602-I605 PolarHBondContact O-N 2.82Å; Q602-Q606 VanDerWaalsContact O-CG 3.28Å; Q602-Q606 WeakPolarHBondContact O-CG 3.34Å; Q602-Q606 PolarHBondContact O-N 3.32Å; Q602-Q606 PolarHBondContact O-NE2 2.96Å
603D89.6Confident79.8Confident53 Ų5396.9 Ų96.928%0.28347%0.471SS..Hα-helixtrans-70.9-42.9179.2-52.2-48.1000110.8A598 T600 I605 Q606 E607A598-D603 HydrophobicContact CB-CB 4.26Å; T600-D603 VanDerWaalsContact CB-OD2 3.24Å; T600-D603 WeakPolarHBondContact CB-OD2 3.41Å; T600-D603 WeakPolarHBondContact CG2-OD2 3.47Å; T600-D603 PolarHBondContact N-OD2 3.39Å; T600-D603 PolarHBondContact O-N 2.83Å; T600-D603 PolarHBondContact OG1-N 2.83Å; T600-D603 PolarHBondContact OG1-OD2 3.17Å; D603-I605 VanDerWaalsContact C-N 3.29Å; D603-I605 PolarHBondContact O-N 3.06Å; D603-Q606 CarbonylContact O-C 3.19Å; D603-Q606 PolarHBondContact O-N 3.05Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; D603-Q606 PolarHBondContact OD1-NE2 3.2Å; D603-E607 VanDerWaalsContact O-CB 3.31Å; D603-E607 WeakPolarHBondContact O-CB 3.23Å; D603-E607 PolarHBondContact O-N 2.67Å
604W88.5Confident81.3Confident156 Ų15696.6 Ų96.659%0.59147%0.468SS*.Hα-helixtrans-56-42.5172179.7-96.6000112.5A598 T600 W608A598-W604 HydrophobicContact CB-CE3 4.46Å; T600-W604 PolarHBondContact O-N 3.09Å; W604-W608 WeakPolarHBondContact O-CB 3.16Å; W604-W608 PolarHBondContact O-N 3.08Å
605I90.1Very high82.5Confident87 Ų87102.8 Ų102.845%0.44649%0.487SS..Hα-helixtrans-66.7-40.6176.4-70.3166.1000111.2K601 Q602 D603 A609K601-I605 HydrophobicContact CG-CD1 4.14Å; K601-I605 WeakPolarHBondContact O-CD1 3.44Å; K601-I605 VanDerWaalsContact O-CG1 3.23Å; K601-I605 WeakPolarHBondContact O-CG1 3.06Å; K601-I605 PolarHBondContact O-N 2.72Å; Q602-I605 PolarHBondContact O-N 2.82Å; D603-I605 VanDerWaalsContact C-N 3.29Å; D603-I605 PolarHBondContact O-N 3.06Å; I605-A609 WeakPolarHBondContact O-CB 3.38Å; I605-A609 PolarHBondContact O-N 3.15Å
606Q92.8Very high83.7Confident107 Ų107101.5 Ų101.550%0.549%0.485SS..Hα-helixtrans-66.6-44177-74.2174.889.200112.4Q602 D603 A609 R610Q602-Q606 VanDerWaalsContact O-CG 3.28Å; Q602-Q606 WeakPolarHBondContact O-CG 3.34Å; Q602-Q606 PolarHBondContact O-N 3.32Å; Q602-Q606 PolarHBondContact O-NE2 2.96Å; D603-Q606 CarbonylContact O-C 3.19Å; D603-Q606 PolarHBondContact O-N 3.05Å; D603-Q606 VanDerWaalsContact O-N 3.1Å; D603-Q606 PolarHBondContact OD1-NE2 3.2Å; Q606-A609 CarbonylContact O-C 3.6Å; Q606-A609 PolarHBondContact O-N 3.19Å; Q606-R610 WeakPolarHBondContact O-CB 3.36Å; Q606-R610 PolarHBondContact O-N 2.99Å
607E87Confident84.9Confident5 Ų598.9 Ų98.92%0.02348%0.476CS..Hα-helixtrans-66.2-46.7177.7-175.2113.4-105.300111.3L594 L595 D603 A609 R610 N611L594-E607 VanDerWaalsContact O-OE2 3.09Å; L595-E607 HydrophobicContact CD2-CG 4.33Å; D603-E607 VanDerWaalsContact O-CB 3.31Å; D603-E607 WeakPolarHBondContact O-CB 3.23Å; D603-E607 PolarHBondContact O-N 2.67Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.04Å; E607-R610 WeakPolarHBondContact O-CB 3.4Å; E607-R610 PolarHBondContact O-N 3.42Å; E607-R610 VanDerWaalsContact O-N 3.09Å; E607-R610 IonicContact OE1-CZ 2.76Å; E607-R610 IonicContact OE1-NH1 3.31Å; E607-R610 PolarHBondContact OE1-NH1 3.42Å; E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 PolarHBondContact O-N 2.81Å
608W89.7Confident85.5Confident174 Ų17497.5 Ų97.566%0.65947%0.473SS*.Hα-helixtrans-58.1-42.6172.5177.682000111.4W604 N611 A612W604-W608 WeakPolarHBondContact O-CB 3.16Å; W604-W608 PolarHBondContact O-N 3.08Å; W608-N611 PolarHBondContact O-N 3.05Å; W608-A612 WeakPolarHBondContact O-CB 3.18Å; W608-A612 PolarHBondContact O-N 3.16Å
609A93.9Very high85.5Confident23 Ų23103.4 Ų103.419%0.1950%0.497CS..Hα-helixtrans-69-30.2175.700000113.3I605 Q606 E607 R613I605-A609 WeakPolarHBondContact O-CB 3.38Å; I605-A609 PolarHBondContact O-N 3.15Å; Q606-A609 CarbonylContact O-C 3.6Å; Q606-A609 PolarHBondContact O-N 3.19Å; E607-A609 VanDerWaalsContact C-N 3.29Å; E607-A609 PolarHBondContact O-N 3.04Å; A609-R613 VanDerWaalsContact O-CG 3.23Å; A609-R613 WeakPolarHBondContact O-CG 3.27Å; A609-R613 PolarHBondContact O-N 3.02Å; A609-R613 PolarHBondContact O-NE 3.21Å
610R91.2Very high85.1Confident118 Ų11899.7 Ų99.745%0.44548%0.483SS..Hα-helixtrans-67.7-50.4173.3-172.7-170.3-64141.4-3.4109.9Q606 E607 R613 A614Q606-R610 WeakPolarHBondContact O-CB 3.36Å; Q606-R610 PolarHBondContact O-N 2.99Å; E607-R610 WeakPolarHBondContact O-CB 3.4Å; E607-R610 PolarHBondContact O-N 3.42Å; E607-R610 VanDerWaalsContact O-N 3.09Å; E607-R610 IonicContact OE1-CZ 2.76Å; E607-R610 IonicContact OE1-NH1 3.31Å; E607-R610 PolarHBondContact OE1-NH1 3.42Å; R610-R613 PolarHBondContact O-N 3.17Å; R610-A614 PolarHBondContact O-N 2.89Å
611N91.8Very high84.1Confident49 Ų49100.6 Ų100.626%0.26249%0.488SS..Hα-helixtrans-69.9-34.6-179.1-69.1-9000112.2E607 W608 A614 R615E607-N611 WeakPolarHBondContact O-CB 3.38Å; E607-N611 PolarHBondContact O-N 2.81Å; W608-N611 PolarHBondContact O-N 3.05Å; N611-A614 PolarHBondContact O-N 3.45Å; N611-R615 WeakPolarHBondContact O-CB 3.38Å; N611-R615 VanDerWaalsContact O-CG 3.28Å; N611-R615 WeakPolarHBondContact O-CG 3.35Å; N611-R615 PolarHBondContact O-N 3.02Å
612A86.2Confident83.1Confident47 Ų4796.3 Ų96.339%0.38848%0.478SS..Hα-helixtrans-61.9-43170.900000112.2W608 S616W608-A612 WeakPolarHBondContact O-CB 3.18Å; W608-A612 PolarHBondContact O-N 3.16Å; A612-S616 PolarHBondContact O-N 2.85Å; A612-S616 VanDerWaalsContact O-N 3.09Å
613R89.8Confident81.7Confident180 Ų18092.7 Ų92.768%0.67947%0.474SS*.Hα-helixtrans-65.4-44.2174.5-71174.6-139.5-159.34111.8A609 R610 R615 S616 L617A609-R613 VanDerWaalsContact O-CG 3.23Å; A609-R613 WeakPolarHBondContact O-CG 3.27Å; A609-R613 PolarHBondContact O-N 3.02Å; A609-R613 PolarHBondContact O-NE 3.21Å; R610-R613 PolarHBondContact O-N 3.17Å; R613-R615 PolarHBondContact O-N 3.43Å; R613-S616 WeakPolarHBondContact O-CB 3.09Å; R613-S616 PolarHBondContact O-N 2.84Å; R613-L617 PolarHBondContact O-N 3.27Å
614A85.9Confident80.3Confident55 Ų5594.6 Ų94.646%0.45549%0.488SS..Hα-helixtrans-59.7-46.217800000111.9R610 N611 S616 L617 A618R610-A614 PolarHBondContact O-N 2.89Å; N611-A614 PolarHBondContact O-N 3.45Å; A614-S616 VanDerWaalsContact C-N 3.33Å; A614-S616 PolarHBondContact O-N 2.91Å; A614-L617 PolarHBondContact O-N 3.13Å; A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 3.09Å
615R80.5Confident78.8Confident196 Ų19689.4 Ų89.474%0.7448%0.475SS*.Hα-helixtrans-64.6-33.9176.3-67.9176.285.91779.4112.6N611 R613 Q619N611-R615 WeakPolarHBondContact O-CB 3.38Å; N611-R615 VanDerWaalsContact O-CG 3.28Å; N611-R615 WeakPolarHBondContact O-CG 3.35Å; N611-R615 PolarHBondContact O-N 3.02Å; R613-R615 PolarHBondContact O-N 3.43Å; R615-Q619 WeakPolarHBondContact O-CG 3.15Å; R615-Q619 PolarHBondContact O-N 2.63Å
616S80.5Confident77.5Confident63 Ų6388.1 Ų88.144%0.44148%0.477SS..Hα-helixtrans-65.8-48.5172-162.80000111.7A612 R613 A614 A618 Q619 D620A612-S616 PolarHBondContact O-N 2.85Å; A612-S616 VanDerWaalsContact O-N 3.09Å; R613-S616 WeakPolarHBondContact O-CB 3.09Å; R613-S616 PolarHBondContact O-N 2.84Å; A614-S616 VanDerWaalsContact C-N 3.33Å; A614-S616 PolarHBondContact O-N 2.91Å; S616-A618 VanDerWaalsContact C-N 3.3Å; S616-A618 PolarHBondContact O-N 2.85Å; S616-Q619 PolarHBondContact O-N 3.32Å; S616-Q619 VanDerWaalsContact O-N 3.11Å; S616-D620 PolarHBondContact O-N 3.28Å
617L82Confident76.2Confident117 Ų11785.9 Ų85.961%0.61348%0.477SS*.Hα-helixtrans-57.7-42.7176.4-108.276.9000111.8R613 A614 Q619 D620 V621R613-L617 PolarHBondContact O-N 3.27Å; A614-L617 PolarHBondContact O-N 3.13Å; L617-Q619 VanDerWaalsContact C-N 3.29Å; L617-Q619 PolarHBondContact O-N 2.97Å; L617-D620 PolarHBondContact O-N 2.91Å; L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 VanDerWaalsContact O-CG2 3.31Å; L617-V621 WeakPolarHBondContact O-CG2 3.09Å; L617-V621 PolarHBondContact O-N 2.86Å
618A75.5Confident75.4Confident55 Ų5594.8 Ų94.846%0.45551%0.511SS..Hα-helixtrans-60.8-36.2177.500000112.5A614 S616 S622A614-A618 WeakPolarHBondContact O-CB 3.47Å; A614-A618 PolarHBondContact O-N 3.09Å; S616-A618 VanDerWaalsContact C-N 3.3Å; S616-A618 PolarHBondContact O-N 2.85Å; A618-S622 VanDerWaalsContact O-CB 3.25Å; A618-S622 WeakPolarHBondContact O-CB 3.39Å; A618-S622 PolarHBondContact O-N 2.82Å; A618-S622 PolarHBondContact O-OG 3.44Å
619Q69.8Low74.4Confident148 Ų14895.5 Ų95.569%0.69251%0.513SS*.Hα-helixtrans-70.3-43.4174.6-71.6-174.5600112.3R615 S616 L617 S622 G623R615-Q619 WeakPolarHBondContact O-CG 3.15Å; R615-Q619 PolarHBondContact O-N 2.63Å; S616-Q619 PolarHBondContact O-N 3.32Å; S616-Q619 VanDerWaalsContact O-N 3.11Å; L617-Q619 VanDerWaalsContact C-N 3.29Å; L617-Q619 PolarHBondContact O-N 2.97Å; Q619-S622 PolarHBondContact O-N 3.36Å; Q619-G623 PolarHBondContact O-N 2.79Å
620D69.2Low73.4Confident104 Ų104102 Ų10256%0.55654%0.537SS*.Hα-helixtrans-67.2-39178.3-75.8-46.2000112.6S616 L617 G623 T624S616-D620 PolarHBondContact O-N 3.28Å; L617-D620 PolarHBondContact O-N 2.91Å; D620-G623 PolarHBondContact O-N 2.68Å; D620-T624 WeakPolarHBondContact O-CB 3.19Å; D620-T624 WeakPolarHBondContact O-CG2 3.44Å; D620-T624 PolarHBondContact O-N 3.3Å; D620-T624 PolarHBondContact O-OG1 2.95Å
621V63.1Low72.5Confident90 Ų90102.3 Ų102.355%0.54554%0.544SS..Hα-helixtrans-67.1-37.7173.21740000111.1L617 T624 S625L617-V621 WeakPolarHBondContact O-CB 3.42Å; L617-V621 VanDerWaalsContact O-CG2 3.31Å; L617-V621 WeakPolarHBondContact O-CG2 3.09Å; L617-V621 PolarHBondContact O-N 2.86Å; V621-T624 WeakPolarHBondContact CA-OG1 3.41Å; V621-T624 PolarHBondContact O-OG1 3.17Å; V621-S625 WeakPolarHBondContact O-CB 3.36Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.29Å
622S61.1Low71.6Confident72 Ų72105.5 Ų105.550%0.50356%0.557SS.*Hα-helixtrans-65.6-43.2174-640000112.1A618 Q619 S625 A626A618-S622 VanDerWaalsContact O-CB 3.25Å; A618-S622 WeakPolarHBondContact O-CB 3.39Å; A618-S622 PolarHBondContact O-N 2.82Å; A618-S622 PolarHBondContact O-OG 3.44Å; Q619-S622 PolarHBondContact O-N 3.36Å; S622-S625 PolarHBondContact O-OG 3.41Å; S622-A626 VanDerWaalsContact O-CB 3.26Å; S622-A626 WeakPolarHBondContact O-CB 3.17Å; S622-A626 PolarHBondContact O-N 3.01Å
623G57.8Low71Confident47 Ų47109.9 Ų109.949%0.48557%0.57SS.*Hα-helixtrans-65.2-45.3177.500000113.2Q619 D620 A627Q619-G623 PolarHBondContact O-N 2.79Å; D620-G623 PolarHBondContact O-N 2.68Å; G623-A627 PolarHBondContact O-N 3.28Å; G623-A627 VanDerWaalsContact O-N 3.14Å
624T59.8Low70.3Confident93 Ų93107.9 Ų107.957%0.57157%0.568SS**Hα-helixtrans-71-40.2179.352.10000112.6D620 V621 A627 R628D620-T624 WeakPolarHBondContact O-CB 3.19Å; D620-T624 WeakPolarHBondContact O-CG2 3.44Å; D620-T624 PolarHBondContact O-N 3.3Å; D620-T624 PolarHBondContact O-OG1 2.95Å; V621-T624 WeakPolarHBondContact CA-OG1 3.41Å; V621-T624 PolarHBondContact O-OG1 3.17Å; T624-A627 PolarHBondContact O-N 2.95Å; T624-R628 WeakPolarHBondContact O-CB 3.46Å; T624-R628 PolarHBondContact O-N 3.31Å
625S57.6Low69.7Low48 Ų48110.8 Ų110.834%0.33657%0.572SS.*Hα-helixtrans-67.1-38.317663.30000112.5V621 S622 A627 R628 R629V621-S625 WeakPolarHBondContact O-CB 3.36Å; V621-S625 PolarHBondContact O-N 3.46Å; V621-S625 PolarHBondContact O-OG 3.29Å; S622-S625 PolarHBondContact O-OG 3.41Å; S625-A627 PolarHBondContact O-N 3.2Å; S625-R628 PolarHBondContact O-N 2.91Å; S625-R629 WeakPolarHBondContact O-CB 3.47Å; S625-R629 WeakPolarHBondContact O-CG 3.25Å; S625-R629 PolarHBondContact O-N 3.15Å
626A61.6Low69.3Low59 Ų59107.7 Ų107.749%0.48857%0.566SS.*Hα-helixtrans-62.2-41.8172.900000112.2S622 K630S622-A626 VanDerWaalsContact O-CB 3.26Å; S622-A626 WeakPolarHBondContact O-CB 3.17Å; S622-A626 PolarHBondContact O-N 3.01Å; A626-K630 WeakPolarHBondContact O-CB 3.5Å; A626-K630 PolarHBondContact O-N 3.36Å; A626-K630 VanDerWaalsContact O-N 3.15Å
627A66.2Low68.9Low60 Ų60107.5 Ų107.550%0.49657%0.568SS.*Hα-helixtrans-63.9-44173.500000112G623 T624 S625 K630 Q631G623-A627 PolarHBondContact O-N 3.28Å; G623-A627 VanDerWaalsContact O-N 3.14Å; T624-A627 PolarHBondContact O-N 2.95Å; S625-A627 PolarHBondContact O-N 3.2Å; A627-K630 PolarHBondContact O-N 3.47Å; A627-Q631 PolarHBondContact O-N 2.99Å
628R69.5Low68.4Low193 Ų193107.7 Ų107.773%0.72857%0.566SS**Hα-helixtrans-64.2-46.1179.8-154178.8-160.6-164.45.9111.8T624 S625 K630 Q631 Q632T624-R628 WeakPolarHBondContact O-CB 3.46Å; T624-R628 PolarHBondContact O-N 3.31Å; S625-R628 PolarHBondContact O-N 2.91Å; R628-K630 VanDerWaalsContact C-N 3.29Å; R628-K630 PolarHBondContact O-N 2.9Å; R628-Q631 PolarHBondContact O-N 2.76Å; R628-Q632 VanDerWaalsContact O-CB 3.31Å; R628-Q632 WeakPolarHBondContact O-CB 3.47Å; R628-Q632 PolarHBondContact O-N 3.18Å
629R69.9Low68.2Low189 Ų189107.2 Ų107.271%0.71356%0.562SS**Hα-helixtrans-55.7-43.7172.9-74.4-176.3-172.6-174.34.6111.4S625 Q632 Q633S625-R629 WeakPolarHBondContact O-CB 3.47Å; S625-R629 WeakPolarHBondContact O-CG 3.25Å; S625-R629 PolarHBondContact O-N 3.15Å; R629-Q632 PolarHBondContact O-N 2.81Å; R629-Q633 VanDerWaalsContact O-CB 3.28Å; R629-Q633 WeakPolarHBondContact O-CB 3.2Å; R629-Q633 PolarHBondContact O-N 2.92Å
630K71.6Confident68Low158 Ų158106 Ų10669%0.68756%0.557SS**Hα-helixtrans-68.3-35.3-179.1-157.4166.9-168.6167.50113A626 A627 R628 Q634A626-K630 WeakPolarHBondContact O-CB 3.5Å; A626-K630 PolarHBondContact O-N 3.36Å; A626-K630 VanDerWaalsContact O-N 3.15Å; A627-K630 PolarHBondContact O-N 3.47Å; R628-K630 VanDerWaalsContact C-N 3.29Å; R628-K630 PolarHBondContact O-N 2.9Å; K630-Q634 WeakPolarHBondContact O-CB 3.45Å; K630-Q634 PolarHBondContact O-N 2.78Å
631Q73Confident67.8Low125 Ų125103.4 Ų103.458%0.58455%0.549SS*.Hα-helixtrans-70.8-42.1172.8-174.1173.5-3.200111.9A627 R628 Q634 Q635A627-Q631 PolarHBondContact O-N 2.99Å; R628-Q631 PolarHBondContact O-N 2.76Å; Q631-Q634 PolarHBondContact O-N 2.99Å; Q631-Q635 PolarHBondContact O-N 3.05Å
632Q73.6Confident67.7Low116 Ų116105 Ų10554%0.54255%0.55SS.*Hα-helixtrans-66.4-41179.3-165.1171.518.500111.9R628 R629 Q634 Q635 Q636R628-Q632 VanDerWaalsContact O-CB 3.31Å; R628-Q632 WeakPolarHBondContact O-CB 3.47Å; R628-Q632 PolarHBondContact O-N 3.18Å; R629-Q632 PolarHBondContact O-N 2.81Å; Q632-Q634 VanDerWaalsContact C-N 3.3Å; Q632-Q634 PolarHBondContact O-N 2.98Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q632-Q636 PolarHBondContact O-N 3.29Å
633Q73.8Confident67.6Low140 Ų140108 Ų10865%0.65456%0.557SS**Hα-helixtrans-63.7-34.9173.1-170.7173.761.700112R629 A637R629-Q633 VanDerWaalsContact O-CB 3.28Å; R629-Q633 WeakPolarHBondContact O-CB 3.2Å; R629-Q633 PolarHBondContact O-N 2.92Å; Q633-A637 WeakPolarHBondContact O-CB 3.41Å; Q633-A637 PolarHBondContact O-N 2.69Å
634Q73.7Confident67.4Low137 Ų137112.8 Ų112.864%0.6457%0.571SS**Hα-helixtrans-71.7-32174.7-169.2163.559.300112.6K630 Q631 Q632 Q638K630-Q634 WeakPolarHBondContact O-CB 3.45Å; K630-Q634 PolarHBondContact O-N 2.78Å; Q631-Q634 PolarHBondContact O-N 2.99Å; Q632-Q634 VanDerWaalsContact C-N 3.3Å; Q632-Q634 PolarHBondContact O-N 2.98Å; Q634-Q638 WeakPolarHBondContact O-CG 3.38Å; Q634-Q638 PolarHBondContact O-N 3.23Å
635Q73.9Confident66.7Low117 Ų117115.2 Ų115.255%0.54758%0.577SS.*Hα-helixtrans-71-42.5171-73.9177.6-24.100112.3Q631 Q632 A637 Q638 A639Q631-Q635 PolarHBondContact O-N 3.05Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q635-A637 VanDerWaalsContact C-N 3.32Å; Q635-A637 PolarHBondContact O-N 3.44Å; Q635-Q638 CarbonylContact O-C 3.57Å; Q635-Q638 PolarHBondContact O-N 2.88Å; Q635-Q638 VanDerWaalsContact O-N 3.11Å; Q635-A639 PolarHBondContact O-N 3.22Å
636Q72.4Confident66.4Low131 Ų131118.3 Ų118.361%0.61259%0.594SS**Hα-helixtrans-59.8-41.1173.7-96.2-178.2-22.800112.3Q632 Q638 A639 Q640Q632-Q636 PolarHBondContact O-N 3.29Å; Q636-Q638 VanDerWaalsContact C-N 3.31Å; Q636-Q638 PolarHBondContact O-N 3.19Å; Q636-A639 PolarHBondContact O-N 3.46Å; Q636-Q640 PolarHBondContact O-N 3.24Å
637A71.3Confident65.3Low59 Ų59126.9 Ų126.949%0.48861%0.614SS.*Hα-helixtrans-61.4-37.5174.200000112.6Q633 Q635 A641Q633-A637 WeakPolarHBondContact O-CB 3.41Å; Q633-A637 PolarHBondContact O-N 2.69Å; Q635-A637 VanDerWaalsContact C-N 3.32Å; Q635-A637 PolarHBondContact O-N 3.44Å; A637-A641 VanDerWaalsContact O-CB 3.3Å; A637-A641 WeakPolarHBondContact O-CB 3.43Å; A637-A641 PolarHBondContact O-N 3.38Å; A637-A641 VanDerWaalsContact O-N 3.07Å
638Q71.8Confident63.8Low120 Ų120127.9 Ų127.956%0.56162%0.617SS**Hα-helixtrans-73.7-29.6174.7-74.2-176.8-16.200113.4Q634 Q635 Q636 Q642Q634-Q638 WeakPolarHBondContact O-CG 3.38Å; Q634-Q638 PolarHBondContact O-N 3.23Å; Q635-Q638 CarbonylContact O-C 3.57Å; Q635-Q638 PolarHBondContact O-N 2.88Å; Q635-Q638 VanDerWaalsContact O-N 3.11Å; Q636-Q638 VanDerWaalsContact C-N 3.31Å; Q636-Q638 PolarHBondContact O-N 3.19Å; Q638-Q642 WeakPolarHBondContact O-CG 3.43Å; Q638-Q642 PolarHBondContact O-N 2.99Å; Q638-Q642 PolarHBondContact O-NE2 3.2Å
639A71.3Confident62.2Low45 Ų45129.2 Ų129.237%0.37262%0.624SS.*Hα-helixtrans-69.9-47.7174.200000111.3Q635 Q636 A641 Q642 Q643Q635-A639 PolarHBondContact O-N 3.22Å; Q636-A639 PolarHBondContact O-N 3.46Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-A641 PolarHBondContact O-N 3.33Å; A639-Q642 PolarHBondContact O-N 3.06Å; A639-Q642 VanDerWaalsContact O-N 3.15Å; A639-Q643 PolarHBondContact O-N 3.08Å
640Q66.2Low60.9Low124 Ų124127.9 Ų127.958%0.57963%0.631SS**Hα-helixtrans-61.3-41.8175-71.5-177.4-6.800111.7Q636 Q642 Q643 L644Q636-Q640 PolarHBondContact O-N 3.24Å; Q640-Q642 PolarHBondContact O-N 3.14Å; Q640-Q643 PolarHBondContact O-N 3.18Å; Q640-L644 WeakPolarHBondContact O-CB 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.28Å; Q640-L644 WeakPolarHBondContact O-CG 3.11Å; Q640-L644 PolarHBondContact O-N 3.42Å
641A64.5Low59Low49 Ų49126 Ų12641%0.40564%0.636SS.*Hα-helixtrans-61.6-28.6176.100000113.7A637 A639 M645A637-A641 VanDerWaalsContact O-CB 3.3Å; A637-A641 WeakPolarHBondContact O-CB 3.43Å; A637-A641 PolarHBondContact O-N 3.38Å; A637-A641 VanDerWaalsContact O-N 3.07Å; A639-A641 VanDerWaalsContact C-N 3.34Å; A639-A641 PolarHBondContact O-N 3.33Å; A641-M645 VanDerWaalsContact O-CE 3.31Å; A641-M645 WeakPolarHBondContact O-CE 3.44Å
642Q62Low57.5Low122 Ų122125 Ų12557%0.5764%0.643SS**Hα-helixtrans-82.1-42.6175.4-76.2170.694.500112.2Q638 A639 Q640 L644 M645 T646Q638-Q642 WeakPolarHBondContact O-CG 3.43Å; Q638-Q642 PolarHBondContact O-N 2.99Å; Q638-Q642 PolarHBondContact O-NE2 3.2Å; A639-Q642 PolarHBondContact O-N 3.06Å; A639-Q642 VanDerWaalsContact O-N 3.15Å; Q640-Q642 PolarHBondContact O-N 3.14Å; Q642-L644 PolarHBondContact O-N 3.26Å; Q642-M645 PolarHBondContact O-N 3.08Å; Q642-T646 PolarHBondContact O-N 2.94Å
643Q58.4Low55.7Low135 Ų135126.6 Ų126.663%0.63166%0.655SS**Hα-helixtrans-59.9-32.6174.5-71.5179.5-11.200112.6A639 Q640 M645A639-Q643 PolarHBondContact O-N 3.08Å; Q640-Q643 PolarHBondContact O-N 3.18Å; Q643-M645 VanDerWaalsContact C-N 3.28Å; Q643-M645 PolarHBondContact O-N 2.86Å
644L52.8Low54.1Low149 Ų149126.2 Ų126.278%0.7866%0.663SS**THydrogen-bonded Turntrans-73.3-12.2174.4-71.8168.7000114.3Q640 Q642Q640-L644 WeakPolarHBondContact O-CB 3.38Å; Q640-L644 VanDerWaalsContact O-CG 3.28Å; Q640-L644 WeakPolarHBondContact O-CG 3.11Å; Q640-L644 PolarHBondContact O-N 3.42Å; Q642-L644 PolarHBondContact O-N 3.26Å
645M44.8Very low52.3Low144 Ų144123.6 Ų123.671%0.70967%0.672SS**THydrogen-bonded Turntrans-101-5.8177.7-78-168.6-73.800114.3A641 Q642 Q643A641-M645 VanDerWaalsContact O-CE 3.31Å; A641-M645 WeakPolarHBondContact O-CE 3.44Å; Q642-M645 PolarHBondContact O-N 3.08Å; Q643-M645 VanDerWaalsContact C-N 3.28Å; Q643-M645 PolarHBondContact O-N 2.86Å
646T53.1Low50.9Low112 Ų112121.7 Ų121.769%0.68768%0.684SS**SBendtrans-121.76-173.760.50000115.2Q642Q642-T646 PolarHBondContact O-N 2.94Å
647R38.4Very low49.3Very low240 Ų240123.3 Ų123.391%0.90670%0.697SS**  trans-114.563.4172.7-96177.668.5-145.46.2112.2
648S34.3Very low47.8Very low81 Ų81125.7 Ų125.757%0.56671%0.71SS**  trans-108.2143.4160.350.30000109.4
649Y36.2Very low46.7Very low221 Ų221127.4 Ų127.487%0.86772%0.722SS**  trans6594.1180-47.5-76.1000115.9
650N41.2Very low45.6Very low161 Ų161131.9 Ų131.986%0.86175%0.745SS**  -149.2122.3128.3-144.219000108.8
651C31.8Very low44.1Very low118 Ų118133.2 Ų133.280%0.79776%0.756SS**  trans-132.592.8-176.5-640000109.6
652S42.5Very low43.4Very low105 Ų105138.1 Ų138.173%0.73478%0.776SS**  trans-152.3121.2163-55.70000104.6
653D34.7Very low42.6Very low148 Ų148137.6 Ų137.679%0.79179%0.786SS**  78.6137.454.1-165.523.6000112
654T41.3Very low41.9Very low133 Ų133138.2 Ų138.282%0.81679%0.792SS**  trans60.2146.5-155.2720000114.5
655G36.4Very low41.6Very low81 Ų81136.2 Ų136.284%0.83579%0.791SS**  cis127.9105.1-1.400000111.4
656G42.7Very low41.7Very low78 Ų78135.8 Ų135.880%0.80479%0.791SS**  trans161.3135.9175.900000114
657D39Very low41.3Very low164 Ų164139.4 Ų139.488%0.87779%0.793SS**  trans-93.5140.1-174.8-54.3-84.2000113.9
658S41Very low41.7Very low109 Ų109132 Ų13276%0.76277%0.772SS**  trans179.5116.9150.7-80.60000108
659L48.4Very low42.2Very low156 Ų156133.8 Ų133.882%0.81777%0.771SS**  75.2130.673.7-71.6170.3000113.5
660T48.3Very low42.7Very low139 Ų139131.2 Ų131.285%0.85377%0.767SS**  trans59.4106.2-171.862.20000113.3
661D35.4Very low43Very low152 Ų152131.4 Ų131.481%0.81376%0.756SS**  cis79.5160.245.3-145.5-2.1000114.1S663D661-S663 PolarHBondContact O-N 2.93Å
662D48.1Very low43.6Very low152 Ų152132.8 Ų132.881%0.81375%0.75SS**SBendtrans61.535.6177.7-78.4-33.2000118.5
663S45.9Very low43.5Very low111 Ų111136.9 Ų136.978%0.77675%0.751SS**  trans-145.10.1173-82.10000118.7D661D661-S663 PolarHBondContact O-N 2.93Å
664L43.7Very low44Very low148 Ų148132.5 Ų132.578%0.77574%0.735SS**SBendtrans-94.8-7.4-174.3-78.1168.3000116.2N668L664-N668 PolarHBondContact O-ND2 3.49Å
665S47.1Very low44.3Very low107 Ų107128.2 Ų128.275%0.74871%0.714SS**SBendtrans-74.3-46.6-175.4-163.60000113.1Y667 N668S665-Y667 VanDerWaalsContact C-N 3.26Å; S665-Y667 PolarHBondContact O-N 2.89Å; S665-N668 PolarHBondContact O-N 2.87Å; S665-N668 VanDerWaalsContact O-N 3.07Å
666L47Very low44.8Very low136 Ų136127.8 Ų127.871%0.71270%0.702SS**Hα-helixtrans-62-31.1-173.9-165.164.8000113.2N668L666-N668 VanDerWaalsContact C-N 3.27Å; L666-N668 PolarHBondContact O-N 3.42Å
667Y43.1Very low45Very low187 Ų187128.3 Ų128.373%0.73370%0.699SS**Hα-helixtrans-76.6-9.8-179.7-138.3-89.8000114.2S665S665-Y667 VanDerWaalsContact C-N 3.26Å; S665-Y667 PolarHBondContact O-N 2.89Å
668N47.2Very low45.4Very low85 Ų85127.8 Ų127.846%0.45569%0.689SS.*Hα-helixtrans-92.7-35.9174-81.3-65.6000112.6L664 S665 L666 Q670 R671 Q672L664-N668 PolarHBondContact O-ND2 3.49Å; S665-N668 PolarHBondContact O-N 2.87Å; S665-N668 VanDerWaalsContact O-N 3.07Å; L666-N668 VanDerWaalsContact C-N 3.27Å; L666-N668 PolarHBondContact O-N 3.42Å; N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 PolarHBondContact O-N 3.01Å; N668-R671 WeakPolarHBondContact O-CB 3.27Å; N668-R671 PolarHBondContact O-N 3.22Å; N668-Q672 PolarHBondContact O-N 3.16Å
669Q45.8Very low45.5Very low119 Ų119128.6 Ų128.656%0.55668%0.684SS**Hα-helixtrans-57.8-45.1-180-162.7179.347.800111.7R671 Q672 Y673Q669-R671 PolarHBondContact O-N 3.42Å; Q669-Q672 PolarHBondContact O-N 3.5Å; Q669-Y673 HydrophobicContact CG-CE2 4.43Å; Q669-Y673 WeakPolarHBondContact O-CD2 3.28Å
670Q45.4Very low45.4Very low167 Ų167128.6 Ų128.678%0.7869%0.685SS**Hα-helixtrans-68.5-14.8177.6-162.5163.94100113.9N668N668-Q670 VanDerWaalsContact C-N 3.34Å; N668-Q670 PolarHBondContact O-N 3.01Å
671R47.3Very low45.2Very low165 Ų165130.1 Ų130.162%0.62368%0.675SS**Hα-helixtrans-84.1-25.8174.3-151.7-170.7-60-1456.6112.8N668 Q669 A674 A675N668-R671 WeakPolarHBondContact O-CB 3.27Å; N668-R671 PolarHBondContact O-N 3.22Å; Q669-R671 PolarHBondContact O-N 3.42Å; R671-A674 PolarHBondContact O-N 2.8Å; R671-A675 PolarHBondContact O-N 3.22Å
672Q45.7Very low45.5Very low146 Ų146127.3 Ų127.368%0.68266%0.66SS**Hα-helixtrans-76-34.1-176.2-66.4-162.44.300113.6N668 Q669 A674 A675 A676N668-Q672 PolarHBondContact O-N 3.16Å; Q669-Q672 PolarHBondContact O-N 3.5Å; Q672-A674 PolarHBondContact O-N 3.31Å; Q672-A675 WeakPolarHBondContact O-CA 3.27Å; Q672-A675 WeakPolarHBondContact O-CB 3.2Å; Q672-A675 PolarHBondContact O-N 2.87Å; Q672-A676 PolarHBondContact O-N 3.2Å
673Y40.8Very low45.4Very low191 Ų191126.2 Ų126.275%0.74965%0.654SS**THydrogen-bonded Turntrans-61.5-24170.6-67.2-76.3000113Q669Q669-Y673 HydrophobicContact CG-CE2 4.43Å; Q669-Y673 WeakPolarHBondContact O-CD2 3.28Å
674A45.5Very low45.3Very low56 Ų56125 Ų12546%0.46365%0.65SS.*THydrogen-bonded Turntrans-87-5.5171.200000114.3R671 Q672R671-A674 PolarHBondContact O-N 2.8Å; Q672-A674 PolarHBondContact O-N 3.31Å
675A46.6Very low45.4Very low44 Ų44123.3 Ų123.336%0.36464%0.638SS.*THydrogen-bonded Turntrans-93.5-31.3177.200000112.7R671 Q672 A677 K678R671-A675 PolarHBondContact O-N 3.22Å; Q672-A675 WeakPolarHBondContact O-CA 3.27Å; Q672-A675 WeakPolarHBondContact O-CB 3.2Å; Q672-A675 PolarHBondContact O-N 2.87Å; A675-A677 PolarHBondContact O-N 2.8Å; A675-K678 PolarHBondContact O-N 3.44Å
676A46.2Very low45.4Very low71 Ų71127.6 Ų127.659%0.58764%0.638SS**G310 helixtrans-52.9-37.317400000112.5Q672 K678Q672-A676 PolarHBondContact O-N 3.2Å; A676-K678 PolarHBondContact O-N 3.18Å; A676-K678 VanDerWaalsContact O-N 3.12Å
677A48.3Very low45.2Very low90 Ų90131.4 Ų131.474%0.74465%0.645SS**G310 helixtrans-69.5-0.8175.500000115.3A675A675-A677 PolarHBondContact O-N 2.8Å
678K46.6Very low45.4Very low152 Ų152133.3 Ų133.366%0.66165%0.65SS**G310 helixtrans-121.9-14-173.3-64.5179-177.9172.70114.7A675 A676 N680 R681A675-K678 PolarHBondContact O-N 3.44Å; A676-K678 PolarHBondContact O-N 3.18Å; A676-K678 VanDerWaalsContact O-N 3.12Å; K678-N680 VanDerWaalsContact C-N 3.26Å; K678-N680 PolarHBondContact O-N 2.69Å; K678-R681 PolarHBondContact O-N 2.96Å
679L42.4Very low45Very low127 Ų127136.7 Ų136.767%0.66567%0.667SS**G310 helixtrans-67.1-25.9-179.6-66.8175.6000113.1R681 N682L679-R681 PolarHBondContact O-N 3.48Å; L679-N682 PolarHBondContact O-N 3.01Å
680N46.6Very low44.9Very low156 Ų156139.2 Ų139.283%0.83468%0.684SS**G310 helixtrans-62.5-5.9173.8-99.2-67.3000115.2K678K678-N680 VanDerWaalsContact C-N 3.26Å; K678-N680 PolarHBondContact O-N 2.69Å
681R45.5Very low44.6Very low170 Ų170134.9 Ų134.964%0.64268%0.684SS**G310 helixtrans-90.1-31.8176.6-172.6174.4169.2121.99.3113.9K678 L679 L683 A684 E685K678-R681 PolarHBondContact O-N 2.96Å; L679-R681 PolarHBondContact O-N 3.48Å; R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 2.71Å; R681-A684 PolarHBondContact O-N 3.43Å; R681-E685 IonicContact CZ-OE1 2.64Å; R681-E685 VanDerWaalsContact CZ-OE1 3.31Å; R681-E685 IonicContact NE-OE1 2.73Å; R681-E685 PolarHBondContact NE-OE1 3.4Å; R681-E685 IonicContact NH2-OE1 3.71Å; R681-E685 PolarHBondContact NH2-OE1 2.96Å
682N40.4Very low44.3Very low93 Ų93132.6 Ų132.650%0.49768%0.684SS.*THydrogen-bonded Turntrans-82.61.1-168.8-72.2-46.7000115.2L679L679-N682 PolarHBondContact O-N 3.01Å
683L46.3Very low44.1Very low130 Ų130131.8 Ų131.868%0.68169%0.693SS**THydrogen-bonded Turntrans-85.5-29.7170.8-147.174.3000112.1R681R681-L683 VanDerWaalsContact C-N 3.3Å; R681-L683 PolarHBondContact O-N 2.71Å
684A44Very low43.8Very low85 Ų85130 Ų13070%0.70270%0.696SS**THydrogen-bonded Turntrans-81-15.6-173.200000114.7R681R681-A684 PolarHBondContact O-N 3.43Å
685E46.8Very low43.4Very low112 Ų112138.3 Ų138.352%0.52372%0.717SS.*THydrogen-bonded Turntrans-100.3-7.6-175.2-64.3-178.6-168.700113.2R681R681-E685 IonicContact CZ-OE1 2.64Å; R681-E685 VanDerWaalsContact CZ-OE1 3.31Å; R681-E685 IonicContact NE-OE1 2.73Å; R681-E685 PolarHBondContact NE-OE1 3.4Å; R681-E685 IonicContact NH2-OE1 3.71Å; R681-E685 PolarHBondContact NH2-OE1 2.96Å
686R45.8Very low42.9Very low197 Ų197140.1 Ų140.174%0.74373%0.732SS**SBendtrans-92.9-3.1-177-78.1-164-77.8178.4-1117
687Y44.1Very low42.5Very low217 Ų217142.4 Ų142.485%0.85174%0.744SS**SBendtrans-118.140.1179.4-75.9-77.8000113.1
688R46.4Very low42Very low226 Ų226144.6 Ų144.685%0.85374%0.743SS**SBendtrans-131.514.7-174.8-144.3-171.6171.5101.44.3116
689L39.8Very low41.7Very low156 Ų156142.7 Ų142.782%0.81775%0.747SS**  trans-129.4145.5170.5-117.276000109
690L41.9Very low41.3Very low173 Ų173140.5 Ų140.591%0.90675%0.747SS**  trans63.5130-169.2-64.767.7000113.1
691G40.7Very low41Very low75 Ų75140.9 Ų140.977%0.77375%0.748SS**  cis177.3131.3-9.900000109.9
692D40.6Very low40.6Very low117 Ų117139.6 Ų139.663%0.62676%0.764SS**  trans-129.7156.3176-90.9-40.1000109R524R524-D692 IonicContact CZ-OD2 2.86Å; R524-D692 IonicContact NE-OD2 3.6Å; R524-D692 IonicContact NH2-OD2 3.89Å; R524-D692 PolarHBondContact NH2-OD2 2.77Å
693C41Very low40.5Very low129 Ų129140.1 Ų140.187%0.87277%0.774SS**  trans98.787.5173.1-58.70000117.6
694D35.4Very low40.1Very low153 Ų153143 Ų14382%0.81878%0.784SS**  trans-71.7143.8149.4-58.3-67.2000110.8
695Y36.4Very low39.7Very low231 Ų231142.7 Ų142.791%0.90679%0.789SS**  -177.9151.2112.5-118.2-99.8000113.3
696A35.4Very low39.2Very low82 Ų82141.1 Ų141.168%0.67880%0.803SS**  trans-44.4141.2-174.500000118.6
697S38.3Very low38.6Very low120 Ų120135.9 Ų135.984%0.83981%0.81SS**  -178.6133.3103.7-71.30000112.3
698D37.3Very low38.2Very low135 Ų135129.7 Ų129.772%0.72281%0.812SS**  trans-81.6152.4164.5-169.945.2000109.6A700D698-A700 VanDerWaalsContact CG-N 3.34Å; D698-A700 PolarHBondContact OD1-N 3.16Å; D698-A700 VanDerWaalsContact OD1-N 3.08Å; D698-A700 PolarHBondContact OD2-N 2.83Å; D698-A700 VanDerWaalsContact OD2-N 3.12Å
699P41Very low37.7Very low113 Ų113123 Ų12373%0.73481%0.814SS**  -142.5130.295.534.9-18.8000114.8L701P699-L701 PolarHBondContact O-N 3.4Å; P699-L701 VanDerWaalsContact O-N 3.08Å
700A34.5Very low37.6Very low81 Ų81119.1 Ų119.167%0.66981%0.812SS**  trans-72.195.2172.700000113.3D698D698-A700 VanDerWaalsContact CG-N 3.34Å; D698-A700 PolarHBondContact OD1-N 3.16Å; D698-A700 VanDerWaalsContact OD1-N 3.08Å; D698-A700 PolarHBondContact OD2-N 2.83Å; D698-A700 VanDerWaalsContact OD2-N 3.12Å
701L39.2Very low37.6Very low164 Ų164119.4 Ų119.486%0.85981%0.808SS**  trans-145.9108.6162.6-78.9-176.6000112.9P699P699-L701 PolarHBondContact O-N 3.4Å; P699-L701 VanDerWaalsContact O-N 3.08Å
702C38.4Very low37.4Very low143 Ų143121.3 Ų121.397%0.96681%0.805SS**  trans-167141.9132.7-1210000110.1
703S37.1Very low37.4Very low103 Ų103123.2 Ų123.272%0.7281%0.814SS**  trans-125.8157.2-171-172.90000112.5
704H38.9Very low37.3Very low191 Ų191125.6 Ų125.688%0.88481%0.812SS**  trans64.7136.2160.7-97.7-70.9000121.2
705G35.4Very low37.6Very low79 Ų79122.7 Ų122.781%0.81480%0.802SS**  trans113.6115156.300000114.7
706G35.3Very low37.6Very low78 Ų78115.2 Ų115.280%0.80480%0.795SS**  cis152.2118.5-10.200000112.7
707G33.6Very low37.7Very low88 Ų88122 Ų12291%0.90781%0.805SS**  trans84.6121173.800000114.8
708G34.7Very low37.9Very low86 Ų86125.7 Ų125.789%0.88781%0.806SS**  trans158.483.3178.800000112
709G36.1Very low38.2Very low87 Ų87125 Ų12590%0.89781%0.808SS**  trans-95.5149.5173.900000111.8
710G39.2Very low38.6Very low74 Ų74125 Ų12576%0.76381%0.808SS**  trans145.4105.3173.100000114.3
711Q40.5Very low39Very low178 Ų178130.8 Ų130.883%0.83282%0.818SS**  trans16.3106.9155-62.6-72.419.700119.8
712V37.6Very low38.9Very low116 Ų116128.4 Ų128.470%0.70382%0.815SS**  trans32.4135.3131.2-159.50000120.8
713L40.4Very low39.3Very low157 Ų157127.6 Ų127.682%0.82281%0.808SS**  trans92.3116.7169.2-67.3118.6000118.3
714E38.1Very low39.7Very low179 Ų179127.8 Ų127.884%0.83681%0.809SS**  trans59.7174.6164.9-76.6-80.686.700116.7
715P42.4Very low39.9Very low91 Ų91128.4 Ų128.459%0.59181%0.81SS**  -125.7170.9-5334.2-20.7000113.6
716G36Very low40.3Very low74 Ų74132.3 Ų132.376%0.76381%0.81SS**  trans94.2169.1171.300000114.6
717Y38.1Very low40.9Very low226 Ų226134.6 Ų134.689%0.88681%0.811SS**  cis-135.3179.417.3-90.7-102.6000113.9
718K41.5Very low41.1Very low197 Ų197135.2 Ų135.286%0.85780%0.801SS**  trans-98.9152.3-168.2-51.7161-173.8169.60113.3
719P45.2Very low41.7Very low119 Ų119137.4 Ų137.477%0.77380%0.8SS**  trans-120.1-178.2142.242.6-33.3000110.4
720P47.8Very low42.1Very low113 Ų113140.3 Ų140.373%0.73479%0.794SS**  -130147.9-98.128.1-5.8000117.9
721K44.4Very low42Very low204 Ų204144.2 Ų144.289%0.88779%0.792SS**  trans40.199.1145.3-62.1177.1-179.8174.60118.8
722S36.5Very low41.8Very low113 Ų113141.2 Ų141.279%0.7979%0.786SS**  trans-97.4137.5176.5-35.40000114.6
723P46.1Very low41.8Very low126 Ų126144 Ų14482%0.81880%0.796SS**  trans-94.9122.2158.333.3-26.5000109.8
724S45.5Very low41.5Very low107 Ų107140 Ų14075%0.74879%0.793SS**  cis78.581.228.1-158.40000115.6
725K44.6Very low41.4Very low205 Ų205144 Ų14489%0.89180%0.8SS**  trans174.181.6139-97.5171.6-178.8178.70113.4
726I43.8Very low40.9Very low161 Ų161143.9 Ų143.983%0.82681%0.807SS**SBendtrans-134.1129.6151.4-60-177000105.6
727P47.4Very low40.7Very low125 Ų125151.8 Ų151.881%0.81281%0.814SS**PPolyproline II helixtrans-76.6142.1-160.728.4-35.5000114.5
728S38Very low40.5Very low102 Ų102146.4 Ų146.471%0.71381%0.809SS**PPolyproline II helixtrans-69.9143.3-178.9-42.70000113.5L730S728-L730 PolarHBondContact O-N 3.06Å
729P46.7Very low40Very low131 Ų131141.8 Ų141.885%0.85181%0.808SS**PPolyproline II helixtrans-62.9121.3157.5-16.531000109.4
730L43.5Very low39.2Very low149 Ų149141.5 Ų141.578%0.7881%0.808SS**PPolyproline II helixtrans-73.9136.4-174.4-83.3161.5000113.2S728S728-L730 PolarHBondContact O-N 3.06Å
731H37.5Very low38.7Very low155 Ų155148.2 Ų148.272%0.71882%0.819SS**  trans9.6114.9146.5-58.6135.9000117.4
732T36.4Very low38.3Very low115 Ų115143.4 Ų143.471%0.70681%0.811SS**  47104.685.965.30000114.9
733L37.1Very low38.4Very low174 Ų174148.6 Ų148.691%0.91181%0.813SS**  -169.3132.8122.6-127.172.9000112.3
734G34.8Very low38.4Very low73 Ų73147.3 Ų147.375%0.75381%0.805SS**  trans84139.614000000121.8
735R35.6Very low38.4Very low263 Ų263145.1 Ų145.199%0.99279%0.79SS**  trans73160153.3-104.5174.2-166.6-123-1.4119.5
736A32.4Very low38.9Very low89 Ų89140.6 Ų140.674%0.73678%0.78SS**  trans-128.9168.7-164.300000113
737R31.5Very low39.9Very low241 Ų241137.9 Ų137.991%0.90977%0.767SS**  trans81.9150.6174.5-56.9-175.4170.1-145.1-2.9116.9
738S33.4Very low41Very low113 Ų113134 Ų13479%0.7975%0.745SS**  trans80.3102.2161.6-58.20000119.8
739A30.9Very low42.6Very low100 Ų100136.3 Ų136.383%0.82674%0.739SS**  64.3143.1128.300000122.3
740S30Very low44.3Very low112 Ų112135.2 Ų135.278%0.78373%0.725SS**  trans63.585156.5-150.10000118.3
741R36.5Very low46.1Very low254 Ų254134.9 Ų134.996%0.95872%0.72SS**  -104.7125.6129-91.6-174.9165.7-130-4.1108.1
742S36Very low48Very low103 Ų103134.2 Ų134.272%0.7272%0.717SS**PPolyproline II helixtrans-70.4145.9-167.849.10000111.5
743R38.7Very low50.2Low223 Ų223131.2 Ų131.284%0.84270%0.698SS**PPolyproline II helixtrans-53.7147.9147.8-65.5176.4175.1178.7-2.6106.7S745R743-S745 PolarHBondContact O-N 3.02Å
744P46Very low52.3Low98 Ų98125.4 Ų125.464%0.63668%0.676SS**PPolyproline II helixtrans-49.6127.2159.625-33000106.5A748P744-A748 HydrophobicContact CB-CB 4.46Å
745S45.7Very low54.7Low61 Ų61124.3 Ų124.343%0.42766%0.659SS.*PPolyproline II helixtrans-55150.5178.249.70000107.9R743 D747 A748 Y749R743-S745 PolarHBondContact O-N 3.02Å; S745-D747 PolarHBondContact O-N 2.86Å; S745-D747 VanDerWaalsContact O-N 3.09Å; S745-A748 PolarHBondContact O-N 3.06Å; S745-A748 WeakPolarHBondContact OG-CB 3.37Å; S745-A748 PolarHBondContact OG-N 3.5Å; S745-Y749 PolarHBondContact O-N 3.42Å; S745-Y749 VanDerWaalsContact O-N 3.13Å
746T55.2Low56.9Low111 Ų111114.7 Ų114.768%0.68164%0.636SS**Hα-helixtrans-51.7-34.2170.729.50000109.9Y749 L750T746-Y749 PolarHBondContact O-N 3.01Å; T746-L750 WeakPolarHBondContact O-CB 3.21Å; T746-L750 WeakPolarHBondContact O-CD1 3.39Å; T746-L750 WeakPolarHBondContact O-CG 3.25Å; T746-L750 PolarHBondContact O-N 3.43Å
747D65.5Low59.2Low104 Ų104114.3 Ų114.356%0.55662%0.621SS**Hα-helixtrans-63.8-45.8173.3-45.8-59.5000113.5S745 Y749 L750 E751S745-D747 PolarHBondContact O-N 2.86Å; S745-D747 VanDerWaalsContact O-N 3.09Å; D747-Y749 VanDerWaalsContact C-N 3.32Å; D747-Y749 PolarHBondContact O-N 2.95Å; D747-L750 CarbonylContact O-C 3.28Å; D747-L750 PolarHBondContact O-N 3.12Å; D747-E751 WeakPolarHBondContact O-CB 3.38Å; D747-E751 PolarHBondContact O-N 3.44Å
748A69.9Low61.7Low42 Ų42105.2 Ų105.235%0.34759%0.594SS.*Hα-helixtrans-63-37.1177.300000112.6P744 S745 Q752P744-A748 HydrophobicContact CB-CB 4.46Å; S745-A748 PolarHBondContact O-N 3.06Å; S745-A748 WeakPolarHBondContact OG-CB 3.37Å; S745-A748 PolarHBondContact OG-N 3.5Å; A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 3.44Å
749Y71.2Confident64Low152 Ų152104.9 Ų104.960%0.59658%0.584SS**Hα-helixtrans-73.9-36.8173.8-171.9-95.4000112.1S745 T746 D747 T753S745-Y749 PolarHBondContact O-N 3.42Å; S745-Y749 VanDerWaalsContact O-N 3.13Å; T746-Y749 PolarHBondContact O-N 3.01Å; D747-Y749 VanDerWaalsContact C-N 3.32Å; D747-Y749 PolarHBondContact O-N 2.95Å; Y749-T753 WeakPolarHBondContact O-CB 3.21Å; Y749-T753 PolarHBondContact O-N 3.46Å; Y749-T753 PolarHBondContact O-OG1 3.46Å
750L82.1Confident66.5Low107 Ų107104.9 Ų104.956%0.5657%0.569SS**Hα-helixtrans-66.6-35.2173.3-77.9165.1000112T746 D747 T753 A754T746-L750 WeakPolarHBondContact O-CB 3.21Å; T746-L750 WeakPolarHBondContact O-CD1 3.39Å; T746-L750 WeakPolarHBondContact O-CG 3.25Å; T746-L750 PolarHBondContact O-N 3.43Å; D747-L750 CarbonylContact O-C 3.28Å; D747-L750 PolarHBondContact O-N 3.12Å; L750-T753 CarbonylContact O-C 3.3Å; L750-T753 PolarHBondContact O-N 3.31Å; L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.14Å
751E81.1Confident68.8Low142 Ų142105.1 Ų105.166%0.66456%0.558SS**Hα-helixtrans-76.5-42.6179.4-176170.5-149.200110.8D747 T753 A754 A755D747-E751 WeakPolarHBondContact O-CB 3.38Å; D747-E751 PolarHBondContact O-N 3.44Å; E751-T753 VanDerWaalsContact C-N 3.26Å; E751-T753 PolarHBondContact O-N 2.92Å; E751-A754 CarbonylContact O-C 3.59Å; E751-A754 PolarHBondContact O-N 2.88Å; E751-A754 VanDerWaalsContact O-N 3.16Å; E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.48Å
752Q78.9Confident70.7Confident142 Ų14297.6 Ų97.666%0.66453%0.534SS*.Hα-helixtrans-60.4-39.1168.3-169.3177.62100111.2A748 A756A748-Q752 WeakPolarHBondContact O-CB 3.34Å; A748-Q752 PolarHBondContact O-N 3.44Å; Q752-A756 WeakPolarHBondContact O-CB 3.47Å; Q752-A756 PolarHBondContact O-N 3.15Å
753T82.3Confident72.4Confident51 Ų5194.8 Ų94.831%0.31351%0.514SS..Hα-helixtrans-67.2-38.3173.7-60.40000111.8Y749 L750 E751 A756 I757Y749-T753 WeakPolarHBondContact O-CB 3.21Å; Y749-T753 PolarHBondContact O-N 3.46Å; Y749-T753 PolarHBondContact O-OG1 3.46Å; L750-T753 CarbonylContact O-C 3.3Å; L750-T753 PolarHBondContact O-N 3.31Å; E751-T753 VanDerWaalsContact C-N 3.26Å; E751-T753 PolarHBondContact O-N 2.92Å; T753-A756 PolarHBondContact O-N 2.92Å; T753-I757 HydrophobicContact CG2-CD1 3.81Å; T753-I757 HydrophobicContact CG2-CG1 4.44Å; T753-I757 WeakPolarHBondContact O-CB 3.49Å; T753-I757 VanDerWaalsContact O-CG1 3.22Å; T753-I757 WeakPolarHBondContact O-CG1 3.36Å; T753-I757 PolarHBondContact O-N 3.22Å
754A80.7Confident73.9Confident53 Ų5388.7 Ų88.744%0.43850%0.498SS..Hα-helixtrans-71.1-37.5177.800000111.7L750 E751 I757 S758L750-A754 WeakPolarHBondContact O-CB 3.42Å; L750-A754 PolarHBondContact O-N 3.14Å; E751-A754 CarbonylContact O-C 3.59Å; E751-A754 PolarHBondContact O-N 2.88Å; E751-A754 VanDerWaalsContact O-N 3.16Å; A754-I757 PolarHBondContact O-N 3.35Å; A754-S758 WeakPolarHBondContact O-CB 3.41Å; A754-S758 PolarHBondContact O-N 2.86Å
755A84.4Confident74.8Confident49 Ų4987.9 Ų87.941%0.40549%0.494SS..Hα-helixtrans-65.8-39.7171.900000111.4E751 S758 N759E751-A755 WeakPolarHBondContact O-CB 3.46Å; E751-A755 PolarHBondContact O-N 3.48Å; A755-S758 PolarHBondContact O-N 3.06Å; A755-N759 WeakPolarHBondContact O-CB 3.42Å; A755-N759 PolarHBondContact O-N 3.27Å; A755-N759 PolarHBondContact O-ND2 3.46Å
756A82Confident75.3Confident61 Ų6194.5 Ų94.550%0.50451%0.51SS..Hα-helixtrans-65.5-43.5172.500000112Q752 T753 N759 L760Q752-A756 WeakPolarHBondContact O-CB 3.47Å; Q752-A756 PolarHBondContact O-N 3.15Å; T753-A756 PolarHBondContact O-N 2.92Å; A756-N759 PolarHBondContact O-N 3.1Å; A756-L760 VanDerWaalsContact O-CB 3.32Å; A756-L760 WeakPolarHBondContact O-CB 3.37Å; A756-L760 PolarHBondContact O-N 2.89Å
757I81.6Confident74.8Confident81 Ų8198.3 Ų98.342%0.41551%0.512SS..Hα-helixtrans-65.8-38.7175.2-71.7167.9000111.2T753 A754 L760 Q761T753-I757 HydrophobicContact CG2-CD1 3.81Å; T753-I757 HydrophobicContact CG2-CG1 4.44Å; T753-I757 WeakPolarHBondContact O-CB 3.49Å; T753-I757 VanDerWaalsContact O-CG1 3.22Å; T753-I757 WeakPolarHBondContact O-CG1 3.36Å; T753-I757 PolarHBondContact O-N 3.22Å; A754-I757 PolarHBondContact O-N 3.35Å; I757-L760 PolarHBondContact O-N 3Å; I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.17Å; I757-Q761 VanDerWaalsContact O-CG 3.28Å; I757-Q761 WeakPolarHBondContact O-CG 3.37Å; I757-Q761 PolarHBondContact O-N 3.21Å
758S84.4Confident73.8Confident51 Ų5197.6 Ų97.636%0.35752%0.515SS..Hα-helixtrans-66.4-44.1176.7178.80000111.4A754 A755 L760 Q761 Q762A754-S758 WeakPolarHBondContact O-CB 3.41Å; A754-S758 PolarHBondContact O-N 2.86Å; A755-S758 PolarHBondContact O-N 3.06Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 3.37Å; S758-Q761 PolarHBondContact O-N 3.39Å; S758-Q762 WeakPolarHBondContact O-CB 3.32Å; S758-Q762 WeakPolarHBondContact O-CG 3.49Å; S758-Q762 PolarHBondContact O-N 2.92Å
759N80.2Confident72.5Confident105 Ų105100 Ų10056%0.56153%0.53SS*.Hα-helixtrans-62.7-41171.8-83.4-79.6000111.8A755 A756 Q762 S763A755-N759 WeakPolarHBondContact O-CB 3.42Å; A755-N759 PolarHBondContact O-N 3.27Å; A755-N759 PolarHBondContact O-ND2 3.46Å; A756-N759 PolarHBondContact O-N 3.1Å; N759-Q762 PolarHBondContact O-N 3.43Å; N759-S763 WeakPolarHBondContact O-CB 3.44Å; N759-S763 PolarHBondContact O-N 2.82Å
760L83.7Confident70.8Confident101 Ų10199 Ų9953%0.52954%0.539SS..Hα-helixtrans-63.7-45.2175.8-172.166.7000111.1A756 I757 S758 S763 L764A756-L760 VanDerWaalsContact O-CB 3.32Å; A756-L760 WeakPolarHBondContact O-CB 3.37Å; A756-L760 PolarHBondContact O-N 2.89Å; I757-L760 PolarHBondContact O-N 3Å; S758-L760 VanDerWaalsContact C-N 3.34Å; S758-L760 PolarHBondContact O-N 3.37Å; L760-S763 CarbonylContact O-C 3.57Å; L760-S763 PolarHBondContact O-N 3.18Å; L760-S763 PolarHBondContact O-OG 3.43Å; L760-L764 HydrophobicContact CG-CD1 3.99Å; L760-L764 WeakPolarHBondContact O-CB 3.33Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.8Å
761Q78.2Confident68.5Low117 Ų117102.5 Ų102.555%0.54755%0.549SS..Hα-helixtrans-61.6-44.3175-77.3177.21.200111.8I757 S758 S763 L764 S765I757-Q761 HydrophobicContact CG2-CG 4.3Å; I757-Q761 WeakPolarHBondContact O-CB 3.17Å; I757-Q761 VanDerWaalsContact O-CG 3.28Å; I757-Q761 WeakPolarHBondContact O-CG 3.37Å; I757-Q761 PolarHBondContact O-N 3.21Å; S758-Q761 PolarHBondContact O-N 3.39Å; Q761-S763 VanDerWaalsContact C-N 3.32Å; Q761-S763 PolarHBondContact O-N 2.89Å; Q761-L764 CarbonylContact O-C 3.59Å; Q761-L764 PolarHBondContact O-N 3.16Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; Q761-S765 PolarHBondContact O-N 3.07Å; Q761-S765 PolarHBondContact O-OG 3.44Å
762Q76.5Confident66.3Low95 Ų95100.8 Ų100.844%0.44455%0.553SS.*Hα-helixtrans-61.8-39.6173.1-73.4-176.148.500112S758 N759 L764 R766S758-Q762 WeakPolarHBondContact O-CB 3.32Å; S758-Q762 WeakPolarHBondContact O-CG 3.49Å; S758-Q762 PolarHBondContact O-N 2.92Å; N759-Q762 PolarHBondContact O-N 3.43Å; Q762-L764 VanDerWaalsContact C-N 3.31Å; Q762-L764 PolarHBondContact O-N 3.18Å; Q762-R766 WeakPolarHBondContact O-CB 3.34Å; Q762-R766 WeakPolarHBondContact O-CD 3.25Å; Q762-R766 WeakPolarHBondContact O-CG 3.28Å; Q762-R766 PolarHBondContact O-N 3.36Å
763S72.6Confident64.4Low45 Ų45100.4 Ų100.432%0.31556%0.563SS.*Hα-helixtrans-67.3-32.9175.383.60000112.4N759 L760 Q761 R767N759-S763 WeakPolarHBondContact O-CB 3.44Å; N759-S763 PolarHBondContact O-N 2.82Å; L760-S763 CarbonylContact O-C 3.57Å; L760-S763 PolarHBondContact O-N 3.18Å; L760-S763 PolarHBondContact O-OG 3.43Å; Q761-S763 VanDerWaalsContact C-N 3.32Å; Q761-S763 PolarHBondContact O-N 2.89Å; S763-R767 WeakPolarHBondContact O-CB 3.48Å; S763-R767 VanDerWaalsContact O-CD 3.32Å; S763-R767 WeakPolarHBondContact O-CD 3.47Å; S763-R767 WeakPolarHBondContact O-CG 3.39Å; S763-R767 PolarHBondContact O-N 3.08Å
764L69.2Low62Low94 Ų94102 Ų10249%0.49258%0.581SS.*Hα-helixtrans-77.5-40.3177.6-74169.7000111.7L760 Q761 Q762 R766 R767 S768L760-L764 HydrophobicContact CG-CD1 3.99Å; L760-L764 WeakPolarHBondContact O-CB 3.33Å; L760-L764 VanDerWaalsContact O-CG 3.28Å; L760-L764 WeakPolarHBondContact O-CG 3.43Å; L760-L764 PolarHBondContact O-N 2.8Å; Q761-L764 CarbonylContact O-C 3.59Å; Q761-L764 PolarHBondContact O-N 3.16Å; Q761-L764 VanDerWaalsContact O-N 3.16Å; Q762-L764 VanDerWaalsContact C-N 3.31Å; Q762-L764 PolarHBondContact O-N 3.18Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.19Å; L764-R767 CarbonylContact O-C 3.51Å; L764-R767 WeakPolarHBondContact O-CA 3.49Å; L764-R767 PolarHBondContact O-N 2.82Å; L764-S768 WeakPolarHBondContact O-CB 3.49Å; L764-S768 PolarHBondContact O-N 3.48Å; L764-S768 PolarHBondContact O-OG 2.89Å
765S66.2Low59.7Low81 Ų81108.1 Ų108.157%0.56660%0.601SS**Hα-helixtrans-63.4-36.1171.5-62.50000112Q761 R767 S768Q761-S765 PolarHBondContact O-N 3.07Å; Q761-S765 PolarHBondContact O-OG 3.44Å; S765-R767 PolarHBondContact O-N 2.87Å; S765-S768 PolarHBondContact O-OG 2.75Å
766R54.6Low57.1Low201 Ų201109.5 Ų109.576%0.75861%0.607SS**Hα-helixtrans-69.9-6.1169.4-68.7170.5-166.2-102.37113.8Q762 L764Q762-R766 WeakPolarHBondContact O-CB 3.34Å; Q762-R766 WeakPolarHBondContact O-CD 3.25Å; Q762-R766 WeakPolarHBondContact O-CG 3.28Å; Q762-R766 PolarHBondContact O-N 3.36Å; L764-R766 VanDerWaalsContact C-N 3.3Å; L764-R766 PolarHBondContact O-N 3.19Å
767R46.2Very low54.9Low190 Ų190109.2 Ų109.272%0.71760%0.602SS**Hα-helixtrans-119.3-19.2179.6-75.7171.4170.5-87.6-0.2114.2S763 L764 S765 S769S763-R767 WeakPolarHBondContact O-CB 3.48Å; S763-R767 VanDerWaalsContact O-CD 3.32Å; S763-R767 WeakPolarHBondContact O-CD 3.47Å; S763-R767 WeakPolarHBondContact O-CG 3.39Å; S763-R767 PolarHBondContact O-N 3.08Å; L764-R767 CarbonylContact O-C 3.51Å; L764-R767 WeakPolarHBondContact O-CA 3.49Å; L764-R767 PolarHBondContact O-N 2.82Å; S765-R767 PolarHBondContact O-N 2.87Å; R767-S769 VanDerWaalsContact C-N 3.32Å
768S44.2Very low53.3Low89 Ų89110.2 Ų110.262%0.62261%0.614SS**Hα-helixtrans-83-12.9174.563.80000112.4L764 S765 V770L764-S768 WeakPolarHBondContact O-CB 3.49Å; L764-S768 PolarHBondContact O-N 3.48Å; L764-S768 PolarHBondContact O-OG 2.89Å; S765-S768 PolarHBondContact O-OG 2.75Å; S768-V770 PolarHBondContact O-N 3.37Å
769S41.2Very low50.8Low94 Ų94113.3 Ų113.366%0.65762%0.622SS**  trans-74.864.4167.5-172.80000111.4R767R767-S769 VanDerWaalsContact C-N 3.32Å
770V36.2Very low48.6Very low129 Ų129115.5 Ų115.578%0.78263%0.629SS**  trans-100.958.8173.6-76.20000111.3S768S768-V770 PolarHBondContact O-N 3.37Å
771K34.9Very low46.3Very low181 Ų181115.3 Ų115.379%0.78764%0.636SS**SBendtrans-146.5141.8168.4-157.275.8174.7-176.20108.6
772S35Very low44.3Very low107 Ų107117.1 Ų117.175%0.74865%0.649SS**  trans65.987.9176-53.30000117.1
773P38.9Very low42.3Very low134 Ų134120.6 Ų120.687%0.8767%0.665SS**  trans-87114.2162.433.2-27.9000110.8
774A30.1Very low40.5Very low83 Ų83123.2 Ų123.269%0.68668%0.683SS**  trans-151.2122.7176.400000113.6
775Q32.5Very low39Very low182 Ų182122.1 Ų122.185%0.8570%0.695SS**  trans58.6116146.8-61.6171.7-2.200119.1
776S31.1Very low37.4Very low78 Ų78127 Ų12755%0.54571%0.711SS.*  cis94.8151.437.774.40000113.3E1039S776-E1039 WeakPolarHBondContact CB-OE1 3.43Å; S776-E1039 VanDerWaalsContact CB-OE2 3.29Å; S776-E1039 WeakPolarHBondContact CB-OE2 3.46Å; S776-E1039 PolarHBondContact OG-OE1 3.48Å; S776-E1039 PolarHBondContact OG-OE2 3.02Å
777S35.9Very low36.7Very low55 Ų55121.3 Ų121.339%0.38572%0.715SS.*  cis-156.6165.1-11.4-91.40000110.7E1039S777-E1039 VanDerWaalsContact CB-CD 3.5Å; S777-E1039 VanDerWaalsContact CB-OE1 3.29Å; S777-E1039 WeakPolarHBondContact CB-OE1 3.22Å; S777-E1039 VanDerWaalsContact CB-OE2 3.22Å; S777-E1039 WeakPolarHBondContact CB-OE2 3.39Å; S777-E1039 PolarHBondContact N-OE1 2.76Å; S777-E1039 VanDerWaalsContact N-OE1 3.12Å; S777-E1039 PolarHBondContact OG-OE2 3.32Å
778P46.7Very low36.3Very low103 Ų103117.6 Ų117.667%0.66972%0.724SS**  trans-97.3-179.4-170.740.2-38.7000115.6
779Q32.4Very low35.8Very low115 Ų115117 Ų11754%0.53773%0.732SS.*  trans-176.6139.7148.9-100.1-58.5-29.600114.3R1038Q779-R1038 HydrophobicContact CB-CB 4.25Å; Q779-R1038 HydrophobicContact CG-CB 3.52Å; Q779-R1038 HydrophobicContact CG-CG 4.27Å
780H34.8Very low35.6Very low151 Ų151117.8 Ų117.870%0.69975%0.745SS**  trans42.1167.3149.775.60.2000123
781S34.8Very low35.6Very low97 Ų97115.5 Ų115.568%0.67875%0.747SS**  cis-153.7166.38.6-148.10000116.3
782L36.8Very low35.6Very low156 Ų156110.6 Ų110.682%0.81775%0.748SS**  trans-27.9155.9170.2-65.1156.7000122.1
783E34.1Very low35.6Very low168 Ų168109.2 Ų109.279%0.78575%0.751SS**  -155.2162.2116.8-163.643.8-99.900111.8
784S34.7Very low35.6Very low99 Ų99113.8 Ų113.869%0.69275%0.752SS**  trans-64.3165.5-159.5-63.40000120
785G36.7Very low35.9Very low71 Ų71121.7 Ų121.773%0.73276%0.764SS**  trans-176.45.7176.600000123
786M34.2Very low36.3Very low184 Ų184124.2 Ų124.291%0.90677%0.766SS**  trans46.8124.8167.3-83.158.7169.700121.7
787G38.5Very low36.5Very low82 Ų82123.9 Ų123.985%0.84576%0.764SS**  trans165.489.2162.800000115.5
788A38.5Very low36.7Very low111 Ų111128.1 Ų128.192%0.91779%0.79SS**  trans-78.7158.9-177.300000114
789G33.6Very low36.3Very low76 Ų76128.9 Ų128.978%0.78479%0.788SS**  cis145131-9.700000114.3
790A37.1Very low36.5Very low112 Ų112130.8 Ų130.893%0.92680%0.797SS**  trans-174.1159.1164.100000112.2
791G36.8Very low36.7Very low80 Ų80135.4 Ų135.483%0.82581%0.808SS**  trans97.966.2152.900000119
792G35.1Very low36.8Very low78 Ų78133.9 Ų133.980%0.80480%0.801SS**  trans-43.9137.5-175.500000118.9
793G33.3Very low36.9Very low79 Ų79131.6 Ų131.681%0.81479%0.789SS**PPolyproline II helixtrans-99136.5178.900000114.5
794Y40.5Very low37.1Very low229 Ų229131.3 Ų131.390%0.89879%0.789SS**PPolyproline II helixtrans-103.4117.2172-76.5-80.7000112.1
795R35.8Very low37.3Very low250 Ų250133.5 Ų133.594%0.94380%0.799SS**PPolyproline II helixtrans-79.4127.8165.8-66.7-75.8-159.6-165.21.5109.2
796R40.2Very low37.2Very low234 Ų234133.6 Ų133.688%0.88379%0.789SS**  trans-136.3113.4166.5-103.4-176.7171.5-104.8-1.5114.4
797S36.1Very low37.7Very low72 Ų72129.2 Ų129.250%0.50378%0.776SS.*  trans46.2107.7146.458.10000120.6L799S797-L799 VanDerWaalsContact C-N 3.3Å; S797-L799 PolarHBondContact O-N 3.39Å
798P39.4Very low38.6Very low144 Ų144130.5 Ų130.594%0.93576%0.762SS**  trans-76.976160.633.8-34.1000111.1
799L38.4Very low40.1Very low119 Ų119129.4 Ų129.462%0.62374%0.741SS**  trans-112.4-15.1-175.9-110.1166.3000115.3S797 R801S797-L799 VanDerWaalsContact C-N 3.3Å; S797-L799 PolarHBondContact O-N 3.39Å; L799-R801 VanDerWaalsContact C-N 3.32Å; L799-R801 PolarHBondContact O-N 2.88Å
800H37.6Very low42Very low155 Ų155133 Ų13372%0.71874%0.737SS**THydrogen-bonded Turntrans-82.11.9-168-141-69.4000116.1
801R37.7Very low43.8Very low248 Ų248130.3 Ų130.394%0.93672%0.716SS**THydrogen-bonded Turntrans-97-6-179.3-173.1167.1-76.7175.2-2.9113.8L799L799-R801 VanDerWaalsContact C-N 3.32Å; L799-R801 PolarHBondContact O-N 2.88Å
802A36.7Very low45.6Very low64 Ų64131.6 Ų131.653%0.52970%0.7SS.*SBendtrans-98.2-0.7-173.700000115.1S806A802-S806 PolarHBondContact O-OG 3.49Å
803L39.9Very low47.5Very low108 Ų108132.1 Ų132.157%0.56568%0.684SS**SBendtrans-117.27.4-161.3-63.2177.1000116
804M38.2Very low49.5Very low162 Ų162134 Ų13480%0.79867%0.671SS**SBendtrans-115.810.8-174.5-76.2-178.4157.200115.1
805T40Very low51.2Low145 Ų145128.7 Ų128.789%0.8966%0.658SS**SBendtrans-146.622.8173.767.10000113.1
806S33.4Very low53.1Low74 Ų74121.3 Ų121.352%0.51764%0.637SS.*SBendtrans-141.7-2.8-153.645.90000116.9A802A802-S806 PolarHBondContact O-OG 3.49Å
807S45.4Very low54.6Low92 Ų92115 Ų11564%0.64362%0.624SS**  trans-142.717.2-172.372.40000116.5N809S807-N809 PolarHBondContact O-N 3.48Å
808I57.4Low56.4Low108 Ų108113.1 Ų113.155%0.55461%0.611SS**  trans-76.2112163.4-165.4166.5000106.9Q812 L813I808-Q812 HydrophobicContact CG1-CB 4.08Å; I808-L813 HydrophobicContact CD1-CD1 3.66Å; I808-L813 HydrophobicContact CG1-CD1 3.8Å; I808-L813 HydrophobicContact CG2-CD1 3.95Å
809N70.1Confident58.5Low88 Ų88109.1 Ų109.147%0.47160%0.596SS.*  trans-80162.4-17689-12.6000111.3S807 A811 Q812 L813S807-N809 PolarHBondContact O-N 3.48Å; N809-A811 VanDerWaalsContact C-N 3.25Å; N809-A811 PolarHBondContact O-N 2.93Å; N809-A811 PolarHBondContact OD1-N 2.85Å; N809-Q812 PolarHBondContact O-N 3.08Å; N809-Q812 VanDerWaalsContact O-N 3.13Å; N809-Q812 WeakPolarHBondContact OD1-CG 3.28Å; N809-Q812 PolarHBondContact OD1-N 3.12Å; N809-L813 PolarHBondContact O-N 3.14Å; N809-L813 VanDerWaalsContact O-N 3.17Å
810E73.4Confident60.4Low151 Ų151111.1 Ų111.171%0.70660%0.603SS**Hα-helixtrans-61.3-35-175.6-168.1166.7176.600112.4L813 Q814E810-L813 WeakPolarHBondContact O-CB 3.32Å; E810-L813 PolarHBondContact O-N 3.3Å; E810-Q814 PolarHBondContact O-N 2.74Å
811A74.4Confident62.5Low57 Ų57108.3 Ų108.347%0.47159%0.586SS.*Hα-helixtrans-66.4-35.5175.400000113.4N809 Q814 L815N809-A811 VanDerWaalsContact C-N 3.25Å; N809-A811 PolarHBondContact O-N 2.93Å; N809-A811 PolarHBondContact OD1-N 2.85Å; A811-Q814 PolarHBondContact O-N 2.91Å; A811-L815 WeakPolarHBondContact O-CB 3.33Å; A811-L815 PolarHBondContact O-N 3.35Å
812Q74.3Confident64.5Low106 Ų106101.3 Ų101.350%0.49557%0.567SS.*Hα-helixtrans-66.9-40171.9-76.6-179.9-7.200111.2I808 N809 L815 L816I808-Q812 HydrophobicContact CG1-CB 4.08Å; N809-Q812 PolarHBondContact O-N 3.08Å; N809-Q812 VanDerWaalsContact O-N 3.13Å; N809-Q812 WeakPolarHBondContact OD1-CG 3.28Å; N809-Q812 PolarHBondContact OD1-N 3.12Å; Q812-L815 PolarHBondContact O-N 3.16Å; Q812-L816 WeakPolarHBondContact O-CB 3.19Å; Q812-L816 PolarHBondContact O-N 2.87Å; Q812-L816 VanDerWaalsContact O-N 3.08Å
813L76.2Confident66.8Low90 Ų90102.1 Ų102.147%0.47156%0.562SS.*Hα-helixtrans-61-45.1171.5-115.879.2000111.3I808 N809 E810 L816 T817I808-L813 HydrophobicContact CD1-CD1 3.66Å; I808-L813 HydrophobicContact CG1-CD1 3.8Å; I808-L813 HydrophobicContact CG2-CD1 3.95Å; N809-L813 PolarHBondContact O-N 3.14Å; N809-L813 VanDerWaalsContact O-N 3.17Å; E810-L813 WeakPolarHBondContact O-CB 3.32Å; E810-L813 PolarHBondContact O-N 3.3Å; L813-L816 PolarHBondContact O-N 3.23Å; L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 WeakPolarHBondContact O-CG2 3.19Å; L813-T817 PolarHBondContact O-N 3.44Å; L813-T817 PolarHBondContact O-OG1 3.32Å
814Q74.3Confident68.8Low117 Ų117103.9 Ų103.955%0.54757%0.565SS.*Hα-helixtrans-64.8-38.2178.1-79.7174-17.800112.5E810 A811 T817 S818E810-Q814 PolarHBondContact O-N 2.74Å; A811-Q814 PolarHBondContact O-N 2.91Å; Q814-T817 CarbonylContact O-C 3.57Å; Q814-T817 PolarHBondContact O-N 3.16Å; Q814-S818 WeakPolarHBondContact O-CA 3.25Å; Q814-S818 VanDerWaalsContact O-CB 3.31Å; Q814-S818 WeakPolarHBondContact O-CB 3.26Å; Q814-S818 PolarHBondContact O-N 3.48Å
815L76.5Confident70.7Confident119 Ų119100 Ų10062%0.62355%0.545SS*.Hα-helixtrans-63.8-46.6175-171.566.8000111.3A811 Q812 T817 S818 Y821A811-L815 WeakPolarHBondContact O-CB 3.33Å; A811-L815 PolarHBondContact O-N 3.35Å; Q812-L815 PolarHBondContact O-N 3.16Å; L815-T817 VanDerWaalsContact C-N 3.31Å; L815-T817 PolarHBondContact O-N 3.35Å; L815-S818 WeakPolarHBondContact O-CB 3.37Å; L815-S818 PolarHBondContact O-N 3.48Å; L815-S818 PolarHBondContact O-OG 2.81Å; L815-Y821 VanDerWaalsContact O-CB 3.3Å; L815-Y821 WeakPolarHBondContact O-CB 3.3Å
816L74.6Confident72.4Confident94 Ų9498.1 Ų98.149%0.49253%0.529SS..Hα-helixtrans-69.1-22.6177.9-83.9152.1000114.3Q812 L813 Y821Q812-L816 WeakPolarHBondContact O-CB 3.19Å; Q812-L816 PolarHBondContact O-N 2.87Å; Q812-L816 VanDerWaalsContact O-N 3.08Å; L813-L816 PolarHBondContact O-N 3.23Å; L816-Y821 HydrophobicContact CD2-CE1 4.21Å
817T72.3Confident74.4Confident102 Ų102102.5 Ų102.563%0.62653%0.534SS*.Hα-helixtrans-104.2-0.1176.756.50000113.8L813 Q814 L815L813-T817 WeakPolarHBondContact O-CB 3.44Å; L813-T817 WeakPolarHBondContact O-CG2 3.19Å; L813-T817 PolarHBondContact O-N 3.44Å; L813-T817 PolarHBondContact O-OG1 3.32Å; Q814-T817 CarbonylContact O-C 3.57Å; Q814-T817 PolarHBondContact O-N 3.16Å; L815-T817 VanDerWaalsContact C-N 3.31Å; L815-T817 PolarHBondContact O-N 3.35Å
818S74.9Confident75.7Confident33 Ų33107.4 Ų107.423%0.23154%0.538CS..SBendtrans-62.4143.917767.90000111.3Q814 L815 E820 Y821 L822Q814-S818 WeakPolarHBondContact O-CA 3.25Å; Q814-S818 VanDerWaalsContact O-CB 3.31Å; Q814-S818 WeakPolarHBondContact O-CB 3.26Å; Q814-S818 PolarHBondContact O-N 3.48Å; L815-S818 WeakPolarHBondContact O-CB 3.37Å; L815-S818 PolarHBondContact O-N 3.48Å; L815-S818 PolarHBondContact O-OG 2.81Å; S818-E820 PolarHBondContact O-N 3.26Å; S818-Y821 PolarHBondContact O-N 3.16Å; S818-Y821 WeakPolarHBondContact OG-CB 3.35Å; S818-Y821 PolarHBondContact OG-N 2.85Å; S818-L822 PolarHBondContact O-N 3.5Å
819G82.1Confident76Confident60 Ų60112.2 Ų112.262%0.61955%0.549SS*.Hα-helixtrans-58-34174.100000112.1L823G819-L823 VanDerWaalsContact O-CB 3.25Å; G819-L823 WeakPolarHBondContact O-CB 3.35Å; G819-L823 PolarHBondContact O-N 2.95Å
820E79.6Confident75.4Confident161 Ų161116.6 Ų116.675%0.75256%0.564SS**Hα-helixtrans-64.2-44.2176.5-65.8-140.2125.500113.4S818 L822 L823 K824S818-E820 PolarHBondContact O-N 3.26Å; E820-L822 VanDerWaalsContact C-N 3.35Å; E820-L822 PolarHBondContact O-N 3.02Å; E820-L823 PolarHBondContact O-N 3.34Å; E820-K824 VanDerWaalsContact O-CB 3.26Å; E820-K824 WeakPolarHBondContact O-CB 3.48Å; E820-K824 PolarHBondContact O-N 3.26Å
821Y80.6Confident74.5Confident96 Ų96116.2 Ų116.238%0.37657%0.567SS.*Hα-helixtrans-64.3-42.2179.4-172.6-93.9000111L815 L816 S818 K824 Q825L815-Y821 VanDerWaalsContact O-CB 3.3Å; L815-Y821 WeakPolarHBondContact O-CB 3.3Å; L816-Y821 HydrophobicContact CD2-CE1 4.21Å; S818-Y821 PolarHBondContact O-N 3.16Å; S818-Y821 WeakPolarHBondContact OG-CB 3.35Å; S818-Y821 PolarHBondContact OG-N 2.85Å; Y821-K824 PolarHBondContact O-N 2.94Å; Y821-Q825 HydrophobicContact CD1-CG 4.32Å; Y821-Q825 HydrophobicContact CE1-CG 3.94Å; Y821-Q825 VanDerWaalsContact O-CG 3.32Å; Y821-Q825 WeakPolarHBondContact O-CG 3.33Å; Y821-Q825 PolarHBondContact O-N 3.37Å; Y821-Q825 PolarHBondContact OH-NE2 3.18Å; Y821-Q825 VanDerWaalsContact OH-NE2 3.1Å
822L81.1Confident73.4Confident100 Ų100118.2 Ų118.252%0.52458%0.578SS.*Hα-helixtrans-61.3-45.9171.6-96.674.1000112S818 E820 K824 Q825 L826S818-L822 PolarHBondContact O-N 3.5Å; E820-L822 VanDerWaalsContact C-N 3.35Å; E820-L822 PolarHBondContact O-N 3.02Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 3.4Å; L822-Q825 PolarHBondContact O-N 2.91Å; L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CG 3.42Å; L822-L826 PolarHBondContact O-N 3.08Å
823L83.4Confident71.8Confident82 Ų82121 Ų12143%0.42960%0.596SS.*Hα-helixtrans-66.5-35-178.4-170.163.4000112.1G819 E820 L826 R827G819-L823 VanDerWaalsContact O-CB 3.25Å; G819-L823 WeakPolarHBondContact O-CB 3.35Å; G819-L823 PolarHBondContact O-N 2.95Å; E820-L823 PolarHBondContact O-N 3.34Å; L823-L826 PolarHBondContact O-N 3.08Å; L823-R827 WeakPolarHBondContact O-CG 3.28Å; L823-R827 PolarHBondContact O-N 3.23Å
824K81.6Confident70.2Confident145 Ų145126.1 Ų126.163%0.6362%0.617SS**Hα-helixtrans-69.3-36.6175.3-161.4163.6-170.5164.90111.7E820 Y821 L822 R828E820-K824 VanDerWaalsContact O-CB 3.26Å; E820-K824 WeakPolarHBondContact O-CB 3.48Å; E820-K824 PolarHBondContact O-N 3.26Å; Y821-K824 PolarHBondContact O-N 2.94Å; L822-K824 VanDerWaalsContact C-N 3.33Å; L822-K824 PolarHBondContact O-N 3.4Å; K824-R828 PolarHBondContact O-N 3.47Å; K824-R828 VanDerWaalsContact O-N 3.15Å
825Q78.7Confident68.5Low80 Ų80131.1 Ų131.137%0.37463%0.632SS.*Hα-helixtrans-68.5-38.8170.3-70.1-70.72.500112.3Y821 L822 R828 R829Y821-Q825 HydrophobicContact CD1-CG 4.32Å; Y821-Q825 HydrophobicContact CE1-CG 3.94Å; Y821-Q825 VanDerWaalsContact O-CG 3.32Å; Y821-Q825 WeakPolarHBondContact O-CG 3.33Å; Y821-Q825 PolarHBondContact O-N 3.37Å; Y821-Q825 PolarHBondContact OH-NE2 3.18Å; Y821-Q825 VanDerWaalsContact OH-NE2 3.1Å; L822-Q825 PolarHBondContact O-N 2.91Å; Q825-R828 PolarHBondContact O-N 3.08Å; Q825-R829 PolarHBondContact O-N 3.25Å
826L76.4Confident67.2Low106 Ų106131.5 Ų131.556%0.55564%0.635SS**Hα-helixtrans-65.3-44.9175.5-76.3163.7000112L822 L823 R828 R829 K830L822-L826 WeakPolarHBondContact O-CB 3.45Å; L822-L826 WeakPolarHBondContact O-CG 3.42Å; L822-L826 PolarHBondContact O-N 3.08Å; L823-L826 PolarHBondContact O-N 3.08Å; L826-R828 PolarHBondContact O-N 3.37Å; L826-R829 PolarHBondContact O-N 3Å; L826-R829 VanDerWaalsContact O-N 3.08Å; L826-K830 PolarHBondContact O-N 2.81Å
827R75.5Confident65.6Low166 Ų166132.5 Ų132.563%0.62665%0.647SS**Hα-helixtrans-59.4-44.8174.2-74.4178.3-177.7148-0.4111.8L823 R829 K830 N831L823-R827 WeakPolarHBondContact O-CG 3.28Å; L823-R827 PolarHBondContact O-N 3.23Å; R827-R829 PolarHBondContact O-N 2.73Å; R827-R829 VanDerWaalsContact O-N 3.14Å; R827-K830 PolarHBondContact O-N 3.5Å; R827-N831 PolarHBondContact O-N 3.16Å; R827-N831 PolarHBondContact O-OD1 3.19Å
828R72.2Confident63.9Low194 Ų194132.3 Ų132.373%0.73265%0.65SS**Hα-helixtrans-59.9-22.7175-78.7-167.3-179.7-78.64.5114.1K824 Q825 L826K824-R828 PolarHBondContact O-N 3.47Å; K824-R828 VanDerWaalsContact O-N 3.15Å; Q825-R828 PolarHBondContact O-N 3.08Å; L826-R828 PolarHBondContact O-N 3.37Å
829R63.2Low62.2Low209 Ų209140.5 Ų140.579%0.78968%0.684SS**Hα-helixtrans-89.7-11174.4-70.3-178.3-179.8-169.9-1.4114.4Q825 L826 R827Q825-R829 PolarHBondContact O-N 3.25Å; L826-R829 PolarHBondContact O-N 3Å; L826-R829 VanDerWaalsContact O-N 3.08Å; R827-R829 PolarHBondContact O-N 2.73Å; R827-R829 VanDerWaalsContact O-N 3.14Å
830K58.6Low60Low180 Ų180146.4 Ų146.478%0.78370%0.696SS**Hα-helixtrans-98.5-17.4-177.2-142.2-164177.6-1580114.1L826 R827L826-K830 PolarHBondContact O-N 2.81Å; R827-K830 PolarHBondContact O-N 3.5Å
831N54.1Low58Low143 Ų143144.4 Ų144.477%0.76570%0.695SS**SBendtrans-102.953.4-176.8-6439000111.5R827R827-N831 PolarHBondContact O-N 3.16Å; R827-N831 PolarHBondContact O-OD1 3.19Å
832S50.1Low56Low100 Ų100149.2 Ų149.270%0.69972%0.72SS**  trans-14929.2-168.9-1710000113.9
833L41.9Very low53.7Low165 Ų165152.6 Ų152.686%0.86473%0.733SS**  trans-139.514.3-167-162.753.6000115.1
834E43.4Very low51.6Low196 Ų196155.4 Ų155.492%0.91675%0.753SS**  trans-136.198.1-179.2-75171.4127.400111.6
835Y36.6Very low49.5Very low222 Ų222156.7 Ų156.787%0.87176%0.761SS**  trans-167.3138.3141.5-152.4-93.9000110
836D51Low47.8Very low128 Ų128158.1 Ų158.168%0.68478%0.778SS**  trans-126.4125.7-176.7-172.58.8000110.8
837P41.2Very low45.9Very low114 Ų114157.5 Ų157.574%0.7479%0.788SS**  trans-118.494.7178.637.2-23.2000113
838S36.7Very low44.1Very low98 Ų98154.8 Ų154.869%0.68580%0.801SS**  trans-144.480.717560.80000113.9
839Q39Very low42.6Very low205 Ų205149.7 Ų149.796%0.95880%0.801SS**  trans-154.2124.3161.5-155.4169.679.100109.5
840E35.1Very low41.5Very low185 Ų185144.6 Ų144.686%0.86480%0.795SS**  trans-152.8156.1-174.9-159178.6-120.800110.1
841V38.6Very low40.6Very low119 Ų119140 Ų14072%0.72178%0.778SS**  trans72.6105.7170.2-167.60000118.3
842E37.6Very low39.6Very low196 Ų196136.5 Ų136.592%0.91677%0.765SS**  -153.2164.7113-135.9-179.5-175.800111
843H32.6Very low39.2Very low172 Ų172136.6 Ų136.680%0.79676%0.763SS**  trans-154.3116.6-149.2-151.2-66.9000114.9
844V40.3Very low38.8Very low140 Ų140133.8 Ų133.885%0.84875%0.749SS**  trans-148.7100.3171.5-1790000107.8
845E36.9Very low38.4Very low172 Ų172134.3 Ų134.380%0.80474%0.742SS**  78.1144.596.7-93.2-118109.400115.8
846P42.3Very low38.4Very low110 Ų110133.8 Ų133.871%0.71474%0.739SS**  -138175.8-127.442.8-26.4000116.7
847A36.7Very low37.4Very low94 Ų94132.1 Ų132.178%0.77774%0.737SS**  trans-153.4122.6160.900000112.8
848A38.2Very low36.9Very low109 Ų109132.1 Ų132.190%0.90174%0.739SS**SBendtrans59.5139.1169.500000117.4
849A40.9Very low36.6Very low87 Ų87132.3 Ų132.372%0.71974%0.741SS**  cis-143.2159.8-11.900000106.9
850P38.9Very low36.1Very low102 Ų102131.5 Ų131.566%0.66273%0.734SS**  trans-69160.7-167.633.2-37.1000110.4
851L39.9Very low36.1Very low82 Ų82131 Ų13143%0.42973%0.732SS.*  -157.6149.5115.2-67.2109.7000107.5Y916 D917L851-Y916 HydrophobicContact CB-CD1 4.4Å; L851-Y916 HydrophobicContact CB-CD2 4.19Å; L851-Y916 HydrophobicContact CB-CG 3.76Å; L851-Y916 HydrophobicContact CD1-CD2 4.25Å; L851-Y916 WeakPolarHBondContact O-CD1 3.22Å; L851-D917 VanDerWaalsContact C-OD1 3.27Å; L851-D917 WeakPolarHBondContact CA-OD1 3.39Å; L851-D917 HydrophobicContact CB-CB 3.71Å; L851-D917 VanDerWaalsContact CB-CG 3.41Å; L851-D917 HydrophobicContact CD2-CB 3.64Å; L851-D917 WeakPolarHBondContact CD2-OD2 3.48Å; L851-D917 HydrophobicContact CG-CB 4.11Å
852S33.3Very low35.8Very low71 Ų71133.3 Ų133.350%0.49774%0.735SS.*  trans-162.6139172.5-86.50000116.4D917 N918 E919S852-D917 VanDerWaalsContact C-N 3.34Å; S852-D917 VanDerWaalsContact N-CA 3.28Å; S852-D917 VanDerWaalsContact N-N 3.11Å; S852-D917 PolarHBondContact N-OD1 2.86Å; S852-D917 CarbonylContact O-C 3.3Å; S852-D917 WeakPolarHBondContact O-CA 3.4Å; S852-N918 CarbonylContact O-C 3.01Å; S852-N918 VanDerWaalsContact O-C 3.3Å; S852-N918 WeakPolarHBondContact O-CA 3.38Å; S852-N918 PolarHBondContact O-N 3.42Å; S852-E919 PolarHBondContact O-N 3.38Å
853P42.1Very low35.6Very low101 Ų101131.8 Ų131.866%0.65673%0.728SS**  trans-70.2172.5-137.937.5-41.1000117.1D917P853-D917 CarbonylContact C-O 3.52Å; P853-D917 VanDerWaalsContact C-O 3.32Å; P853-D917 VanDerWaalsContact CA-C 3.43Å; P853-D917 WeakPolarHBondContact CA-O 3.37Å
854L33Very low35.6Very low107 Ų107132.2 Ų132.256%0.5673%0.731SS**  trans160.2146141.7177.765.5000115.7D917L854-D917 PolarHBondContact N-O 3.41Å
855R36.3Very low35.1Very low206 Ų206129.1 Ų129.178%0.77773%0.726SS**  trans60.5148.2164.9-78161.4-178.5177-0.4116.4
856R35.1Very low34.9Very low212 Ų212129.6 Ų129.680%0.873%0.729SS**  cis-146.3144.839.1-97.8107.7177.4-69.31.7109.9
857S29.9Very low34.9Very low93 Ų93129.2 Ų129.265%0.6573%0.726SS**  57128.479.8100.50000113.2
858S31.1Very low35Very low113 Ų113130.3 Ų130.379%0.7973%0.726SS**  65.7142.152.1-1660000113.6
859S30.4Very low34.8Very low103 Ų103130.7 Ų130.772%0.7272%0.716SS**  trans68.8128.4-167.9-1400000114.3
860F28.2Very low34.4Very low187 Ų187135.9 Ų135.982%0.8272%0.717SS**  cis77.290.934.7-131.4-74.4000113.4
861Q36.7Very low34.6Very low176 Ų176139.2 Ų139.282%0.82272%0.724SS**  trans173.4137.2151.2-94.6156.94.500106.7
862Q31.6Very low34.8Very low166 Ų166139.5 Ų139.578%0.77674%0.738SS**  cis77.681.131.6-164.8-168.50.600114.6
863Q33Very low35.3Very low165 Ų165148 Ų14877%0.77176%0.759SS**  trans-170136.5139.8-103.4163.618.800108.8
864Q33.3Very low35.4Very low181 Ų181148 Ų14885%0.84676%0.76SS**  54.4123.695.9-60178.2-10.900113.5
865G30.2Very low35.9Very low74 Ų74148.4 Ų148.476%0.76376%0.762SS**  trans-122-180-175.500000114.3
866Q32.3Very low36Very low182 Ų182145.9 Ų145.985%0.8576%0.757SS**  trans-149.9179.2172.8-94.4-50.1-11.200109.4
867P42.6Very low36.2Very low102 Ų102142.6 Ų142.666%0.66275%0.751SS**  trans-105.4177-141.644.6-34000113.2
868P37.7Very low36.7Very low118 Ų118144.2 Ų144.277%0.76675%0.752SS**  -143.3171.690.235.9-18.6000115.9
869V33.4Very low36.8Very low116 Ų116146.1 Ų146.170%0.70375%0.753SS**  trans-23.5152.1168-74.60000118.1
870R34Very low37.1Very low196 Ų196151 Ų15174%0.7476%0.757SS**  cis-164.8146.717.1-134.6173.3-101.2-149.4-5.6111.3
871Q42.3Very low37.8Very low173 Ų173147.1 Ų147.181%0.80875%0.749SS**  trans60.2142.8153.8-71.6153.1-35.100119.3
872A44.1Very low38.3Very low88 Ų88144 Ų14473%0.72774%0.744SS**  cis-161132.7-11.500000114.2
873R44.8Very low39Very low249 Ų249141.8 Ų141.894%0.9474%0.744SS**  trans62.2162.9145.4-82.3-163.9159.2-179.9-5.8121.3
874P42.9Very low38.8Very low102 Ų102138.5 Ų138.566%0.66275%0.745SS**  trans-115-166.1-14944.5-36.1000114.9
875N44.2Very low38.9Very low114 Ų114134.1 Ų134.161%0.6174%0.74SS**  trans171.563.5169.2-48.7-10.4000116.6
876F37.2Very low39.3Very low153 Ų153141.5 Ų141.567%0.67174%0.744SS**  trans40130.5144.7-78-34.1000124.8
877Q40.6Very low39.3Very low143 Ų143140.8 Ų140.867%0.66874%0.741SS**  86.7149.9127.3-71.1168.424.800122.3
878N39.1Very low39.1Very low127 Ų127140.8 Ų140.868%0.67975%0.75SS**  trans71.1114.6165.1-56.4-38000116.6
879L34.7Very low39.1Very low154 Ų154143.3 Ų143.381%0.80675%0.751SS**  90.1145.457.2-96.169.6000113.3
880Y37.1Very low39Very low205 Ų205141.8 Ų141.880%0.80475%0.75SS**  trans8293.7162.4-122.2-100.8000119.9
881T42.4Very low38.9Very low105 Ų105140.4 Ų140.464%0.64476%0.757SS**  44.2130.2112-42.80000120.2
882P47.2Very low38.3Very low111 Ų111136.6 Ų136.672%0.72175%0.749SS**  trans-83.8-165.4179.943-42.7000111.5
883P45.3Very low37.6Very low119 Ų119137.8 Ų137.877%0.77375%0.748SS**  cis-142.7-155.98.645.1-24000116
884A30.3Very low36.9Very low97 Ų97131.5 Ų131.580%0.80274%0.736SS**  trans81.1110158.800000119.5
885A34.6Very low36.3Very low89 Ų89134.3 Ų134.374%0.73674%0.741SS**  trans-160.6129.914600000112.9
886R38.2Very low35.9Very low228 Ų228137 Ų13786%0.8675%0.749SS**  trans60.6106.3135.3-64.5170.9-170.8-163.9-0.1118.4
887H33.5Very low35.6Very low167 Ų167135.8 Ų135.877%0.77375%0.746SS**  81.1106.286.6-92.3-94000114.3
888A38.6Very low35.5Very low103 Ų103137.9 Ų137.985%0.85176%0.755SS**  trans-142.5148.3146.700000107.6
889H35.9Very low35.3Very low171 Ų171138 Ų13879%0.79275%0.752SS**  trans-86.3163-167.7-95.8-115.5000114.7
890A31.2Very low35.1Very low83 Ų83136.4 Ų136.469%0.68674%0.744SS**  trans-66.4-177.9170.600000113.4
891L32.7Very low34.8Very low168 Ų168134.3 Ų134.388%0.8874%0.739SS**  trans75.7123.9175.7-52.7169.9000113.6
892S29.1Very low34.2Very low92 Ų92139 Ų13964%0.64375%0.75SS**  cis167.7-169.212.853.60000105.4
893T30.3Very low33.3Very low114 Ų114139.3 Ų139.370%0.69976%0.755SS**  trans63.687.8148.3-49.60000116.1
894V30.1Very low32.4Very low116 Ų116137.5 Ų137.570%0.70375%0.75SS**  79136.575.9168.50000112.7
895H30.5Very low32.4Very low162 Ų162139 Ų13975%0.7575%0.754SS**  trans68150.9-176.8-76.545.5000113.5
896Q35Very low32.2Very low169 Ų169139.9 Ų139.979%0.7976%0.756SS**  cis-118.1135.40.6-99.8156.457.100109.4
897Q31.3Very low31.8Very low128 Ų128135.8 Ų135.860%0.59875%0.751SS**  78.664.874.1-157.7-161.59700114.9Q899Q897-Q899 HydrophobicContact CG-CG 4.23Å; Q897-Q899 PolarHBondContact O-NE2 2.82Å
898Q39Very low31.7Very low187 Ų187134.9 Ų134.987%0.87475%0.751SS**  trans-106119.1139.5-64.7-172.416.100106.4
899Q34.8Very low31.2Very low130 Ų130138.2 Ų138.261%0.60775%0.747SS**  cis72.5138.645.4-56.4-170.451.500113Q897Q897-Q899 HydrophobicContact CG-CG 4.23Å; Q897-Q899 PolarHBondContact O-NE2 2.82Å
900L30.6Very low31.3Very low120 Ų120135.9 Ų135.963%0.62874%0.737SS**  cis-157.8-178.9-15-111.1178.7000109.3
901K30.9Very low31.4Very low162 Ų162140.9 Ų140.970%0.70475%0.746SS**  trans8.3123150.4-67.1154.8-173.1174.40117.2
902K29Very low31.6Very low203 Ų203136.4 Ų136.488%0.88373%0.733SS**  52.486.886.6-62.8-179.6177-175.50114.8
903S27.7Very low32Very low117 Ų117138.7 Ų138.782%0.81873%0.728SS**  trans-162.7145.2148.5-82.50000106.9
904A28Very low32.3Very low82 Ų82137.2 Ų137.268%0.67872%0.722SS**  cis92.5104.72300000114.5
905S29.3Very low33Very low127 Ų127137.5 Ų137.589%0.88872%0.72SS**  trans63.4168-179.977.20000115
906S30.1Very low33.4Very low109 Ų109137.3 Ų137.376%0.76271%0.714SS**  cis-143.1-161.18.5610000112.5
907N31.1Very low34Very low141 Ų141131.5 Ų131.575%0.75469%0.688SS**  trans-104.1168.3-170.6-54.8-43.4000113.7
908N30.3Very low34.6Very low148 Ų148129.1 Ų129.179%0.79168%0.68SS**  trans66.3160.7150.3-77.911.4000117.1
909F29.1Very low35.2Very low173 Ų173126.9 Ų126.976%0.75967%0.669SS**  cis-145.5-175.9-28.2-151.5-132.9000103.7
910E36.2Very low36Very low123 Ų123126.4 Ų126.458%0.57567%0.67SS**  cis-173.9166.937.6-175.8142.3-131.100108.2
911Q34.9Very low37.2Very low188 Ų188127.9 Ų127.988%0.87967%0.674SS**  trans-114.1138.7167.2-64.6177.1-64.200110.1
912A36.7Very low37.9Very low73 Ų73128.5 Ų128.560%0.60367%0.673SS**  trans-174135.4145.100000111.9
913Y37Very low38.7Very low141 Ų141128.4 Ų128.455%0.55367%0.668SS**  trans-165.294.3149.3-95.6-61.1000110V509 L510 A511V509-Y913 HydrophobicContact CG1-CE1 4.43Å; L510-Y913 WeakPolarHBondContact CA-OH 3.47Å; L510-Y913 HydrophobicContact CD2-CE1 3.98Å; L510-Y913 WeakPolarHBondContact CD2-OH 3.1Å; A511-Y913 PolarHBondContact N-OH 3.35Å
914S37Very low39.5Very low82 Ų82129.8 Ų129.857%0.57367%0.665SS**  46123.1127.963.10000121.6
915D44.5Very low40.6Very low123 Ų123131.9 Ų131.966%0.65867%0.665SS**  89.586.7126.8-55-1.1000121.9
916Y38.9Very low41.5Very low158 Ų158131.6 Ų131.662%0.6265%0.653SS**  58.7165.4119.7-50.4-78.3000124.7L851L851-Y916 HydrophobicContact CB-CD1 4.4Å; L851-Y916 HydrophobicContact CB-CD2 4.19Å; L851-Y916 HydrophobicContact CB-CG 3.76Å; L851-Y916 HydrophobicContact CD1-CD2 4.25Å; L851-Y916 WeakPolarHBondContact O-CD1 3.22Å
917D47.2Very low42.5Very low46 Ų46134 Ų13425%0.24665%0.653CS.*  trans77.3149.1171.9-104.9-1.4000122.8L851 S852 P853 L854L851-D917 VanDerWaalsContact C-OD1 3.27Å; L851-D917 WeakPolarHBondContact CA-OD1 3.39Å; L851-D917 HydrophobicContact CB-CB 3.71Å; L851-D917 VanDerWaalsContact CB-CG 3.41Å; L851-D917 HydrophobicContact CD2-CB 3.64Å; L851-D917 WeakPolarHBondContact CD2-OD2 3.48Å; L851-D917 HydrophobicContact CG-CB 4.11Å; S852-D917 VanDerWaalsContact C-N 3.34Å; S852-D917 VanDerWaalsContact N-CA 3.28Å; S852-D917 VanDerWaalsContact N-N 3.11Å; S852-D917 PolarHBondContact N-OD1 2.86Å; S852-D917 CarbonylContact O-C 3.3Å; S852-D917 WeakPolarHBondContact O-CA 3.4Å; P853-D917 CarbonylContact C-O 3.52Å; P853-D917 VanDerWaalsContact C-O 3.32Å; P853-D917 VanDerWaalsContact CA-C 3.43Å; P853-D917 WeakPolarHBondContact CA-O 3.37Å; L854-D917 PolarHBondContact N-O 3.41Å
918N43.5Very low43.6Very low79 Ų79133.8 Ų133.842%0.42265%0.652SS.*  cis-145.3147.2-0.9-151.1-35.1000114.2S852S852-N918 CarbonylContact O-C 3.01Å; S852-N918 VanDerWaalsContact O-C 3.3Å; S852-N918 WeakPolarHBondContact O-CA 3.38Å; S852-N918 PolarHBondContact O-N 3.42Å
919E52.3Low44.6Very low140 Ų140135 Ų13565%0.65465%0.653SS**  trans18.8161.4156.2-80.7-172.9144.400126.4S852S852-E919 PolarHBondContact O-N 3.38Å
920L52.5Low45.7Very low120 Ų120135.2 Ų135.263%0.62866%0.658SS**  trans72.5120.9141.7-109.267.4000120.9
921Q54.2Low46.4Very low150 Ų150132.7 Ų132.770%0.70167%0.665SS**  162.8117.8102.2-84.6-128-1600115.1
922Y45.9Very low46.9Very low175 Ų175129.9 Ų129.969%0.68666%0.661SS**  trans56.5120153.8-62.5-94.6000119.3
923Y45.6Very low47.3Very low201 Ų201132.9 Ų132.979%0.78867%0.672SS**  65.5129.470.2-86.3-75.5000114.6
924I45Very low47.5Very low146 Ų146129.9 Ų129.975%0.74968%0.684SS**  167.3124.8125-90.5167.6000109.6
925N50.7Low47.6Very low126 Ų126129.9 Ų129.967%0.67469%0.689SS**  trans69.5112.7169.1-66.539.6000115.2
926D49.6Very low47.4Very low121 Ų121132.9 Ų132.965%0.64769%0.692SS**  cis65.9134.337.5-29.2-49.6000110.1
927E49.9Very low47.5Very low159 Ų159135 Ų13574%0.74370%0.701SS**  cis-145163.630.8-54.4-98.958.400111.5
928D55.7Low47.3Very low138 Ų138137.3 Ų137.374%0.73872%0.72SS**  trans55.9157.7138.4-63.9-16.5000123.4
929E50.9Low46.8Very low173 Ų173138.1 Ų138.181%0.80873%0.732SS**  cis-139165.62.1-143.8-176.4140.500112.9
930M51.8Low46.1Very low178 Ų178138 Ų13888%0.87774%0.736SS**  trans-70.9167.4-175.9-56.8-170.9-70.400115.1
931G50.4Low45.7Very low69 Ų69139.9 Ų139.971%0.71174%0.741SS**  trans-164.953.4-179.900000118
932T46.4Very low45.2Very low129 Ų129140.9 Ų140.979%0.79175%0.746SS**  trans52.899.1162.958.90000118.2
933T44.5Very low45.2Very low136 Ų136141.5 Ų141.583%0.83476%0.755SS**  7410171.366.30000117.3
934G41.4Very low45.1Very low79 Ų79137 Ų13781%0.81474%0.742SS**  trans94.3161.2135.600000119.5
935A40Very low44.7Very low82 Ų82131.3 Ų131.368%0.67872%0.716SS**  cis-166.2162.9-14.200000113
936Y40.1Very low44.3Very low186 Ų186127.7 Ų127.773%0.72970%0.698SS**  trans70.1124.7149.9-74-58.9000122.8
937Y41.2Very low43.6Very low203 Ų203127.4 Ų127.480%0.79669%0.693SS**  trans63.9143.1147.9-60.8-52000119.6
938S41Very low42.7Very low93 Ų93125.5 Ų125.565%0.6569%0.688SS**  cis-163.6151-20.5-164.10000109.3
939S35Very low42Very low97 Ų97125 Ų12568%0.67868%0.681SS**  trans59.4116.9151.9-62.40000119.7
940N36.2Very low41.4Very low138 Ų138126 Ų12674%0.73869%0.686SS**  61.7134.7116.8-90.345000119.1
941E43.6Very low40.8Very low158 Ų158123.5 Ų123.574%0.73868%0.676SS**  cis-147.1134.917.1-56.1-169.8152.300113
942E44.6Very low40.1Very low172 Ų172129 Ų12980%0.80468%0.684SS**  trans60.2109.1144.1-61.1176.8-170.400124.7
943E45.1Very low39.4Very low187 Ų187126.5 Ų126.587%0.87468%0.683SS**  60.2148.2126.8-63.3-167.4177.500125.2
944E43.4Very low39Very low108 Ų108124.2 Ų124.251%0.50568%0.678SS.*  cis-159.9162.4-34-139.9-137.7160.400113.6R559 E563R559-E944 IonicContact CZ-OE1 2.72Å; R559-E944 VanDerWaalsContact CZ-OE1 3.29Å; R559-E944 IonicContact NE-OE1 3.94Å; R559-E944 PolarHBondContact NE-OE1 3.42Å; R559-E944 VanDerWaalsContact NE-OE1 3.09Å; R559-E944 IonicContact NH2-OE1 2.68Å; R559-E944 PolarHBondContact NH2-OE1 3.38Å; E563-E944 VanDerWaalsContact CG-O 3.26Å; E563-E944 WeakPolarHBondContact CG-O 3.36Å
945A38Very low39.1Very low26 Ų26126.1 Ų126.122%0.21567%0.673CS.*  trans-62.1-175.6-171.100000119.7A562 E563A562-A945 CarbonylContact C-O 3.58Å; A562-A945 VanDerWaalsContact C-O 3.3Å; A562-A945 WeakPolarHBondContact CA-O 3.47Å; A562-A945 WeakPolarHBondContact CB-O 3.47Å; E563-A945 VanDerWaalsContact CG-C 3.46Å; E563-A945 VanDerWaalsContact N-C 3.29Å; E563-A945 PolarHBondContact N-O 3.33Å; E563-A945 WeakPolarHBondContact OE1-CA 3.44Å
946V41Very low39.4Very low49 Ų49126.6 Ų126.630%0.29767%0.67SS.*BIsolated β-bridge-137.5131.9-69.2163.40000109Q560 K561 A562 E563Q560-V946 CarbonylContact C-O 3.57Å; K561-V946 CarbonylContact C-O 3.32Å; K561-V946 VanDerWaalsContact C-O 3.28Å; K561-V946 WeakPolarHBondContact CA-O 3.31Å; K561-V946 PolarHBondContact N-O 3.37Å; A562-V946 VanDerWaalsContact N-C 3.33Å; A562-V946 PolarHBondContact N-O 2.87Å; E563-V946 VanDerWaalsContact N-C 3.3Å; E563-V946 VanDerWaalsContact N-N 3.16Å
947E35.5Very low39.5Very low115 Ų115124 Ų12454%0.53767%0.668SS.*  trans38.892.7168.1-64.9-141.283.300123.7K561 E563 Y564 H949K561-E947 VanDerWaalsContact CA-O 3.32Å; K561-E947 WeakPolarHBondContact CA-O 3.38Å; E563-E947 WeakPolarHBondContact O-CA 3.45Å; E563-E947 PolarHBondContact O-N 2.75Å; Y564-E947 HydrophobicContact CD2-CG 4.05Å; Y564-E947 HydrophobicContact CE2-CG 3.85Å; E947-H949 PolarHBondContact O-N 2.93Å; E947-H949 VanDerWaalsContact O-N 3.12Å
948N32.1Very low39.8Very low120 Ų120118.5 Ų118.564%0.64266%0.659SS**  trans-76.493.9-178.2-154.8-30.2000117.4K561K561-N948 WeakPolarHBondContact O-CA 3.44Å; K561-N948 VanDerWaalsContact O-CB 3.27Å; K561-N948 WeakPolarHBondContact O-CB 3.22Å; K561-N948 PolarHBondContact O-ND2 3.23Å; K561-N948 VanDerWaalsContact O-ND2 3.09Å
949H41.1Very low40.3Very low128 Ų128118.5 Ų118.559%0.59365%0.651SS**  trans-63.7119173.1-92.9-104.8000115.5K561 E947 D951K561-H949 HydrophobicContact CD-CB 3.94Å; K561-H949 HydrophobicContact CG-CB 4.25Å; E947-H949 PolarHBondContact O-N 2.93Å; E947-H949 VanDerWaalsContact O-N 3.12Å; H949-D951 PolarHBondContact O-N 2.98Å
950E36.7Very low41.7Very low192 Ų192117.8 Ų117.890%0.89764%0.643SS**  trans-66.893.1163.9-74.9-163.912300112.4
951D39.8Very low43Very low127 Ų127121 Ų12168%0.67965%0.645SS**  trans-76.6138.7173-115.5-58.3000112.5K561 H949 G953K561-D951 IonicContact NZ-OD2 2.74Å; K561-D951 PolarHBondContact NZ-OD2 3.1Å; H949-D951 PolarHBondContact O-N 2.98Å; D951-G953 VanDerWaalsContact C-N 3.35Å; D951-G953 PolarHBondContact O-N 3.26Å
952Q34.6Very low44.3Very low185 Ų185120.4 Ų120.486%0.86464%0.644SS**  trans-80.278.1-165.6-66.1-175.725.600112.8A954Q952-A954 PolarHBondContact O-N 3.17Å
953G32.7Very low45.7Very low75 Ų75115.7 Ų115.777%0.77362%0.624SS**  trans-55.691.317200000112.4D951 V955D951-G953 VanDerWaalsContact C-N 3.35Å; D951-G953 PolarHBondContact O-N 3.26Å; G953-V955 PolarHBondContact O-N 3.23Å
954A36.7Very low47.4Very low89 Ų89114.1 Ų114.174%0.73662%0.615SS**  trans-64.1108.7-165.100000113.3Q952Q952-A954 PolarHBondContact O-N 3.17Å
955V42.5Very low49.1Very low118 Ų118111.7 Ų111.772%0.71561%0.613SS**  trans-47126.8168.5177.50000109.5G953 L957G953-V955 PolarHBondContact O-N 3.23Å; V955-L957 PolarHBondContact O-N 3.37Å
956P45.9Very low51.2Low93 Ų93114.4 Ų114.460%0.60462%0.623SS**  trans-64.4100.5-17122.1-33000112.4S958 N959P956-S958 PolarHBondContact O-N 2.82Å; P956-S958 PolarHBondContact O-OG 2.73Å; P956-N959 PolarHBondContact O-N 3.42Å
957L43.1Very low53.5Low132 Ų132117.3 Ų117.369%0.69164%0.637SS**THydrogen-bonded Turntrans-64.93.8179.8-65.9173.6000114.2V955 N959 T960V955-L957 PolarHBondContact O-N 3.37Å; L957-N959 VanDerWaalsContact C-N 3.33Å; L957-T960 HydrophobicContact CD2-CG2 4.31Å; L957-T960 PolarHBondContact O-OG1 3.38Å
958S46.8Very low55.9Low86 Ų86116.8 Ų116.860%0.60164%0.635SS**Hα-helixtrans-61.2-41.6166.256.30000111.6P956 T960 R961 M962P956-S958 PolarHBondContact O-N 2.82Å; P956-S958 PolarHBondContact O-OG 2.73Å; S958-T960 PolarHBondContact O-N 3.38Å; S958-R961 PolarHBondContact O-N 3.27Å; S958-M962 PolarHBondContact O-N 3.07Å
959N52.5Low58.4Low93 Ų93119.9 Ų119.950%0.49764%0.638SS.*Hα-helixtrans-71.1-32.4-174-153.2-16.7000111.7P956 L957 R961 M962 N963P956-N959 PolarHBondContact O-N 3.42Å; L957-N959 VanDerWaalsContact C-N 3.33Å; N959-R961 PolarHBondContact O-N 2.96Å; N959-M962 PolarHBondContact O-N 3.35Å; N959-N963 VanDerWaalsContact O-CB 3.27Å; N959-N963 WeakPolarHBondContact O-CB 3.42Å; N959-N963 VanDerWaalsContact O-CG 3.29Å; N959-N963 PolarHBondContact O-N 2.69Å; N959-N963 PolarHBondContact O-ND2 2.92Å; N959-N963 PolarHBondContact OD1-ND2 2.85Å
960T63Low60.6Low83 Ų83117.8 Ų117.851%0.50963%0.63SS.*Hα-helixtrans-67-33.7175.762.40000112.6L957 S958 K964L957-T960 HydrophobicContact CD2-CG2 4.31Å; L957-T960 PolarHBondContact O-OG1 3.38Å; S958-T960 PolarHBondContact O-N 3.38Å; T960-K964 WeakPolarHBondContact O-CB 3.43Å; T960-K964 PolarHBondContact O-N 3.08Å
961R64.5Low62.8Low205 Ų205113.9 Ų113.977%0.77461%0.612SS**Hα-helixtrans-68.9-44.2173.6179.8176.7-85.2-144.30.4111.7S958 N959 A965S958-R961 PolarHBondContact O-N 3.27Å; N959-R961 PolarHBondContact O-N 2.96Å; R961-A965 WeakPolarHBondContact O-CB 3.4Å; R961-A965 PolarHBondContact O-N 3.43Å
962M70.4Confident64.7Low145 Ų145116 Ų11671%0.71461%0.61SS**Hα-helixtrans-68.1-43.5177.1-82.2-175.464.400112.1S958 N959 K964 A965 L966S958-M962 PolarHBondContact O-N 3.07Å; N959-M962 PolarHBondContact O-N 3.35Å; M962-K964 PolarHBondContact O-N 3.24Å; M962-A965 CarbonylContact O-C 2.86Å; M962-A965 PolarHBondContact O-N 3.12Å; M962-L966 WeakPolarHBondContact O-CB 3.32Å; M962-L966 PolarHBondContact O-N 2.71Å
963N73.9Confident66.7Low74 Ų74110.2 Ų110.240%0.39659%0.591SS.*Hα-helixtrans-63.9-40.1175.2-71.2-26.5000112N959 A965 L966 L967N959-N963 VanDerWaalsContact O-CB 3.27Å; N959-N963 WeakPolarHBondContact O-CB 3.42Å; N959-N963 VanDerWaalsContact O-CG 3.29Å; N959-N963 PolarHBondContact O-N 2.69Å; N959-N963 PolarHBondContact O-ND2 2.92Å; N959-N963 PolarHBondContact OD1-ND2 2.85Å; N963-A965 VanDerWaalsContact C-N 3.34Å; N963-A965 PolarHBondContact O-N 2.68Å; N963-L966 PolarHBondContact O-N 2.9Å; N963-L967 WeakPolarHBondContact O-CB 3.19Å; N963-L967 VanDerWaalsContact O-CD1 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.46Å; N963-L967 PolarHBondContact O-N 3.44Å
964K81Confident68.4Low154 Ų154114 Ų11467%0.6759%0.586SS**Hα-helixtrans-63.6-38.4173.1-171.9168-175.2168.80112.1T960 M962 M968T960-K964 WeakPolarHBondContact O-CB 3.43Å; T960-K964 PolarHBondContact O-N 3.08Å; M962-K964 PolarHBondContact O-N 3.24Å; K964-M968 VanDerWaalsContact O-CB 3.27Å; K964-M968 WeakPolarHBondContact O-CB 3.47Å; K964-M968 WeakPolarHBondContact O-CG 3.38Å; K964-M968 PolarHBondContact O-N 3.17Å
965A78.3Confident69.4Low56 Ų56116 Ų11646%0.46358%0.58SS.*Hα-helixtrans-68.1-35.9173.900000112.6R961 M962 N963 R969R961-A965 WeakPolarHBondContact O-CB 3.4Å; R961-A965 PolarHBondContact O-N 3.43Å; M962-A965 CarbonylContact O-C 2.86Å; M962-A965 PolarHBondContact O-N 3.12Å; N963-A965 VanDerWaalsContact C-N 3.34Å; N963-A965 PolarHBondContact O-N 2.68Å; A965-R969 VanDerWaalsContact O-CB 3.27Å; A965-R969 WeakPolarHBondContact O-CB 3.38Å; A965-R969 PolarHBondContact O-N 3.3Å
966L83.6Confident69.7Low84 Ų84120.4 Ų120.444%0.4458%0.584SS.*Hα-helixtrans-68.3-48.7175.8-169.874000111.2M962 N963 R969 I970M962-L966 WeakPolarHBondContact O-CB 3.32Å; M962-L966 PolarHBondContact O-N 2.71Å; N963-L966 PolarHBondContact O-N 2.9Å; L966-R969 CarbonylContact O-C 3.54Å; L966-R969 WeakPolarHBondContact O-CA 3.17Å; L966-R969 WeakPolarHBondContact O-CB 3.36Å; L966-R969 PolarHBondContact O-N 3.3Å; L966-I970 HydrophobicContact CD2-CD1 4.36Å; L966-I970 HydrophobicContact CG-CD1 3.9Å; L966-I970 WeakPolarHBondContact O-CG1 3.4Å; L966-I970 PolarHBondContact O-N 2.83Å
967L88.9Confident69.9Low110 Ų110122.1 Ų122.158%0.57659%0.593SS**Hα-helixtrans-58.5-49174.3-93.565.7000110.9N963 R969 I970 E971N963-L967 WeakPolarHBondContact O-CB 3.19Å; N963-L967 VanDerWaalsContact O-CD1 3.28Å; N963-L967 WeakPolarHBondContact O-CD1 3.46Å; N963-L967 PolarHBondContact O-N 3.44Å; L967-R969 PolarHBondContact O-N 3.19Å; L967-I970 PolarHBondContact O-N 2.77Å; L967-E971 WeakPolarHBondContact O-CB 3.29Å; L967-E971 PolarHBondContact O-N 3.27Å
968M85Confident70Confident103 Ų103120.3 Ų120.351%0.50760%0.596SS.*Hα-helixtrans-60.3-27.3175.1-72.7-73.8-68.100113.1K964 R972K964-M968 VanDerWaalsContact O-CB 3.27Å; K964-M968 WeakPolarHBondContact O-CB 3.47Å; K964-M968 WeakPolarHBondContact O-CG 3.38Å; K964-M968 PolarHBondContact O-N 3.17Å; M968-R972 VanDerWaalsContact O-CB 3.25Å; M968-R972 WeakPolarHBondContact O-CB 3.41Å; M968-R972 VanDerWaalsContact O-CG 3.28Å; M968-R972 WeakPolarHBondContact O-CG 3.46Å; M968-R972 PolarHBondContact O-N 3.03Å; M968-R972 VanDerWaalsContact O-N 3.16Å
969R85.3Confident69.5Low185 Ų185118.9 Ų118.970%0.69860%0.595SS**Hα-helixtrans-80-40.5175.3-177.5178.5-71.7169.3-3.2112.1A965 L966 L967 S973A965-R969 VanDerWaalsContact O-CB 3.27Å; A965-R969 WeakPolarHBondContact O-CB 3.38Å; A965-R969 PolarHBondContact O-N 3.3Å; L966-R969 CarbonylContact O-C 3.54Å; L966-R969 WeakPolarHBondContact O-CA 3.17Å; L966-R969 WeakPolarHBondContact O-CB 3.36Å; L966-R969 PolarHBondContact O-N 3.3Å; L967-R969 PolarHBondContact O-N 3.19Å; R969-S973 WeakPolarHBondContact O-CB 3.35Å; R969-S973 PolarHBondContact O-N 3.27Å; R969-S973 PolarHBondContact O-OG 3.44Å
970I86.6Confident68.7Low84 Ų84120.4 Ų120.443%0.43161%0.608SS.*Hα-helixtrans-67.8-39.1175.4-68.8166.6000110.9L966 L967 S973 K974L966-I970 HydrophobicContact CD2-CD1 4.36Å; L966-I970 HydrophobicContact CG-CD1 3.9Å; L966-I970 WeakPolarHBondContact O-CG1 3.4Å; L966-I970 PolarHBondContact O-N 2.83Å; L967-I970 PolarHBondContact O-N 2.77Å; I970-S973 WeakPolarHBondContact CA-OG 3.29Å; I970-S973 PolarHBondContact O-N 3.33Å; I970-S973 PolarHBondContact O-OG 3.5Å; I970-K974 PolarHBondContact O-N 2.8Å
971E83.2Confident67.4Low111 Ų111126 Ų12652%0.51963%0.628SS.*Hα-helixtrans-71.9-40.2176.9-172.8154.9-145.500111.4L967 S973 K974 Q975L967-E971 WeakPolarHBondContact O-CB 3.29Å; L967-E971 PolarHBondContact O-N 3.27Å; E971-S973 VanDerWaalsContact C-N 3.33Å; E971-S973 PolarHBondContact O-N 2.85Å; E971-K974 PolarHBondContact O-N 3.47Å; E971-Q975 WeakPolarHBondContact O-CB 3.22Å; E971-Q975 WeakPolarHBondContact O-CG 3.46Å; E971-Q975 PolarHBondContact O-N 2.91Å
972R79.7Confident66Low170 Ų170121 Ų12164%0.64263%0.631SS**Hα-helixtrans-64.4-31.6169.6-82.4-179.5161.6-171.6-4.6113.5M968 R976M968-R972 VanDerWaalsContact O-CB 3.25Å; M968-R972 WeakPolarHBondContact O-CB 3.41Å; M968-R972 VanDerWaalsContact O-CG 3.28Å; M968-R972 WeakPolarHBondContact O-CG 3.46Å; M968-R972 PolarHBondContact O-N 3.03Å; M968-R972 VanDerWaalsContact O-N 3.16Å; R972-R976 WeakPolarHBondContact O-CB 3.44Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.28Å; R972-R976 VanDerWaalsContact O-N 3.08Å
973S77.1Confident64.3Low65 Ų65119.7 Ų119.746%0.45563%0.634SS.*Hα-helixtrans-73-42.1174.469.90000111.3R969 I970 E971 Q975 R976 V977R969-S973 WeakPolarHBondContact O-CB 3.35Å; R969-S973 PolarHBondContact O-N 3.27Å; R969-S973 PolarHBondContact O-OG 3.44Å; I970-S973 WeakPolarHBondContact CA-OG 3.29Å; I970-S973 PolarHBondContact O-N 3.33Å; I970-S973 PolarHBondContact O-OG 3.5Å; E971-S973 VanDerWaalsContact C-N 3.33Å; E971-S973 PolarHBondContact O-N 2.85Å; S973-Q975 PolarHBondContact O-N 3.47Å; S973-R976 PolarHBondContact O-N 2.85Å; S973-V977 WeakPolarHBondContact O-CG2 3.42Å; S973-V977 PolarHBondContact O-N 2.84Å; S973-V977 VanDerWaalsContact O-N 3.08Å
974K68.6Low62.6Low154 Ų154120.7 Ų120.767%0.6765%0.652SS**Hα-helixtrans-57-47.1169.8-86.2-172.1170.9-178.30112.4I970 E971 R976 V977 A978I970-K974 PolarHBondContact O-N 2.8Å; E971-K974 PolarHBondContact O-N 3.47Å; K974-R976 VanDerWaalsContact C-N 3.3Å; K974-R976 PolarHBondContact O-N 3.25Å; K974-V977 PolarHBondContact O-N 3.29Å; K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 3.41Å; K974-A978 VanDerWaalsContact O-N 3.08Å
975Q56.9Low60.5Low130 Ų130121.4 Ų121.461%0.60766%0.655SS**Hα-helixtrans-64.7-30.9178.3-75.8179.3-11.700113.2E971 S973E971-Q975 WeakPolarHBondContact O-CB 3.22Å; E971-Q975 WeakPolarHBondContact O-CG 3.46Å; E971-Q975 PolarHBondContact O-N 2.91Å; S973-Q975 PolarHBondContact O-N 3.47Å
976R50.2Low58.5Low211 Ų211124.4 Ų124.480%0.79667%0.67SS**Hα-helixtrans-77.9-20.5174.4-76.5-177.6177.5-122.2-2.1114.3R972 S973 K974R972-R976 WeakPolarHBondContact O-CB 3.44Å; R972-R976 WeakPolarHBondContact O-CG 3.47Å; R972-R976 PolarHBondContact O-N 3.28Å; R972-R976 VanDerWaalsContact O-N 3.08Å; S973-R976 PolarHBondContact O-N 2.85Å; K974-R976 VanDerWaalsContact C-N 3.3Å; K974-R976 PolarHBondContact O-N 3.25Å
977V50.1Low56.3Low130 Ų130126 Ų12679%0.78868%0.683SS**Hα-helixtrans-86-24.5173.6173.40000111.8S973 K974S973-V977 WeakPolarHBondContact O-CG2 3.42Å; S973-V977 PolarHBondContact O-N 2.84Å; S973-V977 VanDerWaalsContact O-N 3.08Å; K974-V977 PolarHBondContact O-N 3.29Å
978A44.3Very low53.9Low93 Ų93126.5 Ų126.577%0.76970%0.696SS**SBendtrans-92.112.5-176.500000115.3K974K974-A978 WeakPolarHBondContact O-CB 3.48Å; K974-A978 PolarHBondContact O-N 3.41Å; K974-A978 VanDerWaalsContact O-N 3.08Å
979G37.2Very low51.6Low56 Ų56126 Ų12658%0.57771%0.708SS**SBendtrans-145.821.2-15700000119.7
980T35.1Very low49.7Very low126 Ų126122.9 Ų122.977%0.77371%0.712SS**  trans-149.477.2174.753.40000114.4
981Q36Very low47.3Very low200 Ų200124 Ų12494%0.93573%0.733SS**  trans-149.1103.2158.7-74.5-16023.200112
982A34.9Very low45.1Very low101 Ų101122.6 Ų122.684%0.83575%0.749SS**  trans-164.5103.6161.500000109.9
983P35.2Very low43Very low117 Ų117124.1 Ų124.176%0.7676%0.76SS**  trans-97.9148.2177.535.8-31.6000112.7
984A37.9Very low41.2Very low95 Ų95129.3 Ų129.379%0.78578%0.782SS**  trans-135.2143.616700000109.7
985K36Very low39.8Very low168 Ų168126.7 Ų126.773%0.7378%0.783SS**  trans-114148.3-178.7-94-174.9174.5-178.30111N318N318-K985 PolarHBondContact ND2-O 2.86Å
986P36.7Very low38.9Very low119 Ų119129.4 Ų129.477%0.77380%0.798SS**  trans-90.9160.2175.637.5-35.2000112.7
987T36.4Very low38.3Very low118 Ų118123.2 Ų123.272%0.72479%0.792SS**  trans-170.6134.3140.8-1770000112.1
988S39Very low37.8Very low120 Ų120125.6 Ų125.684%0.83980%0.795SS**  trans-168.7149.914259.90000109.1
989A37Very low37.5Very low92 Ų92126.6 Ų126.676%0.7680%0.796SS**  trans-139.6-169.8-175.200000108.1
990P45.6Very low37.5Very low121 Ų121127.8 Ų127.879%0.78681%0.808SS**  cis-142.1-173.10.743.7-24.9000116.5
991A36.9Very low37.6Very low106 Ų106127.2 Ų127.288%0.87682%0.816SS**  trans72135.9147.100000122.1
992G37Very low37.3Very low82 Ų82121 Ų12185%0.84581%0.805SS**  trans156.7120.8167.200000113.1
993K35.4Very low37.2Very low203 Ų203124.2 Ų124.288%0.88381%0.808SS**  trans-96.5145.2179.1-57.2171.9-177.3173.90111.1
994L39.3Very low37.2Very low173 Ų173125.1 Ų125.191%0.90681%0.811SS**  168.5-172.7129-88.8162.7000111.9
995S38.5Very low37Very low99 Ų99125 Ų12569%0.69281%0.81SS**  trans-131136.4-140.257.10000118.7
996M38Very low37.1Very low187 Ų187122.8 Ų122.892%0.92181%0.814SS**  trans70.1143.8137.2-153.7173.978.500121.9
997A37.1Very low37.5Very low82 Ų82122.7 Ų122.768%0.67881%0.814SS**  trans101.492.9152.300000121.3
998Q41.1Very low37.3Very low180 Ų180123.6 Ų123.684%0.84181%0.814SS**  89.1115.1118.3-156.8178-6500122.6
999S37.5Very low37.5Very low113 Ų113123.8 Ų123.879%0.7981%0.81SS**  trans61122.5149.468.60000121.7
1000G37.2Very low37.9Very low81 Ų81124.6 Ų124.684%0.83581%0.808SS**  trans169.1138.1164.300000109.5
1001A36Very low37.2Very low114 Ų114126.7 Ų126.794%0.94281%0.807SS**  trans-113.5131.1-174.100000112.4
1002G30.3Very low37.2Very low69 Ų69129.3 Ų129.371%0.71180%0.803SS**  trans141.1121.4161.900000115.6
1003L32.8Very low37.8Very low170 Ų170129.9 Ų129.989%0.8979%0.792SS**  trans69.6130.6154.8-64.1162.1000119.7
1004V35.2Very low37.7Very low135 Ų135130.5 Ų130.582%0.81879%0.789SS**  trans77.2135.5151.4175.20000119.7
1005A34.2Very low37.4Very low93 Ų93133.2 Ų133.277%0.76979%0.787SS**  trans75.1167.1160.600000120.8
1006C37.5Very low37.5Very low121 Ų121131.7 Ų131.782%0.81879%0.787SS**  trans-108.3-171-171.7-32.70000110.4
1007P45.2Very low37.7Very low118 Ų118130.7 Ų130.777%0.76678%0.784SS**  cis-133.1175-3035.7-18000114.7
1008N32.9Very low37.6Very low137 Ų137135.9 Ų135.973%0.73379%0.791SS**  trans76.5100145.7-155.133.3000122.6
1009T43.3Very low37.6Very low123 Ų123132.9 Ų132.976%0.75579%0.79SS**  trans64.2165.7155.255.50000118.9
1010P44.9Very low37.6Very low109 Ų109131.8 Ų131.871%0.70879%0.787SS**  cis-130.8-174.92.143.6-27000116.6
1011E31.9Very low38.1Very low166 Ų166133.8 Ų133.878%0.77679%0.786SS**  trans51.1119.5147.2-88.8-159.3104.300125.4
1012M35.4Very low38.2Very low160 Ų160139.8 Ų139.879%0.78878%0.784SS**  70.4160.5125.1-71.8-78.6-82.600120.8
1013P49.1Very low38.7Very low94 Ų94140.5 Ų140.561%0.6178%0.783SS**  trans-121.2167.2-149.142.6-33.4000115.6
1014R34.4Very low39.2Very low217 Ų217136.8 Ų136.882%0.81978%0.777SS**  176.6150.7124.4-97.9152.2-177.4-168.51.9115
1015R33.1Very low39.4Very low229 Ų229136.7 Ų136.786%0.86478%0.779SS**  trans59.8110.7146-67167.8178.3-147.8-3.3118.9
1016G39.8Very low39.6Very low67 Ų67135.7 Ų135.769%0.69178%0.778SS**  trans-88.4175.6159.200000114.1
1017I41.7Very low39.3Very low167 Ų167135.8 Ų135.886%0.85678%0.78SS**  trans-146.2159.6178.550.6173000110.1
1018K36Very low38.6Very low191 Ų191133.6 Ų133.683%0.8378%0.778SS**  cis175.5100.7-45.7-110.3-178.2174.4-170.20109.4
1019S41.9Very low38.5Very low117 Ų117132.8 Ų132.882%0.81877%0.774SS**  trans-177.5111.2165.2340000109.1
1020A36.8Very low38Very low89 Ų89136.6 Ų136.674%0.73678%0.775SS**  cis80.2153.318.100000115.3
1021P47.2Very low37.4Very low124 Ų124137.4 Ų137.481%0.80578%0.778SS**  cis-80.8-152.7-7.239.3-38.5000111.1
1022R39.1Very low37.3Very low240 Ų240133.8 Ų133.891%0.90678%0.776SS**  cis-156.1156.2-0.1-137.6-171.2-169.9-177.83.1104.7
1023A40.8Very low37Very low84 Ų84137.2 Ų137.269%0.69478%0.78SS**  cis-146.9149-3.900000107
1024A42.9Very low36.3Very low92 Ų92141.4 Ų141.476%0.7679%0.791SS**  75142.184.400000116.2
1025P40.3Very low36.2Very low133 Ų133136.4 Ų136.486%0.86479%0.789SS**  cis-137.5168.2-36.138.7-22.9000114.9
1026G38Very low36.7Very low71 Ų71133.6 Ų133.673%0.73279%0.788SS**  trans123.394.7173.300000112.6
1027S31.2Very low37.2Very low123 Ų123134.2 Ų134.286%0.8678%0.78SS**  59.6109.579.2-162.30000111.4
1028G30.7Very low37.4Very low72 Ų72134.1 Ų134.174%0.74277%0.769SS**  114156.264.600000107.6
1029N30.4Very low37.3Very low120 Ų120128.4 Ų128.464%0.64275%0.745SS**  cis-156.6142.93.7-127.3-34.4000109.8
1030R31.9Very low37.3Very low203 Ų203127.7 Ų127.777%0.76674%0.736SS**  trans38.5128.5137-79-173.6-79.7178-1.5123.7
1031V32.5Very low37.6Very low127 Ų127128.2 Ų128.277%0.7773%0.734SS**  89.2102.7120.9174.30000121.6
1032A30.3Very low37.4Very low89 Ų89129.3 Ų129.374%0.73673%0.733SS**  71.9168.2128.200000123.3
1033R30Very low37.8Very low233 Ų233121.7 Ų121.788%0.87972%0.716SS**  trans76.2111.5-178.2-56.6177.1174.1-129.5-4.8113.1
1034Q33.3Very low37.8Very low182 Ų182126.9 Ų126.985%0.8572%0.718SS**  80.1144.859.8-73.9-171-13.500113.9
1035S31.6Very low38Very low111 Ų111128.7 Ų128.778%0.77671%0.714SS**  trans71.9150.9-166.776.90000115
1036M45.5Very low38.1Very low171 Ų171127 Ų12784%0.84271%0.711SS**  cis-154.8164.8-28-103.9-39-176.200108.9
1037P49.4Very low38.4Very low80 Ų80131.7 Ų131.752%0.51971%0.714SS.*  trans-90.7168.2-168.537.1-38000114.6
1038R45.4Very low38.8Very low164 Ų164132.9 Ų132.962%0.61971%0.706SS**  trans-135.679.4165.4-155.4170.2-170.3125.4-0.3113.7Q779Q779-R1038 HydrophobicContact CB-CB 4.25Å; Q779-R1038 HydrophobicContact CG-CB 3.52Å; Q779-R1038 HydrophobicContact CG-CG 4.27Å
1039E35.3Very low39.4Very low72 Ų72136.3 Ų136.334%0.33671%0.712SS.*  trans-60.6-175.5145.9-41.9-49.4156.300110.8S776 S777S776-E1039 WeakPolarHBondContact CB-OE1 3.43Å; S776-E1039 VanDerWaalsContact CB-OE2 3.29Å; S776-E1039 WeakPolarHBondContact CB-OE2 3.46Å; S776-E1039 PolarHBondContact OG-OE1 3.48Å; S776-E1039 PolarHBondContact OG-OE2 3.02Å; S777-E1039 VanDerWaalsContact CB-CD 3.5Å; S777-E1039 VanDerWaalsContact CB-OE1 3.29Å; S777-E1039 WeakPolarHBondContact CB-OE1 3.22Å; S777-E1039 VanDerWaalsContact CB-OE2 3.22Å; S777-E1039 WeakPolarHBondContact CB-OE2 3.39Å; S777-E1039 PolarHBondContact N-OE1 2.76Å; S777-E1039 VanDerWaalsContact N-OE1 3.12Å; S777-E1039 PolarHBondContact OG-OE2 3.32Å
1040T41.3Very low40.3Very low101 Ų101134.9 Ų134.962%0.6271%0.71SS**  trans87.487.4174.472.70000116.7
1041S42.8Very low40.8Very low100 Ų100130.3 Ų130.370%0.69971%0.708SS**SBendtrans-159.4-55.4145.9-81.80000110.2S1043 R1044S1041-S1043 PolarHBondContact O-N 3.4Å; S1041-R1044 PolarHBondContact O-N 2.81Å
1042L42Very low41.3Very low147 Ų147128.5 Ų128.577%0.7770%0.701SS**G310 helixtrans-74.5-24.4-174.9-69.3170.6000114.6R1044 L1045L1042-R1044 PolarHBondContact O-N 2.94Å; L1042-R1044 VanDerWaalsContact O-N 3.1Å; L1042-L1045 PolarHBondContact O-N 2.97Å
1043S47.9Very low42Very low81 Ų81131.5 Ų131.557%0.56670%0.704SS**G310 helixtrans-63.5-14.5176.1-41.30000114.2S1041 Q1047S1041-S1043 PolarHBondContact O-N 3.4Å; S1043-Q1047 WeakPolarHBondContact O-CG 3.41Å; S1043-Q1047 PolarHBondContact O-OE1 3.44Å
1044R42.4Very low42.8Very low192 Ų192124.3 Ų124.373%0.72570%0.695SS**G310 helixtrans-82.5-32.1175.7-73.8-175.5171.3176.4-3.5113.4S1041 L1042S1041-R1044 PolarHBondContact O-N 2.81Å; L1042-R1044 PolarHBondContact O-N 2.94Å; L1042-R1044 VanDerWaalsContact O-N 3.1Å
1045L47Very low43.5Very low131 Ų131120.9 Ų120.969%0.68668%0.682SS**G310 helixtrans-78.8-32.3-174.9-167.761.4000112.4L1042 Q1047 Q1048L1042-L1045 PolarHBondContact O-N 2.97Å; L1045-Q1047 VanDerWaalsContact C-N 3.26Å; L1045-Q1047 PolarHBondContact O-N 3.46Å; L1045-Q1048 PolarHBondContact O-N 3.36Å
1046A40.6Very low44.4Very low96 Ų96118.3 Ų118.379%0.79367%0.668SS**G310 helixtrans-77.8-6.7175.300000114.2
1047Q46.2Very low44.4Very low170 Ų170115 Ų11579%0.79465%0.648SS**G310 helixtrans-96.53172.9-71.1-176.7-39.100112.6S1043 L1045S1043-Q1047 WeakPolarHBondContact O-CG 3.41Å; S1043-Q1047 PolarHBondContact O-OE1 3.44Å; L1045-Q1047 VanDerWaalsContact C-N 3.26Å; L1045-Q1047 PolarHBondContact O-N 3.46Å
1048Q38.5Very low44.5Very low149 Ų149117.4 Ų117.470%0.69665%0.651SS**SBendtrans-141.473.4-170.3-169-178.3-13.200112.5L1045L1045-Q1048 PolarHBondContact O-N 3.36Å
1049V44.2Very low44.7Very low143 Ų143116.6 Ų116.687%0.86765%0.654SS**SBendtrans-167.8139142.3136.70000108.1
1050P48.3Very low45.3Very low91 Ų91119.8 Ų119.859%0.59167%0.673SS**  trans-107.1140.9-146.51.621.3000115.5S1052P1050-S1052 PolarHBondContact O-N 2.84Å; P1050-S1052 PolarHBondContact O-OG 3.13Å
1051S42.8Very low45.5Very low106 Ų106120.2 Ų120.274%0.74167%0.671SS**SBend246.9129.557.90000124.5
1052S41.9Very low45.8Very low89 Ų89123.4 Ų123.462%0.62268%0.675SS**  trans-92.6-39.6-17057.60000115.2P1050 A1054P1050-S1052 PolarHBondContact O-N 2.84Å; P1050-S1052 PolarHBondContact O-OG 3.13Å; S1052-A1054 PolarHBondContact O-N 3.29Å
1053L45Very low46Very low152 Ų152121.2 Ų121.280%0.79667%0.667SS**Hα-helixtrans-70.4-34.5-170.3-166.567.6000113.7N1055 A1056L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.34Å; L1053-A1056 PolarHBondContact O-N 2.84Å
1054A47.5Very low45.6Very low82 Ų82121.4 Ų121.468%0.67867%0.674SS**Hα-helixtrans-72-15.9-175.700000114.3S1052S1052-A1054 PolarHBondContact O-N 3.29Å
1055N47.6Very low45.4Very low110 Ų110120.2 Ų120.259%0.58868%0.682SS**Hα-helixtrans-92.7-24.3179.4-70.3-21.4000112.8L1053 Q1059L1053-N1055 VanDerWaalsContact C-N 3.27Å; L1053-N1055 PolarHBondContact O-N 3.34Å; N1055-Q1059 PolarHBondContact O-N 2.94Å
1056A50.9Low44.7Very low57 Ų57118.3 Ų118.347%0.47169%0.685SS.*Hα-helixtrans-68.6-41.7-176.700000113L1053 K1058 Q1059 L1060L1053-A1056 PolarHBondContact O-N 2.84Å; A1056-K1058 PolarHBondContact O-N 3.35Å; A1056-Q1059 PolarHBondContact O-N 2.98Å; A1056-L1060 PolarHBondContact O-N 3.44Å
1057K45.6Very low44.3Very low101 Ų101117.4 Ų117.444%0.43969%0.685SS.*Hα-helixtrans-63.2-44-179.2-158-179.9179.3-179.50111Q1059 L1060 E1247 N1248K1057-Q1059 VanDerWaalsContact C-N 3.31Å; K1057-Q1059 PolarHBondContact O-N 2.8Å; K1057-L1060 PolarHBondContact O-N 2.85Å; K1057-E1247 WeakPolarHBondContact CB-OE2 3.2Å; K1057-E1247 HydrophobicContact CD-CB 4.08Å; K1057-E1247 HydrophobicContact CD-CG 4.14Å; K1057-E1247 WeakPolarHBondContact CD-OE2 3.18Å; K1057-E1247 HydrophobicContact CG-CG 4.15Å; K1057-E1247 WeakPolarHBondContact CG-OE2 3.39Å; K1057-N1248 PolarHBondContact NZ-O 3.17Å
1058K50.8Low43.8Very low131 Ų131116.1 Ų116.157%0.5769%0.689SS**Hα-helixtrans-61-29.7173-107.1-169.5173.4-1690115.5A1056 E1247A1056-K1058 PolarHBondContact O-N 3.35Å; K1058-E1247 WeakPolarHBondContact CA-OE1 3.13Å
1059Q50.9Low43.5Very low148 Ų148114.9 Ų114.969%0.69269%0.692SS**Hα-helixtrans-81.7-20.2-177.1-158.6170.619.900112.7N1055 A1056 K1057N1055-Q1059 PolarHBondContact O-N 2.94Å; A1056-Q1059 PolarHBondContact O-N 2.98Å; K1057-Q1059 VanDerWaalsContact C-N 3.31Å; K1057-Q1059 PolarHBondContact O-N 2.8Å
1060L47.1Very low43Very low139 Ų139113.2 Ų113.273%0.72869%0.686SS**Hα-helixtrans-89.2-26.8-179.4-172.560.1000113.4A1056 K1057 Q1062 T1063A1056-L1060 PolarHBondContact O-N 3.44Å; K1057-L1060 PolarHBondContact O-N 2.85Å; L1060-Q1062 VanDerWaalsContact C-N 3.34Å; L1060-T1063 PolarHBondContact O-OG1 3.42Å
1061L45.8Very low42.3Very low109 Ų109115.7 Ų115.757%0.57170%0.695SS**THydrogen-bonded Turntrans-86-5.9178.7-144.470.8000113.5V1246 E1247L1061-V1246 HydrophobicContact CD2-CG1 3.68Å; L1061-E1247 HydrophobicContact CD2-CG 4.33Å
1062Q47.9Very low41.9Very low168 Ų168114.5 Ų114.579%0.78569%0.686SS**THydrogen-bonded Turntrans-95.5-4.3-178.5-159.416437.900113.5L1060L1060-Q1062 VanDerWaalsContact C-N 3.34Å
1063T46.7Very low41.6Very low100 Ų100121.1 Ų121.161%0.61370%0.698SS**SBendtrans-110-0.1-173.747.30000114.7L1060L1060-T1063 PolarHBondContact O-OG1 3.42Å
1064A39.2Very low41.6Very low86 Ų86121.2 Ų121.271%0.71170%0.699SS**SBendtrans-92.97.7-179.900000114.7
1065N38.9Very low41.1Very low166 Ų166124.7 Ų124.789%0.88870%0.701SS**SBendtrans-133.841-173.8-102.9-24.7000112.6
1066A31.7Very low40.4Very low92 Ų92130 Ų13076%0.7671%0.713SS**  trans-157.3129.3171.900000112.7
1067G32.2Very low39.7Very low77 Ų77133.7 Ų133.779%0.79473%0.729SS**  trans86.5151.3-177.800000113.4
1068V36Very low39.6Very low143 Ų143137.4 Ų137.487%0.86775%0.748SS**  cis-126.5129.58.8174.80000112.1
1069T31.9Very low39.6Very low123 Ų123135.3 Ų135.376%0.75575%0.748SS**  trans-44.1145.1168.750.70000117.1
1070S34.1Very low39.4Very low108 Ų108137.8 Ų137.876%0.75576%0.757SS**  -180156.3101.854.10000115.7
1071N33.4Very low39.6Very low143 Ų143141.2 Ų141.277%0.76576%0.761SS**  trans65.490.3154.6-74-30000124
1072S33.8Very low39.9Very low81 Ų81142.8 Ų142.857%0.56677%0.768SS**  66.3115.1101-61.50000122.1
1073R36.6Very low39.9Very low228 Ų228138.2 Ų138.286%0.8675%0.748SS**  trans75.5137154.3-51.1157.3-164.8166.64.2113.6
1074D44.2Very low40.3Very low154 Ų154140.5 Ų140.582%0.82476%0.755SS**  cis-143.8-171.630.2-126.5-51.9000115.4
1075Q37.7Very low41.3Very low154 Ų154140.5 Ų140.572%0.7275%0.75SS**  trans-104.3155.3-175.6-57.5-178.416.500115.9
1076R33.2Very low41.9Very low221 Ų221140 Ų14083%0.83474%0.74SS**  trans102.8159.2148.1-56.5-171.8173.6-154.3-2.8119.3
1077V36.6Very low42.4Very low136 Ų136144.4 Ų144.482%0.82474%0.738SS**  trans7595.8168-162.60000116.5
1078Q43.2Very low42.9Very low178 Ų178149.8 Ų149.883%0.83274%0.74SS**  trans-94.3126.5169.3-86.4-91.6-33.800111K1080Q1078-K1080 PolarHBondContact O-N 2.82Å
1079P49.5Very low43.6Very low87 Ų87148.5 Ų148.557%0.56574%0.737SS**  trans-73.2121.7170.629.5-32.4000110.7Y1081P1079-Y1081 HydrophobicContact CB-CE2 4.25Å; P1079-Y1081 HydrophobicContact CG-CE2 4.23Å; P1079-Y1081 PolarHBondContact O-N 3.3Å
1080K46.7Very low44.1Very low201 Ų201147.9 Ų147.987%0.87474%0.744SS**  trans-9181.1-166.7-171.7176.7-179.7174.60112.5Q1078 M1082Q1078-K1080 PolarHBondContact O-N 2.82Å; K1080-M1082 PolarHBondContact O-N 2.86Å
1081Y52.7Low44.6Very low210 Ų210151.5 Ų151.582%0.82475%0.749SS**  trans-60.9133.1174.6-71.6-74.3000112.2P1079 D1083P1079-Y1081 HydrophobicContact CB-CE2 4.25Å; P1079-Y1081 HydrophobicContact CG-CE2 4.23Å; P1079-Y1081 PolarHBondContact O-N 3.3Å; Y1081-D1083 PolarHBondContact O-N 3.17Å
1082M51.2Low45Very low143 Ų143149 Ų14970%0.70474%0.743SS**  trans-93.997.4-160.5-172.9153.853.300111.4K1080 I1084K1080-M1082 PolarHBondContact O-N 2.86Å; M1082-I1084 PolarHBondContact O-N 2.86Å
1083D49Very low45.3Very low71 Ų71150.5 Ų150.538%0.3875%0.745SS.*  trans-47.5100.2-179.8169.215.1000113.9Y1081 S1085 K1086Y1081-D1083 PolarHBondContact O-N 3.17Å; D1083-S1085 VanDerWaalsContact CG-OG 3.25Å; D1083-S1085 PolarHBondContact O-N 3.39Å; D1083-S1085 VanDerWaalsContact O-N 3.14Å; D1083-S1085 WeakPolarHBondContact OD1-CB 3.4Å; D1083-S1085 PolarHBondContact OD1-N 2.88Å; D1083-S1085 PolarHBondContact OD1-OG 2.82Å; D1083-S1085 PolarHBondContact OD2-OG 3.37Å; D1083-K1086 HydrophobicContact CB-CD 4.08Å; D1083-K1086 WeakPolarHBondContact O-CB 3.4Å; D1083-K1086 PolarHBondContact O-N 2.95Å; D1083-K1086 WeakPolarHBondContact OD2-CE 3.47Å; D1083-K1086 IonicContact OD2-NZ 3.49Å; D1083-K1086 PolarHBondContact OD2-NZ 2.99Å
1084I55.2Low45.6Very low149 Ų149147.4 Ų147.476%0.76475%0.745SS**G310 helixtrans-66.5-6.9-178.752.6174.3000114.4M1082 K1086 Y1087M1082-I1084 PolarHBondContact O-N 2.86Å; I1084-K1086 PolarHBondContact O-N 2.9Å; I1084-Y1087 PolarHBondContact O-N 3.35Å
1085S58.9Low45.5Very low86 Ų86149.7 Ų149.760%0.60175%0.748SS**G310 helixtrans-66.1-14.9169.376.50000113.1D1083D1083-S1085 VanDerWaalsContact CG-OG 3.25Å; D1083-S1085 PolarHBondContact O-N 3.39Å; D1083-S1085 VanDerWaalsContact O-N 3.14Å; D1083-S1085 WeakPolarHBondContact OD1-CB 3.4Å; D1083-S1085 PolarHBondContact OD1-N 2.88Å; D1083-S1085 PolarHBondContact OD1-OG 2.82Å; D1083-S1085 PolarHBondContact OD2-OG 3.37Å
1086K51.6Low45.8Very low154 Ų154147.8 Ų147.867%0.6774%0.743SS**G310 helixtrans-84.1-12.7-176.5-69.6160.1176.1140.40114.2D1083 I1084D1083-K1086 HydrophobicContact CB-CD 4.08Å; D1083-K1086 WeakPolarHBondContact O-CB 3.4Å; D1083-K1086 PolarHBondContact O-N 2.95Å; D1083-K1086 WeakPolarHBondContact OD2-CE 3.47Å; D1083-K1086 IonicContact OD2-NZ 3.49Å; D1083-K1086 PolarHBondContact OD2-NZ 2.99Å; I1084-K1086 PolarHBondContact O-N 2.9Å
1087Y42.1Very low46.3Very low186 Ų186148 Ų14873%0.72974%0.743SS**  trans-101.980.5172.3-69.7-72.1000111.3I1084I1084-Y1087 PolarHBondContact O-N 3.35Å
1088K43.7Very low46.7Very low190 Ų190150.7 Ų150.783%0.82674%0.744SS**  trans-131.696.3172.6-153160.2-169.7164.90109.8
1089S51Low46.6Very low115 Ų115147.8 Ų147.880%0.80473%0.734SS**  trans-66.9156.2-172.950.40000113Q1091S1089-Q1091 PolarHBondContact O-N 2.97Å
1090A41.4Very low46.3Very low110 Ų110152.6 Ų152.691%0.90976%0.755SS**SBendtrans-87.160.5-158.400000114.8
1091Q44.8Very low46.1Very low185 Ų185146.7 Ų146.786%0.86474%0.744SS**SBendtrans-147.496.8173.3-146.5167.1-26.200112.6S1089S1089-Q1091 PolarHBondContact O-N 2.97Å
1092S41.9Very low45.6Very low90 Ų90145.9 Ų145.963%0.62974%0.744SS**SBendtrans168.6-36.5163.939.70000113.1N1094S1092-N1094 VanDerWaalsContact C-N 3.33Å; S1092-N1094 PolarHBondContact O-N 3.17Å
1093N40.8Very low45.1Very low112 Ų112144.2 Ų144.260%0.59975%0.747SS**G310 helixtrans-87.112.3-165.7-81.9-96.1000115.5F1095 L1096N1093-F1095 PolarHBondContact O-N 3.02Å; N1093-L1096 HydrophobicContact CB-CD1 4.35Å; N1093-L1096 PolarHBondContact O-N 2.99Å
1094N43.2Very low44.4Very low163 Ų163145.8 Ų145.887%0.87276%0.759SS**G310 helixtrans-75.76.1178.5-89.2-5.6000114.9S1092S1092-N1094 VanDerWaalsContact C-N 3.33Å; S1092-N1094 PolarHBondContact O-N 3.17Å
1095F41.3Very low43.5Very low202 Ų202144.2 Ų144.289%0.88675%0.752SS**G310 helixtrans-98.47.4167.9-68.5-72000113.9N1093 R1097N1093-F1095 PolarHBondContact O-N 3.02Å; F1095-R1097 PolarHBondContact O-N 3.2Å
1096L44.5Very low42.5Very low115 Ų115148.1 Ų148.160%0.60276%0.758SS**SBendtrans-67115.2160.1-91.978.6000109.6N1093N1093-L1096 HydrophobicContact CB-CD1 4.35Å; N1093-L1096 PolarHBondContact O-N 2.99Å
1097R42.9Very low42Very low226 Ų226145.2 Ų145.285%0.85376%0.755SS**SBendtrans69.483.8168.2-46.5163.1-177.1163.7-3.2115.4F1095F1095-R1097 PolarHBondContact O-N 3.2Å
1098K45.6Very low41.7Very low192 Ų192141 Ų14184%0.83576%0.759SS**  trans-168.8133.1138.2-101.3140.6-169.1177.60112.3
1099N41.8Very low41.5Very low116 Ų116139.1 Ų139.162%0.6276%0.758SS**  trans6867.4157.8-54.2-22000119A1101N1099-A1101 HydrophobicContact CB-CB 4.43Å; N1099-A1101 PolarHBondContact O-N 2.88Å
1100D43.1Very low40.9Very low188 Ų188140.2 Ų140.2100%1.00575%0.75SS**THydrogen-bonded Turntrans-66.742148.1-67.3-68.8000112.1
1101A42.6Very low40.7Very low78 Ų78141.5 Ų141.565%0.64574%0.739SS**THydrogen-bonded Turntrans-137.65.9-165.400000113.6N1099N1099-A1101 HydrophobicContact CB-CB 4.43Å; N1099-A1101 PolarHBondContact O-N 2.88Å
1102K41.6Very low40.7Very low192 Ų192140.7 Ų140.784%0.83573%0.732SS**  trans-135.365.2-179.8-70-163.4174.6-1710113
1103S40Very low40.7Very low108 Ų108147.8 Ų147.876%0.75575%0.745SS**  trans-134.7140.6157.6-1720000110.2
1104T35.1Very low40.6Very low105 Ų105148 Ų14864%0.64476%0.756SS**SBendtrans87.774.7175.772.30000120.9
1105L35.5Very low40.7Very low116 Ų116145.7 Ų145.761%0.60775%0.75SS**  trans71.2122.8151-67.673.7000119.6K90K90-L1105 HydrophobicContact CD-CD2 4.34Å
1106K37.2Very low40.6Very low168 Ų168141.8 Ų141.873%0.7375%0.747SS**  -113.7136.2109.7-89.3-87.5-172.7171.90107.3E94E94-K1106 IonicContact OE1-NZ 3.29Å; E94-K1106 PolarHBondContact OE1-NZ 3.12Å
1107P41.8Very low40.3Very low92 Ų92141 Ų14160%0.59776%0.757SS**  trans-91.5170.6179.637.4-35.2000112.9
1108A35.9Very low40.1Very low98 Ų98135.2 Ų135.281%0.8175%0.752SS**  trans17.5125154.800000120.4
1109D38.8Very low40Very low151 Ų151131.4 Ų131.481%0.80775%0.749SS**  trans-147.7173.5133.3-146.4-24.8000110.5
1110Q38.4Very low39.9Very low138 Ų138134.6 Ų134.665%0.64576%0.762SS**  trans73.382.6173.9-56.7-63.6-23.500118.5
1111M38.8Very low39.7Very low136 Ų136129 Ų12967%0.6775%0.748SS**  81.2128.8126.7-69.1-161.7-174.900124.3
1112K44.6Very low39.9Very low168 Ų168134.1 Ų134.173%0.7376%0.764SS**  trans66.896.9140-63.5163.6-176164.30117.4
1113R41.4Very low39.7Very low240 Ų240129.5 Ų129.591%0.90676%0.756SS**  75.196.775.2-71.1177.1177.8-1122.1115
1114S38.2Very low39.7Very low116 Ų116135.8 Ų135.881%0.81176%0.763SS**  25.1153.3129.3-41.40000121.2
1115P44.8Very low39.8Very low115 Ų115133.7 Ų133.775%0.74776%0.762SS**  cis-151.9169.531.143.6-22.8000121.1
1116S38.9Very low39.6Very low120 Ų120137.2 Ų137.284%0.83978%0.776SS**  trans54109.2141.1-61.30000124.8
1117A38.9Very low39.9Very low97 Ų97132.8 Ų132.880%0.80278%0.778SS**  trans-173.7136.5133.700000108.6
1118S40Very low39.9Very low106 Ų106134.5 Ų134.574%0.74179%0.787SS**  cis-156.6156.9-9.3-75.10000110
1119S42.7Very low40.1Very low112 Ų112141.3 Ų141.378%0.78379%0.792SS**  trans46.4132.9152.7570000121.9
1120M39.4Very low40.3Very low183 Ų183138.8 Ų138.890%0.90179%0.792SS**  cis-144157.3-12.9-69.4-143.9-68.800107.4
1121G38.6Very low40.1Very low69 Ų69137.5 Ų137.571%0.71180%0.798SS**  71.6120.188.200000112.1
1122L46.7Very low39.8Very low186 Ų186138.6 Ų138.697%0.97481%0.807SS**  cis-124.817419.3-67.5169.7000113.3
1123S37.3Very low39.8Very low95 Ų95142 Ų14266%0.66482%0.815SS**  trans-154.2149.9-169.167.90000114.3
1124R39.9Very low39.4Very low240 Ų240135.2 Ų135.291%0.90680%0.804SS**  trans70.1151.9166.1-58.4162.3173.5159.6-3.7115.2
1125G37.4Very low39.2Very low61 Ų61135.1 Ų135.163%0.62980%0.799SS**  cis130.3153.1-1.400000112.9
1126E31.4Very low38.7Very low191 Ų191140.7 Ų140.789%0.89381%0.805SS**  trans55.5114.3176.5-9850.3-131.400117.8
1127G44Very low38.5Very low75 Ų75140.7 Ų140.777%0.77381%0.805SS**  trans-149.126.2-166.500000119.1
1128T42Very low38.5Very low128 Ų128140.3 Ų140.379%0.78580%0.801SS**  trans53.194.7151.6-50.90000120.1
1129R39.5Very low38.2Very low240 Ų240140 Ų14091%0.90681%0.806SS**  49.686.5122.1-169.2-156.9-168.6-160.66.6118.9
1130A42.7Very low38Very low98 Ų98140.7 Ų140.781%0.8181%0.81SS**  trans-141118.7148.900000108.4
1131S35Very low37.7Very low111 Ų111136 Ų13678%0.77680%0.801SS**  cis69.6124.239.9-163.20000114
1132N32.6Very low37.7Very low160 Ų160141.6 Ų141.686%0.85681%0.811SS**  trans-64.1165.7178-65.2-75.1000112.8
1133R43.7Very low37.5Very low238 Ų238139.7 Ų139.790%0.89880%0.801SS**  trans109.575.3147.3-155.4-177.5-159.4-176.15.6118.4
1134S34.7Very low37.6Very low98 Ų98140.4 Ų140.469%0.68580%0.802SS**  72.6151.4111.5-157.50000121.5
1135V33.6Very low37.6Very low114 Ų114133.8 Ų133.869%0.69179%0.793SS**  trans59.7123.2161.8-75.10000121.5
1136R33.4Very low37.7Very low233 Ų233136.5 Ų136.588%0.87980%0.797SS**  trans54.7126.9135.8-59.3171.2167-170.2-7.1117.1
1137S35Very low38.2Very low119 Ų119133.7 Ų133.783%0.83279%0.793SS**  -166.3179.550.1-48.60000108.4
1138A39.7Very low38Very low89 Ų89134.7 Ų134.774%0.73679%0.788SS**  cis-143.1153.40.700000106.8
1139A32.8Very low38.1Very low101 Ų101137.1 Ų137.184%0.83580%0.795SS**  cis77.575.236.900000114.8
1140S37.9Very low37.8Very low125 Ų125129.6 Ų129.687%0.87479%0.792SS**  trans-162.6146153.4-163.40000111.1
1141A33.4Very low37.3Very low85 Ų85129.2 Ų129.270%0.70280%0.799SS**  cis-169.5108-40.800000110
1142M39.4Very low37.4Very low187 Ų187127.4 Ų127.492%0.92180%0.797SS**  trans-152.994.6162.5-79.4-157.8168.900112.1
1143N41.3Very low37.6Very low145 Ų145127.6 Ų127.678%0.77580%0.798SS**  -174.2125.2109.1-115.6-6.7000113.4
1144T40.8Very low37.5Very low111 Ų111121.7 Ų121.768%0.68179%0.791SS**  trans38.9113.9140.458.30000121.5
1145S39.2Very low37.6Very low101 Ų101120 Ų12071%0.70679%0.788SS**  102.6109.3125.7-59.60000121.5
1146T40.3Very low37.7Very low117 Ų117120.4 Ų120.472%0.71880%0.797SS**  trans65.3121.3130.658.90000121.8
1147T41Very low37.9Very low133 Ų133120.1 Ų120.182%0.81680%0.796SS**  trans64.2144.4146.756.40000118.9
1148S41.1Very low38.1Very low96 Ų96122 Ų12267%0.67180%0.796SS**  cis-166.9150.9-14.748.10000109.8
1149L42.2Very low38.4Very low178 Ų178121.2 Ų121.293%0.93279%0.785SS**  trans36.1119.2150.7-65.8165.4000119.8
1150G33.7Very low39.2Very low82 Ų82120.4 Ų120.485%0.84577%0.774SS**  trans146.6107.9155.800000114.9
1151G32.7Very low39.7Very low91 Ų91116.9 Ų116.994%0.93875%0.752SS**  trans-89.3138.7171.200000112.1
1152G37.3Very low40.7Very low73 Ų73119.5 Ų119.575%0.75375%0.753SS**  trans-175.5122.7173.900000111.7P1154G1152-P1154 WeakPolarHBondContact O-CD 3.43Å
1153N36.6Very low41.2Very low163 Ų163119.8 Ų119.887%0.87274%0.744SS**  trans-94.5121.5-177.617821.5000111.3
1154P41.4Very low41.8Very low114 Ų114119.9 Ų119.974%0.7473%0.733SS**  trans-141.7140.3146.636.1-21.3000115.6G1152G1152-P1154 WeakPolarHBondContact O-CD 3.43Å
1155G37Very low42.4Very low62 Ų62119.1 Ų119.164%0.63973%0.725SS**  85.870.5125.700000119.8R1157G1155-R1157 PolarHBondContact O-N 2.79Å
1156S36Very low43.7Very low124 Ų124117.6 Ų117.687%0.86772%0.718SS**  trans21.492.9134.2-171.70000117.9
1157R37.1Very low45.1Very low227 Ų227115.5 Ų115.586%0.85771%0.708SS**  trans-157.5-3.8163.9-114.1146.7-165.1-167.12.7119.5G1155 S1159G1155-R1157 PolarHBondContact O-N 2.79Å; R1157-S1159 PolarHBondContact O-N 3.22Å
1158N40.4Very low46.6Very low157 Ų157113.4 Ų113.484%0.8470%0.695SS**  trans-105.473.4-169.5-6537.4000112.7
1159S44.6Very low48.3Very low73 Ų73114.4 Ų114.451%0.5169%0.693SS.*  trans-152.629.1-178.9-57.60000115.9R1157 R1163R1157-S1159 PolarHBondContact O-N 3.22Å; S1159-R1163 WeakPolarHBondContact O-CD 3.45Å; S1159-R1163 WeakPolarHBondContact O-CG 3.43Å; S1159-R1163 PolarHBondContact O-NE 3.41Å
1160S49.6Very low50.2Low84 Ų84113.1 Ų113.159%0.58768%0.68SS**SBendtrans-103.4-14.1-175.658.70000115.7
1161A48.5Very low52.6Low52 Ų52115.6 Ų115.643%0.4367%0.67SS.*SBendtrans-79.3-65.5175.700000111.3R1163 R1164A1161-R1163 PolarHBondContact O-N 3.43Å; A1161-R1164 WeakPolarHBondContact O-CB 3.2Å; A1161-R1164 PolarHBondContact O-N 3.48Å
1162I53.8Low55.3Low139 Ų139117.9 Ų117.971%0.71365%0.654SS**Hα-helixtrans-52.2-24.7-175.9-61.1164000113.8D1165I1162-D1165 WeakPolarHBondContact CA-OD2 3.23Å
1163R50.9Low57.7Low193 Ų193120.9 Ų120.973%0.72865%0.648SS**Hα-helixtrans-76.5-16.8176.5-64.3-172.7-169.5-132.31.4114.1S1159 A1161S1159-R1163 WeakPolarHBondContact O-CD 3.45Å; S1159-R1163 WeakPolarHBondContact O-CG 3.43Å; S1159-R1163 PolarHBondContact O-NE 3.41Å; A1161-R1163 PolarHBondContact O-N 3.43Å
1164R53.5Low60.2Low148 Ų148115.5 Ų115.556%0.55863%0.626SS**Hα-helixtrans-79.6-41.6175.5-57.6-165.4-155100.90.1111.4A1161 A1166 S1167 V1168A1161-R1164 WeakPolarHBondContact O-CB 3.2Å; A1161-R1164 PolarHBondContact O-N 3.48Å; R1164-A1166 VanDerWaalsContact C-N 3.31Å; R1164-A1166 PolarHBondContact O-N 2.93Å; R1164-S1167 WeakPolarHBondContact O-CA 3.31Å; R1164-S1167 WeakPolarHBondContact O-CB 3.35Å; R1164-S1167 PolarHBondContact O-N 2.81Å; R1164-S1167 PolarHBondContact O-OG 3.32Å; R1164-V1168 PolarHBondContact O-N 3.43Å
1165D54.6Low62.6Low95 Ų95115.6 Ų115.651%0.50862%0.617SS.*Hα-helixtrans-63.9-38.9-171.2-44-44.8000111.2I1162 S1167 V1168 N1169I1162-D1165 WeakPolarHBondContact CA-OD2 3.23Å; D1165-S1167 VanDerWaalsContact C-N 3.27Å; D1165-S1167 PolarHBondContact O-N 2.85Å; D1165-V1168 PolarHBondContact O-N 3.14Å; D1165-N1169 PolarHBondContact O-N 2.95Å
1166A65.9Low65.1Low68 Ų68117.2 Ų117.256%0.56261%0.609SS**Hα-helixtrans-60.3-31.3170.600000113.8R1164 K1170R1164-A1166 VanDerWaalsContact C-N 3.31Å; R1164-A1166 PolarHBondContact O-N 2.93Å; A1166-K1170 WeakPolarHBondContact O-CB 3.37Å; A1166-K1170 PolarHBondContact O-N 3.19Å
1167S69.7Low67.7Low73 Ų73113.5 Ų113.551%0.5159%0.586SS.*Hα-helixtrans-78.9-33.8175.473.70000112.7R1164 D1165 K1170 Q1171R1164-S1167 WeakPolarHBondContact O-CA 3.31Å; R1164-S1167 WeakPolarHBondContact O-CB 3.35Å; R1164-S1167 PolarHBondContact O-N 2.81Å; R1164-S1167 PolarHBondContact O-OG 3.32Å; D1165-S1167 VanDerWaalsContact C-N 3.27Å; D1165-S1167 PolarHBondContact O-N 2.85Å; S1167-K1170 PolarHBondContact O-N 2.83Å; S1167-Q1171 PolarHBondContact O-N 3.15Å
1168V71.4Confident70.2Confident89 Ų89108.2 Ų108.254%0.53957%0.572SS.*Hα-helixtrans-68.8-45.9175.8176.90000110.8R1164 D1165 K1170 Q1171 K1172R1164-V1168 PolarHBondContact O-N 3.43Å; D1165-V1168 PolarHBondContact O-N 3.14Å; V1168-K1170 VanDerWaalsContact C-N 3.33Å; V1168-K1170 PolarHBondContact O-N 3.36Å; V1168-Q1171 WeakPolarHBondContact O-CB 3.3Å; V1168-Q1171 PolarHBondContact O-N 3.38Å; V1168-Q1171 VanDerWaalsContact O-N 3.15Å; V1168-K1172 PolarHBondContact O-N 2.85Å
1169N76.9Confident72.5Confident117 Ų117109.4 Ų109.463%0.62657%0.565SS**Hα-helixtrans-61-41175-94.4-3.8000112.1D1165 Q1171 K1172 E1173D1165-N1169 PolarHBondContact O-N 2.95Å; N1169-Q1171 VanDerWaalsContact C-N 3.3Å; N1169-Q1171 PolarHBondContact O-N 3.3Å; N1169-K1172 PolarHBondContact O-N 2.89Å; N1169-E1173 WeakPolarHBondContact O-CB 3.36Å; N1169-E1173 PolarHBondContact O-N 3.46Å
1170K83.4Confident74.7Confident151 Ų151112.2 Ų112.266%0.65757%0.568SS**Hα-helixtrans-67.1-29.8176.2-168.1163.4-172.5165.70113.1A1166 S1167 V1168 A1174A1166-K1170 WeakPolarHBondContact O-CB 3.37Å; A1166-K1170 PolarHBondContact O-N 3.19Å; S1167-K1170 PolarHBondContact O-N 2.83Å; V1168-K1170 VanDerWaalsContact C-N 3.33Å; V1168-K1170 PolarHBondContact O-N 3.36Å; K1170-A1174 WeakPolarHBondContact O-CB 3.37Å; K1170-A1174 PolarHBondContact O-N 2.87Å; K1170-A1174 VanDerWaalsContact O-N 3.16Å
1171Q83.4Confident76.6Confident134 Ų134117.3 Ų117.363%0.62658%0.575SS**Hα-helixtrans-69.1-45.9170.2-171-178.5-5600111.2S1167 V1168 N1169 E1173 A1174 E1175S1167-Q1171 PolarHBondContact O-N 3.15Å; V1168-Q1171 WeakPolarHBondContact O-CB 3.3Å; V1168-Q1171 PolarHBondContact O-N 3.38Å; V1168-Q1171 VanDerWaalsContact O-N 3.15Å; N1169-Q1171 VanDerWaalsContact C-N 3.3Å; N1169-Q1171 PolarHBondContact O-N 3.3Å; Q1171-E1173 VanDerWaalsContact C-N 3.33Å; Q1171-E1173 PolarHBondContact O-N 3.45Å; Q1171-A1174 PolarHBondContact O-N 3.01Å; Q1171-E1175 WeakPolarHBondContact O-CB 3.11Å; Q1171-E1175 PolarHBondContact O-N 3.37Å
1172K88.7Confident78.4Confident140 Ų140124.9 Ų124.961%0.60959%0.592SS**Hα-helixtrans-62.3-37.4177.9-170.5175.9-178.7178.80112.5V1168 N1169 E1175 M1176V1168-K1172 PolarHBondContact O-N 2.85Å; N1169-K1172 PolarHBondContact O-N 2.89Å; K1172-E1175 PolarHBondContact O-N 3.23Å; K1172-M1176 WeakPolarHBondContact O-CB 3.35Å; K1172-M1176 PolarHBondContact O-N 3.47Å
1173E88.1Confident80Confident135 Ų135122.5 Ų122.563%0.63159%0.587SS**Hα-helixtrans-63.7-47.5172.4-172.9-168.6175.100111.7N1169 Q1171 E1175 M1176 A1177N1169-E1173 WeakPolarHBondContact O-CB 3.36Å; N1169-E1173 PolarHBondContact O-N 3.46Å; Q1171-E1173 VanDerWaalsContact C-N 3.33Å; Q1171-E1173 PolarHBondContact O-N 3.45Å; E1173-E1175 VanDerWaalsContact C-N 3.31Å; E1173-E1175 PolarHBondContact O-N 3.22Å; E1173-M1176 PolarHBondContact O-N 2.57Å; E1173-A1177 WeakPolarHBondContact O-CB 3.29Å; E1173-A1177 PolarHBondContact O-N 3.15Å
1174A89.6Confident81.8Confident50 Ų50118.7 Ų118.741%0.41359%0.586SS.*Hα-helixtrans-63.4-36.7176.900000112.3K1170 Q1171 A1177 M1178K1170-A1174 WeakPolarHBondContact O-CB 3.37Å; K1170-A1174 PolarHBondContact O-N 2.87Å; K1170-A1174 VanDerWaalsContact O-N 3.16Å; Q1171-A1174 PolarHBondContact O-N 3.01Å; A1174-A1177 PolarHBondContact O-N 2.76Å; A1174-M1178 WeakPolarHBondContact O-CG 3.29Å; A1174-M1178 PolarHBondContact O-N 3.29Å
1175E91.3Very high83.5Confident116 Ų116118.7 Ų118.754%0.54259%0.587SS.*Hα-helixtrans-67.5-45.5175.5-173.1161.1-156.400111.9Q1171 K1172 E1173 A1177 M1178 W1179Q1171-E1175 WeakPolarHBondContact O-CB 3.11Å; Q1171-E1175 PolarHBondContact O-N 3.37Å; K1172-E1175 PolarHBondContact O-N 3.23Å; E1173-E1175 VanDerWaalsContact C-N 3.31Å; E1173-E1175 PolarHBondContact O-N 3.22Å; E1175-A1177 VanDerWaalsContact C-N 3.31Å; E1175-A1177 PolarHBondContact O-N 3.27Å; E1175-M1178 PolarHBondContact O-N 3.33Å; E1175-W1179 WeakPolarHBondContact O-CB 3.32Å; E1175-W1179 PolarHBondContact O-N 3.45Å
1176M89.9Confident85.2Confident96 Ų96118 Ų11847%0.47358%0.583SS.*Hα-helixtrans-56.6-41.8169.2-88.6-93.3-98.400112.4K1172 E1173 W1179 K1180K1172-M1176 WeakPolarHBondContact O-CB 3.35Å; K1172-M1176 PolarHBondContact O-N 3.47Å; E1173-M1176 PolarHBondContact O-N 2.57Å; M1176-W1179 PolarHBondContact O-N 3.17Å; M1176-K1180 WeakPolarHBondContact O-CB 3.29Å; M1176-K1180 WeakPolarHBondContact O-CG 3.46Å; M1176-K1180 PolarHBondContact O-N 2.81Å
1177A89.3Confident86.3Confident46 Ų46118.8 Ų118.838%0.3858%0.582SS.*Hα-helixtrans-68-36.5176.800000112.6E1173 A1174 E1175 R1181E1173-A1177 WeakPolarHBondContact O-CB 3.29Å; E1173-A1177 PolarHBondContact O-N 3.15Å; A1174-A1177 PolarHBondContact O-N 2.76Å; E1175-A1177 VanDerWaalsContact C-N 3.31Å; E1175-A1177 PolarHBondContact O-N 3.27Å; A1177-R1181 WeakPolarHBondContact O-CB 3.2Å; A1177-R1181 WeakPolarHBondContact O-CG 3.41Å; A1177-R1181 PolarHBondContact O-N 3.44Å; A1177-R1181 VanDerWaalsContact O-N 3.08Å
1178M90.2Very high86.9Confident116 Ų116122.8 Ų122.857%0.57160%0.595SS**Hα-helixtrans-68.3-41.9172.5-75.3-171.6-67.300112A1174 E1175 R1181 R1182A1174-M1178 WeakPolarHBondContact O-CG 3.29Å; A1174-M1178 PolarHBondContact O-N 3.29Å; E1175-M1178 PolarHBondContact O-N 3.33Å; M1178-R1181 PolarHBondContact O-N 2.96Å; M1178-R1182 WeakPolarHBondContact O-CB 3.33Å; M1178-R1182 PolarHBondContact O-N 3.38Å
1179W88.7Confident87.8Confident182 Ų182125.2 Ų125.269%0.68960%0.598SS**Hα-helixtrans-64.5-46.6177.7-173.439.1000111.3E1175 M1176 R1181 R1182 S1183E1175-W1179 WeakPolarHBondContact O-CB 3.32Å; E1175-W1179 PolarHBondContact O-N 3.45Å; M1176-W1179 PolarHBondContact O-N 3.17Å; W1179-R1181 PolarHBondContact O-N 2.76Å; W1179-R1182 CarbonylContact O-C 3.55Å; W1179-R1182 PolarHBondContact O-N 3.08Å; W1179-S1183 PolarHBondContact O-N 3.47Å; W1179-S1183 PolarHBondContact O-OG 2.98Å
1180K91.2Very high88.3Confident132 Ų132121 Ų12157%0.57458%0.579SS**Hα-helixtrans-55.8-46.1172.6-75179.9179-174.50112.1M1176 R1182 S1183 T1184M1176-K1180 WeakPolarHBondContact O-CB 3.29Å; M1176-K1180 WeakPolarHBondContact O-CG 3.46Å; M1176-K1180 PolarHBondContact O-N 2.81Å; K1180-R1182 VanDerWaalsContact C-N 3.28Å; K1180-R1182 PolarHBondContact O-N 3.31Å; K1180-S1183 PolarHBondContact O-N 3.17Å; K1180-S1183 PolarHBondContact O-OG 3.36Å; K1180-T1184 WeakPolarHBondContact O-CG2 3.4Å; K1180-T1184 PolarHBondContact O-N 3.39Å; K1180-T1184 PolarHBondContact O-OG1 2.87Å
1181R88.7Confident88.3Confident192 Ų192116.8 Ų116.873%0.72557%0.573SS**Hα-helixtrans-60.3-37.1174.7-78174.7176.6173.10.7112.7A1177 M1178 W1179 T1184 Y1185A1177-R1181 WeakPolarHBondContact O-CB 3.2Å; A1177-R1181 WeakPolarHBondContact O-CG 3.41Å; A1177-R1181 PolarHBondContact O-N 3.44Å; A1177-R1181 VanDerWaalsContact O-N 3.08Å; M1178-R1181 PolarHBondContact O-N 2.96Å; W1179-R1181 PolarHBondContact O-N 2.76Å; R1181-T1184 PolarHBondContact O-OG1 3.37Å; R1181-T1184 VanDerWaalsContact O-OG1 3.12Å; R1181-Y1185 PolarHBondContact O-N 3.36Å
1182R87.3Confident88.3Confident211 Ų211113.3 Ų113.380%0.79657%0.567SS**Hα-helixtrans-80.4-30.3-176.1-156.5169.7-167.9167.20.9113.2M1178 W1179 K1180M1178-R1182 WeakPolarHBondContact O-CB 3.33Å; M1178-R1182 PolarHBondContact O-N 3.38Å; W1179-R1182 CarbonylContact O-C 3.55Å; W1179-R1182 PolarHBondContact O-N 3.08Å; K1180-R1182 VanDerWaalsContact C-N 3.28Å; K1180-R1182 PolarHBondContact O-N 3.31Å
1183S86.2Confident88.1Confident88 Ų88112.9 Ų112.962%0.61557%0.568SS**Hα-helixtrans-77.3-27.5170.760.40000112.9W1179 K1180 Y1185W1179-S1183 PolarHBondContact O-N 3.47Å; W1179-S1183 PolarHBondContact O-OG 2.98Å; K1180-S1183 PolarHBondContact O-N 3.17Å; K1180-S1183 PolarHBondContact O-OG 3.36Å; S1183-Y1185 VanDerWaalsContact C-N 3.31Å
1184T89Confident87.8Confident114 Ų114111.5 Ų111.570%0.69957%0.565SS**SBendtrans-842170.460.80000114.5K1180 R1181 D1186K1180-T1184 WeakPolarHBondContact O-CG2 3.4Å; K1180-T1184 PolarHBondContact O-N 3.39Å; K1180-T1184 PolarHBondContact O-OG1 2.87Å; R1181-T1184 PolarHBondContact O-OG1 3.37Å; R1181-T1184 VanDerWaalsContact O-OG1 3.12Å; T1184-D1186 PolarHBondContact O-N 3.31Å
1185Y88.9Confident87.6Confident148 Ų148119.1 Ų119.158%0.5858%0.582SS**  trans-84.899.6-178.3-177.1-100.7000111.1R1181 S1183 P1187 A1190R1181-Y1185 PolarHBondContact O-N 3.36Å; S1183-Y1185 VanDerWaalsContact C-N 3.31Å; Y1185-P1187 HydrophobicContact CD1-CG 4.32Å; Y1185-P1187 HydrophobicContact CE1-CB 4.38Å; Y1185-P1187 HydrophobicContact CE1-CG 4.07Å; Y1185-P1187 WeakPolarHBondContact O-CD 3.26Å; Y1185-A1190 HydrophobicContact CE2-CB 3.77Å
1186D92.1Very high87.4Confident79 Ų79121.7 Ų121.742%0.42259%0.587SS.*  trans-88.3114.3170.4171-5.3000109.9T1184 M1188 K1189 A1190T1184-D1186 PolarHBondContact O-N 3.31Å; D1186-M1188 VanDerWaalsContact C-N 3.34Å; D1186-M1188 PolarHBondContact O-N 2.96Å; D1186-M1188 WeakPolarHBondContact OD1-CA 3.45Å; D1186-M1188 WeakPolarHBondContact OD1-CB 3.36Å; D1186-M1188 PolarHBondContact OD1-N 3.1Å; D1186-K1189 HydrophobicContact CB-CB 3.8Å; D1186-K1189 VanDerWaalsContact CG-CB 3.47Å; D1186-K1189 PolarHBondContact O-N 3.38Å; D1186-K1189 PolarHBondContact OD1-N 3.37Å; D1186-K1189 VanDerWaalsContact OD2-CB 3.3Å; D1186-K1189 WeakPolarHBondContact OD2-CB 3.22Å; D1186-A1190 WeakPolarHBondContact O-CB 3.41Å; D1186-A1190 PolarHBondContact O-N 3.42Å
1187P89Confident87.4Confident85 Ų85123.8 Ų123.855%0.55259%0.594SS**Hα-helixtrans-64.6-32.5178.9-21.734.1000114Y1185 A1190 A1191Y1185-P1187 HydrophobicContact CD1-CG 4.32Å; Y1185-P1187 HydrophobicContact CE1-CB 4.38Å; Y1185-P1187 HydrophobicContact CE1-CG 4.07Å; Y1185-P1187 WeakPolarHBondContact O-CD 3.26Å; P1187-A1190 PolarHBondContact O-N 3.2Å; P1187-A1191 WeakPolarHBondContact O-CB 3.46Å; P1187-A1191 PolarHBondContact O-N 3.09Å
1188M82.3Confident87.2Confident157 Ų157129.3 Ų129.377%0.77361%0.609SS**Hα-helixtrans-70.1-42.5177.9-67.6179.561.600110.5D1186 A1191 A1192D1186-M1188 VanDerWaalsContact C-N 3.34Å; D1186-M1188 PolarHBondContact O-N 2.96Å; D1186-M1188 WeakPolarHBondContact OD1-CA 3.45Å; D1186-M1188 WeakPolarHBondContact OD1-CB 3.36Å; D1186-M1188 PolarHBondContact OD1-N 3.1Å; M1188-A1191 PolarHBondContact O-N 3.39Å; M1188-A1192 WeakPolarHBondContact O-CB 3.42Å; M1188-A1192 PolarHBondContact O-N 2.79Å
1189K89.6Confident86.8Confident140 Ų140127.6 Ų127.661%0.60960%0.6SS**Hα-helixtrans-63-41.7173.1-175.3177.3179.8-177.30111.8D1186 A1192 E1193D1186-K1189 HydrophobicContact CB-CB 3.8Å; D1186-K1189 VanDerWaalsContact CG-CB 3.47Å; D1186-K1189 PolarHBondContact O-N 3.38Å; D1186-K1189 PolarHBondContact OD1-N 3.37Å; D1186-K1189 VanDerWaalsContact OD2-CB 3.3Å; D1186-K1189 WeakPolarHBondContact OD2-CB 3.22Å; K1189-A1192 PolarHBondContact O-N 2.74Å; K1189-E1193 WeakPolarHBondContact O-CB 3.32Å; K1189-E1193 PolarHBondContact O-N 2.64Å
1190A86.8Confident86.4Confident28 Ų28124.3 Ų124.323%0.23159%0.592CS.*Hα-helixtrans-62.7-43175.800000112.3Y1185 D1186 P1187 E1193 D1194Y1185-A1190 HydrophobicContact CE2-CB 3.77Å; D1186-A1190 WeakPolarHBondContact O-CB 3.41Å; D1186-A1190 PolarHBondContact O-N 3.42Å; P1187-A1190 PolarHBondContact O-N 3.2Å; A1190-E1193 PolarHBondContact O-N 2.95Å; A1190-D1194 PolarHBondContact O-N 3.11Å
1191A84Confident86.1Confident63 Ų63120.9 Ų120.952%0.52159%0.588SS.*Hα-helixtrans-66.9-37.2175.800000112.7P1187 M1188 R1195P1187-A1191 WeakPolarHBondContact O-CB 3.46Å; P1187-A1191 PolarHBondContact O-N 3.09Å; M1188-A1191 PolarHBondContact O-N 3.39Å; A1191-R1195 WeakPolarHBondContact O-CB 3.26Å; A1191-R1195 PolarHBondContact O-N 2.87Å
1192A83.2Confident86Confident61 Ų61118.3 Ų118.350%0.50458%0.579SS.*Hα-helixtrans-66.8-38.8173.900000112.2M1188 K1189 R1196M1188-A1192 WeakPolarHBondContact O-CB 3.42Å; M1188-A1192 PolarHBondContact O-N 2.79Å; K1189-A1192 PolarHBondContact O-N 2.74Å; A1192-R1196 WeakPolarHBondContact O-CB 3.41Å; A1192-R1196 PolarHBondContact O-N 3.4Å
1193E83.8Confident85.7Confident132 Ų132115 Ų11562%0.61757%0.566SS**Hα-helixtrans-68.3-40.9176.2-170.5169.2178.900111.9K1189 A1190 R1196 K1197K1189-E1193 WeakPolarHBondContact O-CB 3.32Å; K1189-E1193 PolarHBondContact O-N 2.64Å; A1190-E1193 PolarHBondContact O-N 2.95Å; E1193-R1196 PolarHBondContact O-N 3.03Å; E1193-K1197 VanDerWaalsContact O-CB 3.26Å; E1193-K1197 WeakPolarHBondContact O-CB 3.47Å; E1193-K1197 PolarHBondContact O-N 2.66Å
1194D83.3Confident85.5Confident106 Ų106113.4 Ų113.457%0.56756%0.558SS**Hα-helixtrans-66.5-40.9174.6-165.565.3000112.1A1190 R1196 K1197 K1198A1190-D1194 PolarHBondContact O-N 3.11Å; D1194-R1196 VanDerWaalsContact C-N 3.34Å; D1194-R1196 PolarHBondContact O-N 3.19Å; D1194-K1197 PolarHBondContact O-N 2.83Å; D1194-K1198 WeakPolarHBondContact O-CB 3.31Å; D1194-K1198 PolarHBondContact O-N 3.31Å
1195R84.8Confident85Confident209 Ų209114.3 Ų114.379%0.78956%0.555SS**Hα-helixtrans-62.3-39.8174.2-165.9174.2-171.2164.53.1112.1A1191 E1199A1191-R1195 WeakPolarHBondContact O-CB 3.26Å; A1191-R1195 PolarHBondContact O-N 2.87Å; R1195-E1199 PolarHBondContact O-N 3.12Å
1196R87.4Confident84.5Confident170 Ų170111.1 Ų111.164%0.64255%0.548SS*.Hα-helixtrans-62.9-48.5171.5173.9-179.5168166.8-0.8111.1A1192 E1193 D1194 K1198 E1199 E1200A1192-R1196 WeakPolarHBondContact O-CB 3.41Å; A1192-R1196 PolarHBondContact O-N 3.4Å; E1193-R1196 PolarHBondContact O-N 3.03Å; D1194-R1196 VanDerWaalsContact C-N 3.34Å; D1194-R1196 PolarHBondContact O-N 3.19Å; R1196-K1198 VanDerWaalsContact C-N 3.3Å; R1196-K1198 PolarHBondContact O-N 3.47Å; R1196-E1199 PolarHBondContact O-N 3.14Å; R1196-E1199 VanDerWaalsContact O-N 3.15Å; R1196-E1200 IonicContact NE-OE2 3.65Å; R1196-E1200 WeakPolarHBondContact O-CB 3.39Å; R1196-E1200 PolarHBondContact O-N 3.44Å
1197K89Confident83.7Confident141 Ų141112.7 Ų112.761%0.61355%0.552SS**Hα-helixtrans-62.5-35.2-178.6-172.1176-177.3177.80112.5E1193 D1194 E1200 A1201E1193-K1197 VanDerWaalsContact O-CB 3.26Å; E1193-K1197 WeakPolarHBondContact O-CB 3.47Å; E1193-K1197 PolarHBondContact O-N 2.66Å; D1194-K1197 PolarHBondContact O-N 2.83Å; K1197-E1200 PolarHBondContact O-N 3.03Å; K1197-A1201 WeakPolarHBondContact O-CB 3.48Å; K1197-A1201 PolarHBondContact O-N 3.02Å
1198K86.6Confident82.9Confident161 Ų161111 Ų11170%0.755%0.545SS*.Hα-helixtrans-65.5-41.5173.4-171.8172.9-178.6176.30112.3D1194 R1196 R1202D1194-K1198 WeakPolarHBondContact O-CB 3.31Å; D1194-K1198 PolarHBondContact O-N 3.31Å; R1196-K1198 VanDerWaalsContact C-N 3.3Å; R1196-K1198 PolarHBondContact O-N 3.47Å; K1198-R1202 WeakPolarHBondContact O-CB 3.45Å; K1198-R1202 PolarHBondContact O-N 3.46Å
1199E80.3Confident82.2Confident80 Ų80109 Ų10937%0.37453%0.534SS..Hα-helixtrans-72.5-32.9175.2-177.459.3-168.600112.4R1195 R1196 R1202 R1203R1195-E1199 PolarHBondContact O-N 3.12Å; R1196-E1199 PolarHBondContact O-N 3.14Å; R1196-E1199 VanDerWaalsContact O-N 3.15Å; E1199-R1202 VanDerWaalsContact CD-NH2 3.34Å; E1199-R1202 PolarHBondContact O-N 3.26Å; E1199-R1202 IonicContact OE1-CZ 2.66Å; E1199-R1202 IonicContact OE1-NE 3.09Å; E1199-R1202 IonicContact OE1-NH2 2.65Å; E1199-R1202 PolarHBondContact OE1-NH2 2.71Å; E1199-R1202 IonicContact OE2-CZ 2.79Å; E1199-R1202 IonicContact OE2-NE 3.05Å; E1199-R1202 PolarHBondContact OE2-NE 3.43Å; E1199-R1202 IonicContact OE2-NH2 2.64Å; E1199-R1202 PolarHBondContact OE2-NH2 2.79Å; E1199-R1202 VanDerWaalsContact OE2-NH2 3.08Å; E1199-R1203 WeakPolarHBondContact O-CB 3.49Å; E1199-R1203 PolarHBondContact O-N 3.33Å
1200E81.6Confident81Confident113 Ų113110.2 Ų110.253%0.52854%0.535SS..Hα-helixtrans-67.9-41.1174.7-165.5155.5-166.700111.3R1196 K1197 R1203 A1204R1196-E1200 IonicContact NE-OE2 3.65Å; R1196-E1200 WeakPolarHBondContact O-CB 3.39Å; R1196-E1200 PolarHBondContact O-N 3.44Å; K1197-E1200 PolarHBondContact O-N 3.03Å; E1200-R1203 PolarHBondContact O-N 3.2Å; E1200-A1204 PolarHBondContact O-N 2.84Å
1201A84.8Confident79.7Confident60 Ų60115.5 Ų115.550%0.49656%0.555SS.*Hα-helixtrans-63.4-42170.200000112.6K1197 R1203 A1204 Q1205K1197-A1201 WeakPolarHBondContact O-CB 3.48Å; K1197-A1201 PolarHBondContact O-N 3.02Å; A1201-R1203 VanDerWaalsContact C-N 3.3Å; A1201-R1203 PolarHBondContact O-N 3.5Å; A1201-A1204 PolarHBondContact O-N 3.29Å; A1201-Q1205 PolarHBondContact O-N 3.2Å
1202R85.8Confident78.5Confident139 Ų139118.4 Ų118.453%0.52556%0.56SS.*Hα-helixtrans-63.6-35.8174.9-166177.874.1113.24.9112K1198 E1199 N1206K1198-R1202 WeakPolarHBondContact O-CB 3.45Å; K1198-R1202 PolarHBondContact O-N 3.46Å; E1199-R1202 VanDerWaalsContact CD-NH2 3.34Å; E1199-R1202 PolarHBondContact O-N 3.26Å; E1199-R1202 IonicContact OE1-CZ 2.66Å; E1199-R1202 IonicContact OE1-NE 3.09Å; E1199-R1202 IonicContact OE1-NH2 2.65Å; E1199-R1202 PolarHBondContact OE1-NH2 2.71Å; E1199-R1202 IonicContact OE2-CZ 2.79Å; E1199-R1202 IonicContact OE2-NE 3.05Å; E1199-R1202 PolarHBondContact OE2-NE 3.43Å; E1199-R1202 IonicContact OE2-NH2 2.64Å; E1199-R1202 PolarHBondContact OE2-NH2 2.79Å; E1199-R1202 VanDerWaalsContact OE2-NH2 3.08Å; R1202-N1206 PolarHBondContact O-N 3.19Å; R1202-N1206 VanDerWaalsContact O-N 3.17Å; R1202-N1206 PolarHBondContact O-ND2 3.32Å
1203R82.1Confident77.3Confident142 Ų142120.6 Ų120.654%0.53656%0.563SS.*Hα-helixtrans-66.9-47.7174.5-175.9176.2-117.787.95.9111.6E1199 E1200 A1201 Q1205 N1206 E1207E1199-R1203 WeakPolarHBondContact O-CB 3.49Å; E1199-R1203 PolarHBondContact O-N 3.33Å; E1200-R1203 PolarHBondContact O-N 3.2Å; A1201-R1203 VanDerWaalsContact C-N 3.3Å; A1201-R1203 PolarHBondContact O-N 3.5Å; R1203-Q1205 VanDerWaalsContact C-N 3.28Å; R1203-Q1205 PolarHBondContact O-N 3.27Å; R1203-N1206 WeakPolarHBondContact O-CB 3.41Å; R1203-N1206 PolarHBondContact O-N 3.28Å; R1203-N1206 VanDerWaalsContact O-N 3.11Å; R1203-E1207 PolarHBondContact O-N 3.36Å
1204A81.8Confident75.9Confident54 Ų54119.1 Ų119.145%0.44656%0.56SS.*Hα-helixtrans-61.1-36.4176.800000112.4E1200 A1201 E1207 A1208E1200-A1204 PolarHBondContact O-N 2.84Å; A1201-A1204 PolarHBondContact O-N 3.29Å; A1204-E1207 PolarHBondContact O-N 3.42Å; A1204-A1208 WeakPolarHBondContact O-CB 3.49Å; A1204-A1208 PolarHBondContact O-N 3.43Å
1205Q78.9Confident74.4Confident133 Ų133121.1 Ų121.162%0.62157%0.571SS**Hα-helixtrans-64.9-38.6173.9-172.5175.8-3.700112.4A1201 R1203 Q1209A1201-Q1205 PolarHBondContact O-N 3.2Å; R1203-Q1205 VanDerWaalsContact C-N 3.28Å; R1203-Q1205 PolarHBondContact O-N 3.27Å; Q1205-Q1209 PolarHBondContact O-N 3.25Å
1206N77.6Confident72.8Confident81 Ų81116.1 Ų116.143%0.43356%0.563SS.*Hα-helixtrans-69.7-34.9174.3-77.3-27.2000112.8R1202 R1203 Q1209 R1210R1202-N1206 PolarHBondContact O-N 3.19Å; R1202-N1206 VanDerWaalsContact O-N 3.17Å; R1202-N1206 PolarHBondContact O-ND2 3.32Å; R1203-N1206 WeakPolarHBondContact O-CB 3.41Å; R1203-N1206 PolarHBondContact O-N 3.28Å; R1203-N1206 VanDerWaalsContact O-N 3.11Å; N1206-Q1209 PolarHBondContact O-N 3.18Å; N1206-R1210 PolarHBondContact O-N 3.43Å; N1206-R1210 VanDerWaalsContact O-N 3.12Å
1207E75Confident71Confident112 Ų112115 Ų11552%0.52357%0.57SS.*Hα-helixtrans-68.3-40.6174.4-75.2171.4167.800111.3R1203 A1204 Q1209 R1210 Q1211R1203-E1207 PolarHBondContact O-N 3.36Å; A1204-E1207 PolarHBondContact O-N 3.42Å; E1207-Q1209 VanDerWaalsContact C-N 3.33Å; E1207-Q1209 PolarHBondContact O-N 3.01Å; E1207-R1210 PolarHBondContact O-N 3.14Å; E1207-R1210 VanDerWaalsContact O-N 3.14Å; E1207-Q1211 PolarHBondContact O-N 2.97Å
1208A73.3Confident68.8Low49 Ų49117.1 Ų117.141%0.40558%0.582SS.*Hα-helixtrans-63.4-35172.300000112.9A1204 R1210 I1212A1204-A1208 WeakPolarHBondContact O-CB 3.49Å; A1204-A1208 PolarHBondContact O-N 3.43Å; A1208-R1210 VanDerWaalsContact C-N 3.33Å; A1208-I1212 WeakPolarHBondContact O-CD1 3.33Å; A1208-I1212 WeakPolarHBondContact O-CG1 3.41Å
1209Q65.8Low66.9Low115 Ų115115.8 Ų115.854%0.53758%0.581SS.*Hα-helixtrans-71.8-23.4173.2-98.5-174-22.100113.8Q1205 N1206 E1207 N1213Q1205-Q1209 PolarHBondContact O-N 3.25Å; N1206-Q1209 PolarHBondContact O-N 3.18Å; E1207-Q1209 VanDerWaalsContact C-N 3.33Å; E1207-Q1209 PolarHBondContact O-N 3.01Å; Q1209-N1213 PolarHBondContact O-ND2 2.93Å
1210R66.1Low65.2Low165 Ų165117.9 Ų117.962%0.62360%0.602SS**Hα-helixtrans-73.7-49.1173.6-77.4-175.7143.5-76.3-4.6111.9N1206 E1207 A1208 I1212 N1213 D1214N1206-R1210 PolarHBondContact O-N 3.43Å; N1206-R1210 VanDerWaalsContact O-N 3.12Å; E1207-R1210 PolarHBondContact O-N 3.14Å; E1207-R1210 VanDerWaalsContact O-N 3.14Å; A1208-R1210 VanDerWaalsContact C-N 3.33Å; R1210-I1212 PolarHBondContact O-N 3.49Å; R1210-N1213 PolarHBondContact O-N 3.2Å; R1210-D1214 VanDerWaalsContact C-OD2 3.31Å; R1210-D1214 PolarHBondContact O-N 2.61Å; R1210-D1214 VanDerWaalsContact O-OD2 3.05Å
1211Q58.6Low62.9Low139 Ų139121.7 Ų121.765%0.6562%0.617SS**Hα-helixtrans-56.5-26178.1-68.8176.5-5.200113.4E1207E1207-Q1211 PolarHBondContact O-N 2.97Å
1212I58.7Low60.7Low125 Ų125127.9 Ų127.964%0.64164%0.635SS**Hα-helixtrans-80.1-18.2176.1-68.1169.1000113.4A1208 R1210A1208-I1212 WeakPolarHBondContact O-CD1 3.33Å; A1208-I1212 WeakPolarHBondContact O-CG1 3.41Å; R1210-I1212 PolarHBondContact O-N 3.49Å
1213N58.8Low58.3Low106 Ų106126.6 Ų126.657%0.56765%0.648SS**Hα-helixtrans-97.5-33.1175.8-72.6-90.3000112.3Q1209 R1210 D1215 V1216Q1209-N1213 PolarHBondContact O-ND2 2.93Å; R1210-N1213 PolarHBondContact O-N 3.2Å; N1213-D1215 PolarHBondContact O-N 3.2Å; N1213-V1216 PolarHBondContact O-N 3.21Å
1214D53.7Low56.4Low102 Ų102126.3 Ų126.355%0.54566%0.662SS.*Hα-helixtrans-69-18.6-178.4-57.5-47.3000112.5R1210 V1216R1210-D1214 VanDerWaalsContact C-OD2 3.31Å; R1210-D1214 PolarHBondContact O-N 2.61Å; R1210-D1214 VanDerWaalsContact O-OD2 3.05Å; D1214-V1216 VanDerWaalsContact C-N 3.33Å; D1214-V1216 PolarHBondContact O-N 3.43Å
1215D52.6Low54.4Low148 Ų148131.1 Ų131.179%0.79168%0.679SS**THydrogen-bonded Turntrans-81.26.8178-92.2-34.6000115N1213N1213-D1215 PolarHBondContact O-N 3.2Å
1216V51.2Low52.4Low103 Ų103136 Ų13662%0.62469%0.691SS**SBendtrans-110.3-20.9-170.2-173.90000114.3N1213 D1214N1213-V1216 PolarHBondContact O-N 3.21Å; D1214-V1216 VanDerWaalsContact C-N 3.33Å; D1214-V1216 PolarHBondContact O-N 3.43Å
1217D48.7Very low50.9Low147 Ų147137.2 Ų137.279%0.78670%0.704SS**SBendtrans-99-4.9-167.6-74.6-35.8000115.7I1219D1217-I1219 PolarHBondContact O-N 3.32Å
1218E42.7Very low49.1Very low185 Ų185135.7 Ų135.786%0.86471%0.71SS**  trans-96.780.6179.6-69.5-159.6151.400113.8
1219I47.4Very low47.4Very low133 Ų133140 Ų14068%0.68273%0.727SS**  trans-110.498.6164.2-57.6179.3000109.5D1217 F1221D1217-I1219 PolarHBondContact O-N 3.32Å; I1219-F1221 HydrophobicContact CG2-CD2 4.28Å; I1219-F1221 HydrophobicContact CG2-CE2 4.23Å; I1219-F1221 PolarHBondContact O-N 2.65Å
1220P44.3Very low46Very low125 Ų125141 Ų14181%0.81274%0.736SS**  trans-77.6115179.729.6-33.2000111.9
1221F33Very low44.6Very low193 Ų193141.1 Ų141.185%0.84675%0.746SS**  trans-91.7116.6171.3-93.5-98.4000111.2I1219I1219-F1221 HydrophobicContact CG2-CD2 4.28Å; I1219-F1221 HydrophobicContact CG2-CE2 4.23Å; I1219-F1221 PolarHBondContact O-N 2.65Å
1222E38.1Very low43.5Very low189 Ų189139.8 Ų139.888%0.88375%0.747SS**  trans-155.9151.8151.8-135179.2176.400114.5
1223S37Very low42.4Very low112 Ų112140.9 Ų140.978%0.78375%0.752SS**  trans67110.1174.5740000118.9
1224V41.2Very low41.4Very low137 Ų137141 Ų14183%0.8376%0.758SS**  -175.1120.3117.2151.60000110.6
1225L39.3Very low40.5Very low154 Ų154141.6 Ų141.681%0.80677%0.77SS**  trans15.2121.9159.2-89.759.3000123.8
1226R37.4Very low39.6Very low235 Ų235138.5 Ų138.589%0.88777%0.772SS**  80162.5128.4-103.8-170.5176.6175.10119.5
1227P47.1Very low38.8Very low107 Ų107137 Ų13770%0.69578%0.778SS**  -136.2177.8-106.844.8-27.8000117.5
1228A36.8Very low38.1Very low80 Ų80137.3 Ų137.366%0.66178%0.78SS**  trans61117.7156.500000117.7
1229N37.8Very low37.6Very low139 Ų139133.1 Ų133.174%0.74377%0.771SS**  -168.4146.371-87.1-56.5000113.3
1230N35.6Very low36.8Very low138 Ų138137.7 Ų137.774%0.73878%0.781SS**  trans20.5121.3133.3-51.5-5.9000117.1
1231M35.7Very low36.5Very low167 Ų167136.7 Ų136.782%0.82378%0.777SS**  -175.2126.562.8-113.4154.260.700113.3
1232T35.7Very low36.9Very low110 Ų110132.4 Ų132.468%0.67577%0.768SS**  51.4135.3103.9-49.20000122.2
1233I36.4Very low36.5Very low148 Ų148134.1 Ų134.176%0.75977%0.767SS**  trans73.2136.9158.8-78.4167.7000116.2
1234T37.6Very low36.4Very low110 Ų110135.7 Ų135.768%0.67577%0.766SS**  cis-160.3167-11.126.30000110.1
1235S34.7Very low36.2Very low114 Ų114134.4 Ų134.480%0.79776%0.763SS**  trans45.2129.2146.862.70000120.1
1236G34.7Very low36.3Very low82 Ų82130.5 Ų130.585%0.84575%0.746SS**  cis156.3-179.38.400000109.4
1237G34.1Very low36.5Very low72 Ų72122.2 Ų122.274%0.74272%0.717SS**  trans12396.6172.100000115.9
1238N33.5Very low36.3Very low154 Ų154122.1 Ų122.182%0.82471%0.711SS**  trans58.698.4138.8-63.822.1000121.1
1239S32.7Very low36.4Very low97 Ų97126.1 Ų126.168%0.67872%0.721SS**  80111.6115.6660000122.6
1240Y30.6Very low36.3Very low229 Ų229123.4 Ų123.490%0.89872%0.718SS**  65.2118.7127.9-75.9-82.5000122.6
1241S37.4Very low36.2Very low104 Ų104129 Ų12973%0.72773%0.729SS**  trans-82.9177.8142.8-126.10000110.1
1242P41.8Very low36.3Very low102 Ų102126.8 Ų126.866%0.66273%0.725SS**  cis-139.5-165.4-1.428.2-2.2000114.9
1243R29.5Very low36.4Very low225 Ų225128.2 Ų128.285%0.84973%0.727SS**  trans102.4132.4151.7-54.1178.981149.90.4120.6
1244N34.9Very low36.6Very low146 Ų146124.9 Ų124.978%0.78173%0.73SS**  trans12.6154.3149-64.615.6000124.3
1245S37.1Very low36.7Very low109 Ų109127.7 Ų127.776%0.76274%0.735SS**  trans74.3154.8150.1-88.60000117.3
1246V41.1Very low36.7Very low73 Ų73128 Ų12844%0.44274%0.738SS.*  cis-145.4-168.6-15.4790000108.1L1061 N1248L1061-V1246 HydrophobicContact CD2-CG1 3.68Å; V1246-N1248 WeakPolarHBondContact CG2-OD1 3.4Å
1247E41.6Very low36.7Very low61 Ų61128.9 Ų128.929%0.28573%0.731SS.*  trans143.173.6152.7-78.2154.7-144.700111.5K1057 K1058 L1061K1057-E1247 WeakPolarHBondContact CB-OE2 3.2Å; K1057-E1247 HydrophobicContact CD-CB 4.08Å; K1057-E1247 HydrophobicContact CD-CG 4.14Å; K1057-E1247 WeakPolarHBondContact CD-OE2 3.18Å; K1057-E1247 HydrophobicContact CG-CG 4.15Å; K1057-E1247 WeakPolarHBondContact CG-OE2 3.39Å; K1058-E1247 WeakPolarHBondContact CA-OE1 3.13Å; L1061-E1247 HydrophobicContact CD2-CG 4.33Å
1248N42.5Very low37.2Very low104 Ų104133.4 Ų133.456%0.55673%0.733SS**  64.9107.783.2-63.14.2000114.4K1057 V1246K1057-N1248 PolarHBondContact NZ-O 3.17Å; V1246-N1248 WeakPolarHBondContact CG2-OD1 3.4Å
1249D39.4Very low37.4Very low165 Ų165136.8 Ų136.888%0.88274%0.736SS**  -113.9144129.5-70.7-36.3000106.2
1250A36.3Very low37.7Very low81 Ų81135.7 Ų135.767%0.66974%0.739SS**  trans-111.2154.2-15600000115.1
1251W33.3Very low38.2Very low256 Ų256133.9 Ų133.997%0.9774%0.739SS**  trans-176.662.2133.1-94.7114.4000111.5
1252T37.8Very low38.7Very low121 Ų121139 Ų13974%0.74274%0.744SS**  trans-151.9132.5167.362.30000104.7
1253L37.9Very low39.3Very low139 Ų139139.4 Ų139.473%0.72875%0.746SS**  -164171.453.6-81.8153.6000110.3E1255L1253-E1255 HydrophobicContact CB-CG 4.07Å; L1253-E1255 HydrophobicContact CD1-CG 4.47Å; L1253-E1255 WeakPolarHBondContact CD1-OE1 3.1Å
1254G40.3Very low40.2Very low79 Ų79134.8 Ų134.881%0.81474%0.739SS**  trans-136.5126.1151.500000107.5
1255E38.7Very low41Very low168 Ų168134.4 Ų134.479%0.78574%0.737SS**  trans-110.9173.9-162.9-60-161.9138.200113.9L1253L1253-E1255 HydrophobicContact CB-CG 4.07Å; L1253-E1255 HydrophobicContact CD1-CG 4.47Å; L1253-E1255 WeakPolarHBondContact CD1-OE1 3.1Å
1256S35.5Very low41.2Very low122 Ų122139.5 Ų139.585%0.85374%0.741SS**  trans-114.8104.8-173.359.20000113.2
1257S34.2Very low41.8Very low100 Ų100143.9 Ų143.970%0.69976%0.762SS**  trans-164164.3158.7-139.40000106.7
1258E45.4Very low41.8Very low167 Ų167148 Ų14878%0.7878%0.781SS**  cis-148.8-155.312.3-160135.7131.700110.8
1259Y37.4Very low42.1Very low225 Ų225149 Ų14988%0.88279%0.787SS**  trans-58.8151170.3-79.2-131000110.4
1260G38.4Very low42.7Very low73 Ų73147.1 Ų147.175%0.75378%0.776SS**  93116.456.700000108.1
1261E42.7Very low43.3Very low192 Ų192150.9 Ų150.990%0.89778%0.78SS**  -170.6148.3101.1-173.7155-133.800109.5
1262Y46.4Very low44.1Very low210 Ų210145.3 Ų145.382%0.82477%0.765SS**  trans-96.7148172.3-109.3-95.3000109.3
1263P56Low44.6Very low111 Ų111147 Ų14772%0.72176%0.764SS**  -115.4119.1127.9-6.826.3000110.6
1264D48Very low45Very low128 Ų128142.9 Ų142.968%0.68476%0.755SS**  41.3148.8107.6-53.5-25.8000121.3
1265D50.4Low45.2Very low139 Ų139145.2 Ų145.274%0.74375%0.749SS**  trans85.298.9156.8-56.6-26.4000120.6
1266Y42.7Very low45.3Very low215 Ų215145.2 Ų145.284%0.84375%0.749SS**  trans-10.7140.6138.3-46-96.2000116.7
1267D52.6Low45.8Very low166 Ų166145.8 Ų145.889%0.88874%0.742SS**  -146.6170.794.4-133.7-31.7000111.8
1268E42.1Very low46.1Very low148 Ų148147.8 Ų147.869%0.69274%0.744SS**  trans-124.7156.3-167.9-166.4175.9-126.100110.5
1269N49.3Very low46.1Very low125 Ų125146.9 Ų146.967%0.66875%0.745SS**  trans68.7167.2178.1-29.5-79.9000113.8
1270D51.8Low46.3Very low124 Ų124144.7 Ų144.766%0.66374%0.736SS**  cis-133.9163.96.5-88.4-58.8000111.1
1271E49.4Very low46.3Very low160 Ų160146.4 Ų146.475%0.74873%0.732SS**  25.2157.5123.8-43.9-178.6145.800119.9
1272E49.7Very low46.4Very low139 Ų139140.8 Ų140.865%0.6573%0.725SS**  cis-165158.18-139.9179.9-165.300109
1273H48.4Very low46.1Very low156 Ų156138.8 Ų138.872%0.72272%0.723SS**  trans53.5167.5159.8-61-50.5000119.1
1274G44.6Very low45.6Very low53 Ų53142.3 Ų142.355%0.54673%0.73SS.*  cis-161.2145.6-5.300000108.5
1275D44.9Very low45.5Very low129 Ų129141 Ų14169%0.6973%0.731SS**  101.8137.7100.2-57.1-27.5000109.5
1276E40.8Very low45.5Very low168 Ų168140.7 Ų140.779%0.78573%0.729SS**  60.6123.8110-57.4179.7167.900113.2
1277D47.5Very low45.9Very low133 Ų133137.4 Ų137.471%0.71173%0.726SS**  cis-147.2159.616-82.1-52.7000110
1278I40.3Very low45.9Very low142 Ų142135.2 Ų135.273%0.72872%0.719SS**  47.510871.6-51.5178.5000115.1
1279D45.3Very low46Very low149 Ų149136.5 Ų136.580%0.79772%0.722SS**  trans-167.9133.4136.2-101.3-17.8000109.4
1280Y41Very low46.1Very low178 Ų178137 Ų13770%0.69872%0.721SS**  83.688.956.9-150.5-85.7000111.8
1281V38.9Very low46.1Very low110 Ų110135.8 Ų135.867%0.66772%0.718SS**  61.598.691-179.50000113.7
1282G43.9Very low46.2Very low73 Ų73136.1 Ų136.175%0.75372%0.719SS**  trans-138.9128.6154.700000107.6
1283Q39.7Very low46.1Very low169 Ų169135.1 Ų135.179%0.7973%0.728SS**  cis80.182.743.2-65-164.6-5.900114.6
1284E45.4Very low46.1Very low184 Ų184131 Ų13186%0.8673%0.727SS**  trans-152.1122.7138.644.3-164.7161.600106.3
1285S46.8Very low46.2Very low101 Ų101137.8 Ų137.871%0.70675%0.745SS**  83.5130.155.7-78.30000112.4
1286D49.5Very low46.4Very low132 Ų132135.4 Ų135.471%0.70674%0.743SS**  cis-149.9156.4-0.6-79.5-38.9000111.7
1287D52Low46.8Very low146 Ų146131.9 Ų131.978%0.78174%0.743SS**  trans52.4165.5139.7-68.3-24.7000125.3
1288V53.6Low47Very low121 Ų121130.8 Ų130.873%0.73374%0.741SS**  trans97.585.4153.7-164.60000118.5
1289F44.1Very low47.2Very low174 Ų174132.6 Ų132.676%0.76375%0.746SS**  59.5142.5126.9-82.1-120.4000120.5
1290E51.2Low47.2Very low136 Ų136128.8 Ų128.864%0.63674%0.742SS**  cis-168.9179.5-14.5-133.1-167.8177.100110.4
1291T52.2Low47.4Very low99 Ų99125.3 Ų125.361%0.60775%0.75SS**  trans14.8150.7147.659.40000121.7
1292E51.1Low47.5Very low166 Ų166131 Ų13178%0.77677%0.769SS**  cis178.6175.9-3.6171.3172.8142.100107.3
1293S46.6Very low47.7Very low119 Ų119133.9 Ų133.983%0.83277%0.77SS**  trans74.1132.9167.578.60000116.2
1294G48Very low48.1Very low69 Ų69132 Ų13271%0.71177%0.769SS**  cis-165.9159.4-5.600000114.4
1295E46.9Very low48.3Very low196 Ų196129.1 Ų129.192%0.91676%0.764SS**  trans13.1144.2140.8-68.1-166.196.300120.8
1296A49.3Very low48.4Very low79 Ų79130.8 Ų130.865%0.65377%0.767SS**  cis-170.8174.9-6.500000110.3
1297A50.5Low48.3Very low94 Ų94130.7 Ų130.778%0.77777%0.771SS**  trans73.6142.7151.900000117.3
1298V51.4Low48.1Very low110 Ų110129.7 Ų129.767%0.66777%0.771SS**  cis-157141-4.11100000111.2
1299Q43.8Very low47.7Very low179 Ų179130.3 Ų130.384%0.83677%0.773SS**  trans39.6143.9151.3-57152.310.200121.6
1300G45.6Very low48Very low70 Ų70126.9 Ų126.972%0.72277%0.774SS**  cis147.9161.5-5.800000114.6
1301A46Very low47.7Very low104 Ų104126.2 Ų126.286%0.8679%0.786SS**  trans68.6126.7174.100000117
1302Q40.8Very low47.3Very low229 Ų229128.6 Ų128.6100%1.0780%0.802SS**  cis-138.201.1-93.8-167.7-0.800112R481R481-Q1302 PolarHBondContact NH2-O 3.45Å; R481-Q1302 PolarHBondContact NH2-OXT 3.49Å

Retrieved 1,302 of 1,302 residues in 637.5 ms (Link to these results)