A0A3Q0KU60_SCHMA Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KU60, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,268 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
1M44.5Very low36Very low224 Ų224133.6 Ų133.6100%1.10373%0.727SS**  0119.10-58.2172.885.400105.6
2T37.7Very low35.4Very low111 Ų111129.3 Ų129.368%0.68171%0.714SS**  59.9132.253.879.30000109.2
3S32.1Very low34.8Very low97 Ų97129.2 Ų129.268%0.67872%0.719SS**  55.2141.352.9110.30000111
4S34.3Very low34.6Very low96 Ų96128.6 Ų128.667%0.67171%0.712SS**  cis-164.9-170.5-1.622.60000107.8
5E40.1Very low34.7Very low143 Ų143131.1 Ų131.167%0.66872%0.716SS**  trans73.9122.1171.6-50.2-147.8123.200114.8K7E5-K7 IonicContact OE1-NZ 2.84Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; E5-K7 IonicContact OE2-NZ 2.77Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å
6C31.1Very low34.3Very low89 Ų89128.9 Ų128.960%0.60171%0.712SS**  cis67.784.629.5-41.30000114.4
7K40Very low34.5Very low158 Ų158127.9 Ų127.969%0.68771%0.713SS**  -154.5117.6121.1-83115.9-151.9164.70105.8E5E5-K7 IonicContact OE1-NZ 2.84Å; E5-K7 PolarHBondContact OE1-NZ 3.36Å; E5-K7 IonicContact OE2-NZ 2.77Å; E5-K7 PolarHBondContact OE2-NZ 3.49Å
8S32.7Very low34.4Very low97 Ų97127.8 Ų127.868%0.67872%0.716SS**  cis58.294.141.295.40000112.3
9K37.6Very low34.4Very low181 Ų181127.1 Ų127.179%0.78772%0.715SS**  -169.1129.3115.3-96.7-177.7178.7-178.40108
10I35.6Very low34.3Very low129 Ų129131.7 Ų131.766%0.66272%0.722SS**  57.993.384.2-65-179.2000107.8
11N29.8Very low34.2Very low145 Ų145131.3 Ų131.378%0.77572%0.723SS**  77.7145.1103.5-66.44.2000111.5
12S29.3Very low33.5Very low82 Ų82127.1 Ų127.157%0.57371%0.705SS**  cis-176.9168.4-5.9460000106
13T28Very low33.3Very low128 Ų128128 Ų12879%0.78571%0.706SS**  trans59.1-161.6-179.1-8.10000107.9
14I32.2Very low33.5Very low120 Ų120129.9 Ų129.962%0.61571%0.708SS**  cis-118.9162.12.5-34.6174.8000103.3C16I14-C16 HydrophobicContact CG2-CB 4.46Å; I14-C16 VanDerWaalsContact CG2-SG 3.55Å
15E36.1Very low33.8Very low166 Ų166132.2 Ų132.278%0.77671%0.709SS**  cis-142.3124.626.8-38.5-12496.700107.4
16C27.2Very low33.9Very low97 Ų97133 Ų13366%0.65571%0.71SS**  73.7152.479.3-72.10000113I14I14-C16 HydrophobicContact CG2-CB 4.46Å; I14-C16 VanDerWaalsContact CG2-SG 3.55Å
17P38.4Very low34.3Very low111 Ų111135.7 Ų135.772%0.72171%0.714SS**  cis-131.4153.520.538.8-21.4000117.5
18V33Very low34.1Very low126 Ų126135.4 Ų135.476%0.76472%0.717SS**  trans51.5115.9130.8-1770000116.8
19T34.4Very low34.3Very low114 Ų114136.7 Ų136.770%0.69972%0.716SS**  -165.8133.653.7-28.50000113.1
20Y31.5Very low34.3Very low220 Ų220135.5 Ų135.586%0.86372%0.717SS**  trans33.7152.5147.6-74.4-106.9000125.6
21V32.5Very low34Very low123 Ų123132.3 Ų132.375%0.74572%0.716SS**  trans108.9100.6152.1-169.90000119.6
22N29.9Very low34.1Very low136 Ų136137.3 Ų137.373%0.72772%0.724SS**  trans61.5130.2145.1-71.8-15.4000126.1
23N33.3Very low34.4Very low130 Ų130139.1 Ų139.170%0.69573%0.733SS**  trans80.1111.1135.4-67.7-18000124.9
24N36.1Very low34.9Very low136 Ų136138.3 Ų138.373%0.72773%0.73SS**  83122125.5-76-28.6000126
25Q40.6Very low35Very low146 Ų146137.7 Ų137.768%0.68274%0.737SS**  103.7132.2127.2-86.1-170.645.700124.9
26K42.3Very low34.9Very low158 Ų158135.7 Ų135.769%0.68774%0.741SS**  trans75.5148.7144.9-75.2178.2171.8173.20120
27Q40.7Very low35.3Very low147 Ų147138.9 Ų138.969%0.68775%0.75SS**  cis-157.7157.7-9.8-132.9168-30.400114.2
28M35.9Very low35.4Very low152 Ų152139.2 Ų139.275%0.74976%0.755SS**  trans1.7166.9146.4-77172.1166.700122.6
29N36.6Very low35.6Very low124 Ų124140.5 Ų140.566%0.66376%0.757SS**  cis-164.1-178.715.5-122-8000109.2
30I36.6Very low35.6Very low156 Ų156142 Ų14280%0.876%0.759SS**  cis-167.8173.1-14.8-165.5162.6000108.3
31G30.6Very low35.9Very low62 Ų62136.6 Ų136.664%0.63975%0.749SS**  trans178.5137.3157.500000119.9
32R29.9Very low36.1Very low249 Ų249136.6 Ų136.694%0.9475%0.745SS**  trans59.9174164.6-90-178-179.9-149.91.7117.6
33P37.5Very low36.5Very low120 Ų120134.4 Ų134.478%0.77973%0.73SS**  cis-115.4-153.3-19.342.3-25.4000111.1
34P37.4Very low36.8Very low111 Ų111136.9 Ų136.972%0.72174%0.742SS**  trans-124.2168.1-168.845.5-37.1000120.2
35S34Very low36.7Very low107 Ų107138.8 Ų138.875%0.74874%0.744SS**  trans70140.2146.863.10000124.5
36S34.5Very low36.2Very low125 Ų125138.8 Ų138.887%0.87475%0.748SS**  trans91.4167.4164.779.40000119.1
37I36.5Very low35.8Very low164 Ų164134.8 Ų134.884%0.84174%0.74SS**  trans-121.7131.3-146-61.4163.5000113.1
38S40.5Very low35.7Very low118 Ų118132.5 Ų132.583%0.82574%0.74SS**  trans-172163.5143.8-82.80000110.9
39L35.4Very low35.7Very low152 Ų152132.4 Ų132.480%0.79674%0.742SS**  trans-136.8163.9-177.2-88.2168.1000110.2
40I36.2Very low35.9Very low146 Ų146132.1 Ų132.175%0.74974%0.74SS**  trans71.4128159.1-72.7156.7000113.6
41T37.3Very low35.9Very low107 Ų107132.6 Ų132.666%0.65674%0.739SS**  cis-160.1152.25.87.70000111.9
42D35.3Very low35.9Very low122 Ų122140.1 Ų140.165%0.65275%0.749SS**  35.2145.4124.8-71.231.4000121.9
43Q38.2Very low36.2Very low90 Ų90135.8 Ų135.842%0.42174%0.744SS.*  cis-154.4172.24.3-90.8130.330.900106.2K45 L46Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.86Å; Q43-L46 VanDerWaalsContact OE1-C 3.3Å
44L41.1Very low35.7Very low182 Ų182135 Ų13595%0.95374%0.741SS**SBendtrans-7795.4134.2-119.9-171.9000105.4L46L44-L46 PolarHBondContact O-N 3.44Å
45K32.9Very low35.2Very low176 Ų176134.8 Ų134.877%0.76574%0.741SS**SBendtrans-36.2123.1-164.7-66.3176.8178.7177.40110.9Q43Q43-K45 VanDerWaalsContact C-N 3.28Å; Q43-K45 PolarHBondContact O-N 2.86Å
46L31.5Very low34.9Very low147 Ų147136.5 Ų136.577%0.7774%0.739SS**  -157.313378.2-81.3140.5000114.6Q43 L44Q43-L46 VanDerWaalsContact OE1-C 3.3Å; L44-L46 PolarHBondContact O-N 3.44Å
47S32.4Very low34.8Very low74 Ų74136.7 Ų136.752%0.51774%0.74SS.*  trans76.6143136-570000120.9
48S39Very low34.5Very low98 Ų98135.1 Ų135.169%0.68573%0.731SS**  trans54.8105.4158440000117.4
49L37Very low34.2Very low151 Ų151139.7 Ų139.779%0.79173%0.73SS**  75.6125.582.2-80.6162.2000114
50N40.2Very low34.1Very low117 Ų117138.1 Ų138.163%0.62673%0.727SS**  trans66.6146.8155.9-66.625.5000117.2
51E37.6Very low33.7Very low166 Ų166138.7 Ų138.778%0.77673%0.729SS**  cis-150.2173.3-9.1-126.2152.1169.200110.4
52R30.4Very low33.3Very low221 Ų221142.9 Ų142.983%0.83474%0.738SS**  trans-72.4133.6161.3-67.3178.1172.596.7-3.4107.4
53D34.5Very low33Very low157 Ų157145 Ų14584%0.8475%0.746SS**  -170.5177.5116.7-104.9-23.6000115.1
54S28.4Very low32.6Very low103 Ų103146.7 Ų146.772%0.7276%0.762SS**  trans-30.6135.7-178.858.90000119
55C25.6Very low32Very low107 Ų107145.5 Ų145.572%0.72376%0.762SS**  trans64.8123.3142.3-155.10000119.1
56M29Very low31.9Very low144 Ų144139.3 Ų139.371%0.70975%0.749SS**  170.8112.6123.2-94.3-66.1156.900111.1M58M56-M58 HydrophobicContact CB-CG 4.31Å; M56-M58 HydrophobicContact CG-CG 4.26Å; M56-M58 HydrophobicContact SD-CG 3.57Å; M56-M58 VanDerWaalsContact SD-CG 3.57Å
57S31.1Very low31.8Very low128 Ų128138.4 Ų138.490%0.89575%0.749SS**  trans-110.184.2158-171.80000108.2
58M31.1Very low31.8Very low132 Ų132141.9 Ų141.965%0.6576%0.76SS**  trans-75.3160.4-178.7-71.9-169.7-79.700113.2M56M56-M58 HydrophobicContact CB-CG 4.31Å; M56-M58 HydrophobicContact CG-CG 4.26Å; M56-M58 HydrophobicContact SD-CG 3.57Å; M56-M58 VanDerWaalsContact SD-CG 3.57Å
59R34.4Very low31.3Very low214 Ų214142.2 Ų142.281%0.80876%0.76SS**  trans74.2148.2167.2-63.5169-180173.1-0.5114.1
60T33.3Very low30.9Very low119 Ų119140.8 Ų140.873%0.7376%0.758SS**  cis-123.6122.821.748.30000116
61M27.9Very low30.3Very low158 Ų158141.8 Ų141.878%0.77877%0.768SS**  trans28.4111.5133.7-63.3178.5-77.200119.2
62K28.4Very low30Very low195 Ų195140.4 Ų140.485%0.84876%0.764SS**  -147.8126.8123.5-138.6174.7-175.2-1790111.5
63M29.3Very low29.8Very low167 Ų167136.9 Ų136.982%0.82377%0.768SS**  trans41.4116.3158.9-77164.9159.500120.7
64T29.4Very low29.6Very low124 Ų124134.7 Ų134.776%0.76176%0.76SS**  trans6983.6134.8-40.90000118.3
65V27.6Very low29.8Very low157 Ų157135.8 Ų135.895%0.95276%0.763SS**  trans-109.380.5130.2-177.80000107.4
66G31.3Very low30.1Very low47 Ų47136.6 Ų136.649%0.48576%0.764SS.*  trans-87131.2156.900000108.2
67V29.7Very low30.3Very low128 Ų128134.3 Ų134.378%0.77676%0.763SS**SBend44124127.2-178.80000117.9
68I32.9Very low30.3Very low147 Ų147137.7 Ų137.775%0.75476%0.761SS**  trans79.9126.2164.8-70.1163.2000116.5
69P27.9Very low30.3Very low104 Ų104136.9 Ų136.968%0.67577%0.769SS**  trans-87.1179.2164.938.3-35.4000111.6
70T28Very low30Very low122 Ų122134.8 Ų134.875%0.74877%0.77SS**  trans68.1138.6172.819.90000117.3
71T27.6Very low30Very low137 Ų137137.1 Ų137.184%0.8478%0.778SS**  trans61.9144178.754.20000114.7
72I31.8Very low30.3Very low137 Ų137135.8 Ų135.870%0.70378%0.779SS**  cis-127141.231.1-68.3164.5000112.3T74I72-T74 HydrophobicContact CG2-CG2 3.81Å; I72-T74 VanDerWaalsContact CG2-OG1 3.25Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.32Å
73T27.1Very low30.5Very low147 Ų147130 Ų13090%0.90278%0.775SS**  trans-123.5109.2165.1-51.60000108.7
74T30.2Very low30.6Very low111 Ų111130.4 Ų130.468%0.68177%0.774SS**  trans-156.2137.3-178.248.70000108I72I72-T74 HydrophobicContact CG2-CG2 3.81Å; I72-T74 VanDerWaalsContact CG2-OG1 3.25Å; I72-T74 WeakPolarHBondContact CG2-OG1 3.32Å
75T31.3Very low30.8Very low126 Ų126131.9 Ų131.977%0.77377%0.772SS**  cis-132.7173.61.654.60000107.8
76T33.1Very low30.8Very low124 Ų124131.2 Ų131.276%0.76176%0.763SS**  cis-156.8166.726.232.90000107.8
77S32Very low30.9Very low97 Ų97135.9 Ų135.968%0.67878%0.776SS**  cis-172.5139.1-17.952.50000110.2
78K31.9Very low30.8Very low198 Ų198137.2 Ų137.286%0.86178%0.779SS**  trans177.9160.1130.7-102.5171.6-177.8177.50114.1
79S31.9Very low30.5Very low115 Ų115135.8 Ų135.880%0.80478%0.78SS**  trans50.883167.353.40000118.2
80M28.5Very low30.6Very low170 Ų170140 Ų14084%0.83779%0.791SS**  trans-25.5151142.3-58.6148.260.800115.8
81N31.4Very low30.7Very low168 Ų168138 Ų13890%0.89878%0.782SS**  trans-149.7127.1142-118.7-20.7000110
82T34.5Very low30.7Very low131 Ų131142.2 Ų142.280%0.80478%0.784SS**  trans-115.8142.8172.3460000109
83G33.9Very low30.8Very low73 Ų73138.6 Ų138.675%0.75378%0.781SS**  trans-89.1177.2-163.800000117.1
84Q31.9Very low31Very low175 Ų175139.2 Ų139.282%0.81878%0.778SS**  trans81.6113150.9-68.9-168.9-62.200121.5
85H31.9Very low31.2Very low155 Ų155141.9 Ų141.972%0.71878%0.78SS**  trans73.787.1136.4-64.9-61.1000122.6
86N27.7Very low31.3Very low143 Ų143141.6 Ų141.677%0.76578%0.778SS**  79.1152.9106.2-147.619.1000120.9
87I33.2Very low31.2Very low146 Ų146146 Ų14675%0.74978%0.781SS**  trans69.988.1170.2-41.4175.2000116.6
88N28.5Very low31.2Very low156 Ų156148 Ų14883%0.83478%0.784SS**  -155.8160.9111-146-0.1000110.6
89C26Very low30.9Very low116 Ų116142.7 Ų142.778%0.78478%0.777SS**  trans-142.8122.5-177.3-76.90000112.3
90E30.9Very low30.8Very low192 Ų192148.2 Ų148.290%0.89778%0.782SS**  trans172.2152.8162.8-103.3173.9-15300107.2
91S29.1Very low30.9Very low81 Ų81145.6 Ų145.657%0.56678%0.78SS**  cis-159.3146.7-9.7-134.20000110.6
92Y29.2Very low30.5Very low225 Ų225145.5 Ų145.588%0.88278%0.777SS**  trans41.4133.9166.2-57.8-77.6000122
93G32.7Very low30.7Very low62 Ų62144.1 Ų144.164%0.63977%0.77SS**  cis158.3178.7-7.300000115
94L32.1Very low30.6Very low160 Ų160147.5 Ų147.584%0.83877%0.769SS**  trans68.4137.1170.7-56165.4000115.1
95K33.6Very low30.6Very low167 Ų167147.2 Ų147.273%0.72677%0.767SS**  cis-159.413118.1-136.2164.1-175.1177.30111.5
96T33.6Very low30.4Very low120 Ų120143.7 Ų143.774%0.73676%0.76SS**  trans54.2142.8143.355.30000121.4
97R31.9Very low30.5Very low216 Ų216144.1 Ų144.182%0.81576%0.761SS**  cis-163.2148.50.5-126.6178.1174.8170.2-1.9112.2
98N31.2Very low30.5Very low140 Ų140145.2 Ų145.275%0.74977%0.766SS**  trans43122.6148-62.313.2000122.4
99A25.4Very low30.6Very low85 Ų85140.8 Ų140.870%0.70276%0.758SS**  trans-91.6171.9137.300000110.3
100Y29.4Very low30.9Very low231 Ų231143 Ų14391%0.90676%0.76SS**  trans176.8139.6135.8-100.7-63.1000115.1
101S30.7Very low30.9Very low115 Ų115141.1 Ų141.180%0.80475%0.752SS**  trans74.6151.2151.8-150.60000122.7
102M23.3Very low31Very low167 Ų167143.5 Ų143.582%0.82376%0.758SS**  trans-116.4-155.9172.2-40.6164.268.700108
103P39.5Very low31.1Very low102 Ų102139.8 Ų139.866%0.66275%0.746SS**  cis-137.8-164.4-19.724.71.7000114.4
104I32.1Very low31Very low143 Ų143146.3 Ų146.373%0.73375%0.751SS**  trans100117.1151.1-54.1-176.9000119.9
105H30.1Very low30.8Very low170 Ų170145.7 Ų145.779%0.78775%0.749SS**  trans17.4151.4142.6-69.7-82.8000122.9
106S29.4Very low30.8Very low80 Ų80144.8 Ų144.856%0.55975%0.751SS**  cis-173.7139.9-13.1-112.40000113.5
107I29.4Very low30.8Very low152 Ų152145.3 Ų145.378%0.77975%0.754SS**  trans69.6147.3149.5-48.3158.3000118
108I32.8Very low30.8Very low170 Ų170139.8 Ų139.887%0.87275%0.748SS**  trans67.5129-178.2-36.2-176.6000114.3
109G30.8Very low30.9Very low63 Ų63140.1 Ų140.165%0.64975%0.75SS**  cis165.2153.5-8.900000113
110L31.7Very low31.1Very low161 Ų161142.7 Ų142.784%0.84375%0.752SS**  trans71.9111166.5-58.6172.8000120.9
111Q30.4Very low31.1Very low154 Ų154138.2 Ų138.272%0.7274%0.743SS**  75.2132.7125.5-63.8-73.4-7.400122.4
112L31.5Very low31Very low131 Ų131140.2 Ų140.269%0.68675%0.745SS**  trans69.7142.9155.9-95.263.4000117.8
113K31.3Very low31.3Very low146 Ų146136.3 Ų136.364%0.63574%0.735SS**  cis-162.6145.31.1-153.7168-163.2162.40113.3
114R31.7Very low30.9Very low199 Ų199136.9 Ų136.975%0.75174%0.736SS**  trans70120.8154.5-86.1163.5-178163.6-3.2122.2
115N27.8Very low30.6Very low147 Ų147137.4 Ų137.479%0.78674%0.741SS**  trans63.1153.1137.9-54.315.7000118.3
116I33.8Very low30.5Very low149 Ų149135.7 Ų135.776%0.76474%0.737SS**  cis-139.9155.322.4-57.8163000111.3
117T33.3Very low30.6Very low131 Ų131139.5 Ų139.580%0.80475%0.751SS**  trans69.7120.2160.335.60000123.3
118S31.1Very low30.6Very low99 Ų99139.2 Ų139.269%0.69275%0.751SS**  69.285.9128.6-140.50000120.5
119N32.5Very low30.5Very low147 Ų147137.4 Ų137.479%0.78675%0.748SS**  -179.4101.797.9-93.811.3000111.3
120D29.9Very low30.5Very low140 Ų140140.3 Ų140.375%0.74975%0.749SS**  trans-75.1160.6158.2-42.3-80.3000108.7
121N30.3Very low30.3Very low136 Ų136143 Ų14373%0.72775%0.748SS**  cis-14014518.8-58.8-106.6000110.2
122D28.7Very low30.2Very low158 Ų158146.5 Ų146.585%0.84575%0.754SS**SBend-99.8153.6128.6-145.3-26.9000107.2
123S28.9Very low30.3Very low85 Ų85146 Ų14659%0.59476%0.762SS**SBendtrans69.1131.3-179.778.60000120.5
124T30.9Very low30.1Very low114 Ų114142.3 Ų142.370%0.69977%0.766SS**  trans23113147.952.80000121.3N126T124-N126 PolarHBondContact O-N 3.13Å
125N27.4Very low30.2Very low154 Ų154136.7 Ų136.782%0.82476%0.757SS**  trans-72.9110.5154.8-174.33.9000110.3
126N27.8Very low30.4Very low133 Ų133135.3 Ų135.371%0.71174%0.744SS**  trans-122.4125.1176.1-112.1-9.3000108.9T124T124-N126 PolarHBondContact O-N 3.13Å
127N30.2Very low30.4Very low161 Ų161132.6 Ų132.686%0.86173%0.731SS**  trans-100.7127.9168.6-102.5-26.9000109.9
128N28.9Very low30.2Very low146 Ų146135.8 Ų135.878%0.78173%0.729SS**  trans-79.9151.9-174.4-79.1-54.1000113.6
129T32.4Very low30Very low131 Ų131138.2 Ų138.280%0.80473%0.729SS**  -141.6113.7128.717.30000111.7
130D30.1Very low29.9Very low124 Ų124138.6 Ų138.666%0.66373%0.726SS**  trans61.9101.5142.4-54.1-21.1000125.1
131W27.9Very low29.8Very low218 Ų218136.7 Ų136.783%0.82672%0.724SS**  50.2120.1117.4-65.3100.6000122.8
132R28.5Very low29.9Very low227 Ų227141.2 Ų141.286%0.85773%0.731SS**  trans75.6145.1154.6-59.1173.1173.7-150-2.9117.9
133S32.8Very low29.9Very low121 Ų121139.6 Ų139.685%0.84673%0.727SS**  cis-174.4164.9-14.4-890000108.8
134G26.9Very low29.8Very low69 Ų69141 Ų14171%0.71173%0.731SS**  cis154.363.7-5.800000116.7
135S33.6Very low29.7Very low80 Ų80142.6 Ų142.656%0.55973%0.731SS**  trans-162.2141169.4-79.70000110.9N516S135-N516 PolarHBondContact OG-ND2 3.16Å; S135-N516 VanDerWaalsContact OG-ND2 3.08Å
136K33.3Very low29.7Very low118 Ų118143.2 Ų143.251%0.51373%0.726SS.*  cis90.8138.241.4-68166.9115.6-74.70112.8N515 N516K136-N515 VanDerWaalsContact C-OD1 3.26Å; K136-N515 WeakPolarHBondContact CB-OD1 3.1Å; K136-N515 PolarHBondContact O-ND2 3Å; K136-N515 PolarHBondContact O-OD1 3.35Å; K136-N515 VanDerWaalsContact O-OD1 3.09Å; K136-N516 WeakPolarHBondContact CD-OD1 3.28Å; K136-N516 WeakPolarHBondContact CE-OD1 3.16Å; K136-N516 PolarHBondContact NZ-OD1 3.31Å
137D32.4Very low29.6Very low92 Ų92144.5 Ų144.549%0.49273%0.728SS.*  cis-163.1158.8-0.8-101.5-17.4000116.1
138Y29.3Very low30Very low198 Ų198144.8 Ų144.878%0.77673%0.729SS**  trans25.1127.3153.5-70.3-95.9000128.1
139H28.1Very low30.1Very low150 Ų150142.9 Ų142.969%0.69472%0.722SS**  24.4136.9128.6-78.2-73.3000127.9
140H28.9Very low30.2Very low156 Ų156146.8 Ų146.872%0.72273%0.729SS**  trans84.5106.5133-74.2141000125.5
141S29.5Very low30.3Very low99 Ų99144.9 Ų144.969%0.69273%0.73SS**  102.2119.4114.4-680000124.5
142R31.1Very low30.6Very low232 Ų232140 Ų14088%0.87573%0.726SS**  trans81108.8147.4-69.2-173.2173.5-154.3-2.5122.4
143T28.3Very low30.8Very low124 Ų124135 Ų13576%0.76173%0.726SS**  32.8137.9119.3-20000118.8
144V28Very low30.7Very low113 Ų113134.8 Ų134.869%0.68573%0.725SS**  -159.2142.255.1175.50000114.7
145H27.8Very low30.9Very low149 Ų149136.8 Ų136.869%0.6973%0.728SS**  trans51.6113.7156.9-65.3-37.2000126.2
146F27.3Very low30.6Very low167 Ų167139.4 Ų139.473%0.73274%0.74SS**  78.9141.5121.3-77.8-56.4000125.4
147H27.1Very low30.4Very low160 Ų160139.1 Ų139.174%0.74175%0.752SS**  trans5997.9162.1-74.9-70.3000119.5
148D37.1Very low30.2Very low167 Ų167140.4 Ų140.489%0.89377%0.768SS**  -147.5164.4109.8-135.5-27.2000111.4
149V31.2Very low30.3Very low105 Ų105136.5 Ų136.564%0.63677%0.77SS**  trans-125.1115.3-166.3177.70000113.6
150F36Very low30.4Very low214 Ų214138 Ų13894%0.93978%0.782SS**  trans-151.9101.2154-98.1-71.3000112.5
151A30.4Very low30.5Very low83 Ų83141.8 Ų141.869%0.68679%0.79SS**  trans-99.5162147.600000107.1
152P35.9Very low30.6Very low116 Ų116141.5 Ų141.575%0.75379%0.788SS**  -156.6160.274.440.6-21.3000117.5
153S31.2Very low30.6Very low122 Ų122136.1 Ų136.185%0.85378%0.781SS**SBendtrans160.9117.9130.859.60000109.4
154S30.7Very low30.6Very low117 Ų117138.9 Ų138.982%0.81879%0.787SS**SBendcis-130.91561.849.90000110.3
155S32.4Very low30.6Very low110 Ų110137.3 Ų137.377%0.76978%0.781SS**  cis-153.2137.5-14.543.80000108.7
156V26.6Very low30.6Very low135 Ų135137.9 Ų137.982%0.81878%0.784SS**  trans-122.9175.8-178.4-167.80000108.8
157C29.5Very low31.1Very low113 Ų113138.3 Ų138.376%0.76479%0.786SS**  trans91.491.7163.1-56.60000116.9
158S26.8Very low31.7Very low118 Ų118137.6 Ų137.683%0.82578%0.783SS**  trans-67.9134.6139.442.40000110
159S31.5Very low31.4Very low117 Ų117136.4 Ų136.482%0.81878%0.777SS**  trans-158.8108.9159.1-83.90000110.6
160L30Very low31.7Very low181 Ų181134.7 Ų134.795%0.94878%0.78SS**  trans-69.4138.8155.7-75.6154.5000108.4
161R31.4Very low31.8Very low236 Ų236130.5 Ų130.589%0.89177%0.768SS**  trans-148127.7147.3-153.4169.5-167.2-176.14111.4
162S31.3Very low31.7Very low92 Ų92133.3 Ų133.364%0.64377%0.767SS**  trans42.695157.8-61.50000117.4
163T31.7Very low31.9Very low120 Ų120135.8 Ų135.874%0.73677%0.772SS**  62115.386.962.30000114.8
164M27.6Very low32.1Very low182 Ų182133.5 Ų133.590%0.89775%0.752SS**  trans54.4138.6142.8-71.9166.161.300119.4
165S28.7Very low32.6Very low80 Ų80134.1 Ų134.156%0.55975%0.747SS**  cis-167154.5-6.5-1700000107.8
166E29Very low33.1Very low160 Ų160135.2 Ų135.275%0.74874%0.743SS**  trans56.8136.2172.9-67.6125.9139.900115.7
167F37.5Very low33.3Very low177 Ų177136.6 Ų136.678%0.77674%0.741SS**  -153153.764.5-111.8-107.6000112.5
168E39Very low33.8Very low144 Ų144135.6 Ų135.667%0.67373%0.733SS**  trans45.1116.2151.7-73.2178.5140.700121.6
169N30.6Very low33.9Very low142 Ų142136.8 Ų136.876%0.75973%0.73SS**  62.5151.8119.9-53.1-14.3000120.9
170G38.4Very low33.8Very low69 Ų69136.1 Ų136.171%0.71173%0.725SS**  trans97.194.9163.100000115.7
171N37.1Very low33.8Very low127 Ų127132.8 Ų132.868%0.67972%0.717SS**  cis-159.5139.9-22-121.151000105
172E28.4Very low33.7Very low141 Ų141126.6 Ų126.666%0.65971%0.71SS**  48.886.271.7-81.6-167165.900114.3V174E172-V174 HydrophobicContact CB-CG2 3.7Å; E172-V174 HydrophobicContact CG-CG2 3.83Å
173I39.9Very low33.6Very low168 Ų168129.4 Ų129.486%0.86272%0.717SS**  -128.8100119.5-65.3-171.1000105
174V37Very low33.4Very low74 Ų74132.4 Ų132.445%0.44872%0.722SS.*  66.9101.357.6-1740000109.6E172 L176E172-V174 HydrophobicContact CB-CG2 3.7Å; E172-V174 HydrophobicContact CG-CG2 3.83Å; V174-L176 HydrophobicContact CG1-CG 4.43Å
175N40.6Very low33.5Very low131 Ų131130 Ų13070%0.70172%0.718SS**  -149.8132.184-86.1-62000110.8
176L42.4Very low33.3Very low132 Ų132133.8 Ų133.869%0.69173%0.731SS**  67.7132.485.7-64-171.9000113V174V174-L176 HydrophobicContact CG1-CG 4.43Å
177E30.7Very low33.4Very low164 Ų164131.7 Ų131.777%0.76673%0.734SS**  cis-159.6-164.7-5.6-138.8-165.8139.900111.2
178P39.3Very low32.8Very low92 Ų92127.2 Ų127.260%0.59773%0.73SS**  -129.6-169.2-114.546.8-29.3000116.2
179N30.1Very low32.5Very low143 Ų143126.1 Ų126.177%0.76574%0.738SS**  trans-9.4133.3147.3-48.6-33.9000117
180S28.8Very low32.4Very low103 Ų103123.9 Ų123.972%0.7274%0.739SS**  163.3131.889.950.80000114.7
181S30.4Very low32.2Very low112 Ų112126.2 Ų126.278%0.78374%0.742SS**  trans57.2145.5143.763.50000123.7
182S28.6Very low31.8Very low105 Ų105124.2 Ų124.273%0.73474%0.743SS**  trans87.3152.6154.1-151.50000119
183L30.5Very low32Very low151 Ų151122.9 Ų122.979%0.79174%0.744SS**  trans60.2134.9171.8-63.9152.7000115.5
184H26Very low31.6Very low183 Ų183120.1 Ų120.185%0.84773%0.731SS**  cis66.254.322.3-119.6-61.7000114.8
185V30.6Very low31.5Very low133 Ų133126 Ų12681%0.80675%0.747SS**  trans-158.3156.9148.8127.50000111.7
186L25.4Very low31.2Very low158 Ų158123.8 Ų123.883%0.82774%0.742SS**  trans-72133.9-174.4-54.7106000114.2
187S29.6Very low30.7Very low116 Ų116124.4 Ų124.481%0.81175%0.745SS**  trans-166.2121.8151.5-76.50000106.5
188A25Very low30.8Very low84 Ų84122.9 Ų122.969%0.69474%0.742SS**  cis68133.225.600000113.6
189S33.2Very low30.5Very low120 Ų120123 Ų12384%0.83975%0.745SS**  trans75.7113.6-160.5-34.80000111.1
190A28.8Very low30.4Very low95 Ų95124.6 Ų124.679%0.78575%0.75SS**  cis61.9136.125.800000112.4
191P33.1Very low30.7Very low119 Ų119123.3 Ų123.377%0.77374%0.741SS**  -144.5-179.350.442.6-25.2000116.7
192A28.6Very low30.8Very low84 Ų84124.9 Ų124.969%0.69474%0.741SS**  trans65.5143.3150.300000119.1
193T33.1Very low30.8Very low113 Ų113125.5 Ų125.569%0.69374%0.74SS**  cis-163.7150.1-8.413.60000108.6
194N31.7Very low30.8Very low111 Ų111124.9 Ų124.959%0.59474%0.737SS**  trans53.6125.3150.3-56.5-11.3000118.4
195Y34.5Very low30.9Very low198 Ų198124.6 Ų124.678%0.77673%0.733SS**  cis-165.7162.69.2-83.7-40.9000107.1
196S35Very low30.8Very low84 Ų84127.1 Ų127.159%0.58773%0.733SS**  cis-165.7161-5-109.10000111.5
197L32.4Very low30.9Very low144 Ų144125.7 Ų125.775%0.75473%0.727SS**  trans35.6126.1146.1-47.1174.8000120.2
198N32.5Very low30.8Very low133 Ų133127.7 Ų127.771%0.71172%0.723SS**  cis-161.7138.81-114.2-2.6000113.7
199S32.7Very low30.9Very low94 Ų94130.4 Ų130.466%0.65772%0.724SS**  trans18.4131.9142.554.50000120.6
200M28.9Very low30.7Very low176 Ų176133 Ų13387%0.86772%0.723SS**  cis56.814918.3-74.9-148.6-54.300117.8
201S34.2Very low30.5Very low77 Ų77133 Ų13354%0.53872%0.718SS.*  cis177.4178-31.454.40000108.9
202N31.8Very low30.2Very low145 Ų145132.6 Ų132.678%0.77572%0.716SS**  trans69.7167.3154.4-65.7-11.4000120.8
203V29.7Very low30.3Very low117 Ų117135.7 Ų135.771%0.70972%0.716SS**  cis-165.9152.8-48.295.60000112.3
204L30.3Very low30.1Very low139 Ų139136.6 Ų136.673%0.72871%0.713SS**  trans59123.4160.6-71.4169.7000124.6
205K28.7Very low30Very low177 Ų177137.3 Ų137.377%0.7771%0.712SS**  trans43.6126.2137.1-68.3-177.2178.8-178.30122.1
206F27.2Very low29.7Very low186 Ų186136.3 Ų136.382%0.81671%0.708SS**  -167.7150.797.1-116.4-82.1000113.2
207N28.2Very low29.4Very low128 Ų128138.6 Ų138.668%0.68471%0.709SS**  trans60.2149.5161.4-86.314.1000124.2
208E28.3Very low29.3Very low157 Ų157139.1 Ų139.173%0.73471%0.708SS**  trans64.3119.5149.7-71.2179113.600123.9
209I25.1Very low29.1Very low142 Ų142137.7 Ų137.773%0.72870%0.699SS**  trans46.1143.7134.3-34.1176000120.4
210Q29.9Very low29.2Very low173 Ų173140.3 Ų140.381%0.80871%0.706SS**  trans81.6130.8175.5-52.3-169.5-11.700113.3
211S24.2Very low29.2Very low96 Ų96139.1 Ų139.167%0.67170%0.698SS**  cis78.3117.332.584.90000114.2
212C26.7Very low29.6Very low110 Ų110140.2 Ų140.274%0.74370%0.703SS**  trans66.1158.3-177.5-60.90000114.1
213Q31.7Very low29.6Very low149 Ų149144.3 Ų144.370%0.69671%0.709SS**  cis-154.1136.9-19.6-108.1169.7-73.700105.6
214Q28.1Very low29.5Very low132 Ų132146.4 Ų146.462%0.61771%0.711SS**  74.6139.782.7-150.3-170.313.600114.2
215H30.7Very low30Very low127 Ų127143.8 Ų143.859%0.58870%0.703SS**  trans72.3146.5168-66.8-59.1000119.1
216Y27.6Very low30.1Very low176 Ų176143.1 Ų143.169%0.6970%0.702SS**  cis-169.3152.3-23.3-128.1-158.7000113.5
217H28.3Very low30.2Very low132 Ų132142.1 Ų142.161%0.61170%0.704SS**  trans57.5159.9138.9-84.9-13.8000126.2
218H30.5Very low30.4Very low156 Ų156143.8 Ų143.872%0.72271%0.707SS**  trans84.4148151.2-70.7-14.2000119.8
219I28.9Very low30.5Very low102 Ų102145.4 Ų145.452%0.52372%0.715SS.*  cis-167.6161.5-29.2-127.4174.8000107.9
220D33.6Very low30.6Very low149 Ų149148.6 Ų148.680%0.79772%0.717SS**  trans176.4127.5144.4-91.2-22.3000108.6
221H28.9Very low30.8Very low151 Ų151147.9 Ų147.970%0.69971%0.714SS**  cis70159.315.3-74.5-26.5000116.7
222P43.7Very low30.8Very low101 Ų101151.4 Ų151.466%0.65672%0.719SS**  cis-133.7-160.5-36.137.7-20.5000111
223Y30.9Very low31Very low231 Ų231153.7 Ų153.791%0.90672%0.719SS**  trans-164.2150.6140.3-110.9-69000115.2
224H27Very low30.9Very low160 Ų160153.5 Ų153.574%0.74172%0.718SS**  trans-159.2-159.7-177.9-151.541.4000107.5
225P42.1Very low31Very low85 Ų85154.6 Ų154.655%0.55272%0.722SS**  cis-145.2-175.3-3.947.4-28.7000118.4
226H30.6Very low31.4Very low163 Ų163156.2 Ų156.276%0.75573%0.73SS**  trans63.6134.5147.1-58.3-38.4000124.3
227L29.4Very low31.5Very low164 Ų164155.6 Ų155.686%0.85973%0.733SS**  trans-165.8177.8137.5-111.9168.3000113
228H31.9Very low31.8Very low164 Ų164155 Ų15576%0.75973%0.733SS**  trans-70.5148.9-166.6-68.4-79.6000118.1
229H29.8Very low32Very low191 Ų191153.9 Ų153.988%0.88473%0.733SS**  -153-173.8124.5-116.966.1000114.5
230R28.3Very low32.4Very low209 Ų209154.5 Ų154.579%0.78974%0.737SS**  trans-147.9163.2-152.6-166.7-173.3-178.8-179.11.3112.3
231H33.5Very low32.2Very low157 Ų157151.8 Ų151.873%0.72773%0.73SS**  trans88.9166.5169.4-74.8-79.1000119.8
232H25.6Very low32.3Very low170 Ų170150.8 Ų150.879%0.78773%0.729SS**  trans-104.9175.5-161.8-81.1-107.3000113.8
233H29.3Very low31.7Very low158 Ų158152.6 Ų152.673%0.73173%0.734SS**  trans94.2133.5153.2-84.5-87.2000120.3
234H29.5Very low31.6Very low146 Ų146146.4 Ų146.468%0.67672%0.716SS**  trans63.1124.2152.2-72.3-62.4000122.7
235H31.5Very low31.6Very low154 Ų154143.3 Ų143.371%0.71371%0.709SS**  trans65.9149.9139.8-78.3-75.4000121.9
236H37.8Very low30.7Very low161 Ų161145.5 Ų145.575%0.74572%0.72SS**  trans5970.1162.5-69.6-65.9000119.3
237Q29.7Very low30.7Very low163 Ų163142.4 Ų142.476%0.76271%0.713SS**  53.9142.5108.9-139.8-178.315.600120.8
238I34.8Very low30.6Very low119 Ų119138.3 Ų138.361%0.6170%0.696SS**  trans61.7150.4173.215.4-175.7000114.9N240I238-N240 WeakPolarHBondContact CG2-OD1 3.41Å
239N34.7Very low30.5Very low134 Ų134134.1 Ų134.172%0.71769%0.686SS**  cis-150.9163.546.3-71.3-67000110.3
240N38.1Very low30.5Very low114 Ų114130.3 Ų130.361%0.6168%0.676SS**SBendcis-165160.6-16-99.5-10.5000107.2I238I238-N240 WeakPolarHBondContact CG2-OD1 3.41Å
241S30Very low30.3Very low93 Ų93124.6 Ų124.665%0.6567%0.668SS**  cis-153.5146.50.8-112.60000106.7
242N31.2Very low30.1Very low129 Ų129122.9 Ų122.969%0.6967%0.668SS**  cis65131.212.7-73.8-1.3000118.2
243N29.7Very low30.3Very low139 Ų139123 Ų12374%0.74367%0.667SS**  trans80.1128.1175.3-49.9-6.2000115.8
244N29.6Very low30.1Very low102 Ų102121.2 Ų121.255%0.54566%0.663SS.*  cis-148.7131-10.3-86.3-23000106.6
245T26.9Very low30.2Very low95 Ų95123.4 Ų123.458%0.58367%0.671SS**  5113774.661.10000114.6
246V23.3Very low30.1Very low131 Ų131120.6 Ų120.679%0.79467%0.668SS**  cis53.487-2.9-166.50000116.2
247T30.1Very low29.7Very low97 Ų97118.9 Ų118.960%0.59568%0.675SS**  -176.3144.7111.731.40000112.2E1246T247-E1246 CarbonylContact C-O 3.13Å
248P28.3Very low29.6Very low78 Ų78115.4 Ų115.451%0.50667%0.674SS.*  trans-69.2177.1164-1933000115.2Q1245P248-Q1245 HydrophobicContact CB-CB 4.3Å; P248-Q1245 WeakPolarHBondContact CB-O 3.3Å; P248-Q1245 WeakPolarHBondContact CG-O 3.25Å
249S29.9Very low29.4Very low77 Ų77114.1 Ų114.154%0.53868%0.675SS.*  trans89.7159.6154.392.30000116.9
250T29.4Very low29.1Very low111 Ų111117 Ų11768%0.68168%0.682SS**  cis-139.1157.58.9-210000112.9
251S23.6Very low29Very low88 Ų88115.7 Ų115.762%0.61568%0.679SS**  trans-38.6148167.955.20000117.1
252T28.2Very low28.9Very low121 Ų121115.2 Ų115.274%0.74268%0.675SS**  -176.6153.3114.4230000115.5
253F30.1Very low29Very low173 Ų173112.4 Ų112.476%0.75967%0.666SS**  trans60.185.3156.9-64.3-59.7000123.2
254N26.8Very low29.2Very low120 Ų120109.5 Ų109.564%0.64265%0.653SS**  65.3149.5111.2-68.43.2000124.7
255F29.8Very low29.4Very low192 Ų192110.7 Ų110.784%0.84266%0.659SS**  trans77120.3167.8-61-65.9000115.9
256S29.9Very low29.8Very low95 Ų95111.8 Ų111.866%0.66466%0.661SS**  cis-154.1165.811.7-810000114.6
257S30.2Very low30.4Very low126 Ų126112.8 Ų112.888%0.88166%0.655SS**  trans79.9150.81625.90000119.4
258A27.9Very low30.6Very low89 Ų89116.8 Ų116.874%0.73666%0.664SS**  trans-93.9-179.8-172.200000112.2
259S30.3Very low31.2Very low93 Ų93117.2 Ų117.265%0.6566%0.663SS**  cis-166.5161.731.1-32.40000115.3
260F28.9Very low31.4Very low195 Ų195120.5 Ų120.586%0.85567%0.669SS**  trans56.3125.6152.9-60.5-62.3000123.3
261P34.8Very low32Very low85 Ų85121 Ų12155%0.55267%0.665SS**  trans-105.9170.5143.88.613.6000112.4T1239P261-T1239 WeakPolarHBondContact CB-OG1 3.21Å
262C28Very low32.3Very low84 Ų84123.1 Ų123.157%0.56867%0.67SS**  trans-126.4159.4-173.6-68.90000115.9Q1237 R1238 T1239C262-Q1237 CarbonylContact O-C 3.57Å; C262-R1238 CarbonylContact O-C 3.04Å; C262-R1238 WeakPolarHBondContact O-CA 3.17Å; C262-T1239 PolarHBondContact N-OG1 3.34Å; C262-T1239 VanDerWaalsContact N-OG1 3.15Å; C262-T1239 PolarHBondContact O-N 3.09Å; C262-T1239 PolarHBondContact O-OG1 2.86Å
263S33.1Very low32.3Very low69 Ų69123.7 Ų123.748%0.48367%0.673SS.*  trans135.3143149-430000112.8
264V33.9Very low32.2Very low79 Ų79122.1 Ų122.148%0.47967%0.671SS.*  cis69146.9-1.6176.70000116N1235 R1236 Q1237V264-N1235 VanDerWaalsContact CG1-O 3.26Å; V264-N1235 WeakPolarHBondContact CG1-O 2.61Å; V264-R1236 CarbonylContact O-C 3.19Å; V264-R1236 WeakPolarHBondContact O-CA 3.14Å; V264-Q1237 WeakPolarHBondContact O-CA 3.42Å; V264-Q1237 PolarHBondContact O-N 2.77Å; V264-Q1237 VanDerWaalsContact O-N 3.14Å
265D33.8Very low32.5Very low127 Ų127122.9 Ų122.968%0.67967%0.674SS**  cis-159.5-159.6-33.8-91.4-16.3000111.4
266D36.1Very low32.5Very low117 Ų117119 Ų11963%0.62666%0.662SS**  trans-130.1-178.5-150.5-164.613.8000116
267K36.1Very low32.4Very low152 Ų152119.9 Ų119.966%0.66166%0.656SS**  trans32.8128.8156.4-79.5-177.7-165.285.50127.1T1233K267-T1233 WeakPolarHBondContact O-CG2 2.36Å
268F34.6Very low32.3Very low181 Ų181119.9 Ų119.979%0.79464%0.64SS**  trans63.3168.7136.8-97.2-87.3000123.9T1233F268-T1233 VanDerWaalsContact N-CG2 3.26Å; F268-T1233 VanDerWaalsContact O-CG2 3.3Å; F268-T1233 WeakPolarHBondContact O-CG2 3.44Å; F268-T1233 PolarHBondContact O-N 3.39Å
269D39.7Very low32.3Very low88 Ų88119.1 Ų119.147%0.47162%0.624SS.*  trans-112.2109.1-149.3-86.922.8000116.2P1231D269-P1231 CarbonylContact C-O 3.28Å; D269-P1231 VanDerWaalsContact C-O 3.28Å; D269-P1231 VanDerWaalsContact CA-O 3.3Å; D269-P1231 WeakPolarHBondContact CA-O 3.4Å; D269-P1231 WeakPolarHBondContact CB-O 3.48Å
270H35.1Very low33Very low146 Ų146119.3 Ų119.368%0.67662%0.621SS**  trans-142.30169.8-110.915.9000110.7S1230 P1231 Q1232H270-S1230 VanDerWaalsContact CA-C 3.49Å; H270-P1231 HydrophobicContact CB-CG 3.87Å; H270-P1231 PolarHBondContact N-O 3.07Å; H270-P1231 VanDerWaalsContact N-O 3.16Å; H270-P1231 CarbonylContact O-C 3.58Å; H270-P1231 WeakPolarHBondContact O-CA 3.37Å; H270-P1231 WeakPolarHBondContact O-CB 3.35Å; H270-P1231 VanDerWaalsContact O-CD 3.32Å; H270-P1231 WeakPolarHBondContact O-CD 3.5Å; H270-P1231 WeakPolarHBondContact O-CG 3.49Å; H270-Q1232 PolarHBondContact O-N 3.08Å; H270-Q1232 VanDerWaalsContact O-N 3.13Å
271M41.3Very low33.1Very low120 Ų120116.3 Ų116.359%0.59162%0.621SS**  0100.50-118.4-62.1169.700115.9S1230 P1231M271-S1230 VanDerWaalsContact CG-CB 3.4Å; M271-S1230 VanDerWaalsContact N-C 3.28Å; M271-P1231 HydrophobicContact CB-CB 4.14Å; M271-P1231 HydrophobicContact CB-CG 4.44Å
272N29.5Very low32.9Very low133 Ų133116.7 Ų116.771%0.71163%0.625SS**  trans-178.9153176.4-89.1-47.5000105.7P1231N272-P1231 HydrophobicContact CB-CG 4.17Å
273V28.8Very low33.3Very low134 Ų134120.7 Ų120.781%0.81263%0.632SS**  trans57.562.6177.6-158.10000114.2
274L27.1Very low33.7Very low139 Ų139121.3 Ų121.373%0.72863%0.634SS**  trans-55.2156.8140-142.683.2000108.7
275I33.9Very low33.5Very low137 Ų137121.6 Ų121.670%0.70364%0.635SS**  trans6986.5167.8-60168.8000111.1
276N29.3Very low33.5Very low111 Ų111121 Ų12159%0.59464%0.64SS**  50.2115.258.3-147.810.9000108.8F278N276-F278 WeakPolarHBondContact OD1-CE2 2.97Å
277Q29Very low33.4Very low113 Ų113120.6 Ų120.653%0.52865%0.646SS.*  -169.1134.372.3-89.9-171.4-10.300113.6
278F26.8Very low33.1Very low126 Ų126118.5 Ų118.555%0.55365%0.65SS**  trans63.3-158.5135.3-50.4167.2000115.6N276 V280N276-F278 WeakPolarHBondContact OD1-CE2 2.97Å; F278-V280 HydrophobicContact CB-CG2 4.3Å; F278-V280 PolarHBondContact O-N 3.43Å
279N29.2Very low33Very low72 Ų72114.2 Ų114.239%0.38564%0.641SS.*  trans59.935.7179.7-38.3-2.8000112.4T284N279-T284 PolarHBondContact ND2-OG1 3.27Å; N279-T284 VanDerWaalsContact OD1-CA 3.24Å; N279-T284 WeakPolarHBondContact OD1-CA 3.04Å; N279-T284 PolarHBondContact OD1-N 3.07Å
280V43.9Very low32.7Very low98 Ų98119 Ų11959%0.59466%0.658SS**  37.5115.965.8177.80000109F278 C282F278-V280 HydrophobicContact CB-CG2 4.3Å; F278-V280 PolarHBondContact O-N 3.43Å; V280-C282 VanDerWaalsContact C-N 3.27Å; V280-C282 CarbonylContact O-C 3.09Å; V280-C282 WeakPolarHBondContact O-CA 3.26Å; V280-C282 PolarHBondContact O-N 2.72Å
281P30.9Very low32.4Very low131 Ų131116.9 Ų116.985%0.85166%0.66SS**SBendtrans-56.982-152.221.5-34.8000114.5
282C31.1Very low31.7Very low94 Ų94116.5 Ų116.564%0.63567%0.669SS**SBendtrans57136.6-152.4-58.80000114.9V280V280-C282 VanDerWaalsContact C-N 3.27Å; V280-C282 CarbonylContact O-C 3.09Å; V280-C282 WeakPolarHBondContact O-CA 3.26Å; V280-C282 PolarHBondContact O-N 2.72Å
283K36.9Very low31.6Very low167 Ų167116 Ų11673%0.72668%0.675SS**  cis-152.9138.9-5-108.6157.3-171.7169.30107.6
284T39.9Very low31.5Very low83 Ų83114.4 Ų114.451%0.50967%0.67SS.*  58.28990.4-46.70000110.6N279N279-T284 PolarHBondContact ND2-OG1 3.27Å; N279-T284 VanDerWaalsContact OD1-CA 3.24Å; N279-T284 WeakPolarHBondContact OD1-CA 3.04Å; N279-T284 PolarHBondContact OD1-N 3.07Å
285V30.9Very low31.6Very low85 Ų85112.3 Ų112.352%0.51567%0.667SS.*  82.7160.787.6162.60000111.1
286C34.2Very low31.3Very low114 Ų114110.8 Ų110.877%0.7767%0.669SS**  trans82.7119-168.3-580000113.4
287S34.1Very low31.2Very low109 Ų109111.5 Ų111.576%0.76268%0.677SS**  cis-154.8139.6-3.2-69.30000112.3
288S29.6Very low31Very low107 Ų107111.5 Ų111.575%0.74869%0.69SS**  trans-62.3151.7147.158.30000109.5
289P32.6Very low30.9Very low92 Ų92110.4 Ų110.460%0.59770%0.697SS**  -155.5178.166.635.1-11.5000117.4
290F32.1Very low30.7Very low188 Ų188116.4 Ų116.483%0.82572%0.715SS**  trans66.6149.7166.2-53.8-59.4000116.5
291S29.9Very low29.7Very low102 Ų102120.1 Ų120.171%0.71372%0.724SS**  cis-155163.5-12.5-1160000111.1
292S26.7Very low29.4Very low112 Ų112119.2 Ų119.278%0.78372%0.719SS**  trans-66143.4162.454.30000112.5
293S26.9Very low29.3Very low122 Ų122119.6 Ų119.685%0.85372%0.723SS**  trans-164.3154.6133.354.90000112.6
294S27Very low28.8Very low100 Ų100117.9 Ų117.970%0.69973%0.726SS**  trans-100.5174171.857.30000111.2
295S29.2Very low28.3Very low96 Ų96119.7 Ų119.767%0.67174%0.741SS**  trans55.1112.8142.960.70000120.4
296S27.5Very low28.4Very low105 Ų105121.1 Ų121.173%0.73475%0.753SS**  70105.6125.4-51.10000121.4
297T26.4Very low28Very low126 Ų126120.8 Ų120.877%0.77375%0.752SS**  trans73.7125.8130.353.70000122.7
298S25Very low27.7Very low113 Ų113120.8 Ų120.879%0.7975%0.751SS**  trans72.8137.8154.873.20000116.5
299C25.2Very low27.7Very low103 Ų103121.1 Ų121.170%0.69675%0.752SS**  cis-147.4149.543.6-93.80000116.3
300Y25.1Very low27.6Very low198 Ų198122.7 Ų122.778%0.77676%0.755SS**  trans70105.2144.2-83.2-110.9000123
301F23.5Very low27.4Very low176 Ų176122 Ų12277%0.77275%0.751SS**  73.6124.9122.4-91.8-101.9000123.3
302C24.5Very low27.3Very low112 Ų112124.7 Ų124.776%0.75775%0.753SS**  trans85.6151.7135.8-144.10000120.9
303S28Very low27.5Very low101 Ų101123.7 Ų123.771%0.70674%0.742SS**  trans59.3123170.136.20000117.6
304V27.1Very low27.8Very low132 Ų132124.1 Ų124.180%0.874%0.735SS**  cis83.9128.742.1176.40000113
305C28.2Very low28Very low121 Ų121125.3 Ų125.382%0.81873%0.733SS**  trans67147.7-176.3-63.10000114.6
306C33Very low27.8Very low115 Ų115125.4 Ų125.478%0.77773%0.734SS**  cis-150.3159.48.1-153.10000111.7
307S26.7Very low28Very low107 Ų107126 Ų12675%0.74874%0.738SS**  trans-136.5172.9164.9-680000108.7
308C27Very low28Very low108 Ų108130.4 Ų130.473%0.7374%0.742SS**  trans75142.5-163.2-48.80000111.4
309C30.2Very low28Very low114 Ų114129.6 Ų129.677%0.7774%0.737SS**  cis-145.316534.4-78.70000111
310L31.2Very low28.4Very low125 Ų125131.6 Ų131.665%0.65474%0.735SS**  cis-158.6173.61.6-122.9167.6000111.1V313L310-V313 HydrophobicContact CD2-CG2 3.71Å
311F26.5Very low28.9Very low173 Ų173128.3 Ų128.376%0.75973%0.73SS**SBendtrans73.7107.1-172.3-75.9-83.7000114.9
312E29.1Very low29Very low160 Ų160126.5 Ų126.575%0.74872%0.724SS**SBendcis-143.3106.20.4-158.3157.6-157.500108.3
313V31.3Very low29.5Very low91 Ų91129.2 Ų129.255%0.55273%0.725SS**  59.1107.6101.5176.70000111.1L310L310-V313 HydrophobicContact CD2-CG2 3.71Å
314N32.3Very low29.7Very low130 Ų130129.3 Ų129.370%0.69572%0.717SS**  cis-142.4147.532.6-94.2-55.5000115.2
315N30.8Very low30Very low125 Ų125130.2 Ų130.267%0.66871%0.713SS**  trans21.8132.6139.1-47.7-32000119.7
316S25Very low30.3Very low98 Ų98130.1 Ų130.169%0.68570%0.704SS**  cis64.984.615.1910000118
317S32.1Very low30.3Very low119 Ų119129.5 Ų129.583%0.83269%0.692SS**  trans-170.3115.9159.9-83.50000107.5
318Y27Very low30.5Very low217 Ų217128.6 Ų128.685%0.85168%0.679SS**  cis96.9101.518.1-148.7-83.8000115.8
319S25.1Very low31.1Very low97 Ų97127.6 Ų127.668%0.67867%0.671SS**  trans61177.716675.30000115.8
320H32.3Very low31.6Very low144 Ų144127.8 Ų127.867%0.66767%0.671SS**  cis-160.3168.8-0.7-144.62.3000105.8Q322H320-Q322 PolarHBondContact CE1-OE1 3.15Å
321I35.5Very low31.7Very low129 Ų129126.4 Ų126.466%0.66268%0.677SS**  cis-1401457.8-70.8175.6000104.5
322Q26.9Very low32Very low138 Ų138127.3 Ų127.365%0.64568%0.681SS**  cis84.773.127.8-148.7179.93.300117.2H320H320-Q322 PolarHBondContact CE1-OE1 3.15Å
323H35Very low32.2Very low169 Ų169130.9 Ų130.978%0.78269%0.687SS**  trans-131.5127.4155.4-99.9-95.9000108.4
324L32.2Very low32.2Very low104 Ų104132.5 Ų132.555%0.54570%0.697SS.*  cis64.5116.849.2-52162.6000109.4
325H32.4Very low32.1Very low151 Ų151131.7 Ų131.770%0.69970%0.7SS**  cis-159.2162.516.4-89.3-61000108.1
326D35.3Very low32.2Very low119 Ų119137.2 Ų137.264%0.63671%0.712SS**  cis-162.8176.2-5.7-12611.4000114.2
327L31.6Very low32.3Very low102 Ų102138 Ų13853%0.53472%0.717SS.*  trans49.6100.9145-67.5165.5000122.2H704L327-H704 VanDerWaalsContact CD2-CD2 3.42Å; L327-H704 WeakPolarHBondContact CD2-CD2 3.35Å
328L30.9Very low32.3Very low88 Ų88138.3 Ų138.346%0.46171%0.714SS.*  90.7152.4130-55.6-173.4000121.4H704 H705L328-H704 HydrophobicContact CD2-CB 3.52Å; L328-H704 VanDerWaalsContact CD2-O 3.3Å; L328-H704 WeakPolarHBondContact CD2-O 3.49Å; L328-H705 HydrophobicContact CD1-CB 3.73Å; L328-H705 VanDerWaalsContact CD1-CG 3.49Å; L328-H705 HydrophobicContact CD2-CB 3.71Å; L328-H705 HydrophobicContact CG-CB 4.28Å
329P40Very low32.6Very low87 Ų87132.5 Ų132.557%0.56571%0.706SS**  trans-133.4-155.1-143.348.7-31.3000112.3
330P40.5Very low33.2Very low118 Ų118133 Ų13377%0.76671%0.709SS**  cis-133.3154.5-13.637.7-21.3000116.1
331A33.4Very low33.2Very low96 Ų96131.3 Ų131.379%0.79371%0.713SS**  trans-161.2117.8154.600000116.8
332K33.7Very low33.3Very low192 Ų192129.7 Ų129.784%0.83571%0.714SS**  trans44.5104.2136.9-60.8173.8-177.51710122.2
333R33Very low33.7Very low234 Ų234130.8 Ų130.888%0.88372%0.724SS**  71.4115.8120.4-68.2-175.9-178.6174.10.3123.1
334V31.9Very low33.6Very low125 Ų125128.4 Ų128.476%0.75872%0.716SS**  85.4133.6121.2173.40000120.8
335C29.5Very low33.7Very low113 Ų113131.1 Ų131.176%0.76473%0.725SS**  trans70.9149.6172.3-75.20000116.2
336R32.2Very low33.8Very low241 Ų241128.4 Ų128.491%0.90972%0.723SS**  cis-151.316715-135.5167.4-172.5169.8-0.7111.1
337S28.4Very low33.7Very low114 Ų114130.5 Ų130.580%0.79773%0.729SS**  trans-118.9147.6-173.4-40.50000114
338T32.6Very low33.8Very low126 Ų126131.2 Ų131.277%0.77374%0.738SS**  trans179.7153.3161.131.20000109.2
339S33.1Very low33.9Very low96 Ų96132 Ų13267%0.67175%0.751SS**  cis-173.9171.6-12.249.20000111.1
340S36.3Very low33.5Very low106 Ų106131.7 Ų131.774%0.74175%0.751SS**  trans67.5133.9166.225.50000117.5
341S33.6Very low33.1Very low109 Ų109136.7 Ų136.776%0.76276%0.756SS**  cis76.4131.626.4-155.40000113.1
342S36.6Very low33Very low95 Ų95135.2 Ų135.266%0.66475%0.75SS**  cis-168.3167.75.3210000109.4
343D35Very low32.7Very low161 Ų161136.8 Ų136.886%0.86175%0.752SS**  trans-140.5162.7158.5-138.7-27.5000112.8
344I34.3Very low32.4Very low120 Ų120130.4 Ų130.462%0.61574%0.744SS**  trans-145.9133.1-154.9-37174.6000111.5
345H34.5Very low32.3Very low160 Ų160129.7 Ų129.774%0.74174%0.743SS**  164.1149.5117.1-9495.7000115.5
346S32.8Very low32.1Very low94 Ų94133.7 Ų133.766%0.65774%0.742SS**  trans64128.1161.8-64.30000117.4
347Q34.2Very low32.1Very low163 Ų163127.9 Ų127.976%0.76274%0.735SS**  cis-165.6160.42.9-12316984.500109
348T34.2Very low32.2Very low117 Ų117130.1 Ų130.172%0.71873%0.731SS**  cis-134.8-77.63.9-43.90000112.1
349S33.5Very low32.4Very low104 Ų104128.6 Ų128.673%0.72772%0.723SS**  trans-178.8169.9-163.453.30000111.6
350S30.1Very low32.2Very low81 Ų81133.8 Ų133.857%0.56673%0.734SS**  cis177.8154.2-31.5-172.60000108.5
351Y32Very low31.7Very low223 Ų223136.2 Ų136.288%0.87574%0.737SS**  trans63.9133.7171.4-52.9-71.7000117.5
352G31.4Very low31.5Very low65 Ų65139.4 Ų139.467%0.6774%0.742SS**  cis179.1153.1-8.200000114.9
353Y28.2Very low31Very low225 Ų225140.6 Ų140.688%0.88275%0.75SS**  trans49.886.9158.6-69.6-84000120.6
354S26.1Very low30.7Very low101 Ų101137.9 Ų137.971%0.70674%0.744SS**  28.2124110-175.90000119.3
355C29.2Very low30.4Very low109 Ų109137.3 Ų137.374%0.73675%0.75SS**  -166.5108.7115.3-101.30000115.3
356R26.5Very low30.2Very low197 Ų197134.3 Ų134.374%0.74375%0.747SS**  trans62.4155.5146.9-54.2-177176.3-127.4-3.8118.2
357P31.5Very low30Very low119 Ų119135.1 Ų135.177%0.77375%0.751SS**  -127.1172.682.441.9-30.7000110.9
358F29.9Very low29.9Very low162 Ų162133 Ų13371%0.71175%0.754SS**  cis58.7142.942.2-75.7-69.1000111.8
359P38.3Very low29.7Very low93 Ų93133.1 Ų133.160%0.60476%0.76SS**  cis-149.2-172.249.943.4-23.5000116.1
360F27.7Very low29.5Very low206 Ų206133.6 Ų133.690%0.90476%0.763SS**  -14884.9127.9-114.8-68.5000110
361I26.4Very low29.4Very low156 Ų156134.1 Ų134.180%0.877%0.767SS**  trans-140.2111.7157.9-59.5178.5000104.3
362M29.9Very low29.2Very low176 Ų176132.8 Ų132.887%0.86777%0.768SS**  trans-158.4108.1172.2-129-17976.400113.9
363S26.4Very low29.1Very low120 Ų120136.2 Ų136.284%0.83977%0.77SS**  trans-171.2128.2149.8-175.30000106
364S28.7Very low29.5Very low105 Ų105130.5 Ų130.573%0.73476%0.76SS**SBendcis-153.7168.6-1455.10000107
365C27.1Very low29.7Very low108 Ų108131.4 Ų131.473%0.7376%0.764SS**  cis-123.7-179.24.1-112.60000108.8
366S30.1Very low30Very low97 Ų97134 Ų13468%0.67877%0.765SS**  cis65.6130.448.6-340000114.7
367C28.5Very low30.3Very low111 Ų111130 Ų13075%0.7577%0.765SS**  cis-163.7150.9-8.9-113.20000112.4
368S31.6Very low30Very low118 Ų118128.8 Ų128.883%0.82576%0.759SS**  trans66.1169.1147.8-55.60000120.9
369S30.1Very low30.2Very low120 Ų120126.3 Ų126.384%0.83976%0.762SS**  trans-125137.8-158.2-55.30000115.3
370S30.7Very low29.7Very low114 Ų114128.3 Ų128.380%0.79777%0.772SS**  trans72.9152.8142.2-150.90000122.3
371S26.8Very low29.8Very low92 Ų92123.4 Ų123.464%0.64376%0.763SS**  trans60.782159.951.10000119.6
372H28.7Very low30.1Very low194 Ų194121.4 Ų121.490%0.89876%0.763SS**  -144.9144.1111-122.4-77.6000113.1
373I28Very low30Very low138 Ų138121.6 Ų121.671%0.70876%0.755SS**  trans-138.7152.2-167.2-70.8171.5000106
374P37.4Very low30.1Very low104 Ų104127.7 Ų127.768%0.67576%0.76SS**  cis-121.2-149.1-22.133.1-10.3000110.2
375P29.5Very low30.2Very low121 Ų121127.6 Ų127.679%0.78675%0.748SS**  -13113469.135.2-20.9000115.4
376Q36Very low30.2Very low164 Ų164129 Ų12977%0.76676%0.757SS**  trans-74.5148.6147.4-71.2-177.6-16.100108.1
377P33.2Very low30.2Very low113 Ų113130.6 Ų130.673%0.73475%0.753SS**  -118.3146.297-5.225.5000111
378S24.7Very low30.2Very low92 Ų92133.8 Ų133.864%0.64376%0.755SS**  cis63.394.838.6820000114.8
379S33.6Very low30.1Very low111 Ų111134.2 Ų134.278%0.77676%0.756SS**  175.8120.3125.743.90000115.3
380V28.7Very low29.8Very low134 Ų134134.5 Ų134.581%0.81275%0.749SS**  58.3137.9125.8-175.10000122
381S29.5Very low29.8Very low103 Ų103135.7 Ų135.772%0.7275%0.746SS**  trans71.5138.7164.1-76.70000118.3
382S33.7Very low29.8Very low115 Ų115138.1 Ų138.180%0.80475%0.752SS**  cis-130.1145.22.6-54.70000109.4
383Y27.7Very low30Very low179 Ų179137.1 Ų137.170%0.70275%0.753SS**  cis79.159.818.9-121.5-92.5000117.4H385Y383-H385 HydrophobicContact CD1-CB 3.8Å; Y383-H385 AromaticContact CD1-CG 3.99Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 HydrophobicContact CE1-CB 3.84Å; Y383-H385 AromaticContact CE1-CE1 3.63Å; Y383-H385 AromaticContact CE1-CG 3.49Å; Y383-H385 VanDerWaalsContact CE1-CG 3.49Å; Y383-H385 AromaticContact CE1-ND1 3.11Å; Y383-H385 WeakPolarHBondContact CE1-ND1 3.3Å; Y383-H385 AromaticContact CZ-CE1 3.86Å; Y383-H385 AromaticContact CZ-ND1 3.39Å; Y383-H385 PolarHBondContact OH-CE1 3.36Å; Y383-H385 PolarHBondContact OH-ND1 3.28Å
384R27.3Very low30.1Very low248 Ų248135 Ų13594%0.93675%0.751SS**  -122.1121.1125.1-68.3-170.3-176-161.52.9106
385H30.4Very low29.6Very low104 Ų104136.5 Ų136.548%0.48175%0.753SS.*  cis65.98623.2-138.384000113Y383 H387Y383-H385 HydrophobicContact CD1-CB 3.8Å; Y383-H385 AromaticContact CD1-CG 3.99Å; Y383-H385 AromaticContact CD1-ND1 4Å; Y383-H385 HydrophobicContact CE1-CB 3.84Å; Y383-H385 AromaticContact CE1-CE1 3.63Å; Y383-H385 AromaticContact CE1-CG 3.49Å; Y383-H385 VanDerWaalsContact CE1-CG 3.49Å; Y383-H385 AromaticContact CE1-ND1 3.11Å; Y383-H385 WeakPolarHBondContact CE1-ND1 3.3Å; Y383-H385 AromaticContact CZ-CE1 3.86Å; Y383-H385 AromaticContact CZ-ND1 3.39Å; Y383-H385 PolarHBondContact OH-CE1 3.36Å; Y383-H385 PolarHBondContact OH-ND1 3.28Å; H385-H387 AromaticContact CE1-CD2 3.28Å; H385-H387 PolarHBondContact CE1-CD2 2.98Å; H385-H387 AromaticContact CE1-CG 3.97Å; H385-H387 AromaticContact ND1-CD2 3.89Å; H385-H387 AromaticContact NE2-CD2 3.62Å; H385-H387 AromaticContact NE2-CG 3.84Å
386C29Very low29.6Very low136 Ų136137.1 Ų137.192%0.91975%0.749SS**  trans-120.980.5150.8-163.30000107.4
387H28.8Very low29.2Very low131 Ų131136.5 Ų136.561%0.60675%0.752SS**  trans-78.7152.8174.7-124.6-97.4000110.1H385H385-H387 AromaticContact CE1-CD2 3.28Å; H385-H387 PolarHBondContact CE1-CD2 2.98Å; H385-H387 AromaticContact CE1-CG 3.97Å; H385-H387 AromaticContact ND1-CD2 3.89Å; H385-H387 AromaticContact NE2-CD2 3.62Å; H385-H387 AromaticContact NE2-CG 3.84Å
388K29Very low28.9Very low178 Ų178137.7 Ų137.777%0.77475%0.752SS**  trans54.693.3162.4-65.8-179.3175.3-178.60117.6
389C28.6Very low29.1Very low127 Ų127141 Ų14186%0.85876%0.762SS**  -145.8134.8104.6-90.70000105.9
390N24.7Very low28.9Very low127 Ų127143.6 Ų143.668%0.67976%0.762SS**  cis57.277.59.2-149.496.8000114.7
391N29.7Very low29.2Very low138 Ų138144.2 Ų144.274%0.73876%0.756SS**  -156.6153109.5-90.9-10.5000110.8
392N26.9Very low29.8Very low144 Ų144144.7 Ų144.777%0.7776%0.759SS**  trans-22.1132.5172.5-45.7-16.8000116.8
393D32.9Very low30.1Very low173 Ų173142.2 Ų142.293%0.92574%0.742SS**  -143.3160102.6-111.4-33.7000110.4
394S31.6Very low30.8Very low94 Ų94136.1 Ų136.166%0.65773%0.728SS**  trans-117.1166.9-158.9-161.80000114.5
395N27.1Very low31.6Very low134 Ų134127.3 Ų127.372%0.71771%0.708SS**  trans72.2121.1165.7-52.9-11.3000114.2
396N28.9Very low32.4Very low134 Ų134128.5 Ų128.572%0.71772%0.716SS**  cis-155.3158.432.4-90.9-44.5000114.2
397N27.5Very low33.6Very low152 Ų152126.9 Ų126.981%0.81370%0.698SS**  trans55.667.5146.7-60.1-13.1000119.3N399N397-N399 PolarHBondContact O-N 3.14Å
398N26.5Very low34.9Very low138 Ų138128.2 Ų128.274%0.73870%0.702SS**  trans-81107.9160-122.7-26.8000110.6
399N28.1Very low36.5Very low160 Ų160124.2 Ų124.286%0.85669%0.692SS**  trans-157.528158.9-128.3-9.5000115.9N397N397-N399 PolarHBondContact O-N 3.14Å
400Q31.4Very low38Very low166 Ų166123 Ų12378%0.77668%0.675SS**SBendtrans-136.731.4176.9-70.4-161.5-3.500115S403Q400-S403 PolarHBondContact O-OG 2.63Å
401H34.7Very low39.8Very low147 Ų147121.8 Ų121.868%0.68167%0.665SS**SBendtrans-105.5-11.3-179.8-85.3-63.2000117.1
402S41.5Very low41.2Very low113 Ų113118.3 Ų118.379%0.7965%0.652SS**Hα-helixtrans-79.2-23.9173.7-52.40000113.7
403S40.5Very low42.2Very low64 Ų64119.2 Ų119.245%0.44865%0.645SS.*Hα-helixtrans-74.3-39.7-178.750.40000113.1Q400 A405 M406 L407Q400-S403 PolarHBondContact O-OG 2.63Å; S403-A405 PolarHBondContact O-N 3.24Å; S403-M406 PolarHBondContact O-N 2.7Å; S403-L407 WeakPolarHBondContact O-CB 3.49Å; S403-L407 PolarHBondContact O-N 3.36Å
404A42.3Very low43.5Very low50 Ų50116.8 Ų116.841%0.41363%0.63SS.*Hα-helixtrans-65.5-35.3-174.300000113.7K408A404-K408 PolarHBondContact O-N 3.08Å
405A44.4Very low44.7Very low63 Ų63121.7 Ų121.752%0.52163%0.634SS.*Hα-helixtrans-68.6-47.2174.100000111.2S403 L407 K408 T409S403-A405 PolarHBondContact O-N 3.24Å; A405-L407 VanDerWaalsContact C-N 3.33Å; A405-L407 PolarHBondContact O-N 3.4Å; A405-K408 PolarHBondContact O-N 2.67Å; A405-K408 VanDerWaalsContact O-N 3.15Å; A405-T409 PolarHBondContact O-N 3Å; A405-T409 VanDerWaalsContact O-N 3.08Å; A405-T409 PolarHBondContact O-OG1 2.9Å
406M45.8Very low46.3Very low129 Ų129120.3 Ų120.364%0.63563%0.631SS**Hα-helixtrans-62.8-37.4178.8-167173.2-177.300112.4S403 T409 M410S403-M406 PolarHBondContact O-N 2.7Å; M406-T409 PolarHBondContact O-N 3.17Å; M406-M410 WeakPolarHBondContact O-CB 3.16Å; M406-M410 WeakPolarHBondContact O-CG 3.22Å; M406-M410 PolarHBondContact O-N 3.2Å
407L54.3Low47.4Very low103 Ų103118.1 Ų118.154%0.53962%0.619SS.*Hα-helixtrans-62.7-39.9173.2-105.7125.7000112.8S403 A405 M410 Q411S403-L407 WeakPolarHBondContact O-CB 3.49Å; S403-L407 PolarHBondContact O-N 3.36Å; A405-L407 VanDerWaalsContact C-N 3.33Å; A405-L407 PolarHBondContact O-N 3.4Å; L407-M410 PolarHBondContact O-N 2.73Å; L407-Q411 WeakPolarHBondContact O-CB 3.46Å; L407-Q411 WeakPolarHBondContact O-CG 3.18Å; L407-Q411 PolarHBondContact O-N 3.33Å
408K56.2Low48.2Very low159 Ų159116.5 Ų116.569%0.69162%0.616SS**Hα-helixtrans-64.4-43.6174.1-76.3-176.4176.5-178.50111.4A404 A405 Q411 S412A404-K408 PolarHBondContact O-N 3.08Å; A405-K408 PolarHBondContact O-N 2.67Å; A405-K408 VanDerWaalsContact O-N 3.15Å; K408-Q411 PolarHBondContact O-N 3.16Å; K408-S412 PolarHBondContact O-N 2.89Å; K408-S412 PolarHBondContact O-OG 2.84Å
409T63.3Low48.6Very low94 Ų94120.8 Ų120.858%0.57762%0.622SS**Hα-helixtrans-64.4-41.1177.2-49.70000112.3A405 M406 S412 Y413A405-T409 PolarHBondContact O-N 3Å; A405-T409 VanDerWaalsContact O-N 3.08Å; A405-T409 PolarHBondContact O-OG1 2.9Å; M406-T409 PolarHBondContact O-N 3.17Å; T409-S412 WeakPolarHBondContact CA-OG 3.34Å; T409-S412 PolarHBondContact O-N 2.97Å; T409-S412 PolarHBondContact O-OG 3.32Å; T409-Y413 PolarHBondContact O-N 3.1Å
410M60.9Low49.1Very low101 Ų101119.2 Ų119.250%0.49862%0.621SS.*Hα-helixtrans-65.8-37.2172.4-76-173.469.800112.4M406 L407 Y413 M414M406-M410 WeakPolarHBondContact O-CB 3.16Å; M406-M410 WeakPolarHBondContact O-CG 3.22Å; M406-M410 PolarHBondContact O-N 3.2Å; L407-M410 PolarHBondContact O-N 2.73Å; M410-Y413 PolarHBondContact O-N 3.13Å; M410-M414 HydrophobicContact CE-CE 4.46Å; M410-M414 WeakPolarHBondContact O-CB 3.24Å; M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.22Å; M410-M414 PolarHBondContact O-N 3.15Å
411Q60.8Low49.2Very low102 Ų102118.8 Ų118.848%0.47762%0.622SS.*Hα-helixtrans-66.8-32.7174.4-79.5-174-1.500113.1L407 K408 R415L407-Q411 WeakPolarHBondContact O-CB 3.46Å; L407-Q411 WeakPolarHBondContact O-CG 3.18Å; L407-Q411 PolarHBondContact O-N 3.33Å; K408-Q411 PolarHBondContact O-N 3.16Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.38Å; Q411-R415 PolarHBondContact O-N 3.24Å
412S60.6Low49Very low64 Ų64116.2 Ų116.245%0.44863%0.626SS.*Hα-helixtrans-66.8-44.7167.736.10000111.8K408 T409 M414 R415 T416K408-S412 PolarHBondContact O-N 2.89Å; K408-S412 PolarHBondContact O-OG 2.84Å; T409-S412 WeakPolarHBondContact CA-OG 3.34Å; T409-S412 PolarHBondContact O-N 2.97Å; T409-S412 PolarHBondContact O-OG 3.32Å; S412-M414 PolarHBondContact O-N 3.12Å; S412-R415 WeakPolarHBondContact O-CB 3.33Å; S412-R415 PolarHBondContact O-N 3.33Å; S412-R415 VanDerWaalsContact O-N 3.12Å; S412-T416 PolarHBondContact O-N 3.46Å; S412-T416 PolarHBondContact O-OG1 2.8Å
413Y48Very low48.3Very low163 Ų163116.6 Ų116.664%0.63962%0.623SS**Hα-helixtrans-65.7-40.2-178-154.8-95.2000112.6T409 M410 R415 T416 L417T409-Y413 PolarHBondContact O-N 3.1Å; M410-Y413 PolarHBondContact O-N 3.13Å; Y413-R415 VanDerWaalsContact C-N 3.28Å; Y413-R415 PolarHBondContact O-N 3.41Å; Y413-T416 WeakPolarHBondContact CA-OG1 3.3Å; Y413-T416 PolarHBondContact O-N 3.23Å; Y413-T416 VanDerWaalsContact O-N 3.13Å; Y413-T416 PolarHBondContact O-OG1 3.04Å; Y413-L417 HydrophobicContact CE1-CD2 4.39Å; Y413-L417 PolarHBondContact O-N 3.35Å
414M59.9Low47.9Very low122 Ų122123.3 Ų123.360%0.60164%0.639SS**Hα-helixtrans-66.6-26.2174-70.6-69.2-176.900113.1M410 S412 T416 L417M410-M414 HydrophobicContact CE-CE 4.46Å; M410-M414 WeakPolarHBondContact O-CB 3.24Å; M410-M414 VanDerWaalsContact O-CG 3.26Å; M410-M414 WeakPolarHBondContact O-CG 3.22Å; M410-M414 PolarHBondContact O-N 3.15Å; S412-M414 PolarHBondContact O-N 3.12Å; M414-T416 VanDerWaalsContact C-N 3.34Å; M414-L417 HydrophobicContact SD-CD1 3.83Å
415R55.7Low47.4Very low197 Ų197128.4 Ų128.474%0.74366%0.659SS**Hα-helixtrans-75.6-21.3172.1-78.7174.5175.9126.6-2.2113.1Q411 S412 Y413Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.38Å; Q411-R415 PolarHBondContact O-N 3.24Å; S412-R415 WeakPolarHBondContact O-CB 3.33Å; S412-R415 PolarHBondContact O-N 3.33Å; S412-R415 VanDerWaalsContact O-N 3.12Å; Y413-R415 VanDerWaalsContact C-N 3.28Å; Y413-R415 PolarHBondContact O-N 3.41Å
416T60.3Low46.6Very low105 Ų105131.6 Ų131.664%0.64467%0.667SS**Hα-helixtrans-94.7-4.2177.847.30000114.5S412 Y413 M414S412-T416 PolarHBondContact O-N 3.46Å; S412-T416 PolarHBondContact O-OG1 2.8Å; Y413-T416 WeakPolarHBondContact CA-OG1 3.3Å; Y413-T416 PolarHBondContact O-N 3.23Å; Y413-T416 VanDerWaalsContact O-N 3.13Å; Y413-T416 PolarHBondContact O-OG1 3.04Å; M414-T416 VanDerWaalsContact C-N 3.34Å
417L52.4Low46Very low89 Ų89130.6 Ų130.647%0.46667%0.673SS.*SBendtrans-76.4136172.5-69.5176.9000110.8Y413 M414 R419Y413-L417 HydrophobicContact CE1-CD2 4.39Å; Y413-L417 PolarHBondContact O-N 3.35Å; M414-L417 HydrophobicContact SD-CD1 3.83Å; L417-R419 PolarHBondContact O-N 3.44Å
418P43.9Very low44.8Very low118 Ų118135.1 Ų135.177%0.76669%0.688SS**PPolyproline II helixtrans-56.3131.4169.8-23.733.8000110.6
419R36.4Very low43.7Very low228 Ų228135 Ų13586%0.8669%0.693SS**PPolyproline II helixtrans-59.9135175.8-68.9-174.1178.6-167.80.6109.4L417 I421L417-R419 PolarHBondContact O-N 3.44Å; R419-I421 PolarHBondContact O-N 3.29Å; R419-I421 VanDerWaalsContact O-N 3.17Å
420P38Very low42.2Very low127 Ų127136.5 Ų136.583%0.82570%0.702SS**PPolyproline II helixtrans-60.9122175.125.3-33.2000109.4A422P420-A422 PolarHBondContact O-N 3.37Å; P420-A422 VanDerWaalsContact O-N 3.15Å
421I34.4Very low40.5Very low156 Ų156141.4 Ų141.480%0.872%0.717SS**  trans-69.9111.7178.3-61.3174.5000107.7R419 V423R419-I421 PolarHBondContact O-N 3.29Å; R419-I421 VanDerWaalsContact O-N 3.17Å; I421-V423 PolarHBondContact O-N 3.29Å
422A29.3Very low39Very low93 Ų93143.8 Ų143.877%0.76973%0.733SS**  trans-67103.7169.900000108.7P420 R424P420-A422 PolarHBondContact O-N 3.37Å; P420-A422 VanDerWaalsContact O-N 3.15Å; A422-R424 PolarHBondContact O-N 3.28Å
423V27.4Very low37.4Very low121 Ų121147.3 Ų147.373%0.73374%0.742SS**  trans-68.798.3177.3-179.70000109I421 L425I421-V423 PolarHBondContact O-N 3.29Å; V423-L425 PolarHBondContact O-N 3.49Å
424R31.7Very low36.6Very low205 Ų205149 Ų14977%0.77475%0.753SS**  trans-65.5125.8161.2-91.5-170.3163.996.9-1.6108.6A422 D426A422-R424 PolarHBondContact O-N 3.28Å; R424-D426 VanDerWaalsContact C-N 3.25Å; R424-D426 PolarHBondContact O-N 2.98Å; R424-D426 VanDerWaalsContact O-N 3.1Å
425L31.4Very low35.6Very low158 Ų158149 Ų14983%0.82777%0.765SS**  trans-8273168.4-73.5171.2000109.5V423 S427V423-L425 PolarHBondContact O-N 3.49Å; L425-S427 PolarHBondContact O-N 3.21Å
426D28.4Very low34.3Very low130 Ų130148.2 Ų148.270%0.69577%0.766SS**  trans-75.771.8175.3-72-35.8000110.9R424 K428R424-D426 VanDerWaalsContact C-N 3.25Å; R424-D426 PolarHBondContact O-N 2.98Å; R424-D426 VanDerWaalsContact O-N 3.1Å; D426-K428 VanDerWaalsContact C-N 3.26Å; D426-K428 PolarHBondContact O-N 2.86Å
427S32.2Very low32.7Very low108 Ų108148.6 Ų148.676%0.75577%0.773SS**  trans-75.669.9178.762.80000112.5L425 I429L425-S427 PolarHBondContact O-N 3.21Å; S427-I429 VanDerWaalsContact C-N 3.34Å; S427-I429 PolarHBondContact O-N 3.5Å
428K29.7Very low31.5Very low198 Ų198149.8 Ų149.886%0.86179%0.788SS**  trans-73.481.6169-88.2-171.4173.8179.30111.5D426D426-K428 VanDerWaalsContact C-N 3.26Å; D426-K428 PolarHBondContact O-N 2.86Å
429I33Very low30.9Very low155 Ų155150.9 Ų150.980%0.79579%0.793SS**  trans-140.2126.8167.5-65.9-175.3000107.9S427S427-I429 VanDerWaalsContact C-N 3.34Å; S427-I429 PolarHBondContact O-N 3.5Å
430V31.7Very low30.5Very low127 Ų127146.9 Ų146.977%0.7779%0.788SS**  cis-154.6157.2-11.1115.20000108.2
431Y25.1Very low29.9Very low204 Ų204148.1 Ų148.180%0.879%0.785SS**  trans-64134.5168.2-89.1-104000111.6
432N28.7Very low29.7Very low152 Ų152147.2 Ų147.281%0.81378%0.782SS**  -161.4145105.3-121.2-40.3000114.7
433E28.5Very low29.6Very low138 Ų138149.5 Ų149.565%0.64578%0.781SS**  trans-73.5159.7169.7-55179.9116.900111
434K31.2Very low29.6Very low198 Ų198149.5 Ų149.586%0.86178%0.781SS**  trans-158152.7149.8-116.5163.1-172.1176.60112.5
435S37.4Very low29.6Very low122 Ų122148.7 Ų148.785%0.85378%0.783SS**  trans57.385.7170.235.70000117
436K28.8Very low29.3Very low180 Ų180149.1 Ų149.178%0.78379%0.785SS**  trans-79.3128.5156.6-66.7170.6-179.8166.60109.6
437S28Very low29.5Very low113 Ų113150.7 Ų150.779%0.7979%0.793SS**  trans-166.2103.1159.2-171.40000108.1
438C25.6Very low29.2Very low114 Ų114152.3 Ų152.377%0.7779%0.793SS**  89.453.360.2-65.80000115.7
439T32.9Very low29.5Very low141 Ų141147 Ų14787%0.86578%0.781SS**  trans-159147.6147.139.50000108.5
440N27.6Very low29.2Very low144 Ų144147 Ų14777%0.7778%0.783SS**  cis-146.3169.6-25.3-171.232.1000108.7
441M25.4Very low29.4Very low154 Ų154146.7 Ų146.776%0.75978%0.777SS**  trans-77.1-175.2167-75.7175.353.900112.5
442D30.6Very low29.8Very low136 Ų136143.3 Ų143.373%0.72777%0.772SS**  trans92.3115.2-179.7-56.4-21.5000113.4
443N26Very low29.8Very low142 Ų142142 Ų14276%0.75977%0.765SS**  cis71.512719.6-1398.7000114
444V27.4Very low30.2Very low121 Ų121141.5 Ų141.573%0.73377%0.772SS**  trans84.1137.4175.8-176.10000118.4
445K31.3Very low30.3Very low187 Ų187138.2 Ų138.281%0.81376%0.764SS**  trans73.7133.5177.6-72.2150.8-173.9173.70116.2
446L25.8Very low30.1Very low167 Ų167139.8 Ų139.887%0.87476%0.763SS**  cis69.561.927.4-62.3169.4000116
447L33.2Very low30.3Very low164 Ų164134.6 Ų134.686%0.85976%0.76SS**  trans-133.1124.5136.9-71.1170.7000104.5
448N24.9Very low30.5Very low142 Ų142133.3 Ų133.376%0.75977%0.765SS**  cis71.3133.135.6-157.939.5000113.6
449S36.6Very low31Very low87 Ų87131 Ų13161%0.60876%0.76SS**  trans64124.2-166.5-57.10000112.8
450N27.4Very low31.1Very low154 Ų154130.4 Ų130.482%0.82476%0.756SS**  cis64.8162.726.8-139.846.4000113.2
451D35.2Very low31.2Very low121 Ų121131.3 Ų131.365%0.64776%0.761SS**  trans74.7138.3-171.5-49.9-17.1000113.5
452N34.3Very low31.5Very low132 Ų132134.8 Ų134.871%0.70677%0.765SS**  cis-143.4126.3-6.8-104.1-45.8000107.3
453N27.2Very low31.2Very low125 Ų125134.7 Ų134.767%0.66877%0.765SS**  84.6103.869.9-177.213.6000113.8
454T38.1Very low31.3Very low128 Ų128132.7 Ų132.779%0.78575%0.754SS**  trans-158.1115.9146.1-5.80000111.2
455N32.6Very low31.4Very low128 Ų128132.2 Ų132.268%0.68475%0.747SS**SBendtrans39.7121.8141.5-60.1-1.6000119.4
456N34.4Very low31.3Very low156 Ų156130.7 Ų130.783%0.83475%0.748SS**  cis-146.9155.19.4-71.2-48.4000110.4
457G32.6Very low31.5Very low71 Ų71129.2 Ų129.273%0.73274%0.741SS**  cis152127.2-5.300000112.3
458G32.4Very low31.5Very low86 Ų86126.9 Ų126.989%0.88773%0.73SS**  trans78.2145.5179.300000114.4
459G34.3Very low31.9Very low65 Ų65126.1 Ų126.167%0.6773%0.726SS**  cis167164-6.900000112.9
460T35.5Very low31.7Very low128 Ų128129 Ų12979%0.78573%0.734SS**  trans53.9122.1161.3530000119.7
461L31Very low31.8Very low164 Ų164128.6 Ų128.686%0.85973%0.732SS**  45.4114127.4-50.9170.5000116.5
462R30.1Very low31.8Very low227 Ų227132.2 Ų132.286%0.85774%0.744SS**  -159.5141.852-119.4-179.8-179-163.9-0.2112.1
463N25.7Very low31.7Very low133 Ų133128.9 Ų128.971%0.71174%0.742SS**  trans-82143.3150.6-176.626.3000108.7
464N27.7Very low31.7Very low101 Ų101129.1 Ų129.154%0.5475%0.747SS.*  trans59.3157.9168.1-72-13000117.1
465N28.8Very low31.3Very low111 Ų111130 Ų13059%0.59475%0.746SS**  cis-149.4161.7-12-127.9-22.7000108.5
466N29.6Very low31.3Very low155 Ų155131.6 Ų131.683%0.82975%0.753SS**  trans-174.679136.1-99-4.6000111.9
467N30.4Very low30.9Very low136 Ų136135.2 Ų135.273%0.72776%0.755SS**SBend-143.893123.3-137.3-8000110.8
468N33.2Very low31Very low115 Ų115137 Ų13762%0.61575%0.754SS**  trans60.2108.8151.4-59.7-12.1000121.1
469N32.8Very low30.8Very low126 Ų126142.1 Ų142.167%0.67475%0.752SS**  94.994.6124.7-60.4-3.7000120.9
470N31.7Very low30.9Very low147 Ų147144 Ų14479%0.78675%0.752SS**  80.7102.1120.6-59.4-1.8000119.5
471D31.1Very low30.5Very low145 Ų145144.9 Ų144.978%0.77575%0.751SS**  trans-47.9156.1161.1-49.4-99.1000115.5
472H33.8Very low30.6Very low197 Ų197143.2 Ų143.291%0.91274%0.743SS**  -161.7135.8118.4-93.6-56.1000112.4
473G32.7Very low30.6Very low63 Ų63138.3 Ų138.365%0.64973%0.733SS**  88.758125.300000121.3
474V27.6Very low30.8Very low130 Ų130138.3 Ų138.379%0.78873%0.733SS**  41.9122.8109.9173.20000119.6
475I29.2Very low31.1Very low146 Ų146138.6 Ų138.675%0.74974%0.743SS**  trans99122.1144-95168.6000123.3
476L32.6Very low31.2Very low162 Ų162140.9 Ų140.985%0.84875%0.748SS**  trans72.7158.5149.1-66.3174.8000124.5
477R25.7Very low31.3Very low232 Ų232139.5 Ų139.588%0.87574%0.741SS**  trans-99.1177.2-174.3-72.5173.6170.2173.7-4.3111.1
478P34.9Very low31.3Very low107 Ų107142 Ų14270%0.69575%0.745SS**  cis-141.9-172.6-40.440.4-23.2000114.6
479K29.3Very low31.1Very low195 Ų195144.6 Ų144.685%0.84876%0.755SS**  trans77.8157.2157.2-76.6-171.9174-173.40117.9
480P34.8Very low30.9Very low103 Ų103144.7 Ų144.767%0.66976%0.756SS**  -139.8-169.2-66.436.8-15000113.7
481L28.2Very low30.7Very low148 Ų148144.6 Ų144.678%0.77576%0.755SS**  trans73.3141.1167.6-57.4163.9000115.8
482D32.6Very low30.4Very low128 Ų128140 Ų14068%0.68474%0.743SS**  cis-173167-19-120.925.4000107.9
483L31.2Very low30.1Very low124 Ų124134.9 Ų134.965%0.64973%0.729SS**  cis-159.7161.7-4.9-173.756.8000109.1
484N30Very low30.1Very low133 Ų133138.6 Ų138.671%0.71172%0.723SS**  trans77.2138.3175.7-47.9-67.1000114.7
485S32.5Very low30.2Very low108 Ų108137 Ų13776%0.75571%0.709SS**  cis-157.3144.326.9156.40000109.4
486F31.6Very low30.2Very low158 Ų158133.8 Ų133.869%0.69370%0.7SS**  cis-161.3150.22.3-135.3-113000110.2
487N30.8Very low29.9Very low126 Ų126136.2 Ų136.267%0.67470%0.698SS**  trans59.2146.3158.8-83.6-9.6000120.5
488K31.6Very low30.3Very low190 Ų190133.7 Ų133.783%0.82670%0.696SS**  cis-161.7162.9-17.1-141.8178.2-176.8-171.10109.4
489M27.7Very low29.9Very low168 Ų168137.4 Ų137.483%0.82870%0.704SS**  trans-117.3139.8179.2-73173.363.600114
490N28.9Very low30.2Very low128 Ų128132.8 Ų132.868%0.68469%0.694SS**  trans44.3123.2144.7-67.827.1000123.5
491N27.5Very low30.1Very low145 Ų145135.3 Ų135.378%0.77570%0.701SS**  76.298.4129.6-59.216.8000120.8
492G26.1Very low30.2Very low50 Ų50137.1 Ų137.152%0.51570%0.703SS.*  114.9124.695.600000119.6
493S27.9Very low29.8Very low89 Ų89136.5 Ų136.562%0.62270%0.699SS**  trans73.4139.9165.7-23.50000114.5
494R31.3Very low29.8Very low140 Ų140139.9 Ų139.953%0.52871%0.709SS.*  cis-142.5-171.511.9-67.9173.7137.9-1593.1110.6P1120 E1121 M1123R494-P1120 WeakPolarHBondContact CA-O 3.42Å; R494-E1121 HydrophobicContact CB-CB 4.1Å; R494-E1121 HydrophobicContact CB-CG 3.97Å; R494-E1121 WeakPolarHBondContact CD-OE1 3.46Å; R494-E1121 HydrophobicContact CG-CB 4.28Å; R494-E1121 HydrophobicContact CG-CG 3.84Å; R494-E1121 IonicContact CZ-OE1 3.02Å; R494-E1121 IonicContact NE-OE1 3.16Å; R494-E1121 PolarHBondContact NE-OE1 2.84Å; R494-E1121 VanDerWaalsContact NE-OE1 3.16Å; R494-E1121 IonicContact NH1-OE1 2.67Å; R494-E1121 PolarHBondContact NH1-OE1 3.24Å; R494-E1121 IonicContact NH2-OE1 3.92Å; R494-M1123 PolarHBondContact NH1-SD 3.41Å
495I30.5Very low29.7Very low96 Ų96136.8 Ų136.849%0.49271%0.709SS.*  trans-104-172.9-171.949.951.1000112.9E1121I495-E1121 HydrophobicContact CD1-CB 3.59Å; I495-E1121 HydrophobicContact CD1-CG 4.42Å; I495-E1121 WeakPolarHBondContact CD1-OE2 3.26Å; I495-E1121 HydrophobicContact CG1-CB 3.61Å
496S28.8Very low29.7Very low79 Ų79138 Ų13855%0.55272%0.717SS**  cis-164.3179.517.346.90000114.7
497W27.1Very low29.6Very low214 Ų214134.2 Ų134.281%0.81172%0.723SS**  trans48.596.6159.5-54.8111.8000118.5
498H33.2Very low29.8Very low179 Ų179132.9 Ų132.983%0.82973%0.73SS**  168.5119.1103.8-88.1-69.9000112.1
499H27.5Very low29.9Very low184 Ų184127.9 Ų127.985%0.85272%0.723SS**  trans-93.5166.6163.2-86.3-80.9000110.1
500P35Very low29.9Very low99 Ų99128.5 Ų128.564%0.64372%0.724SS**  cis-133.4167.5-23.232.9-15.3000113.5
501L31.9Very low30Very low156 Ų156128 Ų12882%0.81773%0.726SS**  166.4171.1123.1-87.7169.9000112.4N503L501-N503 PolarHBondContact O-N 3.2Å
502F29.9Very low30.1Very low186 Ų186130.3 Ų130.382%0.81673%0.729SS**  trans-71.2119.6-160.6-75.8-100000116.7
503N25.4Very low30Very low115 Ų115133.7 Ų133.762%0.61574%0.744SS**  70151.9117.2-153.414.4000120.8L501L501-N503 PolarHBondContact O-N 3.2Å
504F31.8Very low30Very low194 Ų194135.5 Ų135.585%0.85176%0.756SS**  trans67.2141.5-179.2-51.5-79.1000116.5
505G26.5Very low29.8Very low69 Ų69132.5 Ų132.571%0.71175%0.751SS**  cis154.3126.5-10.400000114.2
506S32.1Very low29.5Very low133 Ų133131.2 Ų131.293%0.9375%0.745SS**  trans-172.8145.4167.2-79.30000108.1
507G31Very low29.5Very low78 Ų78135.6 Ų135.680%0.80476%0.762SS**  cis-173.5173.1-5.700000108.2
508A34.4Very low29.5Very low99 Ų99128.4 Ų128.482%0.81875%0.754SS**  cis-158.2168.52.900000111.7
509A33.8Very low29.1Very low84 Ų84126.5 Ų126.569%0.69475%0.75SS**  trans49.8118155.700000119.6
510Q27.4Very low29Very low182 Ų182125.6 Ų125.685%0.8575%0.752SS**  61.8137.258.1-53.6178.44.600112.4
511T31.9Very low28.6Very low116 Ų116128 Ų12871%0.71276%0.758SS**  cis-153.4177.441.954.20000110.3
512K29.2Very low28.3Very low194 Ų194125.7 Ų125.784%0.84376%0.755SS**  cis-156.5159.35.4-138.2159.4-172.21760110.2
513C22.9Very low28.3Very low122 Ų122121.3 Ų121.382%0.82475%0.748SS**  trans-88156.5177.5-35.20000112.8
514S27.8Very low28.4Very low126 Ų126124 Ų12488%0.88176%0.756SS**  trans-161.7169.7130.4-155.90000112.1
515N26.9Very low28.3Very low78 Ų78121.1 Ų121.142%0.41776%0.755SS.*  trans-95.2149.3-165.2-96-57000115.3K136K136-N515 VanDerWaalsContact C-OD1 3.26Å; K136-N515 WeakPolarHBondContact CB-OD1 3.1Å; K136-N515 PolarHBondContact O-ND2 3Å; K136-N515 PolarHBondContact O-OD1 3.35Å; K136-N515 VanDerWaalsContact O-OD1 3.09Å
516N24.7Very low28.2Very low69 Ų69126.5 Ų126.537%0.36976%0.762SS.*  trans44.7100.1145.8-57.5-36.9000119.4S135 K136S135-N516 PolarHBondContact OG-ND2 3.16Å; S135-N516 VanDerWaalsContact OG-ND2 3.08Å; K136-N516 WeakPolarHBondContact CD-OD1 3.28Å; K136-N516 WeakPolarHBondContact CE-OD1 3.16Å; K136-N516 PolarHBondContact NZ-OD1 3.31Å
517N29.2Very low28Very low170 Ų170126.3 Ų126.391%0.90976%0.755SS**  -158.2159.9105-99-29.1000110.8
518G26.5Very low27.9Very low63 Ų63127.6 Ų127.665%0.64975%0.751SS**  trans-86.3-177.4177.800000113.6
519N26Very low27.6Very low140 Ų140131.6 Ų131.675%0.74975%0.753SS**  trans70.885.1167.6-54.1-9.1000117.1
520N25.1Very low27.4Very low165 Ų165133.2 Ų133.288%0.88275%0.754SS**  -113.2116.3113.2-77.4-48.7000104.9
521L25.9Very low27.5Very low149 Ų149130.3 Ų130.378%0.7875%0.749SS**  cis59.4145.946.2-99167.2000112.7
522S24.9Very low27.5Very low107 Ų107132 Ų13275%0.74875%0.753SS**SBendtrans-52.6140.1-168.5-170.40000112.5Q524S522-Q524 PolarHBondContact O-N 3.08Å
523S30.7Very low27.6Very low95 Ų95129.6 Ų129.666%0.66475%0.745SS**  trans-54.8130.6160.548.90000110.3
524Q28.1Very low28Very low170 Ų170130.7 Ų130.779%0.79474%0.737SS**  trans39.6117.6132.1-62.9178.2-800118.8S522S522-Q524 PolarHBondContact O-N 3.08Å
525T30.2Very low28.3Very low134 Ų134131 Ų13182%0.82273%0.729SS**  61.8105.4123.6-43.80000118.5
526E24.2Very low28.6Very low183 Ų183133.2 Ų133.286%0.85574%0.741SS**  trans-74.4147.7158.2-59.7-178.8132.200111.6
527V27.4Very low28.8Very low129 Ų129135 Ų13578%0.78276%0.759SS**  165.6138.4125.5154.50000111.1
528S28Very low29.3Very low104 Ų104132.4 Ų132.473%0.72775%0.751SS**  trans68.8138.4176-62.30000116.8
529E29.6Very low29.6Very low183 Ų183135.5 Ų135.586%0.85576%0.757SS**  cis-118.8123.2-0.2-71.7-173.910900110.2
530V27.9Very low29.7Very low118 Ų118134.9 Ų134.972%0.71575%0.754SS**  64.6105.290.7179.40000115.5
531T30.1Very low29.7Very low121 Ų121136.2 Ų136.274%0.74275%0.752SS**  -168.7128.5122.212.50000112.4
532L32.3Very low30.2Very low153 Ų153133.9 Ų133.980%0.80175%0.746SS**  trans59.6126.8151.9-54.5167.3000117.9
533Q30.7Very low30.6Very low143 Ų143136.8 Ų136.867%0.66875%0.748SS**  cis-162143.68.6-111.9-180-43.500111.1
534H32.9Very low30.5Very low145 Ų145136.2 Ų136.267%0.67175%0.749SS**  trans52.4142.9150.1-57.1-49.4000120.5
535N32.3Very low30.7Very low131 Ų131136.2 Ų136.270%0.70175%0.749SS**  cis-173.8157.70.3-105.62.1000108.2
536N33.1Very low30.7Very low126 Ų126133.8 Ų133.867%0.67474%0.737SS**  cis-167.5129.4-15.8-161.8-9.1000112.2
537S29.6Very low31Very low107 Ų107132.6 Ų132.675%0.74874%0.736SS**  trans67.9162.6150.7-72.90000122.7
538P39.2Very low31Very low114 Ų114133.6 Ų133.674%0.7474%0.737SS**  trans-110.2-164.9-165.443.6-34.8000113.8
539T33Very low31.2Very low128 Ų128135.4 Ų135.479%0.78574%0.738SS**  trans161.4166.1136.7-61.60000112
540D28Very low31.3Very low127 Ų127133.3 Ų133.368%0.67973%0.728SS**  trans-51.1157.1-171-66.5-72.9000122.2
541F25.5Very low31.6Very low193 Ų193136 Ų13685%0.84673%0.73SS**  trans34.2166.9136.6-75.8-93000122.6
542P37Very low31.4Very low100 Ų100135.8 Ų135.865%0.64973%0.734SS**  cis-121.8-147.2-0.831.1-5.9000110.7
543Q32.6Very low31.4Very low169 Ų169135.2 Ų135.279%0.7974%0.737SS**  cis-160.2137.92.8-160.4163.2-70.100113.3
544A29.5Very low31.3Very low82 Ų82139 Ų13968%0.67875%0.745SS**  trans61.4153.3156.900000119.6
545H31.3Very low31.2Very low171 Ų171139.3 Ų139.379%0.79275%0.751SS**  cis-142.3135.717.7-132.3-72.3000112.7
546S31.7Very low31.1Very low83 Ų83144 Ų14458%0.5876%0.758SS**  trans36.9140.7146.556.60000122.8
547D30.3Very low30.7Very low157 Ų157144.6 Ų144.684%0.8476%0.762SS**  cis-166.2161.7-10-108.7-45.1000111.7
548N25.7Very low30.6Very low150 Ų150149.5 Ų149.580%0.80276%0.764SS**  trans-87.2159.5162.8-103.9-81.6000110.4
549L33.4Very low30Very low142 Ų142149 Ų14974%0.74376%0.759SS**  trans172.2123.1138-92.9163.4000112.7
550Q31.6Very low29.9Very low139 Ų139148.9 Ų148.965%0.6576%0.758SS**  42.9152.4129-61.1-171.248.100122.2
551K33.5Very low29.8Very low174 Ų174150.4 Ų150.476%0.75776%0.761SS**  cis-163.9163.6-15.3-112.5174.1-165.5155.20108.8
552S26Very low30.1Very low118 Ų118146.2 Ų146.283%0.82576%0.756SS**  trans-54.6128175.8175.30000115.7
553V32.5Very low29.9Very low141 Ų141148.4 Ų148.486%0.85576%0.762SS**  trans-142.6151145177.40000110.3
554R28.4Very low29.9Very low221 Ų221144.8 Ų144.883%0.83476%0.755SS**  trans-57.1158.4-176.9-71.5175.8161.6110.9-6.6118.1
555L30.2Very low30.2Very low153 Ų153147 Ų14780%0.80177%0.766SS**  trans84.3141.8142.5-79.6158.8000121.3
556R30.4Very low30.3Very low228 Ų228142.7 Ų142.786%0.8677%0.767SS**  trans49.8100.7158.6-78.4-177.1170.5155.8-4.8119.9
557N25.8Very low30.2Very low140 Ų140142.1 Ų142.175%0.74978%0.775SS**  38.8105.2112-157.433.3000119
558R26.5Very low30.3Very low210 Ų210140.5 Ų140.579%0.79278%0.776SS**  trans68.4114.9137.2-96.7-175.4164.6172.1-4.2122
559T27.5Very low30.6Very low103 Ų103137.5 Ų137.563%0.63277%0.767SS**  49.4124.112458.40000121.8
560T30.4Very low30.5Very low126 Ų126137.9 Ų137.977%0.77377%0.768SS**  trans-162.1158.3138.6500000109
561H26.9Very low30.5Very low159 Ų159138.9 Ų138.974%0.73677%0.772SS**  cis-168.6142.5-38.4-96.6-37.7000109.2
562S31.8Very low30.3Very low105 Ų105135.6 Ų135.673%0.73476%0.763SS**  trans-177.9137.1151.8-78.30000107.6
563N32.4Very low30.5Very low146 Ų146136.1 Ų136.178%0.78176%0.756SS**  cis-166.1158.3-16.6-101.9-16.9000106.7
564S32.4Very low30.3Very low93 Ų93136.8 Ų136.865%0.6576%0.755SS**  cis-171.5165-10.245.70000109.9
565S35.9Very low30.6Very low129 Ų129130.8 Ų130.890%0.90275%0.747SS**  trans72.8147.7174.378.60000117.3
566G32.5Very low30.5Very low79 Ų79131.1 Ų131.181%0.81475%0.75SS**  cis177.5150.9-9.700000114.5
567G30.5Very low30.6Very low72 Ų72126.9 Ų126.974%0.74274%0.744SS**  trans95.5125.9-179.500000113
568S32.7Very low30.9Very low122 Ų122128.5 Ų128.585%0.85374%0.744SS**  cis85.9138.244.1-68.40000113.9
569S31.5Very low31.3Very low88 Ų88123.4 Ų123.462%0.61574%0.741SS**  cis-178.3150.6-13.152.20000110.8
570I31.3Very low31.6Very low149 Ų149127.1 Ų127.176%0.76475%0.751SS**  trans66121.2157.3-60.4153.3000114.3
571H32.2Very low31.7Very low160 Ų160129.9 Ų129.974%0.74175%0.753SS**  -175.1159.575.7-145.534.2000108.1
572N28.7Very low31.9Very low106 Ų106129.1 Ų129.157%0.56775%0.754SS**  cis-141.1-126.9-4.9-163.9-2000111.2
573N29.1Very low32Very low129 Ų129135.8 Ų135.869%0.6976%0.763SS**  trans-157.5151-165.9-71.4-84.9000111.3
574N29.8Very low31.9Very low155 Ų155135 Ų13583%0.82976%0.763SS**  -179147.9123.1-104.4-11.6000112.1
575S33.9Very low32Very low95 Ų95138.3 Ų138.366%0.66477%0.768SS**  -166.3138.1-50.540.10000109.1
576N28.7Very low31.7Very low159 Ų159139.7 Ų139.785%0.8576%0.76SS**  trans-79152.9-178.8-71.2-31.7000113.2
577N32.8Very low31.5Very low139 Ų139147.5 Ų147.574%0.74377%0.765SS**  trans-129.1130.9147.9-84.3-57.7000108
578K31.2Very low31.8Very low174 Ų174149.1 Ų149.176%0.75776%0.762SS**  cis-159.9165.6-9.9-139.6169.1-167.4158.70110.8
579S35.5Very low31.4Very low103 Ų103148.3 Ų148.372%0.7276%0.757SS**  trans62.4108.8164.849.10000121.6
580Q33.2Very low31.4Very low181 Ų181153.5 Ų153.585%0.84677%0.771SS**  trans81.8108.9133.6-64.4-173.5-10.500123
581F33Very low31.3Very low185 Ų185152.8 Ų152.881%0.81177%0.767SS**  trans61.4116.5136-83.2-77.2000123.8
582D31.5Very low31.2Very low142 Ų142154.6 Ų154.676%0.75978%0.776SS**  trans-0.5124.5148.3-65-45.9000120
583R32.8Very low31.1Very low246 Ų246156 Ų15693%0.92878%0.782SS**  -165.815297.2-111.5175.5172.7165.1-2.3115.9
584V30.4Very low31.2Very low128 Ų128158.6 Ų158.678%0.77679%0.787SS**  trans-65.8137.9172.51740000112.1
585H34.1Very low31.2Very low164 Ų164157.2 Ų157.276%0.75978%0.78SS**  trans-160.6144.8140.2-107.8-69.6000116.3
586H30.4Very low31Very low158 Ų158157 Ų15773%0.73178%0.778SS**  trans6.3131.7158.8-64.2-25.1000125.7
587R28.1Very low31Very low242 Ų242155.9 Ų155.991%0.91377%0.768SS**  trans66.4169131.7-93-160.8157.4177.2-6.7119.2
588P36.1Very low30.8Very low106 Ų106158.7 Ų158.769%0.68877%0.77SS**  trans-111.2-167.8-153.144.9-39000114.4
589S25.4Very low30.8Very low106 Ų106155.3 Ų155.374%0.74177%0.768SS**  trans73.6107.1174.466.70000115.8
590H30.8Very low30.5Very low196 Ų196155 Ų15591%0.90777%0.765SS**  trans-132.2141.5138.6-113.6-89000108.3
591I29.6Very low30.2Very low134 Ų134153.9 Ų153.969%0.68777%0.765SS**  trans-101.4131.2173.8-69.4167.8000106.5I593I591-I593 HydrophobicContact CG2-CD1 3.81Å; I591-I593 HydrophobicContact CG2-CG1 3.69Å
592E30.3Very low30.2Very low198 Ų198150.3 Ų150.393%0.92576%0.763SS**  trans-100.2126.4157.2-78.4-168.4129.700109.1
593I27.3Very low30.1Very low135 Ų135150.5 Ų150.569%0.69276%0.762SS**  trans-123.8118.5165.9-70.4161.5000106.7I591I591-I593 HydrophobicContact CG2-CD1 3.81Å; I591-I593 HydrophobicContact CG2-CG1 3.69Å
594K30.7Very low30Very low185 Ų185147.2 Ų147.280%0.80476%0.757SS**  trans-171.2118.7142.5-99.8150.2-175.7-1780106.8
595D29.6Very low30.1Very low125 Ų125145.2 Ų145.267%0.66875%0.754SS**  63.195.584.8-68.4-52.3000110.9
596S28.4Very low29.7Very low91 Ų91144.6 Ų144.664%0.63676%0.756SS**  96.9150.955.370.50000112.6
597Q29.5Very low29.9Very low135 Ų135142.5 Ų142.563%0.63176%0.756SS**  trans118113.1151.9-59.3-159.73.700118.7
598Y29.2Very low29.9Very low198 Ų198135.3 Ų135.378%0.77674%0.743SS**  trans72.6158.3132.6-61.8-168.5000115.8
599S30.8Very low30Very low103 Ų103136.2 Ų136.272%0.7275%0.749SS**  cis-170.5162.5-14.8-99.50000107.9
600S29.4Very low30.1Very low96 Ų96136.9 Ų136.967%0.67175%0.753SS**  cis-171.8-153.3-11.557.60000108.6
601L27.3Very low30.2Very low158 Ų158132.8 Ų132.883%0.82775%0.746SS**  trans65.4100.8159.9-74.1161.9000120.3
602S31.4Very low30.1Very low110 Ų110130.5 Ų130.577%0.76975%0.748SS**  -166116.2127.6-85.80000114.5
603I30.6Very low30.2Very low146 Ų146130.1 Ų130.175%0.74974%0.743SS**  trans41.298.1141.8-29177.6000117.4
604H31.5Very low30.4Very low177 Ų177129 Ų12982%0.81974%0.743SS**  -173.2144.988-114.6-77.2000114.7
605A31Very low30.4Very low87 Ų87125.5 Ų125.572%0.71974%0.739SS**  trans46.3104.9144.800000123
606L25.8Very low30.5Very low151 Ų151125.8 Ų125.879%0.79175%0.745SS**  -65.5159.5128.4-85.2159.3000109.6
607P34.7Very low30.5Very low114 Ų114132.2 Ų132.274%0.7476%0.756SS**  cis-128.4179.843.445-29.5000112.9
608S28.6Very low30.5Very low90 Ų90129.9 Ų129.963%0.62976%0.76SS**  cis70.5151.129.3-43.60000115.1
609P38.8Very low30.6Very low126 Ų126125.3 Ų125.382%0.81876%0.757SS**  cis-129.3-168.1-20.241.4-24.9000113.3
610S25.8Very low30.8Very low119 Ų119129.7 Ų129.783%0.83276%0.763SS**  trans-64.4148.5174.4-34.60000116.4
611S33.1Very low30.8Very low110 Ų110128.2 Ų128.277%0.76976%0.763SS**  trans-163.8128.7144.5590000110.2
612A28.4Very low30.8Very low86 Ų86125.5 Ų125.571%0.71176%0.757SS**  46126.8105.600000115
613F32.2Very low30.8Very low190 Ų190129.8 Ų129.883%0.83376%0.762SS**  -124.6133.851.5-97.3-105.1000117.3
614T31.7Very low31.3Very low111 Ų111128.3 Ų128.368%0.68176%0.762SS**  trans26.1109.3142.658.80000121.7
615P31.1Very low31.2Very low113 Ų113128 Ų12873%0.73476%0.763SS**  trans-82.9-169130.238-33.8000110.6
616T32.2Very low31.1Very low130 Ų130131.1 Ų131.180%0.79877%0.768SS**  trans98.9141.6164.4-48.60000115.6
617R28.4Very low31.5Very low226 Ų226129.9 Ų129.985%0.85377%0.766SS**  cis179.9160.2-24.6-177.1175.5174.1-171.7-1.3108.1
618A27.9Very low31.3Very low87 Ų87132.1 Ų132.172%0.71977%0.772SS**  trans70.9156.516700000114.8
619S31.8Very low31.4Very low101 Ų101132.8 Ų132.871%0.70678%0.776SS**  cis-127.4170.114.6-98.90000115.2
620F34.1Very low31Very low196 Ų196132 Ų13286%0.8677%0.774SS**  trans-35.5155.3172.2-44.6-90.1000115.8
621G30.3Very low31.3Very low65 Ų65134.3 Ų134.367%0.6777%0.772SS**  cis115.584.57.300000112.9
622S28Very low31.2Very low100 Ų100137.7 Ų137.770%0.69977%0.773SS**  trans56.1129.9160.8-54.90000119.8
623F30.8Very low31.3Very low201 Ų201137.3 Ų137.388%0.88277%0.765SS**  178150.697.2-83.7-62.4000110.3
624P40.7Very low31.4Very low114 Ų114136.6 Ų136.674%0.7477%0.769SS**  trans-85.8147170.834.6-32.2000112.2
625M29.7Very low31.3Very low171 Ų171135.8 Ų135.884%0.84277%0.768SS**  trans11.5124.3156.9-59.2-69.9-76.700118.8
626D29.5Very low31.9Very low153 Ų153135.5 Ų135.582%0.81877%0.766SS**  -166.2168.4110.6-122.6-30.6000115
627V33.8Very low31.9Very low124 Ų124134.6 Ų134.675%0.75276%0.761SS**  trans68.5115.9169.4-158.20000119.6
628N29.6Very low32.1Very low162 Ų162129 Ų12987%0.86675%0.751SS**  trans-94.3130.9162.8-92.2-33.9000111.7
629S31.4Very low32.1Very low103 Ų103133 Ų13372%0.7276%0.755SS**  trans170.6116.3140.232.40000108.8
630S30.6Very low32.1Very low109 Ų109133 Ų13376%0.76276%0.755SS**  cis86.98746.376.90000114.4
631E32.4Very low31.8Very low169 Ų169131 Ų13179%0.7975%0.752SS**  trans-148.6133.3151.8-81-141.7123.500112.4
632F30.5Very low31.7Very low180 Ų180132.5 Ų132.579%0.78975%0.752SS**  trans22.2154.2145.9-60.1-85.3000124.1
633S30Very low31.8Very low79 Ų79132.8 Ų132.855%0.55275%0.754SS**  cis179.5128.7-31.452.90000111.3
634L35.1Very low32Very low175 Ų175128 Ų12892%0.91675%0.746SS**  trans-157.286.7147.1-78.4-172.4000105.8
635S30.1Very low31.6Very low94 Ų94129.5 Ų129.566%0.65775%0.746SS**  71.7145.565.5-53.70000112.6
636P42.8Very low31.5Very low107 Ų107129 Ų12970%0.69574%0.742SS**  cis-138.4177.121.940.6-21.3000117.5
637T32.9Very low31.6Very low111 Ų111128.2 Ų128.268%0.68174%0.736SS**  trans49.7113.814551.60000120
638T32.3Very low31.6Very low108 Ų108128.2 Ų128.266%0.66374%0.736SS**  72.215466.366.80000115.2
639E28.8Very low31.5Very low172 Ų172126 Ų12680%0.80473%0.729SS**  trans54.3116.3154.1-74161.6-141.600117.4
640S30.5Very low31.5Very low100 Ų100132.2 Ų132.270%0.69974%0.737SS**  178.1158.655.7-1060000114
641I28.3Very low31.4Very low153 Ų153133 Ų13379%0.78574%0.737SS**  trans-18151.7148.20.2174000118.2
642S28.7Very low31.9Very low97 Ų97130.2 Ų130.268%0.67873%0.733SS**  trans80.198.3147.5-59.10000120.5
643S28.9Very low32.2Very low107 Ų107126.7 Ų126.775%0.74873%0.731SS**  70.6136.9125.4670000122.4
644S35.1Very low32.6Very low101 Ų101128.7 Ų128.771%0.70675%0.745SS**  trans92.5119.1140.376.50000120.6
645I32.4Very low32.6Very low145 Ų145123.4 Ų123.474%0.74473%0.733SS**  trans77.388.2136.9-61.3168.3000118.2
646Q28.1Very low32.8Very low160 Ų160128 Ų12875%0.74874%0.742SS**  68.4147.1109.6-109.5178.3100122.1
647I30.5Very low32.6Very low137 Ų137130.7 Ų130.770%0.70375%0.745SS**  trans74.9131.4156-59.9155.9000113.9
648T34.6Very low32.5Very low123 Ų123134 Ų13476%0.75575%0.752SS**  cis-140.216617.5-21.80000113.1
649T27.3Very low32.5Very low116 Ų116132.9 Ų132.971%0.71275%0.754SS**  trans-48.1162.7161.758.60000114.2
650R31Very low32.6Very low234 Ų234130.2 Ų130.288%0.88376%0.755SS**  -171.415658.9-137.8170.3-167.6170.43.1114.4
651T29.2Very low32.9Very low126 Ų126134.5 Ų134.577%0.77376%0.761SS**  trans-74.5177.3165.538.70000111.9
652P43.4Very low33.3Very low109 Ų109136.5 Ų136.571%0.70876%0.764SS**  cis-154.3-168.730.145.5-23.1000120
653S35.4Very low33.6Very low107 Ų107134.9 Ų134.975%0.74876%0.763SS**  trans70.6154.1149.866.60000120.1
654S38.8Very low34Very low120 Ų120137.1 Ų137.184%0.83977%0.766SS**  cis-171.4174.2-21.855.40000107.9
655G35.9Very low34Very low65 Ų65136.5 Ų136.567%0.6776%0.762SS**  cis-121.9-131.2-4.600000111.1
656F34.3Very low34.3Very low190 Ų190137.9 Ų137.983%0.83377%0.765SS**  cis-140.3167.6-0.6-120.4-90.2000110.5
657H37.6Very low34.7Very low164 Ų164134.1 Ų134.176%0.75976%0.761SS**  trans-48.9166.8-175.9-59.4-57.9000117.3
658E32.2Very low34.8Very low179 Ų179133.5 Ų133.584%0.83677%0.769SS**  cis-151.9155.126.7-164.8164.1-144.800114.8
659A30.9Very low35Very low85 Ų85132.2 Ų132.270%0.70277%0.765SS**  trans-149.5151.8167.600000109.8
660S31.5Very low35.3Very low117 Ų117134.3 Ų134.382%0.81877%0.771SS**  trans-150.9143.1170.2-82.20000111.1
661F36.8Very low35.9Very low189 Ų189128.6 Ų128.683%0.82976%0.764SS**  trans-118.7-178.3-166.4-107-102000112
662F37.5Very low36.1Very low195 Ų195129.8 Ų129.886%0.85577%0.766SS**  trans118.3123.5152.2-70.2-74000115.5
663G33.7Very low35.5Very low63 Ų63130.9 Ų130.965%0.64977%0.774SS**  cis164175.5-11.500000115.4
664L38Very low35.5Very low154 Ų154131 Ų13181%0.80678%0.776SS**  trans73.3140.8163.8-46.1-179.4000117
665S34.8Very low35.3Very low89 Ų89135.4 Ų135.462%0.62277%0.774SS**  cis94143.518.3-58.20000114.9
666E37.6Very low35.1Very low174 Ų174141.4 Ų141.481%0.81378%0.782SS**  cis-173.4170-8.5-104.8153.2-123.900107.3
667A37.2Very low34.9Very low81 Ų81135.5 Ų135.567%0.66978%0.775SS**  cis-173.9177-28.600000110.8
668S32.6Very low34.8Very low123 Ų123134.5 Ų134.586%0.8678%0.779SS**  trans73.3163.6165.4-46.40000117.2
669S38.7Very low34.7Very low97 Ų97131 Ų13168%0.67878%0.775SS**  cis-160.2165.610.970.80000114.8
670L34.9Very low34.8Very low159 Ų159132.1 Ų132.183%0.83278%0.777SS**  trans72.8139.1154.4-66171.4000123.9
671P43.6Very low34.9Very low114 Ų114133.6 Ų133.674%0.7478%0.776SS**  trans-142.2-175.7132.741.7-28000116
672D32.3Very low34.8Very low152 Ų152130.3 Ų130.381%0.81378%0.777SS**  trans79.2129162.6-74.3-10.3000124.1
673C31.6Very low34.5Very low131 Ų131124.5 Ų124.589%0.88577%0.772SS**  trans-169.5170.7140-101.10000112.5
674S34.6Very low34.9Very low111 Ų111127.6 Ų127.678%0.77678%0.781SS**  trans-145.9-174.3-158.4-41.60000116.9
675R34.2Very low34.7Very low212 Ų212125.7 Ų125.780%0.878%0.78SS**  trans85.5155.9176.3-59.7179165.3-176.3-3.8115.6
676F32.9Very low34.6Very low191 Ų191126 Ų12684%0.83878%0.783SS**  cis-114.6-157.45.3-69.8-96000110.7
677G30.7Very low34.3Very low66 Ų66123.9 Ų123.968%0.6878%0.777SS**  cis-168.1-161.3700000111.8
678V34.3Very low34.2Very low142 Ų142126.7 Ų126.786%0.86178%0.776SS**  trans-145138.9-172.3-141.90000115.7
679S30.1Very low34.3Very low107 Ų107128.1 Ų128.175%0.74877%0.768SS**  trans63.3135.6153.5-70.40000124.6
680S33.2Very low34Very low107 Ų107130.1 Ų130.175%0.74878%0.781SS**  trans98.9132.9143.1-65.80000122.6
681D33.6Very low33.9Very low148 Ų148127.3 Ų127.379%0.79177%0.767SS**  trans73.3119.4151.4-63.3-38.7000124.9
682S35Very low33.3Very low120 Ų120128.4 Ų128.484%0.83978%0.775SS**  trans81.2144.7139.979.60000121.8
683G32Very low33.4Very low74 Ų74125.4 Ų125.476%0.76376%0.76SS**  trans95.6115.8148.400000117.7
684P41.6Very low33.3Very low128 Ų128125.9 Ų125.983%0.83176%0.763SS**  trans-107.1141.417737.1-30.1000114.2
685S32.4Very low33.2Very low114 Ų114128.2 Ų128.280%0.79776%0.761SS**  trans-164.7165.2139.254.40000112.3
686S34.4Very low33.3Very low96 Ų96125.6 Ų125.667%0.67176%0.758SS**  trans-22.3147.3165.1420000117.4
687N31.3Very low33.3Very low129 Ų129127 Ų12769%0.6976%0.757SS**  cis-158166.729.4-123.9-5.8000115.2
688H35.1Very low33.4Very low140 Ų140133.6 Ų133.665%0.64876%0.762SS**  trans10.4155.2145.4-63.2-15.2000122.6
689H35Very low33.4Very low152 Ų152135.3 Ų135.370%0.70476%0.761SS**  cis-151.8146.513.1-114.9-48.7000111.8
690C31.8Very low33.5Very low139 Ų139136.2 Ų136.294%0.93975%0.753SS**  trans-159.5100.4142.9-143.90000108.8
691N31.9Very low33.4Very low100 Ų100139.4 Ų139.454%0.53576%0.756SS.*  trans-152113.3-172.5-176.828.7000113.4
692C32.3Very low33.2Very low137 Ų137140.6 Ų140.693%0.92675%0.75SS**  trans-131.696.4165.2-57.10000106.3
693N33.8Very low32.9Very low90 Ų90142.1 Ų142.148%0.48174%0.744SS.*  cis74.296.826.5-150.220.4000114.3
694C28.6Very low32.9Very low140 Ų140143.2 Ų143.295%0.94673%0.729SS**  trans-117.686.5152.9-72.40000107.8
695H32.2Very low32.6Very low161 Ų161141.6 Ų141.675%0.74571%0.71SS**  trans-91.2-176.1165-113.4-43.9000109.7
696Q36.7Very low32.8Very low157 Ų157143.4 Ų143.473%0.73471%0.705SS**  trans90.4144.8167.3-55.8-162.414.100118.6
697R34.4Very low32.8Very low219 Ų219148.9 Ų148.983%0.82671%0.711SS**  cis-159.9158.1-33.5-123.4171.8-170-170.55.6111.5
698R31.8Very low32.9Very low205 Ų205153.1 Ų153.177%0.77472%0.718SS**  trans-53.2158.3170-51.8162.8166.6-172.1-5114.3
699Q34.3Very low33Very low179 Ų179151.9 Ų151.984%0.83672%0.716SS**  -140.1118.5109.4-63.5-155.833.300107.7
700Q31.5Very low33Very low126 Ų126152.7 Ų152.759%0.58972%0.72SS**  67.1112.181.4-66.3-144.681.400115.7
701H31.9Very low32.9Very low174 Ų174152 Ų15281%0.80671%0.711SS**  -170179.4117.7-101.6-68.4000112.2
702Y29.3Very low32.9Very low173 Ų173153.8 Ų153.868%0.67872%0.721SS**  trans-94.5159.7-146-99.5-120.2000118.2
703H29.1Very low33Very low152 Ų152154.3 Ų154.370%0.70471%0.713SS**  trans69.4156159.1-70.9-34000116.9
704H32.5Very low32.9Very low97 Ų97153.7 Ų153.745%0.44972%0.716SS.*  cis-163136.528.8-143.611.5000111.7L327 L328L327-H704 VanDerWaalsContact CD2-CD2 3.42Å; L327-H704 WeakPolarHBondContact CD2-CD2 3.35Å; L328-H704 HydrophobicContact CD2-CB 3.52Å; L328-H704 VanDerWaalsContact CD2-O 3.3Å; L328-H704 WeakPolarHBondContact CD2-O 3.49Å
705H34.3Very low33.1Very low94 Ų94154.1 Ų154.144%0.43571%0.708SS.*  trans52.7154.1169.3-61.7-117.8000120.6L328L328-H705 HydrophobicContact CD1-CB 3.73Å; L328-H705 VanDerWaalsContact CD1-CG 3.49Å; L328-H705 HydrophobicContact CD2-CB 3.71Å; L328-H705 HydrophobicContact CG-CB 4.28Å
706H36.8Very low33.3Very low151 Ų151152.2 Ų152.270%0.69970%0.703SS**  cis-156.5163.6-4.6-127-9.6000113.4
707R33.4Very low32.9Very low211 Ų211150.9 Ų150.980%0.79670%0.701SS**  trans62.2115.8165.9-70.2-178.3175-178.1-2.7116.3
708R34.6Very low33Very low218 Ų218149.8 Ų149.882%0.82370%0.702SS**  71.4129.573.6-73.7-173.4-175.6166.60.7111.9
709N36.7Very low33.2Very low115 Ų115144.9 Ų144.962%0.61570%0.699SS**  cis-143.1140.217.2-111.85000114.8
710Q35Very low33.4Very low169 Ų169143 Ų14379%0.7969%0.694SS**  trans47.6116.8131.3-64.6170.4-37.200121.5
711T30.5Very low33.6Very low123 Ų123143.5 Ų143.576%0.75570%0.701SS**  trans-68.8150153.148.90000112.5
712N30.9Very low33.7Very low138 Ų138144.1 Ų144.174%0.73870%0.704SS**  trans174.8151.3131.5-101.5-10.4000113.6
713I34.7Very low34Very low148 Ų148142 Ų14276%0.75971%0.714SS**  trans63.4143.2141.3-67.8169000117.2
714S32.1Very low34.2Very low77 Ų77138 Ų13854%0.53872%0.715SS.*  cis175.7164.4-23.363.40000106.6
715I33.1Very low34.2Very low150 Ų150141 Ų14177%0.76973%0.734SS**  trans68.2142.8150.3-73.4166.9000114.6
716D35.2Very low34Very low121 Ų121144.3 Ų144.365%0.64775%0.752SS**  cis-152.3172.3-3.3-135.923.4000113.7
717N28.1Very low33.8Very low129 Ų129142.5 Ų142.569%0.6976%0.756SS**  trans-5.2124.7148.2-65.3-61.8000119.2
718K36.9Very low33.9Very low195 Ų195137.3 Ų137.385%0.84875%0.752SS**  -170.9132.6115.5-107.5163.4-174.2172.80114.2
719S36.8Very low34Very low102 Ų102135.7 Ų135.771%0.71375%0.751SS**  trans40.8140.1142.363.40000120.7
720L38.1Very low33.8Very low141 Ų141136.7 Ų136.774%0.73876%0.755SS**  cis-163.714928.6-160.770.1000111.1
721N35.6Very low33.8Very low135 Ų135133.6 Ų133.672%0.72275%0.749SS**  trans43.1124.7162.8-57.9-8000119.3
722Q33.8Very low33.8Very low187 Ų187134.3 Ų134.387%0.87475%0.748SS**  cis60.681.842.9-62-163-2.300116.7
723S35Very low34Very low128 Ų128135.1 Ų135.190%0.89575%0.751SS**  trans-179.7162.2136.646.80000108.3
724G34Very low34.1Very low70 Ų70136.4 Ų136.472%0.72275%0.754SS**  cis159.386-6.500000112.3
725N31.8Very low34.7Very low158 Ų158137.4 Ų137.485%0.84576%0.758SS**  trans67.3145.1172-89.2-20.9000120.3
726M30.7Very low34.6Very low164 Ų164135 Ų13581%0.80875%0.754SS**  trans56.696.4146-68.6-71.2120.100121.1
727S33.2Very low34.7Very low114 Ų114137.6 Ų137.680%0.79776%0.76SS**  trans79.6140.2137.2-155.80000121.2
728S35.6Very low35Very low101 Ų101139.7 Ų139.771%0.70676%0.763SS**  trans82.3127.7162.282.20000120.4
729K36.3Very low34.9Very low185 Ų185137.1 Ų137.180%0.80476%0.757SS**  trans76.2127.8141.2-80.3-175.8172.7-176.30122.9
730L33.1Very low35.1Very low135 Ų135140 Ų14071%0.70776%0.759SS**  trans84.8102.2130.7-70.8173.1000121.6
731T33.7Very low35.1Very low105 Ų105139.8 Ų139.864%0.64476%0.759SS**  57.7139.5118.154.90000123.9
732D31.6Very low35.4Very low137 Ų137139 Ų13973%0.73376%0.764SS**  105.3134127.5-82.73.1000123.9
733L34.7Very low35.4Very low156 Ų156138.5 Ų138.582%0.81776%0.762SS**  trans83.1116.3145-67162.2000124.1
734E36.5Very low35.7Very low175 Ų175138.3 Ų138.382%0.81876%0.758SS**  trans-28-176.7132.3-111.3-176.7177.900118.3
735P44.1Very low35.6Very low97 Ų97141.4 Ų141.463%0.6376%0.758SS**  cis-144.6-172.2-4.635.3-11.7000118
736C32.1Very low36.1Very low99 Ų99142.2 Ų142.267%0.66976%0.76SS**  trans60.7132141.3-79.30000124.9
737F37.2Very low36.2Very low177 Ų177141.4 Ų141.478%0.77676%0.759SS**  170.9134.795.7-92.8-59.5000117.1
738K33.4Very low36.7Very low173 Ų173142.1 Ų142.175%0.75275%0.754SS**  trans49.2160.4138.9-75.8174173.9-168.40124
739L36.8Very low36.8Very low140 Ų140142.9 Ų142.973%0.73375%0.75SS**  cis-175-171.5-39.9-123.7174.6000110.3
740E40.8Very low36.9Very low162 Ų162142.1 Ų142.176%0.75775%0.749SS**  trans78.9143.2164.8-65164.3-150.400118.6
741D37.1Very low37Very low138 Ų138143.6 Ų143.674%0.73875%0.753SS**  cis-169.5171.7-17.7-111-0.8000115.8
742S41.8Very low37.2Very low118 Ų118142.6 Ų142.683%0.82575%0.75SS**  trans96.8139.9152.3-60.80000125.1
743E33.2Very low37.3Very low176 Ų176146.4 Ų146.482%0.82275%0.754SS**  trans-121.2171.7173.1-55.4-177.2123.400112.6
744P42.9Very low37Very low125 Ų125145.4 Ų145.481%0.81275%0.749SS**  -149.4174.992.135.7-15.9000114.9
745N30.6Very low36.9Very low134 Ų134142.2 Ų142.272%0.71774%0.742SS**  cis105.2109.65.5-165.30.9000118
746I43.2Very low36.3Very low176 Ų176142.7 Ų142.790%0.90375%0.748SS**  trans-163.2153.7160.6-98.9155.7000109.7
747N31.7Very low36.3Very low146 Ų146142.7 Ų142.778%0.78175%0.749SS**  trans-152.2155.2-159.6170.158000114.1
748D44.1Very low35.9Very low130 Ų130139.1 Ų139.170%0.69575%0.746SS**  trans-157.4142168.2-136.6-18.4000117.1
749N38.9Very low35.7Very low117 Ų117135.5 Ų135.563%0.62674%0.742SS**  trans29.2118.7164.3-75-58.7000122.5
750H37.5Very low35.2Very low168 Ų168133.6 Ų133.678%0.77874%0.741SS**  73.9132.470.8-75.5-13.1000114.7
751Q36.2Very low34.6Very low167 Ų167130.8 Ų130.878%0.7874%0.739SS**  cis-150.6171.610.9-98.8174.432.100108.1
752S37.2Very low34.3Very low84 Ų84128.7 Ų128.759%0.58774%0.735SS**  cis-169.4178.4-19.461.20000106.3
753R32.6Very low33.6Very low216 Ų216130.1 Ų130.182%0.81573%0.733SS**SBendcis-166129.917-134.5150.3-175.5-173.33.4103.3
754N30.3Very low33.6Very low135 Ų135126.4 Ų126.472%0.72273%0.727SS**SBendcis-142.315810.9-80.4-30.2000107.4
755T33.9Very low33.1Very low109 Ų109127.4 Ų127.467%0.66973%0.726SS**  cis-165.9146.2-6.818.30000106.9
756S31.2Very low33.3Very low107 Ų107126.4 Ų126.475%0.74873%0.729SS**  trans49.2151.5133.9-48.50000121.4
757S31Very low32.6Very low98 Ų98123.5 Ų123.569%0.68572%0.724SS**  cis-174.5157.8-16.247.20000108.9
758S29.1Very low32.6Very low102 Ų102121.5 Ų121.571%0.71372%0.722SS**  trans21.9136.6138.1-38.90000122
759S29Very low31.9Very low98 Ų98125.6 Ų125.669%0.68573%0.729SS**  57.3133.9128.966.70000122.4
760S26.9Very low31.4Very low99 Ų99124.8 Ų124.869%0.69273%0.731SS**  trans67.7133.2137.861.80000121.7
761S29.4Very low31Very low104 Ų104121.4 Ų121.473%0.72773%0.726SS**  trans77.4133.6144.168.80000121.3
762S29.6Very low30.6Very low94 Ų94118.1 Ų118.166%0.65772%0.721SS**  trans70.3113.2150.728.40000121.7
763N28.2Very low30.1Very low147 Ų147124.5 Ų124.579%0.78673%0.734SS**  92.6120.7123.7-622000121.8
764S32.8Very low30.1Very low98 Ų98118.5 Ų118.569%0.68573%0.725SS**  trans67.6114.5137.755.80000121.4
765D31.2Very low30.2Very low147 Ų147119.9 Ų119.979%0.78673%0.731SS**  76.5116.7127.5-54.3-22.2000122.5
766S34.8Very low30.6Very low112 Ų112119.5 Ų119.578%0.78373%0.731SS**  trans58.398132.7-58.40000120.4
767S29.3Very low30.6Very low116 Ų116119.5 Ų119.581%0.81173%0.731SS**  trans178169.5130.448.90000114.7
768S32Very low30.6Very low103 Ų103121.1 Ų121.172%0.7274%0.736SS**  trans109.3101.1147.475.20000122.9
769Y29.3Very low30.7Very low216 Ų216126.1 Ų126.185%0.84775%0.745SS**  63101.2126.3-70-79.9000125.7
770C28.7Very low30.8Very low100 Ų100127 Ų12768%0.67675%0.749SS**  70.9119.2111.4-67.30000127.1
771C27.8Very low31Very low98 Ų98130.1 Ų130.166%0.66276%0.755SS**  80109.6119.2-61.50000126.3
772S27.8Very low31.1Very low97 Ų97132.3 Ų132.368%0.67876%0.758SS**  83.3110.3114.3-54.90000127.1
773Y28.1Very low31.1Very low219 Ų219138 Ų13886%0.85977%0.765SS**  trans68.8164.1139.9-78-115.6000123
774S31.4Very low31.3Very low89 Ų89134.9 Ų134.962%0.62275%0.754SS**  cis177.3142.2-44.3-89.40000115.3
775L33.6Very low31.3Very low165 Ų165134.2 Ų134.286%0.86475%0.749SS**  trans63.9168152.1-72.7169.8000121.4
776P40.9Very low31.5Very low101 Ų101131.7 Ų131.766%0.65674%0.742SS**  cis-142.6169.2-22.637-17.3000119.2
777S32.4Very low31.5Very low107 Ų107134.7 Ų134.775%0.74874%0.744SS**  trans64.3175.414664.90000121.5
778V30.7Very low32.2Very low132 Ų132134.2 Ų134.280%0.874%0.738SS**  cis-153.9168.8-1.5-1290000111.6
779K30.4Very low32.1Very low207 Ų207135.3 Ų135.390%0.974%0.736SS**  trans-161.8158.5157.2-129.8173.4-175.3177.70117.2
780C31.2Very low32.3Very low115 Ų115131.5 Ų131.578%0.77773%0.73SS**  trans-147.4-167.7-168.5-60.40000114.9
781M30.7Very low32.8Very low166 Ų166133.5 Ų133.582%0.81873%0.734SS**  trans100.9155.4161-63.5-177.966.900119.1
782L31.6Very low33Very low149 Ų149134.3 Ų134.378%0.7874%0.736SS**  cis-178.7-178.9-39.5-121.6175.3000111.7
783R29.9Very low33.5Very low213 Ų213137.4 Ų137.480%0.80474%0.743SS**  trans84.7170.3152.1-87.7177.5167.2-154.6-4.4121.4
784C33.1Very low33.7Very low82 Ų82136.5 Ų136.555%0.55474%0.74SS**  cis-135.1-146.91.5-138.80000112.2
785C33.2Very low33.7Very low85 Ų85138.5 Ų138.557%0.57474%0.744SS**  cis-114.2-117.73-63.40000111.6
786S34.5Very low33.7Very low93 Ų93137.7 Ų137.765%0.6574%0.739SS**  cis-170.8169.8-29.1-108.50000107.6
787Q34.8Very low33.4Very low176 Ų176138.6 Ų138.682%0.82274%0.738SS**  cis-161.5166-18.8-113.9166.5-82.100110.1
788P43.9Very low33.5Very low106 Ų106142 Ų14269%0.68874%0.736SS**  trans-146.5-164.8-160.544.8-24.7000119.2
789N29.9Very low33.5Very low126 Ų126143.5 Ų143.567%0.67473%0.727SS**  trans107.1147.7135.2-95.539.3000126.2
790D34.9Very low33.8Very low135 Ų135141 Ų14172%0.72272%0.718SS**  trans58.8164.3150.3-51.4-29.8000121.3
791D38.6Very low33.8Very low142 Ų142140.5 Ų140.576%0.75972%0.716SS**  cis-140.7-130.86.6-160-42000112.6
792T31.6Very low34.2Very low115 Ų115137.2 Ų137.271%0.70671%0.707SS**  trans-141.7153.4-163.854.80000115
793I37.4Very low34.3Very low162 Ų162138 Ų13883%0.83171%0.706SS**  trans177.8161.9146.5-97158.2000111.7
794Y32.3Very low34.3Very low201 Ų201133 Ų13379%0.78870%0.703SS**  trans-44.5157.6176.1-68.9-102.9000116
795D31.5Very low34.2Very low131 Ų131133.8 Ų133.870%0.70171%0.709SS**  cis-149.3173.312.8-142.9-30.6000113.2
796I33.3Very low34.3Very low148 Ų148141.5 Ų141.576%0.75973%0.726SS**SBendtrans69.6109.3-178.7-50.8176.8000113.5
797N34.8Very low34Very low119 Ų119143.2 Ų143.264%0.63673%0.733SS**  cis-159.6128.5-2.4-119-16.3000112
798Y34.6Very low33.8Very low179 Ų179142.9 Ų142.970%0.70274%0.736SS**  trans64.4143.7152.1-80-124.6000121
799R31.5Very low33.1Very low163 Ų163146.9 Ų146.962%0.61574%0.742SS**  cis-171.7130.1-22.6-118.7-158.9-165.4-163.72.3111.3
800H36.6Very low33.1Very low155 Ų155150 Ų15072%0.71875%0.752SS**  trans60.8156.4137.2-6413.5000120.2
801S30.7Very low32.8Very low105 Ų105150.2 Ų150.273%0.73475%0.753SS**  cis-156.5170.5-4.5-112.80000112.2
802P40Very low32.4Very low97 Ų97151.4 Ų151.463%0.6375%0.753SS**  trans-118-170.1-166.344.2-34.2000115.5
803H33.3Very low32.4Very low165 Ų165154.7 Ų154.776%0.76476%0.761SS**  trans154.3132.1140.6-80.5-52.2000111
804C29.4Very low31.9Very low108 Ų108152.3 Ų152.373%0.7376%0.758SS**  81.2149.857.4-73.90000114.7
805S31.4Very low31.9Very low99 Ų99147.9 Ų147.969%0.69275%0.754SS**  cis-177.3160.4-23.2-970000111.5
806R34.4Very low31.9Very low246 Ų246147 Ų14793%0.92875%0.754SS**  trans70.8151.4147.9-81.5179.7174.6173.1-1.4122.2
807T29.5Very low31.8Very low130 Ų130145.3 Ų145.380%0.79875%0.75SS**  trans-75.6150.117047.50000113.7
808L29.7Very low31.4Very low168 Ų168145.5 Ų145.588%0.8876%0.756SS**  159.7112.1124-17576000110.6
809K29.1Very low31.2Very low190 Ų190142.2 Ų142.283%0.82675%0.754SS**  trans-155.1117.7166.6-79.5-160.9178.4-173.20113.8
810H29.6Very low31.2Very low191 Ų191139.8 Ų139.888%0.88476%0.758SS**  -125.1145115.7-71.3-90.6000104.5
811I30.5Very low30.9Very low141 Ų141137.9 Ų137.972%0.72376%0.757SS**SBendcis-143.6156.845.5-79.7170.3000110.9
812H28.7Very low30.8Very low166 Ų166137.8 Ų137.877%0.76975%0.752SS**  trans67.9142.7166.6-74.6-41.1000121.6
813Q32Very low30.2Very low185 Ų185140.2 Ų140.286%0.86476%0.76SS**  trans72.1122.1156.5-69.7170.714.600120.3
814S27.2Very low30.3Very low112 Ų112138.9 Ų138.978%0.78376%0.764SS**  trans-64.4-176.6168-23.20000112.7
815P33Very low30.2Very low108 Ų108139.7 Ų139.770%0.70177%0.766SS**  cis-138.8-166.4-0.928.6-2.9000115
816T30.2Very low30.2Very low112 Ų112141.3 Ų141.369%0.68777%0.771SS**  trans70.7105.614334.60000122.3
817T31.3Very low30Very low113 Ų113134.6 Ų134.669%0.69376%0.761SS**  60.2112.8122.457.70000123.2
818T27.7Very low29.9Very low122 Ų122134.2 Ų134.275%0.74876%0.759SS**  59.4143.3107.6-29.80000122
819T29.1Very low30Very low110 Ų110134.7 Ų134.768%0.67575%0.754SS**  trans111145133.2-7.70000119.2
820T31.1Very low30.1Very low112 Ų112134 Ų13469%0.68775%0.752SS**  trans66112.6153.5410000117.8
821T30.9Very low30.4Very low115 Ų115130.1 Ų130.171%0.70674%0.741SS**  67.4149.47269.20000113.5
822T29.1Very low30.6Very low103 Ų103129 Ų12963%0.63274%0.741SS**  cis-174.5151.5-7.726.20000107.2
823N26.8Very low31.2Very low148 Ų148128 Ų12879%0.79174%0.74SS**  trans65.4167.8165.8-45.6-27.4000113
824T35.7Very low31.3Very low137 Ų137123.9 Ų123.984%0.8473%0.731SS**  cis-137162.315.536.20000113
825T28.3Very low31.9Very low126 Ų126124.2 Ų124.277%0.77373%0.729SS**  trans-90.3155.5170.648.50000112
826T30.8Very low32.2Very low132 Ų132125 Ų12581%0.8173%0.732SS**  trans176.6152.3131.523.70000115.4
827C28.9Very low32.5Very low106 Ų106124 Ų12472%0.71674%0.735SS**  trans52.6114.2153.8-58.30000120.6
828T28.8Very low32.6Very low121 Ų121126.4 Ų126.474%0.74274%0.74SS**  cis86.3134.742.266.10000115.8
829F31.4Very low32.8Very low179 Ų179127.2 Ų127.279%0.78574%0.737SS**  -175.2110.3127.3-115.2-90.7000112.6
830F32Very low33Very low176 Ų176129.3 Ų129.377%0.77274%0.743SS**  trans64.5141.8155.5-75.7-123.3000119.2
831T34.9Very low33.1Very low109 Ų109129.1 Ų129.167%0.66974%0.742SS**  cis-139.9131.211.215.60000113.3
832T35.8Very low33.1Very low116 Ų116129.4 Ų129.471%0.71274%0.743SS**  trans37.5140.9137.258.70000122.5
833I40Very low33.2Very low146 Ų146132.7 Ų132.775%0.74975%0.749SS**  cis-163.4147.56.2-118.8163000111.7
834S33.7Very low33.3Very low98 Ų98131.8 Ų131.869%0.68575%0.749SS**  trans52.3149.4157.8-64.30000122.2
835T40.2Very low33.2Very low119 Ų119130.6 Ų130.673%0.7375%0.746SS**  cis-175.1152.6-18.330.50000107.6
836T39.5Very low33.2Very low124 Ų124130.7 Ų130.776%0.76175%0.747SS**  cis-175.1145-40.216.20000109.2
837A36.7Very low33.3Very low91 Ų91130.9 Ų130.975%0.75275%0.748SS**  trans68154.6152.800000120.8
838M34.4Very low33.6Very low165 Ų165132.5 Ų132.581%0.81376%0.755SS**  cis-164.4158.3-37.9-121.4171-167.800113.3
839M29.9Very low33.8Very low139 Ų139132.4 Ų132.469%0.68576%0.759SS**  trans-25.1150.7153.5-59.2179.8-79.100117.7
840I33.8Very low33.9Very low153 Ų153126.9 Ų126.979%0.78575%0.752SS**  cis81128.137.6-55.2163.3000111.5
841T32.8Very low34Very low109 Ų109126.7 Ų126.767%0.66976%0.759SS**  -179.1111.889.3-50.70000116.1
842T32.6Very low33.9Very low121 Ų121127.9 Ų127.974%0.74276%0.76SS**  trans67.8-179152.968.40000120.1
843K29.2Very low33.9Very low172 Ų172127.9 Ų127.975%0.74876%0.761SS**  cis-167.9147.216-143.8162-171173.10114.6
844T29.4Very low33.5Very low128 Ų128128.3 Ų128.379%0.78576%0.762SS**  trans59.3155.3154.341.40000119.7
845S33.3Very low33.2Very low113 Ų113127.1 Ų127.179%0.7976%0.759SS**  cis-143.1171.921.1-680000115
846T28.5Very low32.9Very low127 Ų127128.7 Ų128.778%0.77976%0.763SS**  trans-58.7155.4-17850.60000119.6
847T33.4Very low32.5Very low136 Ų136128.9 Ų128.983%0.83476%0.764SS**  -170.5146.3123.913.50000116
848T35Very low32.2Very low141 Ų141129 Ų12987%0.86577%0.765SS**  trans69.9166161.310.20000121.1
849S32.8Very low32Very low118 Ų118126 Ų12683%0.82577%0.767SS**  trans-130.3160.9-149.155.80000114.9
850G33.6Very low32.1Very low63 Ų63122.7 Ų122.765%0.64977%0.768SS**  trans156.695.5159.500000116.6
851N33.6Very low31.9Very low172 Ų172122.7 Ų122.792%0.9277%0.768SS**  177.5146.1112.8-91.1-18.7000113.6
852I33.9Very low31.9Very low134 Ų134125.4 Ų125.469%0.68777%0.771SS**  trans-108.9154.7168.7-63.2163.4000107
853T34.9Very low31.9Very low117 Ų117130.3 Ų130.372%0.71878%0.776SS**  trans15696.7131.5-62.50000113.1
854I32.4Very low32.1Very low154 Ų154133.9 Ų133.979%0.7979%0.785SS**  50.1134.1126.9-56.6170000119.9
855A28.3Very low32.3Very low74 Ų74139.5 Ų139.561%0.61279%0.792SS**  trans-106.1159.2164.400000111.7
856N32.1Very low32.2Very low151 Ų151137.5 Ų137.581%0.80779%0.789SS**  174.1144125.4-92.3-10.4000115.6
857T32.5Very low32.8Very low128 Ų128137.1 Ų137.179%0.78579%0.788SS**  trans54127.4137-47.20000122.5
858A30.1Very low32.7Very low94 Ų94136.2 Ų136.278%0.77779%0.787SS**  trans-34.8155.7168.800000119.9
859A30.3Very low32.7Very low103 Ų103132.8 Ų132.885%0.85178%0.78SS**  -167159.1117.900000111.6
860G31.5Very low32.7Very low68 Ų68136.2 Ų136.270%0.70178%0.783SS**  trans-97162.8167.900000113
861L30.5Very low32.4Very low153 Ų153138.9 Ų138.980%0.80179%0.791SS**  trans67.3112.9162.5-70.2165.2000120.5
862K31.6Very low32.4Very low167 Ų167137.5 Ų137.573%0.72678%0.783SS**  trans76.6120.2136.7-71.1175.21781710120.8
863R33.6Very low32.3Very low224 Ų224135.9 Ų135.985%0.84578%0.776SS**  trans75.384.2142-65.6-168-80-152.92.2119.7
864R31.9Very low32.3Very low246 Ų246137 Ų13793%0.92877%0.773SS**  37.6130126.3-80.4-175165-173.2-4.6120.2
865R33.5Very low32.3Very low247 Ų247138.4 Ų138.493%0.93277%0.77SS**  trans83.3120.6165.2-62.2178.4170.9169.2-4.4115.8
866G32.7Very low32.5Very low71 Ų71139.1 Ų139.173%0.73277%0.769SS**  trans-89.7-147.4154.800000110.4
867P41.1Very low32.6Very low118 Ų118141.4 Ų141.477%0.76677%0.767SS**  cis-142.6-178.923.640.6-20.7000117.6
868S30.9Very low32.6Very low117 Ų117140.2 Ų140.282%0.81876%0.756SS**  trans65.6146.6146.8570000122.3
869G34.2Very low32.9Very low69 Ų69141.1 Ų141.171%0.71175%0.752SS**  trans12861174.900000112.7
870E34Very low33.2Very low191 Ų191142.5 Ų142.589%0.89375%0.745SS**  78.6115.185.9-69.7-167.3164.200115
871C26.6Very low33.3Very low119 Ų119147.1 Ų147.180%0.80475%0.746SS**  trans-93.1158.6172.6-460000111
872N33.2Very low33.6Very low142 Ų142147.2 Ų147.276%0.75974%0.742SS**  trans174.4156.2160.5-90.3-20.6000107.2
873N32.2Very low33.8Very low101 Ų101144.5 Ų144.554%0.5474%0.735SS.*  cis-170.9-164.9-15.7-107.5-6.6000106.3
874Q35.6Very low34Very low140 Ų140141.5 Ų141.565%0.65473%0.731SS**  cis-160.7117.219.8-161.881.746.300111.4
875Y32.4Very low34Very low183 Ų183134.4 Ų134.472%0.71872%0.719SS**  trans52.7163.9139.1-71.4-100.4000121.2
876C32Very low34.1Very low90 Ų90128.8 Ų128.861%0.60871%0.707SS**  cis-157138.224.8-135.20000113.3
877R33.5Very low34.3Very low198 Ų198131.6 Ų131.675%0.74771%0.706SS**  trans68.2151140.3-70178.4171.5-983120.2
878D33.7Very low34Very low104 Ų104134.7 Ų134.756%0.55670%0.703SS**  cis-158153.6-6.4-106.5-29.4000110.1
879T36.4Very low34.2Very low113 Ų113136.7 Ų136.769%0.69370%0.699SS**  trans46.3141.3153.256.80000121.1
880D35.3Very low34.2Very low131 Ų131140.7 Ų140.770%0.70170%0.699SS**  cis-161.9166.9-0-107.4-30.3000111.4
881F34.8Very low34.2Very low166 Ų166138.6 Ų138.673%0.72869%0.689SS**  trans-18.4140.3165.2-67-100.3000118.4
882H37.3Very low34.5Very low155 Ų155136.5 Ų136.572%0.71867%0.673SS**  -178.5154.159.8-115.2-58.6000114.2
883N36Very low34.4Very low110 Ų110137.1 Ų137.159%0.58867%0.671SS**  trans51.2118.4146.7-76.839.4000125.7
884E36.5Very low34.4Very low160 Ų160140.1 Ų140.175%0.74868%0.682SS**  79.7122.4121.2-67.7178134.900124
885S33.4Very low34.3Very low97 Ų97141.7 Ų141.768%0.67869%0.689SS**  trans75.6133.8143.779.40000117.4
886N35.4Very low34.5Very low129 Ų129139.2 Ų139.269%0.6968%0.684SS**  cis-155.6169.233.6-72.7-87.6000112.7
887N36.7Very low34.5Very low131 Ų131144 Ų14470%0.70169%0.689SS**  trans68.5139.1158.3-60.4-22.7000117.5
888Y34.3Very low34.5Very low183 Ų183142.8 Ų142.872%0.71869%0.689SS**  cis-137.8155.37.6-105.3-72.9000112
889H35.1Very low34.3Very low159 Ų159145.9 Ų145.974%0.73670%0.7SS**  trans48.2114.6152.8-69.7-31.1000119.9
890H33.9Very low34.1Very low152 Ų152148.4 Ų148.470%0.70471%0.709SS**  cis54.1134.732.4-95.1-22.8000113.6
891H33.9Very low33.9Very low147 Ų147149.7 Ų149.768%0.68172%0.715SS**  cis-169.7174.9-7.2-144.88.2000110.5
892T33Very low33.7Very low75 Ų75144.9 Ų144.946%0.4671%0.706SS.*  trans42.4119151.550.20000123.5
893H31.4Very low33.4Very low155 Ų155145.6 Ų145.672%0.71871%0.709SS**  64126.9114-125.5-100.1000121.9
894E31.3Very low33.2Very low165 Ų165148.3 Ų148.377%0.77172%0.718SS**  trans60147.9167.4-73.8151.2152.500116.2
895E35Very low32.9Very low172 Ų172149.2 Ų149.280%0.80472%0.722SS**  cis-147.9177.215.2-145.4174.8176.900111.9
896E35.1Very low32.8Very low131 Ų131152.5 Ų152.561%0.61273%0.731SS**  trans20.7110.6162.1-74-116.2122.400122.7
897R32.2Very low32.3Very low190 Ų190154 Ų15472%0.71774%0.738SS**  74.3151.9107.7-157.1172.5-178.41731.5120.4
898K34Very low32.1Very low173 Ų173153.1 Ų153.175%0.75274%0.74SS**  trans75.6156176.7-53.4176.1-173.8168.30114.2
899Q29.4Very low31.7Very low169 Ų169150.1 Ų150.179%0.7974%0.744SS**  cis-161.3134.6-11.7-119.6166.7-34.400109.6
900L31.5Very low31.2Very low166 Ų166149.9 Ų149.987%0.86975%0.749SS**  trans-158.4143.9158.7-63.9-179.8000105.8
901L31Very low30.6Very low158 Ų158148.1 Ų148.183%0.82775%0.752SS**  cis-148.4180-3.1-14270.3000105.4
902A32.1Very low30.3Very low65 Ų65147 Ų14754%0.53776%0.76SS.*  cis-157.9-176.96.100000110
903H30.3Very low30.1Very low171 Ų171150.2 Ų150.279%0.79277%0.771SS**  trans67.6132.4-179.9-60.3-95.8000114.8
904E31.9Very low30Very low167 Ų167150 Ų15078%0.7877%0.768SS**  cis-144.6161.89.9-135.3156-149.700111.7
905E30.3Very low29.9Very low178 Ų178148.1 Ų148.183%0.83276%0.758SS**  trans48.8110.1173.6-53.9-168.413900118.5
906L31.3Very low29.4Very low166 Ų166150.2 Ų150.287%0.86976%0.758SS**  83.413955.8-68.8167.4000116.4
907L23.8Very low29.2Very low160 Ų160150.2 Ų150.284%0.83877%0.767SS**  trans-101-173.1-168.9-58.979000110.5
908P34.1Very low29Very low113 Ų113145.6 Ų145.673%0.73476%0.76SS**  cis-143.2170.42.742.1-21.9000119.4
909C24.8Very low29Very low120 Ų120143.1 Ų143.181%0.81176%0.755SS**  trans33.1115.1149.7-700000123.9
910N24.4Very low29Very low155 Ų155141.8 Ų141.883%0.82975%0.749SS**  trans55.7128.8134.2-90.7-0.5000123
911C21.7Very low29Very low114 Ų114138.8 Ų138.877%0.7773%0.733SS**  trans64.183.3151.3-66.30000118.8
912C28.8Very low29.3Very low125 Ų125139.2 Ų139.285%0.84573%0.729SS**  trans-154.6136.9135.8-108.40000115.5
913M28Very low29.4Very low141 Ų141140.5 Ų140.570%0.69573%0.726SS**  trans55113.8139.2-62.6-69.6-85.300121.9
914F30.2Very low29.4Very low151 Ų151137.3 Ų137.366%0.66272%0.715SS**  trans71.8147139.8-83.9-133.9000119.4
915K27.7Very low29.7Very low126 Ų126136.7 Ų136.755%0.54871%0.712SS.*  cis-172.8120.2-29.9-126.9-172.7-158.8158.80108.4
916R25Very low29.8Very low216 Ų216134.4 Ų134.482%0.81571%0.706SS**  trans63.2151.7165.7-51.9166.2178.9167.4-5.4114
917T30.1Very low30Very low130 Ų130130.2 Ų130.280%0.79870%0.702SS**  cis-92128.4-1.344.60000111.3
918T29.6Very low30.4Very low94 Ų94132.1 Ų132.158%0.57770%0.704SS**  74.9142.275.7-36.30000111.6
919D32.4Very low30.4Very low120 Ų120131.7 Ų131.764%0.64270%0.704SS**  trans74.1108.8171.7-57.4-42000116.6
920Q30.4Very low30.5Very low142 Ų142134.3 Ų134.366%0.66471%0.708SS**  77.8115.553.4-74.8-169.583.900112.2
921L30.8Very low30.7Very low102 Ų102131.3 Ų131.353%0.53470%0.7SS.*  trans64.1-171.4135.9-54.8174.6000113.3N923L921-N923 WeakPolarHBondContact CD2-OD1 3.27Å
922K38.2Very low31.2Very low168 Ų168133 Ų13373%0.7370%0.701SS**  cis-101.4126.8-23.2-116.5105.2-176.9167.80106.2
923N33.5Very low31Very low92 Ų92133.4 Ų133.449%0.49269%0.693SS.*  66.3135.287.9-70.320000112.8L921L921-N923 WeakPolarHBondContact CD2-OD1 3.27Å
924N30.2Very low31.2Very low104 Ų104134.8 Ų134.856%0.55670%0.698SS**  36.6139.1116.2-25.7-10.7000117.6
925H38.8Very low31.2Very low153 Ų153135.1 Ų135.171%0.70870%0.702SS**  cis-126.3139.527.3-84.9-73.4000111.3
926D31.7Very low31.3Very low131 Ų131135.2 Ų135.270%0.70171%0.707SS**  46.8112.285.3-56.5-51.3000111.9
927G35.5Very low31.5Very low78 Ų78131.1 Ų131.180%0.80470%0.702SS**  trans-72.8160.3175.700000112.5
928K33Very low31.4Very low200 Ų200134.3 Ų134.387%0.8770%0.701SS**  trans-129.5128.7151.3-86.3-173.9175.7177.50109.6
929S33.2Very low31.3Very low104 Ų104136 Ų13673%0.72770%0.703SS**  trans35.1117.4147.957.40000119.1
930L27.8Very low31Very low174 Ų174134.7 Ų134.791%0.91170%0.704SS**SBendtrans-56.7138.7131.4-82.1153.5000108.2
931S28.4Very low30.9Very low93 Ų93134.2 Ų134.265%0.6571%0.711SS**  cis-149.5120.110.653.20000112.4
932D32.9Very low30.9Very low148 Ų148136.2 Ų136.279%0.79172%0.721SS**SBendtrans-151.8102.8143.9-104.7-33.2000109.9
933I24.8Very low30.6Very low134 Ų134135.1 Ų135.169%0.68772%0.722SS**  trans69.6130.8145.4-58163.2000118.5
934E31.2Very low30.5Very low171 Ų171135.1 Ų135.180%0.79973%0.729SS**  trans62165.4168-71.8165.6-151.200117
935H29.8Very low30.4Very low158 Ų158137.2 Ų137.273%0.73174%0.74SS**  -156.1149.8-56.6-119-38.6000107.9
936L30.8Very low30.1Very low127 Ų127134.6 Ų134.667%0.66574%0.739SS**  trans46.9127.6144.2-64.3162.8000122.3
937N29.6Very low30.1Very low131 Ų131139.4 Ų139.470%0.70175%0.747SS**  73.3131.1129.7-66.4-8.5000123.6
938Y27.9Very low29.8Very low197 Ų197142.4 Ų142.477%0.77374%0.744SS**  94.4134.9126.9-100.5-130.2000122.8
939M27.1Very low29.8Very low129 Ų129139 Ų13964%0.63574%0.736SS**  trans45.1120.2146.9-61.9-7298.400118.9
940S26.6Very low29.7Very low93 Ų93140.7 Ų140.765%0.6574%0.737SS**  64.5126.758.3-51.30000114.5
941T26.9Very low29.9Very low132 Ų132138 Ų13881%0.8173%0.727SS**  trans-167.4-178.6157.45.90000105.3
942I31.6Very low30Very low144 Ų144140.9 Ų140.974%0.73874%0.735SS**  cis-156.9153.621.13.7173.9000104.8
943L31.9Very low30Very low144 Ų144140.4 Ų140.475%0.75473%0.732SS**SBendcis-130.31663.3-64.593.9000107.8
944S30.2Very low30.1Very low92 Ų92138.8 Ų138.864%0.64373%0.732SS**SBendcis-150.5137.327.7-52.30000113.1
945N29.3Very low30.1Very low149 Ų149137.9 Ų137.980%0.79773%0.727SS**  trans59.6133.4152.5-49-17.3000119.2
946S31.9Very low30.1Very low98 Ų98137.7 Ų137.769%0.68573%0.726SS**  cis-174.5137-18.943.70000109.2
947R31.4Very low30Very low231 Ų231142.4 Ų142.487%0.87274%0.735SS**  trans64.6107.3161.6-68.3178.8171.2167.9-4118.8
948L30.4Very low30Very low141 Ų141143.8 Ų143.874%0.73874%0.737SS**  66.8131.2114.4-69.2170000121.7
949D31.7Very low30.1Very low130 Ų130143 Ų14370%0.69574%0.74SS**  trans84.1138.9140.5-54.4-21000123.6
950D32.7Very low30.1Very low139 Ų139146.2 Ų146.274%0.74375%0.746SS**  trans72.1103.5152.6-67.6-14.8000124.7
951T30.5Very low30.3Very low116 Ų116150.2 Ų150.271%0.71276%0.755SS**  70.4131.8129.859.80000122.8
952L31.3Very low30.4Very low155 Ų155152.3 Ų152.381%0.81276%0.755SS**  trans63.3166.7154.8-91.362.8000115.9
953D32.4Very low30.4Very low138 Ų138153 Ų15374%0.73876%0.755SS**  cis-138176.81.3-153.1-11.4000111.5
954C26.5Very low30.4Very low100 Ų100152.9 Ų152.968%0.67675%0.75SS**  trans-78.3-175.1170.3-79.20000113.4
955H31.2Very low30.4Very low152 Ų152156.7 Ų156.770%0.70476%0.758SS**  trans87.899.4159.1-68.1-78.3000121.3
956H30.1Very low30.5Very low154 Ų154154.3 Ų154.371%0.71375%0.753SS**  82.6113.6115.6-84.544.7000121.9
957R29.7Very low30.5Very low225 Ų225155.6 Ų155.685%0.84976%0.757SS**  79122.6121.8-155175.7-164.9175.54.6118.5
958H28.2Very low30.3Very low161 Ų161149.9 Ų149.975%0.74575%0.751SS**  trans-51.7142.7173.9-53.9-94.1000113.9
959H31Very low30.2Very low180 Ų180151.4 Ų151.483%0.83375%0.754SS**  -160.6156.7100.7-108.3-83.6000113.1
960Y27.1Very low30.2Very low196 Ų196150.2 Ų150.277%0.76976%0.755SS**  trans-58.4137.2-173.8-72.6-112.7000115.1
961H31.3Very low30.2Very low178 Ų178151.3 Ų151.382%0.82476%0.755SS**  -168.815191.7-114.1-82.9000113.2
962Q29Very low30.1Very low175 Ų175152.5 Ų152.582%0.81876%0.757SS**  trans-93.1149.5170.1-66.5174.5-30.300111
963H31.1Very low30.1Very low160 Ų160150.8 Ų150.874%0.74175%0.753SS**  -172.9130.6127.1-106.4-77.3000111.5
964H31.9Very low30Very low141 Ų141152.6 Ų152.665%0.65376%0.757SS**  trans53.2123.1168-54.8-64000118.5
965Q30.6Very low30Very low172 Ų172157.8 Ų157.880%0.80476%0.763SS**  55.1123.564.4-60.5174.2-27.200111.6
966S30.9Very low29.7Very low98 Ų98158.3 Ų158.369%0.68577%0.765SS**  cis-168.2152.717.947.90000112.2
967T31.2Very low29.6Very low126 Ų126154.8 Ų154.877%0.77376%0.758SS**  trans55.1145.7148.6540000121.5
968C27.4Very low29.7Very low110 Ų110151.5 Ų151.574%0.74375%0.754SS**  cis-172.2157-24.9-115.20000110.1
969Q29.6Very low29.9Very low173 Ų173151.9 Ų151.981%0.80875%0.753SS**  trans68.9104.2156.1-68.1-177.3-700122.2
970C30.6Very low30.3Very low106 Ų106148 Ų14872%0.71675%0.745SS**  79.8109.4117.3-610000123.3
971H32.7Very low30.5Very low162 Ų162143.3 Ų143.375%0.7574%0.74SS**  trans61.1100.6134.4-74.4-67.3000122.7
972D28.1Very low30.6Very low140 Ų140142 Ų14275%0.74974%0.738SS**  73.6158.4117.4-78.9-50.1000123.6
973V32.5Very low30.8Very low120 Ų120139.6 Ų139.673%0.72773%0.731SS**  trans75.696.1173.8-166.20000116.8
974Q30.1Very low30.8Very low176 Ų176138.8 Ų138.882%0.82273%0.727SS**  trans50.3101.6143.6-58.3175.5-6.500118.4
975R25.2Very low30.7Very low209 Ų209140.3 Ų140.379%0.78973%0.734SS**  77.7115.471.7-81.6-170.6170-137.90.3116.3
976H26.3Very low30.8Very low162 Ų162137 Ų13775%0.7573%0.73SS**  trans65.5165156.5-45.2-43.1000114.5
977S27.7Very low30.9Very low80 Ų80137.5 Ų137.556%0.55973%0.734SS**  cis-148.8-175.211.335.60000108.6
978M31.8Very low30.8Very low156 Ų156139.7 Ų139.777%0.76874%0.737SS**  162.1152.987.7-76.6-169.4-162.600106.1
979F31Very low31Very low169 Ų169142.1 Ų142.174%0.74174%0.741SS**  cis-173.6-175.9-9.8-109.2-36.9000107
980P39.6Very low31.5Very low100 Ų100138 Ų13865%0.64973%0.729SS**  cis-132.7165.4-2733.2-16.1000114.5
981S32.3Very low31.5Very low97 Ų97137.6 Ų137.668%0.67873%0.728SS**  161.8123.2115-69.40000113.5
982I32.7Very low31.3Very low151 Ų151140.9 Ų140.977%0.77474%0.735SS**  trans59.3122.2137.1-58.6171.7000117.5
983D32.8Very low31.1Very low124 Ų124139.5 Ų139.566%0.66374%0.737SS**  cis-159.3-178.4-4.8-129.3-38.6000114.4
984Q31.2Very low30.7Very low143 Ų143139.8 Ų139.867%0.66874%0.742SS**  trans-49.9137.7-176.1-55.7140.763.800117.8
985H31.5Very low30.5Very low172 Ų172137 Ų13780%0.79674%0.742SS**  175.6-179.4102.5-102.1-68.8000114.2
986S31.7Very low30.9Very low103 Ų103132.5 Ų132.572%0.7274%0.743SS**  trans-102159.5-152.1-52.60000118
987S33Very low31.2Very low109 Ų109129 Ų12976%0.76274%0.742SS**  trans104.1111.8143.273.90000121.5
988M29.8Very low31.3Very low172 Ų172133 Ų13385%0.84776%0.756SS**  trans47.3105.1138.2-57.8172.877.400118.7
989I30.6Very low31.3Very low161 Ų161129.7 Ų129.783%0.82675%0.748SS**  49.6122.765.2-52.6176.4000111.9
990P39.8Very low31.2Very low85 Ų85130.8 Ų130.855%0.55275%0.752SS**  cis-123.6-172.711.131.9-8.4000113K1037P990-K1037 PolarHBondContact O-NZ 3.29Å
991S31.3Very low30.8Very low98 Ų98130.6 Ų130.669%0.68575%0.752SS**  cis-161.8-179.237.7-49.80000113.7
992Y29.2Very low30.7Very low231 Ų231133.6 Ų133.691%0.90676%0.759SS**  trans-82.2150.3-175.6-69.6-84.6000117.2
993S23Very low30.5Very low112 Ų112130.9 Ų130.978%0.78375%0.754SS**  trans-164.4149.2138.9-79.70000110.8
994C24Very low30.4Very low125 Ų125130.9 Ų130.985%0.84576%0.758SS**  trans65155.5173.6-51.90000115.7
995S27Very low30.5Very low117 Ų117132.8 Ų132.882%0.81877%0.765SS**  cis-142.9159.914.2-57.40000112.4
996S33.2Very low30.4Very low115 Ų115131.4 Ų131.480%0.80476%0.763SS**  trans-82.7146.3165.644.50000112.5
997A31.4Very low30.5Very low88 Ų88131 Ų13173%0.72777%0.766SS**SBendtrans46.9110.9155.800000121
998I30.8Very low30.3Very low166 Ų166133.6 Ų133.685%0.85177%0.766SS**  trans65.273.5140.3-44.8179.4000117.4
999S31.1Very low30.3Very low86 Ų86133.7 Ų133.760%0.60176%0.761SS**  56.4101.8117.6-178.50000121.3
1000K30.2Very low30.2Very low191 Ų191131.6 Ų131.683%0.8376%0.76SS**  trans73.5139.9136.1-60.5173.5-170.21740117.3
1001C29.7Very low29.6Very low97 Ų97135.2 Ų135.266%0.65577%0.769SS**  cis-159.8148.34.4-123.80000111.1
1002L30.8Very low29.7Very low159 Ų159136.9 Ų136.983%0.83277%0.771SS**  trans52139.5149.6-61.5160.1000119.5
1003S28Very low29.8Very low95 Ų95133.1 Ų133.166%0.66477%0.766SS**  cis-177.2-178.3-12.744.80000108.2
1004V30.9Very low30.3Very low123 Ų123130.9 Ų130.975%0.74576%0.755SS**  trans86.5104.2163-177.80000118.3
1005F33.3Very low30.9Very low183 Ų183131.4 Ų131.480%0.80375%0.754SS**  trans69104.3146.6-77.6-112.3000123.7
1006D30.6Very low31.3Very low143 Ų143133.3 Ų133.377%0.76575%0.754SS**  72.8172.4104.2-142.7-4000122
1007A32.1Very low31.2Very low95 Ų95135.1 Ų135.179%0.78575%0.753SS**  trans83.490.617400000118.9
1008H29.9Very low31.5Very low163 Ų163139.4 Ų139.476%0.75576%0.758SS**  trans-49.7154.6169-89.9-72000119.8
1009K30.1Very low31.6Very low174 Ų174135.7 Ų135.776%0.75775%0.747SS**  trans68120.8136.8-73.9173.7178.4177.90121.8
1010C26.8Very low31.7Very low118 Ų118138.5 Ų138.580%0.79776%0.756SS**  29.1121.9125.7-46.60000120.6
1011Q27.3Very low31.8Very low160 Ų160136.7 Ų136.775%0.74875%0.753SS**  trans-154.7155.7131.7-161.662.5-1.300110.1
1012D33.1Very low32Very low134 Ų134139.5 Ų139.572%0.71776%0.756SS**  trans149.8134146.2-78.6-13.7000110
1013N31.8Very low32Very low151 Ų151138.5 Ų138.581%0.80775%0.752SS**  cis-92.7150.66.7-49.1-53.1000111.6
1014A34.8Very low32Very low65 Ų65142.5 Ų142.554%0.53776%0.76SS.*  cis83.284.22000000116.1
1015T36Very low32Very low136 Ų136143.4 Ų143.483%0.83476%0.756SS**  trans-137.4133.4146.640.80000108.3
1016L35.4Very low31.8Very low157 Ų157143.2 Ų143.282%0.82275%0.751SS**  trans-73.7144-174.7-62.197.2000110.6
1017I31.9Very low31.9Very low153 Ų153143 Ų14379%0.78575%0.745SS**  73.8102.550.3-58172.1000113.6
1018E36Very low31.9Very low179 Ų179147.6 Ų147.684%0.83674%0.744SS**  trans-161.8111.7130.8-94.1-179.5152.900104.9
1019S33.8Very low31.9Very low88 Ų88146.7 Ų146.762%0.61574%0.744SS**  56.4126.288.556.30000114
1020D32.3Very low31.9Very low145 Ų145143.4 Ų143.478%0.77574%0.742SS**  cis-153.8173.817.5-88.4-38.4000113.8
1021I33.1Very low32Very low152 Ų152142.9 Ų142.978%0.77974%0.74SS**  trans72.8121168.3-55.7142.1000114.2
1022H33.4Very low32Very low156 Ų156141.9 Ų141.972%0.72275%0.745SS**  cis-150.1153.531.8-128.7-58.4000112.3
1023D32.2Very low31.7Very low139 Ų139139.5 Ų139.574%0.74374%0.744SS**  trans44.8106.5156.9-63.68.1000121.6
1024E26.3Very low31.4Very low178 Ų178137.8 Ų137.883%0.83274%0.744SS**  trans-73.8152.9138.2-66.5-166.4159.500110.5
1025H31.8Very low31.1Very low143 Ų143140.5 Ų140.566%0.66276%0.759SS**  -170.7128.9125.8-108.4-54.1000114.2
1026Y29.9Very low31.1Very low178 Ų178141.9 Ų141.970%0.69876%0.76SS**  trans65.8149.2155.8-63-54.1000118.7
1027H31.7Very low30.8Very low138 Ų138141 Ų14164%0.63975%0.749SS**  cis-149.81400.8-122.4-62.4000111
1028Y31.4Very low30.6Very low192 Ų192140.9 Ų140.975%0.75375%0.745SS**  trans78.4130.2145-94.6-148000124.7
1029L30.9Very low30Very low144 Ų144137.7 Ų137.775%0.75474%0.742SS**  trans75.267.9142.1-61.8176.5000121.5
1030S29.8Very low29.9Very low105 Ų105140.3 Ų140.373%0.73475%0.754SS**  22.4109.1118.1-178.20000119.6
1031S28.7Very low29.7Very low108 Ų108141.4 Ų141.476%0.75575%0.754SS**  33.7128.7124.9-55.10000122.5
1032T26.8Very low29.4Very low138 Ų138140.8 Ų140.885%0.84776%0.76SS**  trans-38.2156.314634.50000115.5
1033A26.7Very low29.3Very low85 Ų85140 Ų14070%0.70276%0.762SS**  cis-166.3164.4-3.500000111
1034S26.5Very low29Very low115 Ų115140.5 Ų140.580%0.80476%0.763SS**  trans-176.9157139.4-89.30000115
1035S29.3Very low29.3Very low121 Ų121141.4 Ų141.485%0.84676%0.764SS**  trans73.6141.2163.177.70000119.3
1036I34.2Very low29.1Very low166 Ų166141 Ų14185%0.85177%0.767SS**  trans-117127.7172.3-65.3172.2000108
1037K30.8Very low29Very low138 Ų138137.7 Ų137.760%0.677%0.765SS**  trans-154.6129.4159.8-122-172.4177.1-172.30110.4P990P990-K1037 PolarHBondContact O-NZ 3.29Å
1038H27.7Very low28.9Very low150 Ų150136.9 Ų136.969%0.69477%0.77SS**  trans56.795.5172.3-53.6-76.2000115.8
1039C22.8Very low28.6Very low113 Ų113134.4 Ų134.476%0.76477%0.769SS**  70.898.661.2-56.10000115.3
1040T32.4Very low28.5Very low143 Ų143134.6 Ų134.688%0.87777%0.768SS**  -157.5105.8117.8200000111.9
1041Q28.2Very low28.5Very low167 Ų167137 Ų13778%0.7877%0.77SS**  trans21.2113.1154.1-62-179.2-10.100120
1042P26.9Very low28.6Very low139 Ų139137.8 Ų137.890%0.90377%0.765SS**  trans-73.1127.6149.631.8-30.5000109.4
1043N29.7Very low29Very low141 Ų141136.5 Ų136.575%0.75475%0.754SS**  trans-126146.4169.7-151.1-20.6000108.6
1044L27.4Very low29.2Very low149 Ų149139.2 Ų139.278%0.7876%0.756SS**  trans-61.6135.9-162.1-88.865.8000114.3
1045K32.2Very low29.6Very low196 Ų196141.3 Ų141.385%0.85275%0.753SS**  trans169.7150.9138.9-92.6149.9-172.9176.70110.5
1046N27.5Very low29.8Very low136 Ų136142.8 Ų142.873%0.72775%0.752SS**  cis-167.6147.2-36-139.221.2000107.3
1047T26.7Very low29.9Very low107 Ų107138.3 Ų138.366%0.65675%0.746SS**  trans50.6118.7152.4-24.80000120.3
1048T29.5Very low29.9Very low121 Ų121141.4 Ų141.474%0.74276%0.76SS**  163.895.3106.3-58.20000113.1
1049L25.6Very low30.1Very low140 Ų140142.2 Ų142.273%0.73377%0.768SS**  25.9117128.1-72169.3000120.6
1050M28.9Very low30.6Very low148 Ų148141.4 Ų141.473%0.72976%0.759SS**  162.8133.196.2-86.1-126176.100115.6
1051M29.3Very low30.5Very low156 Ų156142.8 Ų142.877%0.76876%0.756SS**  trans61.4153.6147.5-56.5-52.6-177.600119.4
1052D31.5Very low30.5Very low124 Ų124139.1 Ų139.166%0.66375%0.754SS**  cis-156.3165.320.1-150.4-0.1000115.4
1053N34.5Very low30.7Very low112 Ų112139.2 Ų139.260%0.59975%0.751SS**  trans72.6110.9158.7-66.5-64.8000123.9
1054N31.2Very low30.7Very low142 Ų142138.5 Ų138.576%0.75975%0.747SS**  52.2134.6121.5-64.5-26000121.4
1055E35Very low30.9Very low159 Ų159137.6 Ų137.674%0.74374%0.744SS**  cis-145.3175.419.6-69-165.3149.800114.5
1056N34Very low30.8Very low152 Ų152135 Ų13581%0.81374%0.739SS**  trans69.289.5155.9-66.2-48.3000119.5
1057G35.6Very low30.9Very low71 Ų71133.4 Ų133.473%0.73274%0.738SS**  trans170.675.6162.700000115.5
1058K31.9Very low30.8Very low203 Ų203134.1 Ų134.188%0.88375%0.746SS**  trans-63.1144.3171.7-66.1178.9179.7176.30110
1059I32.2Very low30.8Very low168 Ų168134.3 Ų134.386%0.86275%0.753SS**  cis-119.6145.717.9-64170.9000111.3
1060T31.8Very low30.8Very low95 Ų95134.7 Ų134.758%0.58376%0.76SS**  trans-100.2146.8-169.7-41.80000112.6
1061E30.9Very low30.7Very low173 Ų173132.3 Ų132.381%0.80876%0.764SS**  trans22.4130.3156.4-65.4143.4-153.400120.7
1062A28.5Very low30.5Very low89 Ų89132.2 Ų132.274%0.73677%0.767SS**  cis84.4120.541.400000115.5
1063V31.5Very low30.2Very low141 Ų141131 Ų13186%0.85577%0.768SS**  trans-134.8113.3149.3179.30000107.2
1064N29.7Very low29.7Very low126 Ų126133 Ų13367%0.67478%0.778SS**  trans10.8147.8139.8-73.146.9000120.1
1065D30.7Very low29.5Very low131 Ų131137.6 Ų137.670%0.70179%0.785SS**  cis-149.4174.817-122.3-42.9000114.6
1066N30.4Very low29Very low142 Ų142136.3 Ų136.376%0.75978%0.783SS**  trans-87.8149.2-161.5-72.9-67.4000118.1
1067S29Very low29.1Very low101 Ų101135.4 Ų135.471%0.70679%0.785SS**  trans48.7119140.368.10000122.3
1068C24.9Very low28.4Very low122 Ų122135.9 Ų135.982%0.82478%0.777SS**  trans40116.9130.5-57.10000120.9
1069S30.3Very low28.2Very low126 Ų126136.7 Ų136.788%0.88178%0.776SS**  -167.3155.6104-80.90000112.2
1070V24.8Very low28.1Very low147 Ų147136 Ų13689%0.89177%0.772SS**  trans-105.7117.5-174.6175.50000111.1
1071A26.8Very low28.1Very low98 Ų98136.6 Ų136.681%0.8178%0.781SS**  trans-157.6141.3160.100000110.9
1072N24.6Very low28.2Very low155 Ų155132.3 Ų132.383%0.82977%0.77SS**  trans-73.9147.7-174.5-57.6-43.9000113
1073S25.2Very low28.2Very low98 Ų98137.8 Ų137.869%0.68577%0.773SS**  155156.589.1-149.70000115.4
1074L25.8Very low28.1Very low155 Ų155137.7 Ų137.781%0.81276%0.763SS**  trans56.2103.5152.2-72.9154.7000120.8
1075R26.5Very low28.1Very low237 Ų237139.5 Ų139.589%0.89477%0.767SS**  -175.214094.8-101.9-174.2176.5-153.9-1.8114.4
1076N24.7Very low27.9Very low132 Ų132138 Ų13871%0.70677%0.765SS**  trans-83.7167.5165.7-61.2-1.2000111.3C1078N1076-C1078 PolarHBondContact ND2-SG 2.77Å; N1076-C1078 VanDerWaalsContact ND2-SG 3.38Å
1077P34.7Very low27.8Very low133 Ų133137 Ų13786%0.86477%0.77SS**  -105.6145.4127.533.5-30.4000111.1
1078C22.7Very low27.7Very low82 Ų82137.3 Ų137.355%0.55477%0.772SS**  trans-126.7172.1-174.9-66.80000112.2N1076N1076-C1078 PolarHBondContact ND2-SG 2.77Å; N1076-C1078 VanDerWaalsContact ND2-SG 3.38Å
1079Y26.4Very low27.9Very low219 Ų219136.6 Ų136.686%0.85976%0.764SS**  trans75.5149.8167.4-66.3-74.6000116.2
1080I31.5Very low27.9Very low154 Ų154139.9 Ų139.979%0.7976%0.762SS**  cis-149.5162.423.6-127.9140.7000112.2
1081S31.8Very low28Very low108 Ų108137.6 Ų137.676%0.75575%0.753SS**  trans71.4139.7167.5-125.90000119.4
1082S31.5Very low28.2Very low83 Ų83142.2 Ų142.258%0.5876%0.758SS**  cis-175.6154-18.943.70000112
1083Y28.2Very low28.3Very low204 Ų204143.5 Ų143.580%0.876%0.759SS**  trans68.6139.3167.8-68-74.3000117.6
1084E30.9Very low28.5Very low139 Ų139146.6 Ų146.665%0.6577%0.768SS**  cis-162.8145-9.3-168.4156.9-123.600112.6
1085H29.8Very low28.6Very low163 Ų163145.9 Ų145.976%0.75576%0.764SS**  trans56.9153.6161.4-73.84.2000121.4
1086C26.4Very low28.6Very low99 Ų99141.4 Ų141.467%0.66976%0.756SS**  cis-171.9139.3-29.6-108.20000110.7
1087S26.6Very low28.9Very low123 Ų123142.7 Ų142.786%0.8676%0.758SS**  trans48.6158.4151.6-50.20000121.5
1088S28.1Very low28.5Very low107 Ų107145.6 Ų145.675%0.74875%0.752SS**  cis-147.2146.74.9-173.70000113.5
1089V29.2Very low28.8Very low107 Ų107150.5 Ų150.565%0.64876%0.76SS**  trans-41.2139.2155.2-174.20000114.3
1090F29.4Very low29Very low194 Ų194145 Ų14585%0.85175%0.749SS**  -174.5161.8109.3-104.6-72.3000113.6
1091S27.7Very low28.9Very low100 Ų100147 Ų14770%0.69975%0.748SS**  trans-138.2174.5-172.1-55.80000111.9
1092E30.8Very low28.8Very low195 Ų195148.4 Ų148.491%0.91175%0.748SS**  trans80.4135.1161.3-69.6175.2-164.700119.6
1093E27.1Very low28.9Very low182 Ų182153.4 Ų153.485%0.8576%0.761SS**  trans-93.8129.3174.8-54.8167125.700108.7
1094N28.5Very low29.2Very low162 Ų162152.4 Ų152.487%0.86677%0.769SS**  trans-160.6164.7146.6-117.9-69.4000113.2
1095L27.7Very low29.3Very low140 Ų140149.2 Ų149.273%0.73377%0.773SS**  trans-96.7157-157.7-9278.3000115.6
1096I27.8Very low29.5Very low143 Ų143151.8 Ų151.873%0.73378%0.782SS**  trans71.6103.8160.6-55.3138.2000116.4
1097H29.3Very low29.9Very low160 Ų160154.3 Ų154.374%0.74179%0.788SS**  -157.1159.3111.8-122.3-97.2000113.9
1098R26.8Very low30.1Very low193 Ų193157.9 Ų157.973%0.72879%0.785SS**  trans-58.6148-176.8-54.5163.5-176.4156.5-0.8111.8
1099Y29.2Very low30.3Very low185 Ų185160.8 Ų160.873%0.72579%0.786SS**  -173.3139.472.1-110.6-92.8000112.6
1100T31.6Very low30.4Very low105 Ų105162.1 Ų162.164%0.64479%0.787SS**  trans43.7142.7145.654.80000122.2
1101Y28.5Very low31Very low194 Ų194159.9 Ų159.976%0.76179%0.789SS**  cis-167141.2-0.7-126.8-51.7000109.3
1102N29.3Very low31.5Very low139 Ų139163 Ų16374%0.74379%0.793SS**  trans62.1155.7160.9-66.8-12.7000118.1
1103E35Very low31.9Very low187 Ų187160.7 Ų160.787%0.87479%0.787SS**  cis-121.6174.96.3-78.8-167150.300113.9
1104L33.8Very low32.7Very low183 Ų183158.7 Ų158.796%0.95878%0.777SS**  trans-79.9141.9-178-68.7157.6000113
1105G33.1Very low33.3Very low72 Ų72158 Ų15874%0.74277%0.767SS**  trans-147.482.2-174.900000116.2
1106K34.3Very low33.9Very low217 Ų217158.7 Ų158.794%0.94377%0.766SS**  trans77.5130.1161.5-59-176179.1-178.90119.3
1107L33.9Very low34.2Very low152 Ų152158.8 Ų158.880%0.79676%0.763SS**  trans-86.9154.9178.1-74.4151.8000111.7
1108Y31Very low34.4Very low199 Ų199158.7 Ų158.778%0.7876%0.763SS**  trans67159.7154.1-81.2-124.9000114.5M1110Y1108-M1110 HydrophobicContact CD1-CG 4.43Å
1109E32.4Very low35.1Very low168 Ų168154.4 Ų154.479%0.78576%0.759SS**  cis-136.2178.331.9-166.3156-154.200114.7
1110M32Very low35.9Very low135 Ų135148.3 Ų148.367%0.66574%0.742SS**  trans-77.6172.2-160.6-56166-67.800113.9Y1108Y1108-M1110 HydrophobicContact CD1-CG 4.43Å
1111T41.5Very low36.1Very low146 Ų146145.3 Ų145.390%0.89672%0.72SS**  trans-128.1143.8155.1-34.30000107.6
1112E38.9Very low36.6Very low166 Ų166141.4 Ų141.478%0.77672%0.717SS**  trans-94.5159.9-158.5-60.5167.7132.500113.2
1113D38.9Very low37.1Very low147 Ų147139.5 Ų139.579%0.78671%0.705SS**  trans50.1139.3139.4-63.83000120.7
1114E43.1Very low37.4Very low139 Ų139136.5 Ų136.565%0.6569%0.694SS**  cis-149.915433.1-76.7-165.9142.900114.7
1115K42.2Very low37.5Very low147 Ų147135.4 Ų135.464%0.63969%0.688SS**  trans56125.3137.1-66.2161-167.2160.10120.3
1116E39Very low37.8Very low156 Ų156139.1 Ų139.173%0.72969%0.687SS**  66.6139.563.8-65.1-177.3-160.400113.7
1117H34.4Very low37.8Very low145 Ų145133.8 Ų133.867%0.67167%0.669SS**  cis-168.4156.4-6.1-109.4-32.7000109.6
1118E33.3Very low37.8Very low158 Ų158132.3 Ų132.374%0.73867%0.671SS**  -172.2138.1123.7-106.8-168.513600111.9
1119T42Very low37.9Very low103 Ų103128.8 Ų128.863%0.63267%0.666SS**  trans-149.3-37.2-16153.70000121.2
1120P46.2Very low37.8Very low57 Ų57128.6 Ų128.637%0.3767%0.67SS.*  trans-72.9149.9-165.128.9-35.4000112.6R494R494-P1120 WeakPolarHBondContact CA-O 3.42Å
1121E35.9Very low37.8Very low41 Ų41125.7 Ų125.719%0.19267%0.674CS.*  cis-64.5173.726.1-132.3155-169.600117R494 I495 M1123R494-E1121 HydrophobicContact CB-CB 4.1Å; R494-E1121 HydrophobicContact CB-CG 3.97Å; R494-E1121 WeakPolarHBondContact CD-OE1 3.46Å; R494-E1121 HydrophobicContact CG-CB 4.28Å; R494-E1121 HydrophobicContact CG-CG 3.84Å; R494-E1121 IonicContact CZ-OE1 3.02Å; R494-E1121 IonicContact NE-OE1 3.16Å; R494-E1121 PolarHBondContact NE-OE1 2.84Å; R494-E1121 VanDerWaalsContact NE-OE1 3.16Å; R494-E1121 IonicContact NH1-OE1 2.67Å; R494-E1121 PolarHBondContact NH1-OE1 3.24Å; R494-E1121 IonicContact NH2-OE1 3.92Å; I495-E1121 HydrophobicContact CD1-CB 3.59Å; I495-E1121 HydrophobicContact CD1-CG 4.42Å; I495-E1121 WeakPolarHBondContact CD1-OE2 3.26Å; I495-E1121 HydrophobicContact CG1-CB 3.61Å; E1121-M1123 HydrophobicContact CG-CB 4.03Å; E1121-M1123 HydrophobicContact CG-CG 3.98Å; E1121-M1123 VanDerWaalsContact OE1-CE 3.26Å; E1121-M1123 WeakPolarHBondContact OE1-CE 3.11Å; E1121-M1123 VanDerWaalsContact OE1-CG 3.28Å; E1121-M1123 WeakPolarHBondContact OE1-CG 3.42Å
1122T38.5Very low37.3Very low113 Ų113130 Ų13069%0.69367%0.674SS**  cis65.7175.729.88.20000113.9
1123M39.9Very low36.9Very low99 Ų99127 Ų12749%0.48866%0.663SS.*  cis-144.9170.927.9-129.1-154.2-34.800113.3R494 E1121R494-M1123 PolarHBondContact NH1-SD 3.41Å; E1121-M1123 HydrophobicContact CG-CB 4.03Å; E1121-M1123 HydrophobicContact CG-CG 3.98Å; E1121-M1123 VanDerWaalsContact OE1-CE 3.26Å; E1121-M1123 WeakPolarHBondContact OE1-CE 3.11Å; E1121-M1123 VanDerWaalsContact OE1-CG 3.28Å; E1121-M1123 WeakPolarHBondContact OE1-CG 3.42Å
1124I41.5Very low36.5Very low124 Ų124125 Ų12564%0.63666%0.66SS**  trans28.199.2158.1-54.3171.2000115.1
1125D34.9Very low36.1Very low159 Ų159127.3 Ų127.385%0.8567%0.671SS**  cis6385.615.8-157.733.7000114.6
1126E41.1Very low35.9Very low151 Ų151126 Ų12671%0.70668%0.675SS**  trans-161.8132.5161-107.1-66.9131.800109.7
1127N34.1Very low35.7Very low105 Ų105124 Ų12456%0.56167%0.669SS**  trans17.6138.2157.3-74-59.4000121.5
1128S32.6Very low35.5Very low120 Ų120126.1 Ų126.184%0.83967%0.673SS**  -153.3144.672.6-68.30000115.9
1129N33.8Very low35.6Very low126 Ų126126.9 Ų126.967%0.67468%0.676SS**  trans-81.6166.8175.3-78.9-79.4000112.9
1130N30.8Very low34.8Very low163 Ų163130 Ų13087%0.87268%0.683SS**SBendtrans1.7115.1155.7-62.4-27.1000118.1
1131G31.3Very low34.1Very low74 Ų74133 Ų13376%0.76370%0.702SS**  trans111.6128.6156.800000115
1132R31.4Very low33.9Very low237 Ų237138.3 Ų138.389%0.89473%0.73SS**  trans-60.4163.2156.9-54.8168.4163.1177-8.7108.8
1133I31.1Very low33.5Very low104 Ų104141 Ų14153%0.53374%0.739SS.*  cis-149.9149.621.2-29.5158.5000109.1T1136I1133-T1136 WeakPolarHBondContact CG2-O 3.26Å
1134S29.1Very low33Very low104 Ų104143.2 Ų143.273%0.72775%0.752SS**SBendtrans-152.7135.1144.6-75.80000108.4T1136S1134-T1136 PolarHBondContact O-N 3.28Å
1135E35.7Very low32.5Very low187 Ų187144.4 Ų144.487%0.87476%0.759SS**SBendtrans42.771.6161-67.1162.9-143.100114.3
1136T38.4Very low32.4Very low119 Ų119142.6 Ų142.673%0.7376%0.759SS**SBendcis-93.8138.643.147.60000116.7I1133 S1134I1133-T1136 WeakPolarHBondContact CG2-O 3.26Å; S1134-T1136 PolarHBondContact O-N 3.28Å
1137N34.1Very low31.8Very low115 Ų115141.1 Ų141.162%0.61577%0.765SS**SBendtrans68.799.8171.3-68.3-11.1000119.4
1138Y31Very low32.2Very low190 Ų190141.7 Ų141.775%0.74578%0.775SS**  trans61.2101136.6-67.8-86.5000121.3
1139H33.4Very low32.1Very low173 Ų173140.8 Ų140.880%0.80177%0.766SS**  54.9110.2128.4-76.8-79.7000122.4
1140H25.5Very low32.3Very low170 Ų170142 Ų14279%0.78777%0.771SS**  trans-72.2171.1133.4-77.8-59.4000110.7
1141P32.9Very low32.6Very low118 Ų118140 Ų14077%0.76676%0.756SS**  cis-136.9-167.115.345-27.3000116.4
1142I30.2Very low32.8Very low153 Ų153144.4 Ų144.479%0.78576%0.757SS**  trans-51.1139.3167.9-61.2150.4000113.2
1143I31.7Very low32.8Very low171 Ų171140.4 Ų140.488%0.87775%0.751SS**  trans-157156.1135.5-102.5154.9000108.5
1144L29Very low32.7Very low144 Ų144138.9 Ų138.975%0.75475%0.754SS**  trans-138.2152.9-173.3-133.5176.1000109.5
1145L30.9Very low33.1Very low149 Ų149143.6 Ų143.678%0.7876%0.762SS**  trans84.6143.3169.2-51.5167.3000117.9
1146S33Very low32.9Very low122 Ų122140.6 Ų140.685%0.85376%0.757SS**  trans78.5135.8169.1-48.90000117.3
1147S28.4Very low32.7Very low119 Ų119140.4 Ų140.483%0.83276%0.758SS**  trans-102.5176.8-176.4-49.80000111
1148P42.8Very low32.6Very low118 Ų118141.9 Ų141.977%0.76676%0.764SS**  trans-95.3-171.2-150.140.5-38.6000113.9
1149P29.2Very low32.5Very low101 Ų101140.1 Ų140.166%0.65676%0.762SS**  -152-173.8102.634.7-13.4000116.6
1150I39.3Very low32.5Very low151 Ų151137.6 Ų137.677%0.77476%0.761SS**  trans80133.3160.4-22.8-174.6000118.7
1151H35.5Very low32.8Very low120 Ų120134 Ų13456%0.55676%0.755SS**  trans-84.9-160.1165.4-86.7-154.9000111.3D1170H1151-D1170 VanDerWaalsContact CE1-CG 3.48Å; H1151-D1170 IonicContact CE1-OD1 3.07Å; H1151-D1170 PolarHBondContact CE1-OD1 2.88Å; H1151-D1170 IonicContact CE1-OD2 3.43Å; H1151-D1170 PolarHBondContact CE1-OD2 2.9Å; H1151-D1170 IonicContact CG-OD2 3.69Å; H1151-D1170 IonicContact ND1-OD1 3.27Å; H1151-D1170 PolarHBondContact ND1-OD1 3.15Å; H1151-D1170 IonicContact ND1-OD2 2.72Å; H1151-D1170 PolarHBondContact ND1-OD2 3.39Å
1152E35.8Very low32.9Very low168 Ų168133.7 Ų133.779%0.78575%0.751SS**  trans73110.3164.7-56.1-172.8121.700116
1153I33Very low33.1Very low152 Ų152132.3 Ų132.378%0.77975%0.746SS**  cis93.1141.933.5-57.1163.4000112.9
1154A27.8Very low33.3Very low72 Ų72130.5 Ų130.560%0.59574%0.736SS**  trans73.9149.3176.100000116
1155F36.7Very low33.6Very low203 Ų203129.2 Ų129.289%0.8973%0.726SS**  cis-124148.716.2-74.7-95000115.1
1156T32Very low33.8Very low125 Ų125133.1 Ų133.177%0.76773%0.731SS**  trans-90.7165.3171.251.60000111.6
1157P34.6Very low33.9Very low115 Ų115134 Ų13475%0.74773%0.726SS**  -151.4164.5113.436-18.8000115.4
1158I31.8Very low33.9Very low145 Ų145135.2 Ų135.274%0.74472%0.723SS**  cis-162.8139.4-17.2-106.5163.9000108.1
1159H29.6Very low33.6Very low153 Ų153135.3 Ų135.371%0.70873%0.727SS**  trans34.1147156.8-74.8-70.9000123.8
1160P32Very low33.9Very low120 Ų120135.4 Ų135.478%0.77972%0.722SS**  -98.7156.873-19.435.5000117.8
1161S33.2Very low33.7Very low94 Ų94134.1 Ų134.166%0.65772%0.716SS**  trans-25.3146.2156.945.10000117.8
1162T35.2Very low33.4Very low112 Ų112137.4 Ų137.469%0.68772%0.724SS**  cis-160.1149.111.239.40000112
1163N33.8Very low33.1Very low125 Ų125136.7 Ų136.767%0.66873%0.725SS**  trans56136.8141.3-64.337.6000119.8
1164I36.1Very low33.2Very low133 Ų133134.4 Ų134.468%0.68272%0.723SS**  cis-146.8127.86.7-98.7144.7000110
1165E34.3Very low33.3Very low117 Ų117138.5 Ų138.555%0.54774%0.735SS.*  trans12.7149.4131.4-57.876.8-98.400119
1166W36.8Very low33Very low231 Ų231134 Ų13488%0.87573%0.729SS**  cis-177.4173.8-3.5-98.2-25.8000107.4
1167D35.1Very low32.7Very low139 Ų139134.2 Ų134.274%0.74373%0.734SS**  cis-166.4-171.7-46.1-140.7-55.3000109.1
1168N28.1Very low32.4Very low145 Ų145140.5 Ų140.578%0.77574%0.743SS**  trans-104.5159.6172.4-79.8-59.6000113.4
1169S36.3Very low32.1Very low121 Ų121140.9 Ų140.985%0.84674%0.744SS**  trans-157.1154.8170.5-63.80000112
1170D35.1Very low32.5Very low102 Ų102138.7 Ų138.755%0.54574%0.744SS.*  trans-119.4162.3-152.9-63.7-68.7000118H1151H1151-D1170 VanDerWaalsContact CE1-CG 3.48Å; H1151-D1170 IonicContact CE1-OD1 3.07Å; H1151-D1170 PolarHBondContact CE1-OD1 2.88Å; H1151-D1170 IonicContact CE1-OD2 3.43Å; H1151-D1170 PolarHBondContact CE1-OD2 2.9Å; H1151-D1170 IonicContact CG-OD2 3.69Å; H1151-D1170 IonicContact ND1-OD1 3.27Å; H1151-D1170 PolarHBondContact ND1-OD1 3.15Å; H1151-D1170 IonicContact ND1-OD2 2.72Å; H1151-D1170 PolarHBondContact ND1-OD2 3.39Å
1171D34.5Very low32.1Very low124 Ų124138.6 Ų138.666%0.66374%0.741SS**  trans42.7128.5148.4-118.91.7000124.1
1172R30.5Very low32Very low189 Ų189141.6 Ų141.671%0.71374%0.744SS**  trans84.6136.8142.5-70.7169-157.1-122-6.7124.5
1173N28.7Very low31.7Very low153 Ų153142.7 Ų142.782%0.81875%0.746SS**  trans41.7109.5143.4-67.65.9000120.5
1174S34.4Very low31.5Very low105 Ų105143.9 Ų143.973%0.73475%0.747SS**  -168.9123.995.9590000113.9
1175D30.9Very low31.5Very low157 Ų157143.6 Ų143.684%0.8475%0.754SS**  trans51.3154.6144.3-67.3-51.9000125.2
1176S30.6Very low31.2Very low109 Ų109143.6 Ų143.676%0.76276%0.758SS**  trans68.779.8155.5-65.20000120.3R1178S1176-R1178 PolarHBondContact O-N 3.28Å
1177C25.1Very low31Very low129 Ų129139 Ų13987%0.87276%0.755SS**  15.3102.9120.7-57.40000118.8
1178R28.2Very low30.8Very low248 Ų248139.2 Ų139.294%0.93676%0.755SS**  trans-163.7121.1130.7-114.4176.7178.3178.2-0.9116S1176S1176-R1178 PolarHBondContact O-N 3.28Å
1179I25.8Very low31.1Very low152 Ų152139 Ų13978%0.77975%0.753SS**  trans-69.5153.2146.4-64.5157.8000107.3
1180P37Very low30.8Very low107 Ų107139.1 Ų139.170%0.69574%0.744SS**  cis-137.8175.3928.7-4.7000117.7
1181V25.3Very low30.8Very low118 Ų118143.2 Ų143.272%0.71576%0.76SS**  trans69.6144.6136.11610000122.4
1182H30.2Very low30.6Very low158 Ų158143 Ų14373%0.73177%0.769SS**  trans76.7114.3165.3-72.4-35.1000120.6
1183N29.1Very low30.9Very low135 Ų135139.2 Ų139.272%0.72277%0.766SS**  37.3126.6128.6-54.115.7000120.6
1184H29.5Very low30.8Very low149 Ų149138.3 Ų138.369%0.6976%0.761SS**  trans17.4135.3146-66.6-104.1000119D1186H1184-D1186 IonicContact CE1-OD1 3.49Å; H1184-D1186 PolarHBondContact CE1-OD1 3.46Å; H1184-D1186 IonicContact ND1-OD1 2.86Å; H1184-D1186 PolarHBondContact ND1-OD1 3.47Å; H1184-D1186 IonicContact ND1-OD2 3.36Å; H1184-D1186 PolarHBondContact ND1-OD2 3.36Å
1185P37Very low31Very low128 Ų128139.3 Ų139.383%0.83176%0.763SS**  -120.7143.697.335-34.2000113.6
1186D27.7Very low31.1Very low117 Ų117138 Ų13863%0.62676%0.756SS**  trans-80.9-161.1163.9-47.8-65.7000110.3H1184H1184-D1186 IonicContact CE1-OD1 3.49Å; H1184-D1186 PolarHBondContact CE1-OD1 3.46Å; H1184-D1186 IonicContact ND1-OD1 2.86Å; H1184-D1186 PolarHBondContact ND1-OD1 3.47Å; H1184-D1186 IonicContact ND1-OD2 3.36Å; H1184-D1186 PolarHBondContact ND1-OD2 3.36Å
1187V33Very low31.2Very low135 Ų135140.1 Ų140.182%0.81876%0.758SS**  trans88.1121.1179-172.90000114.7
1188L30Very low31.6Very low142 Ų142141.4 Ų141.474%0.74375%0.749SS**  cis179.9179.4-30.1-110.8165.2000107.3
1189L33.5Very low31.7Very low141 Ų141135.6 Ų135.674%0.73874%0.737SS**  trans72.3135.5166.2-45.1-175.6000115
1190N31.6Very low32.3Very low123 Ų123135.7 Ų135.766%0.65874%0.739SS**  cis-140.5174.3-15.8-69.7-44.7000105.5
1191E33.6Very low32.4Very low188 Ų188135.1 Ų135.188%0.87974%0.737SS**SBendcis-131.6163.111.3-71.8178.6126.100107.6
1192S31Very low32.8Very low120 Ų120137 Ų13784%0.83975%0.749SS**  cis-117.8146.126.445.60000115.3
1193V36.8Very low32.9Very low109 Ų109132 Ų13266%0.66174%0.741SS**  trans-74.9146.8177.8170.80000111.3
1194D27.7Very low33Very low134 Ų134137 Ų13772%0.71775%0.749SS**  trans-26.7152.3170.8-52.6-85000118
1195T37.5Very low33.1Very low126 Ų126138.2 Ų138.277%0.77376%0.755SS**  -153.8109.7118.616.40000112.2
1196N32.2Very low32.8Very low131 Ų131138 Ų13870%0.70175%0.751SS**  trans57.1141.2132.6-65-34.8000121.1
1197L34.3Very low33.1Very low152 Ų152139.4 Ų139.480%0.79676%0.758SS**  cis-171.2170.1-13.8-162.470000107.8
1198K32.1Very low33.1Very low156 Ų156139 Ų13968%0.67875%0.751SS**  trans86.4150174.4-62.7-173.2173.7-170.60115.8
1199D30.3Very low33.2Very low127 Ų127139.7 Ų139.768%0.67975%0.748SS**  cis-107.4148.8-3.1-87.6-44.1000111.7
1200D39.2Very low33.2Very low154 Ų154138.2 Ų138.282%0.82475%0.745SS**  trans-147.5155.8172.1-16815.7000111.9
1201S38.5Very low33.6Very low95 Ų95137.2 Ų137.266%0.66475%0.745SS**  trans70.4130.3173.680.30000118.5
1202T33.8Very low33.7Very low158 Ų158132.9 Ų132.997%0.96974%0.735SS**  trans-111.9116.2143.539.90000108.5
1203G31.8Very low33.9Very low53 Ų53132.1 Ų132.155%0.54673%0.73SS.*  cis162.7-148.2-7.100000111.7
1204R31.9Very low33.9Very low240 Ų240132.9 Ų132.991%0.90674%0.735SS**  trans71.7115.5-176.9-67.6-178.6169.4-167.4-3.9112.3
1205Q31.5Very low34.3Very low173 Ų173131.7 Ų131.781%0.80874%0.737SS**  cis-149.2177.113.8-55.1-175.522.400112.7
1206V32.1Very low34.1Very low125 Ų125131 Ų13176%0.75874%0.738SS**  trans89.985.5164.1-164.60000118.3
1207L32.8Very low34Very low146 Ų146132.8 Ų132.876%0.76475%0.747SS**  trans68.4119.1141.8-83.569.6000123.6
1208L32.7Very low33.8Very low127 Ų127130.2 Ų130.267%0.66574%0.742SS**  trans88.3115.8138.1-92.265.2000123.6
1209F32.6Very low33.8Very low155 Ų155129.5 Ų129.568%0.6875%0.746SS**  trans6299.8150.1-59.7-59.8000123.1
1210T34.3Very low34.1Very low111 Ų111133 Ų13368%0.68175%0.749SS**  25.4163.9111.651.40000122.9
1211P39.8Very low33.9Very low101 Ų101132.4 Ų132.466%0.65674%0.742SS**  cis-144.1170.1-23.735.5-16.2000117.1
1212S34.7Very low33.8Very low97 Ų97132.4 Ų132.468%0.67874%0.742SS**  152.5135.1117.8-65.10000117.6
1213S35.4Very low33.8Very low105 Ų105132 Ų13273%0.73473%0.734SS**  trans57.4139.4148.552.20000122.3
1214T36.9Very low34Very low125 Ų125135.6 Ų135.677%0.76774%0.74SS**  cis-167.1140.8-917.10000112
1215S35.5Very low34.3Very low108 Ų108130.4 Ų130.476%0.75573%0.728SS**  trans50.2143.8146.961.70000122.8
1216S33.1Very low34.5Very low112 Ų112130.8 Ų130.878%0.78373%0.727SS**  cis-174.7153.2-15.246.60000110.5
1217N32.1Very low34.4Very low168 Ų168129.7 Ų129.790%0.89873%0.725SS**  trans-88.1168.1-177-73.1-15.9000115.3
1218S29.2Very low34.6Very low99 Ų99131 Ų13169%0.69273%0.731SS**  trans-80.9164176.8-35.70000115.3
1219D31.4Very low34.6Very low140 Ų140131.9 Ų131.975%0.74974%0.736SS**  trans50.1107.5148.7-47.3-29.9000120.7
1220R36.5Very low34.5Very low201 Ų201127.6 Ų127.676%0.75873%0.725SS**  176.2145.2102.2-100.2179.9149.787.15.8116.7
1221E36.5Very low34.7Very low141 Ų141124.4 Ų124.466%0.65971%0.706SS**  trans50.5101.6139.8-67.1155.1173.500120.8
1222S36.3Very low34.3Very low95 Ų95126.5 Ų126.566%0.66471%0.707SS**  16.3141.6109.761.10000118.7
1223D33.1Very low34.5Very low151 Ų151125 Ų12581%0.80769%0.694SS**  cis-167.5-170.73.8-125.8-52000112.1
1224D36.9Very low34.8Very low128 Ų128125.2 Ų125.268%0.68469%0.693SS**  trans85.9110.8150.6-98.4-20.9000121.6
1225M36.9Very low34.7Very low131 Ų131124.4 Ų124.465%0.64568%0.684SS**  103.3109.9128.5-71.7-8017100121.8
1226K36.1Very low34.5Very low180 Ų180126.3 Ų126.378%0.78367%0.674SS**  trans68.9107.9145-69.1163.3179.4160.30117
1227S30.8Very low34.6Very low102 Ų102125.4 Ų125.471%0.71366%0.658SS**  74.7106.369.8-178.90000114.1
1228I36Very low34.5Very low173 Ų173125.7 Ų125.789%0.88765%0.646SS**  -148.8148.2121.4-91.8140.5000107.9
1229L33.4Very low34.7Very low147 Ų147125 Ų12577%0.7764%0.638SS**  trans-74.7143.9-161.4-75.5139.7000117.2
1230S30.3Very low34.6Very low65 Ų65122.9 Ų122.946%0.45563%0.633SS.*  trans59.5-175.4152.8-55.20000115H270 M271H270-S1230 VanDerWaalsContact CA-C 3.49Å; M271-S1230 VanDerWaalsContact CG-CB 3.4Å; M271-S1230 VanDerWaalsContact N-C 3.28Å
1231P37.9Very low34.3Very low44 Ų44117.4 Ų117.429%0.28663%0.625SS.*  cis-79-138.41.62.2-1.4000119.5D269 H270 M271 N272D269-P1231 CarbonylContact C-O 3.28Å; D269-P1231 VanDerWaalsContact C-O 3.28Å; D269-P1231 VanDerWaalsContact CA-O 3.3Å; D269-P1231 WeakPolarHBondContact CA-O 3.4Å; D269-P1231 WeakPolarHBondContact CB-O 3.48Å; H270-P1231 HydrophobicContact CB-CG 3.87Å; H270-P1231 PolarHBondContact N-O 3.07Å; H270-P1231 VanDerWaalsContact N-O 3.16Å; H270-P1231 CarbonylContact O-C 3.58Å; H270-P1231 WeakPolarHBondContact O-CA 3.37Å; H270-P1231 WeakPolarHBondContact O-CB 3.35Å; H270-P1231 VanDerWaalsContact O-CD 3.32Å; H270-P1231 WeakPolarHBondContact O-CD 3.5Å; H270-P1231 WeakPolarHBondContact O-CG 3.49Å; M271-P1231 HydrophobicContact CB-CB 4.14Å; M271-P1231 HydrophobicContact CB-CG 4.44Å; N272-P1231 HydrophobicContact CB-CG 4.17Å
1232Q32.1Very low34Very low145 Ų145116.9 Ų116.968%0.67863%0.627SS**  trans-148.3157.2179.1-76.6-178.9-30.600111.4H270H270-Q1232 PolarHBondContact O-N 3.08Å; H270-Q1232 VanDerWaalsContact O-N 3.13Å
1233T38.9Very low33.8Very low66 Ų66119.5 Ų119.541%0.40563%0.632SS.*  trans-39.9163.6153.462.90000114.3K267 F268K267-T1233 WeakPolarHBondContact O-CG2 2.36Å; F268-T1233 VanDerWaalsContact N-CG2 3.26Å; F268-T1233 VanDerWaalsContact O-CG2 3.3Å; F268-T1233 WeakPolarHBondContact O-CG2 3.44Å; F268-T1233 PolarHBondContact O-N 3.39Å
1234P40.7Very low33.9Very low109 Ų109119.4 Ų119.471%0.70863%0.631SS**  cis-144.5-164.74338.1-11.7000114.2
1235N34.2Very low33.9Very low108 Ų108116.6 Ų116.658%0.57861%0.613SS**  cis-172.6121.938.8-159.416000115.1V264V264-N1235 VanDerWaalsContact CG1-O 3.26Å; V264-N1235 WeakPolarHBondContact CG1-O 2.61Å
1236R32.8Very low33.9Very low148 Ų148114.2 Ų114.256%0.55860%0.601SS**  24.5155.2119-114.9-176.8179.9-146.315.2119.1V264V264-R1236 CarbonylContact O-C 3.19Å; V264-R1236 WeakPolarHBondContact O-CA 3.14Å
1237Q34.6Very low33.9Very low92 Ų92111.7 Ų111.743%0.4359%0.59SS.*  cis-164.6133.815.8-176.9169.1-37.500111.6C262 V264C262-Q1237 CarbonylContact O-C 3.57Å; V264-Q1237 WeakPolarHBondContact O-CA 3.42Å; V264-Q1237 PolarHBondContact O-N 2.77Å; V264-Q1237 VanDerWaalsContact O-N 3.14Å
1238R30.1Very low34.1Very low175 Ų175110.3 Ų110.366%0.6658%0.58SS**  trans-41.9150.1-179.43056.4-176.4-157-7.7119.7C262C262-R1238 CarbonylContact O-C 3.04Å; C262-R1238 WeakPolarHBondContact O-CA 3.17Å
1239T34.1Very low33.8Very low84 Ų84108.2 Ų108.252%0.51557%0.571SS.*  trans-156.5155.2154.730.70000112.7P261 C262P261-T1239 WeakPolarHBondContact CB-OG1 3.21Å; C262-T1239 PolarHBondContact N-OG1 3.34Å; C262-T1239 VanDerWaalsContact N-OG1 3.15Å; C262-T1239 PolarHBondContact O-N 3.09Å; C262-T1239 PolarHBondContact O-OG1 2.86Å
1240C27.8Very low33.6Very low95 Ų95107.2 Ų107.264%0.64257%0.566SS**  cis-173.9166.4-42.3-117.40000111.8
1241S31.2Very low33.5Very low86 Ų86110.3 Ų110.360%0.60158%0.578SS**  trans73.7110.9140.3-70.10000123.7
1242D30.9Very low33.4Very low130 Ų130116.3 Ų116.370%0.69560%0.599SS**  63.2140.697.9-52.1-43.7000122.7
1243I32.1Very low33.6Very low151 Ų151117.7 Ų117.777%0.77461%0.606SS**  trans67.1131.3144.5-68.5158.4000118.1
1244L35.1Very low33.4Very low149 Ų149120.3 Ų120.378%0.7862%0.622SS**  trans175137.5132.4-95.6170.9000105.4
1245Q36.4Very low33.1Very low68 Ų68121.6 Ų121.632%0.31862%0.622SS.*  cis-137.6-167.621.4-82.6176.9-77.500107P248P248-Q1245 HydrophobicContact CB-CB 4.3Å; P248-Q1245 WeakPolarHBondContact CB-O 3.3Å; P248-Q1245 WeakPolarHBondContact CG-O 3.25Å
1246E36Very low33Very low82 Ų82121.3 Ų121.338%0.38363%0.629SS.*  cis-174.6175.9-29.9-91.7-179.1-168.700105.2T247T247-E1246 CarbonylContact C-O 3.13Å
1247K36.6Very low33.1Very low127 Ų127121.9 Ų121.955%0.55264%0.635SS**  cis-145.8135.4-23.7-111.9168-168.9142.20104.1
1248S35.2Very low33.3Very low73 Ų73123 Ų12351%0.5165%0.648SS.*  63.8140.181.8109.50000114.2
1249N29.4Very low33.7Very low128 Ų128119.8 Ų119.868%0.68465%0.645SS**  cis-171.8177.7-1.3-127.83.6000112.7
1250N29.3Very low33.6Very low127 Ų127122.9 Ų122.968%0.67966%0.657SS**  trans85.9117.4149.2-66.1-16.1000121.9
1251N29.3Very low34.3Very low130 Ų130124.5 Ų124.570%0.69566%0.66SS**  103.5113.9123.6-81.8-26.6000122.4
1252K34.5Very low34.4Very low169 Ų169128.6 Ų128.674%0.73567%0.674SS**  trans80.8137.1135.8-68.3179.9177.4-1770120.4
1253Q35.6Very low34.9Very low174 Ų174130.1 Ų130.181%0.81368%0.677SS**  trans68.2134.5161.2-67.1157.2-43.100114.1
1254T35.7Very low35.3Very low121 Ų121129.4 Ų129.474%0.74267%0.674SS**  cis-146.1129.612.2-34.10000106
1255L33.6Very low35.4Very low136 Ų136130.4 Ų130.471%0.71268%0.678SS**  41.2130.886.8-62166.4000112.8F1257L1255-F1257 HydrophobicContact CD2-CD2 3.9Å; L1255-F1257 HydrophobicContact CD2-CE2 3.46Å; L1255-F1257 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1257 HydrophobicContact CD2-CZ 4.45Å
1256S33.8Very low35.5Very low103 Ų103134.1 Ų134.172%0.7270%0.695SS**  cis-133.5142.523.7540000112.7
1257F33.8Very low35.6Very low159 Ų159136.7 Ų136.770%0.69771%0.712SS**  47.1136.597.4-62.9-72.7000115.5L1255L1255-F1257 HydrophobicContact CD2-CD2 3.9Å; L1255-F1257 HydrophobicContact CD2-CE2 3.46Å; L1255-F1257 VanDerWaalsContact CD2-CE2 3.46Å; L1255-F1257 HydrophobicContact CD2-CZ 4.45Å
1258T39.5Very low35.6Very low115 Ų115142 Ų14271%0.70675%0.746SS**  cis-133.3134.52449.80000114.1
1259D38Very low35.6Very low109 Ų109145.5 Ų145.558%0.58376%0.758SS**  58.3137.3117.6-38.5-29.9000119.2
1260L32.1Very low36Very low148 Ų148146.4 Ų146.478%0.77576%0.762SS**  61.2135.950.9-62.6168.5000112.1
1261D41.8Very low36.3Very low130 Ų130147.4 Ų147.470%0.69577%0.766SS**  cis-132.6164.917.6-94.2-59.2000115E1263D1261-E1263 HydrophobicContact CB-CG 4.4Å
1262L33.8Very low36.7Very low171 Ų171148.5 Ų148.590%0.89577%0.771SS**  trans-96.372.9158.4-91.8167.6000109.5L1264L1262-L1264 PolarHBondContact O-N 3.38Å
1263E40.8Very low36.9Very low163 Ų163147.2 Ų147.276%0.76277%0.773SS**  trans-70.3115158.9-71.6-163.3135.400107.9D1261D1261-E1263 HydrophobicContact CB-CG 4.4Å
1264L40.4Very low37Very low135 Ų135145.4 Ų145.471%0.70777%0.77SS**  61.875.578.4-67169.6000112.6L1262L1262-L1264 PolarHBondContact O-N 3.38Å
1265I38.2Very low37.1Very low170 Ų170147.1 Ų147.187%0.87277%0.772SS**  -115.899.2128-61.1-175.4000107.5
1266E39Very low37.3Very low146 Ų146148 Ų14868%0.68278%0.777SS**  trans-69.9135.1162.7166.6177.5-163.800109.5
1267N37.3Very low37.6Very low136 Ų136151.8 Ų151.873%0.72778%0.782SS**  trans56.5105.3164.8-56.1-29.4000119.8
1268D36.8Very low38Very low239 Ų239151.1 Ų151.1100%1.27879%0.789SS**  -150.70126.1-148.635.6000109.4

Retrieved 1,268 of 1,268 residues in 367 ms (Link to these results)