A0A5K4F4Q3_SCHMA Loading...

Non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A5K4F4Q3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,640 aa.

>A0A5K4F4Q3_SCHMA|A0A5K4F4Q3
MPSSKLHSYKTKSSNQNISQFKSIDNTDVYSCHSNTVDSKSFESINYNTQKITQLYYPLKHCKITNDNDLLYRTNIQHDKTNGQIKSQLQTLITKVPKSMMHKQIKFMEYVSEGEKKNTGVPTLKNTISPSKQSENKMVSQTKLQTSPLLTSIKHDDQYLKSTLINKPQHSSQVQLTNTTISNHNTLDKSNVNQYMNNNNNDNTQKLNFRHTEPNPIRKISTRNNNNNILNTHSHHSLIPVFQGKSISSTLSMTATIITTTTTTTTTTTTTNNTSVSSCFLSNLALKKNHLGYDLDEYRIKEINKCTSFKETDLTPNYIDNIKSASISDLSRSSLRINHNIINNNNKPIKILPLLNKSSSSGIINTQLNDPSITPDHINNYQPSKITIIRENNNNNIKMNSYPKLPITNRSALKKDAQLCNPNHNNNPSYKSSISQSPLSNISCESLPNVNNSIMKFNSLSTTLNINNNNNNKNQLNIDPDHGLHNNHNHNNHITWKVPDTKEEYNSNEKLEVDHSTSENMMQSTNSSNLNKIGLLKQYNHYKSTPNIMNTTSKRSKTPKLTKFKEDYITHIARPLKPEFLNNNNNINHYNAFISEQDLSDRSAKINVKQYNRSHNELDKLHQIKNENPLNSYQQIIKKKPNGDNDNIDNIQLSTCRHSSYERNLNKKPDEDPINVHSIQPIIIQRHYASKNLHSESPSNHFNGHLSCYPSEESLINDTKVLNGLNNHNHNNNSINDYYNYSQSLPYNYNYNGYNSMNDTKLSRIYRKINHKQPNRILPRRPRSLIQDTYNNHNHHLNLHQLSNELHYKHGHSYNNIYDNLIDHECSSYNESIDGYRSITPNLFRKYDYQQSYNNNNTMNDNISIINDDYNSYDYRCSSSNDIVNQIRTWTKTDHVANFHPDSYIANKRKYKSTYNESYHRLNDLMNFQHNSTEYNLNGTTTITTTSTTTTNNNISSLSYPITSMNIIHSNQSLTTPISIKIHQNDKHINQHDLDHSMSDICSTNSSSLSDHTTNGINYSYPTNSLSLSLNKEKRKENFSNTITTTNNHNSSYSSVCFKHRTLPLVPNSSYEYQHNYHNTILTSSSSSTSTSLSSSQFMTPMVTWRIKDSKEIYYDKKLLRLIEQLPNDKQNSIGLILLAMDVKLFNYNINKSTNTTYHTTTTNNTTHNTTNTTDTTNNSSHIHYSDIFSGGLEYRLREALQLIQPKNKMMNDLDHNHNPNSELNKSYLNKIIDVRSRKNLNESKKPPTNFAKESPKEDGRESGIDPDTLDETSTSMIGNSLSLNDMKCTTNDISNTTEANKPSVITILRRLARYLALRIANKRHSLATANQHVARNAIEEKLLRSRLSELNIDYHHHHPHHDDHLVNSWNSFNSMEINYGTIVNRFDRLHNNTIAVIQLLCQLARRLAILDGQLYCLNKNQYNDNVILLCNSNNDPLLPYNHYTTSLTNDTPKTISNHLLNDFNDKDNDNDDWNSQCELSQIIEQQKRLIIQIKEAQLLRAELETCRHRLLESIPAHIKCDITHNIIDKLGRDFMNDNQLTPATTTTTSNNTTDKTTFKQNITQLKLTSSYTTSKELEQSFNDQQSIMNTTQFLRQRVTEHLIEFLNWFVLSQIFETEIKVDQDLWENIQDELRFELSY
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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
1M30.7Very low30.4Very low242 Ų242159.2 Ų159.2100%1.19283%0.828SS**  01590-90.6-169.9167.600110.6
2P28.3Very low30.3Very low97 Ų97163 Ų16363%0.6383%0.834SS**  trans-87.6168.1175.535-34.2000114.1
3S33.4Very low30.2Very low105 Ų105159.5 Ų159.573%0.73483%0.833SS**  trans-56.9150.8-164.3-35.40000118.4R1236S3-R1236 PolarHBondContact O-NH2 2.85Å
4S28Very low30.3Very low104 Ų104155.4 Ų155.473%0.72782%0.824SS**  -176169.4126.856.90000113
5K33.8Very low30.2Very low183 Ų183155.3 Ų155.380%0.79682%0.824SS**  trans80.388167.1-59.8-175.7-178.8179.70119.5
6L26.1Very low30.4Very low167 Ų167157.9 Ų157.987%0.87483%0.83SS**  trans-68.8144.4141.3-157.686.8000109.5
7H32.9Very low30.3Very low181 Ų181157.6 Ų157.684%0.83883%0.83SS**  trans-158.5152.5155.3-107.865.8000109.3
8S28.7Very low30.3Very low101 Ų101158.6 Ų158.671%0.70683%0.833SS**  trans-125.9138.7-169.256.70000113
9Y32Very low30.2Very low239 Ų239154.4 Ų154.494%0.93782%0.818SS**  trans-137.1155.1162.5-91.3-80.5000111.8
10K29.2Very low30.1Very low201 Ų201154.4 Ų154.487%0.87481%0.813SS**  trans-156.7119.5-161.6-178.3-175.2-177.8-178.10112.2
11T31.7Very low30Very low131 Ų131154.3 Ų154.380%0.80481%0.807SS**  trans-150.9135.4177.622.30000106.7
12K29.2Very low29.9Very low205 Ų205151 Ų15189%0.89179%0.785SS**  cis61.5136.943.1-69.4-168.8172.7-1730112.8
13S28.6Very low30Very low118 Ų118150.9 Ų150.983%0.82579%0.787SS**  cis-99.7-148.5-4.149.20000110.2
14S32.3Very low29.9Very low101 Ų101153.8 Ų153.871%0.70679%0.793SS**  cis-152.1-174.4-0.665.30000111.1
15N27.7Very low29.9Very low154 Ų154155.4 Ų155.482%0.82479%0.793SS**  trans-133.1157.2166.2-72.4-27.1000109.1
16Q33.6Very low29.7Very low198 Ų198153.6 Ų153.693%0.92579%0.792SS**  trans-155.3151.6141.1-115164.6-0.100111.2
17N28.8Very low29.8Very low153 Ų153150.8 Ų150.882%0.81878%0.782SS**  trans-107.7-171.5-174.9-79.8-31.4000111
18I29.9Very low29.6Very low174 Ų174148.7 Ų148.789%0.89278%0.777SS**  trans108.6137.8165.3-60.9158.7000112.5
19S28.5Very low29.5Very low79 Ų79148.8 Ų148.855%0.55277%0.773SS**  cis-174.9150.2-25.9-171.10000109.6
20Q29.4Very low29.3Very low154 Ų154147.4 Ų147.472%0.7277%0.768SS**  trans64.1164.4156.2-75.8157.714.800118
21F27.8Very low29.1Very low154 Ų154142.7 Ų142.768%0.67576%0.76SS**  cis-151.7146.8-6-119.4-41000112.7
22K28.8Very low28.9Very low171 Ų171141.1 Ų141.174%0.74375%0.754SS**  trans42.2115.1147-81.2170.9176.9-178.60124.4
23S30.3Very low28.9Very low95 Ų95139.9 Ų139.966%0.66475%0.751SS**  20.3144.5119.962.20000123.9
24I30.1Very low28.9Very low166 Ų166138.5 Ų138.585%0.85174%0.741SS**  -162.9157.8126.3-101.5155000110.6
25D28.4Very low28.9Very low138 Ų138140.6 Ų140.674%0.73874%0.744SS**  trans-101.6165.5-168.4-52.2-91.4000115.7
26N30.1Very low28.9Very low146 Ų146139.8 Ų139.878%0.78175%0.745SS**  trans162133.2137.9-78.8-19.6000110.8
27T27.4Very low28.9Very low108 Ų108136.2 Ų136.266%0.66374%0.736SS**  55135.480.618.80000114.8
28D29.9Very low28.9Very low136 Ų136135.5 Ų135.573%0.72773%0.733SS**  cis-134.3157.623.1-74.5-59.7000114.3
29V26Very low28.8Very low104 Ų104131.1 Ų131.163%0.6372%0.717SS**  48.9127.783.8-148.90000113.4
30Y27Very low28.8Very low209 Ų209135.9 Ų135.982%0.8273%0.728SS**  cis-142.7165.240.7-78.3-105.3000111.3
31S26.4Very low28.6Very low102 Ų102133.3 Ų133.371%0.71373%0.727SS**  cis75.4138.935.9-137.50000114.5
32C25.7Very low28.7Very low99 Ų99134.3 Ų134.367%0.66973%0.732SS**  cis-144.6160.27-25.40000110.2
33H30.5Very low28.7Very low178 Ų178134 Ų13482%0.82473%0.733SS**  51.8147.195-72.457000117.8
34S28.4Very low28.4Very low89 Ų89133.9 Ų133.962%0.62273%0.732SS**  cis-173.8155.9-6.547.50000114.9
35N32.4Very low28.2Very low145 Ų145132.7 Ų132.778%0.77573%0.726SS**  trans25.2136.5141.4-48.4-14.1000123.8
36T28.5Very low28.1Very low137 Ų137133.1 Ų133.184%0.8473%0.728SS**  -158.8125.5118.125.40000108.2
37V31.9Very low27.9Very low123 Ų123136.8 Ų136.875%0.74573%0.733SS**  82.6113.864.2169.70000112.9
38D29.9Very low27.8Very low138 Ų138139.8 Ų139.874%0.73875%0.745SS**  -163.8146.3107.2-138.9-23000115.2
39S27.2Very low27.7Very low82 Ų82138.6 Ų138.657%0.57374%0.742SS**  trans54.2138.9141.5129.40000122.1
40K28.5Very low27.7Very low180 Ų180142 Ų14278%0.78375%0.752SS**  cis-166.4162.12.7-114.4155.7-162.91540111.9
41S26.5Very low27.7Very low100 Ų100141.3 Ų141.370%0.69975%0.753SS**  trans82.3143.2154.783.90000121
42F28.2Very low27.6Very low175 Ų175142.6 Ų142.677%0.76875%0.75SS**  trans47139.5164.7-59.9-75.4000121.2
43E29.5Very low27.6Very low163 Ų163144.1 Ų144.176%0.76276%0.757SS**  cis-160.8170.3-27.9-136.8179.3-171.100110.8
44S25Very low27.4Very low93 Ų93143.2 Ų143.265%0.6575%0.753SS**  trans-61.5130.2177.445.40000113.5
45I24.6Very low27.2Very low142 Ų142145 Ų14573%0.72876%0.755SS**  65.6119.386.3-62.3163.7000114.9
46N25.8Very low26.9Very low146 Ų146147.6 Ų147.678%0.78176%0.755SS**  trans49.797.8161.3-70.1-30.5000118.8
47Y26.6Very low26.7Very low224 Ų224152.4 Ų152.488%0.87876%0.76SS**  trans-130.9129.2142.2-95.8-78.2000112.6
48N26.4Very low26.6Very low170 Ų170151.2 Ų151.291%0.90975%0.754SS**  trans-99.392.7-178.9-173.422.5000108.2
49T26.6Very low26.5Very low111 Ų111151.6 Ų151.668%0.68176%0.756SS**  trans-137.9134.9-169.9-31.60000112.8
50Q25.2Very low26.5Very low176 Ų176157.6 Ų157.682%0.82277%0.771SS**  trans-84.5138.9176-59.3154-49.100111.2
51K27.2Very low26.5Very low194 Ų194157.1 Ų157.184%0.84377%0.771SS**  trans-167.3107.7147.9-101.1149.7-175.9-176.90106.8
52I25.2Very low26.5Very low129 Ų129158.3 Ų158.366%0.66278%0.779SS**  7390.274.1-63.4164.4000111.4Q54I52-Q54 HydrophobicContact CG2-CG 4.17Å
53T26.5Very low26.4Very low131 Ų131158.8 Ų158.880%0.80478%0.78SS**  trans-113.6117.813319.10000106.3
54Q24.8Very low26.3Very low159 Ų159158.4 Ų158.474%0.74378%0.782SS**  trans-90.4150.6174.5-77.9168.6-4.200109.7I52I52-Q54 HydrophobicContact CG2-CG 4.17Å
55L24.5Very low26.4Very low127 Ų127158.1 Ų158.167%0.66578%0.776SS**  trans140.1129.4158.6-78.8157.9000109.1
56Y26Very low26.5Very low199 Ų199157.7 Ų157.778%0.7878%0.776SS**  cis-155.8127.9-28-154.6-100.3000107.7
57Y24.3Very low26.8Very low239 Ų239157.8 Ų157.894%0.93778%0.776SS**  trans-115.9114.1-175.7-101-76.9000112.6
58P29.1Very low26.8Very low97 Ų97153.8 Ų153.863%0.6377%0.77SS**  trans-118.7133.7158.234.6-23000111.6
59L29.2Very low27.1Very low147 Ų147152.7 Ų152.777%0.7776%0.764SS**  cis-138151.6-8.7-68.1108.6000110
60K27Very low27.2Very low207 Ų207154.4 Ų154.490%0.977%0.768SS**  trans-118.888.3159.1-89.5-170.2174.6-179.70110
61H28.4Very low27.4Very low170 Ų170154.2 Ų154.279%0.78777%0.772SS**  trans-130.489.1170.6-84.1-72.1000111.6
62C26.1Very low27.3Very low126 Ų126155.2 Ų155.285%0.85177%0.772SS**  trans-160.590.3146.8-108.80000107.5
63K25.4Very low27.5Very low184 Ų184159.8 Ų159.880%0.878%0.781SS**  trans-102.688.6178.3-175.8-164.5177.5-161.50108.1T65K63-T65 HydrophobicContact CG-CG2 4.42Å; K63-T65 PolarHBondContact O-N 2.97Å
64I27.5Very low27.6Very low155 Ų155158.8 Ų158.880%0.79578%0.775SS**  trans-82.8105.1170.3-58.2177000107.3
65T28.8Very low27.6Very low87 Ų87158.2 Ų158.253%0.53478%0.777SS.*  trans-92.7124.7165.633.70000108.9K63 D67K63-T65 HydrophobicContact CG-CG2 4.42Å; K63-T65 PolarHBondContact O-N 2.97Å; T65-D67 PolarHBondContact O-N 3.49Å
66N26Very low27.8Very low134 Ų134159 Ų15972%0.71778%0.78SS**  trans-68.6125.3162.5-75.61.9000108.4
67D31.5Very low27.9Very low148 Ų148156.8 Ų156.879%0.79178%0.777SS**  trans-142.488.9158.6-78-58.8000107.4T65T65-D67 PolarHBondContact O-N 3.49Å
68N26.5Very low28.2Very low140 Ų140152.3 Ų152.375%0.74976%0.764SS**  trans-91.8114.2163.8-84.1-8.6000107
69D33.1Very low28.2Very low147 Ų147151.6 Ų151.679%0.78676%0.755SS**  trans-161.9123.2145.3-107.8-26.3000113.5
70L28.5Very low28.2Very low146 Ų146151.4 Ų151.476%0.76475%0.748SS**  trans30.2114.7139-60.9166.9000119.7
71L30.1Very low28.4Very low172 Ų172147.4 Ų147.490%0.90174%0.741SS**  -170.7144.398-101.2163.9000114.4
72Y25.2Very low28.3Very low215 Ų215147.3 Ų147.384%0.84375%0.746SS**  trans-73.9150.8171.4-91.2-116.5000112.2
73R28.2Very low28.5Very low225 Ų225145 Ų14585%0.84975%0.745SS**  -176.5139.2107.2-102.7-175175.7-163.7-2.1117
74T29.7Very low28.6Very low110 Ų110145.1 Ų145.168%0.67575%0.748SS**  trans56100.2146.654.70000121.7
75N24.8Very low28.7Very low147 Ų147144.7 Ų144.779%0.78675%0.746SS**  16.3139.2114.8-43.2-1.7000119.1
76I28.7Very low28.8Very low145 Ų145149.8 Ų149.874%0.74476%0.761SS**  176120.4107.6-92.5170000113.8
77Q28.3Very low28.8Very low152 Ų152148.2 Ų148.271%0.7176%0.76SS**  trans57.5120.5141.1-64.2-176-67.900126.1
78H29.2Very low28.7Very low144 Ų144150.4 Ų150.467%0.66777%0.766SS**  87.9126.6121.4-78.2-58.6000125.6
79D29.3Very low28.7Very low83 Ų83150.7 Ų150.744%0.44477%0.766SS.*  85.498.9125.2-74.811000124.4Y1073D79-Y1073 WeakPolarHBondContact CA-OH 3.34Å; D79-Y1073 PolarHBondContact N-OH 2.89Å
80K30.3Very low28.5Very low142 Ų142152 Ų15262%0.61777%0.768SS**  103.9152.7104.5-83.3172.8-171.4149.70122.5Y1073K80-Y1073 PolarHBondContact N-OH 3.07Å
81T30.5Very low28.5Very low124 Ų124149.5 Ų149.576%0.76176%0.759SS**  trans76.195.6151.936.10000120.8
82N26.8Very low28.4Very low167 Ų167149 Ų14989%0.89376%0.756SS**  24.8119.7121.7-64.7-2.1000118.9
83G30.7Very low28.4Very low79 Ų79145.3 Ų145.381%0.81475%0.749SS**  trans-150.1104.6160.900000111.6
84Q27.1Very low28.6Very low185 Ų185141 Ų14186%0.86475%0.748SS**  trans-68.2153.4162.4-61171.1-12.500109.1
85I29Very low28.6Very low146 Ų146145.2 Ų145.275%0.74976%0.757SS**  173.2119.9127-91.1157.4000112.8
86K30.6Very low28.8Very low195 Ų195143.3 Ų143.385%0.84875%0.75SS**  trans41.8144.7138.4-52.1173-178.5171.30121.9
87S26.1Very low28.8Very low101 Ų101142.8 Ų142.871%0.70676%0.756SS**  trans-89.6151174.548.10000114.6
88Q30.2Very low28.8Very low194 Ų194144.6 Ų144.691%0.90776%0.762SS**  trans-141.2115.4148.5-63.9-172.7-2.900104.8
89L25.2Very low28.8Very low146 Ų146143 Ų14376%0.76477%0.767SS**  cis79.313633-141.4-176.3000112.3
90Q30Very low28.8Very low175 Ų175147.5 Ų147.582%0.81879%0.788SS**  trans102142.8171.3-59-168.9-13.200116.9
91T28.1Very low28.8Very low93 Ų93149.1 Ų149.157%0.57180%0.799SS**  cis-164.7170.4-17.2-860000109.3I93T91-I93 HydrophobicContact CG2-CD1 4.33Å
92L28.5Very low28.6Very low160 Ų160150.5 Ų150.584%0.83880%0.797SS**  trans98.998.1174.1-58164.1000113.5
93I25.9Very low28.9Very low138 Ų138152.8 Ų152.871%0.70880%0.799SS**  cis75.884.117.4-45.1179.7000116.3T91T91-I93 HydrophobicContact CG2-CD1 4.33Å
94T30.7Very low28.7Very low135 Ų135155.9 Ų155.983%0.82879%0.792SS**  trans-173.4135.3142.426.20000108.1
95K30.2Very low28.8Very low198 Ų198155 Ų15586%0.86179%0.792SS**  cis-129.6164.5-4.8-65179.1179.9174.80109.2
96V29.8Very low28.8Very low107 Ų107156 Ų15665%0.64879%0.791SS**  trans-135.1138.4-179.1-171.80000110K98V96-K98 HydrophobicContact CB-CG 4.25Å; V96-K98 HydrophobicContact CG1-CG 4.14Å; V96-K98 PolarHBondContact O-N 3.47Å
97P27.9Very low28.5Very low134 Ų134154.5 Ų154.587%0.8778%0.784SS**  trans-72.795.6158.5-10.327.6000109.2
98K28Very low28.7Very low191 Ų191158 Ų15883%0.8379%0.792SS**  trans-90.6121.3176.7-77.6-175.3176.7-179.20111.2V96V96-K98 HydrophobicContact CB-CG 4.25Å; V96-K98 HydrophobicContact CG1-CG 4.14Å; V96-K98 PolarHBondContact O-N 3.47Å
99S29.1Very low28.6Very low111 Ų111156 Ų15678%0.77678%0.782SS**  trans-165.8130.6154.5-162.60000107.7
100M30.4Very low28.9Very low176 Ų176159.6 Ų159.687%0.86779%0.788SS**SBendcis-118.2169.96.3-73175.357.300113.5
101M30.4Very low29Very low176 Ų176156.6 Ų156.687%0.86778%0.781SS**  trans-73.4146.5178.5-65.7174.2-89.900111.7
102H26.4Very low29.2Very low154 Ų154157.5 Ų157.571%0.71379%0.791SS**  66.4110.559.3-115.977.1000114.8Q104H102-Q104 PolarHBondContact NE2-NE2 2.86Å; H102-Q104 VanDerWaalsContact NE2-NE2 3.16Å
103K31.9Very low29.3Very low214 Ų214158.8 Ų158.893%0.9379%0.793SS**  trans-146.9137.2148.9-124.8177.1-177.2-179.10109.2
104Q27.1Very low29.6Very low144 Ų144155.8 Ų155.867%0.67380%0.796SS**  trans-122.4152.7-179.7-59.4173.62.600108.9H102H102-Q104 PolarHBondContact NE2-NE2 2.86Å; H102-Q104 VanDerWaalsContact NE2-NE2 3.16Å
105I30.1Very low29.7Very low166 Ų166158 Ų15885%0.85180%0.796SS**  trans-175.9116.1144.3-91.9144.1000104.5
106K27.4Very low29.8Very low167 Ų167157 Ų15773%0.72679%0.792SS**  85.2102.157.7-97.9-125.6166.4-168.80114.6
107F25.6Very low30Very low164 Ų164160.7 Ų160.772%0.71980%0.8SS**  trans48.1127145.4-66.4-101.5000120.7
108M29.3Very low30.2Very low175 Ų175161.4 Ų161.486%0.86280%0.796SS**  -150157.3113.6-142.163170.700110.4
109E27.9Very low30.5Very low152 Ų152159 Ų15971%0.7180%0.798SS**  trans-134.5132.6-172.1167.3-176.4-162.100108.3
110Y32.4Very low30.8Very low222 Ų222156.9 Ų156.987%0.87179%0.793SS**  trans-154.8161.6167.7-98.8-66.9000112.9
111V31.6Very low30.7Very low112 Ų112154.8 Ų154.868%0.67979%0.79SS**  trans-138.2144-156.2173.50000111.8
112S33.2Very low31Very low111 Ų111152.5 Ų152.578%0.77679%0.788SS**  trans172.1133.4147.2-74.30000108
113E29.3Very low31Very low188 Ų188151.1 Ų151.188%0.87979%0.791SS**  cis90.413342.5-72.6-149139.800115.6
114G32.7Very low31.1Very low75 Ų75147.4 Ų147.477%0.77378%0.78SS**  trans103142.4-18000000114.4
115E33Very low31.2Very low180 Ų180149 Ų14984%0.84179%0.785SS**  cis-152.1-174.5-1.3-93.5-126.9108.900111.7
116K32.4Very low31.3Very low179 Ų179147.3 Ų147.378%0.77878%0.778SS**  trans-118.9157.5-164-53.2157.7-177.6161.30114.9
117K34.7Very low31.4Very low184 Ų184144 Ų14480%0.877%0.772SS**  trans177.1131.4137.5-88.9137.9-159160.30109.5
118N32.3Very low31.7Very low148 Ų148144 Ų14479%0.79178%0.777SS**  61.6135.472.1-74.86.4000113.5
119T33.7Very low31.8Very low141 Ų141139 Ų13987%0.86576%0.76SS**  cis-160177.35.74.40000108.5
120G34.4Very low32.1Very low66 Ų66135.5 Ų135.568%0.6875%0.75SS**  cis-171.3-145.212.600000112
121V29.1Very low32.1Very low133 Ų133127.6 Ų127.681%0.80673%0.727SS**  trans-143.8156.4-175.5-158.40000111.6
122P35.5Very low32.2Very low127 Ų127127.8 Ų127.883%0.82572%0.719SS**  -148176.5119.538.8-22.7000116.4
123T28.4Very low32.1Very low125 Ų125129.8 Ų129.877%0.76772%0.716SS**  trans-137.7162.3175.4-39.80000108.8
124L32.2Very low32.2Very low137 Ų137125.4 Ų125.472%0.71771%0.707SS**  trans158.8135.8146.7-85.7158.2000114.3
125K29.3Very low32.1Very low177 Ų177129.8 Ų129.877%0.7771%0.707SS**  trans44.4157.8133.2-63.6-174.6-165.3173.30121.2
126N32.2Very low32Very low130 Ų130126.6 Ų126.670%0.69570%0.696SS**  cis-170.3-177.62.7-115.137000108
127T29.9Very low32Very low99 Ų99126.3 Ų126.361%0.60769%0.694SS**  cis-177.6165.9-37.539.10000110.9
128I32Very low31.9Very low162 Ų162125.8 Ų125.883%0.83170%0.697SS**  trans92143.4153.7-71.2152.5000121.4
129S30.7Very low31.6Very low70 Ų70124.2 Ų124.249%0.4969%0.692SS.*  trans-108.8-148.7172.7-35.50000111.7F593S129-F593 VanDerWaalsContact CB-O 3.25Å; S129-F593 WeakPolarHBondContact CB-O 3.25Å; S129-F593 PolarHBondContact OG-O 3.28Å
130P36Very low31.6Very low80 Ų80122.6 Ų122.652%0.51969%0.687SS.*  cis-128.1-155.6-0.940.3-16.9000113.4F593 I594 S595P130-F593 HydrophobicContact CB-CB 3.34Å; P130-F593 HydrophobicContact CB-CD2 3.46Å; P130-F593 VanDerWaalsContact CB-CD2 3.46Å; P130-F593 HydrophobicContact CB-CG 3.71Å; P130-F593 HydrophobicContact CG-CD2 4.49Å; P130-I594 CarbonylContact C-O 3.55Å; P130-I594 WeakPolarHBondContact CA-O 3.37Å; P130-S595 PolarHBondContact O-OG 2.88Å; P130-S595 VanDerWaalsContact O-OG 3.07Å
131S31.3Very low31.3Very low55 Ų55127.5 Ų127.539%0.38569%0.692SS.*  cis-175.4167.810.7101.20000109.1S595S131-S595 PolarHBondContact N-OG 3Å
132K33.2Very low31.5Very low117 Ų117127.1 Ų127.151%0.50969%0.69SS.*  cis171.2158.93167.9-176.4177.6-120.30112.4F593K132-F593 HydrophobicContact CB-CD1 4.26Å; K132-F593 HydrophobicContact CB-CE1 3.63Å; K132-F593 HydrophobicContact CB-CZ 3.85Å; K132-F593 HydrophobicContact CD-CE1 4.22Å; K132-F593 HydrophobicContact CD-CE2 4.36Å; K132-F593 HydrophobicContact CD-CZ 3.64Å; K132-F593 HydrophobicContact CG-CE1 3.7Å; K132-F593 HydrophobicContact CG-CZ 3.66Å
133Q31.8Very low31.2Very low152 Ų152129.2 Ų129.271%0.7169%0.686SS**  trans76.4164.4163.1-88.3163.9-65.200120.2
134S30.8Very low31.3Very low97 Ų97129.7 Ų129.768%0.67868%0.683SS**  cis-166.9156.8-8.244.10000115.4
135E31.4Very low31.1Very low167 Ų167131 Ų13178%0.7869%0.686SS**  trans19.8153.1148.9-46.6-175.917600123.3
136N32Very low31.3Very low113 Ų113128.9 Ų128.960%0.60469%0.688SS**  -176.5178.358.1-125.4-56.7000117.2
137K30.4Very low31.2Very low172 Ų172127.5 Ų127.575%0.74869%0.688SS**  trans-42.3152.2-176.6-59.5143.2-175.9157.20122.8
138M32.6Very low31.3Very low174 Ų174128.2 Ų128.286%0.85769%0.694SS**  170138.3117.8-91.6176.462.300109.9
139V28Very low31Very low114 Ų114126.7 Ų126.769%0.69169%0.687SS**  cis98.2101.729.6176.10000115
140S33.4Very low30.8Very low107 Ų107130.7 Ų130.775%0.74870%0.703SS**  trans174.2123.3144.9-77.90000109.3
141Q28.4Very low30.4Very low169 Ų169132.4 Ų132.479%0.7971%0.712SS**  54.8126.881.1-59.5-164.630.500113.2
142T32.5Very low30Very low125 Ų125134 Ų13477%0.76772%0.723SS**  cis-137149.842.433.20000113.7
143K28Very low29.6Very low172 Ų172136.1 Ų136.175%0.74874%0.738SS**  45.713287.8-67.2179.4177.3173.60113.6
144L31.2Very low29.3Very low134 Ų134137.5 Ų137.570%0.70274%0.742SS**  cis-148.9152.144.4-73162.2000114.5
145Q28.6Very low29.1Very low165 Ų165140.3 Ų140.377%0.77174%0.744SS**  trans40148.1132.6-62.7170.1-27.800122
146T33.4Very low28.9Very low132 Ų132138.1 Ų138.181%0.8174%0.737SS**  cis-132.7141.68.828.80000112.9
147S29.9Very low28.7Very low101 Ų101139.3 Ų139.371%0.70674%0.744SS**  trans-88.7172.9150.6-47.40000109.4
148P32.1Very low28.5Very low114 Ų114138.3 Ų138.374%0.7474%0.742SS**  -141.6132.89237.8-22.4000113.5
149L26.6Very low28.2Very low130 Ų130139.1 Ų139.168%0.68174%0.737SS**  77.2138.1104.4-82.760.8000113.5
150L25.4Very low28Very low155 Ų155140.4 Ų140.481%0.81274%0.739SS**  52.8137.172.1-69.674.2000110.8
151T26.8Very low27.6Very low116 Ų116144 Ų14471%0.71274%0.741SS**  cis-150.1179.14945.60000113.8
152S24.6Very low27.3Very low88 Ų88140.4 Ų140.462%0.61574%0.735SS**  trans60.3105.9152.5450000116.6
153I23.6Very low27Very low161 Ų161140.4 Ų140.483%0.82673%0.734SS**  53.899.966.3-50.3163.2000111.1
154K25.2Very low26.9Very low182 Ų182137.7 Ų137.779%0.79173%0.728SS**  -158.1129.9120.7-110.3179.3-179.2-165.30111
155H28.2Very low26.6Very low155 Ų155137.6 Ų137.672%0.71873%0.727SS**  trans-59.9147.4143.6-87.2-113.2000107.7D157H155-D157 IonicContact ND1-OD2 2.78Å; H155-D157 PolarHBondContact ND1-OD2 3.16Å; H155-D157 VanDerWaalsContact ND1-OD2 3.08Å
156D26.1Very low26.5Very low121 Ų121137.3 Ų137.365%0.64773%0.73SS**  trans-151.9102.4136.5-97.3-48.1000107.9Q158D156-Q158 PolarHBondContact O-N 3.31Å
157D28.6Very low26.1Very low139 Ų139136.3 Ų136.374%0.74372%0.715SS**  trans-68.990.6174.9-73.9-88.5000109.8H155H155-D157 IonicContact ND1-OD2 2.78Å; H155-D157 PolarHBondContact ND1-OD2 3.16Å; H155-D157 VanDerWaalsContact ND1-OD2 3.08Å
158Q25.9Very low26.1Very low150 Ų150138.1 Ų138.170%0.70172%0.724SS**  trans-125.6102.1179.9-70.8-150.413.700114.7D156D156-Q158 PolarHBondContact O-N 3.31Å
159Y25.2Very low25.7Very low191 Ų191137.5 Ų137.575%0.74971%0.711SS**  trans57.7120.4147.2-62.7-89.1000118.4
160L24.3Very low25.9Very low142 Ų142139.9 Ų139.974%0.74372%0.718SS**  49.873.574.8-68166.5000114.2
161K24.3Very low25.9Very low182 Ų182136 Ų13679%0.79171%0.705SS**  -165.1145.3128.7-96.7140.4-170.4174.20110
162S23Very low25.8Very low94 Ų94135.3 Ų135.366%0.65770%0.704SS**  cis76.446.616.2-38.30000115.9
163T27.1Very low25.8Very low124 Ų124139.1 Ų139.176%0.76171%0.712SS**  trans-129.198.2157.63.40000105.9
164L24.5Very low25.8Very low115 Ų115136.8 Ų136.860%0.60271%0.705SS**  cis66.4128.727.9-132.3172.2000110.8K167L164-K167 HydrophobicContact CD2-CD 4.49Å
165I25.3Very low25.7Very low133 Ų133136 Ų13668%0.68270%0.704SS**  trans75.2132.8-177.9-48.9149.9000111
166N26.6Very low25.5Very low159 Ų159136.2 Ų136.285%0.8571%0.71SS**  cis-87.6117.511.6-76.7-29.7000115.2
167K25.9Very low25.5Very low111 Ų111135.9 Ų135.948%0.48371%0.712SS.*  trans-82.6144.3145.8-58.6139.592.4179.90106.4L164 Q169L164-K167 HydrophobicContact CD2-CD 4.49Å; K167-Q169 HydrophobicContact CB-CB 3.77Å; K167-Q169 HydrophobicContact CD-CB 4.33Å; K167-Q169 PolarHBondContact O-N 3.45Å; K167-Q169 VanDerWaalsContact O-N 3.08Å
168P29Very low25.2Very low138 Ų138135.6 Ų135.690%0.89671%0.711SS**  trans-71.584.9140.330.2-28.6000106.9H170P168-H170 PolarHBondContact O-N 3.28Å
169Q24.4Very low25.3Very low101 Ų101134.1 Ų134.147%0.47271%0.712SS.*  trans-9096.8177.1179-179.9-16.100109.2K167 S171K167-Q169 HydrophobicContact CB-CB 3.77Å; K167-Q169 HydrophobicContact CD-CB 4.33Å; K167-Q169 PolarHBondContact O-N 3.45Å; K167-Q169 VanDerWaalsContact O-N 3.08Å; Q169-S171 PolarHBondContact NE2-OG 2.96Å
170H29.1Very low25.3Very low180 Ų180130 Ų13083%0.83371%0.707SS**  trans-110.878.2152.7-85.5-75.8000110.2P168 S172P168-H170 PolarHBondContact O-N 3.28Å; H170-S172 PolarHBondContact O-N 2.72Å
171S25.6Very low25.4Very low75 Ų75129.1 Ų129.152%0.52470%0.702SS.*  trans-72.496155.9500000109.1Q169Q169-S171 PolarHBondContact NE2-OG 2.96Å
172S25.3Very low25.6Very low101 Ų101125.3 Ų125.371%0.70670%0.699SS**  trans-124.4109.1149.8-600000103.8H170H170-S172 PolarHBondContact O-N 2.72Å
173Q23.7Very low25.9Very low167 Ų167125.7 Ų125.778%0.7869%0.693SS**  cis52.8129.841.7-159.5-170.3-11.500111.2
174V23.6Very low26.1Very low112 Ų112126.6 Ų126.668%0.67969%0.689SS**  trans72131.4-175-164.20000111.2
175Q23.9Very low26.2Very low165 Ų165127.4 Ų127.477%0.77169%0.693SS**  cis-132.31556.6-145.8134.42.100113.4T177Q175-T177 PolarHBondContact O-N 3.32Å
176L24.9Very low26.2Very low161 Ų161126.1 Ų126.184%0.84369%0.692SS**  trans-68.4115.9150.9-81.2153.1000109.1
177T24.6Very low26.3Very low113 Ų113126 Ų12669%0.69369%0.69SS**  trans-144133.1145.3280000104.8Q175Q175-T177 PolarHBondContact O-N 3.32Å
178N24.1Very low26.2Very low133 Ų133127.4 Ų127.471%0.71170%0.703SS**  55130.965.4-59-11.1000108.8
179T26Very low26.3Very low119 Ų119129.3 Ų129.373%0.7370%0.697SS**  cis-173.4148.831.84.40000104.5
180T26.3Very low26.3Very low105 Ų105129.1 Ų129.164%0.64471%0.707SS**  cis-172.4-169.6-5.111.40000108
181I26.3Very low26.1Very low123 Ų123127.4 Ų127.463%0.63170%0.704SS**  18.4125128.9-55.7158.2000114.6
182S27.9Very low26.2Very low103 Ų103129 Ų12972%0.7271%0.711SS**  cis-134130.339.9-105.50000111.6
183N29Very low26.3Very low101 Ų101129.8 Ų129.854%0.5471%0.707SS.*  93.9151.851.1-77.111.1000112.3
184H31.3Very low26.5Very low144 Ų144128.4 Ų128.467%0.66770%0.7SS**  trans72.7131.8158.4-53-48.4000118.8
185N28.2Very low26.7Very low131 Ų131131.2 Ų131.270%0.70170%0.7SS**  cis-154.2156.1-30.7-124.78000112.4
186T25.4Very low26.9Very low106 Ų106130.2 Ų130.265%0.6570%0.697SS**  trans-32.3130.6150.753.50000115
187L26.8Very low27.1Very low156 Ų156128 Ų12882%0.81769%0.686SS**  -169.8116.9113.9-114.658000105.5
188D25.4Very low27.4Very low141 Ų141128.4 Ų128.475%0.75468%0.684SS**  79.1165.666.4-155.212.7000112.8
189K29.9Very low27.8Very low179 Ų179127.8 Ų127.878%0.77868%0.681SS**  trans-83.1175.6-162.4-63.8162.2-178.2162.90113.4
190S25.6Very low28.2Very low96 Ų96128.3 Ų128.367%0.67168%0.679SS**  trans86.6144.3154.684.70000115.4
191N25.4Very low28.6Very low145 Ų145129 Ų12978%0.77568%0.679SS**  trans69.2143.1139-66.90.7000118.5
192V26.8Very low29Very low109 Ų109128.5 Ų128.566%0.66168%0.677SS**  cis-163.6156.3-18.279.80000108.8
193N27Very low29.3Very low117 Ų117130.4 Ų130.463%0.62668%0.679SS**  trans64.3156.4158.1-71.1-9.8000121.1
194Q28Very low29.3Very low138 Ų138130.1 Ų130.165%0.64568%0.682SS**  trans71143.6143.4-76.3158.222.800118.3
195Y27.3Very low29.2Very low171 Ų171130.8 Ų130.867%0.67169%0.685SS**  cis-153.2147.47.3-117.6-46.6000111.6
196M28.8Very low29.1Very low144 Ų144133.1 Ų133.171%0.70969%0.689SS**  trans62.9149.9155.6-55.4-45.8-163.500118.4
197N29.3Very low29.3Very low113 Ų113135 Ų13560%0.60469%0.694SS**  cis-154.5152.5-6.2-128.7-2.5000111.4
198N29.9Very low29.2Very low122 Ų122134.6 Ų134.665%0.65269%0.693SS**  trans38.1124.5134.1-65.35.2000119.1
199N33.6Very low29.4Very low121 Ų121136 Ų13665%0.64769%0.692SS**  cis-168.5147.439.7-98.9-21000112.7
200N34Very low29.2Very low130 Ų130136.8 Ų136.870%0.69569%0.691SS**  59.8137.8129.2-56.78.4000120.9
201N35Very low29.3Very low120 Ų120139.8 Ų139.864%0.64269%0.693SS**  cis-150.7148.24.5-111.420000112.8
202D34.6Very low29.5Very low111 Ų111139.1 Ų139.159%0.59470%0.695SS**  trans25.7126.9136.2-35.6-35.3000119.5
203N34.1Very low29.5Very low143 Ų143141.3 Ų141.377%0.76570%0.698SS**  cis-156.6132.139.7-78.5-86.4000110.5
204T28.7Very low29.8Very low96 Ų96141.7 Ų141.759%0.58971%0.707SS**  63.7116.359.453.90000118.2
205Q29.2Very low29.7Very low157 Ų157141.1 Ų141.173%0.73471%0.708SS**  trans81.9121.5137.2-68.3-179.591.600122.3
206K25.6Very low30Very low180 Ų180138.5 Ų138.578%0.78371%0.712SS**  24120.8123.3-58.1170.7177.41730117.7
207L30Very low29.9Very low147 Ų147138.5 Ų138.577%0.7771%0.713SS**  -167.5134.7113.9-86.4139.6000105.8F209L207-F209 HydrophobicContact CD2-CE2 4.05Å
208N24.8Very low30Very low146 Ų146144.9 Ų144.978%0.78173%0.729SS**  68152.664.9-107.5-4.4000114.8
209F30.5Very low29.9Very low171 Ų171147.6 Ų147.675%0.7574%0.735SS**  trans75.2149.6-172.6-52.6-76.9000116L207L207-F209 HydrophobicContact CD2-CE2 4.05Å
210R25.7Very low29.8Very low196 Ų196149.6 Ų149.674%0.7474%0.744SS**  cis166.6125.6-38.9-112.3-168.4179.3-166.60.7106.7
211H26.3Very low29.5Very low158 Ų158147.8 Ų147.873%0.73174%0.741SS**  trans60.3171.2167.8-49.7-66.7000114.4
212T30.7Very low29.4Very low132 Ų132148.4 Ų148.481%0.8175%0.75SS**  cis-146.8161.39.2-33.50000110.3
213E26.4Very low29Very low155 Ų155153 Ų15372%0.72476%0.759SS**  trans-67.7170.6164.6-53.1-170.2150.600112
214P32.6Very low28.9Very low124 Ų124151.3 Ų151.381%0.80575%0.75SS**  -148.3151.692.338-21.3000117.5
215N27.4Very low29.1Very low127 Ų127152.5 Ų152.568%0.67975%0.753SS**  trans-74.8156.8155.3-81.3-86.2000110.7
216P33.9Very low29.2Very low116 Ų116150.7 Ų150.775%0.75375%0.748SS**  -158.1129.2102.236.7-15.8000119.2
217I26.6Very low29.7Very low143 Ų143148.6 Ų148.673%0.73375%0.745SS**  18.5124.7124.2-53166.2000119.8
218R30.4Very low29.7Very low248 Ų248147.6 Ų147.694%0.93674%0.74SS**  trans-175.5173133.5-102.2170.7-161.2-147.26.3111
219K27.5Very low29.9Very low178 Ų178146.9 Ų146.977%0.77474%0.735SS**  -163.9166.4-77.4-142177.8-175.2-178.80107.5
220I31.9Very low29.8Very low164 Ų164145.4 Ų145.484%0.84174%0.735SS**  trans77154.8168.4-53.1150.7000115.3
221S26.7Very low29.9Very low91 Ų91142 Ų14264%0.63673%0.731SS**  cis-174158.9-45.7-158.40000111.6
222T33.1Very low30.2Very low133 Ų133139.3 Ų139.382%0.81673%0.726SS**  trans60.9170.3162.657.80000120.5
223R27.3Very low30.1Very low209 Ų209141.1 Ų141.179%0.78973%0.725SS**  -172.5149.8-53.7-158.9-166.6167.9153.52.4110.2
224N31Very low30.4Very low106 Ų106137.8 Ų137.857%0.56772%0.719SS**  trans75.8142.8149.1-97.732.3000121
225N32.7Very low30.4Very low122 Ų122139 Ų13965%0.65271%0.713SS**  trans70.9151.1144.8-64.215000118.4
226N33.1Very low30.7Very low118 Ų118141 Ų14163%0.63172%0.718SS**  cis-166.4166-10-109.52.4000109.5
227N34.2Very low30.6Very low137 Ų137139.9 Ų139.973%0.73371%0.713SS**  trans66.5163.4148.3-71.3-0.7000119.3
228N31.5Very low30.8Very low125 Ų125140.4 Ų140.467%0.66872%0.717SS**  cis-168.7168.2-42.9-133-14.9000110.2
229I28.5Very low30.7Very low131 Ų131135.8 Ų135.867%0.67271%0.709SS**  trans68104.4142.4-72166.2000120.6
230L27.5Very low30.8Very low141 Ų141132.5 Ų132.574%0.73871%0.706SS**  80.3153.1111.4-151.876.6000122.5
231N28.6Very low30.6Very low125 Ų125130.8 Ų130.867%0.66870%0.703SS**  trans72.8148.7160.9-78.5-13.2000117.8
232T32.5Very low30.6Very low100 Ų100136.3 Ų136.361%0.61372%0.716SS**  cis-161.2150.7-0.912.60000110.6
233H29.1Very low30.3Very low171 Ų171136.7 Ų136.779%0.79271%0.708SS**  trans45.4141.5136.6-67.764.2000120.6
234S31.5Very low30.4Very low85 Ų85130 Ų13059%0.59471%0.705SS**  cis177.817711.741.30000113.4
235H33.9Very low30.3Very low150 Ų150133.1 Ų133.169%0.69471%0.713SS**  trans79.4117.9149.8-72-58.8000123.4
236H33Very low30.1Very low168 Ų168132.4 Ų132.478%0.77872%0.717SS**  trans62146.7143.7-61.8-57.1000120.6
237S32.3Very low29.9Very low93 Ų93133.4 Ų133.465%0.6572%0.721SS**  cis-164.4156.1-3.1440000112.9
238L30.3Very low29.5Very low154 Ų154132.1 Ų132.181%0.80672%0.723SS**  trans67.1115.5166.9-59.6160.5000116.2
239I29Very low29.3Very low150 Ų150130.9 Ų130.977%0.76972%0.724SS**  cis77128.636.4-55.2178.7000112.1
240P29.6Very low29.1Very low110 Ų110130.6 Ų130.671%0.71473%0.729SS**  cis-117.7131.720.136.2-22.8000117.6
241V27.4Very low29.1Very low128 Ų128131.8 Ų131.878%0.77674%0.735SS**  trans-95.3131.5147.4171.30000107.4Q243V241-Q243 PolarHBondContact O-N 2.9Å; V241-Q243 VanDerWaalsContact O-N 3.08Å
242F27.4Very low28.8Very low206 Ų206130.8 Ų130.890%0.90474%0.738SS**  trans-80.890.7178.3-123.6-78.4000111.7
243Q26.7Very low28.5Very low141 Ų141134.1 Ų134.166%0.65975%0.749SS**  trans-87.5113.1163.8-74.3-173.9-13.700111.1V241V241-Q243 PolarHBondContact O-N 2.9Å; V241-Q243 VanDerWaalsContact O-N 3.08Å
244G29.5Very low28.3Very low70 Ų70132.2 Ų132.272%0.72275%0.749SS**  trans-93.4109.9130.300000106
245K27.6Very low28.1Very low171 Ų171132.6 Ų132.674%0.74376%0.758SS**  59.3127.161.8-57177.7-176.4-179.50110.9
246S28.6Very low27.7Very low106 Ų106130.6 Ų130.674%0.74176%0.756SS**  cis-142.6142.311.136.70000109.9
247I29.3Very low27.3Very low139 Ų139130 Ų13071%0.71376%0.757SS**  5697.170.1-54.9164.7000108.5
248S25.7Very low27Very low111 Ų111132.4 Ų132.478%0.77676%0.761SS**  76.790.471176.30000114.9
249S28.2Very low26.9Very low98 Ų98130 Ų13069%0.68575%0.753SS**  trans-165132.3149.339.80000106.6
250T24.2Very low26.9Very low125 Ų125128.2 Ų128.277%0.76775%0.749SS**  57.5142.362.4650000113.6
251L26.8Very low26.9Very low166 Ų166128.3 Ų128.387%0.86975%0.748SS**  trans76.9124.6-161.1-54.7151000111.9
252S22.9Very low26.9Very low104 Ų104127.6 Ų127.673%0.72774%0.744SS**  cis80.179.328.1-159.10000114.8
253M26.3Very low26.9Very low171 Ų171122.9 Ų122.984%0.84273%0.732SS**  trans-174140139.5-93.9159.5-16700105.7
254T24.4Very low26.9Very low131 Ų131121.9 Ų121.980%0.80474%0.736SS**  cis64.151.237.775.70000115.4
255A26.6Very low27Very low93 Ų93124 Ų12477%0.76974%0.735SS**  trans-147.4129144.300000107.7
256T26Very low27Very low108 Ų108121.3 Ų121.366%0.66373%0.733SS**  cis110.590.621.5-660000111.5
257I24.9Very low27.1Very low154 Ų154121.7 Ų121.779%0.7973%0.731SS**  trans68.2-175.6147.5-55.2171.4000114.1
258I26.5Very low27Very low144 Ų144120.7 Ų120.774%0.73873%0.732SS**  trans85.5102.2166.4-53.4-178.2000113.7
259T27.3Very low27.2Very low103 Ų103121.4 Ų121.463%0.63273%0.731SS**  cis-163176.6-5.3-4.20000111.3
260T29Very low27.1Very low113 Ų113122.3 Ų122.369%0.69373%0.733SS**  trans56133144540000120.2
261T29.9Very low27.2Very low112 Ų112121.4 Ų121.469%0.68773%0.727SS**  cis-167.1139.3-15.118.80000103.7
262T26.3Very low27.3Very low113 Ų113119.6 Ų119.669%0.69372%0.719SS**  36.1143.389.471.70000114.5
263T27.4Very low27.6Very low108 Ų108120.7 Ų120.766%0.66372%0.716SS**  cis-162.7-177.929.5-27.70000110.7
264T28.1Very low27.6Very low119 Ų119117.8 Ų117.873%0.7371%0.708SS**  trans72.4141.5150.241.70000117.6
265T30.9Very low27.6Very low115 Ų115116.5 Ų116.571%0.70671%0.705SS**  cis-151.1134.93.87.20000107.1
266T27.6Very low27.6Very low115 Ų115118.1 Ų118.171%0.70671%0.705SS**  27133.198.964.30000114.4
267T30.7Very low27.5Very low113 Ų113117.6 Ų117.669%0.69371%0.706SS**  cis-154.8136.943.243.20000108.9
268T26.4Very low27.6Very low119 Ų119114.6 Ų114.673%0.7370%0.698SS**  44.798.370.462.90000116.5
269T30.3Very low27.5Very low125 Ų125113 Ų11377%0.76770%0.698SS**  trans-170.5129.6136.139.40000106.4
270T26.1Very low27.5Very low117 Ų117116.5 Ų116.572%0.71871%0.705SS**  54.2138.358.371.20000111.3
271T27.3Very low27.5Very low107 Ų107117.4 Ų117.466%0.65671%0.705SS**  cis-169.4172.214.4-6.10000106.8
272N28.6Very low27.3Very low128 Ų128115.9 Ų115.968%0.68470%0.699SS**  trans66.4171.6154.5-62-0.7000115.1
273N28.6Very low27.4Very low126 Ų126117.3 Ų117.367%0.67470%0.703SS**  cis-153.1164.4-30.7-106.4-4.1000109.5
274T27.3Very low27.5Very low111 Ų111119.2 Ų119.268%0.68171%0.708SS**  trans13.8122.9149.563.40000120.7
275S24.6Very low27.6Very low104 Ų104117.3 Ų117.373%0.72770%0.704SS**  trans64.7164.8130.271.60000121.1
276V26.1Very low27.7Very low126 Ų126119.3 Ų119.376%0.76471%0.71SS**  trans65.694.4169.7-169.70000112.3
277S24.5Very low27.8Very low98 Ų98122.1 Ų122.169%0.68571%0.712SS**  64.913679.8-178.20000114.3
278S25.2Very low27.9Very low90 Ų90125.8 Ų125.863%0.62972%0.719SS**  trans58114.1152.454.80000119.5
279C25.3Very low28Very low111 Ų111125.9 Ų125.975%0.7572%0.715SS**  88.2135.4124.6-71.60000121.9
280F27.5Very low28Very low176 Ų176127.5 Ų127.577%0.77271%0.713SS**  trans93.7105.8134.4-86.6-136.6000120.8
281L28.7Very low28.1Very low132 Ų132129.4 Ų129.469%0.69172%0.718SS**  73.496.1125-93.870.5000120.5
282S27Very low28.3Very low81 Ų81127.3 Ų127.357%0.56672%0.718SS**  99.6147.696.274.10000121.3
283N27.8Very low28.2Very low143 Ų143130.9 Ų130.977%0.76572%0.723SS**  trans68.2155.6159.7-55-42.7000115.1
284L29.8Very low28.1Very low148 Ų148131.4 Ų131.478%0.77573%0.726SS**  cis-144.4106.67.6-166.767.3000107.4
285A29.7Very low28.4Very low79 Ų79134 Ų13465%0.65373%0.734SS**  59.2128.993.100000116.7
286L33.8Very low28.6Very low156 Ų156136.4 Ų136.482%0.81774%0.739SS**  164.1106.9129.2-84.5171.2000108.8
287K28Very low28.6Very low175 Ų175138 Ų13876%0.76174%0.739SS**  78103.372.7-86.2-165.3175.1175.60115.9
288K32.6Very low28.9Very low190 Ų190141 Ų14183%0.82674%0.736SS**  167.9126.5117.4-87.8160.8-176.8-178.30107.7
289N28.3Very low29.1Very low121 Ų121146 Ų14665%0.64774%0.741SS**  76.3139.953.1-70.432.9000113.8
290H31.1Very low29.6Very low158 Ų158148.5 Ų148.573%0.73175%0.745SS**  trans73154162.5-59.2-49.9000116.9
291L28.8Very low29.7Very low157 Ų157149 Ų14982%0.82275%0.747SS**  cis-170.3161.4-29.8-162.178.9000106.4
292G31.1Very low29.7Very low63 Ų63151.1 Ų151.165%0.64975%0.754SS**  trans106.1122.1176.300000111
293Y25.9Very low30.1Very low204 Ų204154.5 Ų154.580%0.876%0.764SS**  cis75.1123.535.7-74.4-86.8000116.3
294D27.7Very low30.3Very low136 Ų136154.4 Ų154.473%0.72776%0.763SS**  trans77.2158.1140-62.3-20.5000122.6
295L33.2Very low30.1Very low165 Ų165156.4 Ų156.486%0.86477%0.766SS**  trans78.776.4165.6-65154.6000116.7
296D27.8Very low29.9Very low155 Ų155158 Ų15883%0.82977%0.771SS**  -6.5149.9117.2-84.1-53.8000117.9
297E27.3Very low29.8Very low161 Ų161156.5 Ų156.575%0.75277%0.768SS**  trans60.7111.7150.5-140.6-160.5-179.400118.3
298Y30.5Very low29.7Very low161 Ų161152.8 Ų152.863%0.63176%0.764SS**  -177.3137.4117.4-106.7-151000115.1
299R30.1Very low29.6Very low193 Ų193153.5 Ų153.573%0.72877%0.767SS**  trans47.1122.2144.7-57.7179.3-171.2-162.12.3119.4
300I35.2Very low29.5Very low165 Ų165156.2 Ų156.285%0.84677%0.774SS**  -147.8126.191-96.8154000109.1
301K28.8Very low29.5Very low187 Ų187157.4 Ų157.481%0.81378%0.779SS**  trans-92.3161.3160.2-77.6-177.2175.81770107.5
302E29Very low29.5Very low176 Ų176154.7 Ų154.782%0.82277%0.769SS**  trans67.6112.6167.6-61.3169.5147.500115.5
303I34.5Very low29.5Very low152 Ų152158.7 Ų158.778%0.77978%0.776SS**  -163.2123.2122.2-98.6153.6000107.1
304N33.4Very low29.8Very low140 Ų140156.7 Ų156.775%0.74978%0.778SS**  trans54.1125.1164.8-56.3-6.1000119
305K24.9Very low29.8Very low191 Ų191156.1 Ų156.183%0.8378%0.78SS**  cis55.2128.75-153.3176.3-177.3-175.90115.4
306C26.1Very low29.6Very low112 Ų112152.8 Ų152.876%0.75777%0.768SS**  trans71.7142.9-158.4-51.20000111.3
307T32.1Very low29.8Very low124 Ų124151 Ų15176%0.76176%0.759SS**  cis-146.7153.91.9-17.10000110.8
308S24.8Very low30Very low97 Ų97153.2 Ų153.268%0.67876%0.762SS**  trans-63140.4162.452.70000111.4
309F31.2Very low30Very low205 Ų205152.2 Ų152.290%0.89977%0.766SS**  trans-138.5149.4142.7-108.1-81.4000110
310K26.9Very low30Very low178 Ų178149.3 Ų149.377%0.77477%0.765SS**  trans-112.4147.5-178.1-56.5174.6-179.2178.10109.2
311E30.9Very low29.7Very low183 Ų183148.4 Ų148.486%0.85576%0.762SS**  trans-154.299.2140.6-105.1159.4-174.700104.7
312T28.4Very low29.9Very low100 Ų100146.9 Ų146.961%0.61376%0.761SS**  54.5106.48165.10000110.7
313D30.5Very low29.8Very low147 Ų147147.7 Ų147.779%0.78676%0.762SS**  -160.8164.768-99.7-27.5000116.5
314L32.9Very low29.3Very low162 Ų162146 Ų14685%0.84876%0.763SS**  trans65.472.6156.8-65.4164.5000119.8
315T26.4Very low29Very low125 Ų125143.9 Ų143.977%0.76777%0.765SS**  trans-73.8-175.3135.5550000110.6
316P30.4Very low28.9Very low95 Ų95140.3 Ų140.362%0.61776%0.764SS**  cis-129.4-174.4-26.420.93.3000112.5
317N30.6Very low28.9Very low118 Ų118142.1 Ų142.163%0.63177%0.765SS**  144.5140.4120.5-77.2-39.8000115.9
318Y31.3Very low28.6Very low206 Ų206141.8 Ų141.881%0.80877%0.767SS**  trans64.8144.7157.3-57.9-40.5000118.4
319I32.6Very low28.6Very low140 Ų140143.5 Ų143.572%0.71877%0.769SS**  cis-148.5155.5-6.5-124.6160.5000110
320D28.1Very low28.6Very low133 Ų133142.1 Ų142.171%0.71177%0.77SS**  trans-71.2170.3-179.3-50.8-94.3000115.1
321N30.3Very low28.6Very low145 Ų145138.2 Ų138.278%0.77577%0.765SS**  trans127.1153.1141.2-66.8-68.3000116.6
322I32.3Very low28.3Very low156 Ų156140.6 Ų140.680%0.877%0.766SS**  trans61.993.2175.4-44.2174.7000112.4
323K27.9Very low28.4Very low193 Ų193141.6 Ų141.684%0.83978%0.778SS**  cis59.4104.525.5-129.5177.3-169.5175.70114.8
324S24Very low28.1Very low115 Ų115140.5 Ų140.580%0.80478%0.781SS**  trans50.2100.5158.357.20000119.6
325A26.3Very low27.9Very low96 Ų96140.8 Ų140.879%0.79378%0.783SS**  trans-149.6104147.200000110.8
326S23.8Very low27.8Very low117 Ų117144.7 Ų144.782%0.81878%0.783SS**  trans-85.2124.7161.652.50000109.1
327I25.7Very low27.8Very low150 Ų150148 Ų14877%0.76979%0.794SS**  trans-144.5129.1160.8-96.5135000109.2D329I327-D329 HydrophobicContact CG2-CB 4.01Å
328S24.2Very low27.8Very low116 Ų116149.7 Ų149.781%0.81180%0.803SS**  trans-94.384.8170.753.70000109.3
329D26.8Very low27.5Very low134 Ų134148.1 Ų148.172%0.71780%0.803SS**  trans-154.1106.3169.6-98-44.8000111.9I327I327-D329 HydrophobicContact CG2-CB 4.01Å
330L31Very low27.5Very low176 Ų176149.4 Ų149.492%0.92181%0.812SS**  -167109.8127.9-129.970.9000109.6
331S25.5Very low27.4Very low95 Ų95150.5 Ų150.566%0.66482%0.816SS**  trans-111.5159.1164.466.10000109.4
332R26.3Very low27.4Very low233 Ų233151.6 Ų151.688%0.87982%0.82SS**  trans79.6169.2-178.9-49.8172.7170.9-175.3-4.4115.4
333S29Very low27.4Very low122 Ų122150.6 Ų150.685%0.85382%0.816SS**  trans77.693.7173.6-52.20000117.2
334S24.2Very low27.5Very low123 Ų123148.1 Ų148.186%0.8681%0.812SS**  trans-61.9137.4166-44.80000112.5
335L29.8Very low28Very low169 Ų169150 Ų15089%0.88581%0.813SS**  trans-153.8134.7158.5-124.8147.9000111.9
336R24.6Very low28.1Very low206 Ų206153.4 Ų153.478%0.77782%0.818SS**  trans-91.1133.4178.1-61.8171.5173.2174.3-3110.2D1522R336-D1522 IonicContact NH2-OD2 3.33Å
337I30.3Very low28.5Very low164 Ų164156.2 Ų156.284%0.84182%0.815SS**  trans-136.9143.3153.9-59.9-172.9000108.9
338N30.1Very low28.6Very low154 Ų154155.3 Ų155.382%0.82482%0.819SS**  trans-73.4160.5-175.4-71.4-37000113.8
339H24.8Very low28.9Very low174 Ų174156.2 Ų156.281%0.80681%0.813SS**  trans-57.1145164.1-58.2-85.8000112.1
340N32.1Very low28.9Very low167 Ų167159.1 Ų159.189%0.89382%0.82SS**  trans-152.4143.9132.3-113.6-27.9000111.3
341I26.7Very low28.8Very low156 Ų156157.7 Ų157.780%0.881%0.812SS**  trans-104.5121.8-173.7-59.9161.5000108.3
342I30.1Very low29Very low168 Ų168158.8 Ų158.886%0.86281%0.809SS**  trans-132.3129.4159.7-60.3-173.9000111.8
343N32.3Very low29Very low135 Ų135153.9 Ų153.972%0.72281%0.807SS**  trans-39.6164.3175.5-165.617.1000118.5N345N343-N345 PolarHBondContact O-N 3.46Å
344N29Very low29Very low140 Ų140155 Ų15575%0.74980%0.803SS**SBendtrans-55.8113.6176.5-62.7-27.4000113.6
345N35.1Very low29.1Very low154 Ų154156 Ų15682%0.82480%0.798SS**  trans-174.5134.3135.4-96.2-36000109.7N343 K347N343-N345 PolarHBondContact O-N 3.46Å; N345-K347 PolarHBondContact O-N 3.17Å
346N29.6Very low29Very low168 Ų168154.3 Ų154.390%0.89879%0.79SS**  trans-73.378.7-165.3-69.6-8.5000114.4
347K31.9Very low29.1Very low177 Ų177151 Ų15177%0.7778%0.781SS**  trans-139104.9162.2-75-166.8175-177.40111.6N345 I349N345-K347 PolarHBondContact O-N 3.17Å; K347-I349 HydrophobicContact CB-CG1 4.41Å; K347-I349 PolarHBondContact O-N 2.83Å
348P28.2Very low29Very low130 Ų130149 Ų14984%0.84478%0.782SS**  trans-76.387.3173.431.3-33.3000110.1K350P348-K350 PolarHBondContact O-N 2.92Å
349I29Very low28.8Very low135 Ų135147 Ų14769%0.69278%0.78SS**  trans-74.799.9177.3-54.2-176.8000109K347 I351K347-I349 HydrophobicContact CB-CG1 4.41Å; K347-I349 PolarHBondContact O-N 2.83Å; I349-I351 HydrophobicContact CG2-CD1 4.33Å; I349-I351 HydrophobicContact CG2-CG1 3.93Å; I349-I351 PolarHBondContact O-N 3.06Å
350K27.1Very low29Very low196 Ų196143.6 Ų143.685%0.85278%0.776SS**  trans-58121.1162-67.7178.81781790108.7P348P348-K350 PolarHBondContact O-N 2.92Å
351I29.2Very low28.9Very low146 Ų146140.9 Ų140.975%0.74977%0.77SS**  trans-121.8133.5158.4-58-173.4000107.3I349I349-I351 HydrophobicContact CG2-CD1 4.33Å; I349-I351 HydrophobicContact CG2-CG1 3.93Å; I349-I351 PolarHBondContact O-N 3.06Å
352L29.2Very low29Very low117 Ų117135.4 Ų135.461%0.61375%0.752SS**  trans-73.4153.2-171.6-72.666.4000110.9L354L352-L354 HydrophobicContact CB-CD1 4.22Å; L352-L354 HydrophobicContact CB-CG 4.05Å; L352-L354 PolarHBondContact O-N 3.23Å
353P26Very low28.8Very low130 Ų130134.5 Ų134.584%0.84475%0.747SS**  trans-70.180.1162.131.6-33.8000109.3L355P353-L355 PolarHBondContact O-N 3.33Å
354L29.2Very low28.7Very low146 Ų146134.6 Ų134.676%0.76475%0.746SS**  trans-87.7108.1-178-96.2164.2000111.6L352L352-L354 HydrophobicContact CB-CD1 4.22Å; L352-L354 HydrophobicContact CB-CG 4.05Å; L352-L354 PolarHBondContact O-N 3.23Å
355L27.4Very low28.6Very low143 Ų143134.7 Ų134.775%0.74975%0.747SS**  trans-56.6160.2165.8-75.1138.3000112.8P353P353-L355 PolarHBondContact O-N 3.33Å
356N26.8Very low28.3Very low134 Ų134133.1 Ų133.172%0.71774%0.743SS**  trans85.8145.5136.9-90.8-28.8000122.1
357K27.6Very low28.1Very low137 Ų137132.2 Ų132.260%0.59673%0.733SS**  trans71.189.5148.3-70.5171-177.5-171.90118.9
358S27Very low28Very low123 Ų123128.7 Ų128.786%0.8672%0.722SS**SBend-122.2133.999.6-65.60000107.4
359S27.2Very low28Very low110 Ų110128.8 Ų128.877%0.76972%0.716SS**SBendcis-136.8163.121.3-60.80000113.6
360S27.8Very low27.9Very low103 Ų103129.4 Ų129.472%0.7272%0.721SS**  trans75.9161.9164.2-149.30000119.8
361S30Very low28Very low111 Ų111125.3 Ų125.378%0.77671%0.714SS**  trans-40.2148.1168.8-167.10000113.5
362G29Very low27.7Very low41 Ų41122.9 Ų122.942%0.42371%0.71SS.*  cis144.41484.500000110.4
363I27.4Very low27.7Very low148 Ų148124.5 Ų124.576%0.75972%0.717SS**  trans63112.7151.5-59.5176.5000118.3
364I29.9Very low27.8Very low138 Ų138124.2 Ų124.271%0.70871%0.714SS**  trans76.9108.5149.4-65.2170.8000120.3
365N25.5Very low27.8Very low142 Ų142122.4 Ų122.476%0.75971%0.711SS**  trans56.2172.5130.7-56.1-2.6000124.2
366T29.6Very low27.9Very low121 Ų121123 Ų12374%0.74272%0.715SS**  trans72.690.8157.236.30000120.3
367Q26.3Very low27.9Very low149 Ų149122.3 Ų122.370%0.69671%0.707SS**  68.4148.3105.5-88.8-165.64100122.9
368L28.4Very low28.2Very low102 Ų102123.8 Ų123.853%0.53472%0.719SS.*  trans77.7102.1152.3-67.2162.2000120.8
369N29.7Very low28.2Very low132 Ų132124 Ų12471%0.70671%0.711SS**  63.1117.3121.6-59.18.1000122.3
370D25.6Very low28.4Very low149 Ų149126.2 Ų126.280%0.79771%0.714SS**  -6.1146.8121.3-84.6-49.5000117.3
371P30.1Very low28.6Very low110 Ų110132.8 Ų132.871%0.71473%0.725SS**  -151.6163.856.743-23.8000119.7
372S23Very low28.7Very low95 Ų95136.3 Ų136.366%0.66473%0.729SS**  trans21.8136.1145.668.50000121.7
373I27.9Very low28.6Very low150 Ų150139.9 Ų139.977%0.76975%0.745SS**  -171.1138.8113.4-101157.6000112.6
374T27.9Very low28.5Very low125 Ų125137.3 Ų137.377%0.76774%0.74SS**  trans49.5128.9167.948.80000121.6
375P29.5Very low28.2Very low108 Ų108139.5 Ų139.570%0.70175%0.745SS**  trans-88.4165.6161.638.6-33.8000111.8
376D29.8Very low28.3Very low155 Ų155140.3 Ų140.383%0.82975%0.747SS**  trans-150.3161.6156.9-140.3-31.5000112.2
377H27.8Very low28.1Very low119 Ų119138.4 Ų138.455%0.55174%0.736SS**  trans-82158.4-170.3-81.1-100.9000114.5
378I33.5Very low28Very low168 Ų168139 Ų13986%0.86274%0.742SS**  -162.7138.3123.5-100.5151.3000110.6
379N27.1Very low27.9Very low129 Ų129141.3 Ų141.369%0.6975%0.753SS**  trans-86.7147.7-175.3-59.8-59.7000112.4
380N31.5Very low27.6Very low155 Ų155144.2 Ų144.283%0.82975%0.754SS**  trans-174.397.5145.6-100.5-38.3000112.5
381Y31Very low27.6Very low242 Ų242143.7 Ų143.795%0.94975%0.747SS**  trans-142.8140.7154.1-104.9-78.7000110.5
382Q31.5Very low27.4Very low184 Ų184143.6 Ų143.686%0.8674%0.74SS**  trans-84.8147.9-159.8-69179-37.300114.2
383P28.3Very low27.7Very low116 Ų116145 Ų14575%0.75374%0.741SS**  trans-79.7162.8178.533.7-36.9000113.5K385P383-K385 PolarHBondContact O-N 3.03Å
384S24Very low27.6Very low94 Ų94144 Ų14466%0.65774%0.736SS**  trans-49.5113172.7-600000113.3I386S384-I386 PolarHBondContact O-N 3.43Å
385K25Very low27.8Very low185 Ų185145.7 Ų145.780%0.80474%0.741SS**  trans-97.463.9179.1-161.6174.8-177177.90112.9P383 T387P383-K385 PolarHBondContact O-N 3.03Å; K385-T387 PolarHBondContact O-N 3Å
386I26Very low27.6Very low158 Ų158148.2 Ų148.281%0.8175%0.749SS**  trans-83.593.1159-63.8-176.7000107.4S384 I388S384-I386 PolarHBondContact O-N 3.43Å; I386-I388 PolarHBondContact O-N 3.49Å
387T26.5Very low27.6Very low82 Ų82148.8 Ų148.850%0.50375%0.75SS.*  trans-71.5108.4-176.8-71.20000111.4K385 I389K385-T387 PolarHBondContact O-N 3Å; T387-I389 HydrophobicContact CG2-CB 4.5Å; T387-I389 HydrophobicContact CG2-CD1 3.53Å; T387-I389 HydrophobicContact CG2-CG1 3.58Å; T387-I389 PolarHBondContact O-N 2.88Å
388I23.2Very low27.5Very low162 Ų162152.2 Ų152.283%0.83176%0.763SS**  trans-72.4103164.4-58.6173.8000108.1I386I386-I388 PolarHBondContact O-N 3.49Å
389I27.6Very low27Very low149 Ų149152.4 Ų152.476%0.76476%0.763SS**  trans-104.4100164.9-80164.7000109.2T387T387-I389 HydrophobicContact CG2-CB 4.5Å; T387-I389 HydrophobicContact CG2-CD1 3.53Å; T387-I389 HydrophobicContact CG2-CG1 3.58Å; T387-I389 PolarHBondContact O-N 2.88Å
390R23.7Very low27.1Very low194 Ų194153.4 Ų153.473%0.73277%0.768SS**  trans-51.7138.5150.6-172.3-153.5-67.1163.5-3.9108.1
391E25.2Very low27Very low138 Ų138151.4 Ų151.465%0.64577%0.766SS**  175.8125111.4-91.3-163.3-166.300117.1
392N25.8Very low26.8Very low108 Ų108150 Ų15058%0.57876%0.76SS**  68.2137.3124.6-68.3-19000124
393N28.1Very low26.8Very low125 Ų125147 Ų14767%0.66876%0.757SS**  trans82.3103.1141.4-64.9-13000120.4
394N26.9Very low26.8Very low127 Ų127151.2 Ų151.268%0.67976%0.763SS**  68.6109.1128.5-55.1-22.7000118.2
395N31.5Very low27Very low161 Ų161154.2 Ų154.286%0.86177%0.771SS**  -157139.2102.4-100.7-49.9000113.3I397N395-I397 PolarHBondContact O-N 2.9Å
396N25Very low27.2Very low162 Ų162151.4 Ų151.487%0.86677%0.772SS**  trans-83.4107.4-176-75.7-55.5000111.9
397I29.9Very low27.2Very low166 Ų166151.1 Ų151.185%0.85177%0.77SS**  trans-127.1110.6163.3-57-174.7000111.6N395N395-I397 PolarHBondContact O-N 2.9Å
398K27.3Very low27.3Very low192 Ų192153 Ų15384%0.83578%0.782SS**  trans-24.8134.4175.9-64.9167.1178.4172.60117.5
399M22.2Very low27.5Very low172 Ų172151 Ų15185%0.84777%0.773SS**  trans-58.7151.7156.8-68.5-171-179.500112.2
400N28.8Very low27.5Very low150 Ų150154.6 Ų154.680%0.80278%0.777SS**  trans-155.4149.1155.9-103.8-35.8000111.9
401S29.6Very low27.7Very low112 Ų112150.6 Ų150.678%0.78378%0.779SS**  trans63.875.6156.3-54.70000120.1
402Y26.5Very low28Very low213 Ų213148.1 Ų148.184%0.83578%0.782SS**PPolyproline II helixtrans-70.2144.7155.3-83.8-93.7000112
403P31.4Very low28Very low121 Ų121150.9 Ų150.979%0.78680%0.796SS**PPolyproline II helixtrans-69.1135.6164.929.7-33.2000110.9
404K28.2Very low27.9Very low204 Ų204153.9 Ų153.989%0.88780%0.803SS**PPolyproline II helixtrans-78.5131.8-170.9-67.2172.1179.2170.60112.9
405L28.9Very low28.1Very low157 Ų157155.2 Ų155.282%0.82280%0.803SS**PPolyproline II helixtrans-75.5145.6156.2-77.4167.2000110.5I407L405-I407 PolarHBondContact O-N 3.09Å
406P29.5Very low28Very low127 Ų127152.9 Ų152.983%0.82579%0.79SS**  trans-73.3112179.1-16.831.7000112.7
407I25.4Very low28Very low151 Ų151149 Ų14977%0.77478%0.78SS**  trans-93.5127.2171-64.2168.5000109.8L405L405-I407 PolarHBondContact O-N 3.09Å
408T29Very low28Very low123 Ų123150.2 Ų150.276%0.75578%0.782SS**  trans-170141.315327.90000110.6
409N27.9Very low27.8Very low119 Ų119148.1 Ų148.164%0.63678%0.78SS**  cis-167.7142.8-21.9-141.4-18.1000110
410R27.2Very low28.1Very low224 Ų224145.3 Ų145.385%0.84578%0.776SS**  trans60.6163.5159.5-71.3179.2179.6-165.9-2.1118
411S27.5Very low28.1Very low110 Ų110145.3 Ų145.377%0.76978%0.776SS**  cis-175.3158.6-24.856.10000106.9
412A30.7Very low28.2Very low87 Ų87144.4 Ų144.472%0.71977%0.767SS**  cis-144.3173.12.800000107.7
413L25.8Very low28.3Very low165 Ų165141.2 Ų141.286%0.86477%0.765SS**  cis78.4107.623-128.2-177.2000116.2
414K27.8Very low28.4Very low188 Ų188141.9 Ų141.982%0.81776%0.757SS**  trans155148.7161.6-92.1-169.6175.8-171.60107
415K29.5Very low28.4Very low155 Ų155138.4 Ų138.467%0.67475%0.748SS**  cis-171.6156.8-14.7-110.6-173.1151-740104.2
416D29.8Very low28.6Very low113 Ų113135 Ų13560%0.60473%0.73SS**  cis-148170-1-89.4-47.9000107.5
417A26.2Very low28.6Very low79 Ų79134.9 Ų134.965%0.65372%0.723SS**  cis86.775.98.900000119.1
418Q28.5Very low28.9Very low192 Ų192133 Ų13390%0.89772%0.721SS**  trans-179.3176.1148.2-103.6161.82000111.1
419L24.5Very low28.8Very low149 Ų149130.5 Ų130.578%0.7871%0.708SS**  -167.3164.5-76-145.275.9000108.3
420C28.1Very low28.9Very low113 Ų113135 Ų13576%0.76472%0.718SS**  trans69.5158165.8-62.60000118.3
421N28.7Very low28.8Very low150 Ų150133.9 Ų133.980%0.80272%0.719SS**  cis-156.6-157.6-36.2-144.16.7000109.1
422P32Very low29Very low92 Ų92131.1 Ų131.160%0.59770%0.699SS**  trans-128177.2-136.241.8-21.1000119.3
423N27.6Very low28.8Very low147 Ų147132.8 Ų132.879%0.78671%0.706SS**  trans63.7116.8153.5-65.4-7.1000122.9
424H33.9Very low28.8Very low134 Ų134129.6 Ų129.662%0.6269%0.689SS**  -171.2159.4118.3-116-69.3000113.7S437H424-S437 PolarHBondContact O-OG 3.25Å
425N28.8Very low28.6Very low132 Ų132126.5 Ų126.571%0.70669%0.691SS**  trans-111.9149.4174-73.1-17.7000112.2P438N425-P438 WeakPolarHBondContact O-CA 3.04Å
426N32.5Very low28.4Very low84 Ų84126.5 Ų126.545%0.44969%0.693SS.*  trans172.8157.4132.8-86.6-5.1000112Q436 S437 P438 L439N426-Q436 CarbonylContact O-C 3.45Å; N426-S437 PolarHBondContact O-N 3.31Å; N426-P438 WeakPolarHBondContact CB-O 3.47Å; N426-P438 PolarHBondContact ND2-O 2.99Å; N426-L439 PolarHBondContact ND2-N 2.91Å
427N28.8Very low28.3Very low125 Ų125124.1 Ų124.167%0.66869%0.686SS**  trans-91.8172.7174.7-112.4-38.6000110.5
428P32.1Very low28.4Very low112 Ų112123.8 Ų123.873%0.72768%0.677SS**  cis-149-174.636.642.9-21.3000118.8
429S27Very low28.3Very low70 Ų70120.5 Ų120.549%0.4967%0.665SS.*  trans9.7125.8153.6-155.70000118.9
430Y29.5Very low28.4Very low213 Ų213118 Ų11884%0.83566%0.659SS**SBendcis-151.2158.436.5-75.2-104.6000110.6
431K25.8Very low28.4Very low202 Ų202119.2 Ų119.288%0.87866%0.658SS**SBendcis-8487.6-20.6-69175.5177.5177.30106S433K431-S433 PolarHBondContact O-N 2.69Å
432S30.9Very low28.2Very low51 Ų51119.5 Ų119.536%0.35766%0.658SS.*  trans-88.3108.1-148.3-170.20000114.4I434S432-I434 PolarHBondContact OG-N 3.02Å
433S26.7Very low27.9Very low122 Ų122120 Ų12085%0.85366%0.664SS**  trans-116.246.3150.842.80000109K431K431-S433 PolarHBondContact O-N 2.69Å
434I25.6Very low27.8Very low99 Ų99117.8 Ų117.851%0.50866%0.659SS.*  trans-117.2121.9-169-60.8173.3000110S432 Q436S432-I434 PolarHBondContact OG-N 3.02Å; I434-Q436 HydrophobicContact CG2-CB 4.46Å; I434-Q436 HydrophobicContact CG2-CG 4.37Å
435S23.6Very low27.5Very low122 Ų122119.7 Ų119.785%0.85367%0.668SS**  trans-100.575-178.246.60000112.7
436Q25.8Very low27.7Very low155 Ų155119 Ų11972%0.72467%0.673SS**  trans-147.2119.5177.8-64.2-172.8-10.400113.3N426 I434N426-Q436 CarbonylContact O-C 3.45Å; I434-Q436 HydrophobicContact CG2-CB 4.46Å; I434-Q436 HydrophobicContact CG2-CG 4.37Å
437S27.3Very low27.7Very low64 Ų64122 Ų12245%0.44869%0.689SS.*  trans24.6154.5143.7-58.20000123H424 N426H424-S437 PolarHBondContact O-OG 3.25Å; N426-S437 PolarHBondContact O-N 3.31Å
438P28.4Very low28Very low72 Ų72121.5 Ų121.547%0.46869%0.692SS.*  cis-141.7-169.1-1338.8-16.3000115.6N425 N426N425-P438 WeakPolarHBondContact O-CA 3.04Å; N426-P438 WeakPolarHBondContact CB-O 3.47Å; N426-P438 PolarHBondContact ND2-O 2.99Å
439L25.8Very low28Very low123 Ų123121.9 Ų121.964%0.64469%0.688SS**  trans45.1127.4145.1-75.9158.9000124.7N426N426-L439 PolarHBondContact ND2-N 2.91Å
440S26.7Very low28.1Very low96 Ų96123.3 Ų123.367%0.67169%0.694SS**  trans90.8139.3138.475.40000123.7
441N28.3Very low28.1Very low138 Ų138118.8 Ų118.874%0.73868%0.684SS**  trans69.5106.6154.9-61.5-7.3000123.5
442I25.1Very low28.3Very low157 Ų157115.2 Ų115.281%0.80567%0.674SS**  48.5121118.1-60.5158.3000117
443S26.5Very low28.1Very low101 Ų101116.7 Ų116.771%0.70669%0.685SS**  -162.7173.159.650.80000116.1
444C25.3Very low28.1Very low101 Ų101117.8 Ų117.868%0.68268%0.68SS**  trans18.2147.6142.6-59.10000121.7
445E27.8Very low28.3Very low175 Ų175119.2 Ų119.282%0.81869%0.686SS**  cis-157.2147.70.1-105.9150.4155.200106.9
446S33.2Very low28.3Very low117 Ų117121.3 Ų121.382%0.81868%0.679SS**  -168.6135.174.327.40000112.6
447L32.5Very low28.3Very low148 Ų148121.9 Ų121.978%0.77568%0.68SS**  trans-70.8164.7166.1-89.7152.2000110.3
448P34.5Very low28.2Very low114 Ų114125.4 Ų125.474%0.7469%0.694SS**  cis-146.7173.147.145.3-25.5000115.4
449N31.1Very low28.1Very low119 Ų119126.9 Ų126.964%0.63671%0.706SS**  cis-161.2148.60.3-128.74.9000112.4
450V30.8Very low28Very low101 Ų101128.8 Ų128.861%0.61272%0.716SS**  49.2128.4120.4158.70000118.9
451N29.5Very low27.9Very low118 Ų118128.8 Ų128.863%0.63172%0.716SS**  cis-164.5164.66.1-129.8-9.4000115.8
452N29Very low27.7Very low126 Ų126127.7 Ų127.767%0.67471%0.714SS**  trans64.7141.9144-76.5-26.2000120.1
453S27.4Very low27.7Very low83 Ų83126.6 Ų126.658%0.5872%0.715SS**  cis173171.3-15.2-113.80000107.3
454I27Very low27.6Very low144 Ų144128.4 Ų128.474%0.73872%0.716SS**  trans67.9138.9148-73.9162000116.2
455M28.3Very low27.7Very low129 Ų129130.5 Ų130.564%0.63572%0.72SS**  cis-154.4178.9-15.3-122.5-164.9-71.800110.6
456K24.1Very low27.6Very low166 Ų166127.6 Ų127.672%0.72271%0.709SS**  trans-35155.5150.2-50.4156.5-178172.20112.4
457F26.4Very low27.4Very low167 Ų167129.3 Ų129.373%0.73271%0.709SS**  -179.5169.7107-104.6-72.8000113.8
458N25.3Very low27.2Very low138 Ų138128.1 Ų128.174%0.73870%0.704SS**  trans-79.3-158.1175.5-48.4-45000111.3
459S25Very low27Very low103 Ų103129.2 Ų129.272%0.7270%0.703SS**  trans85.3128.5172.3-43.80000112.9
460L24.8Very low27.2Very low164 Ų164129.1 Ų129.186%0.85970%0.703SS**  cis65.5124.644.3-72.392.9000115.1
461S23.4Very low27.4Very low95 Ų95130 Ų13066%0.66470%0.704SS**  trans70.4117.4137.3-154.70000120.4
462T23.8Very low27.6Very low116 Ų116130 Ų13071%0.71270%0.704SS**  trans68.2163.6136.751.20000120.7
463T26.5Very low27.9Very low133 Ų133131.7 Ų131.782%0.81671%0.706SS**  trans68.1127179.365.40000114.9
464L24Very low28.1Very low139 Ų139133.3 Ų133.373%0.72871%0.707SS**  cis85.376.822.2-151.2176000114.6I466L464-I466 HydrophobicContact CD2-CD1 3.98Å
465N27.1Very low28.1Very low145 Ų145133.7 Ų133.778%0.77571%0.706SS**  trans-164.4129.6144.4-99.8-23.6000105.7
466I25.3Very low28.1Very low115 Ų115134.5 Ų134.559%0.5971%0.713SS**  cis71.287.347.2-51.8173.8000112.8L464L464-I466 HydrophobicContact CD2-CD1 3.98Å
467N30.3Very low28.3Very low152 Ų152133.2 Ų133.281%0.81371%0.713SS**  -163.7110.3125.2-97-23.5000106.8
468N26.7Very low28.5Very low123 Ų123131.4 Ų131.466%0.65871%0.71SS**  48.9100.170.4-75-6.4000113.7
469N32.2Very low28.6Very low137 Ų137132 Ų13273%0.73371%0.713SS**  -158.8113.4104.3-96.5-29.3000111.8
470N33.9Very low29.2Very low118 Ų118132 Ų13263%0.63171%0.711SS**  66.3133.9129.9-53.8-15.3000119
471N34.3Very low29.3Very low119 Ų119130.5 Ų130.564%0.63670%0.704SS**  cis-158.313810.6-117.5-21.5000112
472N34.7Very low29.7Very low119 Ų119134.7 Ų134.764%0.63671%0.713SS**  trans59.4140.4145.4-59.5-39.8000120
473K34.8Very low30Very low161 Ų161132.3 Ų132.370%0.771%0.711SS**  cis-161.6150-1.9-120.5168.4-173.3178.80110.9
474N31.5Very low30.1Very low116 Ų116133.7 Ų133.762%0.6271%0.712SS**  trans56.3110.5144-68.217.4000118.9
475Q28.6Very low30.4Very low153 Ų153134.1 Ų134.172%0.71571%0.71SS**  83.6115.681-78.9169.2-16.900112.1
476L26.3Very low30.6Very low146 Ų146132.8 Ų132.876%0.76470%0.703SS**  66.6100.387.2-98167.3000112.9
477N30.3Very low30.8Very low138 Ų138132.6 Ų132.674%0.73870%0.703SS**  trans-179.3126.6132.8-88.2-5.4000107.3
478I30.1Very low30.8Very low129 Ų129132.1 Ų132.166%0.66270%0.696SS**  91.8121.762.9-76.5177.3000111.5
479D27.4Very low30.9Very low150 Ų150131 Ų13180%0.80269%0.69SS**  trans71.2158.6159.4-68.9-7.1000121.6
480P36.4Very low31Very low104 Ų104131.5 Ų131.568%0.67569%0.688SS**  trans-129-148.4-146.946.7-31.2000113.8
481D27.6Very low30.9Very low133 Ų133131.3 Ų131.371%0.71169%0.687SS**  trans75.4154.4169.4-74.4-35.1000118.6
482H32.8Very low30.5Very low183 Ų183131.2 Ų131.285%0.84769%0.686SS**  trans66.3112179.6-39.1-61.3000114.9
483G28.6Very low30.3Very low65 Ų65134.2 Ų134.267%0.6770%0.696SS**  cis971436.600000112.8
484L29Very low29.9Very low162 Ų162131.5 Ų131.585%0.84869%0.688SS**  trans70.6150.3-168.3-45.8176.7000111.9
485H29.7Very low29.6Very low148 Ų148130.5 Ų130.569%0.68569%0.686SS**  cis-145.2163.6-1.3-114.8179.1000106
486N31.4Very low29.6Very low117 Ų117134.1 Ų134.163%0.62669%0.693SS**  cis-164.6140.540.7-115.2-21.2000109.9
487N29.6Very low29.6Very low112 Ų112135.6 Ų135.660%0.59969%0.694SS**  54.3141123.9-61.4-9.1000122.4
488H31.2Very low29.4Very low141 Ų141135.2 Ų135.265%0.65370%0.696SS**  cis-158.7153.2-3.8-130.839.6000111.9
489N29.2Very low29.3Very low101 Ų101133.9 Ų133.954%0.5470%0.696SS.*  trans25133.6136.2-70.1-22.5000120
490H33.3Very low29.3Very low147 Ų147133.6 Ų133.668%0.68169%0.694SS**  cis-152.3146.248.4-96.8-61.3000117.2
491N31.3Very low29Very low114 Ų114133.2 Ų133.261%0.6169%0.69SS**  trans48.8116.5139.1-54.6-3.4000120.2
492N27.8Very low28.9Very low116 Ų116137 Ų13762%0.6270%0.7SS**  72.4101.253-62.4-39000115.2I494N492-I494 HydrophobicContact CB-CD1 3.83Å; N492-I494 HydrophobicContact CB-CG1 4.49Å
493H29.1Very low28.7Very low182 Ų182136 Ų13684%0.84370%0.696SS**  -167.3110.4121.7-106.2-77.1000107.8
494I26.6Very low28.7Very low105 Ų105142 Ų14254%0.53871%0.706SS.*  cis88114.741.1-59171.6000112.8N492N492-I494 HydrophobicContact CB-CD1 3.83Å; N492-I494 HydrophobicContact CB-CG1 4.49Å
495T26.3Very low28.6Very low95 Ų95144.6 Ų144.658%0.58371%0.706SS**  trans69.8156.6161.955.80000119.1
496W27.7Very low28.7Very low229 Ų229145.3 Ų145.387%0.86772%0.715SS**  cis-127.9156.712.8-83.195.8000115.4
497K26.2Very low28.6Very low177 Ų177143.9 Ų143.977%0.7772%0.715SS**  trans-71.5151.9158.9-55.9172179177.30110
498V26.8Very low28.6Very low129 Ų129145.6 Ų145.678%0.78272%0.724SS**  -156.1112.7110.9173.80000108.2D500V498-D500 HydrophobicContact CG1-CB 4.42Å
499P27.5Very low28.6Very low102 Ų102147.4 Ų147.466%0.66273%0.733SS**  trans-84.6138.3149.134.6-28.5000109.3
500D27.2Very low28.7Very low144 Ų144151.6 Ų151.677%0.7775%0.746SS**  trans173.7152.5159.6-88.6-24.9000108.1V498V498-D500 HydrophobicContact CG1-CB 4.42Å
501T30.3Very low28.5Very low95 Ų95151.2 Ų151.258%0.58375%0.748SS**  cis-142.5157.2-11.33.70000108.9E503T501-E503 HydrophobicContact CG2-CG 4.23Å
502K26Very low28.5Very low212 Ų212153.9 Ų153.992%0.92276%0.757SS**  trans-92.7101.5150.8-81.7-174.2177.4-178.80107.9
503E28.1Very low28.6Very low164 Ų164154 Ų15477%0.76676%0.762SS**  trans-112.290.9166.8-79.9-179.5-166.200109.8T501T501-E503 HydrophobicContact CG2-CG 4.23Å
504E28.9Very low28.6Very low189 Ų189151 Ų15188%0.88375%0.752SS**  trans-103.8107.1156-171164.1-134.700107.3
505Y26.4Very low28.9Very low217 Ų217153 Ų15385%0.85176%0.758SS**  trans-5.4126.2172.1-69.4-100.2000117.8
506N32Very low29.1Very low163 Ų163153.4 Ų153.487%0.87277%0.766SS**  trans-136.8145131.2-111-50.2000110.9
507S29Very low29.3Very low88 Ų88148 Ų14862%0.61576%0.758SS**  trans-75.8160-17556.80000112.5
508N30.5Very low29.5Very low148 Ų148144.1 Ų144.179%0.79175%0.753SS**  -164.9158.9104.3-86.5-15.5000111.7
509E31Very low29.8Very low179 Ų179145.3 Ų145.384%0.83675%0.75SS**  trans-78.7146.8-172-55.2149.810600112.3
510K30.9Very low30.2Very low188 Ų188146.4 Ų146.482%0.81775%0.75SS**  -166.4121.1115.2-110.1-166.8171-162.40113.9
511L29.1Very low30.5Very low139 Ų139147 Ų14773%0.72875%0.751SS**  39.3152.6124.4-81.8161.4000122.9
512E31.1Very low30.5Very low170 Ų170149.5 Ų149.579%0.79476%0.757SS**  trans80.8118167.9-68.6157.7177.100116
513V30.3Very low30.8Very low119 Ų119147 Ų14772%0.72175%0.749SS**  cis81126.738.6-176.40000109.2
514D28.7Very low30.9Very low118 Ų118144.1 Ų144.163%0.63175%0.747SS**  cis-156.7-175.724.1-140.4-31.9000115.7
515H32.1Very low31Very low147 Ų147141.1 Ų141.168%0.68174%0.742SS**  trans61.7111.3142.3-73.35.7000119.6
516S30.6Very low31.1Very low105 Ų105137.5 Ų137.573%0.73474%0.737SS**  117.4162.586.568.70000110.5
517T32.6Very low30.9Very low116 Ų116134.1 Ų134.171%0.71273%0.726SS**  cis-153.9162.21.5-23.80000109.9
518S31.6Very low31Very low95 Ų95135.3 Ų135.366%0.66474%0.735SS**  trans61.9144.914370.80000120.5
519E32.9Very low30.8Very low154 Ų154135.5 Ų135.572%0.7274%0.735SS**  cis-172.7166.8-5.1-123.4171.4-135.200112.4
520N34.9Very low30.7Very low124 Ų124133.2 Ų133.266%0.66373%0.728SS**  trans63.8149.5157.5-56.2-33.2000118.1
521M32.9Very low30.6Very low158 Ų158132.2 Ų132.278%0.77873%0.732SS**  cis-169.6157.7-14-109.9176.170.100106.2
522M31.8Very low30.5Very low147 Ų147133.4 Ų133.472%0.72473%0.731SS**  cis-159.9-161.4-9.4-153.4-159.7-179.700108
523Q32.2Very low30.3Very low160 Ų160132.9 Ų132.975%0.74873%0.732SS**  trans51.192.4160.2-68.1178.28.900117.8
524S29Very low30.5Very low102 Ų102130.2 Ų130.271%0.71373%0.729SS**  73.7123.793.469.30000114.3
525T30.9Very low30.6Very low127 Ų127132 Ų13278%0.77974%0.737SS**  cis-164.5173.98.100000107.6
526N29.8Very low30.3Very low140 Ų140132.1 Ų132.175%0.74974%0.742SS**  cis-152.2-162.813-151.1-12.6000112
527S28.1Very low30.4Very low92 Ų92136.4 Ų136.464%0.64375%0.748SS**  trans-14.7141.6156.656.50000118.3
528S29.8Very low30.2Very low114 Ų114138.5 Ų138.580%0.79775%0.75SS**  cis-162.1136.9-0.447.90000110.7
529N26.9Very low30.1Very low151 Ų151143.2 Ų143.281%0.80775%0.754SS**  trans-157.4158.8-178.9-146.6-17.5000111.8
530L27.8Very low30.1Very low132 Ų132142 Ų14269%0.69175%0.753SS**  trans61.995.2162.7-67160000120.7
531N29.7Very low29.7Very low166 Ų166144.7 Ų144.789%0.88876%0.761SS**  -108.9131.2128.5-76.2-26.3000106
532K26.8Very low29.5Very low165 Ų165147.8 Ų147.872%0.71777%0.766SS**  cis73.2126.39.4-125-168.6179.2-177.70116.6
533I27.9Very low29.2Very low158 Ų158149.9 Ų149.981%0.8177%0.771SS**  trans76.9136.2163-57.7158.6000116.7
534G32.9Very low29Very low64 Ų64148 Ų14866%0.6678%0.775SS**  trans147.272.3-179.200000112.4
535L31.6Very low28.8Very low154 Ų154149.6 Ų149.681%0.80678%0.781SS**  59.292.895.6-61.1173.7000112.8
536L25.4Very low28.7Very low150 Ų150149.6 Ų149.679%0.78578%0.783SS**  6488.174.8-164.186.6000114.4
537K33.8Very low28.5Very low196 Ų196150.3 Ų150.385%0.85279%0.786SS**  trans-140.3116.7149.5-67.6-172.8177.9179.20105.5
538Q27.5Very low28.6Very low160 Ų160153.6 Ų153.675%0.74880%0.795SS**  44.8116.775-68-172.8-1600112.8
539Y29.6Very low28.5Very low193 Ų193156.5 Ų156.576%0.75780%0.798SS**  -171.9126.8108.8-115.9-97.9000112.2
540N32.6Very low28.4Very low130 Ų130156.7 Ų156.770%0.69580%0.799SS**  trans51125.9154.6-64.82.5000123.2
541H26.6Very low28.5Very low180 Ų180157.4 Ų157.483%0.83381%0.809SS**  trans-47.6153146.5-55.4-82.3000112.6
542Y28.4Very low28.3Very low223 Ų223156 Ų15688%0.87581%0.807SS**  -150.2139.1126.1-109.2-75.2000111.6
543K25.6Very low28.3Very low191 Ų191153.3 Ų153.383%0.8381%0.809SS**  trans-76.2141.9164-65.2170.9177.9172.20108.7
544S28.9Very low28.5Very low119 Ų119155.5 Ų155.583%0.83281%0.813SS**  177.2135.6126.6-81.30000112.5
545T24Very low28.2Very low137 Ų137163.9 Ų163.984%0.8482%0.824SS**  trans-86126.6168.644.70000111.3
546P29.5Very low28.2Very low126 Ų126162.1 Ų162.182%0.81883%0.825SS**  trans-94.8100.8164.533.3-27.8000111
547N24.2Very low28.4Very low155 Ų155164.3 Ų164.383%0.82983%0.828SS**  trans-76.5127.6147.9-95.4-31.4000107
548I30Very low28Very low161 Ų161161.6 Ų161.683%0.82683%0.828SS**  trans-165.4139.3154.3-108150.3000112.7
549M28Very low28.2Very low176 Ų176159.3 Ų159.387%0.86783%0.827SS**  trans49.5118160.5-71.3178.315800122.6
550N25Very low27.9Very low154 Ų154160.2 Ų160.282%0.82484%0.835SS**  trans-47.4140.3148.1-56.6-57.9000112.9
551T30.7Very low27.7Very low147 Ų147161.4 Ų161.490%0.90284%0.84SS**  trans-142.3153.513537.60000109.5
552T25.4Very low27.7Very low137 Ų137158.1 Ų158.184%0.8483%0.833SS**  trans-118.7134.7-167.353.80000113
553S27.7Very low27.5Very low109 Ų109157 Ų15776%0.76283%0.833SS**  trans-147.6108156.1-158.60000114.7
554K30.4Very low27.7Very low203 Ų203157.8 Ų157.888%0.88384%0.837SS**  trans44.186142.3-62.1175.2-178.6173.70119
555R27.2Very low27.6Very low241 Ų241161 Ų16191%0.90984%0.836SS**PPolyproline II helixtrans-77.5117.7155.4-173.7-179.7-172.5177.74110.2
556S30.9Very low27.7Very low117 Ų117161.3 Ų161.382%0.81883%0.828SS**PPolyproline II helixtrans-73.8153.5173.751.60000111.8
557K30.5Very low27.5Very low195 Ų195161.2 Ų161.285%0.84882%0.82SS**PPolyproline II helixtrans-103.8134.3-170.5-63.2174.7-178.6173.50111.8P559K557-P559 WeakPolarHBondContact O-CD 3.49Å
558T25.7Very low27.6Very low139 Ų139164 Ų16485%0.85382%0.82SS**PPolyproline II helixtrans-77.3117.6156.649.10000109.8
559P30.4Very low27.6Very low112 Ų112163.7 Ų163.773%0.72782%0.819SS**PPolyproline II helixtrans-78.2133.8178.2-11.328.3000111.6K557K557-P559 WeakPolarHBondContact O-CD 3.49Å
560K24.7Very low27.5Very low213 Ų213160.5 Ų160.593%0.92681%0.81SS**PPolyproline II helixtrans-78.8129.7151.1-74.4-177.6176.9179.40107.3
561L28.2Very low27.6Very low154 Ų154161.7 Ų161.781%0.80681%0.81SS**  trans-137.6136.8169.1-116165.8000111.5
562T25.8Very low27.4Very low111 Ų111162.7 Ų162.768%0.68181%0.808SS**  trans-90.1152.1-174.745.50000112.4
563K25.8Very low27.5Very low201 Ų201160.9 Ų160.987%0.87481%0.807SS**  trans25.797.2150.3-67.2179.6175.41770116.5
564F29.1Very low27.5Very low207 Ų207166 Ų16691%0.90881%0.81SS**  trans-130.4162.3150.3-98.1-87.3000110.7
565K27.1Very low27.5Very low187 Ų187162.7 Ų162.781%0.81381%0.809SS**  trans-101.2170.3-165.7-65.4172.8-179.21650112.6D567K565-D567 PolarHBondContact O-N 3.47Å
566E26.2Very low27.6Very low142 Ų142158.2 Ų158.266%0.66480%0.802SS**  trans-35.6127.5146.9-50.2166.5104.500109K910E566-K910 VanDerWaalsContact CD-NZ 3.34Å; E566-K910 IonicContact OE1-NZ 2.69Å; E566-K910 PolarHBondContact OE1-NZ 2.86Å; E566-K910 IonicContact OE2-NZ 3.24Å; E566-K910 PolarHBondContact OE2-NZ 3.08Å
567D25.4Very low27.4Very low125 Ų125159.9 Ų159.967%0.66880%0.795SS**  -166.4-179.363-87.8-49.5000111.3K565K565-D567 PolarHBondContact O-N 3.47Å
568Y26.4Very low27.2Very low212 Ų212156.3 Ų156.383%0.83179%0.791SS**  trans92.1125.4164.8-74.4-86.1000121.5
569I29.6Very low27.3Very low155 Ų155155.8 Ų155.880%0.79578%0.779SS**  trans82.295.2151.9-61.1160.1000118
570T25Very low27.1Very low110 Ų110160.2 Ų160.268%0.67579%0.787SS**  trans-65.4150153.249.40000112.6
571H26.8Very low27.3Very low179 Ų179157.2 Ų157.283%0.82978%0.781SS**  -179.3178.4122-91.5-53.4000110.9
572I27.1Very low27.2Very low167 Ų167156.1 Ų156.186%0.85678%0.776SS**  trans69.487.9177.4-45.5175.8000115.5
573A28.5Very low27.4Very low99 Ų99158 Ų15882%0.81878%0.782SS**  trans16874.8140.700000110.6
574R27.1Very low27.4Very low217 Ų217154.7 Ų154.782%0.81977%0.773SS**  trans-110.1131.4162.5-82.2-175.4175.8172-1.2108.3L576R574-L576 PolarHBondContact O-N 2.88Å; R574-L576 VanDerWaalsContact O-N 3.14Å
575P30.1Very low27.6Very low133 Ų133152.7 Ų152.786%0.86477%0.772SS**  trans-65.6111156.328.8-30.4000107.4
576L29.3Very low27.6Very low148 Ų148150.9 Ų150.978%0.77577%0.772SS**  trans-79.2161.3173.8-76.3168.7000110.2R574R574-L576 PolarHBondContact O-N 2.88Å; R574-L576 VanDerWaalsContact O-N 3.14Å
577K27Very low27.9Very low152 Ų152151 Ų15166%0.66178%0.775SS**  trans-56.2150.4172.8-62.5166.4172.5174.60110.5E579K577-E579 HydrophobicContact CB-CG 3.98Å; K577-E579 HydrophobicContact CD-CG 3.71Å; K577-E579 WeakPolarHBondContact CD-OE1 3.49Å; K577-E579 WeakPolarHBondContact CE-OE1 3.46Å; K577-E579 IonicContact NZ-OE1 3.13Å; K577-E579 PolarHBondContact NZ-OE1 3.18Å; K577-E579 PolarHBondContact O-N 3.29Å
578P26.4Very low28.3Very low119 Ų119151.5 Ų151.577%0.77378%0.778SS**  trans-71.383.5151.832.2-31.7000108.8
579E28.2Very low28.4Very low128 Ų128148.5 Ų148.560%0.59877%0.771SS**  trans-83.7110.2164.1-81.9178.9169.300108.5K577 L581K577-E579 HydrophobicContact CB-CG 3.98Å; K577-E579 HydrophobicContact CD-CG 3.71Å; K577-E579 WeakPolarHBondContact CD-OE1 3.49Å; K577-E579 WeakPolarHBondContact CE-OE1 3.46Å; K577-E579 IonicContact NZ-OE1 3.13Å; K577-E579 PolarHBondContact NZ-OE1 3.18Å; K577-E579 PolarHBondContact O-N 3.29Å; E579-L581 PolarHBondContact O-N 3.35Å; E579-L581 VanDerWaalsContact O-N 3.08Å
580F25.4Very low28.4Very low205 Ų205150.9 Ų150.990%0.89977%0.771SS**  trans-61.9107.9174.6-73-100.3000109.4
581L28.5Very low28.6Very low151 Ų151151.4 Ų151.479%0.79177%0.77SS**  trans-126.988.6171-109.8164.7000109.9E579 N583E579-L581 PolarHBondContact O-N 3.35Å; E579-L581 VanDerWaalsContact O-N 3.08Å; L581-N583 PolarHBondContact O-N 3.44Å
582N26.2Very low28.8Very low131 Ų131146 Ų14670%0.70176%0.756SS**  trans-49.2126.6166.9-179.611.8000110.5
583N29.7Very low28.8Very low151 Ų151142.1 Ų142.181%0.80773%0.733SS**  trans-153.6119.1162-117.7-22.4000110.4L581L581-N583 PolarHBondContact O-N 3.44Å
584N26.5Very low28.9Very low130 Ų130141.8 Ų141.870%0.69572%0.717SS**  trans-66.9147.5-179.7-57.4-58.1000111.4
585N33.6Very low29.1Very low166 Ų166134.6 Ų134.689%0.88870%0.7SS**  -154.4137.3127.3-98.5-40.7000110.4
586N27.7Very low29Very low149 Ų149134.8 Ų134.880%0.79769%0.689SS**  trans-66.1162.5175.4-65.6-43.8000111.2
587I32.4Very low29Very low145 Ų145134.3 Ų134.374%0.74468%0.683SS**  -178.3124.7114.3-95.7159.1000110.4
588N33.1Very low28.9Very low134 Ų134133 Ų13372%0.71768%0.683SS**  trans61.2148.9158-602.2000118.9
589H28.4Very low29.3Very low149 Ų149135.2 Ų135.269%0.6969%0.688SS**  cis-174.6134.5-28.6-120.9-70.1000105.2
590Y29.8Very low29.3Very low205 Ų205134.8 Ų134.880%0.80470%0.699SS**  174.997.1127.2-106.8-80.4000112.4
591N29.3Very low29.5Very low122 Ų122131.2 Ų131.265%0.65269%0.689SS**  trans53.1111.8138.4-590.7000122.1
592A29.6Very low29.5Very low64 Ų64133.7 Ų133.753%0.52969%0.688SS.*  112.686.9109.400000121.4
593F28.3Very low29.4Very low87 Ų87133 Ų13338%0.38269%0.694SS.*  77.7125.2118.6-56.9-40.6000120.4S129 P130 K132S129-F593 VanDerWaalsContact CB-O 3.25Å; S129-F593 WeakPolarHBondContact CB-O 3.25Å; S129-F593 PolarHBondContact OG-O 3.28Å; P130-F593 HydrophobicContact CB-CB 3.34Å; P130-F593 HydrophobicContact CB-CD2 3.46Å; P130-F593 VanDerWaalsContact CB-CD2 3.46Å; P130-F593 HydrophobicContact CB-CG 3.71Å; P130-F593 HydrophobicContact CG-CD2 4.49Å; K132-F593 HydrophobicContact CB-CD1 4.26Å; K132-F593 HydrophobicContact CB-CE1 3.63Å; K132-F593 HydrophobicContact CB-CZ 3.85Å; K132-F593 HydrophobicContact CD-CE1 4.22Å; K132-F593 HydrophobicContact CD-CE2 4.36Å; K132-F593 HydrophobicContact CD-CZ 3.64Å; K132-F593 HydrophobicContact CG-CE1 3.7Å; K132-F593 HydrophobicContact CG-CZ 3.66Å
594I30.8Very low29.4Very low91 Ų91130.7 Ų130.747%0.46770%0.695SS.*  75.5135.865.3-67.2-179.4000110.2P130P130-I594 CarbonylContact C-O 3.55Å; P130-I594 WeakPolarHBondContact CA-O 3.37Å
595S30.2Very low29.4Very low67 Ų67133.5 Ų133.547%0.46970%0.701SS.*  cis-150.615837.1-5.40000118P130 S131P130-S595 PolarHBondContact O-OG 2.88Å; P130-S595 VanDerWaalsContact O-OG 3.07Å; S131-S595 PolarHBondContact N-OG 3Å
596E29.2Very low29.3Very low137 Ų137133.2 Ų133.264%0.6470%0.698SS**  49.3168124.8-56.1167.5123.500120.8
597Q28.2Very low29.3Very low137 Ų137132.3 Ų132.364%0.6469%0.693SS**  cis-144.3164.62-153.2103.744.500111.7
598D26.4Very low29Very low125 Ų125129.9 Ų129.967%0.66869%0.685SS**  trans-17.9144.6158.1-47.7-41.5000118.5
599L33.9Very low28.7Very low166 Ų166132 Ų13287%0.86969%0.688SS**  -174.8124.497.9-95.2168.6000112.3
600S28.8Very low28.8Very low119 Ų119133.2 Ų133.283%0.83269%0.694SS**  trans-91.8114.4161.8156.70000108.5
601D28.2Very low29Very low129 Ų129133.9 Ų133.969%0.6970%0.696SS**  trans-158.4159.3155.2-142.7-6.6000115.4
602R28.8Very low28.8Very low204 Ų204135.8 Ų135.877%0.7771%0.706SS**  trans52.691.5154.6-78.6164.3171.2-166-4.6120.4
603S24.3Very low28.8Very low117 Ų117143.4 Ų143.482%0.81872%0.722SS**  7.7115.1116.962.20000118.7
604A30.5Very low28.9Very low102 Ų102143.9 Ų143.984%0.84374%0.736SS**  trans-148126147.900000113.3
605K26.5Very low29.1Very low189 Ų189147.6 Ų147.682%0.82275%0.751SS**  trans-42.7172.1155.6-70.5165.4164.71740113.9
606I30.2Very low29Very low160 Ų160150.9 Ų150.982%0.82176%0.763SS**  trans85145.2158-66.1142.4000115.3
607N27.5Very low29Very low130 Ų130152.4 Ų152.470%0.69577%0.77SS**  cis-175.9153.2-33.2-161.17.1000106.9
608V27.7Very low29.3Very low94 Ų94152 Ų15257%0.5777%0.772SS**  trans56.5122141.2135.80000121.4
609K27Very low29.5Very low177 Ų177154 Ų15477%0.7778%0.783SS**  trans53120.6147.2-51.4167.6-160.3171.30118.9
610Q29.6Very low29.2Very low175 Ų175154.2 Ų154.282%0.81878%0.777SS**  -178.5123.296.9-97.3170.2-3.300111.4
611Y33.2Very low29.2Very low219 Ų219155 Ų15586%0.85977%0.771SS**  -167.975.6117.6-110.8-71.7000111.1
612N27Very low29.3Very low162 Ų162156 Ų15687%0.86677%0.771SS**  trans-78.9118163.8-77.71.8000109
613R28.5Very low29.2Very low224 Ų224154.4 Ų154.485%0.84577%0.772SS**  trans-171.3144.9153.1-113.8169.3-178.2179.5-0.4111.5
614S31.5Very low29.3Very low98 Ų98155 Ų15569%0.68577%0.765SS**  trans54.9129.2163.144.50000118.3
615H33.4Very low29.2Very low169 Ų169158.3 Ų158.378%0.78276%0.76SS**  cis-137.5134.2-16.2-88.9-86000105.7
616N28.3Very low29.1Very low135 Ų135156 Ų15672%0.72276%0.757SS**  58.4127.276.5-99.331.5000114.5
617E30.1Very low29.1Very low170 Ų170155.3 Ų155.379%0.79475%0.75SS**  trans74125.9168.9-62.7173.3-135.300116.5
618L34Very low28.9Very low127 Ų127154.8 Ų154.867%0.66575%0.747SS**  cis-127.4120.9-7.2-73.396.7000111.7
619D30Very low29.1Very low168 Ų168157 Ų15790%0.89876%0.764SS**SBendtrans-106.380.4153.8-164.34.2000107.1
620K28.1Very low28.9Very low171 Ų171153.9 Ų153.974%0.74376%0.755SS**  trans-177.2148-176.2-108.3155.2-172.3174.50110.8
621L28.3Very low28.8Very low136 Ų136150.2 Ų150.271%0.71274%0.741SS**  trans65.4118-179.7-43.7176.4000112.1
622H31.4Very low28.6Very low150 Ų150145.1 Ų145.169%0.69474%0.737SS**  cis-155.8129.70.2-92.8125.8000104
623Q26.4Very low28.5Very low169 Ų169147.7 Ų147.779%0.7974%0.736SS**  51.1127.550.1-151.5-170.490.900113.5
624I26.3Very low28.4Very low129 Ų129142.7 Ų142.766%0.66272%0.723SS**  trans88.6139.8176.2-52.1159.4000114.8
625K28Very low28.2Very low172 Ų172146 Ų14675%0.74873%0.727SS**  trans67.2103.5173.8-76.1153.2-167.7177.60115.5
626N25.1Very low28.1Very low140 Ų140145.1 Ų145.175%0.74973%0.727SS**  cis62.2140.522.5-129.741.4000112.9
627E28.9Very low28.1Very low147 Ų147145 Ų14569%0.68773%0.725SS**  trans71.1113.2175.4-61.6151.7-123.200117.8
628N25.3Very low28Very low118 Ų118146.7 Ų146.763%0.63173%0.729SS**  49.8129.3127.1-65.9-29.1000120.3L630N628-L630 HydrophobicContact CB-CB 4.27Å
629P30.3Very low27.8Very low142 Ų142149.9 Ų149.992%0.92274%0.738SS**  -107.397.792.230-35.9000113.7
630L24.2Very low27.6Very low111 Ų111149.4 Ų149.458%0.58173%0.728SS**  trans-69.9146.9148.5-124.6157.9000107.8N628N628-L630 HydrophobicContact CB-CB 4.27Å
631N25.9Very low27.7Very low98 Ų98146.8 Ų146.852%0.52473%0.728SS.*  trans71.991.8169.9-52.9-47.7000118.7Q634N631-Q634 PolarHBondContact OD1-NE2 3.47Å
632S29.3Very low27.6Very low111 Ų111145.1 Ų145.178%0.77672%0.72SS**SBend178.9124.3116.440.60000109.1
633Y26.3Very low27.5Very low216 Ų216141.1 Ų141.185%0.84772%0.719SS**  cis-109.2146.3-8.5-84.2-116.5000107.1
634Q25.5Very low27.6Very low120 Ų120139.2 Ų139.256%0.56172%0.715SS**  cis54.3102.826.3-79.9-140.53200115.4N631N631-Q634 PolarHBondContact OD1-NE2 3.47Å
635Q28.1Very low27.6Very low166 Ų166139.7 Ų139.778%0.77672%0.719SS**  trans74.5133.6-179.7-45.5170.140.300110.9
636I29.6Very low27.6Very low152 Ų152138.3 Ų138.378%0.77972%0.72SS**  cis-128.4129.440.7-81.5171.7000114
637I29.1Very low27.7Very low133 Ų133139 Ų13968%0.68272%0.723SS**  trans44.6109.6141.5-56.4177.2000117.8
638K27.9Very low27.7Very low205 Ų205138.9 Ų138.989%0.89173%0.726SS**  56.263.272.6-70.4-170.1172.5-1780116.4
639K30.7Very low28Very low193 Ų193138.3 Ų138.384%0.83972%0.723SS**  trans-144.3128.2145.7-78.7-162.7179.3-179.50107.2
640K25.4Very low27.9Very low158 Ų158136.2 Ų136.269%0.68770%0.704SS**  cis55117.114.9-85.4-172.1176.9-108.60113.8N642K640-N642 VanDerWaalsContact CD-OD1 3.23Å; K640-N642 WeakPolarHBondContact CD-OD1 3.21Å; K640-N642 WeakPolarHBondContact CE-OD1 3.37Å; K640-N642 WeakPolarHBondContact CG-OD1 3.25Å; K640-N642 PolarHBondContact NZ-OD1 3.46Å
641P29.9Very low28.2Very low117 Ų117137 Ų13776%0.7671%0.707SS**  cis-77.7151.943.133.3-40.4000114.9
642N27Very low28.3Very low100 Ų100135.4 Ų135.454%0.53570%0.696SS.*  cis69.1148.143.4-58.7-3.2000112K640K640-N642 VanDerWaalsContact CD-OD1 3.23Å; K640-N642 WeakPolarHBondContact CD-OD1 3.21Å; K640-N642 WeakPolarHBondContact CE-OD1 3.37Å; K640-N642 WeakPolarHBondContact CG-OD1 3.25Å; K640-N642 PolarHBondContact NZ-OD1 3.46Å
643G29.1Very low28.2Very low66 Ų66135.3 Ų135.368%0.6869%0.687SS**  trans77.874.7-158.200000108.9
644D27.3Very low28.2Very low130 Ų130130.3 Ų130.370%0.69568%0.684SS**  cis70.3112.549.2-49.6-51.8000112.6
645N27.6Very low28.2Very low139 Ų139130.8 Ų130.874%0.74370%0.695SS**  trans69.8143.6149.2-59.3-0.1000121.7
646D27.3Very low28.1Very low143 Ų143129.1 Ų129.177%0.76570%0.7SS**  trans59113.2145.2-52.9-20.1000121.3
647N28Very low27.9Very low154 Ų154132.3 Ų132.382%0.82470%0.702SS**  54148.1126.1-98.3-0000122.5
648I28.9Very low27.9Very low145 Ų145135.4 Ų135.474%0.74471%0.713SS**  trans90.897.6163.6-54.4146.9000117.2
649D29.8Very low27.9Very low105 Ų105130.1 Ų130.156%0.56170%0.702SS**  51.4125.6126.6-50.3-15000125
650N28.6Very low27.9Very low98 Ų98126.2 Ų126.252%0.52470%0.699SS.*  trans77.4165.9141.7-59-26.4000122.1I865N650-I865 PolarHBondContact OD1-O 2.95Å
651I31.6Very low28Very low129 Ų129128.2 Ų128.266%0.66270%0.704SS**  trans85153.1168.1-53.6164.4000117.2I863 S864 I865I651-I863 HydrophobicContact CG1-CG2 4.33Å; I651-I863 HydrophobicContact CG2-CG2 4.15Å; I651-S864 WeakPolarHBondContact CA-O 3.26Å; I651-S864 PolarHBondContact N-O 2.86Å; I651-I865 WeakPolarHBondContact O-CG2 3.44Å
652Q28.4Very low27.9Very low63 Ų63131.3 Ų131.329%0.29471%0.708SS.*  -135.9152.6-94.2-154.1-1671.500114.3I863 S864 I865Q652-I863 HydrophobicContact CB-CG2 4.18Å; Q652-S864 WeakPolarHBondContact CB-O 3.48Å; Q652-S864 VanDerWaalsContact CG-C 3.43Å; Q652-S864 WeakPolarHBondContact CG-O 3.25Å; Q652-S864 PolarHBondContact NE2-OG 3.2Å; Q652-I865 HydrophobicContact CB-CB 4.03Å; Q652-I865 HydrophobicContact CB-CG1 4.31Å; Q652-I865 HydrophobicContact CG-CB 3.61Å; Q652-I865 HydrophobicContact CG-CD1 4.33Å; Q652-I865 HydrophobicContact CG-CG1 3.6Å
653L26.1Very low28.1Very low110 Ų110136 Ų13658%0.57672%0.718SS**  trans72.1119145.8-98.7168.8000117.6
654S27Very low28.2Very low111 Ų111139.3 Ų139.378%0.77672%0.72SS**  -164.8143.294.3330000111.9
655T25.1Very low28.4Very low129 Ų129140.1 Ų140.179%0.79172%0.724SS**  trans-87.8143.9167.237.70000109.6
656C26.1Very low28.5Very low131 Ų131139.9 Ų139.989%0.88572%0.722SS**  trans-125.1135165.8-87.70000110.4
657R25.5Very low28.7Very low219 Ų219143.1 Ų143.183%0.82673%0.73SS**  trans-98.6147176.3-63.7173.1174.5169.4-3.2109.8S659R657-S659 PolarHBondContact O-OG 3.32Å
658H29.6Very low28.8Very low199 Ų199144.3 Ų144.392%0.92173%0.728SS**  trans-108.2119146.7-65.4156.9000106.7
659S27.1Very low28.9Very low93 Ų93143.3 Ų143.365%0.6573%0.73SS**  cis94.992.917.3-48.40000115.2R657R657-S659 PolarHBondContact O-OG 3.32Å
660S31.6Very low29Very low111 Ų111145 Ų14578%0.77674%0.74SS**  trans169.4138.3142.541.60000108.3
661Y26.4Very low29.1Very low200 Ų200149.4 Ų149.478%0.78476%0.757SS**  cis-108.8138.46.2-99.3-109.1000113.6
662E27.2Very low29.1Very low182 Ų182150.9 Ų150.985%0.8577%0.766SS**  trans-118.4158.2149.6-79-168.9169.600108.9
663R31.2Very low29.2Very low199 Ų199153.5 Ų153.575%0.75179%0.789SS**  trans-163.3151.8139.2-124.5176.9-76.9-176.2-4.1113.4
664N32.6Very low29.5Very low135 Ų135155.9 Ų155.972%0.72280%0.8SS**  trans78.457159.9-56.9-9.6000119
665L30.3Very low29.7Very low147 Ų147156.2 Ų156.277%0.7779%0.794SS**  32.5137.3107.9-69.8165.9000120.6
666N30.1Very low30.1Very low134 Ų134156.5 Ų156.572%0.71780%0.795SS**  trans73.492.5144.2-60.6-18.1000120.2
667K31.3Very low30.4Very low212 Ų212157.7 Ų157.792%0.92279%0.787SS**  -166.1174.6112.1-102.5157-170.4175.60112.9
668K31.2Very low30.6Very low179 Ų179152.2 Ų152.278%0.77878%0.782SS**  trans-55.7157.1-170.2-66.9-177.3172.6-170.40114.4
669P29.4Very low30.7Very low123 Ų123151 Ų15180%0.79978%0.78SS**  trans-78.1127.4165.832.8-31.9000111
670D32.5Very low30.8Very low142 Ų142153.9 Ų153.976%0.75978%0.784SS**  trans-137.1107.7163-69-59.7000107.2
671E30.8Very low30.4Very low190 Ų190154.2 Ų154.289%0.88878%0.783SS**SBendtrans53145.7158.5-55.4-171.7146.900124.5
672D31.7Very low30.5Very low159 Ų159152 Ų15285%0.8578%0.783SS**  trans64.5120.5160.5-76.86.6000124.8
673P30.1Very low30.4Very low119 Ų119150.3 Ų150.377%0.77378%0.779SS**  trans-119.2138.4173.439.2-28000116
674I32.5Very low30.2Very low159 Ų159147.4 Ų147.482%0.81578%0.777SS**  trans-143.4117169.8-64.3-175.5000113.4
675N30.7Very low30Very low119 Ų119147.8 Ų147.864%0.63677%0.774SS**  trans54.4155.7159-88.8-61.3000119.5H677N675-H677 PolarHBondContact OD1-CE1 2.85Å; N675-H677 PolarHBondContact OD1-ND1 3.44Å
676V33.7Very low29.9Very low135 Ų135149.7 Ų149.782%0.81877%0.771SS**  cis-139.1122.137.8172.80000113.5
677H32.6Very low29.8Very low156 Ų156150.4 Ų150.472%0.72277%0.77SS**  trans23.1122.9143.8-71.947.6000120.9N675N675-H677 PolarHBondContact OD1-CE1 2.85Å; N675-H677 PolarHBondContact OD1-ND1 3.44Å
678S30.4Very low29.6Very low103 Ų103147.9 Ų147.972%0.7276%0.756SS**  trans-93146.8150.965.90000110.9
679I30.5Very low29.4Very low173 Ų173143 Ų14389%0.88775%0.748SS**  trans-89114.1-178.9-60.2175000109.6
680Q29.9Very low29.1Very low155 Ų155143.1 Ų143.172%0.72475%0.752SS**  trans-96.8151.8167.3-67.7-165.216.200111.2I682Q680-I682 PolarHBondContact O-N 2.85Å
681P24Very low29.1Very low118 Ų118144.3 Ų144.377%0.76675%0.751SS**  trans-67.512417727.7-34.4000111.2I683P681-I683 PolarHBondContact O-N 3.12Å; P681-I683 VanDerWaalsContact O-N 3.12Å
682I27.9Very low28.8Very low152 Ų152143.4 Ų143.478%0.77975%0.752SS**  trans-71.1107.8-178.6-59.1174.1000110Q680 I684Q680-I682 PolarHBondContact O-N 2.85Å; I682-I684 HydrophobicContact CG2-CG1 3.87Å; I682-I684 PolarHBondContact O-N 2.96Å
683I25.9Very low28.8Very low148 Ų148142.6 Ų142.676%0.75975%0.747SS**  trans-77.7100.2167.7-60.1176.4000107.9P681 Q685P681-I683 PolarHBondContact O-N 3.12Å; P681-I683 VanDerWaalsContact O-N 3.12Å; I683-Q685 VanDerWaalsContact C-N 3.29Å; I683-Q685 PolarHBondContact O-N 2.85Å
684I26.9Very low28.7Very low138 Ų138145.3 Ų145.371%0.70875%0.749SS**  trans-75.784.1174.6-55.2-179.6000109.4I682 R686I682-I684 HydrophobicContact CG2-CG1 3.87Å; I682-I684 PolarHBondContact O-N 2.96Å; I684-R686 HydrophobicContact CG2-CG 4.29Å; I684-R686 PolarHBondContact O-N 2.71Å; I684-R686 VanDerWaalsContact O-N 3.11Å
685Q27.5Very low28.5Very low142 Ų142142.7 Ų142.766%0.66475%0.745SS**  trans-79.385.8174.8-170.7167.1-1000109.9I683 H687I683-Q685 VanDerWaalsContact C-N 3.29Å; I683-Q685 PolarHBondContact O-N 2.85Å; Q685-H687 PolarHBondContact O-N 3Å
686R27.8Very low28.5Very low187 Ų187145.5 Ų145.571%0.70675%0.754SS**  trans-65.396.5173.4-79.2-165.7178-167.22.4110.5I684 Y688I684-R686 HydrophobicContact CG2-CG 4.29Å; I684-R686 PolarHBondContact O-N 2.71Å; I684-R686 VanDerWaalsContact O-N 3.11Å; R686-Y688 PolarHBondContact O-N 3.45Å
687H28.5Very low28.2Very low150 Ų150144.1 Ų144.169%0.69475%0.75SS**  trans-69.6104165.9-83.3-97.6000110.2Q685 A689Q685-H687 PolarHBondContact O-N 3Å; H687-A689 VanDerWaalsContact C-N 3.35Å; H687-A689 PolarHBondContact O-N 2.8Å
688Y27.4Very low28Very low159 Ų159143.1 Ų143.162%0.62476%0.758SS**  trans-71.894.4159.3-73.5-67.5000108.6R686 S690R686-Y688 PolarHBondContact O-N 3.45Å; Y688-S690 PolarHBondContact O-N 2.74Å; Y688-S690 VanDerWaalsContact O-N 3.13Å
689A27Very low27.9Very low75 Ų75142.5 Ų142.562%0.6275%0.753SS**  trans-80.689.5-176.200000111.5H687 K691H687-A689 VanDerWaalsContact C-N 3.35Å; H687-A689 PolarHBondContact O-N 2.8Å; A689-K691 PolarHBondContact O-N 2.75Å
690S23.6Very low27.8Very low126 Ų126141 Ų14188%0.88175%0.747SS**  trans-63.694.2164.5-59.50000110Y688Y688-S690 PolarHBondContact O-N 2.74Å; Y688-S690 VanDerWaalsContact O-N 3.13Å
691K31.3Very low27.8Very low168 Ų168141.4 Ų141.473%0.7375%0.749SS**  trans-127.188.5177-77.2-166.4175.4-172.30112.3A689A689-K691 PolarHBondContact O-N 2.75Å
692N25.8Very low27.9Very low170 Ų170144.4 Ų144.491%0.90975%0.75SS**  trans-74.7109.5134.8-76.2-21.1000106.1
693L31.7Very low27.9Very low143 Ų143145.6 Ų145.675%0.74976%0.758SS**  trans-162.7125.7166.2-112.6163.3000111.6
694H26.7Very low28Very low176 Ų176141.4 Ų141.482%0.81575%0.752SS**  trans-64.4152.5-176-4985.4000114.7
695S28Very low28Very low104 Ų104143 Ų14373%0.72776%0.756SS**  trans-154.6122.7147.6-47.80000111.3
696E31.6Very low28Very low177 Ų177142.9 Ų142.983%0.82776%0.759SS**  trans52.293.7138.4-68.7151.4-176.600121.4
697S27.7Very low28.2Very low107 Ų107139 Ų13975%0.74876%0.761SS**  50.7134.7113.1-55.80000120.4
698P27.7Very low27.9Very low134 Ų134136.8 Ų136.887%0.8776%0.761SS**  -118.7153.166.137.2-34.4000115.3
699S28.9Very low27.9Very low90 Ų90138.5 Ų138.563%0.62977%0.767SS**  trans-108.3158.6172.354.10000111.5
700N28.3Very low28.2Very low142 Ų142140.2 Ų140.276%0.75977%0.772SS**  trans58.5101.8161.5-54.5-19.5000118.1
701H29.1Very low28.3Very low164 Ų164138.2 Ų138.276%0.75976%0.758SS**  -179.4147.5107.4-100.6-79.8000111.4
702F26.7Very low28.1Very low181 Ų181138.7 Ų138.779%0.79476%0.763SS**  trans61126.9-174.6-59.6-89.1000115.1
703N27.6Very low28.2Very low176 Ų176139 Ų13994%0.94176%0.759SS**  cis53.160.92.7-101.115.3000114.3
704G28.1Very low28Very low61 Ų61137.1 Ų137.163%0.62976%0.757SS**  trans-148.971.3-17500000112.2
705H27.4Very low28Very low172 Ų172135.6 Ų135.680%0.79675%0.754SS**  trans-24.1122.9168.9-171.9-95.7000117
706L27Very low28.1Very low139 Ų139137 Ų13773%0.72875%0.753SS**  trans46.2122.5138.3-151.885.3000119.8
707S31.4Very low27.9Very low106 Ų106134.7 Ų134.774%0.74175%0.746SS**  170.2162.7117.344.80000112.4
708C23.2Very low28Very low103 Ų103135.2 Ų135.270%0.69674%0.74SS**  trans-90.3150162.4-65.20000109.1
709Y28.2Very low27.9Very low195 Ų195133.9 Ų133.977%0.76573%0.73SS**  trans70.7153.1-178.5-62.4-88.6000116.3
710P31.9Very low28Very low111 Ų111138.4 Ų138.472%0.72174%0.738SS**  cis-131.8171.7-27.235.6-19.6000113.8
711S26.3Very low28.2Very low83 Ų83137.1 Ų137.158%0.5874%0.735SS**  trans-94.5149.7149.754.10000110
712E26.9Very low28.2Very low179 Ų179135.7 Ų135.784%0.83673%0.733SS**  trans87.9146.5167.3-52.7-176.2-179.100118.6
713E28.4Very low28.3Very low177 Ų177133.8 Ų133.883%0.82773%0.73SS**  trans56.487168.9-53.9-153.8142.900122.2
714S26.8Very low28.7Very low102 Ų102128.5 Ų128.571%0.71372%0.718SS**  99.2136.6117.185.90000121.2
715L27.2Very low28.9Very low144 Ų144132.2 Ų132.275%0.75472%0.723SS**  trans61.3108.1144.7-60.9165.2000121.6
716I29.9Very low29.2Very low135 Ų135129.8 Ų129.869%0.69272%0.716SS**  79103.2122.3-68179.5000119
717N27.5Very low29.6Very low127 Ų127129 Ų12968%0.67971%0.712SS**  72.6147.9127.4-74.440.4000124.8
718D28.9Very low29.7Very low119 Ų119130.9 Ų130.964%0.63671%0.709SS**  trans6584.4135.4-61.5-30.1000122.7
719T26.8Very low30.2Very low106 Ų106130.8 Ų130.865%0.6570%0.701SS**  63.6160.1118.2740000122.4
720K30.9Very low30.6Very low184 Ų184128.2 Ų128.280%0.870%0.696SS**  trans83.1135.4144.5-82.8164.5-170.2161.70120.7
721V31.5Very low30.6Very low115 Ų115127.7 Ų127.770%0.69769%0.687SS**  trans9392.4133.1167.90000120.1
722L28.9Very low30.8Very low135 Ų135129.5 Ų129.571%0.70769%0.691SS**  72.2133.2116.9-91.158.6000123.8
723N29.3Very low31.1Very low140 Ų140127 Ų12775%0.74968%0.683SS**  trans85141.1131.8-68.7-7.7000122.6
724G35.6Very low31.1Very low66 Ų66122.9 Ų122.968%0.6867%0.673SS**  trans137.950.5179.200000112.2
725L34Very low31.1Very low139 Ų139124.5 Ų124.573%0.72867%0.673SS**  59127.791.5-61.7173.2000113
726N32.6Very low31.1Very low121 Ų121123.9 Ų123.965%0.64767%0.67SS**  cis-164.8166.96.7-1390.5000113
727N35.3Very low31Very low123 Ų123123.4 Ų123.466%0.65867%0.669SS**  trans68138.2151-69.3-9.8000120.1
728H33.5Very low30.8Very low144 Ų144123.6 Ų123.667%0.66766%0.661SS**  cis-167.5143-12.3-147.732.1000110.8
729N33.9Very low30.7Very low101 Ų101125.7 Ų125.754%0.5466%0.661SS.*  trans55.5160.1145.5-67.86.5000120.2
730H35.8Very low30.5Very low141 Ų141125 Ų12565%0.65365%0.653SS**  cis-171.1162.4-16.2-100.4-22.7000104.7
731N33.4Very low30.3Very low101 Ų101126.1 Ų126.154%0.5465%0.654SS.*  cis-163.7160.50.2-115.3-17000108.8
732N30.3Very low29.9Very low121 Ų121124.1 Ų124.165%0.64765%0.645SS**  trans43.9141134-54.7-6.2000120.6
733N31.9Very low29.7Very low127 Ų127126 Ų12668%0.67965%0.651SS**  cis-155161.15.5-99.7-12.5000107.2
734S28.5Very low29.5Very low89 Ų89124.4 Ų124.462%0.62265%0.65SS**  59137.462.1124.30000113.3
735I26.9Very low29.2Very low137 Ų137128.9 Ų128.970%0.70366%0.658SS**  cis-161.1148.7-6.2-132.3165.1000108.2
736N27.2Very low28.9Very low130 Ų130127.2 Ų127.270%0.69566%0.655SS**  trans54.6-171.2175.9-46.5-7.8000114.7
737D28.2Very low28.6Very low125 Ų125130.8 Ų130.867%0.66866%0.661SS**  cis-143.8144.30.2-118.3-45.4000111.4
738Y23.8Very low28.1Very low132 Ų132129.7 Ų129.752%0.51866%0.655SS.*  trans30.1150.5135.3-105.8-76.4000123.9N804Y738-N804 PolarHBondContact OH-ND2 2.98Å
739Y25.7Very low27.8Very low163 Ų163130.9 Ų130.964%0.63966%0.655SS**  trans82.1157.6164.3-76.9-85000120.2H800Y739-H800 AromaticContact CD1-CE1 3.54Å; Y739-H800 AromaticContact CE1-CE1 3.27Å; Y739-H800 WeakPolarHBondContact CE1-CE1 3.34Å; Y739-H800 AromaticContact CE1-ND1 3.3Å; Y739-H800 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H800 WeakPolarHBondContact CE1-ND1 3.21Å; Y739-H800 AromaticContact CZ-CE1 3.95Å
740N23.4Very low27.4Very low90 Ų90130 Ų13048%0.48165%0.65SS.*  trans-53.7152.9-178.4-35.7-62000113.2H800N740-H800 PolarHBondContact ND2-CD2 2.93Å; N740-H800 VanDerWaalsContact ND2-CD2 3.31Å; N740-H800 PolarHBondContact ND2-NE2 3.49Å; N740-H800 PolarHBondContact OD1-CD2 3.33Å; N740-H800 PolarHBondContact OD1-NE2 3.48Å
741Y26.4Very low26.8Very low208 Ų208127.6 Ų127.682%0.81664%0.636SS**  -156.9159.298.3-128.5-106.3000114.7
742S23.2Very low26.6Very low74 Ų74126.3 Ų126.352%0.51763%0.629SS.*  trans-59.1165.5169.5-40.20000113.3
743Q25.6Very low26.6Very low175 Ų175123 Ų12382%0.81862%0.624SS**  trans72.1146.1157-62.7153.79.500115.6
744S24.2Very low26.4Very low106 Ų106123.5 Ų123.574%0.74162%0.617SS**  cis-164.3165.9-11.644.60000110.9
745L29.7Very low26.4Very low159 Ų159126.1 Ų126.183%0.83262%0.624SS**  trans-37.3144164.6-73.1141.9000113.4
746P28.5Very low26.5Very low105 Ų105125.2 Ų125.268%0.68263%0.63SS**  -137.6139.8102.535.7-24.4000115.5
747Y25.2Very low26.6Very low195 Ų195127.5 Ų127.577%0.76564%0.639SS**  36.7145124-59.6-74.4000120.4
748N25.8Very low26.5Very low100 Ų100128.6 Ų128.654%0.53565%0.645SS.*  cis-169.6154.718.6-129.6-19.9000115.5
749Y25.6Very low26.6Very low169 Ų169129.3 Ų129.366%0.66366%0.657SS**  trans60.3155.1143.8-68.9-33.5000122.8
750N25.3Very low26.6Very low83 Ų83126 Ų12644%0.44465%0.654SS.*  cis-144.1157-0.2-131.9-25.4000118.7Y935 N936N750-Y935 CarbonylContact O-C 3.52Å; N750-Y935 VanDerWaalsContact O-CA 3.27Å; N750-Y935 WeakPolarHBondContact O-CA 3.39Å; N750-Y935 WeakPolarHBondContact O-CD1 3.41Å; N750-N936 PolarHBondContact O-N 3.14Å
751Y25.1Very low26.8Very low90 Ų90130.4 Ų130.435%0.35367%0.669SS.*BIsolated β-bridgetrans-86.5169.6-163.2173.6-103.2000116.6Y754 E934 Y935 N936Y751-Y754 PolarHBondContact OH-OH 3.4Å; Y751-E934 VanDerWaalsContact CA-O 3.3Å; Y751-E934 WeakPolarHBondContact CA-O 3.4Å; Y751-E934 WeakPolarHBondContact CD2-O 3.32Å; Y751-Y935 VanDerWaalsContact C-C 3.42Å; Y751-N936 CarbonylContact C-O 3.58Å; Y751-N936 CarbonylContact O-C 3.18Å; Y751-N936 PolarHBondContact O-N 2.57Å
752N28.4Very low26.9Very low75 Ų75129 Ų12940%0.40168%0.675SS.*  trans115.235.5164.6-56.3-75.3000121.9Y754 E934 Y935 N936N752-Y754 HydrophobicContact CB-CD2 4.23Å; N752-Y754 HydrophobicContact CB-CE2 3.9Å; N752-Y754 WeakPolarHBondContact O-CD2 3.49Å; N752-E934 PolarHBondContact N-O 3.13Å; N752-Y935 CarbonylContact C-O 3.58Å; N752-Y935 PolarHBondContact N-O 3.38Å; N752-N936 WeakPolarHBondContact CB-O 3.23Å
753G29.6Very low27.1Very low51 Ų51129.1 Ų129.153%0.52668%0.676SS.*  trans-83.8-33.4-175.600000118.6Y935G753-Y935 VanDerWaalsContact CA-O 3.26Å; G753-Y935 WeakPolarHBondContact CA-O 3.43Å; G753-Y935 PolarHBondContact N-O 2.88Å
754Y28.9Very low27.2Very low138 Ų138129.4 Ų129.454%0.54167%0.669SS.*  trans58.8130.3163.9-75.5-71.2000124.1Y751 N752Y751-Y754 PolarHBondContact OH-OH 3.4Å; N752-Y754 HydrophobicContact CB-CD2 4.23Å; N752-Y754 HydrophobicContact CB-CE2 3.9Å; N752-Y754 WeakPolarHBondContact O-CD2 3.49Å
755N27.7Very low27.4Very low143 Ų143132 Ų13277%0.76567%0.673SS**  trans66104.6141.7-61.4-27.9000120.5
756S30.4Very low27.3Very low118 Ų118135.2 Ų135.283%0.82568%0.676SS**  -169.8102.788.7-164.90000113.4
757M27.9Very low27.1Very low179 Ų179140.9 Ų140.988%0.88268%0.684SS**  trans23.4119.8155-124.8113.517600120.3
758N27.4Very low27.3Very low148 Ų148140.6 Ų140.679%0.79169%0.686SS**  trans-59.3-179.3144.1-84.3-49.6000111.1
759D25.5Very low27.5Very low146 Ų146143.8 Ų143.878%0.78170%0.701SS**  trans71.884.4-178.7-61.1-30.4000116.9
760T25.1Very low27.5Very low95 Ų95143.4 Ų143.458%0.58371%0.711SS**SBend178.580.7122.330.20000113.4
761K27.2Very low27.7Very low181 Ų181148 Ų14879%0.78773%0.729SS**SBendtrans-150.1-37.6159.6-111.4150.7-172.5176.90115.9S763 R764K761-S763 PolarHBondContact O-N 3.18Å; K761-S763 VanDerWaalsContact O-N 3.08Å; K761-R764 PolarHBondContact O-N 3.16Å
762L28.7Very low27.8Very low179 Ų179153.3 Ų153.394%0.93775%0.754SS**THydrogen-bonded Turntrans-61.8-18.4176.9-121.870.7000114.1
763S27.9Very low28Very low77 Ų77158.9 Ų158.954%0.53878%0.778SS.*THydrogen-bonded Turntrans-92.51.5-179.355.50000115.6K761K761-S763 PolarHBondContact O-N 3.18Å; K761-S763 VanDerWaalsContact O-N 3.08Å
764R27.6Very low27.8Very low180 Ų180161.5 Ų161.568%0.67979%0.786SS**SBendtrans-96.4-10.7-173.4-83.5-173.1177.7169.84.5117K761K761-R764 PolarHBondContact O-N 3.16Å
765I29.1Very low27.7Very low160 Ų160162.5 Ų162.582%0.82180%0.801SS**SBendtrans-87.1-28.2175.4-63.3-179.2000111.7R767I765-R767 VanDerWaalsContact C-N 3.26Å; I765-R767 PolarHBondContact O-N 3.01Å
766Y25.6Very low27.9Very low228 Ų228167.5 Ų167.589%0.89481%0.809SS**SBendtrans-78.910.5177.3-93.5-78.7000115.9
767R26Very low27.8Very low224 Ų224170 Ų17085%0.84581%0.811SS**SBendtrans-129.946.1-178.4-157.1177.5-78.1-167.2-2.8113.8I765I765-R767 VanDerWaalsContact C-N 3.26Å; I765-R767 PolarHBondContact O-N 3.01Å
768K28Very low28.1Very low189 Ų189168.1 Ų168.182%0.82280%0.804SS**SBendtrans-140.815.7175.9-118.2-179.5-174.4-179.40119
769I30.3Very low28.2Very low166 Ų166166.8 Ų166.885%0.85180%0.803SS**SBendtrans-130.688.2153.1-62.490.5000108.3
770N26.2Very low28.4Very low161 Ų161171.3 Ų171.386%0.86181%0.809SS**  trans-152.842.9166-131.4-10.6000113.4
771H29.8Very low28.7Very low179 Ų179178.1 Ų178.183%0.82982%0.824SS**SBendtrans-135.4125.9166.8-80.9-34.6000109.6
772K27.7Very low28.9Very low203 Ų203175.1 Ų175.188%0.88382%0.823SS**SBendtrans71.284-179.3-49168.1-175.5169.50115.9
773Q31.8Very low28.9Very low191 Ų191177.8 Ų177.889%0.89382%0.821SS**  -162.7135.6113.9-75.1-1408.500109.8
774P25.7Very low29Very low107 Ų107179.7 Ų179.770%0.69583%0.834SS**  trans-89.8159.5170.235.6-33000112.5
775N27Very low28.9Very low159 Ų159177.1 Ų177.185%0.8583%0.833SS**  trans64.580.6164.2-59.5-7.5000118.3
776R30.8Very low29Very low247 Ų247176.7 Ų176.793%0.93283%0.831SS**  trans-152.9118.7141.9-137.6173.5-175.5178.70.2112.4
777I29Very low29.1Very low170 Ų170173.5 Ų173.587%0.87282%0.824SS**PPolyproline II helixtrans-82.1135.8176.6-63.3168.1000109.2
778L33.2Very low29.2Very low140 Ų140169.2 Ų169.273%0.73382%0.818SS**PPolyproline II helixtrans-97.4135.1171.3-72168.5000110
779P30.6Very low29.3Very low120 Ų120165.3 Ų165.378%0.77981%0.81SS**PPolyproline II helixtrans-75.5127.3171.330.6-32.1000110.5
780R28.8Very low29.1Very low242 Ų242167.2 Ų167.291%0.91381%0.808SS**PPolyproline II helixtrans-73.3145.8169.5-71.6179.3172.7168.2-3.1110.1
781R32.1Very low29.2Very low238 Ų238166 Ų16690%0.89880%0.802SS**PPolyproline II helixtrans-74.1141.6162.1-76.7179.5171.3171-5.2108.7
782P30.5Very low29.1Very low117 Ų117164 Ų16476%0.7680%0.797SS**PPolyproline II helixtrans-69.3146.3166.331-33.7000110.2
783R28.4Very low29.2Very low235 Ų235162.2 Ų162.289%0.88779%0.792SS**  trans-107.8129.6161.2-76-174.3169.5-152.7-2.7107.2
784S30.4Very low28.9Very low117 Ų117160.7 Ų160.782%0.81879%0.79SS**  trans-75.5140.6171.447.60000110.6
785L27.1Very low29.2Very low126 Ų126163.6 Ų163.666%0.6679%0.793SS**  trans-58.8142.7177.4-76.766.3000112Q787L785-Q787 HydrophobicContact CD2-CG 4.47Å
786I30.7Very low29.2Very low152 Ų152164 Ų16478%0.77979%0.79SS**  trans-120.5136.3142.5-66.3179.6000105.6
787Q26.9Very low29.1Very low161 Ų161158.7 Ų158.775%0.75278%0.78SS**  trans-100.492.1-173.9-65.4175.7-85.400110.8L785 T789L785-Q787 HydrophobicContact CD2-CG 4.47Å; Q787-T789 PolarHBondContact O-N 2.92Å
788D28.5Very low29Very low133 Ų133158.1 Ų158.171%0.71178%0.778SS**  trans-89.292.3167.5-70.5-41.8000109.9Y790D788-Y790 PolarHBondContact O-N 3.5Å
789T30.5Very low28.7Very low108 Ų108158.8 Ų158.866%0.66378%0.782SS**  trans-71.996.7179.4-560000110.7Q787 N791Q787-T789 PolarHBondContact O-N 2.92Å; T789-N791 VanDerWaalsContact C-N 3.28Å; T789-N791 PolarHBondContact O-N 3.19Å
790Y26.2Very low28.5Very low206 Ų206157.4 Ų157.481%0.80877%0.765SS**  trans-65.677.5173.7-90.9-92000112.9D788 N792D788-Y790 PolarHBondContact O-N 3.5Å; Y790-N792 PolarHBondContact O-N 3.48Å; Y790-N792 VanDerWaalsContact O-N 3.15Å
791N28.9Very low28.5Very low136 Ų136154.3 Ų154.373%0.72776%0.761SS**  trans-82.382.8166.5-88-4.8000110.6T789 H793T789-N791 VanDerWaalsContact C-N 3.28Å; T789-N791 PolarHBondContact O-N 3.19Å; N791-H793 PolarHBondContact O-N 3.44Å; N791-H793 VanDerWaalsContact O-N 3.08Å
792N27Very low28.4Very low137 Ų137150.2 Ų150.273%0.73376%0.756SS**  trans-60.3106162.4-84.2-30.1000109.6Y790Y790-N792 PolarHBondContact O-N 3.48Å; Y790-N792 VanDerWaalsContact O-N 3.15Å
793H29.7Very low28.1Very low164 Ų164148.9 Ų148.976%0.75975%0.749SS**  trans-132.597165.7-95.347.4000109.8N791 H795N791-H793 PolarHBondContact O-N 3.44Å; N791-H793 VanDerWaalsContact O-N 3.08Å; H793-H795 PolarHBondContact O-N 3.31Å
794N25.8Very low27.9Very low160 Ų160143.5 Ų143.586%0.85674%0.738SS**  trans-71.5103.2170.9-75.5-41.3000109.6
795H31.4Very low27.9Very low167 Ų167146.3 Ų146.377%0.77374%0.738SS**  trans-142.691166-101.7-75.5000113.6H793H793-H795 PolarHBondContact O-N 3.31Å
796H26.4Very low28.1Very low167 Ų167147.9 Ų147.977%0.77375%0.746SS**  71.3155.1123.8-125.8-111000121.3
797L30.3Very low27.9Very low137 Ų137148.9 Ų148.972%0.71775%0.747SS**  trans69.393.1165.1-73.4146000118.6
798N25.2Very low27.9Very low158 Ų158150.9 Ų150.985%0.84575%0.749SS**  -36.3134.1127.8-87.5-34.5000111.2
799L28.1Very low28Very low153 Ų153152.8 Ų152.880%0.80175%0.752SS**  trans-156.3131.5137.4-115.9160.9000112.1Q801L799-Q801 PolarHBondContact O-N 2.82Å
800H26.6Very low28Very low92 Ų92155.7 Ų155.743%0.42676%0.757SS.*  trans-61.7122.7173.4-115.2-93.2000111.7Y739 N740Y739-H800 AromaticContact CD1-CE1 3.54Å; Y739-H800 AromaticContact CE1-CE1 3.27Å; Y739-H800 WeakPolarHBondContact CE1-CE1 3.34Å; Y739-H800 AromaticContact CE1-ND1 3.3Å; Y739-H800 VanDerWaalsContact CE1-ND1 3.3Å; Y739-H800 WeakPolarHBondContact CE1-ND1 3.21Å; Y739-H800 AromaticContact CZ-CE1 3.95Å; N740-H800 PolarHBondContact ND2-CD2 2.93Å; N740-H800 VanDerWaalsContact ND2-CD2 3.31Å; N740-H800 PolarHBondContact ND2-NE2 3.49Å; N740-H800 PolarHBondContact OD1-CD2 3.33Å; N740-H800 PolarHBondContact OD1-NE2 3.48Å
801Q27.9Very low28Very low177 Ų177148.5 Ų148.583%0.82775%0.746SS**  trans-172.6158.2145.6-104.414929.400111.8L799L799-Q801 PolarHBondContact O-N 2.82Å
802L29.8Very low28Very low152 Ų152150 Ų15080%0.79675%0.748SS**  trans6541.5166.5-66.4160.4000117.8
803S24.2Very low27.9Very low88 Ų88148.1 Ų148.162%0.61575%0.746SS**SBendtrans-99.576.8137.866.10000109.3
804N25.2Very low27.8Very low123 Ų123150 Ų15066%0.65875%0.748SS**  trans173.9108.9159.9-94-13.4000110.6Y738Y738-N804 PolarHBondContact OH-ND2 2.98Å
805E29.2Very low27.8Very low175 Ų175148.8 Ų148.882%0.81874%0.741SS**  trans-150.8141.5146.8-133.3170.5-158.300109.6
806L31.7Very low27.5Very low160 Ų160147.7 Ų147.784%0.83874%0.741SS**  trans60.557.3171.7-52.7-177.2000118.1
807H25.8Very low27.7Very low173 Ų173147 Ų14780%0.80174%0.742SS**  trans-71.3152.4138.8-138106.3000108.9
808Y27.4Very low27.4Very low202 Ų202150 Ų15079%0.79275%0.745SS**  trans68.8134.9-173.5-58.5-93.6000114.3
809K32Very low27.5Very low174 Ų174148.1 Ų148.176%0.75774%0.735SS**  cis-147.1159.621.6-72.3-175.4178.3179.10111.5
810H29.6Very low27.7Very low168 Ų168147.3 Ų147.378%0.77873%0.731SS**  trans41.8135.6140.1-60.746000118.7
811G25.5Very low27.7Very low56 Ų56149.2 Ų149.258%0.57774%0.744SS**  cis117.114125.200000109.4
812H30.2Very low28Very low166 Ų166147.9 Ų147.977%0.76974%0.741SS**  trans69.8133.9-168.3-37-70.2000112.5
813S24.2Very low27.8Very low99 Ų99146.1 Ų146.169%0.69273%0.732SS**  cis80.8152.524.9-157.30000115.2
814Y28.5Very low28.4Very low204 Ų204150.9 Ų150.980%0.874%0.744SS**  trans74.6114.5-159.7-52-72000113.5
815N24.8Very low28.5Very low133 Ų133153 Ų15371%0.71175%0.75SS**  cis81.6125.646.6-79.3-9.4000115.7
816N26Very low28.5Very low144 Ų144150.2 Ų150.277%0.7775%0.749SS**  trans73.2167.4154.6-57.8-17.1000119
817I28.8Very low28.2Very low153 Ų153147.2 Ų147.279%0.78574%0.741SS**  trans73.285169-47.5-176.6000112.5
818Y24.6Very low28.4Very low200 Ų200143.7 Ų143.778%0.78474%0.736SS**  95.6144.873.7-103.2-120.5000112.5
819D26.7Very low28.5Very low118 Ų118144.2 Ų144.263%0.63174%0.738SS**  trans29.8122.3152.4-54.2-4.9000119.8
820N32.5Very low28.3Very low136 Ų136142 Ų14273%0.72773%0.734SS**  -169.2143.494.5-91.3-79000106.6
821L27.2Very low28.2Very low132 Ų132141.8 Ų141.869%0.69173%0.734SS**  51.813471.7-63.8163.7000111
822I33.5Very low28.3Very low150 Ų150143.7 Ų143.777%0.76974%0.739SS**  cis-135.1157.530.9-67.7169.5000111.5
823D27.4Very low28.2Very low114 Ų114142.1 Ų142.161%0.6173%0.734SS**  trans-52163.9172.8-41-89.8000115.2
824H36.4Very low28.4Very low188 Ų188145 Ų14587%0.8774%0.742SS**  -154.9116.5123.8-117.1-65.6000112.7
825E26.6Very low28.3Very low167 Ų167138.2 Ų138.278%0.7873%0.734SS**  trans-73.2159.4168-56.4172.8106.100111.8
826C29Very low28.5Very low118 Ų118142.2 Ų142.280%0.79774%0.741SS**  trans146.3100.3143.7-82.30000109.6
827S26.1Very low28.4Very low97 Ų97145.3 Ų145.368%0.67874%0.742SS**  87.5126.859.372.90000114.2
828S29Very low28.2Very low99 Ų99142.7 Ų142.769%0.69274%0.737SS**  trans71.6154.9161.185.30000117
829Y29.5Very low28.2Very low213 Ų213141.3 Ų141.384%0.83574%0.741SS**  cis-132.9170.54.3-109.6-74.2000112
830N27.7Very low28.1Very low126 Ų126139.9 Ų139.967%0.67474%0.737SS**  trans-63179.3163-45.4-9.7000111
831E28.3Very low27.6Very low164 Ų164139.9 Ų139.977%0.76674%0.744SS**  cis-154-173.110.2-147.4143.4143.500111.5
832S27.5Very low27.5Very low97 Ų97139.2 Ų139.268%0.67874%0.741SS**  trans-53.6147.3-177.655.40000117.4
833I28.3Very low27.2Very low132 Ų132137.6 Ų137.668%0.67773%0.734SS**  trans-168.8146.4131.9-100.1152.7000110.5
834D28.3Very low27.1Very low161 Ų161143 Ų14386%0.86175%0.752SS**  trans48.3144.1165.3-72.6-20.1000123.7
835G27.3Very low26.7Very low61 Ų61144 Ų14463%0.62975%0.748SS**  trans135.4125.7139.800000118.7
836Y27.3Very low26.8Very low216 Ų216145.2 Ų145.285%0.84775%0.751SS**  trans42.4113143.9-59.8-86.1000119.9
837R25.6Very low26.7Very low210 Ų210149.4 Ų149.479%0.79275%0.752SS**  53.3103.588-78.2179.7162.4-98.35.7115.6
838S23.5Very low26.7Very low98 Ų98151.4 Ų151.469%0.68576%0.755SS**  trans34.2118.5131.163.40000120
839I24.7Very low26.7Very low170 Ų170155.6 Ų155.687%0.87276%0.757SS**  trans-143.9142.2147.5-97.3131.5000111.1
840T23.8Very low26.7Very low88 Ų88151.8 Ų151.854%0.5475%0.746SS.*  trans-72.5152.6177.7-40.70000111.8N842T840-N842 HydrophobicContact CG2-CB 4.36Å; T840-N842 PolarHBondContact O-N 3.31Å
841P23.1Very low26.7Very low136 Ų136153.5 Ų153.588%0.88375%0.75SS**  trans-6782.7153.730.6-34.6000109.2
842N25.2Very low26.6Very low118 Ų118149.6 Ų149.663%0.63174%0.741SS**  trans-110.8134.1-178.7-119.6-7.7000110.4T840T840-N842 HydrophobicContact CG2-CB 4.36Å; T840-N842 PolarHBondContact O-N 3.31Å
843L27.5Very low26.6Very low116 Ų116154.9 Ų154.961%0.60775%0.748SS**  trans61.9105.2173.9-8162.8000116.3R845L843-R845 VanDerWaalsContact C-N 3.26Å; L843-R845 HydrophobicContact CB-CB 4.24Å; L843-R845 HydrophobicContact CD2-CB 4.33Å; L843-R845 HydrophobicContact CD2-CG 4.04Å; L843-R845 PolarHBondContact O-N 2.78Å
844F25.2Very low26.8Very low229 Ų229155.1 Ų155.1100%1.00475%0.75SS**  -56100.4124.7-99.1-93000107.8
845R26.7Very low26.7Very low207 Ų207154 Ų15478%0.78175%0.745SS**  trans-101.8135.2164.4-143.3176.4-150.2-132.85.4107.1L843L843-R845 VanDerWaalsContact C-N 3.26Å; L843-R845 HydrophobicContact CB-CB 4.24Å; L843-R845 HydrophobicContact CD2-CB 4.33Å; L843-R845 HydrophobicContact CD2-CG 4.04Å; L843-R845 PolarHBondContact O-N 2.78Å
846K28.6Very low26.7Very low193 Ų193157.6 Ų157.684%0.83975%0.75SS**  trans-63.4150.6161.5-76.1-174.1173.7-175.70108.8
847Y27.2Very low27Very low206 Ų206153.8 Ų153.881%0.80874%0.744SS**  trans-27145.4158-60.8-96.6000112.8
848D27.4Very low27.1Very low139 Ų139149.9 Ų149.974%0.74374%0.743SS**  cis-139.5160.947.6-73.4-61000116.7
849Y27.9Very low27.4Very low188 Ų188154.1 Ų154.174%0.73775%0.754SS**  trans18.4143.7140.5-75.3-98.2000120.3
850Q29.2Very low27.5Very low132 Ų132151.3 Ų151.362%0.61774%0.741SS**  cis-162.9145.619.3-159153.1-7.200112.7
851Q28.3Very low27.8Very low162 Ų162154.8 Ų154.876%0.75776%0.757SS**  trans43.3156.3148.1-69.3167.27.200123.4
852S26.3Very low28Very low83 Ų83155.1 Ų155.158%0.5875%0.751SS**  cis-179.8154.5-36.354.30000112.5
853Y27.2Very low28.1Very low207 Ų207155.5 Ų155.581%0.81275%0.752SS**  trans83.4140.7148.4-76.8-59.5000124.7
854N32.5Very low28.1Very low137 Ų137153.6 Ų153.673%0.73375%0.748SS**  trans87.783.4145.7-65.9-3.5000123.5
855N26.6Very low28.2Very low138 Ų138145.6 Ų145.674%0.73872%0.715SS**  18.6132.5108.3-83.729.7000120.4
856N27.8Very low28.2Very low137 Ų137141.3 Ų141.373%0.73371%0.707SS**  167.7162.5100.6-97.7-18.7000115.8
857N32.6Very low28.2Very low136 Ų136137.2 Ų137.273%0.72769%0.694SS**  trans78.689.3154.6-62.7-4.3000122.6
858T27.7Very low28.1Very low128 Ų128134.3 Ų134.379%0.78569%0.692SS**  8135.9123.8550000121.9
859M29.8Very low28Very low186 Ų186134.4 Ų134.492%0.91669%0.693SS**  -165.2155.7124.4-110.1-61.1-179.700111.6
860N25.9Very low27.9Very low112 Ų112135 Ų13560%0.59970%0.695SS**  trans-89154.8176.9-89.4-26.4000111.9
861D31.4Very low27.8Very low161 Ų161135.6 Ų135.686%0.86170%0.703SS**  -174.5157.5108.6-95.8-21.2000113.3
862N26Very low27.6Very low143 Ų143132.1 Ų132.177%0.76570%0.696SS**  trans-102.7137.6-175.1-70.1-88.6000112.3
863I29.3Very low27.6Very low126 Ų126138.4 Ų138.465%0.64671%0.708SS**  trans-178157.4142.6-94.5149.5000108.1I651 Q652I651-I863 HydrophobicContact CG1-CG2 4.33Å; I651-I863 HydrophobicContact CG2-CG2 4.15Å; Q652-I863 HydrophobicContact CB-CG2 4.18Å
864S26.3Very low27.5Very low75 Ų75134.3 Ų134.352%0.52470%0.701SS.*  trans-154.3-127.8-172.533.50000114.4I651 Q652I651-S864 WeakPolarHBondContact CA-O 3.26Å; I651-S864 PolarHBondContact N-O 2.86Å; Q652-S864 WeakPolarHBondContact CB-O 3.48Å; Q652-S864 VanDerWaalsContact CG-C 3.43Å; Q652-S864 WeakPolarHBondContact CG-O 3.25Å; Q652-S864 PolarHBondContact NE2-OG 3.2Å
865I26.8Very low27.2Very low61 Ų61138.9 Ų138.931%0.31371%0.71SS.*  trans80.1121.4-167.8-98.8-164.2000116.7N650 I651 Q652N650-I865 PolarHBondContact OD1-O 2.95Å; I651-I865 WeakPolarHBondContact O-CG2 3.44Å; Q652-I865 HydrophobicContact CB-CB 4.03Å; Q652-I865 HydrophobicContact CB-CG1 4.31Å; Q652-I865 HydrophobicContact CG-CB 3.61Å; Q652-I865 HydrophobicContact CG-CD1 4.33Å; Q652-I865 HydrophobicContact CG-CG1 3.6Å
866I27.4Very low27.1Very low118 Ų118142 Ų14261%0.60571%0.711SS**  trans22.8114.3134.3-43.8163.3000116.9
867N28.1Very low27Very low107 Ų107141.7 Ų141.757%0.57272%0.718SS**  -140.8168.3114.8-95.5-20.5000109.3
868D24.8Very low26.6Very low145 Ų145139.7 Ų139.778%0.77572%0.715SS**  trans-80.6-172.2-177.2-69.7-72.4000113.2
869D26.3Very low26.5Very low141 Ų141138.3 Ų138.375%0.75471%0.71SS**  trans80.2137.4166.4-73-33.3000121.4
870Y24.8Very low26.3Very low199 Ų199134.2 Ų134.278%0.7870%0.7SS**  trans4.9127.3151.3-63.4-99000117.6
871N27.6Very low26.3Very low146 Ų146135.5 Ų135.578%0.78171%0.707SS**  -165.4165.677.9-101-69.4000116.2
872S25.3Very low26.2Very low88 Ų88133.4 Ų133.462%0.61570%0.696SS**  trans-73.9141.2165.5179.40000111.4D874S872-D874 PolarHBondContact OG-N 2.9Å
873Y25.5Very low26.2Very low215 Ų215133.3 Ų133.384%0.84369%0.694SS**  trans-104.380160.5-94.6-80.5000111Y875Y873-Y875 PolarHBondContact O-N 3.06Å
874D25.7Very low26.1Very low122 Ų122132.3 Ų132.365%0.65269%0.693SS**  trans-65.1116.3157.2-96.1-37.4000109.1S872 R876S872-D874 PolarHBondContact OG-N 2.9Å; D874-R876 HydrophobicContact CB-CG 4.03Å; D874-R876 PolarHBondContact O-N 3.02Å
875Y26.4Very low26.1Very low233 Ų233135 Ų13591%0.91470%0.702SS**  trans-75.381.7163.2-112.8-79.4000109.8Y873 C877Y873-Y875 PolarHBondContact O-N 3.06Å; Y875-C877 PolarHBondContact O-N 3.02Å
876R23.7Very low26.1Very low202 Ų202139.7 Ų139.776%0.76272%0.723SS**  trans-70.5106.9178.4-66.4-175.5167.9-165.7-0.2112.4D874 S878D874-R876 HydrophobicContact CB-CG 4.03Å; D874-R876 PolarHBondContact O-N 3.02Å; R876-S878 VanDerWaalsContact C-OG 3.25Å; R876-S878 WeakPolarHBondContact CB-OG 3.47Å; R876-S878 PolarHBondContact O-OG 3.49Å
877C26.2Very low25.9Very low131 Ų131141.4 Ų141.489%0.88573%0.731SS**  trans-102.9104.5138.1-74.20000106.8Y875Y875-C877 PolarHBondContact O-N 3.02Å
878S23.3Very low25.7Very low94 Ų94145.4 Ų145.466%0.65774%0.738SS**  cis79.630.335.4-46.10000116.1R876R876-S878 VanDerWaalsContact C-OG 3.25Å; R876-S878 WeakPolarHBondContact CB-OG 3.47Å; R876-S878 PolarHBondContact O-OG 3.49Å
879S26.3Very low25.7Very low99 Ų99144.2 Ų144.269%0.69274%0.736SS**  trans-155.7119.7140.356.80000107.4
880S24.4Very low25.8Very low101 Ų101147.9 Ų147.971%0.70674%0.74SS**  62.8128.361.2-550000111.6
881N27.2Very low25.8Very low139 Ų139144.1 Ų144.174%0.74374%0.737SS**  trans71.1139.2175.5-56.140.1000113.6
882D28.3Very low25.7Very low117 Ų117146.5 Ų146.563%0.62674%0.741SS**  cis-166.8173.2-9.2-117.5-33.1000111.6
883I26.4Very low25.7Very low140 Ų140146.6 Ų146.672%0.71874%0.738SS**  trans36.9133.7136.8-64.5163.6000119.3
884V27Very low25.7Very low106 Ų106142.5 Ų142.564%0.64273%0.731SS**  cis-171.8-173.8-1284.70000108.5
885N25.8Very low25.8Very low131 Ų131144.8 Ų144.870%0.70174%0.737SS**  trans-47.6142.4167-39.2-80.2000113.3
886Q27.3Very low26Very low160 Ų160139.9 Ų139.975%0.74873%0.731SS**  -161.1118.3121.5-113.2155.9101.600116.7R888Q886-R888 PolarHBondContact O-N 3.39Å
887I24Very low26.4Very low153 Ų153134.2 Ų134.279%0.78573%0.728SS**  trans-38.4125.9147.3-58.7151.2000111.1
888R24.4Very low26.3Very low191 Ų191133.7 Ų133.772%0.72172%0.716SS**  trans-154.1102.2152.6-165.7163.6-74.8-140.60.2113.4Q886Q886-R888 PolarHBondContact O-N 3.39Å
889T23.6Very low26.5Very low120 Ų120137.5 Ų137.574%0.73672%0.721SS**  trans-75135.6163.946.40000111.2
890W28.3Very low26.5Very low219 Ų219139.8 Ų139.883%0.8372%0.72SS**  trans-136.9160.3153.4-80.589.7000109.8
891T24.5Very low26.6Very low119 Ų119138.3 Ų138.373%0.7371%0.709SS**  trans-136.9155.4-160.6530000112.3
892K25.7Very low26.5Very low196 Ų196138.8 Ų138.885%0.85271%0.711SS**  trans69.4151.7169.4-106.1-164.9171.8-166.50114
893T25.4Very low26.5Very low91 Ų91138.7 Ų138.756%0.55872%0.72SS**  cis-146.2159.24.7-26.40000108.9
894D25.9Very low26.3Very low128 Ų128142.5 Ų142.568%0.68473%0.727SS**  trans44.2128.2157.6-49.5-32.8000119.9
895H27.9Very low26.3Very low170 Ų170144.7 Ų144.779%0.78773%0.733SS**  cis-150149.439.3-91.2-79.3000114.5
896V30.5Very low26.3Very low130 Ų130142.9 Ų142.979%0.78874%0.737SS**  trans54.286.9147.3-174.80000116.5
897A31.3Very low26.3Very low84 Ų84142.6 Ų142.669%0.69474%0.74SS**  88.7101.692.100000113
898N25.9Very low26.5Very low120 Ų120144.6 Ų144.664%0.64274%0.743SS**  cis67.4126.428.7-134.12.3000110.9
899F26.2Very low26.6Very low173 Ų173145.9 Ų145.976%0.75975%0.748SS**  cis-144.8147.133.8-78.9-94000111
900H26.8Very low26.8Very low147 Ų147147.7 Ų147.768%0.68175%0.746SS**  70.5128.371.5-157.3-74000115.8
901P26.5Very low26.7Very low71 Ų71147.5 Ų147.546%0.46175%0.746SS.*  trans-80.6-168.1177.836-39.3000114.1M1277P901-M1277 HydrophobicContact CG-CE 3.82Å
902D26Very low26.8Very low149 Ų149151.3 Ų151.380%0.79775%0.753SS**  trans79.171.1173.7-68.8-14.7000118.9
903S26.8Very low26.8Very low115 Ų115147.2 Ų147.280%0.80475%0.749SS**  trans-141.8118.8131.559.30000109.7
904Y23.8Very low26.7Very low219 Ų219148.9 Ų148.986%0.85976%0.759SS**  80.4141.771-102.5-86.5000115.5
905I26.7Very low26.8Very low152 Ų152152.3 Ų152.378%0.77976%0.764SS**  trans74.5102.9170-57.1161.1000115.5
906A25.7Very low26.6Very low94 Ų94151 Ų15178%0.77776%0.763SS**  trans-73.8150.1164.100000111.5
907N27.2Very low26.7Very low154 Ų154152.3 Ų152.382%0.82476%0.76SS**  trans-142.6126.6152.7-129.6-31.8000112.6
908K28Very low26.5Very low194 Ų194152.8 Ų152.884%0.84376%0.758SS**  trans-81.3131.7173-66.5175.9178.2177.80109
909R27Very low26.4Very low219 Ų219157 Ų15783%0.82677%0.767SS**  trans-152.2122.4150.4-107.7157.4-155.9-157.33.6111.1Y911R909-Y911 HydrophobicContact CB-CD2 4.5Å; R909-Y911 PolarHBondContact O-N 3.49Å
910K26.3Very low26.7Very low158 Ų158157.7 Ų157.769%0.68777%0.772SS**  trans-64.7118.8160.7-72.6-177.8176.4-177.80106.2E566E566-K910 VanDerWaalsContact CD-NZ 3.34Å; E566-K910 IonicContact OE1-NZ 2.69Å; E566-K910 PolarHBondContact OE1-NZ 2.86Å; E566-K910 IonicContact OE2-NZ 3.24Å; E566-K910 PolarHBondContact OE2-NZ 3.08Å
911Y27.7Very low26.7Very low215 Ų215160.6 Ų160.684%0.84378%0.777SS**  trans-130.8151.2152.8-96.2-78.5000109.8R909R909-Y911 HydrophobicContact CB-CD2 4.5Å; R909-Y911 PolarHBondContact O-N 3.49Å
912K25.6Very low26.9Very low199 Ų199165.1 Ų165.187%0.86580%0.796SS**  trans-147.9100.4-164.8177.7-178.3-178.7173.40107.7
913S25.9Very low26.9Very low110 Ų110164 Ų16477%0.76979%0.79SS**  trans-128124.3172.2-156.50000109.8
914T24.2Very low27.1Very low125 Ų125165.4 Ų165.477%0.76779%0.789SS**  trans-67.2138.3154.738.90000109.1
915Y26.7Very low27.4Very low200 Ų200161.3 Ų161.378%0.78478%0.781SS**  trans-143.2151.7139.4-119.7-86.5000108.8
916N24.9Very low27.5Very low144 Ų144160.8 Ų160.877%0.7778%0.777SS**  trans-155.485.1-165.6-178.794.6000110.1
917E30.9Very low27.5Very low157 Ų157162 Ų16273%0.73477%0.771SS**  trans-136.3127.9169.6-90137.8-166.100106.6
918S26.9Very low27.6Very low94 Ų94163.1 Ų163.166%0.65777%0.768SS**  cis95.4106.841.4-72.20000111.5
919Y25.3Very low27.7Very low208 Ų208161.5 Ų161.582%0.81676%0.764SS**  trans40.8131.8153.1-68-88.7000118.7
920H32.3Very low27.8Very low187 Ų187159.2 Ų159.287%0.86676%0.762SS**  -153.4166.182.9-109.5-92.6000114.4
921R26.6Very low27.8Very low209 Ų209158.3 Ų158.379%0.78977%0.765SS**  trans-74.9154.1177.4-62.6172170.3174.9-6.2111.9
922L30.9Very low27.8Very low165 Ų165153.6 Ų153.686%0.86476%0.764SS**  -134.2117.1128.9-97.7166.4000108.5
923N26.1Very low28Very low125 Ų125150.1 Ų150.167%0.66876%0.759SS**  trans-77.4151.1146.7-69.2-0.4000105.8
924D31Very low28.1Very low145 Ų145151.9 Ų151.978%0.77576%0.755SS**  -167.2151.5125.6-106.1-24.5000115.5
925L28.8Very low28.2Very low133 Ų133152.8 Ų152.870%0.69675%0.746SS**  trans62.5119.7155.5-90.365.6000123.3
926M28.9Very low28.4Very low142 Ų142148 Ų14870%0.773%0.733SS**  trans80.2108.2137.6-65.7-151.1-87.300122.5
927N26.7Very low28.8Very low120 Ų120147.6 Ų147.664%0.64273%0.73SS**  44.8131.6110-41.9-17.7000117.9
928F29.2Very low28.8Very low177 Ų177147.3 Ų147.378%0.77673%0.734SS**  -164.8173.352.4-107.3-67.3000114.5
929Q29.9Very low29Very low160 Ų160146.7 Ų146.775%0.74874%0.742SS**  trans61.8104.3160.4-113.470.74.300120
930H28.3Very low29.4Very low170 Ų170142.9 Ų142.979%0.78774%0.741SS**  trans-77.8162.4150.2-69.5-109.9000110.5
931N27.7Very low29.4Very low139 Ų139139.7 Ų139.774%0.74374%0.735SS**  -169.8135.5109.1-96.1-11.9000114.4
932S27.7Very low29.5Very low117 Ų117135.2 Ų135.282%0.81873%0.731SS**  trans-147130.4155.7-63.60000105.3
933T29.1Very low29.5Very low125 Ų125134.2 Ų134.277%0.76773%0.725SS**  trans-81.1150.9-160.542.20000114.4
934E27.4Very low29.8Very low147 Ų147133.6 Ų133.669%0.68773%0.726SS**  trans-171.9172.6130.3-106.3-177.7-17900116.8Y751 N752Y751-E934 VanDerWaalsContact CA-O 3.3Å; Y751-E934 WeakPolarHBondContact CA-O 3.4Å; Y751-E934 WeakPolarHBondContact CD2-O 3.32Å; N752-E934 PolarHBondContact N-O 3.13Å
935Y27.6Very low29.8Very low145 Ų145132.3 Ų132.357%0.56972%0.723SS**BIsolated β-bridgetrans-67.7164-153.9-79.3-86.7000121N750 Y751 N752 G753N750-Y935 CarbonylContact O-C 3.52Å; N750-Y935 VanDerWaalsContact O-CA 3.27Å; N750-Y935 WeakPolarHBondContact O-CA 3.39Å; N750-Y935 WeakPolarHBondContact O-CD1 3.41Å; Y751-Y935 VanDerWaalsContact C-C 3.42Å; N752-Y935 CarbonylContact C-O 3.58Å; N752-Y935 PolarHBondContact N-O 3.38Å; G753-Y935 VanDerWaalsContact CA-O 3.26Å; G753-Y935 WeakPolarHBondContact CA-O 3.43Å; G753-Y935 PolarHBondContact N-O 2.88Å
936N31Very low30Very low99 Ų99131.6 Ų131.653%0.52973%0.725SS.*  trans124.7119.7148.6-83.9-20000119.8N750 Y751 N752N750-N936 PolarHBondContact O-N 3.14Å; Y751-N936 CarbonylContact C-O 3.58Å; Y751-N936 CarbonylContact O-C 3.18Å; Y751-N936 PolarHBondContact O-N 2.57Å; N752-N936 WeakPolarHBondContact CB-O 3.23Å
937L32.4Very low30.2Very low135 Ų135129.9 Ų129.971%0.70773%0.726SS**  trans77.6109.7161.3-53.2155.2000115.9
938N30.2Very low30.6Very low152 Ų152129.4 Ų129.481%0.81373%0.728SS**  66.389.471.1-74.7-5.6000115.3
939G32.6Very low30.7Very low80 Ų80127 Ų12783%0.82573%0.728SS**  trans-96.5142.9157.300000111.2
940T32.3Very low30.9Very low128 Ų128124.8 Ų124.879%0.78573%0.725SS**  trans-86.5-179.9-179.247.90000113.2
941T32.3Very low31.2Very low121 Ų121121.7 Ų121.774%0.74272%0.719SS**  trans69.9121.3164.727.20000115.5
942T29.8Very low31.4Very low115 Ų115121.5 Ų121.571%0.70672%0.718SS**  cis-164.8169.82.6-14.90000114
943I31.7Very low31.7Very low143 Ų143122.1 Ų122.173%0.73371%0.712SS**  trans92.1113.4148.6-74.5156.8000119.6
944T30.7Very low31.9Very low113 Ų113122.7 Ų122.769%0.69371%0.71SS**  trans70.6103.7154.443.80000123.8
945T32.4Very low32.1Very low118 Ų118123.1 Ų123.172%0.72472%0.716SS**  48.2139.6114.660.20000121
946T32.5Very low32.2Very low118 Ų118120.8 Ų120.872%0.72472%0.721SS**  cis-167.9153.67.76.20000112
947S33.3Very low32Very low105 Ų105120.4 Ų120.473%0.73473%0.725SS**  trans66.7151.3148.3-58.10000120
948T34.5Very low31.7Very low111 Ų111121.7 Ų121.768%0.68173%0.732SS**  cis-168.5138.3-19.426.50000109.7
949T32.3Very low31.6Very low126 Ų126119.6 Ų119.677%0.77373%0.729SS**  trans60.6159.2151.156.10000119
950T34.2Very low31.4Very low113 Ų113125 Ų12569%0.69373%0.727SS**  cis-160.9144.413.4-11.80000113
951T34.1Very low31.1Very low105 Ų105125.3 Ų125.364%0.64473%0.73SS**  trans48.9130.3144.6510000125.8
952N31.2Very low30.8Very low135 Ų135125.9 Ų125.972%0.72273%0.728SS**  trans65.8141.4132.4-52.73.3000119.6
953N34.9Very low30.6Very low130 Ų130126.8 Ų126.870%0.69573%0.733SS**  cis-154.2163.938.1-87.5-65.4000114.1
954N32.4Very low30.2Very low138 Ų138125.4 Ų125.474%0.73874%0.736SS**  trans14.4142140.6-44.5-25.3000119.4
955I32Very low30.1Very low155 Ų155127 Ų12780%0.79574%0.737SS**  -163.6135.970.8-89.8174.3000113.3
956S28.5Very low29.8Very low97 Ų97129.3 Ų129.368%0.67875%0.746SS**  trans41.3159.3151.479.90000125.9
957S27.5Very low29.6Very low90 Ų90129.9 Ų129.963%0.62974%0.743SS**  trans67.1104.5159.334.70000117.1
958L26.9Very low29.2Very low162 Ų162130.9 Ų130.985%0.84874%0.738SS**  63.9131.768.6-75.176.2000112.3
959S28.3Very low28.9Very low108 Ų108135 Ų13576%0.75575%0.75SS**  cis-141.4151.721.6-57.50000114
960Y26.7Very low28.6Very low195 Ų195132.6 Ų132.677%0.76574%0.738SS**  trans-79.2166.3164.2-76.2-87.5000111.1I962Y960-I962 HydrophobicContact CD1-CB 4Å; Y960-I962 HydrophobicContact CD1-CD1 4.29Å; Y960-I962 HydrophobicContact CD1-CG1 4.07Å; Y960-I962 HydrophobicContact CE1-CB 4.4Å; Y960-I962 HydrophobicContact CE1-CD1 4.23Å; Y960-I962 HydrophobicContact CE1-CG1 4.47Å
961P27Very low28.2Very low133 Ų133133.8 Ų133.886%0.86474%0.74SS**  -130.2112.184.134.6-23.3000113.8
962I25.8Very low27.8Very low134 Ų134137.2 Ų137.269%0.68775%0.749SS**  trans-120.6108.8156.6-63.2175.8000106.5Y960Y960-I962 HydrophobicContact CD1-CB 4Å; Y960-I962 HydrophobicContact CD1-CD1 4.29Å; Y960-I962 HydrophobicContact CD1-CG1 4.07Å; Y960-I962 HydrophobicContact CE1-CB 4.4Å; Y960-I962 HydrophobicContact CE1-CD1 4.23Å; Y960-I962 HydrophobicContact CE1-CG1 4.47Å
963T26.1Very low27.5Very low134 Ų134135.4 Ų135.482%0.82275%0.746SS**  trans-169.9113.4144.56.50000111.5
964S22.6Very low27.2Very low113 Ų113136.7 Ų136.779%0.7975%0.753SS**  trans-143.4140.8152.4620000105.7
965M28.8Very low26.8Very low146 Ų146134.4 Ų134.472%0.71974%0.744SS**  trans72.3124.9-141.9-48.8-176-164.500111.4I967M965-I967 HydrophobicContact CB-CG1 4.43Å; M965-I967 HydrophobicContact SD-CD1 4.2Å
966N26.5Very low26.6Very low168 Ų168133.2 Ų133.290%0.89874%0.744SS**  cis70.855.611.4-152.48.7000115.5
967I26.7Very low26.6Very low129 Ų129133.3 Ų133.366%0.66274%0.742SS**  trans-129.3114.7163-74.9178.4000110.1M965M965-I967 HydrophobicContact CB-CG1 4.43Å; M965-I967 HydrophobicContact SD-CD1 4.2Å
968I26.3Very low26.5Very low126 Ų126135.9 Ų135.965%0.64675%0.748SS**  trans33.3104.5137.1-46.3172.8000116.9
969H28.6Very low26.4Very low199 Ų199132.8 Ų132.892%0.92174%0.739SS**  -118.689.8120.8-111.1-81.5000109.6
970S25Very low26.2Very low74 Ų74134.6 Ų134.652%0.51774%0.739SS.*  trans-64.4127.7162.450.80000109.3
971N26.1Very low26.3Very low139 Ų139134.2 Ų134.274%0.74374%0.741SS**  164.2163.2123.6-82.6-30.8000112.4
972Q26.4Very low26.3Very low176 Ų176133.7 Ų133.782%0.82273%0.73SS**  trans62.587.6158.4-72.3162.40.500117.6L974Q972-L974 PolarHBondContact O-N 3.08Å
973S24.5Very low26.5Very low97 Ų97134 Ų13468%0.67873%0.728SS**  11.9100.6102173.20000116.1
974L27.7Very low26.5Very low158 Ų158135 Ų13583%0.82772%0.723SS**  trans-149.4102.3139.4-135.169.1000106.3Q972Q972-L974 PolarHBondContact O-N 3.08Å
975T25.3Very low26.7Very low89 Ų89135.4 Ų135.455%0.54672%0.717SS.*  55.571.56576.90000114.4
976T27.8Very low26.7Very low130 Ų130133.6 Ų133.680%0.79871%0.71SS**  trans58.3-161.4147.470.10000113.9
977P28.6Very low26.9Very low100 Ų100133.9 Ų133.965%0.64970%0.703SS**  cis-116.6-143.8-31.423.8-0.7000109.9
978I25.8Very low27Very low144 Ų144134.8 Ų134.874%0.73870%0.704SS**  trans76.683.8162.3-50.5166.7000113.4
979S22.9Very low27.2Very low97 Ų97134.8 Ų134.868%0.67871%0.705SS**  77.2135.960.3-55.40000114.9
980I25.8Very low27.1Very low146 Ų146131.5 Ų131.575%0.74969%0.694SS**  trans71.6100158.7-56147000115.6
981K27.4Very low27.2Very low187 Ų187134 Ų13481%0.81370%0.697SS**  169.6149.8111.4-85.2-160.4-173.51730110.8
982I27.9Very low27.3Very low121 Ų121134 Ų13462%0.62169%0.692SS**  cis-166.1159.9-30.5-127.4174.1000106.6
983H29.5Very low27.4Very low141 Ų141130.8 Ų130.865%0.65368%0.681SS**  trans64.9128.2172.6-76.5-35.8000115
984Q25.8Very low27.7Very low154 Ų154132 Ų13272%0.7268%0.679SS**  cis59.7115.846.3-53.6170.9-57.700112.7
985N27.5Very low27.7Very low122 Ų122129.4 Ų129.465%0.65267%0.666SS**  -175131110.9-89.4-2.7000108.6
986D28.2Very low28Very low108 Ų108132 Ų13258%0.57867%0.672SS**  44.1123.6126.6-39.6-25000117.4
987K32Very low27.9Very low174 Ų174129.7 Ų129.776%0.75766%0.661SS**  -155.8132.660.8-116.9104.4-167.8171.90113.7
988H28.1Very low28Very low148 Ų148132 Ų13269%0.68567%0.665SS**  56.4151.3118.5-94-111.8000121.3
989I29.6Very low28.2Very low127 Ų127128.6 Ų128.665%0.65165%0.654SS**  trans71105.2152.1-72.5160000109.3
990N26.3Very low28.4Very low129 Ų129129.9 Ų129.969%0.6965%0.653SS**  50.714875.9-52.52000109
991Q28Very low28.6Very low126 Ų126129.3 Ų129.359%0.58965%0.65SS**  cis177163.831.6-145.7157.7-72.800101.8
992H28.4Very low28.7Very low140 Ų140126 Ų12665%0.64865%0.649SS**  trans69132.5162-59.8-56.8000114.3
993D28.7Very low28.6Very low109 Ų109125.2 Ų125.258%0.58365%0.654SS**  cis-161.6-177.80.9-127.9-1.1000117
994L31Very low28.5Very low123 Ų123123.2 Ų123.264%0.64465%0.652SS**  4.7132.8123.4-79.766.1000114.2
995D27.9Very low28.5Very low103 Ų103122.5 Ų122.555%0.55165%0.653SS**  cis-168.2175.313.9-131.1-28.1000115.4
996H29.7Very low28.5Very low144 Ų144121.4 Ų121.467%0.66766%0.655SS**  trans60.1131.9143.6-68.80.5000116.2
997S26.7Very low28.4Very low80 Ų80121 Ų12156%0.55966%0.661SS**  54139.7611060000111.5
998M30.7Very low28.1Very low149 Ų149117 Ų11773%0.73466%0.655SS**  cis-115.7146.724.5-76.4-93.578.400110.1
999S29.6Very low28.1Very low73 Ų73117.8 Ų117.851%0.5166%0.663SS.*  41.1120.988.394.50000113.8
1000D28.1Very low28Very low124 Ų124115.8 Ų115.866%0.66366%0.661SS**  -174.1119.9102.7-92.5-3.1000110.1
1001I29.4Very low28Very low134 Ų134115 Ų11569%0.68766%0.657SS**  79.5102.496.7-69.8176000111.5
1002C29Very low28.2Very low117 Ų117116.7 Ų116.779%0.79166%0.664SS**  trans63-175.1155.7-54.80000113.9
1003S27.1Very low28.2Very low104 Ų104115.8 Ų115.873%0.72767%0.669SS**  cis-136.8161.5-8.8-149.80000113.6
1004T26.5Very low28.3Very low100 Ų100116 Ų11661%0.61367%0.673SS**  trans-44.6159.9159.458.90000114.6
1005N26.5Very low28.3Very low139 Ų139117.7 Ų117.774%0.74368%0.683SS**  trans83.8130.9149.7-55.6-28.9000120.2
1006S27Very low28.3Very low99 Ų99116 Ų11669%0.69269%0.69SS**  trans57.5120.6131.968.70000121.7
1007S25.6Very low28.3Very low98 Ų98116.3 Ų116.369%0.68570%0.695SS**  70.7138.8127.764.20000121.9
1008S26Very low28.3Very low91 Ų91118.1 Ų118.164%0.63670%0.699SS**  trans66.5121136.860.70000120.7
1009L27.5Very low28.2Very low165 Ų165121 Ų12186%0.86470%0.703SS**  trans65.8159.5149.7-84.370.7000114.8
1010S27.3Very low28.1Very low85 Ų85122 Ų12259%0.59471%0.709SS**  cis-152.5-172.5-19.441.20000105.7
1011D28.2Very low28.1Very low113 Ų113126 Ų12660%0.60472%0.717SS**  cis-175.8164.336.3-123.8-42.1000111.4
1012H30.6Very low28.2Very low160 Ų160124.6 Ų124.674%0.74172%0.716SS**  trans61.1140.6153.5-58.1-0.9000118.3
1013T29.8Very low28.2Very low122 Ų122125.5 Ų125.575%0.74872%0.718SS**  cis-160.4155.3-321.70000106
1014T30.4Very low28.4Very low112 Ų112127.9 Ų127.969%0.68772%0.723SS**  cis-157.2150.518.6-12.20000110
1015N31.4Very low28.3Very low159 Ų159128.3 Ų128.385%0.8573%0.73SS**  trans40.1124.9154.4-55-14.6000120.8
1016G28Very low28.4Very low67 Ų67129.9 Ų129.969%0.69174%0.737SS**  cis144.4158.8-6.200000113.5
1017I28.5Very low28.3Very low152 Ų152129.6 Ų129.678%0.77974%0.736SS**  trans64.6131.5155.9-58.6171.5000116.9
1018N26.8Very low28.3Very low118 Ų118132.2 Ų132.263%0.63174%0.741SS**  cis-164.7-173.8-15.4-98.1-7.6000105.3
1019Y29.4Very low28.3Very low210 Ų210132.4 Ų132.482%0.82474%0.743SS**  cis-142.1176.513.4-78.5-83.8000110.1
1020S26.4Very low28.2Very low92 Ų92131.8 Ų131.864%0.64374%0.739SS**  trans-161.3-179-174.147.90000113.8
1021Y27.8Very low28.2Very low210 Ų210134.1 Ų134.182%0.82475%0.745SS**  trans76.4165.3169.1-61.6-74.6000119
1022P33.1Very low28.2Very low104 Ų104137 Ų13768%0.67575%0.752SS**  cis-116.9170.4-13.315.39.5000112.1
1023T29Very low28Very low135 Ų135135.9 Ų135.983%0.82875%0.747SS**  -164.914168.943.60000114.2
1024N29.5Very low28Very low154 Ų154136.3 Ų136.382%0.82474%0.739SS**  trans-47.3155.7-173.8-55.3-13.1000119.2
1025S24.6Very low27.9Very low110 Ų110140.1 Ų140.177%0.76974%0.741SS**  trans-72.2165158.152.10000112.9
1026L28.5Very low27.9Very low171 Ų171139.9 Ų139.990%0.89573%0.732SS**  trans-163.2171.2141.3-110.7168000110.8
1027S25Very low27.9Very low94 Ų94142.8 Ų142.866%0.65773%0.728SS**  trans-125.7-167-16658.70000112.6
1028L27.3Very low28Very low152 Ų152141.1 Ų141.180%0.79672%0.72SS**  trans85.4111.9164.4-64.1159.9000119.7
1029S25.9Very low28.1Very low96 Ų96143.9 Ų143.967%0.67173%0.727SS**  57.1131.3123.478.40000122.7
1030L25.4Very low28.1Very low152 Ų152138.1 Ų138.180%0.79672%0.718SS**  trans50.9118.2135.2-102.172.7000120.6
1031N25.8Very low28.1Very low134 Ų134140.7 Ų140.772%0.71772%0.724SS**  trans80.5153131.1-105.8-50.6000120.7
1032K29.4Very low28.1Very low172 Ų172135.9 Ų135.975%0.74872%0.716SS**  trans69.982.5158.6-67.4162.6-174169.10118.9
1033E26.4Very low27.8Very low137 Ų137137.9 Ų137.964%0.6472%0.72SS**  27.2106.696.5-167.4-124160.200116.1
1034K30.1Very low27.8Very low131 Ų131137.1 Ų137.157%0.5772%0.715SS**  175.9125114.5-95.5173.3175.7740114.2
1035R28.3Very low27.7Very low193 Ų193134.9 Ų134.973%0.72871%0.707SS**  trans63.9135.3131-69.4176.1176.7-175.5-3121.3
1036K29.7Very low27.9Very low153 Ų153133.7 Ų133.767%0.66570%0.696SS**  trans74.8142.2137.9-72.8173160.5-102.10116.1
1037E29.5Very low28Very low129 Ų129131.9 Ų131.960%0.60369%0.687SS**  cis-160.9179.5-0.1-132.7151.1-171.700113.2
1038N29.7Very low28.2Very low116 Ų116132.8 Ų132.862%0.6268%0.684SS**  trans80.7104.7149.4-69.3-7.6000121.7
1039F29.5Very low28.4Very low177 Ų177132.6 Ų132.678%0.77668%0.679SS**  trans70.5131.6132.7-62.9-56.8000119.8
1040S28.6Very low28.7Very low89 Ų89134.7 Ų134.762%0.62268%0.683SS**  cis-150.5146.98.6-90.20000114
1041N27.7Very low28.9Very low145 Ų145132.2 Ų132.278%0.77568%0.678SS**  trans57.6122.1142.9-60.50.1000119.7
1042T26.6Very low29.2Very low109 Ų109130.4 Ų130.467%0.66968%0.676SS**  cis-148.1122.2-0.3-64.30000111
1043I27.4Very low29.1Very low146 Ų146132 Ų13275%0.74968%0.679SS**  trans-99.1126.6153.8-66.1172000107.1T1045I1043-T1045 HydrophobicContact CG2-CG2 4.48Å
1044T28.2Very low29.3Very low119 Ų119131 Ų13173%0.7369%0.687SS**  trans-152.7122.7153.242.50000110.2
1045T28.4Very low29.2Very low107 Ų107129.6 Ų129.666%0.65669%0.693SS**  cis-157.7133.8-21.7-6.90000109.8I1043I1043-T1045 HydrophobicContact CG2-CG2 4.48Å
1046T28.9Very low29.2Very low85 Ų85126.6 Ų126.652%0.52170%0.696SS.*  trans7.1137.3142.559.10000120.1
1047N29.7Very low29.1Very low134 Ų134124.1 Ų124.172%0.71770%0.697SS**  -170.4117102.5-86.2-25000108.8
1048N30.1Very low29.1Very low113 Ų113126.4 Ų126.460%0.60471%0.706SS**  76.1133.780.7-65.2-1.5000111.6
1049H31.6Very low29.2Very low148 Ų148129.8 Ų129.869%0.68572%0.715SS**  cis-145.8151.827.5-99.6-69000114.2
1050N30.7Very low29.1Very low140 Ų140129.3 Ų129.375%0.74972%0.715SS**  trans59.4136.3145.7-52.4-6.1000119.8
1051S30.8Very low29.2Very low100 Ų100135.5 Ų135.570%0.69972%0.724SS**  cis-169144.2-8.3480000111.3
1052S31.2Very low29.2Very low96 Ų96134.5 Ų134.567%0.67172%0.723SS**  trans53.7141143.6-59.30000121.4
1053Y28.1Very low29.1Very low206 Ų206136.3 Ų136.381%0.80873%0.728SS**  cis-166.2146-12.8-106.8-56.1000108
1054S29.8Very low29.2Very low115 Ų115135.3 Ų135.380%0.80473%0.731SS**  trans61164163.573.40000118.4
1055S28.7Very low29.2Very low101 Ų101136.6 Ų136.671%0.70673%0.733SS**  cis-162.8147.4-39.855.10000110.4
1056V29Very low29.2Very low130 Ų130136 Ų13679%0.78873%0.729SS**  trans68.9105.7167.6-167.90000118
1057C27.4Very low29.1Very low102 Ų102138.1 Ų138.169%0.68974%0.744SS**  trans36.2129.7142.5-50.90000122.2
1058F29.7Very low28.9Very low177 Ų177139.1 Ų139.178%0.77675%0.749SS**  cis-160.1127.5-18.4-116.3-65000109.7
1059K31.6Very low28.8Very low186 Ų186138.8 Ų138.881%0.80976%0.756SS**  trans8111.5164.4-59.5176.2-177.9-179.70117.4
1060H27.8Very low28.5Very low168 Ų168136.9 Ų136.978%0.77876%0.759SS**  58129.255.7-87.6-53.4000118.8
1061R30.1Very low28.4Very low219 Ų219141.1 Ų141.183%0.82677%0.766SS**  trans71.7122.7142-74.2178.7174.1166.7-1.3121.5
1062T27.7Very low28.2Very low123 Ų123144.2 Ų144.276%0.75577%0.77SS**  trans-14134.2136.421.40000118
1063L23.9Very low28.1Very low148 Ų148147.3 Ų147.378%0.77577%0.768SS**  trans44.3112.5146.8-66171.8000119.6
1064P30.5Very low28.1Very low124 Ų124144.8 Ų144.881%0.80576%0.764SS**  trans-96.4139.6135.734.1-27.2000110.8
1065L28.3Very low28Very low146 Ų146146.8 Ų146.876%0.76476%0.76SS**  trans-80.7142.1167.9-84.970000110.2
1066V27.2Very low27.9Very low96 Ų96147.9 Ų147.958%0.58276%0.758SS**  trans40.8118.1136-177.90000118.4N1068V1066-N1068 HydrophobicContact CG1-CB 4.07Å; V1066-N1068 VanDerWaalsContact CG1-N 3.35Å; V1066-N1068 VanDerWaalsContact CG1-OD1 3.25Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.2Å
1067P27.5Very low27.9Very low129 Ų129152 Ų15284%0.83876%0.761SS**  trans-96117.9132.4-14.531.2000110.5
1068N24.7Very low27.9Very low154 Ų154154.3 Ų154.382%0.82476%0.761SS**  trans-84.8114.9168.2-88.7-13.4000108.5V1066V1066-N1068 HydrophobicContact CG1-CB 4.07Å; V1066-N1068 VanDerWaalsContact CG1-N 3.35Å; V1066-N1068 VanDerWaalsContact CG1-OD1 3.25Å; V1066-N1068 WeakPolarHBondContact CG1-OD1 3.2Å
1069S28.4Very low27.8Very low107 Ų107152.3 Ų152.375%0.74876%0.758SS**  trans-144.179.2161.863.30000109.6Y1071S1069-Y1071 PolarHBondContact O-N 3.37Å
1070S25.4Very low27.7Very low107 Ų107149 Ų14975%0.74875%0.754SS**  trans-55.5122.9172.348.40000112.5
1071Y27.6Very low27.7Very low230 Ų230147.5 Ų147.590%0.90275%0.75SS**  trans-148.1104.7148.8-80.6-65.7000109.3S1069S1069-Y1071 PolarHBondContact O-N 3.37Å
1072E28.1Very low27.6Very low164 Ų164140.5 Ų140.577%0.76673%0.729SS**  trans-77.8147.8162.6-67.3-177.5104.700109.6
1073Y28.5Very low27.6Very low162 Ų162138.6 Ų138.664%0.63572%0.717SS**  trans-146.6111.6143.9-113.9-76.3000109.9D79 K80D79-Y1073 WeakPolarHBondContact CA-OH 3.34Å; D79-Y1073 PolarHBondContact N-OH 2.89Å; K80-Y1073 PolarHBondContact N-OH 3.07Å
1074Q27.7Very low27.8Very low153 Ų153135 Ų13572%0.71570%0.704SS**  trans-76.7151.5164.9-64-178.7-6.400109.6
1075H29Very low27.7Very low157 Ų157134.1 Ų134.173%0.72770%0.701SS**  trans-153.9123134.7-99.8-59.4000111.5
1076N26.4Very low27.6Very low123 Ų123132.7 Ų132.766%0.65870%0.703SS**  trans26.8127.7145.1-55-20.9000119.6
1077Y28Very low27.7Very low218 Ų218134 Ų13486%0.85572%0.716SS**  -151.813894.9-99.4-74.1000111.8
1078H28.6Very low27.5Very low150 Ų150133.1 Ų133.169%0.69471%0.714SS**  trans32.4122.1155.6-83.5-16.3000122.1
1079N26.9Very low27.6Very low134 Ų134132.4 Ų132.472%0.71772%0.715SS**  75.9131.778.5-77.531.2000113
1080T28.5Very low27.5Very low118 Ų118132.6 Ų132.672%0.72472%0.716SS**  cis-149.2162.13.2-550000109.7
1081I28.7Very low27.5Very low135 Ų135133.6 Ų133.669%0.69272%0.718SS**  trans-120161.8-177.9-37.4177.6000111.5
1082L28.4Very low27.3Very low72 Ų72128.3 Ų128.338%0.37772%0.715SS.*  trans107.8112.7150.2-67.6125.7000119.9N1169 T1170 T1171L1082-N1169 CarbonylContact O-C 3.52Å; L1082-N1169 WeakPolarHBondContact O-CA 3.49Å; L1082-N1169 VanDerWaalsContact O-CG 3.29Å; L1082-N1169 PolarHBondContact O-OD1 3.33Å; L1082-T1170 HydrophobicContact CB-CG2 3.88Å; L1082-T1170 WeakPolarHBondContact O-CA 3.33Å; L1082-T1170 PolarHBondContact O-N 3.25Å; L1082-T1171 HydrophobicContact CD1-CG2 4.04Å; L1082-T1171 HydrophobicContact CD2-CG2 4.08Å; L1082-T1171 HydrophobicContact CG-CG2 4.48Å
1083T28.2Very low27.3Very low83 Ų83126.8 Ų126.851%0.50971%0.711SS.*  63.6160.8121.265.80000126.2N1169 T1170 T1171T1083-N1169 CarbonylContact O-C 3.39Å; T1083-N1169 WeakPolarHBondContact O-CA 3.25Å; T1083-T1170 PolarHBondContact O-N 2.93Å; T1083-T1170 VanDerWaalsContact OG1-C 3.27Å; T1083-T1170 VanDerWaalsContact OG1-CA 3.25Å; T1083-T1170 WeakPolarHBondContact OG1-CA 3.45Å; T1083-T1170 PolarHBondContact OG1-N 3.08Å; T1083-T1171 PolarHBondContact OG1-N 2.8Å
1084S27.5Very low27.2Very low73 Ų73122.6 Ų122.651%0.5171%0.706SS.*  trans114.9144.9150.2740000117.2
1085S28.4Very low27.1Very low106 Ų106120 Ų12074%0.74170%0.704SS**  trans70.474.8167.2-54.10000120.7
1086S26.6Very low27.1Very low115 Ų115116.8 Ų116.880%0.80470%0.7SS**  trans40.899.5133.2610000121.8
1087S27.5Very low27.3Very low123 Ų123117.5 Ų117.586%0.8670%0.699SS**  trans-168.1176.9130.754.30000110.9
1088S24.6Very low27.3Very low111 Ų111114.4 Ų114.478%0.77669%0.69SS**  trans-85.6127.8-170.6530000114.2
1089T27.3Very low27.2Very low139 Ų139113.9 Ų113.985%0.85369%0.69SS**  trans-158.3169.5155.2-2.40000112.2
1090S25.6Very low27Very low111 Ų111114 Ų11478%0.77670%0.696SS**  trans-75.3128.6-167.749.80000115
1091T24.5Very low26.9Very low128 Ų128111.7 Ų111.779%0.78568%0.682SS**  trans-83.1113.1162.437.30000110.7L1093T1091-L1093 PolarHBondContact O-N 3.46Å
1092S24.4Very low26.6Very low119 Ų119113.1 Ų113.183%0.83269%0.688SS**  trans-73.1115.3169.943.20000110.1
1093L27.1Very low26.5Very low132 Ų132112.3 Ų112.369%0.69169%0.686SS**  trans-78.9125.9176.5-63.5170000109.8T1091T1091-L1093 PolarHBondContact O-N 3.46Å
1094S26.9Very low26.4Very low75 Ų75113.3 Ų113.352%0.52469%0.692SS.*  trans-66.3145-178.2-1770000112.1S1096 Q1097S1094-S1096 PolarHBondContact O-N 3.01Å; S1094-Q1097 PolarHBondContact O-N 3Å
1095S26.7Very low26.3Very low98 Ų98115.4 Ų115.469%0.68569%0.689SS**G310 helixtrans-55.7-25.9-176.2-166.30000113.6Q1097 F1098S1095-Q1097 PolarHBondContact O-N 3.45Å; S1095-F1098 PolarHBondContact O-N 3.49Å
1096S27.6Very low26.5Very low90 Ų90117.2 Ų117.263%0.62968%0.68SS**G310 helixtrans-63.9-17.7176.656.30000114.8S1094 F1098S1094-S1096 PolarHBondContact O-N 3.01Å; S1096-F1098 VanDerWaalsContact C-N 3.33Å; S1096-F1098 PolarHBondContact O-N 3.4Å
1097Q30.5Very low26.8Very low138 Ų138115.6 Ų115.665%0.64566%0.661SS**G310 helixtrans-85.20.4-178.8-65.7-179.1-17.400114S1094 S1095 M1099S1094-Q1097 PolarHBondContact O-N 3Å; S1095-Q1097 PolarHBondContact O-N 3.45Å; Q1097-M1099 VanDerWaalsContact C-N 3.27Å; Q1097-M1099 PolarHBondContact O-N 2.73Å
1098F28.6Very low27.8Very low153 Ų153112.8 Ų112.867%0.67163%0.633SS**G310 helixtrans-78.22.3179.8-86.1-91.5000115.5S1095 S1096 T1100S1095-F1098 PolarHBondContact O-N 3.49Å; S1096-F1098 VanDerWaalsContact C-N 3.33Å; S1096-F1098 PolarHBondContact O-N 3.4Å; F1098-T1100 PolarHBondContact O-N 3.48Å
1099M25.8Very low29.2Very low138 Ų138111.2 Ų111.268%0.6862%0.616SS**  trans-83.980.5-169-69.4-62.6105.500114.5Q1097Q1097-M1099 VanDerWaalsContact C-N 3.27Å; Q1097-M1099 PolarHBondContact O-N 2.73Å
1100T23Very low30.6Very low137 Ų137109.3 Ų109.384%0.8461%0.609SS**  17795.2121.338.20000110.4F1098 M1102F1098-T1100 PolarHBondContact O-N 3.48Å; T1100-M1102 PolarHBondContact O-N 2.96Å
1101P26.3Very low32.3Very low69 Ų69110.5 Ų110.545%0.44860%0.6SS.*  trans-80.6113.9170.831.1-31.6000110.6V1103P1101-V1103 VanDerWaalsContact C-N 3.28Å; P1101-V1103 HydrophobicContact CB-CG2 4.01Å; P1101-V1103 HydrophobicContact CG-CG2 4.3Å; P1101-V1103 PolarHBondContact O-N 2.92Å
1102M23.6Very low33.7Very low166 Ų166105.3 Ų105.382%0.81857%0.567SS**  trans-71.787.3164.7-170.1-178.476.700109.1T1100 T1104T1100-M1102 PolarHBondContact O-N 2.96Å; M1102-T1104 VanDerWaalsContact C-N 3.35Å; M1102-T1104 HydrophobicContact CE-CG2 4.37Å; M1102-T1104 PolarHBondContact O-N 2.87Å
1103V25.6Very low35.3Very low54 Ų54103.2 Ų103.233%0.32755%0.545SS..  trans-7886.8178.2-170.50000109.5P1101 W1105P1101-V1103 VanDerWaalsContact C-N 3.28Å; P1101-V1103 HydrophobicContact CB-CG2 4.01Å; P1101-V1103 HydrophobicContact CG-CG2 4.3Å; P1101-V1103 PolarHBondContact O-N 2.92Å; V1103-W1105 HydrophobicContact CG1-CD2 3.76Å; V1103-W1105 HydrophobicContact CG1-CE3 4.47Å; V1103-W1105 HydrophobicContact CG1-CG 3.92Å; V1103-W1105 HydrophobicContact CG1-CZ2 4.03Å; V1103-W1105 PolarHBondContact O-N 3.23Å
1104T25.6Very low37.2Very low104 Ų104103 Ų10364%0.63854%0.536SS*.  trans-71.4105144.9550000107M1102M1102-T1104 VanDerWaalsContact C-N 3.35Å; M1102-T1104 HydrophobicContact CE-CG2 4.37Å; M1102-T1104 PolarHBondContact O-N 2.87Å
1105W26.1Very low39Very low118 Ų118101.9 Ų101.945%0.44752%0.521SS..  trans-61.1153.1155.3-52.895.1000108.1V1103 A1409 Y1640V1103-W1105 HydrophobicContact CG1-CD2 3.76Å; V1103-W1105 HydrophobicContact CG1-CE3 4.47Å; V1103-W1105 HydrophobicContact CG1-CG 3.92Å; V1103-W1105 HydrophobicContact CG1-CZ2 4.03Å; V1103-W1105 PolarHBondContact O-N 3.23Å; W1105-A1409 HydrophobicContact CH2-CB 4Å; W1105-A1409 HydrophobicContact CZ2-CB 3.57Å; W1105-Y1640 HydrophobicContact CB-CD2 4.22Å; W1105-Y1640 HydrophobicContact CB-CE1 4.13Å; W1105-Y1640 HydrophobicContact CB-CE2 3.76Å; W1105-Y1640 WeakPolarHBondContact O-CE2 3.49Å; W1105-Y1640 PolarHBondContact O-OH 2.89Å
1106R32.8Very low40.7Very low144 Ų14498 Ų9854%0.54349%0.492SS..  trans-155.6134.4150.4-82.3-154.4175174.11.6105.5K1108 S1326 Y1640R1106-K1108 PolarHBondContact O-N 3.22Å; R1106-S1326 PolarHBondContact NH1-O 3.48Å; R1106-Y1640 HydrophobicContact CB-CE2 4.44Å; R1106-Y1640 HydrophobicContact CG-CE2 4.1Å
1107I32.6Very low42.5Very low80 Ų80100.5 Ų100.541%0.4149%0.492SS..PPolyproline II helixtrans-52.7118.7163.2-58.4174.1000105.6D1109 S1639I1107-D1109 PolarHBondContact O-N 3.49Å; I1107-S1639 WeakPolarHBondContact CD1-O 3.27Å
1108K48.8Very low44.5Very low64 Ų6496.9 Ų96.928%0.27847%0.474SS..PPolyproline II helixtrans-70.3119.4-179.2-69.3-176.5-176.3-178.60107.8R1106 E1112 I1113 D1116R1106-K1108 PolarHBondContact O-N 3.22Å; K1108-E1112 HydrophobicContact CB-CB 4.14Å; K1108-I1113 HydrophobicContact CB-CD1 4.27Å; K1108-I1113 HydrophobicContact CB-CG1 3.64Å; K1108-I1113 HydrophobicContact CD-CG1 4.47Å; K1108-I1113 WeakPolarHBondContact O-CD1 3.07Å; K1108-D1116 IonicContact NZ-OD2 3.95Å; K1108-D1116 PolarHBondContact NZ-OD2 2.99Å
1109D53.1Low46.4Very low78 Ų7889.7 Ų89.742%0.41744%0.443SS..PPolyproline II helixtrans-46.7148.8169.9-58.1-29.1000109.9I1107 K1111 E1112 I1113I1107-D1109 PolarHBondContact O-N 3.49Å; D1109-K1111 HydrophobicContact CB-CB 4.37Å; D1109-K1111 CarbonylContact O-C 3.55Å; D1109-K1111 PolarHBondContact O-N 3.41Å; D1109-E1112 HydrophobicContact CB-CG 4.29Å; D1109-E1112 WeakPolarHBondContact O-CA 3.45Å; D1109-E1112 PolarHBondContact O-N 3.35Å; D1109-I1113 PolarHBondContact O-N 2.86Å
1110S57.8Low48.4Very low100 Ų10085.2 Ų85.270%0.69942%0.421SS*.Hα-helixtrans-51.3-30.717357.90000112.6Y1114S1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; S1110-Y1114 PolarHBondContact O-N 3.43Å
1111K61Low50.7Low135 Ų13587 Ų8759%0.58741%0.413SS*.Hα-helixtrans-66.1-44.4170.9-64.8174.5-177.5169.70113.3D1109 Y1114 Y1115D1109-K1111 HydrophobicContact CB-CB 4.37Å; D1109-K1111 CarbonylContact O-C 3.55Å; D1109-K1111 PolarHBondContact O-N 3.41Å; K1111-Y1114 WeakPolarHBondContact O-CB 3.36Å; K1111-Y1114 PolarHBondContact O-N 2.89Å; K1111-Y1115 HydrophobicContact CB-CE2 4.4Å; K1111-Y1115 WeakPolarHBondContact O-CD2 3.4Å; K1111-Y1115 PolarHBondContact O-N 3.28Å
1112E53.4Low52.8Low20 Ų2084.2 Ų84.29%0.09339%0.394CS..Hα-helixtrans-68.9-38176.1-62.9-145.1154.500111.6K1108 D1109 Y1114 Y1115 D1116 N1322K1108-E1112 HydrophobicContact CB-CB 4.14Å; D1109-E1112 HydrophobicContact CB-CG 4.29Å; D1109-E1112 WeakPolarHBondContact O-CA 3.45Å; D1109-E1112 PolarHBondContact O-N 3.35Å; E1112-Y1114 VanDerWaalsContact C-N 3.33Å; E1112-Y1114 PolarHBondContact O-N 3.38Å; E1112-Y1115 PolarHBondContact O-N 2.93Å; E1112-D1116 WeakPolarHBondContact O-CB 3.25Å; E1112-D1116 PolarHBondContact O-N 3.09Å; E1112-N1322 WeakPolarHBondContact CG-ND2 3.48Å; E1112-N1322 PolarHBondContact OE1-ND2 2.81Å
1113I59.4Low54.8Low74 Ų7477.3 Ų77.338%0.37936%0.36SS..Hα-helixtrans-61.7-42.4172.3-61.5174.7000110.7K1108 D1109 D1116 K1117K1108-I1113 HydrophobicContact CB-CD1 4.27Å; K1108-I1113 HydrophobicContact CB-CG1 3.64Å; K1108-I1113 HydrophobicContact CD-CG1 4.47Å; K1108-I1113 WeakPolarHBondContact O-CD1 3.07Å; D1109-I1113 PolarHBondContact O-N 2.86Å; I1113-D1116 PolarHBondContact O-N 3.36Å; I1113-K1117 HydrophobicContact CG2-CD 4.29Å; I1113-K1117 WeakPolarHBondContact O-CB 3.46Å; I1113-K1117 WeakPolarHBondContact O-CG 3.26Å; I1113-K1117 PolarHBondContact O-N 2.91Å
1114Y66.7Low57Low127 Ų12780.4 Ų80.450%0.49837%0.371SS..Hα-helixtrans-61-46.8174.3175.8-91.1000112S1110 K1111 E1112 K1118S1110-Y1114 WeakPolarHBondContact O-CB 3.5Å; S1110-Y1114 PolarHBondContact O-N 3.43Å; K1111-Y1114 WeakPolarHBondContact O-CB 3.36Å; K1111-Y1114 PolarHBondContact O-N 2.89Å; E1112-Y1114 VanDerWaalsContact C-N 3.33Å; E1112-Y1114 PolarHBondContact O-N 3.38Å; Y1114-K1118 HydrophobicContact CE1-CD 3.77Å; Y1114-K1118 VanDerWaalsContact O-CB 3.3Å; Y1114-K1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-K1118 PolarHBondContact O-N 3.33Å; Y1114-K1118 PolarHBondContact OH-NZ 3.3Å
1115Y65Low59.1Low52 Ų5279.5 Ų79.520%0.20436%0.36CS..Hα-helixtrans-66.5-38.2178-67.3-49.4000112.7K1111 E1112 K1118 L1119 Y1315 L1318K1111-Y1115 HydrophobicContact CB-CE2 4.4Å; K1111-Y1115 WeakPolarHBondContact O-CD2 3.4Å; K1111-Y1115 PolarHBondContact O-N 3.28Å; E1112-Y1115 PolarHBondContact O-N 2.93Å; Y1115-K1118 CarbonylContact O-C 3.58Å; Y1115-K1118 PolarHBondContact O-N 3.28Å; Y1115-L1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-L1119 VanDerWaalsContact O-CG 3.3Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.45Å; Y1115-Y1315 AromaticContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CE1 4.34Å; Y1115-Y1315 HydrophobicContact CE1-CD1 4.05Å; Y1115-Y1315 HydrophobicContact CE1-CE1 4.32Å; Y1115-L1318 HydrophobicContact CE1-CD1 4.29Å
1116D60.7Low61.1Low16 Ų1674.1 Ų74.19%0.08634%0.34CS..Hα-helixtrans-65-45.9176.5-8010.7000111.5K1108 E1112 I1113 K1118 L1119 L1120 R1319K1108-D1116 IonicContact NZ-OD2 3.95Å; K1108-D1116 PolarHBondContact NZ-OD2 2.99Å; E1112-D1116 WeakPolarHBondContact O-CB 3.25Å; E1112-D1116 PolarHBondContact O-N 3.09Å; I1113-D1116 PolarHBondContact O-N 3.36Å; D1116-K1118 PolarHBondContact O-N 3.39Å; D1116-L1119 PolarHBondContact O-N 3.23Å; D1116-L1120 PolarHBondContact O-N 3.22Å; D1116-R1319 VanDerWaalsContact CG-NH2 3.28Å; D1116-R1319 IonicContact OD1-CZ 3.4Å; D1116-R1319 IonicContact OD1-NE 3.44Å; D1116-R1319 PolarHBondContact OD1-NE 3.24Å; D1116-R1319 IonicContact OD1-NH2 3.08Å; D1116-R1319 PolarHBondContact OD1-NH2 3.33Å; D1116-R1319 IonicContact OD2-NH2 2.57Å; D1116-R1319 PolarHBondContact OD2-NH2 2.98Å
1117K66.9Low62.8Low143 Ų14369.7 Ų69.762%0.62233%0.329SS*.Hα-helixtrans-59.6-34.7173.2-73.6179.9178.3-177.30112.2I1113 R1121I1113-K1117 HydrophobicContact CG2-CD 4.29Å; I1113-K1117 WeakPolarHBondContact O-CB 3.46Å; I1113-K1117 WeakPolarHBondContact O-CG 3.26Å; I1113-K1117 PolarHBondContact O-N 2.91Å; K1117-R1121 WeakPolarHBondContact O-CG 3.42Å; K1117-R1121 PolarHBondContact O-N 3.19Å
1118K70.9Confident64Low63 Ų6371.3 Ų71.327%0.27434%0.339SS..Hα-helixtrans-81.4-27.1-179.7-154.2167-166.5-175.70113.3Y1114 Y1115 D1116 L1122 Y1315Y1114-K1118 HydrophobicContact CE1-CD 3.77Å; Y1114-K1118 VanDerWaalsContact O-CB 3.3Å; Y1114-K1118 WeakPolarHBondContact O-CB 3.44Å; Y1114-K1118 PolarHBondContact O-N 3.33Å; Y1114-K1118 PolarHBondContact OH-NZ 3.3Å; Y1115-K1118 CarbonylContact O-C 3.58Å; Y1115-K1118 PolarHBondContact O-N 3.28Å; D1116-K1118 PolarHBondContact O-N 3.39Å; K1118-L1122 WeakPolarHBondContact O-CD1 3.35Å; K1118-L1122 VanDerWaalsContact O-CG 3.31Å; K1118-L1122 WeakPolarHBondContact O-CG 3.32Å; K1118-L1122 PolarHBondContact O-N 2.87Å; K1118-Y1315 HydrophobicContact CD-CD1 4.45Å; K1118-Y1315 HydrophobicContact CD-CE1 3.77Å; K1118-Y1315 HydrophobicContact CD-CE2 4.23Å; K1118-Y1315 WeakPolarHBondContact CE-OH 3.45Å; K1118-Y1315 HydrophobicContact CG-CE2 4.35Å; K1118-Y1315 PolarHBondContact NZ-OH 3.08Å
1119L69Low64.3Low1 Ų173.6 Ų73.61%0.00535%0.354CS..Hα-helixtrans-69.2-46.9168.3-77.3167.2000110.5Y1115 D1116 R1121 L1122 I1123 L1145 L1312Y1115-L1119 WeakPolarHBondContact O-CB 3.48Å; Y1115-L1119 VanDerWaalsContact O-CG 3.3Å; Y1115-L1119 WeakPolarHBondContact O-CG 3.48Å; Y1115-L1119 PolarHBondContact O-N 3.45Å; D1116-L1119 PolarHBondContact O-N 3.23Å; L1119-R1121 PolarHBondContact O-N 3.31Å; L1119-L1122 PolarHBondContact O-N 3.35Å; L1119-I1123 WeakPolarHBondContact O-CG1 3.46Å; L1119-I1123 PolarHBondContact O-N 3.3Å; L1119-I1123 VanDerWaalsContact O-N 3.08Å; L1119-L1145 HydrophobicContact CB-CD2 4.35Å; L1119-L1312 HydrophobicContact CD2-CD1 3.77Å; L1119-L1312 HydrophobicContact CD2-CG 4.41Å
1120L67.8Low64.6Low45 Ų4573 Ų7324%0.23635%0.348CS..Hα-helixtrans-56.7-50.9178.8-166.569.1000111.4D1116 L1122 I1123 E1124D1116-L1120 PolarHBondContact O-N 3.22Å; L1120-L1122 PolarHBondContact O-N 2.8Å; L1120-L1122 VanDerWaalsContact O-N 3.09Å; L1120-I1123 WeakPolarHBondContact O-CB 3.08Å; L1120-I1123 PolarHBondContact O-N 3.4Å; L1120-E1124 WeakPolarHBondContact CG-OE1 3.33Å; L1120-E1124 WeakPolarHBondContact O-CG 3.36Å; L1120-E1124 PolarHBondContact O-N 3.36Å
1121R72.1Confident64.6Low173 Ų17371.1 Ų71.165%0.65333%0.328SS*.Hα-helixtrans-59.1-20174-74.2-177.9176.6-170.7-1.1115.6K1117 L1119 E1124 Q1125K1117-R1121 WeakPolarHBondContact O-CG 3.42Å; K1117-R1121 PolarHBondContact O-N 3.19Å; L1119-R1121 PolarHBondContact O-N 3.31Å; R1121-E1124 WeakPolarHBondContact CA-OE2 3.47Å; R1121-Q1125 VanDerWaalsContact O-CD 3.31Å; R1121-Q1125 VanDerWaalsContact O-CG 3.27Å; R1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; R1121-Q1125 PolarHBondContact O-NE2 2.96Å
1122L69.9Low64.2Low11 Ų1170.7 Ų70.76%0.05833%0.332CS..Hα-helixtrans-91.7-16.8174.5-75168.7000112.8K1118 L1119 L1120 I1308 R1311 L1312 Y1315K1118-L1122 WeakPolarHBondContact O-CD1 3.35Å; K1118-L1122 VanDerWaalsContact O-CG 3.31Å; K1118-L1122 WeakPolarHBondContact O-CG 3.32Å; K1118-L1122 PolarHBondContact O-N 2.87Å; L1119-L1122 PolarHBondContact O-N 3.35Å; L1120-L1122 PolarHBondContact O-N 2.8Å; L1120-L1122 VanDerWaalsContact O-N 3.09Å; L1122-I1308 HydrophobicContact CD2-CG2 4.24Å; L1122-I1308 WeakPolarHBondContact O-CG2 3.33Å; L1122-R1311 HydrophobicContact CD1-CB 3.85Å; L1122-R1311 HydrophobicContact CD2-CB 3.82Å; L1122-L1312 HydrophobicContact CB-CD1 3.99Å; L1122-Y1315 HydrophobicContact CD1-CD2 3.46Å; L1122-Y1315 VanDerWaalsContact CD1-CD2 3.46Å; L1122-Y1315 HydrophobicContact CD1-CE2 3.8Å
1123I66.2Low64.4Low22 Ų2270.7 Ų70.711%0.11333%0.334CS..Hα-helixtrans-85.1-42.5173.8-63.5163.7000109.4L1119 L1120 Q1125 L1126 Q1131 I1134 L1138 L1145 L1312L1119-I1123 WeakPolarHBondContact O-CG1 3.46Å; L1119-I1123 PolarHBondContact O-N 3.3Å; L1119-I1123 VanDerWaalsContact O-N 3.08Å; L1120-I1123 WeakPolarHBondContact O-CB 3.08Å; L1120-I1123 PolarHBondContact O-N 3.4Å; I1123-Q1125 PolarHBondContact O-N 3.11Å; I1123-Q1125 VanDerWaalsContact O-N 3.11Å; I1123-L1126 WeakPolarHBondContact O-CB 3.38Å; I1123-L1126 PolarHBondContact O-N 3.27Å; I1123-Q1131 HydrophobicContact CG2-CB 4.41Å; I1123-Q1131 HydrophobicContact CG2-CG 4.25Å; I1123-Q1131 WeakPolarHBondContact O-CG 3.42Å; I1123-I1134 HydrophobicContact CD1-CG2 4.25Å; I1123-I1134 HydrophobicContact CG1-CG2 3.94Å; I1123-I1134 HydrophobicContact CG2-CG2 4.46Å; I1123-L1138 HydrophobicContact CD1-CD1 3.64Å; I1123-L1145 HydrophobicContact CD1-CD1 3.29Å; I1123-L1312 HydrophobicContact CD1-CD1 4.49Å; I1123-L1312 HydrophobicContact CG1-CD1 3.91Å
1124E70.3Confident64.4Low118 Ų11867.2 Ų67.255%0.55132%0.317SS*.THydrogen-bonded Turntrans-54-26.9170.7-68.5163-175.700113L1120 R1121L1120-E1124 WeakPolarHBondContact CG-OE1 3.33Å; L1120-E1124 WeakPolarHBondContact O-CG 3.36Å; L1120-E1124 PolarHBondContact O-N 3.36Å; R1121-E1124 WeakPolarHBondContact CA-OE2 3.47Å
1125Q70Confident63.5Low85 Ų8562.6 Ų62.640%0.39731%0.307SS..THydrogen-bonded Turntrans-82.5-5.7177.2-72.6174.713.100114.2R1121 I1123 I1308R1121-Q1125 VanDerWaalsContact O-CD 3.31Å; R1121-Q1125 VanDerWaalsContact O-CG 3.27Å; R1121-Q1125 WeakPolarHBondContact O-CG 3.47Å; R1121-Q1125 PolarHBondContact O-NE2 2.96Å; I1123-Q1125 PolarHBondContact O-N 3.11Å; I1123-Q1125 VanDerWaalsContact O-N 3.11Å; Q1125-I1308 HydrophobicContact CB-CD1 3.9Å; Q1125-I1308 HydrophobicContact CB-CG1 4.3Å; Q1125-I1308 HydrophobicContact CB-CG2 4.22Å; Q1125-I1308 WeakPolarHBondContact O-CD1 3.3Å
1126L69.1Low62.7Low5 Ų565.9 Ų65.93%0.02633%0.328CS..SBendtrans-91.7148177.4-64.1171.3000111.2I1123 Q1131 I1134 V1305 I1308 L1309I1123-L1126 WeakPolarHBondContact O-CB 3.38Å; I1123-L1126 PolarHBondContact O-N 3.27Å; L1126-Q1131 HydrophobicContact CB-CG 4.12Å; L1126-Q1131 WeakPolarHBondContact O-CG 3.33Å; L1126-Q1131 PolarHBondContact O-NE2 3.1Å; L1126-I1134 HydrophobicContact CD1-CB 4.22Å; L1126-I1134 HydrophobicContact CD1-CD1 4.08Å; L1126-I1134 HydrophobicContact CD1-CG1 3.79Å; L1126-I1134 HydrophobicContact CD1-CG2 4.43Å; L1126-V1305 HydrophobicContact CD2-CG1 4.03Å; L1126-I1308 HydrophobicContact CD2-CB 4.18Å; L1126-I1308 HydrophobicContact CD2-CG2 3.67Å; L1126-I1308 HydrophobicContact CG-CG2 4.01Å; L1126-L1309 HydrophobicContact CD1-CD2 4.48Å; L1126-L1309 HydrophobicContact CD2-CD2 4.27Å; L1126-L1309 HydrophobicContact CD2-CG 4.33Å
1127P67.7Low62.6Low51 Ų5166.8 Ų66.833%0.33133%0.332SS..  trans-55.7144.4167.6-24.234.3000112.1D1129 K1130 Q1131P1127-D1129 VanDerWaalsContact C-N 3.35Å; P1127-D1129 PolarHBondContact O-N 3.37Å; P1127-K1130 CarbonylContact O-C 3.59Å; P1127-K1130 WeakPolarHBondContact O-CA 3.08Å; P1127-K1130 WeakPolarHBondContact O-CB 3.34Å; P1127-K1130 PolarHBondContact O-N 3.38Å; P1127-Q1131 PolarHBondContact O-N 2.82Å
1128N58.6Low62Low115 Ų11560.2 Ų60.262%0.61530%0.304SS*.Hα-helixtrans-55.1-44.4-171-66.4-0.3000113.4K1130 Q1131 N1132N1128-K1130 PolarHBondContact O-N 3.31Å; N1128-K1130 VanDerWaalsContact O-N 3.11Å; N1128-Q1131 WeakPolarHBondContact O-CB 3.47Å; N1128-Q1131 PolarHBondContact O-N 2.98Å; N1128-Q1131 PolarHBondContact OD1-NE2 3.19Å; N1128-N1132 PolarHBondContact O-N 3.27Å
1129D55.1Low60.8Low111 Ų11162.6 Ų62.659%0.59432%0.319SS*.Hα-helixtrans-54.3-26.9172.828.2-72.8000113.5P1127 S1133P1127-D1129 VanDerWaalsContact C-N 3.35Å; P1127-D1129 PolarHBondContact O-N 3.37Å; D1129-S1133 PolarHBondContact O-OG 3.49Å
1130K59.8Low59.5Low67 Ų6766.8 Ų66.829%0.29135%0.354SS..Hα-helixtrans-95.6-22174.6-65.8172.1-172.4165.50113P1127 N1128 S1133 I1134 V1305P1127-K1130 CarbonylContact O-C 3.59Å; P1127-K1130 WeakPolarHBondContact O-CA 3.08Å; P1127-K1130 WeakPolarHBondContact O-CB 3.34Å; P1127-K1130 PolarHBondContact O-N 3.38Å; N1128-K1130 PolarHBondContact O-N 3.31Å; N1128-K1130 VanDerWaalsContact O-N 3.11Å; K1130-S1133 WeakPolarHBondContact O-CB 3.41Å; K1130-S1133 PolarHBondContact O-N 3.42Å; K1130-I1134 WeakPolarHBondContact O-CB 3.34Å; K1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; K1130-I1134 PolarHBondContact O-N 2.79Å; K1130-V1305 HydrophobicContact CD-CG1 4.43Å
1131Q58Low58.5Low59 Ų5967.5 Ų67.528%0.27636%0.357SS..Hα-helixtrans-62.2-48.3172.8-65.2-179.616.200111.2I1123 L1126 P1127 N1128 S1133 I1134 G1135I1123-Q1131 HydrophobicContact CG2-CB 4.41Å; I1123-Q1131 HydrophobicContact CG2-CG 4.25Å; I1123-Q1131 WeakPolarHBondContact O-CG 3.42Å; L1126-Q1131 HydrophobicContact CB-CG 4.12Å; L1126-Q1131 WeakPolarHBondContact O-CG 3.33Å; L1126-Q1131 PolarHBondContact O-NE2 3.1Å; P1127-Q1131 PolarHBondContact O-N 2.82Å; N1128-Q1131 WeakPolarHBondContact O-CB 3.47Å; N1128-Q1131 PolarHBondContact O-N 2.98Å; N1128-Q1131 PolarHBondContact OD1-NE2 3.19Å; Q1131-S1133 VanDerWaalsContact C-N 3.3Å; Q1131-S1133 PolarHBondContact O-N 2.89Å; Q1131-I1134 PolarHBondContact O-N 3Å; Q1131-G1135 PolarHBondContact O-N 3Å
1132N51.3Low57.1Low126 Ų12666.1 Ų66.167%0.67436%0.362SS*.Hα-helixtrans-58.6-42.5175.7-73-17.4000111.9N1128 G1135 L1136N1128-N1132 PolarHBondContact O-N 3.27Å; N1132-G1135 PolarHBondContact O-N 3.25Å; N1132-L1136 WeakPolarHBondContact O-CG 3.38Å; N1132-L1136 PolarHBondContact O-N 3.03Å
1133S58.9Low56Low20 Ų2066.1 Ų66.114%0.1436%0.363CS..Hα-helixtrans-61.5-44.4176-63.90000112.7D1129 K1130 Q1131 L1136 I1137D1129-S1133 PolarHBondContact O-OG 3.49Å; K1130-S1133 WeakPolarHBondContact O-CB 3.41Å; K1130-S1133 PolarHBondContact O-N 3.42Å; Q1131-S1133 VanDerWaalsContact C-N 3.3Å; Q1131-S1133 PolarHBondContact O-N 2.89Å; S1133-L1136 PolarHBondContact O-N 2.93Å; S1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; S1133-I1137 VanDerWaalsContact O-CG1 3.3Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.4Å; S1133-I1137 PolarHBondContact O-N 3.06Å; S1133-I1137 VanDerWaalsContact O-N 3.11Å
1134I57.7Low55.1Low2 Ų270.4 Ų70.41%0.0138%0.38CS..Hα-helixtrans-68.9-36.3175.9-91.565.1000110.9I1123 L1126 K1130 Q1131 I1137 L1138 L1201 L1309 L1312I1123-I1134 HydrophobicContact CD1-CG2 4.25Å; I1123-I1134 HydrophobicContact CG1-CG2 3.94Å; I1123-I1134 HydrophobicContact CG2-CG2 4.46Å; L1126-I1134 HydrophobicContact CD1-CB 4.22Å; L1126-I1134 HydrophobicContact CD1-CD1 4.08Å; L1126-I1134 HydrophobicContact CD1-CG1 3.79Å; L1126-I1134 HydrophobicContact CD1-CG2 4.43Å; K1130-I1134 WeakPolarHBondContact O-CB 3.34Å; K1130-I1134 WeakPolarHBondContact O-CD1 3.37Å; K1130-I1134 PolarHBondContact O-N 2.79Å; Q1131-I1134 PolarHBondContact O-N 3Å; I1134-I1137 PolarHBondContact O-N 3.39Å; I1134-L1138 HydrophobicContact CG2-CD1 3.65Å; I1134-L1138 HydrophobicContact CG2-CG 4.24Å; I1134-L1138 WeakPolarHBondContact O-CB 3.45Å; I1134-L1138 VanDerWaalsContact O-CG 3.23Å; I1134-L1138 WeakPolarHBondContact O-CG 3.28Å; I1134-L1138 PolarHBondContact O-N 3.33Å; I1134-L1201 HydrophobicContact CD1-CD1 4.47Å; I1134-L1201 HydrophobicContact CD1-CD2 4.01Å; I1134-L1309 HydrophobicContact CD1-CD2 4.06Å; I1134-L1309 HydrophobicContact CG1-CD2 4.38Å; I1134-L1312 HydrophobicContact CG1-CD2 3.95Å; I1134-L1312 HydrophobicContact CG2-CD2 4.02Å
1135G48.1Very low53.6Low29 Ų2967.1 Ų67.130%0.29937%0.367SS..Hα-helixtrans-58.2-47.6173.500000112.3Q1131 N1132 I1137 L1138 L1139Q1131-G1135 PolarHBondContact O-N 3Å; N1132-G1135 PolarHBondContact O-N 3.25Å; G1135-I1137 PolarHBondContact O-N 2.7Å; G1135-L1138 PolarHBondContact O-N 2.82Å; G1135-L1139 WeakPolarHBondContact O-CB 3.46Å; G1135-L1139 VanDerWaalsContact O-CG 3.31Å; G1135-L1139 WeakPolarHBondContact O-CG 3.35Å; G1135-L1139 PolarHBondContact O-N 3.39Å
1136L49.8Very low51.9Low121 Ų12170.5 Ų70.563%0.63438%0.38SS*.Hα-helixtrans-61.4-41.9174.4-71.9169.9000112.5N1132 S1133 L1139 A1140N1132-L1136 WeakPolarHBondContact O-CG 3.38Å; N1132-L1136 PolarHBondContact O-N 3.03Å; S1133-L1136 PolarHBondContact O-N 2.93Å; L1136-L1139 PolarHBondContact O-N 2.91Å; L1136-A1140 WeakPolarHBondContact O-CB 3.36Å; L1136-A1140 PolarHBondContact O-N 3.34Å
1137I56.7Low50.1Low35 Ų3575.7 Ų75.718%0.17941%0.408CS..Hα-helixtrans-65.1-38.7176.7-67.7164.4000111.4S1133 I1134 G1135 A1140 M1141 L1197 A1200S1133-I1137 WeakPolarHBondContact O-CD1 3.49Å; S1133-I1137 VanDerWaalsContact O-CG1 3.3Å; S1133-I1137 WeakPolarHBondContact O-CG1 3.4Å; S1133-I1137 PolarHBondContact O-N 3.06Å; S1133-I1137 VanDerWaalsContact O-N 3.11Å; I1134-I1137 PolarHBondContact O-N 3.39Å; G1135-I1137 PolarHBondContact O-N 2.7Å; I1137-A1140 PolarHBondContact O-N 2.96Å; I1137-M1141 HydrophobicContact CG2-SD 4.28Å; I1137-M1141 VanDerWaalsContact O-CG 3.3Å; I1137-M1141 WeakPolarHBondContact O-CG 3.36Å; I1137-M1141 PolarHBondContact O-N 2.93Å; I1137-L1197 HydrophobicContact CD1-CD2 4.32Å; I1137-L1197 HydrophobicContact CG2-CD2 3.95Å; I1137-A1200 HydrophobicContact CD1-CB 4.08Å
1138L54.7Low48.2Very low6 Ų682.9 Ų82.93%0.03143%0.43CS..Hα-helixtrans-71.5-39.1177.8-69.9170.1000111.8I1123 I1134 G1135 M1141 D1142 V1143 L1145 L1316I1123-L1138 HydrophobicContact CD1-CD1 3.64Å; I1134-L1138 HydrophobicContact CG2-CD1 3.65Å; I1134-L1138 HydrophobicContact CG2-CG 4.24Å; I1134-L1138 WeakPolarHBondContact O-CB 3.45Å; I1134-L1138 VanDerWaalsContact O-CG 3.23Å; I1134-L1138 WeakPolarHBondContact O-CG 3.28Å; I1134-L1138 PolarHBondContact O-N 3.33Å; G1135-L1138 PolarHBondContact O-N 2.82Å; L1138-M1141 CarbonylContact O-C 3.51Å; L1138-M1141 PolarHBondContact O-N 3.43Å; L1138-M1141 VanDerWaalsContact O-N 3.08Å; L1138-D1142 PolarHBondContact O-N 2.88Å; L1138-V1143 HydrophobicContact CB-CB 4.08Å; L1138-V1143 HydrophobicContact CB-CG1 4.32Å; L1138-V1143 HydrophobicContact CD2-CB 4.03Å; L1138-V1143 HydrophobicContact CD2-CG1 3.86Å; L1138-V1143 HydrophobicContact CD2-CG2 4.49Å; L1138-V1143 WeakPolarHBondContact O-CA 3.28Å; L1138-V1143 WeakPolarHBondContact O-CB 3.45Å; L1138-V1143 PolarHBondContact O-N 3.32Å; L1138-L1145 HydrophobicContact CD1-CD1 3.84Å; L1138-L1316 HydrophobicContact CD2-CD1 3.76Å; L1138-L1316 HydrophobicContact CD2-CD2 3.97Å
1139L46.4Very low46.9Very low113 Ų11381.6 Ų81.659%0.59242%0.423SS*.Hα-helixtrans-60.8-45171.4-74.3166.9000111.4G1135 L1136 M1141 D1142G1135-L1139 WeakPolarHBondContact O-CB 3.46Å; G1135-L1139 VanDerWaalsContact O-CG 3.31Å; G1135-L1139 WeakPolarHBondContact O-CG 3.35Å; G1135-L1139 PolarHBondContact O-N 3.39Å; L1136-L1139 PolarHBondContact O-N 2.91Å; L1139-M1141 PolarHBondContact O-N 3.38Å; L1139-D1142 PolarHBondContact O-N 2.9Å; L1139-D1142 VanDerWaalsContact O-N 3.11Å
1140A41.9Very low45.7Very low89 Ų8983.4 Ų83.474%0.73643%0.431SS*.THydrogen-bonded Turntrans-66.5-2.2174.100000114.5L1136 I1137L1136-A1140 WeakPolarHBondContact O-CB 3.36Å; L1136-A1140 PolarHBondContact O-N 3.34Å; I1137-A1140 PolarHBondContact O-N 2.96Å
1141M45.6Very low44.1Very low60 Ų6086.8 Ų86.830%0.29645%0.452SS..THydrogen-bonded Turntrans-117.115.3175.2-70.5-178.260.400113.1I1137 L1138 L1139 V1143 L1193 L1316 I1320I1137-M1141 HydrophobicContact CG2-SD 4.28Å; I1137-M1141 VanDerWaalsContact O-CG 3.3Å; I1137-M1141 WeakPolarHBondContact O-CG 3.36Å; I1137-M1141 PolarHBondContact O-N 2.93Å; L1138-M1141 CarbonylContact O-C 3.51Å; L1138-M1141 PolarHBondContact O-N 3.43Å; L1138-M1141 VanDerWaalsContact O-N 3.08Å; L1139-M1141 PolarHBondContact O-N 3.38Å; M1141-V1143 HydrophobicContact CB-CG2 4.22Å; M1141-V1143 PolarHBondContact O-N 3.39Å; M1141-V1143 VanDerWaalsContact O-N 3.16Å; M1141-L1193 HydrophobicContact CE-CD1 3.78Å; M1141-L1193 HydrophobicContact CE-CD2 4.41Å; M1141-L1193 HydrophobicContact SD-CD1 4.19Å; M1141-L1316 HydrophobicContact CE-CD1 4.27Å; M1141-L1316 HydrophobicContact CE-CD2 3.7Å; M1141-L1316 HydrophobicContact CE-CG 3.89Å; M1141-L1316 HydrophobicContact SD-CD2 3.92Å; M1141-I1320 HydrophobicContact CE-CD1 3.71Å
1142D44.1Very low42.6Very low143 Ų14392.9 Ų92.977%0.76548%0.478SS*.THydrogen-bonded Turntrans55.824.7-173.5-76.4-49.1000114.2L1138 L1139 K1144L1138-D1142 PolarHBondContact O-N 2.88Å; L1139-D1142 PolarHBondContact O-N 2.9Å; L1139-D1142 VanDerWaalsContact O-N 3.11Å; D1142-K1144 PolarHBondContact O-N 2.97Å
1143V45.7Very low41.2Very low11 Ų1191.7 Ų91.77%0.06748%0.48CS..  trans-9177.3177.7178.80000110.2L1138 M1141 L1145 L1316L1138-V1143 HydrophobicContact CB-CB 4.08Å; L1138-V1143 HydrophobicContact CB-CG1 4.32Å; L1138-V1143 HydrophobicContact CD2-CB 4.03Å; L1138-V1143 HydrophobicContact CD2-CG1 3.86Å; L1138-V1143 HydrophobicContact CD2-CG2 4.49Å; L1138-V1143 WeakPolarHBondContact O-CA 3.28Å; L1138-V1143 WeakPolarHBondContact O-CB 3.45Å; L1138-V1143 PolarHBondContact O-N 3.32Å; M1141-V1143 HydrophobicContact CB-CG2 4.22Å; M1141-V1143 PolarHBondContact O-N 3.39Å; M1141-V1143 VanDerWaalsContact O-N 3.16Å; V1143-L1145 HydrophobicContact CG1-CG 4.34Å; V1143-L1145 PolarHBondContact O-N 3.41Å; V1143-L1145 VanDerWaalsContact O-N 3.1Å; V1143-L1316 HydrophobicContact CG2-CD1 3.9Å
1144K47.2Very low39.9Very low112 Ų11297 Ų9749%0.48751%0.512SS..  trans-62.4108.1162.8-65.7-175.4179.8-1780109.6D1142D1142-K1144 PolarHBondContact O-N 2.97Å
1145L39.6Very low38.3Very low50 Ų50103.9 Ų103.926%0.26255%0.549SS..  trans-90.6128.7159.9-71.8169.3000107.7L1119 I1123 L1138 V1143L1119-L1145 HydrophobicContact CB-CD2 4.35Å; I1123-L1145 HydrophobicContact CD1-CD1 3.29Å; L1138-L1145 HydrophobicContact CD1-CD1 3.84Å; V1143-L1145 HydrophobicContact CG1-CG 4.34Å; V1143-L1145 PolarHBondContact O-N 3.41Å; V1143-L1145 VanDerWaalsContact O-N 3.1Å
1146F34.3Very low37.4Very low155 Ų155109.4 Ų109.468%0.6858%0.576SS**  trans-87.5116.3170.6-78-96.4000107.8Y1148F1146-Y1148 PolarHBondContact O-N 2.94Å
1147N32Very low36.3Very low115 Ų115108.2 Ų108.262%0.61557%0.574SS**  trans-78.1108.2175.7-163.821.2000109.1N1149N1147-N1149 PolarHBondContact ND2-OD1 3.24Å; N1147-N1149 PolarHBondContact O-N 3.49Å
1148Y28Very low34.9Very low201 Ų201116.1 Ų116.179%0.78860%0.603SS**  trans-85.496176.9-140.2-84.4000107F1146 I1150F1146-Y1148 PolarHBondContact O-N 2.94Å; Y1148-I1150 PolarHBondContact O-N 3.35Å
1149N29.9Very low33.7Very low89 Ų89122.6 Ų122.648%0.47663%0.633SS.*  trans-62.594.9-174.2-101.557.9000111.6N1147 N1151N1147-N1149 PolarHBondContact ND2-OD1 3.24Å; N1147-N1149 PolarHBondContact O-N 3.49Å; N1149-N1151 PolarHBondContact ND2-OD1 2.77Å; N1149-N1151 PolarHBondContact O-N 3.5Å
1150I29.3Very low32.8Very low148 Ų148120.8 Ų120.876%0.75963%0.627SS**  trans-79.774.9165-55.4177.1000107.1Y1148 K1152Y1148-I1150 PolarHBondContact O-N 3.35Å; I1150-K1152 HydrophobicContact CG2-CB 4.29Å; I1150-K1152 PolarHBondContact O-N 2.83Å
1151N26.6Very low32.2Very low138 Ų138120.3 Ų120.374%0.73862%0.615SS**  trans-72.572.7170.2-7924.7000109.2N1149N1149-N1151 PolarHBondContact ND2-OD1 2.77Å; N1149-N1151 PolarHBondContact O-N 3.5Å
1152K27.3Very low31.4Very low187 Ų187121.6 Ų121.681%0.81363%0.626SS**  trans-95.2111.9168.6-160174.1-174.5-177.10108.7I1150 T1154I1150-K1152 HydrophobicContact CG2-CB 4.29Å; I1150-K1152 PolarHBondContact O-N 2.83Å; K1152-T1154 PolarHBondContact O-N 2.87Å
1153S22.3Very low30.8Very low102 Ų102119.1 Ų119.171%0.71362%0.616SS**  trans-57.5126.2-172.8170.20000114
1154T30.9Very low30Very low132 Ų132123.7 Ų123.781%0.8164%0.641SS**  trans-146114.5153.6510000109.2K1152K1152-T1154 PolarHBondContact O-N 2.87Å
1155N23.5Very low29.1Very low146 Ų146125.2 Ų125.278%0.78165%0.654SS**  trans-75.7144.1176.3-68.3-26.5000111.8
1156T29.9Very low28.7Very low144 Ų144128.1 Ų128.188%0.88367%0.674SS**  trans-164.4130.9142.54.80000111.6
1157T25.6Very low28.4Very low96 Ų96125.4 Ų125.459%0.58967%0.67SS**  trans-76.8163.5-178-24.50000110.7
1158Y28.4Very low28.3Very low201 Ų201127.1 Ų127.179%0.78867%0.674SS**  -169.4138.559.4-80.8-87.5000114.7
1159H28.8Very low28.4Very low143 Ų143121 Ų12166%0.66266%0.655SS**  trans44161.8132-73.9-94.7000125.4
1160T28.8Very low28.4Very low74 Ų74119.9 Ų119.945%0.45465%0.652SS.*  cis-177.1170.5-43.832.30000110.4
1161T28.2Very low28.4Very low80 Ų80116.8 Ų116.849%0.49164%0.64SS.*  trans65140154.1430000118.8N1442 H1443 Y1444T1161-N1442 WeakPolarHBondContact CA-O 3.48Å; T1161-N1442 PolarHBondContact N-O 3.48Å; T1161-H1443 VanDerWaalsContact C-CB 3.48Å; T1161-Y1444 CarbonylContact O-C 3.55Å
1162T29.7Very low28.5Very low86 Ų86116.2 Ų116.253%0.52864%0.637SS.*  cis-166.4174-0.8100.20000109.3H1443T1162-H1443 VanDerWaalsContact N-CB 3.29Å
1163T30.2Very low28.6Very low91 Ų91112.2 Ų112.256%0.55863%0.628SS**  cis-150.4144.8-20.9-17.50000112.5
1164N29.9Very low28.9Very low108 Ų108112.9 Ų112.958%0.57863%0.628SS**  trans36.8156.6138.8-63.6-4.1000130.3
1165N28.7Very low28.8Very low144 Ų144112.8 Ų112.877%0.7762%0.622SS**  trans80.9152.9143.3-71.3-0.6000122.7
1166T30Very low29Very low111 Ų111111.2 Ų111.268%0.68162%0.618SS**  cis-163.5159.6-16.6-93.90000114.1
1167T28.7Very low28.9Very low98 Ų98108.8 Ų108.860%0.60160%0.603SS**  trans-35.6158.2-175.955.60000124.6
1168H29.9Very low28.9Very low151 Ų151110.1 Ų110.170%0.69961%0.607SS**  149.9158.1127.8-78.1-42.3000114.2
1169N29.8Very low28.9Very low71 Ų71107.5 Ų107.538%0.3861%0.607SS.*  cis-161.3155-30.3-11840.7000112.5L1082 T1083L1082-N1169 CarbonylContact O-C 3.52Å; L1082-N1169 WeakPolarHBondContact O-CA 3.49Å; L1082-N1169 VanDerWaalsContact O-CG 3.29Å; L1082-N1169 PolarHBondContact O-OD1 3.33Å; T1083-N1169 CarbonylContact O-C 3.39Å; T1083-N1169 WeakPolarHBondContact O-CA 3.25Å
1170T29.7Very low28.7Very low67 Ų67106.3 Ų106.341%0.41161%0.614SS.*  trans75.2116151.237.90000125L1082 T1083L1082-T1170 HydrophobicContact CB-CG2 3.88Å; L1082-T1170 WeakPolarHBondContact O-CA 3.33Å; L1082-T1170 PolarHBondContact O-N 3.25Å; T1083-T1170 PolarHBondContact O-N 2.93Å; T1083-T1170 VanDerWaalsContact OG1-C 3.27Å; T1083-T1170 VanDerWaalsContact OG1-CA 3.25Å; T1083-T1170 WeakPolarHBondContact OG1-CA 3.45Å; T1083-T1170 PolarHBondContact OG1-N 3.08Å
1171T29.6Very low28.7Very low83 Ų83107.7 Ų107.751%0.50963%0.627SS.*  trans74.6154.4138.2560000120.3L1082 T1083L1082-T1171 HydrophobicContact CD1-CG2 4.04Å; L1082-T1171 HydrophobicContact CD2-CG2 4.08Å; L1082-T1171 HydrophobicContact CG-CG2 4.48Å; T1083-T1171 PolarHBondContact OG1-N 2.8Å
1172N28.9Very low28.6Very low125 Ų125111.9 Ų111.967%0.66864%0.641SS**  cis-155.5168.13-129.2-13.2000115.5
1173T28.8Very low28.5Very low103 Ų103113.6 Ų113.663%0.63265%0.645SS**  trans53.4114.615152.60000124.2
1174T29.2Very low28.3Very low116 Ų116114.8 Ų114.871%0.71264%0.644SS**  63158.8125.278.40000121.1
1175D28.6Very low28.1Very low130 Ų130118.9 Ų118.970%0.69565%0.653SS**  cis-147160.619.7-103.1-58.7000116.5
1176T26.9Very low28Very low113 Ų113115.3 Ų115.369%0.69364%0.639SS**  trans30.5108.5155.362.30000124.4
1177T28.9Very low27.9Very low93 Ų93114.9 Ų114.957%0.57163%0.633SS**  22.2129.2121.759.40000122.4
1178N25.9Very low28Very low124 Ų124113.4 Ų113.466%0.66362%0.621SS**  163.8166.6106.3-91.2-45.9000115.9
1179N27.4Very low28Very low147 Ų147111.4 Ų111.479%0.78661%0.61SS**  trans73.4115.9171.7-52.9-48.4000116.1
1180S24.9Very low28Very low117 Ų117113.1 Ų113.182%0.81863%0.627SS**  72.393.453.3-1660000113.4
1181S28.9Very low28.1Very low103 Ų103111.4 Ų111.472%0.7262%0.623SS**  trans-146.575.9177.350.40000112.5I1183S1181-I1183 WeakPolarHBondContact O-CG1 3.44Å; S1181-I1183 PolarHBondContact O-N 3.46Å
1182H26.2Very low28.3Very low169 Ų169109.5 Ų109.578%0.78262%0.62SS**  trans2.578.9148.3-161.9-48.7000116.5H1184H1182-H1184 PolarHBondContact O-N 3.29Å
1183I28.4Very low28.9Very low122 Ų122106.3 Ų106.363%0.62660%0.603SS**  trans-68109-176.6-59.7-178.9000110.2S1181 Y1185 I1188S1181-I1183 WeakPolarHBondContact O-CG1 3.44Å; S1181-I1183 PolarHBondContact O-N 3.46Å; I1183-Y1185 PolarHBondContact O-N 2.95Å; I1183-Y1185 VanDerWaalsContact O-N 3.14Å; I1183-I1188 HydrophobicContact CG2-CD1 4.19Å; I1183-I1188 HydrophobicContact CG2-CG1 4.5Å
1184H24.9Very low29.4Very low116 Ų116105 Ų10554%0.53759%0.59SS.*  trans-70.9104.2174.1-125.3-103000109.2H1182 S1186 D1187H1182-H1184 PolarHBondContact O-N 3.29Å; H1184-S1186 PolarHBondContact ND1-OG 3.47Å; H1184-S1186 PolarHBondContact O-N 2.89Å; H1184-D1187 PolarHBondContact O-N 3.11Å
1185Y25.3Very low29.9Very low193 Ų193106.9 Ų106.976%0.75759%0.585SS**THydrogen-bonded Turntrans-59.9-11.8-177.1-87.9-93.4000114.7I1183 I1188I1183-Y1185 PolarHBondContact O-N 2.95Å; I1183-Y1185 VanDerWaalsContact O-N 3.14Å; Y1185-I1188 HydrophobicContact CD1-CD1 4.04Å; Y1185-I1188 HydrophobicContact CE1-CD1 4.49Å
1186S27Very low30.3Very low69 Ų69107.8 Ų107.848%0.48358%0.579SS.*THydrogen-bonded Turntrans-65.6-37.116946.30000113.2H1184 I1188H1184-S1186 PolarHBondContact ND1-OG 3.47Å; H1184-S1186 PolarHBondContact O-N 2.89Å; S1186-I1188 PolarHBondContact O-N 2.84Å
1187D27.9Very low31.4Very low102 Ų102103 Ų10355%0.54555%0.549SS..G310 helixtrans-91.5-7.4-159.4-61.28.1000112.3H1184 F1189 S1190H1184-D1187 PolarHBondContact O-N 3.11Å; D1187-F1189 PolarHBondContact O-N 3.43Å; D1187-S1190 PolarHBondContact O-OG 3.05Å; D1187-S1190 VanDerWaalsContact O-OG 3.13Å
1188I31.1Very low32.3Very low68 Ų68104.1 Ų104.135%0.34954%0.542SS..G310 helixtrans-65.4-20.5172.6-59.7172.3000111.2I1183 Y1185 S1186I1183-I1188 HydrophobicContact CG2-CD1 4.19Å; I1183-I1188 HydrophobicContact CG2-CG1 4.5Å; Y1185-I1188 HydrophobicContact CD1-CD1 4.04Å; Y1185-I1188 HydrophobicContact CE1-CD1 4.49Å; S1186-I1188 PolarHBondContact O-N 2.84Å
1189F29Very low33.3Very low109 Ų109102.6 Ų102.648%0.47853%0.531SS..G310 helixtrans-106.7-5.5-170.2-69.3-85.2000115.4D1187D1187-F1189 PolarHBondContact O-N 3.43Å
1190S30.4Very low34.1Very low106 Ų10697 Ų9774%0.74151%0.506SS*.SBendtrans-82.2-17-179.852.30000114D1187D1187-S1190 PolarHBondContact O-OG 3.05Å; D1187-S1190 VanDerWaalsContact O-OG 3.13Å
1191G31.6Very low35.2Very low31 Ų3192.4 Ų92.432%0.3247%0.472SS..SBendtrans-110.1104.7164.200000109.8
1192G34.6Very low36.1Very low44 Ų4493.6 Ų93.645%0.45447%0.466SS..  trans-56.6150.4-166.300000115E1194 Y1195 R1196G1192-E1194 PolarHBondContact O-N 3.11Å; G1192-E1194 VanDerWaalsContact O-N 3.08Å; G1192-Y1195 WeakPolarHBondContact O-CA 3.23Å; G1192-Y1195 VanDerWaalsContact O-CB 3.29Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 3.05Å; G1192-R1196 PolarHBondContact O-N 3.45Å
1193L42.3Very low36.9Very low57 Ų5792.5 Ų92.530%0.29847%0.465SS..Hα-helixtrans-52.1-35.8-176.5-169.770.3000113.4M1141 Y1195 R1196 L1197 L1316M1141-L1193 HydrophobicContact CE-CD1 3.78Å; M1141-L1193 HydrophobicContact CE-CD2 4.41Å; M1141-L1193 HydrophobicContact SD-CD1 4.19Å; L1193-Y1195 VanDerWaalsContact C-N 3.34Å; L1193-Y1195 PolarHBondContact O-N 2.88Å; L1193-R1196 PolarHBondContact O-N 3.28Å; L1193-L1197 HydrophobicContact CG-CD1 4.22Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 PolarHBondContact O-N 3.49Å; L1193-L1316 HydrophobicContact CD2-CB 4.33Å; L1193-L1316 HydrophobicContact CD2-CD2 4.13Å; L1193-L1316 HydrophobicContact CD2-CG 4.16Å
1194E38.8Very low37.5Very low77 Ų7790.3 Ų90.336%0.3645%0.454SS..Hα-helixtrans-63.5-34.9174.6-176.3175.6164.600112.8G1192 R1198G1192-E1194 PolarHBondContact O-N 3.11Å; G1192-E1194 VanDerWaalsContact O-N 3.08Å; E1194-R1198 HydrophobicContact CG-CG 4.49Å; E1194-R1198 WeakPolarHBondContact O-CB 3.3Å; E1194-R1198 WeakPolarHBondContact O-CD 3.34Å; E1194-R1198 WeakPolarHBondContact O-CG 3.19Å; E1194-R1198 PolarHBondContact O-N 2.8Å; E1194-R1198 IonicContact OE1-CZ 3.4Å; E1194-R1198 VanDerWaalsContact OE1-CZ 3.24Å; E1194-R1198 IonicContact OE1-NE 3.45Å; E1194-R1198 PolarHBondContact OE1-NE 3.19Å; E1194-R1198 IonicContact OE1-NH2 2.71Å; E1194-R1198 PolarHBondContact OE1-NH2 2.89Å
1195Y39.2Very low38Very low154 Ų15489.9 Ų89.960%0.60445%0.452SS*.Hα-helixtrans-67.5-48.8176.8-169.7-85.6000110.9G1192 L1193 L1197 R1198 E1199G1192-Y1195 WeakPolarHBondContact O-CA 3.23Å; G1192-Y1195 VanDerWaalsContact O-CB 3.29Å; G1192-Y1195 WeakPolarHBondContact O-CB 3.38Å; G1192-Y1195 PolarHBondContact O-N 3.05Å; L1193-Y1195 VanDerWaalsContact C-N 3.34Å; L1193-Y1195 PolarHBondContact O-N 2.88Å; Y1195-L1197 PolarHBondContact O-N 3.49Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.41Å; Y1195-R1198 PolarHBondContact O-N 3.25Å; Y1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Y1195-E1199 PolarHBondContact O-N 2.99Å
1196R37.3Very low38.2Very low150 Ų15085.3 Ų85.357%0.56645%0.446SS*.Hα-helixtrans-66.2-36.5178.5-76.1179.5169.8-110.1-0.4112.9G1192 L1193 E1199 A1200G1192-R1196 PolarHBondContact O-N 3.45Å; L1193-R1196 PolarHBondContact O-N 3.28Å; R1196-E1199 PolarHBondContact O-N 2.86Å; R1196-A1200 WeakPolarHBondContact O-CB 3.23Å; R1196-A1200 PolarHBondContact O-N 3.49Å
1197L49.9Very low38.4Very low13 Ų1391.7 Ų91.77%0.06847%0.465CS..Hα-helixtrans-63.7-42.4170.6-87.1164.5000111.9I1137 L1193 Y1195 L1201 A1313I1137-L1197 HydrophobicContact CD1-CD2 4.32Å; I1137-L1197 HydrophobicContact CG2-CD2 3.95Å; L1193-L1197 HydrophobicContact CG-CD1 4.22Å; L1193-L1197 WeakPolarHBondContact O-CB 3.28Å; L1193-L1197 PolarHBondContact O-N 3.49Å; Y1195-L1197 PolarHBondContact O-N 3.49Å; L1197-L1201 WeakPolarHBondContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CD1 3.34Å; L1197-L1201 VanDerWaalsContact O-CG 3.27Å; L1197-L1201 WeakPolarHBondContact O-CG 3.37Å; L1197-L1201 PolarHBondContact O-N 3.3Å; L1197-L1201 VanDerWaalsContact O-N 3.11Å; L1197-A1313 HydrophobicContact CD1-CB 3.73Å
1198R47.1Very low38.6Very low115 Ų11593.7 Ų93.743%0.43448%0.476SS..Hα-helixtrans-63.2-44.1174.5-76.3165.2177.6-97.412.4111.8E1194 Y1195 L1201 Q1202E1194-R1198 HydrophobicContact CG-CG 4.49Å; E1194-R1198 WeakPolarHBondContact O-CB 3.3Å; E1194-R1198 WeakPolarHBondContact O-CD 3.34Å; E1194-R1198 WeakPolarHBondContact O-CG 3.19Å; E1194-R1198 PolarHBondContact O-N 2.8Å; E1194-R1198 IonicContact OE1-CZ 3.4Å; E1194-R1198 VanDerWaalsContact OE1-CZ 3.24Å; E1194-R1198 IonicContact OE1-NE 3.45Å; E1194-R1198 PolarHBondContact OE1-NE 3.19Å; E1194-R1198 IonicContact OE1-NH2 2.71Å; E1194-R1198 PolarHBondContact OE1-NH2 2.89Å; Y1195-R1198 WeakPolarHBondContact O-CB 3.41Å; Y1195-R1198 PolarHBondContact O-N 3.25Å; R1198-L1201 CarbonylContact O-C 3.58Å; R1198-L1201 PolarHBondContact O-N 3.11Å; R1198-Q1202 WeakPolarHBondContact O-CB 3.46Å; R1198-Q1202 PolarHBondContact O-N 3.11Å
1199E46.6Very low38.5Very low92 Ų9299.7 Ų99.743%0.4350%0.499SS..Hα-helixtrans-63.9-47.7-179.5-174.2170.3-135.900111.9Y1195 R1196 L1201 Q1202 L1203Y1195-E1199 WeakPolarHBondContact O-CB 3.47Å; Y1195-E1199 PolarHBondContact O-N 2.99Å; R1196-E1199 PolarHBondContact O-N 2.86Å; E1199-L1201 VanDerWaalsContact C-N 3.29Å; E1199-L1201 PolarHBondContact O-N 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CA 3.47Å; E1199-Q1202 VanDerWaalsContact O-CB 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.33Å; E1199-Q1202 PolarHBondContact O-N 3.35Å; E1199-L1203 WeakPolarHBondContact O-CG 3.43Å; E1199-L1203 PolarHBondContact O-N 2.95Å
1200A44.9Very low38.5Very low30 Ų30103.3 Ų103.325%0.24852%0.52CS..Hα-helixtrans-56.8-42.6171.900000111.8I1137 R1196 Q1202 L1203 I1204I1137-A1200 HydrophobicContact CD1-CB 4.08Å; R1196-A1200 WeakPolarHBondContact O-CB 3.23Å; R1196-A1200 PolarHBondContact O-N 3.49Å; A1200-Q1202 VanDerWaalsContact C-N 3.28Å; A1200-Q1202 PolarHBondContact O-N 2.93Å; A1200-L1203 PolarHBondContact O-N 2.97Å; A1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; A1200-I1204 VanDerWaalsContact O-CG1 3.28Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; A1200-I1204 PolarHBondContact O-N 3.18Å; A1200-I1204 VanDerWaalsContact O-N 3.1Å
1201L47.3Very low38.4Very low20 Ų20106.5 Ų106.511%0.10553%0.525CS..Hα-helixtrans-78.8-8.1177-66.5167.3000114.2I1134 L1197 R1198 E1199 I1204 Q1205 L1309I1134-L1201 HydrophobicContact CD1-CD1 4.47Å; I1134-L1201 HydrophobicContact CD1-CD2 4.01Å; L1197-L1201 WeakPolarHBondContact O-CB 3.31Å; L1197-L1201 WeakPolarHBondContact O-CD1 3.34Å; L1197-L1201 VanDerWaalsContact O-CG 3.27Å; L1197-L1201 WeakPolarHBondContact O-CG 3.37Å; L1197-L1201 PolarHBondContact O-N 3.3Å; L1197-L1201 VanDerWaalsContact O-N 3.11Å; R1198-L1201 CarbonylContact O-C 3.58Å; R1198-L1201 PolarHBondContact O-N 3.11Å; E1199-L1201 VanDerWaalsContact C-N 3.29Å; E1199-L1201 PolarHBondContact O-N 3.25Å; L1201-I1204 HydrophobicContact CD2-CD1 4.49Å; L1201-Q1205 PolarHBondContact O-N 3.45Å; L1201-Q1205 PolarHBondContact O-NE2 2.82Å; L1201-L1309 HydrophobicContact CD1-CD1 3.44Å; L1201-L1309 VanDerWaalsContact CD1-CD1 3.44Å; L1201-L1309 HydrophobicContact CD1-CD2 3.54Å; L1201-L1309 HydrophobicContact CD1-CG 4.08Å
1202Q48.8Very low38.4Very low129 Ų129112.8 Ų112.860%0.60355%0.551SS**Hα-helixtrans-83-32.7168.1-140.6101.258.700110.2R1198 E1199 A1200R1198-Q1202 WeakPolarHBondContact O-CB 3.46Å; R1198-Q1202 PolarHBondContact O-N 3.11Å; E1199-Q1202 WeakPolarHBondContact O-CA 3.47Å; E1199-Q1202 VanDerWaalsContact O-CB 3.25Å; E1199-Q1202 WeakPolarHBondContact O-CB 3.33Å; E1199-Q1202 PolarHBondContact O-N 3.35Å; A1200-Q1202 VanDerWaalsContact C-N 3.28Å; A1200-Q1202 PolarHBondContact O-N 2.93Å
1203L42.2Very low38.1Very low146 Ų146117.3 Ų117.376%0.76457%0.565SS**Hα-helixtrans-76.5-25.8174-66.4165.8000113E1199 A1200E1199-L1203 WeakPolarHBondContact O-CG 3.43Å; E1199-L1203 PolarHBondContact O-N 2.95Å; A1200-L1203 PolarHBondContact O-N 2.97Å
1204I41.1Very low37.6Very low76 Ų76122.2 Ų122.239%0.3959%0.591SS.*SBendtrans-91.5-8.2178.8-64.5161.9000112.3A1200 L1201A1200-I1204 WeakPolarHBondContact O-CD1 3.49Å; A1200-I1204 VanDerWaalsContact O-CG1 3.28Å; A1200-I1204 WeakPolarHBondContact O-CG1 3.47Å; A1200-I1204 PolarHBondContact O-N 3.18Å; A1200-I1204 VanDerWaalsContact O-N 3.1Å; L1201-I1204 HydrophobicContact CD2-CD1 4.49Å
1205Q36Very low37.1Very low107 Ų107125.6 Ų125.650%0.561%0.612SS.*SBendtrans-72.9132.5165.4-86.6165.479.900109.6L1201L1201-Q1205 PolarHBondContact O-N 3.45Å; L1201-Q1205 PolarHBondContact O-NE2 2.82Å
1206P28.7Very low36.9Very low97 Ų97127.8 Ų127.863%0.6363%0.627SS**  trans-61.1142.6172.628.7-35.3000109.4N1208P1206-N1208 WeakPolarHBondContact CB-OD1 3.31Å; P1206-N1208 PolarHBondContact O-N 2.71Å
1207K31.1Very low36.5Very low202 Ų202128.3 Ų128.388%0.87864%0.641SS**  trans-75.161.4-179.8-73.7-178177174.10111.5K1209K1207-K1209 PolarHBondContact O-N 2.89Å
1208N31.9Very low35.6Very low144 Ų144136.7 Ų136.777%0.7768%0.68SS**THydrogen-bonded Turntrans-71.770.1173.3-67.621.2000109.5P1206P1206-N1208 WeakPolarHBondContact CB-OD1 3.31Å; P1206-N1208 PolarHBondContact O-N 2.71Å
1209K30.1Very low34.9Very low194 Ų194138.2 Ų138.284%0.84370%0.696SS**THydrogen-bonded Turntrans-152.49.5-178.9-139.6-176.6-179.6-175.40115.3K1207K1207-K1209 PolarHBondContact O-N 2.89Å
1210M28.8Very low34.1Very low185 Ų185138.8 Ų138.891%0.91171%0.708SS**SBendtrans-146.346.4171.2-68.8-165.371.500111
1211M28.5Very low33.4Very low173 Ų173144.9 Ų144.985%0.85274%0.736SS**  trans-155.974169-159.1129.98500109.6
1212N30.5Very low32.7Very low163 Ų163149.6 Ų149.687%0.87277%0.771SS**SBendtrans-147.29.1176.3-126.552.6000111.8
1213D30Very low31.7Very low139 Ų139152.2 Ų152.274%0.74378%0.783SS**SBendtrans-127.6138.2177.6-59-71.4000106.1
1214L30.3Very low31.2Very low160 Ų160152.8 Ų152.884%0.83879%0.786SS**SBendtrans62.485.6-173-66.775.1000114.9
1215D29.7Very low30.9Very low149 Ų149155 Ų15580%0.79780%0.799SS**  168.388.5113.2-88.4-10.6000111
1216H33.3Very low30.7Very low199 Ų199159.7 Ų159.792%0.92182%0.817SS**  trans-141.963.7170.6-105.752.4000110.4H1218H1216-H1218 PolarHBondContact O-N 2.86Å
1217N29.4Very low31Very low162 Ų162158.1 Ų158.187%0.86681%0.809SS**  trans-91.585.6170.4-115-15.7000109.7
1218H31.9Very low31.1Very low189 Ų189158.3 Ų158.388%0.87581%0.806SS**  trans-173.2147.6135.9-101-37.6000115.2H1216H1216-H1218 PolarHBondContact O-N 2.86Å
1219N31.7Very low31.2Very low147 Ų147158.6 Ų158.679%0.78681%0.806SS**  trans59.694.5159-116.513.8000119.4
1220P29.6Very low31.4Very low104 Ų104156.4 Ų156.468%0.67580%0.804SS**  trans-72.6170153.234.4-34.5000111.4
1221N29.6Very low31.8Very low158 Ų158156.6 Ų156.685%0.84580%0.8SS**  trans104.357.9171.1-54.5-15.8000117.9
1222S33.1Very low32.1Very low118 Ų118156.1 Ų156.183%0.82580%0.799SS**  trans-148.695.3143.264.50000110.1
1223E29.1Very low32.2Very low185 Ų185155.7 Ų155.786%0.86480%0.795SS**  trans-72138.9173.6-58.9-177.7103.800110.7
1224L31Very low32.2Very low157 Ų157154.9 Ų154.982%0.82279%0.791SS**  trans-173.7149.2134.3-102.6158.6000112.8
1225N34.4Very low32.3Very low123 Ų123154.5 Ų154.566%0.65880%0.795SS**  trans55.566163.8-71.4-30.4000119.3S1227N1225-S1227 PolarHBondContact O-N 2.85Å
1226K32.3Very low32.2Very low205 Ų205155.8 Ų155.889%0.89179%0.788SS**THydrogen-bonded Turntrans-64.627.6156-65.1173.6177.3166.10114
1227S34.4Very low32.2Very low65 Ų65151.2 Ų151.246%0.45578%0.778SS.*THydrogen-bonded Turntrans-96.7-21.4-166.554.80000115.6N1225N1225-S1227 PolarHBondContact O-N 2.85Å
1228Y32.6Very low32.4Very low206 Ų206154.1 Ų154.181%0.80878%0.777SS**SBendtrans-96.7-12.8-171.5-87.7-87.9000116.2
1229L35.2Very low32.4Very low149 Ų149153.6 Ų153.678%0.7877%0.772SS**G310 helixtrans-83.3-15.1-177.5-85.4161.7000114.9K1231L1229-K1231 PolarHBondContact O-N 3.34Å
1230N34.9Very low32.2Very low149 Ų149153.1 Ų153.180%0.79777%0.77SS**G310 helixtrans-90.518.8-176-76.4-9.9000114.8
1231K36.5Very low32.3Very low189 Ų189156.4 Ų156.482%0.82278%0.781SS**G310 helixtrans-120.41.9-171.4-120.5176.9-176.71780117.2L1229L1229-K1231 PolarHBondContact O-N 3.34Å
1232I33.7Very low32.3Very low163 Ų163155.2 Ų155.284%0.83678%0.775SS**SBendtrans-125.2-3.4-178.4-58.4-177.5000112.6
1233I32.7Very low32.2Very low154 Ų154158 Ų15879%0.7978%0.775SS**SBendtrans-124.347.2-174.4-41.9174000112.7
1234D30.3Very low32.2Very low122 Ų122153.9 Ų153.965%0.65277%0.766SS**  trans-152.785.4156.4-168.913.7000113.7
1235V32.6Very low32.4Very low152 Ų152155.5 Ų155.592%0.92177%0.766SS**  trans-140.956.4160.4-164.80000109.8
1236R28.9Very low32.4Very low176 Ų176159.1 Ų159.166%0.66478%0.777SS**SBendtrans-148.742.5176-148179.7-178.6-173.1-3.4116.7S3S3-R1236 PolarHBondContact O-NH2 2.85Å
1237S31.5Very low32.4Very low102 Ų102154.8 Ų154.871%0.71377%0.769SS**  trans-161.6165.1160.1-89.60000112.3
1238R34.4Very low32.6Very low224 Ų224156.4 Ų156.485%0.84578%0.778SS**  trans66.3113.1-168.9-42.7177.3-128.3-150.43.1111.4
1239K31.4Very low32.6Very low177 Ų177153 Ų15377%0.7778%0.779SS**  cis67.510010.8-154.5-164.8179.5-151.70115.9
1240N27.3Very low32.5Very low137 Ų137151.5 Ų151.573%0.73377%0.772SS**  trans44.8110.6152.5-53.731.8000119
1241L33.3Very low32.4Very low173 Ų173152.9 Ų152.991%0.90677%0.771SS**  -156.4174.4125.5-13269.3000110.2
1242N29.3Very low32.1Very low134 Ų134147.9 Ų147.972%0.71777%0.765SS**  trans-102.5-176.5-162.4-60.6-19.6000114.3
1243E29.7Very low32Very low176 Ų176148.2 Ų148.282%0.82276%0.76SS**  trans78.6141.9152.1-77.7151.1-129.100118.4
1244S29.4Very low31.9Very low98 Ų98148.4 Ų148.469%0.68576%0.758SS**  cis-159.1180-2.754.40000113
1245K36Very low32Very low191 Ų191147.7 Ų147.783%0.8376%0.762SS**  trans95.475.1165.7-56.9-179-177.4179.10119.2
1246K34.4Very low32.1Very low200 Ų200146.4 Ų146.487%0.8776%0.757SS**  36.6157.7106.8-92.9-172174.3-179.50120
1247P32.4Very low32.2Very low113 Ų113145.6 Ų145.673%0.73476%0.759SS**  cis-130.9-151.817.650.6-33.4000112.9
1248P37.9Very low32.1Very low99 Ų99147.4 Ų147.464%0.64376%0.756SS**  -135.4177.2-123.636.1-11.4000117.5
1249T33.5Very low31.8Very low134 Ų134144.2 Ų144.282%0.82276%0.755SS**  trans153.4155.2136.441.50000111.7
1250N31.8Very low31.7Very low118 Ų118139.1 Ų139.163%0.63175%0.753SS**  cis-159.6157.2-49.2-138.56.5000110.4
1251F33Very low31.9Very low179 Ų179144.4 Ų144.479%0.78576%0.763SS**  trans66.1128.9176.8-49.2-67.3000115.3
1252A30.6Very low31.8Very low84 Ų84145.6 Ų145.669%0.69476%0.764SS**  cis80.7142.444.400000112.5
1253K31.1Very low31.9Very low170 Ų170144.8 Ų144.874%0.73977%0.769SS**  cis-160.2178.512.9-145.2161.9161.9-119.60111.2
1254E31.5Very low31.8Very low157 Ų157139.5 Ų139.573%0.73476%0.762SS**  trans66.3137.7157.4-83.9127.1-131.800121.8
1255S31.7Very low31.9Very low107 Ų107142.7 Ų142.775%0.74877%0.769SS**  trans-128.1152.116356.30000107.7
1256P34.6Very low31.6Very low126 Ų126139.7 Ų139.782%0.81876%0.762SS**  trans-135.5-173.7139.437.8-25.2000114.1
1257K30.8Very low31.2Very low159 Ų159136 Ų13669%0.69176%0.759SS**  trans-95177.3-158.9-53.2141.584.2-123.50112.9
1258E29.4Very low31Very low139 Ų139137.9 Ų137.965%0.6576%0.763SS**  trans95.6144.5137.6-106.6114.3-113.300120.5
1259D28.8Very low30.6Very low157 Ų157138.8 Ų138.884%0.8477%0.766SS**  trans51.7119157.8-63.6-2.7000123
1260G29.3Very low30.4Very low71 Ų71140.7 Ų140.773%0.73277%0.771SS**  140.4112.8111.700000118.8
1261R31.4Very low30.2Very low248 Ų248142.4 Ų142.494%0.93678%0.78SS**  trans60.186143.8-60.7179.5-177.8164.92.5118.6
1262E30.8Very low30Very low198 Ų198140.4 Ų140.493%0.92577%0.773SS**  1.4123.8128.1-176.1170.8-132.200118.2
1263S31.4Very low29.9Very low116 Ų116142.6 Ų142.681%0.81178%0.778SS**  trans-158.5142.5150.5-1750000107.7
1264G28.4Very low29.7Very low66 Ų66139.2 Ų139.268%0.6878%0.776SS**  cis139.955.72.800000111.9
1265I30.5Very low29.4Very low164 Ų164138 Ų13884%0.84178%0.779SS**  trans-133.9144.8-176-56.7-176.1000110.4
1266D29.3Very low29.1Very low128 Ų128137.3 Ų137.368%0.68477%0.774SS**  trans-67.5155.6-168.5-91.1-56.5000116.7
1267P26.2Very low28.9Very low122 Ų122137.8 Ų137.879%0.79277%0.768SS**SBendtrans-94.226.9172.140.3-35.9000114
1268D29.4Very low28.9Very low154 Ų154137.4 Ų137.482%0.82477%0.771SS**  trans-103.85.5-177.1-102.4-7.7000114.3
1269T29.2Very low28.8Very low117 Ų117133.6 Ų133.672%0.71877%0.77SS**  trans-125.1105174.837.40000112.4
1270L29.7Very low28.8Very low174 Ų174134.3 Ų134.391%0.91177%0.774SS**  trans-174.7101.1146.8-106163.5000110.1
1271D27.4Very low28.6Very low154 Ų154136.6 Ų136.682%0.82478%0.778SS**  trans-81.4178.1168.4-106.5-41.1000111.7T1273D1271-T1273 PolarHBondContact O-N 3.22Å
1272E28.9Very low28.6Very low137 Ų137132.3 Ų132.364%0.6477%0.773SS**  trans-43.1115.9-170.9-52.9-175145.400116.8
1273T29Very low28.5Very low130 Ų130125.8 Ų125.880%0.79875%0.749SS**  trans-163.3132.2135.45.20000115D1271D1271-T1273 PolarHBondContact O-N 3.22Å
1274S25Very low28.7Very low99 Ų99128.5 Ų128.569%0.69275%0.754SS**  trans43.5143.6138.9-61.40000124.9
1275T26.2Very low29Very low131 Ų131131.4 Ų131.480%0.80475%0.754SS**  trans72.1108.5143.241.50000122.6
1276S25.3Very low29Very low93 Ų93128.7 Ų128.765%0.6574%0.741SS**  59.1107119-178.90000121.5
1277M30.5Very low29.3Very low137 Ų137128.1 Ų128.168%0.67574%0.736SS**  -147.9129.6117.4-82-144.8-109.900108.2P901P901-M1277 HydrophobicContact CG-CE 3.82Å
1278I31.1Very low29.4Very low150 Ų150131.4 Ų131.477%0.76974%0.737SS**  70.9123.265.7-62168.1000111.7
1279G27.6Very low29.4Very low60 Ų60128.9 Ų128.962%0.61973%0.731SS**  cis171.8-175-9.200000115.9
1280N28.5Very low29.3Very low172 Ų172128.7 Ų128.792%0.9273%0.73SS**  trans-157.1113.3136.4-106.5-59.4000107.2L1282N1280-L1282 PolarHBondContact O-N 2.86Å
1281S24.5Very low29.3Very low119 Ų119127.3 Ų127.383%0.83273%0.728SS**  trans-75.3114.3-167.730.60000112.2
1282L30.8Very low29.4Very low158 Ų158125.6 Ų125.683%0.82772%0.719SS**  trans-130.4131147.1-76.2177.5000107.3N1280N1280-L1282 PolarHBondContact O-N 2.86Å
1283S28.8Very low29.4Very low60 Ų60126 Ų12642%0.4273%0.726SS.*  trans-57.3140.2-170.11440000112N1285 D1286S1283-N1285 PolarHBondContact O-N 3.07Å; S1283-N1285 WeakPolarHBondContact OG-CB 3.44Å; S1283-N1285 PolarHBondContact OG-N 2.93Å; S1283-D1286 WeakPolarHBondContact CB-OD1 3.23Å; S1283-D1286 PolarHBondContact OG-OD1 3.14Å
1284L37.3Very low29.5Very low173 Ų173128.2 Ų128.291%0.90673%0.731SS**THydrogen-bonded Turntrans-75.5-8.2171.3-117.576.7000112.6
1285N33.8Very low29.6Very low127 Ų127128.4 Ų128.468%0.67973%0.732SS**THydrogen-bonded Turntrans-92.9-6.3-173.5-59.6-21.6000113.3S1283 M1287 K1288S1283-N1285 PolarHBondContact O-N 3.07Å; S1283-N1285 WeakPolarHBondContact OG-CB 3.44Å; S1283-N1285 PolarHBondContact OG-N 2.93Å; N1285-M1287 PolarHBondContact O-N 3.08Å; N1285-K1288 PolarHBondContact O-N 3.35Å; N1285-K1288 VanDerWaalsContact O-N 3.12Å
1286D30.5Very low29.7Very low108 Ų108129.8 Ų129.858%0.57874%0.735SS**THydrogen-bonded Turntrans-7433.6-175.3-54.6-4.7000112.8S1283S1283-D1286 WeakPolarHBondContact CB-OD1 3.23Å; S1283-D1286 PolarHBondContact OG-OD1 3.14Å
1287M34.7Very low29.8Very low116 Ų116131.5 Ų131.557%0.57174%0.741SS**THydrogen-bonded Turntrans-148.225.2171.5-148174.4-65.800112.3N1285 C1289N1285-M1287 PolarHBondContact O-N 3.08Å; M1287-C1289 PolarHBondContact O-N 3.35Å
1288K28.7Very low29.8Very low191 Ų191130.7 Ų130.783%0.8375%0.745SS**  trans-68.569.4148.3-90.2-167.3172.7-172.70109N1285 T1290N1285-K1288 PolarHBondContact O-N 3.35Å; N1285-K1288 VanDerWaalsContact O-N 3.12Å; K1288-T1290 VanDerWaalsContact C-N 3.27Å; K1288-T1290 PolarHBondContact O-N 3.02Å; K1288-T1290 VanDerWaalsContact O-N 3.13Å
1289C29Very low29.9Very low101 Ų101133 Ų13368%0.68275%0.752SS**  trans-77.488.3158.7-65.30000106.6M1287 T1291M1287-C1289 PolarHBondContact O-N 3.35Å; C1289-T1291 PolarHBondContact O-N 3.48Å; C1289-T1291 PolarHBondContact O-OG1 2.8Å
1290T27Very low30.2Very low113 Ų113133.5 Ų133.569%0.69375%0.751SS**  trans-50.9121.4165.638.20000108K1288 N1292K1288-T1290 VanDerWaalsContact C-N 3.27Å; K1288-T1290 PolarHBondContact O-N 3.02Å; K1288-T1290 VanDerWaalsContact O-N 3.13Å; T1290-N1292 PolarHBondContact O-N 2.71Å
1291T30.9Very low31.1Very low144 Ų144133 Ų13388%0.88375%0.748SS**  trans-85.952.9-174.7-43.30000110.1C1289C1289-T1291 PolarHBondContact O-N 3.48Å; C1289-T1291 PolarHBondContact O-OG1 2.8Å
1292N29.3Very low32.6Very low119 Ų119136.3 Ų136.364%0.63675%0.747SS**  trans-120.6140.3-179.8-81.762.5000108.9T1290T1290-N1292 PolarHBondContact O-N 2.71Å
1293D29.4Very low34.1Very low146 Ų146131.3 Ų131.378%0.78172%0.724SS**  trans71117.2157-45.6-32.4000118.5
1294I30.2Very low36.3Very low175 Ų175131.5 Ų131.590%0.89773%0.725SS**  trans-94.3114.5175.9-62.4163.7000107.5
1295S27.8Very low37.7Very low104 Ų104125.4 Ų125.473%0.72770%0.695SS**  trans-169.1144.4147.637.70000113.9T1297S1295-T1297 PolarHBondContact O-N 2.83Å
1296N27.7Very low39.4Very low160 Ų160124 Ų12486%0.85669%0.687SS**  trans-28.2111.5172.7-53.9-30.9000117
1297T28Very low41.4Very low128 Ų128121 Ų12179%0.78567%0.672SS**  trans-165.4133.5139.98.30000113.8S1295S1295-T1297 PolarHBondContact O-N 2.83Å
1298T30.1Very low43.1Very low121 Ų121115.7 Ų115.774%0.74265%0.646SS**  trans33.291.1154.252.90000119.7A1300T1298-A1300 PolarHBondContact O-N 3.43Å
1299E32.7Very low45.1Very low197 Ų197108 Ų10892%0.92161%0.614SS**  trans18.615.1132.6-139.9171.3-157.600124.1
1300A34.1Very low47.2Very low72 Ų72107.6 Ų107.660%0.59560%0.598SS**  trans-96.4154.9177.400000112.3T1298T1298-A1300 PolarHBondContact O-N 3.43Å
1301N48.5Very low49.4Very low161 Ų161106.3 Ų106.386%0.86158%0.581SS**  trans76.411.5171.1-55-35.5000119.7P1303N1301-P1303 WeakPolarHBondContact O-CD 3.42Å
1302K55Low51.4Low189 Ų18999.6 Ų99.682%0.82254%0.539SS*.PPolyproline II helixtrans-61.9121.4159.6-77.6179.6-179.3169.50109.2S1304K1302-S1304 PolarHBondContact O-N 3.01Å
1303P62.5Low53.4Low52 Ų5294.4 Ų94.434%0.33851%0.513SS..PPolyproline II helixtrans-66.5133.1-176.926.4-33.4000110.1N1301 T1307 I1308N1301-P1303 WeakPolarHBondContact O-CD 3.42Å; P1303-T1307 HydrophobicContact CB-CG2 4.39Å; P1303-I1308 HydrophobicContact CB-CG1 4.33Å; P1303-I1308 HydrophobicContact CG-CD1 4.26Å; P1303-I1308 HydrophobicContact CG-CG1 4.08Å; P1303-I1308 VanDerWaalsContact O-CD1 3.25Å; P1303-I1308 WeakPolarHBondContact O-CD1 3.49Å
1304S74.8Confident55.4Low64 Ų6495.3 Ų95.345%0.44851%0.506SS..PPolyproline II helixtrans-58.1149-176.176.80000112.2K1302 I1306 T1307 I1308K1302-S1304 PolarHBondContact O-N 3.01Å; S1304-I1306 PolarHBondContact O-N 2.92Å; S1304-I1306 VanDerWaalsContact O-N 3.1Å; S1304-T1307 WeakPolarHBondContact O-CA 3.5Å; S1304-T1307 VanDerWaalsContact O-CB 3.31Å; S1304-T1307 WeakPolarHBondContact O-CB 3.33Å; S1304-T1307 PolarHBondContact O-N 3.1Å; S1304-T1307 PolarHBondContact OG-N 2.93Å; S1304-T1307 PolarHBondContact OG-OG1 2.87Å; S1304-I1308 PolarHBondContact O-N 3.25Å
1305V68.2Low57.2Low46 Ų4689.4 Ų89.428%0.27947%0.472SS..Hα-helixtrans-52.9-36.6178.7178.80000111.3L1126 K1130 T1307 I1308 L1309L1126-V1305 HydrophobicContact CD2-CG1 4.03Å; K1130-V1305 HydrophobicContact CD-CG1 4.43Å; V1305-T1307 PolarHBondContact O-N 3.34Å; V1305-I1308 PolarHBondContact O-N 3.12Å; V1305-L1309 HydrophobicContact CG1-CD1 3.74Å; V1305-L1309 HydrophobicContact CG1-CG 4.24Å; V1305-L1309 WeakPolarHBondContact O-CB 3.3Å; V1305-L1309 WeakPolarHBondContact O-CD1 3.4Å; V1305-L1309 WeakPolarHBondContact O-CG 3.37Å; V1305-L1309 PolarHBondContact O-N 3.43Å
1306I69.2Low59.2Low97 Ų9784.5 Ų84.550%0.49744%0.438SS..Hα-helixtrans-63.2-38.6174.8-60.6172.5000111.9S1304 R1310S1304-I1306 PolarHBondContact O-N 2.92Å; S1304-I1306 VanDerWaalsContact O-N 3.1Å; I1306-R1310 VanDerWaalsContact O-CB 3.29Å; I1306-R1310 WeakPolarHBondContact O-CB 3.42Å; I1306-R1310 PolarHBondContact O-N 3.41Å
1307T72.2Confident61.2Low44 Ų4479.2 Ų79.227%0.2742%0.416SS..Hα-helixtrans-69.2-42.4175.4-64.30000111.6P1303 S1304 V1305 R1310 R1311P1303-T1307 HydrophobicContact CB-CG2 4.39Å; S1304-T1307 WeakPolarHBondContact O-CA 3.5Å; S1304-T1307 VanDerWaalsContact O-CB 3.31Å; S1304-T1307 WeakPolarHBondContact O-CB 3.33Å; S1304-T1307 PolarHBondContact O-N 3.1Å; S1304-T1307 PolarHBondContact OG-N 2.93Å; S1304-T1307 PolarHBondContact OG-OG1 2.87Å; V1305-T1307 PolarHBondContact O-N 3.34Å; T1307-R1310 PolarHBondContact O-N 2.87Å; T1307-R1311 WeakPolarHBondContact O-CG 3.45Å; T1307-R1311 PolarHBondContact O-N 3.29Å
1308I70.5Confident63.2Low5 Ų577 Ų773%0.02640%0.399CS..Hα-helixtrans-61.5-48.5175.9-62.7160.4000110.1L1122 Q1125 L1126 P1303 S1304 V1305 R1310 R1311 L1312L1122-I1308 HydrophobicContact CD2-CG2 4.24Å; L1122-I1308 WeakPolarHBondContact O-CG2 3.33Å; Q1125-I1308 HydrophobicContact CB-CD1 3.9Å; Q1125-I1308 HydrophobicContact CB-CG1 4.3Å; Q1125-I1308 HydrophobicContact CB-CG2 4.22Å; Q1125-I1308 WeakPolarHBondContact O-CD1 3.3Å; L1126-I1308 HydrophobicContact CD2-CB 4.18Å; L1126-I1308 HydrophobicContact CD2-CG2 3.67Å; L1126-I1308 HydrophobicContact CG-CG2 4.01Å; P1303-I1308 HydrophobicContact CB-CG1 4.33Å; P1303-I1308 HydrophobicContact CG-CD1 4.26Å; P1303-I1308 HydrophobicContact CG-CG1 4.08Å; P1303-I1308 VanDerWaalsContact O-CD1 3.25Å; P1303-I1308 WeakPolarHBondContact O-CD1 3.49Å; S1304-I1308 PolarHBondContact O-N 3.25Å; V1305-I1308 PolarHBondContact O-N 3.12Å; I1308-R1310 PolarHBondContact O-N 3.05Å; I1308-R1311 CarbonylContact O-C 3.47Å; I1308-R1311 WeakPolarHBondContact O-CA 3.48Å; I1308-R1311 WeakPolarHBondContact O-CB 3.33Å; I1308-R1311 PolarHBondContact O-N 2.84Å; I1308-R1311 VanDerWaalsContact O-N 3.13Å; I1308-L1312 WeakPolarHBondContact O-CB 3.33Å; I1308-L1312 PolarHBondContact O-N 3.38Å
1309L70.4Confident64.9Low30 Ų3071.7 Ų71.716%0.15737%0.366CS..Hα-helixtrans-62.8-38.7177.3-68.9164.9000113L1126 I1134 L1201 V1305 R1311 L1312 A1313L1126-L1309 HydrophobicContact CD1-CD2 4.48Å; L1126-L1309 HydrophobicContact CD2-CD2 4.27Å; L1126-L1309 HydrophobicContact CD2-CG 4.33Å; I1134-L1309 HydrophobicContact CD1-CD2 4.06Å; I1134-L1309 HydrophobicContact CG1-CD2 4.38Å; L1201-L1309 HydrophobicContact CD1-CD1 3.44Å; L1201-L1309 VanDerWaalsContact CD1-CD1 3.44Å; L1201-L1309 HydrophobicContact CD1-CD2 3.54Å; L1201-L1309 HydrophobicContact CD1-CG 4.08Å; V1305-L1309 HydrophobicContact CG1-CD1 3.74Å; V1305-L1309 HydrophobicContact CG1-CG 4.24Å; V1305-L1309 WeakPolarHBondContact O-CB 3.3Å; V1305-L1309 WeakPolarHBondContact O-CD1 3.4Å; V1305-L1309 WeakPolarHBondContact O-CG 3.37Å; V1305-L1309 PolarHBondContact O-N 3.43Å; L1309-R1311 VanDerWaalsContact C-N 3.33Å; L1309-L1312 PolarHBondContact O-N 2.99Å; L1309-A1313 WeakPolarHBondContact O-CB 3.27Å; L1309-A1313 PolarHBondContact O-N 3.1Å
1310R72.4Confident66.5Low93 Ų9364.7 Ų64.735%0.35133%0.334SS..Hα-helixtrans-66.7-34.4174.4-168.5-173.8-61.2139.26.3111.8I1306 T1307 I1308 R1314I1306-R1310 VanDerWaalsContact O-CB 3.29Å; I1306-R1310 WeakPolarHBondContact O-CB 3.42Å; I1306-R1310 PolarHBondContact O-N 3.41Å; T1307-R1310 PolarHBondContact O-N 2.87Å; I1308-R1310 PolarHBondContact O-N 3.05Å; R1310-R1314 WeakPolarHBondContact O-CD 3.36Å; R1310-R1314 VanDerWaalsContact O-CG 3.25Å; R1310-R1314 WeakPolarHBondContact O-CG 3.41Å; R1310-R1314 PolarHBondContact O-N 2.91Å
1311R74.7Confident68.1Low85 Ų8564 Ų6432%0.32133%0.328SS..Hα-helixtrans-66.2-49.3170.6-72169.5172.6-178.8-3.5110.2L1122 T1307 I1308 L1309 A1313 R1314 Y1315L1122-R1311 HydrophobicContact CD1-CB 3.85Å; L1122-R1311 HydrophobicContact CD2-CB 3.82Å; T1307-R1311 WeakPolarHBondContact O-CG 3.45Å; T1307-R1311 PolarHBondContact O-N 3.29Å; I1308-R1311 CarbonylContact O-C 3.47Å; I1308-R1311 WeakPolarHBondContact O-CA 3.48Å; I1308-R1311 WeakPolarHBondContact O-CB 3.33Å; I1308-R1311 PolarHBondContact O-N 2.84Å; I1308-R1311 VanDerWaalsContact O-N 3.13Å; L1309-R1311 VanDerWaalsContact C-N 3.33Å; R1311-A1313 PolarHBondContact O-N 3.09Å; R1311-R1314 PolarHBondContact O-N 2.93Å; R1311-Y1315 HydrophobicContact CB-CE2 4.47Å; R1311-Y1315 WeakPolarHBondContact O-CD2 3.3Å; R1311-Y1315 PolarHBondContact O-N 3.29Å; R1311-Y1315 VanDerWaalsContact O-N 3.09Å
1312L72Confident69Low3 Ų357.8 Ų57.82%0.01630%0.295CS..Hα-helixtrans-55-51.5178.1-167.580.2000111.6L1119 L1122 I1123 I1134 I1308 L1309 R1314 Y1315 L1316L1119-L1312 HydrophobicContact CD2-CD1 3.77Å; L1119-L1312 HydrophobicContact CD2-CG 4.41Å; L1122-L1312 HydrophobicContact CB-CD1 3.99Å; I1123-L1312 HydrophobicContact CD1-CD1 4.49Å; I1123-L1312 HydrophobicContact CG1-CD1 3.91Å; I1134-L1312 HydrophobicContact CG1-CD2 3.95Å; I1134-L1312 HydrophobicContact CG2-CD2 4.02Å; I1308-L1312 WeakPolarHBondContact O-CB 3.33Å; I1308-L1312 PolarHBondContact O-N 3.38Å; L1309-L1312 PolarHBondContact O-N 2.99Å; L1312-R1314 VanDerWaalsContact C-N 3.3Å; L1312-R1314 PolarHBondContact O-N 3.11Å; L1312-Y1315 PolarHBondContact O-N 2.91Å; L1312-L1316 VanDerWaalsContact O-CB 3.3Å; L1312-L1316 WeakPolarHBondContact O-CB 3.31Å; L1312-L1316 PolarHBondContact O-N 2.67Å
1313A71.2Confident69.5Low10 Ų1053.6 Ų53.68%0.08328%0.277CS..Hα-helixtrans-59-37.1178.800000113.1L1197 L1309 R1311 A1317L1197-A1313 HydrophobicContact CD1-CB 3.73Å; L1309-A1313 WeakPolarHBondContact O-CB 3.27Å; L1309-A1313 PolarHBondContact O-N 3.1Å; R1311-A1313 PolarHBondContact O-N 3.09Å; A1313-A1317 WeakPolarHBondContact O-CB 3.4Å; A1313-A1317 PolarHBondContact O-N 2.97Å
1314R71.2Confident69.6Low166 Ų16657.5 Ų57.563%0.62629%0.285SS*.Hα-helixtrans-67.9-45.4176.2-74.8171.7177.4-165.1-2.6112.1R1310 R1311 L1312 L1316 A1317 L1318R1310-R1314 WeakPolarHBondContact O-CD 3.36Å; R1310-R1314 VanDerWaalsContact O-CG 3.25Å; R1310-R1314 WeakPolarHBondContact O-CG 3.41Å; R1310-R1314 PolarHBondContact O-N 2.91Å; R1311-R1314 PolarHBondContact O-N 2.93Å; L1312-R1314 VanDerWaalsContact C-N 3.3Å; L1312-R1314 PolarHBondContact O-N 3.11Å; R1314-L1316 VanDerWaalsContact C-N 3.35Å; R1314-A1317 PolarHBondContact O-N 3.17Å; R1314-L1318 WeakPolarHBondContact O-CG 3.45Å; R1314-L1318 PolarHBondContact O-N 2.86Å
1315Y68.9Low69.4Low50 Ų5060.4 Ų60.420%0.19629%0.291CS..Hα-helixtrans-68.1-35.6176.6-69.8-64.8000112.5Y1115 K1118 L1122 R1311 L1312 L1318 R1319Y1115-Y1315 AromaticContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CD1 3.79Å; Y1115-Y1315 HydrophobicContact CD1-CE1 4.34Å; Y1115-Y1315 HydrophobicContact CE1-CD1 4.05Å; Y1115-Y1315 HydrophobicContact CE1-CE1 4.32Å; K1118-Y1315 HydrophobicContact CD-CD1 4.45Å; K1118-Y1315 HydrophobicContact CD-CE1 3.77Å; K1118-Y1315 HydrophobicContact CD-CE2 4.23Å; K1118-Y1315 WeakPolarHBondContact CE-OH 3.45Å; K1118-Y1315 HydrophobicContact CG-CE2 4.35Å; K1118-Y1315 PolarHBondContact NZ-OH 3.08Å; L1122-Y1315 HydrophobicContact CD1-CD2 3.46Å; L1122-Y1315 VanDerWaalsContact CD1-CD2 3.46Å; L1122-Y1315 HydrophobicContact CD1-CE2 3.8Å; R1311-Y1315 HydrophobicContact CB-CE2 4.47Å; R1311-Y1315 WeakPolarHBondContact O-CD2 3.3Å; R1311-Y1315 PolarHBondContact O-N 3.29Å; R1311-Y1315 VanDerWaalsContact O-N 3.09Å; L1312-Y1315 PolarHBondContact O-N 2.91Å; Y1315-L1318 HydrophobicContact CD1-CD1 4.15Å; Y1315-L1318 HydrophobicContact CE1-CD1 4.45Å; Y1315-L1318 PolarHBondContact O-N 3.16Å; Y1315-R1319 WeakPolarHBondContact O-CB 3.33Å; Y1315-R1319 PolarHBondContact O-N 3.41Å
1316L68.7Low69.1Low1 Ų159.5 Ų59.51%0.00529%0.287CS..Hα-helixtrans-63.4-43.1174.3-166.357.4000111.5L1138 M1141 V1143 L1193 L1312 R1314 R1319 I1320L1138-L1316 HydrophobicContact CD2-CD1 3.76Å; L1138-L1316 HydrophobicContact CD2-CD2 3.97Å; M1141-L1316 HydrophobicContact CE-CD1 4.27Å; M1141-L1316 HydrophobicContact CE-CD2 3.7Å; M1141-L1316 HydrophobicContact CE-CG 3.89Å; M1141-L1316 HydrophobicContact SD-CD2 3.92Å; V1143-L1316 HydrophobicContact CG2-CD1 3.9Å; L1193-L1316 HydrophobicContact CD2-CB 4.33Å; L1193-L1316 HydrophobicContact CD2-CD2 4.13Å; L1193-L1316 HydrophobicContact CD2-CG 4.16Å; L1312-L1316 VanDerWaalsContact O-CB 3.3Å; L1312-L1316 WeakPolarHBondContact O-CB 3.31Å; L1312-L1316 PolarHBondContact O-N 2.67Å; R1314-L1316 VanDerWaalsContact C-N 3.35Å; L1316-R1319 PolarHBondContact O-N 3.08Å; L1316-I1320 HydrophobicContact CG-CD1 4.42Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.49Å; L1316-I1320 VanDerWaalsContact O-CG1 3.28Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.41Å; L1316-I1320 PolarHBondContact O-N 3.45Å
1317A69.9Low69Low49 Ų4959.6 Ų59.641%0.40529%0.288SS..Hα-helixtrans-64.1-41.7173.700000113A1313 R1314 I1320 A1321A1313-A1317 WeakPolarHBondContact O-CB 3.4Å; A1313-A1317 PolarHBondContact O-N 2.97Å; R1314-A1317 PolarHBondContact O-N 3.17Å; A1317-I1320 PolarHBondContact O-N 2.8Å; A1317-A1321 WeakPolarHBondContact O-CB 3.46Å; A1317-A1321 PolarHBondContact O-N 3.1Å
1318L70.7Confident68.7Low81 Ų8159.9 Ų59.942%0.42429%0.294SS..Hα-helixtrans-61.9-43.5174.9-73.5168.4000112Y1115 R1314 Y1315 I1320 A1321 N1322Y1115-L1318 HydrophobicContact CE1-CD1 4.29Å; R1314-L1318 WeakPolarHBondContact O-CG 3.45Å; R1314-L1318 PolarHBondContact O-N 2.86Å; Y1315-L1318 HydrophobicContact CD1-CD1 4.15Å; Y1315-L1318 HydrophobicContact CE1-CD1 4.45Å; Y1315-L1318 PolarHBondContact O-N 3.16Å; L1318-I1320 PolarHBondContact O-N 3.37Å; L1318-A1321 WeakPolarHBondContact O-CB 3.48Å; L1318-A1321 PolarHBondContact O-N 3.22Å; L1318-N1322 PolarHBondContact O-N 2.97Å
1319R64.5Low68.5Low11 Ų1161.9 Ų61.94%0.04231%0.307CS..Hα-helixtrans-62.6-40.5176.5-165.7179.9-167.6-109.115.9112D1116 Y1315 L1316 N1322 K1323D1116-R1319 VanDerWaalsContact CG-NH2 3.28Å; D1116-R1319 IonicContact OD1-CZ 3.4Å; D1116-R1319 IonicContact OD1-NE 3.44Å; D1116-R1319 PolarHBondContact OD1-NE 3.24Å; D1116-R1319 IonicContact OD1-NH2 3.08Å; D1116-R1319 PolarHBondContact OD1-NH2 3.33Å; D1116-R1319 IonicContact OD2-NH2 2.57Å; D1116-R1319 PolarHBondContact OD2-NH2 2.98Å; Y1315-R1319 WeakPolarHBondContact O-CB 3.33Å; Y1315-R1319 PolarHBondContact O-N 3.41Å; L1316-R1319 PolarHBondContact O-N 3.08Å; R1319-N1322 PolarHBondContact O-N 3.41Å; R1319-K1323 PolarHBondContact O-N 2.89Å
1320I67.3Low67.9Low49 Ų4961.7 Ų61.725%0.25131%0.31SS..Hα-helixtrans-66.3-38.7174.5-68.3163.8000111.2M1141 L1316 A1317 L1318 R1324M1141-I1320 HydrophobicContact CE-CD1 3.71Å; L1316-I1320 HydrophobicContact CG-CD1 4.42Å; L1316-I1320 WeakPolarHBondContact O-CD1 3.49Å; L1316-I1320 VanDerWaalsContact O-CG1 3.28Å; L1316-I1320 WeakPolarHBondContact O-CG1 3.41Å; L1316-I1320 PolarHBondContact O-N 3.45Å; A1317-I1320 PolarHBondContact O-N 2.8Å; L1318-I1320 PolarHBondContact O-N 3.37Å; I1320-R1324 WeakPolarHBondContact O-CB 3.25Å; I1320-R1324 WeakPolarHBondContact O-CG 3.46Å; I1320-R1324 PolarHBondContact O-N 2.97Å
1321A67.6Low67.5Low57 Ų5761.9 Ų61.947%0.47132%0.318SS..Hα-helixtrans-65-43.2174.900000112.1A1317 L1318 R1324 H1325A1317-A1321 WeakPolarHBondContact O-CB 3.46Å; A1317-A1321 PolarHBondContact O-N 3.1Å; L1318-A1321 WeakPolarHBondContact O-CB 3.48Å; L1318-A1321 PolarHBondContact O-N 3.22Å; A1321-R1324 PolarHBondContact O-N 3.49Å; A1321-H1325 PolarHBondContact O-N 3.47Å
1322N66.8Low67.2Low31 Ų3163.6 Ų63.617%0.16633%0.329CS..Hα-helixtrans-59.4-53175.5-161.869.7000111E1112 L1318 R1319 R1324 H1325 S1326E1112-N1322 WeakPolarHBondContact CG-ND2 3.48Å; E1112-N1322 PolarHBondContact OE1-ND2 2.81Å; L1318-N1322 PolarHBondContact O-N 2.97Å; R1319-N1322 PolarHBondContact O-N 3.41Å; N1322-R1324 VanDerWaalsContact C-N 3.28Å; N1322-R1324 PolarHBondContact O-N 3.48Å; N1322-H1325 WeakPolarHBondContact O-CB 3.29Å; N1322-H1325 PolarHBondContact O-N 3.14Å; N1322-S1326 PolarHBondContact O-N 3.08Å; N1322-S1326 PolarHBondContact O-OG 2.8Å
1323K65.1Low66.9Low101 Ų10168 Ų6844%0.43935%0.35SS..Hα-helixtrans-57.4-37.4176.4-75-163.7170.8-160.70113.4R1319 L1327R1319-K1323 PolarHBondContact O-N 2.89Å; K1323-L1327 VanDerWaalsContact O-CB 3.27Å; K1323-L1327 WeakPolarHBondContact O-CB 3.4Å; K1323-L1327 PolarHBondContact O-N 2.7Å
1324R65.6Low66.4Low134 Ų13472.4 Ų72.451%0.50638%0.375SS..Hα-helixtrans-65.4-39.6174.7-81.6176.6163.1-178.5-5.8112.6I1320 A1321 N1322 A1328I1320-R1324 WeakPolarHBondContact O-CB 3.25Å; I1320-R1324 WeakPolarHBondContact O-CG 3.46Å; I1320-R1324 PolarHBondContact O-N 2.97Å; A1321-R1324 PolarHBondContact O-N 3.49Å; N1322-R1324 VanDerWaalsContact C-N 3.28Å; N1322-R1324 PolarHBondContact O-N 3.48Å; R1324-A1328 WeakPolarHBondContact O-CB 3.27Å; R1324-A1328 PolarHBondContact O-N 2.96Å
1325H71Confident66Low125 Ų12567 Ų6758%0.57937%0.366SS*.Hα-helixtrans-65.4-52174.1-176.756.2000110.8A1321 N1322 L1327 A1328 T1329A1321-H1325 PolarHBondContact O-N 3.47Å; N1322-H1325 WeakPolarHBondContact O-CB 3.29Å; N1322-H1325 PolarHBondContact O-N 3.14Å; H1325-L1327 PolarHBondContact O-N 2.94Å; H1325-A1328 WeakPolarHBondContact O-CA 3.41Å; H1325-A1328 WeakPolarHBondContact O-CB 3.49Å; H1325-A1328 PolarHBondContact O-N 3.46Å; H1325-T1329 PolarHBondContact O-N 3.13Å; H1325-T1329 PolarHBondContact O-OG1 3.45Å; H1325-T1329 VanDerWaalsContact O-OG1 3.11Å
1326S62Low66Low28 Ų2871.7 Ų71.720%0.19638%0.384CS..Hα-helixtrans-65.3-20.4-179.2-49.10000114.4R1106 N1322 A1330R1106-S1326 PolarHBondContact NH1-O 3.48Å; N1322-S1326 PolarHBondContact O-N 3.08Å; N1322-S1326 PolarHBondContact O-OG 2.8Å; S1326-A1330 WeakPolarHBondContact O-CB 3.14Å; S1326-A1330 PolarHBondContact O-N 3.38Å
1327L66Low65.9Low99 Ų9975 Ų7552%0.51840%0.401SS..Hα-helixtrans-81.2-40.2168.217861.2000112.2K1323 H1325 A1330 N1331K1323-L1327 VanDerWaalsContact O-CB 3.27Å; K1323-L1327 WeakPolarHBondContact O-CB 3.4Å; K1323-L1327 PolarHBondContact O-N 2.7Å; H1325-L1327 PolarHBondContact O-N 2.94Å; L1327-A1330 PolarHBondContact O-N 3.01Å; L1327-N1331 PolarHBondContact O-N 3.26Å; L1327-N1331 PolarHBondContact O-ND2 2.94Å
1328A66.4Low65.7Low49 Ų4974.6 Ų74.641%0.40540%0.398SS..Hα-helixtrans-62.8-43.3175.900000111.6R1324 H1325 N1331 Q1332R1324-A1328 WeakPolarHBondContact O-CB 3.27Å; R1324-A1328 PolarHBondContact O-N 2.96Å; H1325-A1328 WeakPolarHBondContact O-CA 3.41Å; H1325-A1328 WeakPolarHBondContact O-CB 3.49Å; H1325-A1328 PolarHBondContact O-N 3.46Å; A1328-N1331 PolarHBondContact O-N 3.08Å; A1328-Q1332 WeakPolarHBondContact O-CG 3.33Å; A1328-Q1332 PolarHBondContact O-N 3.29Å; A1328-Q1332 VanDerWaalsContact O-N 3.09Å
1329T67.1Low65.8Low48 Ų4876.2 Ų76.229%0.29441%0.405SS..Hα-helixtrans-60-50.7174.2-50.20000110.8H1325 N1331 Q1332 H1333H1325-T1329 PolarHBondContact O-N 3.13Å; H1325-T1329 PolarHBondContact O-OG1 3.45Å; H1325-T1329 VanDerWaalsContact O-OG1 3.11Å; T1329-N1331 VanDerWaalsContact C-N 3.31Å; T1329-N1331 PolarHBondContact O-N 2.86Å; T1329-Q1332 WeakPolarHBondContact O-CA 3.41Å; T1329-Q1332 WeakPolarHBondContact O-CB 3.45Å; T1329-Q1332 PolarHBondContact O-N 2.91Å; T1329-H1333 PolarHBondContact O-CD2 3.49Å; T1329-H1333 PolarHBondContact O-N 2.83Å
1330A57.9Low66Low26 Ų2679.1 Ų79.122%0.21542%0.419CS..Hα-helixtrans-58.9-39.5178.700000113.1S1326 L1327 Q1332 H1333 V1334S1326-A1330 WeakPolarHBondContact O-CB 3.14Å; S1326-A1330 PolarHBondContact O-N 3.38Å; L1327-A1330 PolarHBondContact O-N 3.01Å; A1330-Q1332 VanDerWaalsContact C-N 3.27Å; A1330-Q1332 PolarHBondContact O-N 3.18Å; A1330-H1333 PolarHBondContact O-N 3.22Å; A1330-V1334 WeakPolarHBondContact O-CG2 3.35Å; A1330-V1334 PolarHBondContact O-N 3.49Å
1331N62.7Low65.9Low96 Ų9680.1 Ų80.151%0.51342%0.423SS..Hα-helixtrans-65.9-27.4173.6-72.5-31.7000113.1L1327 A1328 T1329 A1335L1327-N1331 PolarHBondContact O-N 3.26Å; L1327-N1331 PolarHBondContact O-ND2 2.94Å; A1328-N1331 PolarHBondContact O-N 3.08Å; T1329-N1331 VanDerWaalsContact C-N 3.31Å; T1329-N1331 PolarHBondContact O-N 2.86Å; N1331-A1335 VanDerWaalsContact O-CB 3.32Å; N1331-A1335 WeakPolarHBondContact O-CB 3.29Å; N1331-A1335 PolarHBondContact O-N 3.02Å; N1331-A1335 VanDerWaalsContact O-N 3.12Å
1332Q69.2Low66.2Low121 Ų12184.2 Ų84.257%0.56543%0.43SS*.Hα-helixtrans-73.5-38.2172.3-72.1174.6-39.200111.9A1328 T1329 A1330 A1335 R1336A1328-Q1332 WeakPolarHBondContact O-CG 3.33Å; A1328-Q1332 PolarHBondContact O-N 3.29Å; A1328-Q1332 VanDerWaalsContact O-N 3.09Å; T1329-Q1332 WeakPolarHBondContact O-CA 3.41Å; T1329-Q1332 WeakPolarHBondContact O-CB 3.45Å; T1329-Q1332 PolarHBondContact O-N 2.91Å; A1330-Q1332 VanDerWaalsContact C-N 3.27Å; A1330-Q1332 PolarHBondContact O-N 3.18Å; Q1332-A1335 PolarHBondContact O-N 3.18Å; Q1332-R1336 WeakPolarHBondContact O-CB 3.25Å; Q1332-R1336 PolarHBondContact O-N 3.34Å
1333H64.7Low66.5Low97 Ų9787.4 Ų87.445%0.44945%0.447SS..Hα-helixtrans-62.3-51.2172.2-78-106.8000110.9T1329 A1330 A1335 R1336 N1337T1329-H1333 PolarHBondContact O-CD2 3.49Å; T1329-H1333 PolarHBondContact O-N 2.83Å; A1330-H1333 PolarHBondContact O-N 3.22Å; H1333-A1335 PolarHBondContact O-N 3.09Å; H1333-R1336 WeakPolarHBondContact O-CA 3.35Å; H1333-R1336 WeakPolarHBondContact O-CB 3.14Å; H1333-R1336 PolarHBondContact O-N 3.5Å; H1333-N1337 PolarHBondContact O-N 2.87Å; H1333-N1337 PolarHBondContact O-OD1 2.75Å
1334V61.4Low66.7Low102 Ų10288.2 Ų88.262%0.61846%0.456SS*.Hα-helixtrans-56.2-39.4176.1174.70000112.1A1330 A1338A1330-V1334 WeakPolarHBondContact O-CG2 3.35Å; A1330-V1334 PolarHBondContact O-N 3.49Å; V1334-A1338 WeakPolarHBondContact O-CB 3.41Å; V1334-A1338 PolarHBondContact O-N 2.74Å; V1334-A1338 VanDerWaalsContact O-N 3.16Å
1335A62.7Low66.6Low52 Ų5286 Ų8643%0.4345%0.447SS..Hα-helixtrans-69.2-34.1175.800000113.5N1331 Q1332 H1333 I1339N1331-A1335 VanDerWaalsContact O-CB 3.32Å; N1331-A1335 WeakPolarHBondContact O-CB 3.29Å; N1331-A1335 PolarHBondContact O-N 3.02Å; N1331-A1335 VanDerWaalsContact O-N 3.12Å; Q1332-A1335 PolarHBondContact O-N 3.18Å; H1333-A1335 PolarHBondContact O-N 3.09Å; A1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; A1335-I1339 WeakPolarHBondContact O-CG1 3.29Å; A1335-I1339 PolarHBondContact O-N 3.49Å
1336R69.1Low66.5Low149 Ų14982.4 Ų82.456%0.56244%0.436SS*.Hα-helixtrans-67.2-51.5174.5178.6-178.6173.7-168.7-8.9110.8Q1332 H1333 A1338 I1339 E1340Q1332-R1336 WeakPolarHBondContact O-CB 3.25Å; Q1332-R1336 PolarHBondContact O-N 3.34Å; H1333-R1336 WeakPolarHBondContact O-CA 3.35Å; H1333-R1336 WeakPolarHBondContact O-CB 3.14Å; H1333-R1336 PolarHBondContact O-N 3.5Å; R1336-A1338 PolarHBondContact O-N 2.95Å; R1336-I1339 WeakPolarHBondContact O-CA 3.31Å; R1336-I1339 WeakPolarHBondContact O-CB 3.36Å; R1336-I1339 PolarHBondContact O-N 3.14Å; R1336-E1340 HydrophobicContact CG-CG 4.5Å; R1336-E1340 IonicContact CZ-OE1 3.19Å; R1336-E1340 IonicContact NE-OE1 2.73Å; R1336-E1340 PolarHBondContact NE-OE1 3.38Å; R1336-E1340 IonicContact NE-OE2 3.97Å; R1336-E1340 IonicContact NH2-OE1 2.77Å; R1336-E1340 PolarHBondContact NH2-OE1 2.97Å; R1336-E1340 PolarHBondContact O-N 2.92Å
1337N65.1Low66.8Low71 Ų7188.7 Ų88.738%0.3846%0.455SS..Hα-helixtrans-60.4-36.5-178.6-60.124.7000110.6H1333 I1339 E1340 E1341H1333-N1337 PolarHBondContact O-N 2.87Å; H1333-N1337 PolarHBondContact O-OD1 2.75Å; N1337-I1339 VanDerWaalsContact C-N 3.28Å; N1337-I1339 PolarHBondContact O-N 3.02Å; N1337-E1340 PolarHBondContact O-N 2.92Å; N1337-E1341 WeakPolarHBondContact O-CB 3.15Å; N1337-E1341 PolarHBondContact O-N 3.49Å
1338A67.5Low66.7Low40 Ų4087.6 Ų87.633%0.33145%0.45SS..Hα-helixtrans-75.2-5.8174.200000115.4V1334 R1336 K1342V1334-A1338 WeakPolarHBondContact O-CB 3.41Å; V1334-A1338 PolarHBondContact O-N 2.74Å; V1334-A1338 VanDerWaalsContact O-N 3.16Å; R1336-A1338 PolarHBondContact O-N 2.95Å; A1338-K1342 VanDerWaalsContact O-CD 3.31Å; A1338-K1342 WeakPolarHBondContact O-CD 3.43Å; A1338-K1342 WeakPolarHBondContact O-CE 3.45Å; A1338-K1342 WeakPolarHBondContact O-CG 3.31Å
1339I72.3Confident66.6Low114 Ų11488.3 Ų88.359%0.58545%0.452SS*.Hα-helixtrans-94.8-41.1166.9-69.8164.5000109.4A1335 R1336 N1337 K1342 L1343A1335-I1339 WeakPolarHBondContact O-CD1 3.45Å; A1335-I1339 WeakPolarHBondContact O-CG1 3.29Å; A1335-I1339 PolarHBondContact O-N 3.49Å; R1336-I1339 WeakPolarHBondContact O-CA 3.31Å; R1336-I1339 WeakPolarHBondContact O-CB 3.36Å; R1336-I1339 PolarHBondContact O-N 3.14Å; N1337-I1339 VanDerWaalsContact C-N 3.28Å; N1337-I1339 PolarHBondContact O-N 3.02Å; I1339-K1342 WeakPolarHBondContact O-CB 3.32Å; I1339-K1342 PolarHBondContact O-N 3.19Å; I1339-K1342 VanDerWaalsContact O-N 3.15Å; I1339-L1343 PolarHBondContact O-N 3.27Å
1340E68.6Low66.1Low72 Ų7290.6 Ų90.634%0.33646%0.459SS..Hα-helixtrans-65.6-39.6177.1-71.3169.4165.200111.5R1336 N1337 K1342 L1343 L1344R1336-E1340 HydrophobicContact CG-CG 4.5Å; R1336-E1340 IonicContact CZ-OE1 3.19Å; R1336-E1340 IonicContact NE-OE1 2.73Å; R1336-E1340 PolarHBondContact NE-OE1 3.38Å; R1336-E1340 IonicContact NE-OE2 3.97Å; R1336-E1340 IonicContact NH2-OE1 2.77Å; R1336-E1340 PolarHBondContact NH2-OE1 2.97Å; R1336-E1340 PolarHBondContact O-N 2.92Å; N1337-E1340 PolarHBondContact O-N 2.92Å; E1340-K1342 VanDerWaalsContact C-N 3.28Å; E1340-K1342 PolarHBondContact O-N 3.4Å; E1340-L1343 PolarHBondContact O-N 2.92Å; E1340-L1344 WeakPolarHBondContact O-CB 3.35Å; E1340-L1344 WeakPolarHBondContact O-CG 3.39Å; E1340-L1344 PolarHBondContact O-N 3.11Å
1341E65.3Low65.8Low71 Ų7195.1 Ų95.133%0.33248%0.479SS..Hα-helixtrans-56.1-42.2169.7-166.6-149.2157.300111.7N1337 L1344 R1345N1337-E1341 WeakPolarHBondContact O-CB 3.15Å; N1337-E1341 PolarHBondContact O-N 3.49Å; E1341-L1344 PolarHBondContact O-N 2.87Å; E1341-R1345 WeakPolarHBondContact O-CB 3.45Å; E1341-R1345 WeakPolarHBondContact O-CG 3.41Å; E1341-R1345 PolarHBondContact O-N 3.13Å; E1341-R1345 IonicContact OE1-CZ 2.7Å; E1341-R1345 VanDerWaalsContact OE1-CZ 3.24Å; E1341-R1345 IonicContact OE1-NE 3.14Å; E1341-R1345 PolarHBondContact OE1-NE 3.02Å; E1341-R1345 IonicContact OE1-NH2 3.57Å; E1341-R1345 PolarHBondContact OE1-NH2 2.76Å
1342K73.7Confident65.1Low142 Ų14295.8 Ų95.862%0.61748%0.483SS*.Hα-helixtrans-70.7-36178.4-70.9173.3-174.2163.20112.4A1338 I1339 E1340 R1345 S1346A1338-K1342 VanDerWaalsContact O-CD 3.31Å; A1338-K1342 WeakPolarHBondContact O-CD 3.43Å; A1338-K1342 WeakPolarHBondContact O-CE 3.45Å; A1338-K1342 WeakPolarHBondContact O-CG 3.31Å; I1339-K1342 WeakPolarHBondContact O-CB 3.32Å; I1339-K1342 PolarHBondContact O-N 3.19Å; I1339-K1342 VanDerWaalsContact O-N 3.15Å; E1340-K1342 VanDerWaalsContact C-N 3.28Å; E1340-K1342 PolarHBondContact O-N 3.4Å; K1342-R1345 PolarHBondContact O-N 3.36Å; K1342-S1346 WeakPolarHBondContact O-CB 3.27Å; K1342-S1346 PolarHBondContact O-N 3.33Å
1343L74.1Confident64Low98 Ų9896 Ų9651%0.51349%0.486SS..Hα-helixtrans-66.9-41.8175.1-178.562.3000111.1I1339 E1340 S1346 R1347I1339-L1343 PolarHBondContact O-N 3.27Å; E1340-L1343 PolarHBondContact O-N 2.92Å; L1343-S1346 WeakPolarHBondContact O-CB 3.43Å; L1343-S1346 PolarHBondContact O-N 3.11Å; L1343-R1347 PolarHBondContact O-N 2.95Å
1344L67.8Low63Low119 Ų11998.3 Ų98.362%0.62350%0.502SS*.Hα-helixtrans-62.8-46.9173.3-70.7170.9000111.2E1340 E1341 S1346 R1347 L1348E1340-L1344 WeakPolarHBondContact O-CB 3.35Å; E1340-L1344 WeakPolarHBondContact O-CG 3.39Å; E1340-L1344 PolarHBondContact O-N 3.11Å; E1341-L1344 PolarHBondContact O-N 2.87Å; L1344-S1346 VanDerWaalsContact C-N 3.31Å; L1344-S1346 PolarHBondContact O-N 3.21Å; L1344-R1347 PolarHBondContact O-N 3.28Å; L1344-L1348 WeakPolarHBondContact O-CB 3.47Å; L1344-L1348 PolarHBondContact O-N 3.26Å
1345R63.7Low62Low88 Ų88103.1 Ų103.133%0.33251%0.511SS..Hα-helixtrans-60.5-37.4173.5-72.8-178.1-172.3-82.6-0.4112.6E1341 K1342 S1349 D1388E1341-R1345 WeakPolarHBondContact O-CB 3.45Å; E1341-R1345 WeakPolarHBondContact O-CG 3.41Å; E1341-R1345 PolarHBondContact O-N 3.13Å; E1341-R1345 IonicContact OE1-CZ 2.7Å; E1341-R1345 VanDerWaalsContact OE1-CZ 3.24Å; E1341-R1345 IonicContact OE1-NE 3.14Å; E1341-R1345 PolarHBondContact OE1-NE 3.02Å; E1341-R1345 IonicContact OE1-NH2 3.57Å; E1341-R1345 PolarHBondContact OE1-NH2 2.76Å; K1342-R1345 PolarHBondContact O-N 3.36Å; R1345-S1349 WeakPolarHBondContact O-CB 3.38Å; R1345-S1349 PolarHBondContact O-N 2.8Å; R1345-S1349 VanDerWaalsContact O-N 3.1Å; R1345-S1349 PolarHBondContact O-OG 3Å; R1345-D1388 IonicContact CZ-OD1 3.24Å; R1345-D1388 VanDerWaalsContact CZ-OD1 3.24Å; R1345-D1388 IonicContact NH1-OD1 2.87Å; R1345-D1388 PolarHBondContact NH1-OD1 3.42Å; R1345-D1388 IonicContact NH1-OD2 3.6Å; R1345-D1388 PolarHBondContact NH1-OD2 2.9Å; R1345-D1388 IonicContact NH2-OD1 2.75Å; R1345-D1388 PolarHBondContact NH2-OD1 3.2Å
1346S69.9Low60.9Low49 Ų49108.9 Ų108.934%0.34353%0.528SS..Hα-helixtrans-61.9-54.8174.7-156.60000110.4K1342 L1343 L1344 L1348 S1349 E1350K1342-S1346 WeakPolarHBondContact O-CB 3.27Å; K1342-S1346 PolarHBondContact O-N 3.33Å; L1343-S1346 WeakPolarHBondContact O-CB 3.43Å; L1343-S1346 PolarHBondContact O-N 3.11Å; L1344-S1346 VanDerWaalsContact C-N 3.31Å; L1344-S1346 PolarHBondContact O-N 3.21Å; S1346-L1348 VanDerWaalsContact C-N 3.34Å; S1346-L1348 PolarHBondContact O-N 3Å; S1346-S1349 CarbonylContact O-C 3.12Å; S1346-S1349 WeakPolarHBondContact O-CA 3.46Å; S1346-S1349 PolarHBondContact O-N 3.44Å; S1346-S1349 PolarHBondContact O-OG 2.89Å; S1346-E1350 VanDerWaalsContact C-OE1 3.28Å; S1346-E1350 VanDerWaalsContact CB-OE1 3.3Å; S1346-E1350 WeakPolarHBondContact CB-OE1 3.46Å; S1346-E1350 WeakPolarHBondContact O-CG 3.34Å; S1346-E1350 PolarHBondContact O-N 2.7Å; S1346-E1350 PolarHBondContact OG-OE1 3.31Å
1347R67.5Low59.4Low159 Ų159109.8 Ų109.860%0.654%0.538SS*.Hα-helixtrans-61.6-38179-75.7-171.4168.2-169-3.5113.5L1343 L1344 S1349 E1350 L1351L1343-R1347 PolarHBondContact O-N 2.95Å; L1344-R1347 PolarHBondContact O-N 3.28Å; R1347-S1349 PolarHBondContact O-N 3.39Å; R1347-E1350 PolarHBondContact O-N 3.45Å; R1347-L1351 WeakPolarHBondContact O-CG 3.21Å; R1347-L1351 PolarHBondContact O-N 3.31Å
1348L64.3Low57.9Low76 Ų76115.1 Ų115.140%0.39856%0.561SS.*Hα-helixtrans-66.5-23.7174.5-147.775.6000112.5L1344 S1346L1344-L1348 WeakPolarHBondContact O-CB 3.47Å; L1344-L1348 PolarHBondContact O-N 3.26Å; S1346-L1348 VanDerWaalsContact C-N 3.34Å; S1346-L1348 PolarHBondContact O-N 3Å
1349S63.4Low56.3Low65 Ų65121.9 Ų121.946%0.45559%0.585SS.*Hα-helixtrans-89.5-25171.772.40000114.1R1345 S1346 R1347 N1352R1345-S1349 WeakPolarHBondContact O-CB 3.38Å; R1345-S1349 PolarHBondContact O-N 2.8Å; R1345-S1349 VanDerWaalsContact O-N 3.1Å; R1345-S1349 PolarHBondContact O-OG 3Å; S1346-S1349 CarbonylContact O-C 3.12Å; S1346-S1349 WeakPolarHBondContact O-CA 3.46Å; S1346-S1349 PolarHBondContact O-N 3.44Å; S1346-S1349 PolarHBondContact O-OG 2.89Å; R1347-S1349 PolarHBondContact O-N 3.39Å; S1349-N1352 WeakPolarHBondContact O-CB 3.49Å; S1349-N1352 PolarHBondContact O-N 3.18Å
1350E56.3Low54.6Low96 Ų96121 Ų12145%0.44959%0.587SS.*Hα-helixtrans-72.5-39.4173.8-71.4151.7-144.400110.9S1346 R1347 N1352 I1353S1346-E1350 VanDerWaalsContact C-OE1 3.28Å; S1346-E1350 VanDerWaalsContact CB-OE1 3.3Å; S1346-E1350 WeakPolarHBondContact CB-OE1 3.46Å; S1346-E1350 WeakPolarHBondContact O-CG 3.34Å; S1346-E1350 PolarHBondContact O-N 2.7Å; S1346-E1350 PolarHBondContact OG-OE1 3.31Å; R1347-E1350 PolarHBondContact O-N 3.45Å; E1350-N1352 PolarHBondContact O-N 3.31Å; E1350-I1353 PolarHBondContact O-N 2.98Å; E1350-I1353 VanDerWaalsContact O-N 3.13Å
1351L53.4Low53.1Low120 Ų120124.6 Ų124.663%0.62860%0.603SS**THydrogen-bonded Turntrans-57.9-13.7168.9-73.8168.4000113.9R1347R1347-L1351 WeakPolarHBondContact O-CG 3.21Å; R1347-L1351 PolarHBondContact O-N 3.31Å
1352N46.3Very low51.7Low110 Ų110129.7 Ų129.759%0.58863%0.627SS**THydrogen-bonded Turntrans-99.316.7-179.4-167.381.5000112.7S1349 E1350S1349-N1352 WeakPolarHBondContact O-CB 3.49Å; S1349-N1352 PolarHBondContact O-N 3.18Å; E1350-N1352 PolarHBondContact O-N 3.31Å
1353I47.7Very low49.8Very low126 Ų126129.2 Ų129.265%0.64663%0.631SS**THydrogen-bonded Turntrans-124-40.9-177.8-60.3178.3000113.3E1350 Y1355E1350-I1353 PolarHBondContact O-N 2.98Å; E1350-I1353 VanDerWaalsContact O-N 3.13Å; I1353-Y1355 PolarHBondContact O-N 3.45Å
1354D42.8Very low48.1Very low145 Ų145131.3 Ų131.378%0.77564%0.643SS**G310 helixtrans-79.4-9.9-168.7-92.5-18.2000116.3H1356D1354-H1356 PolarHBondContact O-N 2.86Å
1355Y40Very low46.4Very low204 Ų204131.1 Ų131.180%0.864%0.639SS**G310 helixtrans-9424.1-172.3-87.1-76.5000115.8I1353I1353-Y1355 PolarHBondContact O-N 3.45Å
1356H39.7Very low45Very low172 Ų172134.8 Ų134.880%0.79666%0.664SS**G310 helixtrans-132.611.2-172.9-102.329.6000117D1354D1354-H1356 PolarHBondContact O-N 2.86Å
1357H37.2Very low43.5Very low168 Ų168137.5 Ų137.578%0.77868%0.678SS**SBendtrans-133.6145.8165-78.757.4000109.6
1358H35.6Very low41.7Very low184 Ų184135 Ų13585%0.85268%0.676SS**  trans78.471.6180-51.7-69.2000118.4
1359H33.7Very low40.3Very low182 Ų182136.8 Ų136.884%0.84370%0.696SS**  trans-117.7148.9136-127.231.9000106.8
1360P35.4Very low38.9Very low96 Ų96141.4 Ų141.462%0.62370%0.703SS**  -143.4179.659.241.8-24.9000116.1
1361H36.5Very low37.8Very low147 Ų147141 Ų14168%0.68170%0.704SS**  trans53.8112.7166.7-56.9-67.3000116.4
1362H37.5Very low36.8Very low177 Ų177140.3 Ų140.382%0.81971%0.709SS**  -155.5164.658.7-94.9-84.6000113
1363D33.9Very low36.3Very low133 Ų133142.7 Ų142.771%0.71172%0.715SS**  trans-82.1150.3-175.4-47-92.5000113.5
1364D36.6Very low35.8Very low142 Ų142142.7 Ų142.776%0.75972%0.716SS**  trans-171.199.8130.9-103.7-26.4000115L1366D1364-L1366 PolarHBondContact O-N 3.23Å
1365H32.8Very low35.3Very low115 Ų115140.3 Ų140.353%0.53271%0.711SS.*SBendtrans57.1-12.1135.6-84.4-79.3000125.6
1366L34.8Very low35.1Very low165 Ų165136.3 Ų136.386%0.86470%0.701SS**SBendtrans-98.7-2.6-170.9-92.7167.5000118.7D1364D1364-L1366 PolarHBondContact O-N 3.23Å
1367V37.2Very low34.8Very low106 Ų106136.3 Ų136.364%0.64270%0.701SS**  trans-115.722.5-172-159.20000114S1369V1367-S1369 VanDerWaalsContact C-N 3.29Å; V1367-S1369 PolarHBondContact O-N 3.09Å; V1367-S1369 VanDerWaalsContact O-N 3.17Å
1368N31.6Very low35Very low105 Ų105132.3 Ų132.356%0.56168%0.684SS**THydrogen-bonded Turntrans-74.3-5-171-79.8-27.8000116.6N1371N1368-N1371 PolarHBondContact OD1-ND2 3.32Å
1369S33.4Very low35.1Very low115 Ų115128.8 Ų128.880%0.80467%0.672SS**THydrogen-bonded Turntrans-82.2-9.8176.5-168.90000114.9V1367V1367-S1369 VanDerWaalsContact C-N 3.29Å; V1367-S1369 PolarHBondContact O-N 3.09Å; V1367-S1369 VanDerWaalsContact O-N 3.17Å
1370W35.6Very low35.4Very low162 Ų162127.3 Ų127.361%0.61466%0.66SS**SBendtrans-104.2-10.5-173.4-78.368.3000114.5S1372 F1373W1370-S1372 PolarHBondContact O-N 2.82Å; W1370-F1373 PolarHBondContact O-N 3.13Å
1371N32.8Very low35.7Very low86 Ų86124.7 Ų124.746%0.4665%0.651SS.*G310 helixtrans-67.7-8-169.5-76.2-36.6000115.6N1368 F1373 N1374N1368-N1371 PolarHBondContact OD1-ND2 3.32Å; N1371-F1373 PolarHBondContact O-N 2.95Å; N1371-N1374 PolarHBondContact O-N 3.43Å; N1371-N1374 PolarHBondContact OD1-ND2 3.38Å; N1371-N1374 VanDerWaalsContact OD1-ND2 3.14Å
1372S32.9Very low36.6Very low106 Ų106120.1 Ų120.174%0.74163%0.633SS**G310 helixtrans-72.2-10.1176.4-168.10000114.7W1370W1370-S1372 PolarHBondContact O-N 2.82Å
1373F35.1Very low37Very low160 Ų160115.3 Ų115.370%0.70261%0.613SS**G310 helixtrans-95.4-16.8174.9-88.4-82.7000114.2W1370 N1371 S1375 M1376W1370-F1373 PolarHBondContact O-N 3.13Å; N1371-F1373 PolarHBondContact O-N 2.95Å; F1373-S1375 PolarHBondContact O-N 3.28Å; F1373-S1375 VanDerWaalsContact O-N 3.13Å; F1373-M1376 PolarHBondContact O-N 2.94Å
1374N36.6Very low37.8Very low127 Ų127112 Ų11268%0.67960%0.597SS**THydrogen-bonded Turntrans-761.4-172.6-70.3-24.2000114.6N1371N1371-N1374 PolarHBondContact O-N 3.43Å; N1371-N1374 PolarHBondContact OD1-ND2 3.38Å; N1371-N1374 VanDerWaalsContact OD1-ND2 3.14Å
1375S32.2Very low38.6Very low95 Ų95109.8 Ų109.866%0.66459%0.586SS**THydrogen-bonded Turntrans-91.9-15176.958.30000114.1F1373F1373-S1375 PolarHBondContact O-N 3.28Å; F1373-S1375 VanDerWaalsContact O-N 3.13Å
1376M36.5Very low39.4Very low120 Ų120110 Ų11059%0.59158%0.582SS**SBendtrans-91.6105.6174.5-167.3171.6-165.400109.6F1373 I1378F1373-M1376 PolarHBondContact O-N 2.94Å; M1376-I1378 VanDerWaalsContact O-CG1 3.32Å; M1376-I1378 WeakPolarHBondContact O-CG1 3.37Å; M1376-I1378 PolarHBondContact O-N 3.46Å
1377E33.9Very low40.4Very low172 Ų172106.5 Ų106.580%0.80456%0.56SS**  trans-60.891.9177.8-171176-138.600110.5N1379E1377-N1379 VanDerWaalsContact C-N 3.26Å; E1377-N1379 PolarHBondContact O-N 3.43Å
1378I40.5Very low41.3Very low83 Ų83103.3 Ų103.343%0.42654%0.539SS..  trans-73.184.3-179.4-49.7-175.7000108.2M1376 Y1380 I1383M1376-I1378 VanDerWaalsContact O-CG1 3.32Å; M1376-I1378 WeakPolarHBondContact O-CG1 3.37Å; M1376-I1378 PolarHBondContact O-N 3.46Å; I1378-Y1380 WeakPolarHBondContact O-CD2 3.48Å; I1378-Y1380 VanDerWaalsContact O-CE2 3.3Å; I1378-Y1380 WeakPolarHBondContact O-CE2 3.35Å; I1378-Y1380 PolarHBondContact O-N 3.02Å; I1378-I1383 HydrophobicContact CG2-CD1 4.03Å; I1378-I1383 HydrophobicContact CG2-CG1 4.07Å
1379N38.7Very low42.8Very low111 Ų111105.6 Ų105.659%0.59454%0.54SS*.  trans-53.6105.8170.2-178.9-36.6000108.5E1377 G1381 T1382E1377-N1379 VanDerWaalsContact C-N 3.26Å; E1377-N1379 PolarHBondContact O-N 3.43Å; N1379-G1381 PolarHBondContact O-N 3.28Å; N1379-G1381 VanDerWaalsContact O-N 3.13Å; N1379-G1381 PolarHBondContact OD1-N 3.06Å; N1379-T1382 WeakPolarHBondContact O-CA 3.38Å; N1379-T1382 WeakPolarHBondContact O-CB 3.31Å; N1379-T1382 PolarHBondContact O-N 3.33Å; N1379-T1382 PolarHBondContact O-OG1 3Å
1380Y38.4Very low44.1Very low150 Ų150103 Ų10359%0.58852%0.516SS*.THydrogen-bonded Turntrans-65.2-23.8-163.2-65.2-83.5000113.5I1378 T1382 I1383I1378-Y1380 WeakPolarHBondContact O-CD2 3.48Å; I1378-Y1380 VanDerWaalsContact O-CE2 3.3Å; I1378-Y1380 WeakPolarHBondContact O-CE2 3.35Å; I1378-Y1380 PolarHBondContact O-N 3.02Å; Y1380-T1382 PolarHBondContact O-N 2.7Å; Y1380-T1382 VanDerWaalsContact O-N 3.1Å; Y1380-I1383 HydrophobicContact CD1-CD1 3.96Å; Y1380-I1383 PolarHBondContact O-N 3.4Å
1381G42.9Very low45.4Very low42 Ų4298.6 Ų98.643%0.43350%0.503SS..Hα-helixtrans-58.9-20.4168.300000113.6N1379 N1385N1379-G1381 PolarHBondContact O-N 3.28Å; N1379-G1381 VanDerWaalsContact O-N 3.13Å; N1379-G1381 PolarHBondContact OD1-N 3.06Å; G1381-N1385 PolarHBondContact O-N 3.24Å; G1381-N1385 PolarHBondContact O-ND2 2.9Å
1382T54Low46.9Very low51 Ų5198.1 Ų98.131%0.31350%0.5SS..Hα-helixtrans-74.1-26.8174.8-330000112.5N1379 Y1380 R1386N1379-T1382 WeakPolarHBondContact O-CA 3.38Å; N1379-T1382 WeakPolarHBondContact O-CB 3.31Å; N1379-T1382 PolarHBondContact O-N 3.33Å; N1379-T1382 PolarHBondContact O-OG1 3Å; Y1380-T1382 PolarHBondContact O-N 2.7Å; Y1380-T1382 VanDerWaalsContact O-N 3.1Å; T1382-R1386 HydrophobicContact CG2-CG 4.26Å; T1382-R1386 VanDerWaalsContact O-CB 3.28Å; T1382-R1386 WeakPolarHBondContact O-CB 3.43Å; T1382-R1386 WeakPolarHBondContact O-CG 3.28Å; T1382-R1386 PolarHBondContact O-N 3.24Å
1383I45.9Very low48.2Very low75 Ų7595.2 Ų95.239%0.38548%0.476SS..Hα-helixtrans-68.9-50.6-177.5-58.4178.8000110.2I1378 Y1380 N1385 R1386 F1387I1378-I1383 HydrophobicContact CG2-CD1 4.03Å; I1378-I1383 HydrophobicContact CG2-CG1 4.07Å; Y1380-I1383 HydrophobicContact CD1-CD1 3.96Å; Y1380-I1383 PolarHBondContact O-N 3.4Å; I1383-N1385 VanDerWaalsContact C-N 3.35Å; I1383-N1385 PolarHBondContact O-N 2.87Å; I1383-R1386 WeakPolarHBondContact O-CB 3.46Å; I1383-R1386 PolarHBondContact O-N 3.48Å; I1383-R1386 VanDerWaalsContact O-N 3.16Å; I1383-F1387 PolarHBondContact O-N 2.75Å
1384V50.6Low49.3Very low63 Ų6389.2 Ų89.238%0.38245%0.453SS..Hα-helixtrans-62.4-42.5177.2-175.20000110.9R1386 F1387 D1388V1384-R1386 VanDerWaalsContact C-N 3.34Å; V1384-R1386 PolarHBondContact O-N 3.26Å; V1384-F1387 PolarHBondContact O-N 2.9Å; V1384-D1388 PolarHBondContact O-N 3.3Å
1385N54.3Low50.5Low97 Ų9786.1 Ų86.152%0.51944%0.435SS..Hα-helixtrans-65.4-32.1175.4-80.6-70.8000113.4G1381 I1383 R1389G1381-N1385 PolarHBondContact O-N 3.24Å; G1381-N1385 PolarHBondContact O-ND2 2.9Å; I1383-N1385 VanDerWaalsContact C-N 3.35Å; I1383-N1385 PolarHBondContact O-N 2.87Å; N1385-R1389 WeakPolarHBondContact O-CB 3.36Å; N1385-R1389 PolarHBondContact O-N 3.29Å
1386R49.8Very low51.6Low119 Ų11984.1 Ų84.145%0.44943%0.425SS..Hα-helixtrans-68.4-45.2171.6-77.6168.7-169-165.58.5110.8T1382 I1383 V1384 R1389 L1390T1382-R1386 HydrophobicContact CG2-CG 4.26Å; T1382-R1386 VanDerWaalsContact O-CB 3.28Å; T1382-R1386 WeakPolarHBondContact O-CB 3.43Å; T1382-R1386 WeakPolarHBondContact O-CG 3.28Å; T1382-R1386 PolarHBondContact O-N 3.24Å; I1383-R1386 WeakPolarHBondContact O-CB 3.46Å; I1383-R1386 PolarHBondContact O-N 3.48Å; I1383-R1386 VanDerWaalsContact O-N 3.16Å; V1384-R1386 VanDerWaalsContact C-N 3.34Å; V1384-R1386 PolarHBondContact O-N 3.26Å; R1386-R1389 PolarHBondContact O-N 3.39Å; R1386-L1390 VanDerWaalsContact O-CB 3.3Å; R1386-L1390 WeakPolarHBondContact O-CB 3.5Å; R1386-L1390 PolarHBondContact O-N 3.41Å
1387F54.9Low52.7Low91 Ų9179.9 Ų79.940%0.39941%0.406SS..Hα-helixtrans-61-49.1176.5-177.9-91.9000111.7I1383 V1384 R1389 L1390 H1391I1383-F1387 PolarHBondContact O-N 2.75Å; V1384-F1387 PolarHBondContact O-N 2.9Å; F1387-R1389 VanDerWaalsContact C-N 3.34Å; F1387-R1389 PolarHBondContact O-N 3.17Å; F1387-L1390 PolarHBondContact O-N 3.02Å; F1387-H1391 VanDerWaalsContact O-CB 3.25Å; F1387-H1391 WeakPolarHBondContact O-CB 3.3Å; F1387-H1391 PolarHBondContact O-N 3.5Å
1388D57.6Low53.9Low40 Ų4075.6 Ų75.621%0.21439%0.388CS..Hα-helixtrans-64.1-37.3177.1-79.3-37.9000111.8R1345 V1384 N1392R1345-D1388 IonicContact CZ-OD1 3.24Å; R1345-D1388 VanDerWaalsContact CZ-OD1 3.24Å; R1345-D1388 IonicContact NH1-OD1 2.87Å; R1345-D1388 PolarHBondContact NH1-OD1 3.42Å; R1345-D1388 IonicContact NH1-OD2 3.6Å; R1345-D1388 PolarHBondContact NH1-OD2 2.9Å; R1345-D1388 IonicContact NH2-OD1 2.75Å; R1345-D1388 PolarHBondContact NH2-OD1 3.2Å; V1384-D1388 PolarHBondContact O-N 3.3Å; D1388-N1392 WeakPolarHBondContact O-CB 3.38Å; D1388-N1392 PolarHBondContact O-N 2.87Å; D1388-N1392 PolarHBondContact O-ND2 3.18Å
1389R62.2Low54.7Low152 Ų15277 Ų7757%0.57439%0.392SS*.Hα-helixtrans-66.6-41.7174.5-174.2174.5177.8-171.3-5.1112.1N1385 R1386 F1387 N1393N1385-R1389 WeakPolarHBondContact O-CB 3.36Å; N1385-R1389 PolarHBondContact O-N 3.29Å; R1386-R1389 PolarHBondContact O-N 3.39Å; F1387-R1389 VanDerWaalsContact C-N 3.34Å; F1387-R1389 PolarHBondContact O-N 3.17Å; R1389-N1393 WeakPolarHBondContact O-CB 3.5Å; R1389-N1393 VanDerWaalsContact O-CG 3.26Å; R1389-N1393 PolarHBondContact O-N 3.45Å; R1389-N1393 PolarHBondContact O-OD1 3.28Å
1390L60.7Low55.8Low60 Ų6074 Ų7431%0.31438%0.376SS..Hα-helixtrans-63.5-50.5175.9-179.267.2000110.9R1386 F1387 N1392 N1393 T1394R1386-L1390 VanDerWaalsContact O-CB 3.3Å; R1386-L1390 WeakPolarHBondContact O-CB 3.5Å; R1386-L1390 PolarHBondContact O-N 3.41Å; F1387-L1390 PolarHBondContact O-N 3.02Å; L1390-N1392 PolarHBondContact O-N 3Å; L1390-N1393 WeakPolarHBondContact O-CB 3.47Å; L1390-N1393 PolarHBondContact O-N 3.21Å; L1390-N1393 VanDerWaalsContact O-N 3.16Å; L1390-T1394 PolarHBondContact O-N 3.46Å; L1390-T1394 PolarHBondContact O-OG1 3.24Å
1391H62.1Low56.8Low71 Ų7169 Ų6933%0.32936%0.359SS..Hα-helixtrans-58.6-46.2179.3-17677.7000112F1387 T1394 I1395F1387-H1391 VanDerWaalsContact O-CB 3.25Å; F1387-H1391 WeakPolarHBondContact O-CB 3.3Å; F1387-H1391 PolarHBondContact O-N 3.5Å; H1391-T1394 PolarHBondContact O-N 2.99Å; H1391-I1395 WeakPolarHBondContact NE2-CD1 3.47Å; H1391-I1395 WeakPolarHBondContact O-CB 3.36Å; H1391-I1395 WeakPolarHBondContact O-CG1 3.33Å; H1391-I1395 PolarHBondContact O-N 2.95Å
1392N64.7Low57.5Low75 Ų7569.2 Ų69.240%0.40135%0.354SS..Hα-helixtrans-65.9-37.9175.5-76.5-63000112.7D1388 L1390 A1396D1388-N1392 WeakPolarHBondContact O-CB 3.38Å; D1388-N1392 PolarHBondContact O-N 2.87Å; D1388-N1392 PolarHBondContact O-ND2 3.18Å; L1390-N1392 PolarHBondContact O-N 3Å; N1392-A1396 WeakPolarHBondContact O-CB 3.37Å; N1392-A1396 PolarHBondContact O-N 3.34Å
1393N60.5Low57.8Low45 Ų4571.1 Ų71.124%0.24136%0.359CS..Hα-helixtrans-62.3-47.9173.6-81.93.1000111.5R1389 L1390 I1395 A1396 V1397R1389-N1393 WeakPolarHBondContact O-CB 3.5Å; R1389-N1393 VanDerWaalsContact O-CG 3.26Å; R1389-N1393 PolarHBondContact O-N 3.45Å; R1389-N1393 PolarHBondContact O-OD1 3.28Å; L1390-N1393 WeakPolarHBondContact O-CB 3.47Å; L1390-N1393 PolarHBondContact O-N 3.21Å; L1390-N1393 VanDerWaalsContact O-N 3.16Å; N1393-I1395 PolarHBondContact O-N 2.95Å; N1393-A1396 WeakPolarHBondContact O-CB 3.25Å; N1393-A1396 PolarHBondContact O-N 2.93Å; N1393-A1396 VanDerWaalsContact O-N 3.16Å; N1393-V1397 WeakPolarHBondContact O-CG2 3.43Å; N1393-V1397 PolarHBondContact O-N 3.43Å
1394T58.2Low58.5Low34 Ų3469.7 Ų69.721%0.20935%0.352CS..Hα-helixtrans-62-43178.6-59.50000111.5L1390 H1391 A1396 V1397 I1398 F1610L1390-T1394 PolarHBondContact O-N 3.46Å; L1390-T1394 PolarHBondContact O-OG1 3.24Å; H1391-T1394 PolarHBondContact O-N 2.99Å; T1394-A1396 VanDerWaalsContact C-N 3.33Å; T1394-A1396 PolarHBondContact O-N 3.16Å; T1394-V1397 PolarHBondContact O-N 3.13Å; T1394-I1398 HydrophobicContact CG2-CD1 3.97Å; T1394-I1398 WeakPolarHBondContact O-CG1 3.19Å; T1394-I1398 PolarHBondContact O-N 3.44Å; T1394-F1610 HydrophobicContact CG2-CE2 4.39Å; T1394-F1610 HydrophobicContact CG2-CZ 4.12Å
1395I62.5Low58.8Low62 Ų6269.3 Ų69.332%0.31836%0.355SS..Hα-helixtrans-60-42.6173.4-73.3171.6000111.3H1391 N1393 I1398 Q1399H1391-I1395 WeakPolarHBondContact NE2-CD1 3.47Å; H1391-I1395 WeakPolarHBondContact O-CB 3.36Å; H1391-I1395 WeakPolarHBondContact O-CG1 3.33Å; H1391-I1395 PolarHBondContact O-N 2.95Å; N1393-I1395 PolarHBondContact O-N 2.95Å; I1395-I1398 PolarHBondContact O-N 2.98Å; I1395-Q1399 HydrophobicContact CG2-CG 4.41Å; I1395-Q1399 VanDerWaalsContact CG2-NE2 3.28Å; I1395-Q1399 WeakPolarHBondContact O-CB 3.3Å; I1395-Q1399 VanDerWaalsContact O-CG 3.26Å; I1395-Q1399 WeakPolarHBondContact O-CG 3.23Å; I1395-Q1399 PolarHBondContact O-N 3.06Å
1396A55.5Low58.8Low54 Ų5471.3 Ų71.345%0.44636%0.356SS..Hα-helixtrans-65.3-38.717800000112.5N1392 N1393 T1394 Q1399 L1400N1392-A1396 WeakPolarHBondContact O-CB 3.37Å; N1392-A1396 PolarHBondContact O-N 3.34Å; N1393-A1396 WeakPolarHBondContact O-CB 3.25Å; N1393-A1396 PolarHBondContact O-N 2.93Å; N1393-A1396 VanDerWaalsContact O-N 3.16Å; T1394-A1396 VanDerWaalsContact C-N 3.33Å; T1394-A1396 PolarHBondContact O-N 3.16Å; A1396-Q1399 PolarHBondContact O-N 3.23Å; A1396-L1400 WeakPolarHBondContact O-CB 3.15Å; A1396-L1400 PolarHBondContact O-N 2.91Å
1397V58.5Low58.9Low31 Ų3171.1 Ų71.119%0.18836%0.355CS..Hα-helixtrans-64.1-48.1174.6169.70000110.9N1393 T1394 Q1399 L1400 L1401 F1606N1393-V1397 WeakPolarHBondContact O-CG2 3.43Å; N1393-V1397 PolarHBondContact O-N 3.43Å; T1394-V1397 PolarHBondContact O-N 3.13Å; V1397-Q1399 VanDerWaalsContact C-N 3.35Å; V1397-Q1399 PolarHBondContact O-N 2.94Å; V1397-L1400 PolarHBondContact O-N 3.01Å; V1397-L1400 VanDerWaalsContact O-N 3.16Å; V1397-L1401 HydrophobicContact CG1-CD1 3.74Å; V1397-L1401 HydrophobicContact CG1-CG 4.46Å; V1397-L1401 WeakPolarHBondContact O-CD1 3.47Å; V1397-L1401 VanDerWaalsContact O-CG 3.31Å; V1397-L1401 WeakPolarHBondContact O-CG 3.45Å; V1397-L1401 PolarHBondContact O-N 3.3Å; V1397-F1606 HydrophobicContact CG1-CE1 4.31Å
1398I59Low59.3Low82 Ų8269.7 Ų69.742%0.42135%0.351SS..Hα-helixtrans-59.2-45.7176.1-67166.4000110.5T1394 I1395 L1400 L1401 C1402T1394-I1398 HydrophobicContact CG2-CD1 3.97Å; T1394-I1398 WeakPolarHBondContact O-CG1 3.19Å; T1394-I1398 PolarHBondContact O-N 3.44Å; I1395-I1398 PolarHBondContact O-N 2.98Å; I1398-L1400 VanDerWaalsContact C-N 3.31Å; I1398-L1400 PolarHBondContact O-N 2.72Å; I1398-L1401 PolarHBondContact O-N 2.94Å; I1398-C1402 PolarHBondContact O-N 2.91Å; I1398-C1402 PolarHBondContact O-SG 2.84Å
1399Q57.8Low59Low113 Ų11369.2 Ų69.253%0.52835%0.352SS..Hα-helixtrans-60.9-36.6176.8-74.6178.118.800113.2I1395 A1396 V1397 Q1403I1395-Q1399 HydrophobicContact CG2-CG 4.41Å; I1395-Q1399 VanDerWaalsContact CG2-NE2 3.28Å; I1395-Q1399 WeakPolarHBondContact O-CB 3.3Å; I1395-Q1399 VanDerWaalsContact O-CG 3.26Å; I1395-Q1399 WeakPolarHBondContact O-CG 3.23Å; I1395-Q1399 PolarHBondContact O-N 3.06Å; A1396-Q1399 PolarHBondContact O-N 3.23Å; V1397-Q1399 VanDerWaalsContact C-N 3.35Å; V1397-Q1399 PolarHBondContact O-N 2.94Å; Q1399-Q1403 WeakPolarHBondContact O-CG 3.47Å; Q1399-Q1403 PolarHBondContact O-N 3.24Å; Q1399-Q1403 VanDerWaalsContact O-N 3.11Å
1400L60.8Low58.7Low47 Ų4766.2 Ų66.225%0.24635%0.347CS..Hα-helixtrans-68.7-44.1176-173.368.2000111.3A1396 V1397 I1398 Q1403 L1404 L1504 C1507A1396-L1400 WeakPolarHBondContact O-CB 3.15Å; A1396-L1400 PolarHBondContact O-N 2.91Å; V1397-L1400 PolarHBondContact O-N 3.01Å; V1397-L1400 VanDerWaalsContact O-N 3.16Å; I1398-L1400 VanDerWaalsContact C-N 3.31Å; I1398-L1400 PolarHBondContact O-N 2.72Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1403 PolarHBondContact O-N 3.47Å; L1400-Q1403 VanDerWaalsContact O-N 3.13Å; L1400-L1404 PolarHBondContact O-N 2.85Å; L1400-L1504 HydrophobicContact CD2-CD1 4.25Å; L1400-C1507 HydrophobicContact CD2-CB 4.07Å
1401L61.4Low58.4Low46 Ų4667.3 Ų67.324%0.24135%0.353CS..Hα-helixtrans-61.2-45.7176.5-68.9161.6000111.4V1397 I1398 Q1403 L1404 A1405 L1603V1397-L1401 HydrophobicContact CG1-CD1 3.74Å; V1397-L1401 HydrophobicContact CG1-CG 4.46Å; V1397-L1401 WeakPolarHBondContact O-CD1 3.47Å; V1397-L1401 VanDerWaalsContact O-CG 3.31Å; V1397-L1401 WeakPolarHBondContact O-CG 3.45Å; V1397-L1401 PolarHBondContact O-N 3.3Å; I1398-L1401 PolarHBondContact O-N 2.94Å; L1401-Q1403 VanDerWaalsContact C-N 3.27Å; L1401-Q1403 PolarHBondContact O-N 3.02Å; L1401-L1404 PolarHBondContact O-N 2.95Å; L1401-A1405 WeakPolarHBondContact O-CB 3.39Å; L1401-A1405 PolarHBondContact O-N 3.01Å; L1401-L1603 HydrophobicContact CD1-CD2 3.83Å; L1401-L1603 HydrophobicContact CD2-CD2 3.99Å; L1401-L1603 HydrophobicContact CD2-CG 4.34Å; L1401-L1603 HydrophobicContact CG-CD2 4.42Å
1402C57.1Low57.8Low46 Ų4666.3 Ų66.331%0.31135%0.35SS..Hα-helixtrans-60.9-33.7173.3-640000112.9I1398 R1406I1398-C1402 PolarHBondContact O-N 2.91Å; I1398-C1402 PolarHBondContact O-SG 2.84Å; C1402-R1406 WeakPolarHBondContact O-CB 3.33Å; C1402-R1406 WeakPolarHBondContact O-CD 3.31Å; C1402-R1406 WeakPolarHBondContact O-CG 3.45Å; C1402-R1406 PolarHBondContact O-N 3.48Å
1403Q59.6Low57Low91 Ų9164.4 Ų64.443%0.42535%0.348SS..Hα-helixtrans-72.1-40.8174.4-77.2-177.359.500112.1Q1399 L1400 L1401 R1406 R1407Q1399-Q1403 WeakPolarHBondContact O-CG 3.47Å; Q1399-Q1403 PolarHBondContact O-N 3.24Å; Q1399-Q1403 VanDerWaalsContact O-N 3.11Å; L1400-Q1403 WeakPolarHBondContact O-CB 3.49Å; L1400-Q1403 PolarHBondContact O-N 3.47Å; L1400-Q1403 VanDerWaalsContact O-N 3.13Å; L1401-Q1403 VanDerWaalsContact C-N 3.27Å; L1401-Q1403 PolarHBondContact O-N 3.02Å; Q1403-R1406 PolarHBondContact O-N 2.92Å; Q1403-R1407 WeakPolarHBondContact O-CG 3.49Å; Q1403-R1407 PolarHBondContact O-N 3.37Å
1404L61.8Low56.6Low44 Ų4466.2 Ų66.223%0.2336%0.355CS..Hα-helixtrans-62.1-49.1176.7-173.266.7000110.8L1400 L1401 R1406 R1407 L1408L1400-L1404 PolarHBondContact O-N 2.85Å; L1401-L1404 PolarHBondContact O-N 2.95Å; L1404-R1406 VanDerWaalsContact C-N 3.34Å; L1404-R1406 PolarHBondContact O-N 3.21Å; L1404-R1407 PolarHBondContact O-N 2.93Å; L1404-R1407 VanDerWaalsContact O-N 3.11Å; L1404-L1408 HydrophobicContact CG-CD1 4.16Å; L1404-L1408 WeakPolarHBondContact O-CG 3.41Å; L1404-L1408 PolarHBondContact O-N 3.05Å
1405A55.2Low56.5Low56 Ų5667 Ų6746%0.46336%0.357SS..Hα-helixtrans-57.6-43.3176.200000112.4L1401 R1407 L1408 A1409L1401-A1405 WeakPolarHBondContact O-CB 3.39Å; L1401-A1405 PolarHBondContact O-N 3.01Å; A1405-R1407 PolarHBondContact O-N 3.48Å; A1405-L1408 PolarHBondContact O-N 3.03Å; A1405-A1409 WeakPolarHBondContact O-CB 3.26Å; A1405-A1409 PolarHBondContact O-N 3.44Å
1406R54.3Low55.9Low139 Ų13971.5 Ų71.553%0.52537%0.371SS..Hα-helixtrans-62.6-40.3174.4-74.4171.3-170.3169.88.1112.8C1402 Q1403 L1404 I1410C1402-R1406 WeakPolarHBondContact O-CB 3.33Å; C1402-R1406 WeakPolarHBondContact O-CD 3.31Å; C1402-R1406 WeakPolarHBondContact O-CG 3.45Å; C1402-R1406 PolarHBondContact O-N 3.48Å; Q1403-R1406 PolarHBondContact O-N 2.92Å; L1404-R1406 VanDerWaalsContact C-N 3.34Å; L1404-R1406 PolarHBondContact O-N 3.21Å; R1406-I1410 WeakPolarHBondContact O-CD1 3.3Å; R1406-I1410 VanDerWaalsContact O-CG1 3.29Å; R1406-I1410 WeakPolarHBondContact O-CG1 3.42Å; R1406-I1410 PolarHBondContact O-N 3.42Å; R1406-I1410 VanDerWaalsContact O-N 3.12Å
1407R53.4Low55.2Low115 Ų11572.2 Ų72.243%0.43437%0.373SS..Hα-helixtrans-69.6-41.2177.6-71-175.2-166.8-150.212.5111.7Q1403 L1404 A1405 I1410 L1411Q1403-R1407 WeakPolarHBondContact O-CG 3.49Å; Q1403-R1407 PolarHBondContact O-N 3.37Å; L1404-R1407 PolarHBondContact O-N 2.93Å; L1404-R1407 VanDerWaalsContact O-N 3.11Å; A1405-R1407 PolarHBondContact O-N 3.48Å; R1407-I1410 PolarHBondContact O-N 2.93Å; R1407-L1411 PolarHBondContact O-N 3.46Å
1408L62.1Low54.5Low61 Ų6175.5 Ų75.532%0.31939%0.389SS..Hα-helixtrans-59.5-46.8174-72.2170.6000111.3L1404 A1405 I1410 L1411 D1412L1404-L1408 HydrophobicContact CG-CD1 4.16Å; L1404-L1408 WeakPolarHBondContact O-CG 3.41Å; L1404-L1408 PolarHBondContact O-N 3.05Å; A1405-L1408 PolarHBondContact O-N 3.03Å; L1408-I1410 VanDerWaalsContact C-N 3.3Å; L1408-I1410 PolarHBondContact O-N 3.35Å; L1408-L1411 CarbonylContact O-C 3.45Å; L1408-L1411 WeakPolarHBondContact O-CA 3.3Å; L1408-L1411 WeakPolarHBondContact O-CB 3.41Å; L1408-L1411 PolarHBondContact O-N 2.78Å; L1408-L1411 VanDerWaalsContact O-N 3.1Å; L1408-D1412 PolarHBondContact O-N 3.42Å
1409A52.6Low53.9Low29 Ų2974 Ų7424%0.2438%0.381CS..Hα-helixtrans-66.9-27.1177.600000114.1W1105 A1405 G1413W1105-A1409 HydrophobicContact CH2-CB 4Å; W1105-A1409 HydrophobicContact CZ2-CB 3.57Å; A1405-A1409 WeakPolarHBondContact O-CB 3.26Å; A1405-A1409 PolarHBondContact O-N 3.44Å; A1409-G1413 PolarHBondContact O-N 3.1Å
1410I54.1Low53.4Low89 Ų8973.1 Ų73.146%0.45638%0.376SS..Hα-helixtrans-71.5-42.6170.1-70.8165.1000110.3R1406 R1407 L1408 G1413 Q1414R1406-I1410 WeakPolarHBondContact O-CD1 3.3Å; R1406-I1410 VanDerWaalsContact O-CG1 3.29Å; R1406-I1410 WeakPolarHBondContact O-CG1 3.42Å; R1406-I1410 PolarHBondContact O-N 3.42Å; R1406-I1410 VanDerWaalsContact O-N 3.12Å; R1407-I1410 PolarHBondContact O-N 2.93Å; L1408-I1410 VanDerWaalsContact C-N 3.3Å; L1408-I1410 PolarHBondContact O-N 3.35Å; I1410-G1413 PolarHBondContact O-N 3Å; I1410-Q1414 WeakPolarHBondContact O-CB 3.42Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.11Å; I1410-Q1414 PolarHBondContact O-N 3.39Å
1411L54.9Low52.5Low84 Ų8475.1 Ų75.144%0.4439%0.387SS..Hα-helixtrans-59.6-45173-95.4159.8000111.5R1407 L1408 G1413 Q1414 L1415R1407-L1411 PolarHBondContact O-N 3.46Å; L1408-L1411 CarbonylContact O-C 3.45Å; L1408-L1411 WeakPolarHBondContact O-CA 3.3Å; L1408-L1411 WeakPolarHBondContact O-CB 3.41Å; L1408-L1411 PolarHBondContact O-N 2.78Å; L1408-L1411 VanDerWaalsContact O-N 3.1Å; L1411-G1413 PolarHBondContact O-N 3.24Å; L1411-Q1414 PolarHBondContact O-N 3.07Å; L1411-L1415 WeakPolarHBondContact O-CB 3.43Å; L1411-L1415 PolarHBondContact O-N 2.86Å
1412D50Low51.7Low49 Ų4976.3 Ų76.326%0.26239%0.391SS..Hα-helixtrans-58.7-46.5173.2-74.9-49.7000112.4L1408 Q1414 L1415 Y1416 R1596L1408-D1412 PolarHBondContact O-N 3.42Å; D1412-Q1414 VanDerWaalsContact C-N 3.3Å; D1412-Q1414 PolarHBondContact O-N 3.37Å; D1412-L1415 PolarHBondContact O-N 3Å; D1412-Y1416 VanDerWaalsContact O-CB 3.25Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.13Å; D1412-Y1416 PolarHBondContact O-N 3.31Å; D1412-R1596 IonicContact OD1-CZ 3.24Å; D1412-R1596 IonicContact OD1-NH1 2.82Å; D1412-R1596 PolarHBondContact OD1-NH1 2.81Å; D1412-R1596 IonicContact OD1-NH2 3.59Å; D1412-R1596 PolarHBondContact OD1-NH2 2.89Å; D1412-R1596 IonicContact OD2-CZ 3.29Å; D1412-R1596 IonicContact OD2-NH1 2.74Å; D1412-R1596 PolarHBondContact OD2-NH1 2.93Å; D1412-R1596 IonicContact OD2-NH2 3Å
1413G48Very low50.7Low35 Ų3580.2 Ų80.236%0.36140%0.4SS..Hα-helixtrans-61.8-38.6176.800000112.3A1409 I1410 L1411 C1417A1409-G1413 PolarHBondContact O-N 3.1Å; I1410-G1413 PolarHBondContact O-N 3Å; L1411-G1413 PolarHBondContact O-N 3.24Å; G1413-C1417 WeakPolarHBondContact O-CB 3.19Å; G1413-C1417 PolarHBondContact O-N 2.93Å; G1413-C1417 VanDerWaalsContact O-N 3.08Å; G1413-C1417 PolarHBondContact O-SG 3.38Å
1414Q52Low49.6Very low83 Ų8380 Ų8039%0.38840%0.402SS..Hα-helixtrans-69.7-44.3174.7-73.7177-4.900111.9I1410 L1411 D1412 C1417 L1418I1410-Q1414 WeakPolarHBondContact O-CB 3.42Å; I1410-Q1414 WeakPolarHBondContact O-CG 3.11Å; I1410-Q1414 PolarHBondContact O-N 3.39Å; L1411-Q1414 PolarHBondContact O-N 3.07Å; D1412-Q1414 VanDerWaalsContact C-N 3.3Å; D1412-Q1414 PolarHBondContact O-N 3.37Å; Q1414-C1417 PolarHBondContact O-N 2.78Å; Q1414-L1418 WeakPolarHBondContact O-CB 3.33Å; Q1414-L1418 VanDerWaalsContact O-CG 3.28Å; Q1414-L1418 WeakPolarHBondContact O-CG 3.48Å; Q1414-L1418 PolarHBondContact O-N 2.82Å
1415L55.8Low48.5Very low50 Ų5082 Ų8226%0.26241%0.413SS..Hα-helixtrans-65-40.9178.9-153.478.8000111.4L1411 D1412 L1418 N1419 I1588 T1592L1411-L1415 WeakPolarHBondContact O-CB 3.43Å; L1411-L1415 PolarHBondContact O-N 2.86Å; D1412-L1415 PolarHBondContact O-N 3Å; L1415-L1418 PolarHBondContact O-N 3.45Å; L1415-N1419 WeakPolarHBondContact O-CB 3.37Å; L1415-N1419 PolarHBondContact O-N 3.48Å; L1415-I1588 HydrophobicContact CD1-CG2 4.4Å; L1415-I1588 HydrophobicContact CD2-CG2 4.31Å; L1415-T1592 HydrophobicContact CD2-CG2 4.3Å
1416Y50.5Low47.5Very low157 Ų15782.7 Ų82.762%0.61641%0.409SS*.Hα-helixtrans-63.7-41173.4-178.5-95.8000112.1D1412 K1420D1412-Y1416 VanDerWaalsContact O-CB 3.25Å; D1412-Y1416 WeakPolarHBondContact O-CB 3.13Å; D1412-Y1416 PolarHBondContact O-N 3.31Å; Y1416-K1420 HydrophobicContact CE1-CD 4.33Å; Y1416-K1420 VanDerWaalsContact O-CB 3.23Å; Y1416-K1420 WeakPolarHBondContact O-CB 3.41Å; Y1416-K1420 PolarHBondContact O-N 2.87Å
1417C39.4Very low46.7Very low70 Ų7080.5 Ų80.547%0.47341%0.411SS..Hα-helixtrans-69.1-38174.5-68.20000112.5G1413 Q1414 K1420 N1421G1413-C1417 WeakPolarHBondContact O-CB 3.19Å; G1413-C1417 PolarHBondContact O-N 2.93Å; G1413-C1417 VanDerWaalsContact O-N 3.08Å; G1413-C1417 PolarHBondContact O-SG 3.38Å; Q1414-C1417 PolarHBondContact O-N 2.78Å; C1417-K1420 PolarHBondContact O-N 2.78Å; C1417-N1421 WeakPolarHBondContact O-CB 3.33Å; C1417-N1421 PolarHBondContact O-N 3.31Å; C1417-N1421 PolarHBondContact O-OD1 3.34Å
1418L44.7Very low45.9Very low100 Ų10080.6 Ų80.652%0.52442%0.419SS..Hα-helixtrans-64.9-49176.3-76.8165000111.2Q1414 L1415 K1420 N1421 Q1422Q1414-L1418 WeakPolarHBondContact O-CB 3.33Å; Q1414-L1418 VanDerWaalsContact O-CG 3.28Å; Q1414-L1418 WeakPolarHBondContact O-CG 3.48Å; Q1414-L1418 PolarHBondContact O-N 2.82Å; L1415-L1418 PolarHBondContact O-N 3.45Å; L1418-K1420 VanDerWaalsContact C-N 3.35Å; L1418-K1420 PolarHBondContact O-N 3.04Å; L1418-N1421 PolarHBondContact O-N 2.95Å; L1418-Q1422 PolarHBondContact O-N 2.99Å
1419N45.9Very low44.6Very low49 Ų4982.9 Ų82.926%0.26243%0.43SS..Hα-helixtrans-59.7-45.1173.4-79.314.6000110.9L1415 N1421 Q1422 Y1423L1415-N1419 WeakPolarHBondContact O-CB 3.37Å; L1415-N1419 PolarHBondContact O-N 3.48Å; N1419-N1421 VanDerWaalsContact C-N 3.3Å; N1419-N1421 PolarHBondContact O-N 2.8Å; N1419-Q1422 PolarHBondContact O-N 3.17Å; N1419-Y1423 WeakPolarHBondContact O-CB 3.44Å; N1419-Y1423 WeakPolarHBondContact O-CD2 3.41Å; N1419-Y1423 PolarHBondContact O-N 3.16Å
1420K47.4Very low43.6Very low95 Ų9587.6 Ų87.641%0.41345%0.451SS..Hα-helixtrans-66-31.9180-169170.7-175.7176.40113.2Y1416 C1417 L1418 N1424Y1416-K1420 HydrophobicContact CE1-CD 4.33Å; Y1416-K1420 VanDerWaalsContact O-CB 3.23Å; Y1416-K1420 WeakPolarHBondContact O-CB 3.41Å; Y1416-K1420 PolarHBondContact O-N 2.87Å; C1417-K1420 PolarHBondContact O-N 2.78Å; L1418-K1420 VanDerWaalsContact C-N 3.35Å; L1418-K1420 PolarHBondContact O-N 3.04Å; K1420-N1424 PolarHBondContact O-N 3Å
1421N43.2Very low42.5Very low89 Ų8988.2 Ų88.248%0.47646%0.462SS..Hα-helixtrans-73-48.2173.1-71.33.8000110.8C1417 L1418 N1419 Y1423 N1424 D1425C1417-N1421 WeakPolarHBondContact O-CB 3.33Å; C1417-N1421 PolarHBondContact O-N 3.31Å; C1417-N1421 PolarHBondContact O-OD1 3.34Å; L1418-N1421 PolarHBondContact O-N 2.95Å; N1419-N1421 VanDerWaalsContact C-N 3.3Å; N1419-N1421 PolarHBondContact O-N 2.8Å; N1421-Y1423 VanDerWaalsContact C-N 3.28Å; N1421-Y1423 PolarHBondContact O-N 3.34Å; N1421-N1424 CarbonylContact O-C 3.5Å; N1421-N1424 WeakPolarHBondContact O-CA 3.23Å; N1421-N1424 WeakPolarHBondContact O-CB 3.36Å; N1421-N1424 PolarHBondContact O-N 2.84Å; N1421-D1425 VanDerWaalsContact O-CG 3.25Å; N1421-D1425 PolarHBondContact O-N 3.19Å
1422Q44.6Very low41.2Very low72 Ų7290.6 Ų90.634%0.33648%0.476SS..Hα-helixtrans-61-32.9174.5-79.4-172.2-34.500113.3L1418 N1419 N1424 N1426L1418-Q1422 PolarHBondContact O-N 2.99Å; N1419-Q1422 PolarHBondContact O-N 3.17Å; Q1422-N1424 VanDerWaalsContact C-N 3.27Å; Q1422-N1424 PolarHBondContact O-N 3.49Å; Q1422-N1426 WeakPolarHBondContact O-CA 3.41Å; Q1422-N1426 WeakPolarHBondContact O-CB 3.17Å; Q1422-N1426 PolarHBondContact O-N 3.01Å; Q1422-N1426 PolarHBondContact O-ND2 3.5Å
1423Y35.5Very low40.2Very low127 Ų12793 Ų9350%0.49850%0.496SS..Hα-helixtrans-71.6-16.6171.7-94.1-91.2000113.9N1419 N1421 V1427 F1582N1419-Y1423 WeakPolarHBondContact O-CB 3.44Å; N1419-Y1423 WeakPolarHBondContact O-CD2 3.41Å; N1419-Y1423 PolarHBondContact O-N 3.16Å; N1421-Y1423 VanDerWaalsContact C-N 3.28Å; N1421-Y1423 PolarHBondContact O-N 3.34Å; Y1423-V1427 WeakPolarHBondContact O-CB 3.4Å; Y1423-V1427 WeakPolarHBondContact O-CG2 3.38Å; Y1423-F1582 WeakPolarHBondContact OH-CE1 3.28Å
1424N37.3Very low39.3Very low88 Ų8898.4 Ų98.447%0.47152%0.517SS..Hα-helixtrans-87.1-52.5166.7-73.5-14.6000110.1K1420 N1421 Q1422 N1426 V1427 I1428K1420-N1424 PolarHBondContact O-N 3Å; N1421-N1424 CarbonylContact O-C 3.5Å; N1421-N1424 WeakPolarHBondContact O-CA 3.23Å; N1421-N1424 WeakPolarHBondContact O-CB 3.36Å; N1421-N1424 PolarHBondContact O-N 2.84Å; Q1422-N1424 VanDerWaalsContact C-N 3.27Å; Q1422-N1424 PolarHBondContact O-N 3.49Å; N1424-N1426 PolarHBondContact O-N 2.67Å; N1424-V1427 PolarHBondContact O-N 3.23Å; N1424-I1428 WeakPolarHBondContact O-CB 3.28Å; N1424-I1428 VanDerWaalsContact O-CG1 3.26Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; N1424-I1428 PolarHBondContact O-N 3.09Å
1425D37.7Very low38.3Very low86 Ų86101.7 Ų101.746%0.4654%0.537SS..Hα-helixtrans-64.9-42.8-173-58.6-30.1000111.3N1421 V1427 I1428 L1429N1421-D1425 VanDerWaalsContact O-CG 3.25Å; N1421-D1425 PolarHBondContact O-N 3.19Å; D1425-V1427 PolarHBondContact O-N 3.38Å; D1425-I1428 PolarHBondContact O-N 3.29Å; D1425-L1429 WeakPolarHBondContact O-CB 3.08Å; D1425-L1429 WeakPolarHBondContact O-CG 3.31Å; D1425-L1429 PolarHBondContact O-N 3.13Å
1426N33.7Very low37.1Very low70 Ų70106.8 Ų106.837%0.37457%0.565SS.*Hα-helixtrans-70.5-30.7175.9-62.2-9.1000112.4Q1422 N1424 L1429 L1430Q1422-N1426 WeakPolarHBondContact O-CA 3.41Å; Q1422-N1426 WeakPolarHBondContact O-CB 3.17Å; Q1422-N1426 PolarHBondContact O-N 3.01Å; Q1422-N1426 PolarHBondContact O-ND2 3.5Å; N1424-N1426 PolarHBondContact O-N 2.67Å; N1426-L1429 PolarHBondContact O-N 3.48Å; N1426-L1430 WeakPolarHBondContact O-CB 3.41Å; N1426-L1430 PolarHBondContact O-N 2.95Å
1427V37.3Very low36.1Very low93 Ų93105.1 Ų105.156%0.56457%0.573SS**Hα-helixtrans-76.9-25.3175.2171.30000111.6Y1423 N1424 D1425 C1431Y1423-V1427 WeakPolarHBondContact O-CB 3.4Å; Y1423-V1427 WeakPolarHBondContact O-CG2 3.38Å; N1424-V1427 PolarHBondContact O-N 3.23Å; D1425-V1427 PolarHBondContact O-N 3.38Å; V1427-C1431 PolarHBondContact O-SG 2.91Å
1428I36.9Very low35.6Very low117 Ų117110.3 Ų110.360%0.660%0.595SS**Hα-helixtrans-76.5-35169.8-70.4164.8000110.7N1424 D1425N1424-I1428 WeakPolarHBondContact O-CB 3.28Å; N1424-I1428 VanDerWaalsContact O-CG1 3.26Å; N1424-I1428 WeakPolarHBondContact O-CG1 3.37Å; N1424-I1428 PolarHBondContact O-N 3.09Å; D1425-I1428 PolarHBondContact O-N 3.29Å
1429L34.3Very low34.8Very low108 Ų108113.2 Ų113.257%0.56561%0.61SS**Hα-helixtrans-78.7-36.7179.1-75.9164.5000114.2D1425 N1426 C1431 N1432D1425-L1429 WeakPolarHBondContact O-CB 3.08Å; D1425-L1429 WeakPolarHBondContact O-CG 3.31Å; D1425-L1429 PolarHBondContact O-N 3.13Å; N1426-L1429 PolarHBondContact O-N 3.48Å; L1429-C1431 PolarHBondContact O-N 3.16Å; L1429-N1432 PolarHBondContact O-N 3.44Å
1430L32.9Very low34.1Very low128 Ų128116 Ų11667%0.6763%0.631SS**THydrogen-bonded Turntrans-70.2-10.5-176.9-122.172.2000114.9N1426 L1578N1426-L1430 WeakPolarHBondContact O-CB 3.41Å; N1426-L1430 PolarHBondContact O-N 2.95Å; L1430-L1578 HydrophobicContact CD1-CD1 4.39Å
1431C29.9Very low33Very low103 Ų103119.9 Ų119.970%0.69664%0.644SS**THydrogen-bonded Turntrans-86.7-8.5178.9-68.30000113.8V1427 L1429 S1433V1427-C1431 PolarHBondContact O-SG 2.91Å; L1429-C1431 PolarHBondContact O-N 3.16Å; C1431-S1433 PolarHBondContact O-N 3.48Å
1432N28.8Very low32.2Very low134 Ų134119.8 Ų119.872%0.71764%0.644SS**  trans-93.673.4-179.9-77.9-18000111.6L1429L1429-N1432 PolarHBondContact O-N 3.44Å
1433S28.6Very low31.5Very low99 Ų99119.1 Ų119.169%0.69264%0.64SS**SBendtrans-154.1108.3168.6-78.10000111.8C1431C1431-S1433 PolarHBondContact O-N 3.48Å
1434N28.9Very low31.2Very low148 Ų148121.9 Ų121.979%0.79165%0.651SS**SBendtrans58.275.1164.2-52.3-23.8000116.9
1435N30.8Very low30.7Very low152 Ų152123 Ų12381%0.81366%0.661SS**SBend169.3137.6113.9-79.5-22.7000111.7
1436D31.2Very low30.4Very low158 Ų158125.2 Ų125.285%0.84568%0.678SS**  trans55.4129.9171.8-61-38.3000119.6
1437P29.4Very low30.3Very low122 Ų122126.9 Ų126.979%0.79270%0.695SS**  trans-94.3150.9-174.136.8-35.3000113.8
1438L29.2Very low29.9Very low179 Ų179129.7 Ų129.794%0.93771%0.706SS**  trans-156.2151.8148.7-111.5168.2000111.8
1439L28Very low29.7Very low161 Ų161129.5 Ų129.584%0.84371%0.711SS**  trans-89.7162.8-166.1-80.6165.3000114.2
1440P30.6Very low29.5Very low106 Ų106130.6 Ų130.669%0.68872%0.717SS**  trans-88-163.2-177.738.4-38.9000113.5
1441Y25.3Very low29.5Very low178 Ų178130.7 Ų130.770%0.69872%0.718SS**  trans88.2110.6160.9-106-118.1000120.3
1442N25.8Very low29.6Very low87 Ų87131.6 Ų131.647%0.46572%0.721SS.*  trans63.4167.1139.7-70.6-7.2000123.2T1161T1161-N1442 WeakPolarHBondContact CA-O 3.48Å; T1161-N1442 PolarHBondContact N-O 3.48Å
1443H28.7Very low29.5Very low57 Ų57131 Ų13126%0.26472%0.724SS.*  trans103.9171.9140.3-63.1-67.9000121.5T1161 T1162T1161-H1443 VanDerWaalsContact C-CB 3.48Å; T1162-H1443 VanDerWaalsContact N-CB 3.29Å
1444Y29.1Very low29.7Very low186 Ų186135.3 Ų135.373%0.72973%0.73SS**  trans-87.8135.4-160.8-68.5-116.2000113.7T1161T1161-Y1444 CarbonylContact O-C 3.55Å
1445T28Very low29.7Very low110 Ų110134.4 Ų134.468%0.67573%0.73SS**  trans-70.5148.5146.257.90000109.3
1446T30.4Very low29.7Very low133 Ų133134.5 Ų134.582%0.81673%0.73SS**  cis-149.216939.944.80000114.8
1447S31.5Very low29.4Very low105 Ų105131.3 Ų131.373%0.73472%0.72SS**  trans89.695.3167.7-159.10000116
1448L30.6Very low29.3Very low153 Ų153132.2 Ų132.280%0.80172%0.718SS**  58.3126.987.4-97.470.7000112.9
1449T32.3Very low29.5Very low113 Ų113132 Ų13269%0.69371%0.711SS**  cis-151.3156.440.135.10000116
1450N30.6Very low29.7Very low130 Ų130130.2 Ų130.270%0.69570%0.702SS**  trans77132.3141.4-78.643.3000124.8
1451D32Very low29.6Very low130 Ų130133 Ų13370%0.69571%0.71SS**  trans8294.3137.5-53.4-20.4000123.7
1452T32.3Very low29.8Very low122 Ų122131.1 Ų131.175%0.74871%0.713SS**  trans73.3114.4135.1-35.60000121
1453P26.4Very low30.3Very low122 Ų122133.9 Ų133.979%0.79273%0.727SS**  trans-95.3139.9170.335.8-31.8000113.9
1454K32.4Very low30.5Very low189 Ų189140.3 Ų140.382%0.82276%0.755SS**  trans-147.1113.5163.2-87.5-172.3177.2175.30112.9
1455T28.7Very low30.8Very low129 Ų129138.9 Ų138.979%0.79176%0.76SS**  37.2148.9129.4-23.30000122
1456I30.5Very low31.3Very low155 Ų155140.1 Ų140.180%0.79576%0.762SS**  trans85.2112.5168.5-51.5166.9000112.3
1457S26.7Very low31.6Very low91 Ų91141.8 Ų141.864%0.63676%0.758SS**  cis88.2124.931.3-168.80000115
1458N27.3Very low32.1Very low140 Ų140143.5 Ų143.575%0.74976%0.759SS**  trans62.575.3159.2-58.6-4.4000118.8
1459H31.9Very low32.3Very low175 Ų175143.2 Ų143.281%0.8176%0.758SS**  trans-114.8115.6133-88.9-110.8000106.7
1460L32Very low32.6Very low124 Ų124145.2 Ų145.265%0.64977%0.765SS**  58.596.284.6-64167000109
1461L29.9Very low33.3Very low163 Ų163145.7 Ų145.785%0.85377%0.767SS**  cis57.255.234.1-156.1127.3000112.6
1462N29.9Very low33.8Very low140 Ų140146.5 Ų146.575%0.74977%0.772SS**  trans-161.4111.3150.3-89.8-40.6000105.9
1463D35.2Very low34.4Very low145 Ų145146.3 Ų146.378%0.77577%0.766SS**  trans146.2119.2168.4-857.3000108.2
1464F33.2Very low35.2Very low192 Ų192149.3 Ų149.384%0.84276%0.762SS**  cis-147.2157.3-23.3-111.1-73.2000107.5D1466F1464-D1466 PolarHBondContact O-N 2.98Å
1465N34.4Very low35.8Very low156 Ų156146.6 Ų146.683%0.83476%0.756SS**  trans-78.9118.1178.1-72.5-50.9000112.3
1466D38.7Very low36.5Very low135 Ų135142.4 Ų142.472%0.72273%0.732SS**  trans-170119136.1-95.8-32.4000107F1464F1464-D1466 PolarHBondContact O-N 2.98Å
1467K38.3Very low37.3Very low169 Ų169140.7 Ų140.774%0.73572%0.721SS**  65.1123.686.8-71.3-168.4-177.9172.90114.1
1468D41.1Very low38.1Very low140 Ų140139.3 Ų139.375%0.74971%0.71SS**  cis-142.1168.9-0.4-88.4-50.1000110.7
1469N34.4Very low39.6Very low148 Ų148138.4 Ų138.479%0.79170%0.702SS**  trans-70.4141.6-171.4-55.2-57.6000114.1
1470D39.3Very low41.2Very low155 Ų155134.8 Ų134.883%0.82969%0.688SS**  trans-163.118.2161.4-121.9-6.9000116.1
1471N45Very low43.1Very low139 Ų139132.2 Ų132.274%0.74368%0.68SS**SBendtrans-119-13.1-167.8-89.4-50.2000118.4
1472D42.8Very low45Very low148 Ų148129.5 Ų129.579%0.79166%0.663SS**THydrogen-bonded Turntrans-79.5-18.8-176.7-69.1-40.1000114.1W1474D1472-W1474 VanDerWaalsContact C-N 3.28Å; D1472-W1474 PolarHBondContact O-N 3.16Å
1473D43.6Very low46.9Very low117 Ų117126.6 Ų126.663%0.62665%0.647SS**Hα-helixtrans-76.1-10.1-172.4-126.78.9000114.1S1476 Q1477D1473-S1476 WeakPolarHBondContact CA-OG 3.32Å; D1473-S1476 PolarHBondContact O-OG 3.43Å; D1473-S1476 PolarHBondContact OD1-OG 3Å; D1473-Q1477 WeakPolarHBondContact O-CB 3.39Å; D1473-Q1477 PolarHBondContact O-N 3.25Å
1474W43.9Very low48.8Very low186 Ų186122.8 Ų122.871%0.70563%0.626SS**Hα-helixtrans-72.4-30.4178.7-82.682.1000113.4D1472 C1478D1472-W1474 VanDerWaalsContact C-N 3.28Å; D1472-W1474 PolarHBondContact O-N 3.16Å; W1474-C1478 WeakPolarHBondContact O-CB 3.45Å; W1474-C1478 PolarHBondContact O-N 2.79Å
1475N44.3Very low50.7Low131 Ų131117.9 Ų117.970%0.70161%0.606SS**Hα-helixtrans-75.5-45.9174.2-95.3-13.3000111.3Q1477 C1478 E1479N1475-Q1477 VanDerWaalsContact C-N 3.27Å; N1475-Q1477 PolarHBondContact O-N 2.94Å; N1475-C1478 WeakPolarHBondContact O-CB 3.49Å; N1475-C1478 PolarHBondContact O-N 2.98Å; N1475-E1479 PolarHBondContact O-N 2.97Å
1476S44.6Very low52.5Low42 Ų42116 Ų11629%0.29459%0.592SS.*Hα-helixtrans-59.2-39.4177.370.40000111.3D1473 E1479 L1480D1473-S1476 WeakPolarHBondContact CA-OG 3.32Å; D1473-S1476 PolarHBondContact O-OG 3.43Å; D1473-S1476 PolarHBondContact OD1-OG 3Å; S1476-E1479 PolarHBondContact O-N 3.41Å; S1476-L1480 VanDerWaalsContact O-CB 3.23Å; S1476-L1480 WeakPolarHBondContact O-CB 3.46Å; S1476-L1480 PolarHBondContact O-N 2.87Å
1477Q47.7Very low54.1Low118 Ų118114.6 Ų114.655%0.55158%0.581SS**Hα-helixtrans-71-28.6176.8-167.6169.763.300113D1473 N1475 S1481D1473-Q1477 WeakPolarHBondContact O-CB 3.39Å; D1473-Q1477 PolarHBondContact O-N 3.25Å; N1475-Q1477 VanDerWaalsContact C-N 3.27Å; N1475-Q1477 PolarHBondContact O-N 2.94Å; Q1477-S1481 VanDerWaalsContact O-CB 3.26Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.49Å; Q1477-S1481 PolarHBondContact O-N 2.88Å; Q1477-S1481 PolarHBondContact O-OG 2.75Å
1478C43Very low56.1Low62 Ų62112.6 Ų112.642%0.41957%0.572SS.*Hα-helixtrans-69.7-48.4172.1-1720000111.6W1474 N1475 S1481 Q1482W1474-C1478 WeakPolarHBondContact O-CB 3.45Å; W1474-C1478 PolarHBondContact O-N 2.79Å; N1475-C1478 WeakPolarHBondContact O-CB 3.49Å; N1475-C1478 PolarHBondContact O-N 2.98Å; C1478-S1481 WeakPolarHBondContact O-CB 3.48Å; C1478-S1481 PolarHBondContact O-N 3.12Å; C1478-Q1482 WeakPolarHBondContact O-CG 3.49Å; C1478-Q1482 PolarHBondContact O-N 2.97Å
1479E57.5Low57.6Low122 Ų122112.7 Ų112.757%0.5756%0.562SS**Hα-helixtrans-62-46.7176-68.9-175159.800111.6N1475 S1476 S1481 Q1482 I1483N1475-E1479 PolarHBondContact O-N 2.97Å; S1476-E1479 PolarHBondContact O-N 3.41Å; E1479-S1481 VanDerWaalsContact C-N 3.26Å; E1479-S1481 PolarHBondContact O-N 2.77Å; E1479-Q1482 WeakPolarHBondContact O-CB 3.41Å; E1479-Q1482 PolarHBondContact O-N 3.16Å; E1479-Q1482 VanDerWaalsContact O-N 3.09Å; E1479-I1483 WeakPolarHBondContact O-CG1 3.4Å; E1479-I1483 PolarHBondContact O-N 2.94Å
1480L66.1Low59.6Low98 Ų98110.5 Ų110.551%0.51355%0.55SS..Hα-helixtrans-59.6-38175.8-175.964.1000111.7S1476 I1483 I1484S1476-L1480 VanDerWaalsContact O-CB 3.23Å; S1476-L1480 WeakPolarHBondContact O-CB 3.46Å; S1476-L1480 PolarHBondContact O-N 2.87Å; L1480-I1483 PolarHBondContact O-N 3.36Å; L1480-I1484 HydrophobicContact CD1-CD1 4.21Å; L1480-I1484 HydrophobicContact CD1-CG1 4.5Å; L1480-I1484 HydrophobicContact CG-CD1 3.94Å; L1480-I1484 WeakPolarHBondContact O-CB 3.33Å; L1480-I1484 WeakPolarHBondContact O-CD1 3.45Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.43Å; L1480-I1484 PolarHBondContact O-N 2.95Å
1481S71.7Confident61.2Low70 Ų70107.3 Ų107.349%0.4953%0.532SS..Hα-helixtrans-65-41.4174.8-65.20000112.1Q1477 C1478 E1479 I1484 E1485Q1477-S1481 VanDerWaalsContact O-CB 3.26Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.49Å; Q1477-S1481 PolarHBondContact O-N 2.88Å; Q1477-S1481 PolarHBondContact O-OG 2.75Å; C1478-S1481 WeakPolarHBondContact O-CB 3.48Å; C1478-S1481 PolarHBondContact O-N 3.12Å; E1479-S1481 VanDerWaalsContact C-N 3.26Å; E1479-S1481 PolarHBondContact O-N 2.77Å; S1481-I1484 PolarHBondContact O-N 3.01Å; S1481-E1485 WeakPolarHBondContact O-CB 3.03Å; S1481-E1485 PolarHBondContact O-N 3.43Å
1482Q69.4Low62.6Low106 Ų106105.2 Ų105.250%0.49552%0.52SS..Hα-helixtrans-65.7-43.9175.1-70179.565.800112C1478 E1479 I1484 E1485 Q1486C1478-Q1482 WeakPolarHBondContact O-CG 3.49Å; C1478-Q1482 PolarHBondContact O-N 2.97Å; E1479-Q1482 WeakPolarHBondContact O-CB 3.41Å; E1479-Q1482 PolarHBondContact O-N 3.16Å; E1479-Q1482 VanDerWaalsContact O-N 3.09Å; Q1482-I1484 VanDerWaalsContact C-N 3.34Å; Q1482-I1484 PolarHBondContact O-N 2.97Å; Q1482-E1485 WeakPolarHBondContact O-CB 3.48Å; Q1482-E1485 PolarHBondContact O-N 3.21Å; Q1482-E1485 VanDerWaalsContact O-N 3.12Å; Q1482-Q1486 WeakPolarHBondContact O-CG 3.5Å; Q1482-Q1486 PolarHBondContact O-N 2.57Å
1483I71.5Confident63.8Low80 Ų80101.7 Ų101.741%0.4150%0.498SS..Hα-helixtrans-61.4-43176-68164.7000110.6E1479 L1480 E1485 Q1486 Q1487E1479-I1483 WeakPolarHBondContact O-CG1 3.4Å; E1479-I1483 PolarHBondContact O-N 2.94Å; L1480-I1483 PolarHBondContact O-N 3.36Å; I1483-E1485 VanDerWaalsContact C-N 3.32Å; I1483-E1485 PolarHBondContact O-N 3.42Å; I1483-Q1486 PolarHBondContact O-N 3.29Å; I1483-Q1487 WeakPolarHBondContact O-CB 3.34Å; I1483-Q1487 WeakPolarHBondContact O-CG 3.11Å; I1483-Q1487 PolarHBondContact O-N 3.39Å
1484I74.3Confident65.1Low64 Ų64100.2 Ų100.233%0.32849%0.49SS..Hα-helixtrans-64.4-35.1174.7-72.4168.3000111.5L1480 S1481 Q1482 K1488L1480-I1484 HydrophobicContact CD1-CD1 4.21Å; L1480-I1484 HydrophobicContact CD1-CG1 4.5Å; L1480-I1484 HydrophobicContact CG-CD1 3.94Å; L1480-I1484 WeakPolarHBondContact O-CB 3.33Å; L1480-I1484 WeakPolarHBondContact O-CD1 3.45Å; L1480-I1484 WeakPolarHBondContact O-CG1 3.43Å; L1480-I1484 PolarHBondContact O-N 2.95Å; S1481-I1484 PolarHBondContact O-N 3.01Å; Q1482-I1484 VanDerWaalsContact C-N 3.34Å; Q1482-I1484 PolarHBondContact O-N 2.97Å; I1484-K1488 HydrophobicContact CG2-CD 4.13Å; I1484-K1488 VanDerWaalsContact CG2-CE 3.5Å; I1484-K1488 WeakPolarHBondContact O-CB 3.2Å; I1484-K1488 WeakPolarHBondContact O-CD 3.35Å; I1484-K1488 WeakPolarHBondContact O-CG 3.49Å; I1484-K1488 PolarHBondContact O-N 3.03Å
1485E74Confident66.5Low90 Ų9097.8 Ų97.842%0.42148%0.484SS..Hα-helixtrans-68.5-43.2174.6-134-108.4115.800111.6S1481 Q1482 I1483 K1488 R1489S1481-E1485 WeakPolarHBondContact O-CB 3.03Å; S1481-E1485 PolarHBondContact O-N 3.43Å; Q1482-E1485 WeakPolarHBondContact O-CB 3.48Å; Q1482-E1485 PolarHBondContact O-N 3.21Å; Q1482-E1485 VanDerWaalsContact O-N 3.12Å; I1483-E1485 VanDerWaalsContact C-N 3.32Å; I1483-E1485 PolarHBondContact O-N 3.42Å; E1485-K1488 PolarHBondContact O-N 2.9Å; E1485-R1489 VanDerWaalsContact CD-NH2 3.25Å; E1485-R1489 WeakPolarHBondContact O-CG 3.34Å; E1485-R1489 PolarHBondContact O-N 3.43Å; E1485-R1489 IonicContact OE1-CZ 3.39Å; E1485-R1489 VanDerWaalsContact OE1-CZ 3.29Å; E1485-R1489 IonicContact OE1-NE 2.72Å; E1485-R1489 PolarHBondContact OE1-NE 3.44Å; E1485-R1489 IonicContact OE1-NH2 2.75Å; E1485-R1489 PolarHBondContact OE1-NH2 2.98Å; E1485-R1489 IonicContact OE2-CZ 2.7Å; E1485-R1489 IonicContact OE2-NE 3.65Å; E1485-R1489 PolarHBondContact OE2-NE 3.18Å; E1485-R1489 IonicContact OE2-NH2 3.48Å; E1485-R1489 PolarHBondContact OE2-NH2 2.91Å
1486Q72.2Confident67.4Low117 Ų11796.7 Ų96.755%0.54747%0.474SS..Hα-helixtrans-61.7-46.3173.9-69.617715.300111.7Q1482 I1483 K1488 R1489 L1490Q1482-Q1486 WeakPolarHBondContact O-CG 3.5Å; Q1482-Q1486 PolarHBondContact O-N 2.57Å; I1483-Q1486 PolarHBondContact O-N 3.29Å; Q1486-K1488 PolarHBondContact O-N 3.37Å; Q1486-R1489 PolarHBondContact O-N 3.49Å; Q1486-L1490 PolarHBondContact O-N 3.03Å
1487Q72.4Confident68Low105 Ų10597.4 Ų97.449%0.49148%0.483SS..Hα-helixtrans-59.7-42.9174.6-74.5178.40.900111.9I1483 R1489 L1490 I1491I1483-Q1487 WeakPolarHBondContact O-CB 3.34Å; I1483-Q1487 WeakPolarHBondContact O-CG 3.11Å; I1483-Q1487 PolarHBondContact O-N 3.39Å; Q1487-R1489 PolarHBondContact O-N 2.99Å; Q1487-L1490 PolarHBondContact O-N 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CB 3.33Å; Q1487-I1491 WeakPolarHBondContact O-CD1 3.49Å; Q1487-I1491 VanDerWaalsContact O-CG1 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CG1 3.4Å; Q1487-I1491 PolarHBondContact O-N 3.29Å
1488K78.6Confident68.6Low127 Ų12797.8 Ų97.855%0.55249%0.485SS*.Hα-helixtrans-60.1-44.6174.5-76.4164.8-177.21690111.7I1484 E1485 Q1486 I1491 I1492I1484-K1488 HydrophobicContact CG2-CD 4.13Å; I1484-K1488 VanDerWaalsContact CG2-CE 3.5Å; I1484-K1488 WeakPolarHBondContact O-CB 3.2Å; I1484-K1488 WeakPolarHBondContact O-CD 3.35Å; I1484-K1488 WeakPolarHBondContact O-CG 3.49Å; I1484-K1488 PolarHBondContact O-N 3.03Å; E1485-K1488 PolarHBondContact O-N 2.9Å; Q1486-K1488 PolarHBondContact O-N 3.37Å; K1488-I1491 PolarHBondContact O-N 3.08Å; K1488-I1492 VanDerWaalsContact O-CG1 3.32Å; K1488-I1492 WeakPolarHBondContact O-CG1 3.07Å; K1488-I1492 PolarHBondContact O-N 3.35Å
1489R72.6Confident70Confident141 Ų141100 Ų10053%0.53249%0.492SS..Hα-helixtrans-61.6-44.5176-70.2174.7-174.1-15310.1111.8E1485 Q1486 Q1487 I1491 I1492 Q1493E1485-R1489 VanDerWaalsContact CD-NH2 3.25Å; E1485-R1489 WeakPolarHBondContact O-CG 3.34Å; E1485-R1489 PolarHBondContact O-N 3.43Å; E1485-R1489 IonicContact OE1-CZ 3.39Å; E1485-R1489 VanDerWaalsContact OE1-CZ 3.29Å; E1485-R1489 IonicContact OE1-NE 2.72Å; E1485-R1489 PolarHBondContact OE1-NE 3.44Å; E1485-R1489 IonicContact OE1-NH2 2.75Å; E1485-R1489 PolarHBondContact OE1-NH2 2.98Å; E1485-R1489 IonicContact OE2-CZ 2.7Å; E1485-R1489 IonicContact OE2-NE 3.65Å; E1485-R1489 PolarHBondContact OE2-NE 3.18Å; E1485-R1489 IonicContact OE2-NH2 3.48Å; E1485-R1489 PolarHBondContact OE2-NH2 2.91Å; Q1486-R1489 PolarHBondContact O-N 3.49Å; Q1487-R1489 PolarHBondContact O-N 2.99Å; R1489-I1491 PolarHBondContact O-N 3.27Å; R1489-I1492 PolarHBondContact O-N 2.69Å; R1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; R1489-Q1493 PolarHBondContact O-N 3.36Å
1490L76.2Confident70.2Confident102 Ų10296 Ų9653%0.53448%0.475SS..Hα-helixtrans-62-43.8177.4-155.284.8000111.8Q1486 Q1487 I1492 Q1493 I1494Q1486-L1490 PolarHBondContact O-N 3.03Å; Q1487-L1490 PolarHBondContact O-N 3.25Å; L1490-I1492 VanDerWaalsContact C-N 3.3Å; L1490-I1492 PolarHBondContact O-N 3.27Å; L1490-Q1493 PolarHBondContact O-N 2.74Å; L1490-I1494 HydrophobicContact CD2-CD1 4.32Å; L1490-I1494 HydrophobicContact CG-CD1 4.29Å; L1490-I1494 VanDerWaalsContact O-CG1 3.3Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.49Å; L1490-I1494 PolarHBondContact O-N 3.26Å
1491I73.3Confident70Confident89 Ų8999.2 Ų99.246%0.45648%0.48SS..Hα-helixtrans-63.4-34.6176.9-70.4164.9000111.8Q1487 K1488 R1489 K1495Q1487-I1491 WeakPolarHBondContact O-CB 3.33Å; Q1487-I1491 WeakPolarHBondContact O-CD1 3.49Å; Q1487-I1491 VanDerWaalsContact O-CG1 3.25Å; Q1487-I1491 WeakPolarHBondContact O-CG1 3.4Å; Q1487-I1491 PolarHBondContact O-N 3.29Å; K1488-I1491 PolarHBondContact O-N 3.08Å; R1489-I1491 PolarHBondContact O-N 3.27Å; I1491-K1495 HydrophobicContact CG2-CD 4.42Å; I1491-K1495 WeakPolarHBondContact O-CG 3.27Å; I1491-K1495 PolarHBondContact O-N 3.4Å
1492I75.8Confident69.7Low95 Ų9598.3 Ų98.349%0.48748%0.477SS..Hα-helixtrans-67.2-49.2173.5-68.8163.3000110.1K1488 R1489 L1490 I1494 K1495 E1496K1488-I1492 VanDerWaalsContact O-CG1 3.32Å; K1488-I1492 WeakPolarHBondContact O-CG1 3.07Å; K1488-I1492 PolarHBondContact O-N 3.35Å; R1489-I1492 PolarHBondContact O-N 2.69Å; L1490-I1492 VanDerWaalsContact C-N 3.3Å; L1490-I1492 PolarHBondContact O-N 3.27Å; I1492-I1494 VanDerWaalsContact C-N 3.33Å; I1492-I1494 PolarHBondContact O-N 2.91Å; I1492-K1495 PolarHBondContact O-N 3.38Å; I1492-K1495 VanDerWaalsContact O-N 3.09Å; I1492-E1496 PolarHBondContact O-N 3.2Å
1493Q68.1Low69.6Low74 Ų7497.7 Ų97.735%0.34647%0.474SS..Hα-helixtrans-59.3-40.3178.5-71.7173.7-30.700112.6R1489 L1490 K1495 E1496 A1497R1489-Q1493 WeakPolarHBondContact O-CG 3.48Å; R1489-Q1493 PolarHBondContact O-N 3.36Å; L1490-Q1493 PolarHBondContact O-N 2.74Å; Q1493-K1495 PolarHBondContact O-N 2.96Å; Q1493-E1496 PolarHBondContact O-N 3.41Å; Q1493-A1497 WeakPolarHBondContact O-CB 3.4Å; Q1493-A1497 PolarHBondContact O-N 3Å
1494I70.9Confident69Low86 Ų8697.9 Ų97.944%0.44148%0.475SS..Hα-helixtrans-62.3-41.8175.1-69.8164.4000111.2L1490 I1492 A1497 Q1498L1490-I1494 HydrophobicContact CD2-CD1 4.32Å; L1490-I1494 HydrophobicContact CG-CD1 4.29Å; L1490-I1494 VanDerWaalsContact O-CG1 3.3Å; L1490-I1494 WeakPolarHBondContact O-CG1 3.49Å; L1490-I1494 PolarHBondContact O-N 3.26Å; I1492-I1494 VanDerWaalsContact C-N 3.33Å; I1492-I1494 PolarHBondContact O-N 2.91Å; I1494-A1497 PolarHBondContact O-N 2.93Å; I1494-Q1498 VanDerWaalsContact O-CG 3.31Å; I1494-Q1498 WeakPolarHBondContact O-CG 3.49Å; I1494-Q1498 PolarHBondContact O-N 3.11Å
1495K72Confident68.3Low134 Ų13497.9 Ų97.958%0.58347%0.474SS*.Hα-helixtrans-67.8-38.3177-73.6174-178.91800112.5I1491 I1492 Q1493 Q1498 L1499I1491-K1495 HydrophobicContact CG2-CD 4.42Å; I1491-K1495 WeakPolarHBondContact O-CG 3.27Å; I1491-K1495 PolarHBondContact O-N 3.4Å; I1492-K1495 PolarHBondContact O-N 3.38Å; I1492-K1495 VanDerWaalsContact O-N 3.09Å; Q1493-K1495 PolarHBondContact O-N 2.96Å; K1495-Q1498 PolarHBondContact O-N 2.85Å; K1495-L1499 PolarHBondContact O-N 3.48Å
1496E63.9Low67.8Low108 Ų10896.7 Ų96.751%0.50547%0.473SS..Hα-helixtrans-64.8-41.2173.9-71.2-175.1-179.600111.8I1492 Q1493 L1499 L1500I1492-E1496 PolarHBondContact O-N 3.2Å; Q1493-E1496 PolarHBondContact O-N 3.41Å; E1496-L1499 PolarHBondContact O-N 3.36Å; E1496-L1500 WeakPolarHBondContact O-CG 3.44Å; E1496-L1500 PolarHBondContact O-N 2.85Å
1497A56.3Low66.7Low58 Ų5893.1 Ų93.148%0.47946%0.46SS..Hα-helixtrans-64.3-39.1174.600000112.5Q1493 I1494 L1500 R1501Q1493-A1497 WeakPolarHBondContact O-CB 3.4Å; Q1493-A1497 PolarHBondContact O-N 3Å; I1494-A1497 PolarHBondContact O-N 2.93Å; A1497-L1500 PolarHBondContact O-N 3.5Å; A1497-R1501 PolarHBondContact O-N 2.95Å
1498Q61.8Low66.1Low126 Ų12693.1 Ų93.159%0.58946%0.456SS*.Hα-helixtrans-64.7-41.1173.9-74.6172.8-900112.2I1494 K1495 R1501 A1502I1494-Q1498 VanDerWaalsContact O-CG 3.31Å; I1494-Q1498 WeakPolarHBondContact O-CG 3.49Å; I1494-Q1498 PolarHBondContact O-N 3.11Å; K1495-Q1498 PolarHBondContact O-N 2.85Å; Q1498-R1501 PolarHBondContact O-N 2.82Å; Q1498-A1502 PolarHBondContact O-N 3.14Å; Q1498-A1502 VanDerWaalsContact O-N 3.14Å
1499L72.5Confident64.9Low107 Ų10791.9 Ų91.956%0.5645%0.452SS*.Hα-helixtrans-63.2-46.5175.2-178.563.1000111.5K1495 E1496 R1501 A1502 E1503K1495-L1499 PolarHBondContact O-N 3.48Å; E1496-L1499 PolarHBondContact O-N 3.36Å; L1499-R1501 VanDerWaalsContact C-N 3.29Å; L1499-R1501 PolarHBondContact O-N 2.68Å; L1499-A1502 WeakPolarHBondContact O-CB 3.4Å; L1499-A1502 PolarHBondContact O-N 3.33Å; L1499-A1502 VanDerWaalsContact O-N 3.08Å; L1499-E1503 PolarHBondContact O-N 2.99Å
1500L61.2Low64.4Low40 Ų4092.5 Ų92.521%0.20945%0.454CS..Hα-helixtrans-60.7-36.1176.4-73.9168.9000112.5E1496 A1497 E1503 L1504E1496-L1500 WeakPolarHBondContact O-CG 3.44Å; E1496-L1500 PolarHBondContact O-N 2.85Å; A1497-L1500 PolarHBondContact O-N 3.5Å; L1500-E1503 PolarHBondContact O-N 3.45Å; L1500-L1504 WeakPolarHBondContact O-CB 3.16Å; L1500-L1504 PolarHBondContact O-N 2.82Å
1501R61.3Low63.4Low164 Ų16489.3 Ų89.362%0.61944%0.437SS*.Hα-helixtrans-64.5-39173.6-172175179.5170.80.2111.9A1497 Q1498 L1499 E1505A1497-R1501 PolarHBondContact O-N 2.95Å; Q1498-R1501 PolarHBondContact O-N 2.82Å; L1499-R1501 VanDerWaalsContact C-N 3.29Å; L1499-R1501 PolarHBondContact O-N 2.68Å; R1501-E1505 WeakPolarHBondContact O-CB 3.5Å; R1501-E1505 PolarHBondContact O-N 3.41Å
1502A65.5Low62.4Low52 Ų5288.6 Ų88.643%0.4343%0.434SS..Hα-helixtrans-70.4-36.3175.700000112.8Q1498 L1499 T1506Q1498-A1502 PolarHBondContact O-N 3.14Å; Q1498-A1502 VanDerWaalsContact O-N 3.14Å; L1499-A1502 WeakPolarHBondContact O-CB 3.4Å; L1499-A1502 PolarHBondContact O-N 3.33Å; L1499-A1502 VanDerWaalsContact O-N 3.08Å; A1502-T1506 WeakPolarHBondContact O-CB 3.25Å; A1502-T1506 PolarHBondContact O-N 3.27Å; A1502-T1506 PolarHBondContact O-OG1 3.33Å
1503E66.2Low61.5Low93 Ų9391.1 Ų91.144%0.43544%0.444SS..Hα-helixtrans-65.6-43.2172.6-70.6-173.9153.600111.7L1499 L1500 T1506 C1507L1499-E1503 PolarHBondContact O-N 2.99Å; L1500-E1503 PolarHBondContact O-N 3.45Å; E1503-T1506 WeakPolarHBondContact O-CB 3.22Å; E1503-T1506 PolarHBondContact O-N 2.84Å; E1503-C1507 PolarHBondContact O-N 3.4Å
1504L59.5Low60.4Low83 Ų8389.4 Ų89.444%0.43544%0.44SS..Hα-helixtrans-61.7-44.8175.8-177.563.7000111.9L1400 L1500 T1506 C1507 R1508L1400-L1504 HydrophobicContact CD2-CD1 4.25Å; L1500-L1504 WeakPolarHBondContact O-CB 3.16Å; L1500-L1504 PolarHBondContact O-N 2.82Å; L1504-T1506 VanDerWaalsContact C-N 3.34Å; L1504-T1506 PolarHBondContact O-N 3.43Å; L1504-C1507 WeakPolarHBondContact O-CB 3.45Å; L1504-C1507 PolarHBondContact O-N 2.79Å; L1504-R1508 PolarHBondContact O-N 3.16Å
1505E60.6Low59.1Low65 Ų6587.8 Ų87.830%0.30443%0.432SS..Hα-helixtrans-64.3-38.9176.1-169.457.6-126.700111.7R1501 C1507 R1508 H1509R1501-E1505 WeakPolarHBondContact O-CB 3.5Å; R1501-E1505 PolarHBondContact O-N 3.41Å; E1505-C1507 VanDerWaalsContact C-N 3.31Å; E1505-C1507 PolarHBondContact O-N 2.86Å; E1505-R1508 WeakPolarHBondContact O-CB 3.47Å; E1505-R1508 PolarHBondContact O-N 3.02Å; E1505-R1508 VanDerWaalsContact O-N 3.17Å; E1505-R1508 IonicContact OE1-CZ 2.71Å; E1505-R1508 IonicContact OE1-NE 3.94Å; E1505-R1508 PolarHBondContact OE1-NE 2.83Å; E1505-R1508 IonicContact OE1-NH2 3.24Å; E1505-R1508 PolarHBondContact OE1-NH2 3.44Å; E1505-R1508 IonicContact OE2-CZ 3.19Å; E1505-R1508 IonicContact OE2-NE 3.66Å; E1505-R1508 PolarHBondContact OE2-NE 2.99Å; E1505-R1508 IonicContact OE2-NH2 2.83Å; E1505-R1508 PolarHBondContact OE2-NH2 3.46Å; E1505-H1509 PolarHBondContact O-CD2 2.81Å; E1505-H1509 VanDerWaalsContact O-CD2 3.26Å; E1505-H1509 PolarHBondContact O-N 2.82Å; E1505-H1509 IonicContact OE1-CD2 2.94Å; E1505-H1509 IonicContact OE1-NE2 2.7Å; E1505-H1509 PolarHBondContact OE1-NE2 3.28Å
1506T63.9Low57.7Low64 Ų6483.6 Ų83.639%0.39342%0.418SS..Hα-helixtrans-61.9-38.6172.8-57.70000111.6A1502 E1503 L1504 R1510A1502-T1506 WeakPolarHBondContact O-CB 3.25Å; A1502-T1506 PolarHBondContact O-N 3.27Å; A1502-T1506 PolarHBondContact O-OG1 3.33Å; E1503-T1506 WeakPolarHBondContact O-CB 3.22Å; E1503-T1506 PolarHBondContact O-N 2.84Å; L1504-T1506 VanDerWaalsContact C-N 3.34Å; L1504-T1506 PolarHBondContact O-N 3.43Å; T1506-R1510 WeakPolarHBondContact O-CG 3.22Å; T1506-R1510 PolarHBondContact O-N 2.87Å
1507C48.8Very low56.5Low42 Ų4283.9 Ų83.928%0.28444%0.439SS..Hα-helixtrans-68.3-37.7173.2-78.50000112.5L1400 E1503 L1504 E1505 R1510 L1511L1400-C1507 HydrophobicContact CD2-CB 4.07Å; E1503-C1507 PolarHBondContact O-N 3.4Å; L1504-C1507 WeakPolarHBondContact O-CB 3.45Å; L1504-C1507 PolarHBondContact O-N 2.79Å; E1505-C1507 VanDerWaalsContact C-N 3.31Å; E1505-C1507 PolarHBondContact O-N 2.86Å; C1507-R1510 PolarHBondContact O-N 2.75Å; C1507-L1511 WeakPolarHBondContact O-CB 3.33Å; C1507-L1511 PolarHBondContact O-N 3.42Å
1508R58.4Low56Low105 Ų10586.4 Ų86.440%0.39644%0.44SS..Hα-helixtrans-60.4-48.6172.8-168.8174.875.1146.60.8111.1L1504 E1505 R1510 L1511 L1512L1504-R1508 PolarHBondContact O-N 3.16Å; E1505-R1508 WeakPolarHBondContact O-CB 3.47Å; E1505-R1508 PolarHBondContact O-N 3.02Å; E1505-R1508 VanDerWaalsContact O-N 3.17Å; E1505-R1508 IonicContact OE1-CZ 2.71Å; E1505-R1508 IonicContact OE1-NE 3.94Å; E1505-R1508 PolarHBondContact OE1-NE 2.83Å; E1505-R1508 IonicContact OE1-NH2 3.24Å; E1505-R1508 PolarHBondContact OE1-NH2 3.44Å; E1505-R1508 IonicContact OE2-CZ 3.19Å; E1505-R1508 IonicContact OE2-NE 3.66Å; E1505-R1508 PolarHBondContact OE2-NE 2.99Å; E1505-R1508 IonicContact OE2-NH2 2.83Å; E1505-R1508 PolarHBondContact OE2-NH2 3.46Å; R1508-R1510 PolarHBondContact O-N 3.16Å; R1508-L1511 PolarHBondContact O-N 3.25Å; R1508-L1512 HydrophobicContact CG-CD1 4.32Å; R1508-L1512 WeakPolarHBondContact O-CG 3.4Å; R1508-L1512 PolarHBondContact O-N 3.39Å
1509H55.2Low54.9Low102 Ų10283.3 Ų83.347%0.47243%0.427SS..Hα-helixtrans-59.4-46.6175.4-78-64.3000112.7E1505 L1511 L1512 E1513E1505-H1509 PolarHBondContact O-CD2 2.81Å; E1505-H1509 VanDerWaalsContact O-CD2 3.26Å; E1505-H1509 PolarHBondContact O-N 2.82Å; E1505-H1509 IonicContact OE1-CD2 2.94Å; E1505-H1509 IonicContact OE1-NE2 2.7Å; E1505-H1509 PolarHBondContact OE1-NE2 3.28Å; H1509-L1511 VanDerWaalsContact C-N 3.25Å; H1509-L1511 PolarHBondContact O-N 2.86Å; H1509-L1512 PolarHBondContact O-N 2.78Å; H1509-E1513 WeakPolarHBondContact O-CB 3.42Å; H1509-E1513 WeakPolarHBondContact O-CG 3.37Å; H1509-E1513 PolarHBondContact O-N 2.9Å
1510R61.2Low53Low154 Ų15486.4 Ų86.458%0.58144%0.436SS*.Hα-helixtrans-62.8-29.5177.1-74.6175.3-176.3170.45.6113.9T1506 C1507 R1508 S1514T1506-R1510 WeakPolarHBondContact O-CG 3.22Å; T1506-R1510 PolarHBondContact O-N 2.87Å; C1507-R1510 PolarHBondContact O-N 2.75Å; R1508-R1510 PolarHBondContact O-N 3.16Å; R1510-S1514 PolarHBondContact O-N 3.25Å
1511L54.8Low51.6Low35 Ų3585.5 Ų85.518%0.18343%0.433CS..Hα-helixtrans-73-44.6174.8-168.668.3000110.6C1507 R1508 H1509 E1513 S1514 I1515 F1606C1507-L1511 WeakPolarHBondContact O-CB 3.33Å; C1507-L1511 PolarHBondContact O-N 3.42Å; R1508-L1511 PolarHBondContact O-N 3.25Å; H1509-L1511 VanDerWaalsContact C-N 3.25Å; H1509-L1511 PolarHBondContact O-N 2.86Å; L1511-E1513 PolarHBondContact O-N 2.97Å; L1511-S1514 WeakPolarHBondContact O-CA 3.31Å; L1511-S1514 WeakPolarHBondContact O-CB 3.27Å; L1511-S1514 PolarHBondContact O-N 3.03Å; L1511-S1514 PolarHBondContact O-OG 3.12Å; L1511-I1515 PolarHBondContact O-N 3.2Å; L1511-F1606 HydrophobicContact CD2-CE2 3.48Å; L1511-F1606 VanDerWaalsContact CD2-CE2 3.48Å; L1511-F1606 HydrophobicContact CD2-CZ 3.67Å
1512L53.3Low50.4Low74 Ų7482.6 Ų82.639%0.38743%0.43SS..Hα-helixtrans-61.1-41.6173.8-66.5169.4000111.9R1508 H1509 S1514 I1515R1508-L1512 HydrophobicContact CG-CD1 4.32Å; R1508-L1512 WeakPolarHBondContact O-CG 3.4Å; R1508-L1512 PolarHBondContact O-N 3.39Å; H1509-L1512 PolarHBondContact O-N 2.78Å; L1512-S1514 PolarHBondContact O-N 2.9Å; L1512-I1515 HydrophobicContact CD2-CD1 4.08Å; L1512-I1515 WeakPolarHBondContact O-CB 3.32Å; L1512-I1515 PolarHBondContact O-N 3.01Å; L1512-I1515 VanDerWaalsContact O-N 3.09Å
1513E56.8Low49Very low148 Ų14886.1 Ų86.169%0.69244%0.44SS*.THydrogen-bonded Turntrans-62.2-16.2171.7-74.8177.4174.300114H1509 L1511H1509-E1513 WeakPolarHBondContact O-CB 3.42Å; H1509-E1513 WeakPolarHBondContact O-CG 3.37Å; H1509-E1513 PolarHBondContact O-N 2.9Å; L1511-E1513 PolarHBondContact O-N 2.97Å
1514S44.5Very low47.6Very low38 Ų3883 Ų8327%0.26643%0.428SS..THydrogen-bonded Turntrans-91.8-7.3175.773.20000114R1510 L1511 L1512R1510-S1514 PolarHBondContact O-N 3.25Å; L1511-S1514 WeakPolarHBondContact O-CA 3.31Å; L1511-S1514 WeakPolarHBondContact O-CB 3.27Å; L1511-S1514 PolarHBondContact O-N 3.03Å; L1511-S1514 PolarHBondContact O-OG 3.12Å; L1512-S1514 PolarHBondContact O-N 2.9Å
1515I43.2Very low46.4Very low51 Ų5185.8 Ų85.826%0.26244%0.438SS..SBendtrans-77.9124.5170.1-55.4176.5000108.4L1511 L1512 I1519 W1609L1511-I1515 PolarHBondContact O-N 3.2Å; L1512-I1515 HydrophobicContact CD2-CD1 4.08Å; L1512-I1515 WeakPolarHBondContact O-CB 3.32Å; L1512-I1515 PolarHBondContact O-N 3.01Å; L1512-I1515 VanDerWaalsContact O-N 3.09Å; I1515-I1519 HydrophobicContact CG2-CB 4.23Å; I1515-W1609 HydrophobicContact CD1-CH2 4Å; I1515-W1609 HydrophobicContact CD1-CZ2 4.03Å
1516P42.2Very low45.3Very low47 Ų4788.2 Ų88.231%0.30545%0.453SS..  trans-63.7136.3178.2-20.831.7000112.4H1518 I1519P1516-H1518 VanDerWaalsContact CB-CE1 3.49Å; P1516-H1518 WeakPolarHBondContact CB-CE1 3.3Å; P1516-H1518 WeakPolarHBondContact CB-NE2 3.3Å; P1516-H1518 PolarHBondContact O-N 3.39Å; P1516-I1519 HydrophobicContact CB-CG1 4.32Å; P1516-I1519 HydrophobicContact CG-CD1 4.19Å; P1516-I1519 HydrophobicContact CG-CG1 4.4Å; P1516-I1519 PolarHBondContact O-N 3.09Å
1517A39.8Very low44Very low113 Ų11389.3 Ų89.393%0.93446%0.456SS*.THydrogen-bonded Turntrans-62.7-5.3-176.700000116
1518H45.2Very low43.5Very low111 Ų11190.8 Ų90.851%0.51446%0.46SS..THydrogen-bonded Turntrans-94.6-11.6172.245.8-102.3000113.9P1516 K1520P1516-H1518 VanDerWaalsContact CB-CE1 3.49Å; P1516-H1518 WeakPolarHBondContact CB-CE1 3.3Å; P1516-H1518 WeakPolarHBondContact CB-NE2 3.3Å; P1516-H1518 PolarHBondContact O-N 3.39Å; H1518-K1520 PolarHBondContact O-N 2.91Å
1519I38.6Very low42.5Very low61 Ų6189.3 Ų89.331%0.31346%0.46SS..  trans-77.495.1170.4-53.6-170.4000107.9I1515 P1516 C1521I1515-I1519 HydrophobicContact CG2-CB 4.23Å; P1516-I1519 HydrophobicContact CB-CG1 4.32Å; P1516-I1519 HydrophobicContact CG-CD1 4.19Å; P1516-I1519 HydrophobicContact CG-CG1 4.4Å; P1516-I1519 PolarHBondContact O-N 3.09Å; I1519-C1521 VanDerWaalsContact C-N 3.25Å; I1519-C1521 PolarHBondContact O-N 3.34Å
1520K32.8Very low42Very low172 Ų17290.6 Ų90.675%0.74846%0.464SS*.  trans-70.684.7166.9-79.4-170.4179.1178.40109.8H1518 D1522H1518-K1520 PolarHBondContact O-N 2.91Å; K1520-D1522 PolarHBondContact O-N 2.83Å
1521C32.9Very low40.9Very low22 Ų2285.4 Ų85.415%0.14945%0.448CS..  trans-69.473.5161.9-63.60000109.7I1519 I1523 T1524I1519-C1521 VanDerWaalsContact C-N 3.25Å; I1519-C1521 PolarHBondContact O-N 3.34Å; C1521-I1523 PolarHBondContact O-N 2.91Å; C1521-T1524 HydrophobicContact CB-CG2 3.5Å; C1521-T1524 VanDerWaalsContact CB-OG1 3.22Å; C1521-T1524 WeakPolarHBondContact CB-OG1 3.19Å; C1521-T1524 PolarHBondContact O-N 3.11Å; C1521-T1524 PolarHBondContact O-OG1 3Å
1522D35.4Very low40Very low103 Ų10385.5 Ų85.555%0.55146%0.457SS*.THydrogen-bonded Turntrans-59.2-16.6176.3-8411.9000111.7R336 K1520R336-D1522 IonicContact NH2-OD2 3.33Å; K1520-D1522 PolarHBondContact O-N 2.83Å
1523I36.4Very low39.4Very low126 Ų12687.7 Ų87.765%0.64646%0.46SS*.THydrogen-bonded Turntrans-76.7-34.7170.7-63.2172.2000112.6C1521 H1525 N1526 I1527C1521-I1523 PolarHBondContact O-N 2.91Å; I1523-H1525 PolarHBondContact O-N 2.83Å; I1523-N1526 PolarHBondContact O-N 3.35Å; I1523-I1527 HydrophobicContact CG2-CD1 3.75Å
1524T36.9Very low38.7Very low28 Ų2884.5 Ų84.517%0.17245%0.448CS..Hα-helixtrans-73.3-27-172590000113.3C1521 N1526 I1527 I1528C1521-T1524 HydrophobicContact CB-CG2 3.5Å; C1521-T1524 VanDerWaalsContact CB-OG1 3.22Å; C1521-T1524 WeakPolarHBondContact CB-OG1 3.19Å; C1521-T1524 PolarHBondContact O-N 3.11Å; C1521-T1524 PolarHBondContact O-OG1 3Å; T1524-N1526 PolarHBondContact O-N 3.5Å; T1524-I1527 PolarHBondContact O-N 3.42Å; T1524-I1528 WeakPolarHBondContact O-CB 3.3Å; T1524-I1528 VanDerWaalsContact O-CG1 3.25Å; T1524-I1528 WeakPolarHBondContact O-CG1 3.25Å; T1524-I1528 PolarHBondContact O-N 2.83Å
1525H34.1Very low38.5Very low141 Ų14187.1 Ų87.165%0.65346%0.455SS*.Hα-helixtrans-62-42.2177.3-86.140.7000111.9I1523 I1527 D1529I1523-H1525 PolarHBondContact O-N 2.83Å; H1525-I1527 VanDerWaalsContact C-N 3.32Å; H1525-I1527 PolarHBondContact O-N 3.12Å; H1525-D1529 WeakPolarHBondContact O-CB 3.36Å; H1525-D1529 PolarHBondContact O-N 3.44Å
1526N36.5Very low38.4Very low116 Ų11691.8 Ų91.862%0.6248%0.477SS*.Hα-helixtrans-67.4-27.9176.2-87.9-51.3000114.1I1523 T1524I1523-N1526 PolarHBondContact O-N 3.35Å; T1524-N1526 PolarHBondContact O-N 3.5Å
1527I37Very low38.3Very low86 Ų8694.4 Ų94.444%0.44149%0.489SS..Hα-helixtrans-86.7-41.2179.9-61178.3000111I1523 T1524 H1525 K1530 L1531I1523-I1527 HydrophobicContact CG2-CD1 3.75Å; T1524-I1527 PolarHBondContact O-N 3.42Å; H1525-I1527 VanDerWaalsContact C-N 3.32Å; H1525-I1527 PolarHBondContact O-N 3.12Å; I1527-K1530 WeakPolarHBondContact O-CB 3.41Å; I1527-K1530 PolarHBondContact O-N 3.06Å; I1527-L1531 HydrophobicContact CG2-CD1 4.15Å; I1527-L1531 PolarHBondContact O-N 3.27Å
1528I38Very low38.2Very low74 Ų7494 Ų9438%0.37947%0.471SS..Hα-helixtrans-68.1-36.4175.8-66.9173.4000110.6T1524 K1530 L1531 G1532T1524-I1528 WeakPolarHBondContact O-CB 3.3Å; T1524-I1528 VanDerWaalsContact O-CG1 3.25Å; T1524-I1528 WeakPolarHBondContact O-CG1 3.25Å; T1524-I1528 PolarHBondContact O-N 2.83Å; I1528-K1530 VanDerWaalsContact C-N 3.33Å; I1528-K1530 PolarHBondContact O-N 2.85Å; I1528-L1531 CarbonylContact O-C 3.03Å; I1528-L1531 PolarHBondContact O-N 3Å; I1528-G1532 PolarHBondContact O-N 3.43Å
1529D38.3Very low37.9Very low73 Ų7395.7 Ų95.739%0.3948%0.484SS..Hα-helixtrans-64.3-35.7172.6-102.523.2000112.8H1525 G1532 R1533H1525-D1529 WeakPolarHBondContact O-CB 3.36Å; H1525-D1529 PolarHBondContact O-N 3.44Å; D1529-G1532 PolarHBondContact O-N 3.21Å; D1529-R1533 VanDerWaalsContact CG-NH1 3.34Å; D1529-R1533 WeakPolarHBondContact O-CB 3.48Å; D1529-R1533 WeakPolarHBondContact O-CG 3.42Å; D1529-R1533 PolarHBondContact O-N 2.75Å; D1529-R1533 IonicContact OD2-CZ 2.78Å; D1529-R1533 IonicContact OD2-NH1 3.28Å; D1529-R1533 PolarHBondContact OD2-NH1 3.23Å; D1529-R1533 IonicContact OD2-NH2 2.81Å; D1529-R1533 PolarHBondContact OD2-NH2 2.93Å
1530K43.7Very low37.6Very low130 Ų130101.4 Ų101.457%0.56551%0.509SS*.Hα-helixtrans-65.3-52.8170.2-78.8-175.3174.4-171.30110.2I1527 I1528 G1532 R1533 D1534I1527-K1530 WeakPolarHBondContact O-CB 3.41Å; I1527-K1530 PolarHBondContact O-N 3.06Å; I1528-K1530 VanDerWaalsContact C-N 3.33Å; I1528-K1530 PolarHBondContact O-N 2.85Å; K1530-G1532 PolarHBondContact O-N 2.92Å; K1530-R1533 PolarHBondContact O-N 2.91Å; K1530-R1533 VanDerWaalsContact O-N 3.1Å; K1530-D1534 VanDerWaalsContact O-CB 3.23Å; K1530-D1534 WeakPolarHBondContact O-CB 3.34Å; K1530-D1534 PolarHBondContact O-N 3.08Å
1531L38Very low37.6Very low44 Ų44100.6 Ų100.623%0.2351%0.512CS..Hα-helixtrans-54.9-21.7172.4-78.2159.3000114.3I1527 I1528 F1535I1527-L1531 HydrophobicContact CG2-CD1 4.15Å; I1527-L1531 PolarHBondContact O-N 3.27Å; I1528-L1531 CarbonylContact O-C 3.03Å; I1528-L1531 PolarHBondContact O-N 3Å; L1531-F1535 HydrophobicContact CD2-CE2 4.17Å; L1531-F1535 WeakPolarHBondContact O-CD2 3.41Å
1532G36.3Very low37.6Very low37 Ų37105.2 Ų105.238%0.38154%0.54SS..Hα-helixtrans-85.9-47.9172.900000113.3I1528 D1529 K1530 M1536I1528-G1532 PolarHBondContact O-N 3.43Å; D1529-G1532 PolarHBondContact O-N 3.21Å; K1530-G1532 PolarHBondContact O-N 2.92Å; G1532-M1536 WeakPolarHBondContact O-CG 3.44Å; G1532-M1536 PolarHBondContact O-N 3.37Å
1533R41.6Very low37.3Very low120 Ų120106.3 Ų106.345%0.45355%0.552SS.*Hα-helixtrans-71.2-42.4-178.8-72.2-171.3-77.8-978.7112.3D1529 K1530 F1535 M1536 N1537D1529-R1533 VanDerWaalsContact CG-NH1 3.34Å; D1529-R1533 WeakPolarHBondContact O-CB 3.48Å; D1529-R1533 WeakPolarHBondContact O-CG 3.42Å; D1529-R1533 PolarHBondContact O-N 2.75Å; D1529-R1533 IonicContact OD2-CZ 2.78Å; D1529-R1533 IonicContact OD2-NH1 3.28Å; D1529-R1533 PolarHBondContact OD2-NH1 3.23Å; D1529-R1533 IonicContact OD2-NH2 2.81Å; D1529-R1533 PolarHBondContact OD2-NH2 2.93Å; K1530-R1533 PolarHBondContact O-N 2.91Å; K1530-R1533 VanDerWaalsContact O-N 3.1Å; R1533-F1535 PolarHBondContact O-N 2.91Å; R1533-M1536 PolarHBondContact O-N 3.24Å; R1533-N1537 PolarHBondContact O-N 2.83Å; R1533-N1537 PolarHBondContact O-ND2 3.4Å
1534D42.3Very low37.1Very low81 Ų81105.2 Ų105.243%0.43356%0.563SS.*THydrogen-bonded Turntrans-71.4-16.8-177.9-55-18.4000111.9K1530K1530-D1534 VanDerWaalsContact O-CB 3.23Å; K1530-D1534 WeakPolarHBondContact O-CB 3.34Å; K1530-D1534 PolarHBondContact O-N 3.08Å
1535F40.6Very low36.8Very low94 Ų94109.9 Ų109.941%0.41259%0.591SS.*THydrogen-bonded Turntrans-94.3-8.8171.2-86.3-100.8000114.2L1531 R1533L1531-F1535 HydrophobicContact CD2-CE2 4.17Å; L1531-F1535 WeakPolarHBondContact O-CD2 3.41Å; R1533-F1535 PolarHBondContact O-N 2.91Å
1536M41.2Very low36.6Very low148 Ų148109.1 Ų109.173%0.72960%0.596SS**THydrogen-bonded Turntrans-105.2-29.8179.8-76.5-70.6170.200113.4G1532 R1533G1532-M1536 WeakPolarHBondContact O-CG 3.44Å; G1532-M1536 PolarHBondContact O-N 3.37Å; R1533-M1536 PolarHBondContact O-N 3.24Å
1537N39.3Very low36.3Very low102 Ų102109.9 Ų109.955%0.54561%0.605SS.*G310 helixtrans-83-21.2-172.2-72.2-21.2000115.3R1533 N1539 Q1540R1533-N1537 PolarHBondContact O-N 2.83Å; R1533-N1537 PolarHBondContact O-ND2 3.4Å; N1537-N1539 PolarHBondContact O-N 3.4Å; N1537-Q1540 PolarHBondContact O-N 3.48Å
1538D37.8Very low36Very low105 Ų105111.7 Ų111.756%0.56162%0.621SS**G310 helixtrans-63.6-4.3-176-76.7-1.6000114.8
1539N37.5Very low35.6Very low146 Ų146114.1 Ų114.178%0.78164%0.639SS**G310 helixtrans-85.52.7176.3-76.1-69.3000115N1537N1537-N1539 PolarHBondContact O-N 3.4Å
1540Q33Very low35.2Very low181 Ų181116.1 Ų116.185%0.84666%0.659SS**SBendtrans-138.223.1-175.4-75.1-158.2101.600116.9N1537N1537-Q1540 PolarHBondContact O-N 3.48Å
1541L32.9Very low34.7Very low155 Ų155117 Ų11781%0.81267%0.67SS**  trans-10690.5175-86.5158.3000112.9
1542T32.3Very low34.4Very low120 Ų120123 Ų12374%0.73670%0.702SS**  trans-64.7155164.633.30000112.3
1543P29.7Very low34.1Very low125 Ų125127.3 Ų127.381%0.81272%0.721SS**  trans-65135.9-177.327.7-35.8000112
1544A31.4Very low33.7Very low104 Ų104127.2 Ų127.286%0.8673%0.734SS**  trans-115.984.1-176.200000111.8
1545T31.8Very low33.1Very low126 Ų126129.5 Ų129.577%0.77375%0.746SS**  trans-116.7116.7158.620.50000109.6
1546T29.1Very low32.8Very low124 Ų124135.3 Ų135.376%0.76177%0.772SS**  trans18.5104.4151.447.60000118.1
1547T30.1Very low32.4Very low132 Ų132133.8 Ų133.881%0.8177%0.771SS**  -173.2144.492.925.90000114.5
1548T30.8Very low32.1Very low124 Ų124134.5 Ų134.576%0.76178%0.779SS**  trans4.8111.3143.8-25.50000119.6
1549T29.3Very low31.8Very low126 Ų126139.6 Ų139.677%0.77380%0.796SS**  trans38.1104.5130.9-42.40000120
1550S31.4Very low31.8Very low115 Ų115142.6 Ų142.680%0.80480%0.802SS**  -159155.2125.951.90000110.9
1551N31.8Very low31.9Very low148 Ų148141.4 Ų141.479%0.79180%0.797SS**  trans-94.8137.2-172.9-55.2-52.5000111.4
1552N31.5Very low31.9Very low169 Ų169140.7 Ų140.790%0.90479%0.794SS**  -164.5155.6127.4-95.4-33.1000110.9
1553T30.9Very low32.1Very low128 Ų128143.1 Ų143.179%0.78580%0.801SS**  trans-99.9162.4-165.645.30000114.1
1554T32.3Very low32.2Very low118 Ų118143.1 Ų143.172%0.72480%0.798SS**  trans125.9142146-48.20000114.6
1555D30.5Very low32.3Very low130 Ų130146.2 Ų146.270%0.69580%0.795SS**  trans56.981.6170.3-61.5-13.9000121.2T1557D1555-T1557 PolarHBondContact O-N 2.89Å
1556K34.1Very low32.2Very low216 Ų216148.5 Ų148.594%0.93980%0.802SS**  trans-85.579.1161.6-71.3-176173.9-177.60112.1
1557T32.3Very low32.2Very low116 Ų116150.8 Ų150.871%0.71280%0.801SS**  trans-136.732.9-176.3560000116.7D1555D1555-T1557 PolarHBondContact O-N 2.89Å
1558T33Very low32.2Very low116 Ų116151.3 Ų151.371%0.71280%0.798SS**  trans-134.310.8-166.6-120000118
1559F32.7Very low32.3Very low213 Ų213151.5 Ų151.593%0.93480%0.799SS**SBendtrans-114.623.7-171.7-125.9-88.2000116.7
1560K36.7Very low32.2Very low209 Ų209150.1 Ų150.191%0.90980%0.795SS**SBendtrans-133.318.9-178-91.1-172.2175.7178.50116.6
1561Q35.5Very low32.1Very low155 Ų155148.8 Ų148.872%0.72479%0.785SS**  trans-118.8-13.6-176.9-77-176.6-30.800116.8I1563Q1561-I1563 VanDerWaalsContact C-N 3.3Å; Q1561-I1563 PolarHBondContact O-N 2.92Å; Q1561-I1563 VanDerWaalsContact O-N 3.13Å
1562N32.5Very low32.2Very low141 Ų141152 Ų15275%0.75479%0.788SS**THydrogen-bonded Turntrans-76.6-2.6-165.9-67.211.3000116.4
1563I36.9Very low32.1Very low171 Ų171150.3 Ų150.388%0.87778%0.784SS**THydrogen-bonded Turntrans-89.8-4.9-175.6-66174.9000113Q1561Q1561-I1563 VanDerWaalsContact C-N 3.3Å; Q1561-I1563 PolarHBondContact O-N 2.92Å; Q1561-I1563 VanDerWaalsContact O-N 3.13Å
1564T32.1Very low32.5Very low125 Ų125148.4 Ų148.477%0.76777%0.772SS**SBendtrans-1247.3-172.425.80000116.7
1565Q33Very low32.8Very low169 Ų169147 Ų14779%0.7977%0.767SS**  trans-134.524.6-177.2-63.1-163.223.200116.2K1567Q1565-K1567 PolarHBondContact O-N 2.95Å
1566L29.9Very low33.6Very low174 Ų174148 Ų14891%0.91177%0.765SS**  trans-73.683.8164.9-87.2166.1000110.4
1567K29Very low34Very low171 Ų171144.2 Ų144.274%0.74375%0.751SS**  trans-138.4147.1171.9-179-170.2176.3-174.20106.3Q1565Q1565-K1567 PolarHBondContact O-N 2.95Å
1568L30.4Very low34.6Very low143 Ų143142.4 Ų142.475%0.74974%0.736SS**  trans73.3144.1-171.7-42172.9000111.2
1569T32.6Very low35.1Very low129 Ų129142.6 Ų142.679%0.79173%0.729SS**  cis-154.9171.2-1570000108.7
1570S27.7Very low35.8Very low97 Ų97137.6 Ų137.668%0.67871%0.709SS**  trans-52.6155172.2-176.40000114.2
1571S29.2Very low36.1Very low86 Ų86129.8 Ų129.860%0.60168%0.681SS**  trans97.3127.6156.280.70000119.9
1572Y32.8Very low36.5Very low216 Ų216127.3 Ų127.385%0.84767%0.668SS**  trans68.3117.1166.5-49.2-65.8000119.1
1573T31.1Very low37.3Very low133 Ų133125.5 Ų125.582%0.81666%0.658SS**  trans-72.5147.5176.344.20000112.6
1574T37.5Very low37.7Very low89 Ų89121.1 Ų121.155%0.54664%0.636SS.*  trans-128.6145.9155.763.40000109.9K1576 E1577T1574-K1576 PolarHBondContact O-N 3.31Å; T1574-E1577 PolarHBondContact O-N 2.88Å; T1574-E1577 VanDerWaalsContact O-N 3.16Å
1575S40.1Very low38.1Very low87 Ų87117.6 Ų117.661%0.60861%0.611SS**Hα-helixtrans-55.5-26-173.849.60000114.4E1577 L1578 E1579S1575-E1577 VanDerWaalsContact C-N 3.33Å; S1575-E1577 PolarHBondContact O-N 3.29Å; S1575-L1578 WeakPolarHBondContact O-CB 3.49Å; S1575-L1578 PolarHBondContact O-N 3.37Å; S1575-E1579 PolarHBondContact O-N 2.9Å
1576K45.7Very low38.8Very low153 Ų153113.9 Ų113.967%0.66559%0.594SS**Hα-helixtrans-64-32.1-179.3-62.9-175.4178.6-177.60113.7T1574 L1578 E1579 Q1580T1574-K1576 PolarHBondContact O-N 3.31Å; K1576-L1578 VanDerWaalsContact C-N 3.35Å; K1576-E1579 PolarHBondContact O-N 2.89Å; K1576-Q1580 WeakPolarHBondContact O-CB 3.42Å; K1576-Q1580 PolarHBondContact O-N 3.17Å
1577E44Very low39.5Very low136 Ų136108.7 Ų108.764%0.63657%0.572SS**Hα-helixtrans-73.1-32.4176.3-65.5-172.2133.500111.5T1574 S1575 Q1580 S1581T1574-E1577 PolarHBondContact O-N 2.88Å; T1574-E1577 VanDerWaalsContact O-N 3.16Å; S1575-E1577 VanDerWaalsContact C-N 3.33Å; S1575-E1577 PolarHBondContact O-N 3.29Å; E1577-Q1580 PolarHBondContact O-N 3.22Å; E1577-S1581 WeakPolarHBondContact O-CB 3.44Å; E1577-S1581 PolarHBondContact O-N 3.13Å
1578L44Very low40.5Very low77 Ų77104.9 Ų104.940%0.40356%0.559SS.*Hα-helixtrans-65.9-47.1170.9-107.6162.3000111L1430 S1575 K1576 Q1580 S1581 F1582L1430-L1578 HydrophobicContact CD1-CD1 4.39Å; S1575-L1578 WeakPolarHBondContact O-CB 3.49Å; S1575-L1578 PolarHBondContact O-N 3.37Å; K1576-L1578 VanDerWaalsContact C-N 3.35Å; L1578-Q1580 VanDerWaalsContact C-N 3.34Å; L1578-Q1580 PolarHBondContact O-N 3.47Å; L1578-S1581 PolarHBondContact O-N 3.01Å; L1578-S1581 PolarHBondContact O-OG 3.48Å; L1578-F1582 HydrophobicContact CD2-CD2 4.44Å; L1578-F1582 HydrophobicContact CD2-CE2 4.38Å; L1578-F1582 PolarHBondContact O-N 3.33Å
1579E44.2Very low41.2Very low121 Ų121101.3 Ų101.357%0.56554%0.539SS*.Hα-helixtrans-59.6-41.5173-70.1-177.6128.400112.4S1575 K1576 F1582 N1583S1575-E1579 PolarHBondContact O-N 2.9Å; K1576-E1579 PolarHBondContact O-N 2.89Å; E1579-F1582 PolarHBondContact O-N 3.25Å; E1579-N1583 PolarHBondContact O-N 3.04Å; E1579-N1583 PolarHBondContact O-ND2 2.93Å
1580Q47.9Very low41.9Very low107 Ų10798.9 Ų98.950%0.552%0.521SS..Hα-helixtrans-62.3-44.3175.5-17163.355.100111.2K1576 E1577 L1578 F1582 N1583 D1584K1576-Q1580 WeakPolarHBondContact O-CB 3.42Å; K1576-Q1580 PolarHBondContact O-N 3.17Å; E1577-Q1580 PolarHBondContact O-N 3.22Å; L1578-Q1580 VanDerWaalsContact C-N 3.34Å; L1578-Q1580 PolarHBondContact O-N 3.47Å; Q1580-F1582 VanDerWaalsContact C-N 3.32Å; Q1580-F1582 PolarHBondContact O-N 3.15Å; Q1580-N1583 PolarHBondContact O-N 2.67Å; Q1580-D1584 PolarHBondContact NE2-OD1 2.8Å; Q1580-D1584 WeakPolarHBondContact O-CB 3.32Å; Q1580-D1584 VanDerWaalsContact O-CG 3.26Å; Q1580-D1584 PolarHBondContact O-N 3.1Å
1581S42.2Very low42.8Very low46 Ų4697.5 Ų97.532%0.32251%0.509SS..Hα-helixtrans-62.2-37.817777.30000112.7E1577 L1578 D1584 Q1585E1577-S1581 WeakPolarHBondContact O-CB 3.44Å; E1577-S1581 PolarHBondContact O-N 3.13Å; L1578-S1581 PolarHBondContact O-N 3.01Å; L1578-S1581 PolarHBondContact O-OG 3.48Å; S1581-D1584 PolarHBondContact O-N 2.91Å; S1581-Q1585 WeakPolarHBondContact O-CB 3.32Å; S1581-Q1585 WeakPolarHBondContact O-CG 3.25Å; S1581-Q1585 PolarHBondContact O-N 2.9Å
1582F43.3Very low43.6Very low103 Ų10395.2 Ų95.245%0.45249%0.491SS..Hα-helixtrans-66.4-43.5173.9-100-90000112Y1423 L1578 E1579 Q1580 Q1585 Q1586Y1423-F1582 WeakPolarHBondContact OH-CE1 3.28Å; L1578-F1582 HydrophobicContact CD2-CD2 4.44Å; L1578-F1582 HydrophobicContact CD2-CE2 4.38Å; L1578-F1582 PolarHBondContact O-N 3.33Å; E1579-F1582 PolarHBondContact O-N 3.25Å; Q1580-F1582 VanDerWaalsContact C-N 3.32Å; Q1580-F1582 PolarHBondContact O-N 3.15Å; F1582-Q1585 PolarHBondContact O-N 2.86Å; F1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; F1582-Q1586 PolarHBondContact O-N 3.18Å
1583N50.2Low44.5Very low102 Ų10289.8 Ų89.855%0.54547%0.474SS..Hα-helixtrans-63.6-40175.9-77.1-46.6000112E1579 Q1580 Q1586 S1587E1579-N1583 PolarHBondContact O-N 3.04Å; E1579-N1583 PolarHBondContact O-ND2 2.93Å; Q1580-N1583 PolarHBondContact O-N 2.67Å; N1583-Q1586 PolarHBondContact O-N 2.88Å; N1583-S1587 WeakPolarHBondContact O-CB 3.21Å; N1583-S1587 PolarHBondContact O-N 3.33Å
1584D45.2Very low45.4Very low80 Ų8088.4 Ų88.443%0.42846%0.456SS..Hα-helixtrans-68.5-39.8177.4-68.3-10000111.3Q1580 S1581 S1587 I1588Q1580-D1584 PolarHBondContact NE2-OD1 2.8Å; Q1580-D1584 WeakPolarHBondContact O-CB 3.32Å; Q1580-D1584 VanDerWaalsContact O-CG 3.26Å; Q1580-D1584 PolarHBondContact O-N 3.1Å; S1581-D1584 PolarHBondContact O-N 2.91Å; D1584-S1587 WeakPolarHBondContact O-CB 3.09Å; D1584-S1587 PolarHBondContact O-N 3.36Å; D1584-I1588 VanDerWaalsContact O-CG1 3.28Å; D1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; D1584-I1588 PolarHBondContact O-N 2.87Å
1585Q40.6Very low45.9Very low51 Ų5188.5 Ų88.524%0.23845%0.453CS..Hα-helixtrans-65.2-42.2172.7-74.7-172.68.800112.6S1581 F1582 S1587 I1588 M1589S1581-Q1585 WeakPolarHBondContact O-CB 3.32Å; S1581-Q1585 WeakPolarHBondContact O-CG 3.25Å; S1581-Q1585 PolarHBondContact O-N 2.9Å; F1582-Q1585 PolarHBondContact O-N 2.86Å; Q1585-S1587 VanDerWaalsContact C-N 3.33Å; Q1585-I1588 PolarHBondContact O-N 2.85Å; Q1585-M1589 PolarHBondContact O-N 2.9Å
1586Q48.2Very low46.3Very low91 Ų9189 Ų8943%0.42544%0.442SS..Hα-helixtrans-64.9-39.3175.4-172.764.950.900111F1582 N1583 M1589 N1590F1582-Q1586 WeakPolarHBondContact O-CB 3.47Å; F1582-Q1586 PolarHBondContact O-N 3.18Å; N1583-Q1586 PolarHBondContact O-N 2.88Å; Q1586-M1589 VanDerWaalsContact NE2-CE 3.32Å; Q1586-M1589 PolarHBondContact O-N 2.91Å; Q1586-N1590 PolarHBondContact NE2-OD1 3.29Å; Q1586-N1590 VanDerWaalsContact O-CB 3.31Å; Q1586-N1590 WeakPolarHBondContact O-CB 3.33Å; Q1586-N1590 PolarHBondContact O-N 3.18Å; Q1586-N1590 PolarHBondContact O-OD1 3.36Å
1587S44.1Very low46.8Very low65 Ų6587 Ų8746%0.45544%0.435SS..Hα-helixtrans-60.8-44.9173.2-179.90000112.1N1583 D1584 Q1585 T1591N1583-S1587 WeakPolarHBondContact O-CB 3.21Å; N1583-S1587 PolarHBondContact O-N 3.33Å; D1584-S1587 WeakPolarHBondContact O-CB 3.09Å; D1584-S1587 PolarHBondContact O-N 3.36Å; Q1585-S1587 VanDerWaalsContact C-N 3.33Å; S1587-T1591 VanDerWaalsContact O-CB 3.3Å; S1587-T1591 WeakPolarHBondContact O-CB 3.49Å; S1587-T1591 PolarHBondContact O-N 3.06Å; S1587-T1591 PolarHBondContact O-OG1 3.18Å
1588I49.9Very low47.3Very low91 Ų9184.4 Ų84.447%0.46742%0.419SS..Hα-helixtrans-62.6-46.5173.9-69162.8000110.8L1415 D1584 Q1585 T1591 T1592L1415-I1588 HydrophobicContact CD1-CG2 4.4Å; L1415-I1588 HydrophobicContact CD2-CG2 4.31Å; D1584-I1588 VanDerWaalsContact O-CG1 3.28Å; D1584-I1588 WeakPolarHBondContact O-CG1 3.36Å; D1584-I1588 PolarHBondContact O-N 2.87Å; Q1585-I1588 PolarHBondContact O-N 2.85Å; I1588-T1591 WeakPolarHBondContact O-CB 3.49Å; I1588-T1591 PolarHBondContact O-N 3.41Å; I1588-T1592 WeakPolarHBondContact O-CG2 3.14Å; I1588-T1592 PolarHBondContact O-N 3.11Å
1589M44.3Very low47.7Very low67 Ų6783.2 Ų83.233%0.3342%0.415SS..Hα-helixtrans-60.3-49.7178.3-175.8164.763.300111.4Q1585 Q1586 T1591 T1592 Q1593Q1585-M1589 PolarHBondContact O-N 2.9Å; Q1586-M1589 VanDerWaalsContact NE2-CE 3.32Å; Q1586-M1589 PolarHBondContact O-N 2.91Å; M1589-T1591 VanDerWaalsContact C-N 3.27Å; M1589-T1591 PolarHBondContact O-N 2.95Å; M1589-T1592 PolarHBondContact O-N 2.82Å; M1589-T1592 VanDerWaalsContact O-N 3.14Å; M1589-T1592 PolarHBondContact O-OG1 2.76Å; M1589-Q1593 WeakPolarHBondContact O-CG 3.28Å; M1589-Q1593 PolarHBondContact O-N 2.86Å
1590N46.7Very low48.1Very low78 Ų7880.5 Ų80.542%0.41741%0.407SS..Hα-helixtrans-56.7-41.5174.6-67.9-1.6000111.1Q1586 T1592 Q1593 F1594Q1586-N1590 PolarHBondContact NE2-OD1 3.29Å; Q1586-N1590 VanDerWaalsContact O-CB 3.31Å; Q1586-N1590 WeakPolarHBondContact O-CB 3.33Å; Q1586-N1590 PolarHBondContact O-N 3.18Å; Q1586-N1590 PolarHBondContact O-OD1 3.36Å; N1590-T1592 PolarHBondContact O-N 3.1Å; N1590-Q1593 PolarHBondContact O-N 3.43Å; N1590-F1594 VanDerWaalsContact O-CB 3.32Å; N1590-F1594 WeakPolarHBondContact O-CB 3.25Å; N1590-F1594 PolarHBondContact O-N 3.4Å
1591T47.3Very low48.6Very low68 Ų6879.2 Ų79.242%0.41740%0.401SS..Hα-helixtrans-63.3-41.3177-59.20000111.9S1587 I1588 M1589 Q1593 F1594 L1595S1587-T1591 VanDerWaalsContact O-CB 3.3Å; S1587-T1591 WeakPolarHBondContact O-CB 3.49Å; S1587-T1591 PolarHBondContact O-N 3.06Å; S1587-T1591 PolarHBondContact O-OG1 3.18Å; I1588-T1591 WeakPolarHBondContact O-CB 3.49Å; I1588-T1591 PolarHBondContact O-N 3.41Å; M1589-T1591 VanDerWaalsContact C-N 3.27Å; M1589-T1591 PolarHBondContact O-N 2.95Å; T1591-Q1593 VanDerWaalsContact C-N 3.34Å; T1591-Q1593 PolarHBondContact O-N 3.1Å; T1591-F1594 PolarHBondContact O-N 3.33Å; T1591-L1595 HydrophobicContact CG2-CD1 4.02Å; T1591-L1595 HydrophobicContact CG2-CG 4.43Å; T1591-L1595 VanDerWaalsContact O-CB 3.31Å; T1591-L1595 WeakPolarHBondContact O-CB 3.42Å; T1591-L1595 VanDerWaalsContact O-CG 3.27Å; T1591-L1595 WeakPolarHBondContact O-CG 3.48Å; T1591-L1595 PolarHBondContact O-N 3.34Å
1592T46.1Very low49.1Very low38 Ų3880.2 Ų80.223%0.23340%0.4CS..Hα-helixtrans-70.9-26.7175.270.20000113.5L1415 I1588 M1589 N1590 R1596L1415-T1592 HydrophobicContact CD2-CG2 4.3Å; I1588-T1592 WeakPolarHBondContact O-CG2 3.14Å; I1588-T1592 PolarHBondContact O-N 3.11Å; M1589-T1592 PolarHBondContact O-N 2.82Å; M1589-T1592 VanDerWaalsContact O-N 3.14Å; M1589-T1592 PolarHBondContact O-OG1 2.76Å; N1590-T1592 PolarHBondContact O-N 3.1Å; T1592-R1596 WeakPolarHBondContact O-CB 3.46Å; T1592-R1596 PolarHBondContact O-N 2.83Å; T1592-R1596 PolarHBondContact O-NE 3.03Å; T1592-R1596 VanDerWaalsContact O-NE 3.09Å; T1592-R1596 PolarHBondContact OG1-NH2 3.03Å; T1592-R1596 VanDerWaalsContact OG1-NH2 3.07Å
1593Q51.4Low49.6Very low103 Ų10377.1 Ų77.148%0.48139%0.388SS..Hα-helixtrans-74.6-44.7173.4-69.4177.75.800110.8M1589 N1590 T1591 R1596 Q1597M1589-Q1593 WeakPolarHBondContact O-CG 3.28Å; M1589-Q1593 PolarHBondContact O-N 2.86Å; N1590-Q1593 PolarHBondContact O-N 3.43Å; T1591-Q1593 VanDerWaalsContact C-N 3.34Å; T1591-Q1593 PolarHBondContact O-N 3.1Å; Q1593-R1596 VanDerWaalsContact O-CB 3.23Å; Q1593-R1596 WeakPolarHBondContact O-CB 3.49Å; Q1593-R1596 PolarHBondContact O-N 2.87Å; Q1593-Q1597 PolarHBondContact O-N 3.49Å
1594F50Low50Low103 Ų10376.2 Ų76.245%0.45238%0.383SS..Hα-helixtrans-62.3-43.2174.6179.6-100.1000112.5N1590 T1591 Q1597 R1598N1590-F1594 VanDerWaalsContact O-CB 3.32Å; N1590-F1594 WeakPolarHBondContact O-CB 3.25Å; N1590-F1594 PolarHBondContact O-N 3.4Å; T1591-F1594 PolarHBondContact O-N 3.33Å; F1594-Q1597 PolarHBondContact O-N 2.93Å; F1594-R1598 HydrophobicContact CD1-CG 4.33Å; F1594-R1598 HydrophobicContact CE1-CG 4Å; F1594-R1598 HydrophobicContact CE2-CG 4.27Å; F1594-R1598 HydrophobicContact CZ-CG 3.99Å; F1594-R1598 WeakPolarHBondContact O-CB 3.35Å; F1594-R1598 PolarHBondContact O-N 2.73Å
1595L48.4Very low50.8Low92 Ų9277.7 Ų77.748%0.48239%0.387SS..Hα-helixtrans-62.6-40.5173.7-77.5169.8000112T1591 V1599T1591-L1595 HydrophobicContact CG2-CD1 4.02Å; T1591-L1595 HydrophobicContact CG2-CG 4.43Å; T1591-L1595 VanDerWaalsContact O-CB 3.31Å; T1591-L1595 WeakPolarHBondContact O-CB 3.42Å; T1591-L1595 VanDerWaalsContact O-CG 3.27Å; T1591-L1595 WeakPolarHBondContact O-CG 3.48Å; T1591-L1595 PolarHBondContact O-N 3.34Å; L1595-V1599 VanDerWaalsContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.17Å; L1595-V1599 PolarHBondContact O-N 2.82Å
1596R49Very low51.4Low96 Ų9678.2 Ų78.236%0.36239%0.388SS..Hα-helixtrans-56.2-54.6170.8-108.8173.9-79.2-117-7.6111D1412 T1592 Q1593 V1599 T1600D1412-R1596 IonicContact OD1-CZ 3.24Å; D1412-R1596 IonicContact OD1-NH1 2.82Å; D1412-R1596 PolarHBondContact OD1-NH1 2.81Å; D1412-R1596 IonicContact OD1-NH2 3.59Å; D1412-R1596 PolarHBondContact OD1-NH2 2.89Å; D1412-R1596 IonicContact OD2-CZ 3.29Å; D1412-R1596 IonicContact OD2-NH1 2.74Å; D1412-R1596 PolarHBondContact OD2-NH1 2.93Å; D1412-R1596 IonicContact OD2-NH2 3Å; T1592-R1596 WeakPolarHBondContact O-CB 3.46Å; T1592-R1596 PolarHBondContact O-N 2.83Å; T1592-R1596 PolarHBondContact O-NE 3.03Å; T1592-R1596 VanDerWaalsContact O-NE 3.09Å; T1592-R1596 PolarHBondContact OG1-NH2 3.03Å; T1592-R1596 VanDerWaalsContact OG1-NH2 3.07Å; Q1593-R1596 VanDerWaalsContact O-CB 3.23Å; Q1593-R1596 WeakPolarHBondContact O-CB 3.49Å; Q1593-R1596 PolarHBondContact O-N 2.87Å; R1596-V1599 PolarHBondContact O-N 2.57Å; R1596-T1600 PolarHBondContact O-N 3.32Å; R1596-T1600 PolarHBondContact O-OG1 3.34Å
1597Q56.5Low51.7Low112 Ų11275.7 Ų75.752%0.52338%0.378SS..Hα-helixtrans-59.6-52.2-176.9178.9169.4-7.600111.3Q1593 F1594 V1599 T1600 E1601Q1593-Q1597 PolarHBondContact O-N 3.49Å; F1594-Q1597 PolarHBondContact O-N 2.93Å; Q1597-V1599 VanDerWaalsContact C-N 3.3Å; Q1597-V1599 PolarHBondContact O-N 3.49Å; Q1597-T1600 PolarHBondContact O-N 3.4Å; Q1597-T1600 VanDerWaalsContact O-N 3.16Å; Q1597-E1601 VanDerWaalsContact CG-CD 3.48Å; Q1597-E1601 HydrophobicContact CG-CG 4.23Å; Q1597-E1601 WeakPolarHBondContact CG-OE1 3.31Å; Q1597-E1601 PolarHBondContact NE2-OE1 2.77Å; Q1597-E1601 WeakPolarHBondContact O-CB 3.44Å; Q1597-E1601 VanDerWaalsContact O-CG 3.28Å; Q1597-E1601 WeakPolarHBondContact O-CG 3.37Å; Q1597-E1601 PolarHBondContact O-N 3.3Å
1598R54.4Low52.3Low82 Ų8276 Ų7631%0.30938%0.375SS..Hα-helixtrans-58-37.5176.3-76.9-78.5-173.6107.4-0.4113.1F1594 H1602F1594-R1598 HydrophobicContact CD1-CG 4.33Å; F1594-R1598 HydrophobicContact CE1-CG 4Å; F1594-R1598 HydrophobicContact CE2-CG 4.27Å; F1594-R1598 HydrophobicContact CZ-CG 3.99Å; F1594-R1598 WeakPolarHBondContact O-CB 3.35Å; F1594-R1598 PolarHBondContact O-N 2.73Å; R1598-H1602 WeakPolarHBondContact O-CB 3.47Å; R1598-H1602 PolarHBondContact O-CD2 2.84Å; R1598-H1602 PolarHBondContact O-N 2.7Å
1599V51.4Low52.8Low51 Ų5175.3 Ų75.331%0.30937%0.366SS..Hα-helixtrans-70.3-41.8176.7167.20000111.5L1595 R1596 Q1597 L1603L1595-V1599 VanDerWaalsContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CB 3.3Å; L1595-V1599 WeakPolarHBondContact O-CG2 3.17Å; L1595-V1599 PolarHBondContact O-N 2.82Å; R1596-V1599 PolarHBondContact O-N 2.57Å; Q1597-V1599 VanDerWaalsContact C-N 3.3Å; Q1597-V1599 PolarHBondContact O-N 3.49Å; V1599-L1603 HydrophobicContact CG1-CD1 4.12Å; V1599-L1603 VanDerWaalsContact O-CB 3.32Å; V1599-L1603 WeakPolarHBondContact O-CB 3.44Å; V1599-L1603 WeakPolarHBondContact O-CG 3.5Å; V1599-L1603 PolarHBondContact O-N 3.43Å
1600T53.6Low53.2Low64 Ų6474.9 Ų74.939%0.39336%0.362SS..Hα-helixtrans-67.8-41.7176.1-62.70000111.9R1596 Q1597 L1603 I1604R1596-T1600 PolarHBondContact O-N 3.32Å; R1596-T1600 PolarHBondContact O-OG1 3.34Å; Q1597-T1600 PolarHBondContact O-N 3.4Å; Q1597-T1600 VanDerWaalsContact O-N 3.16Å; T1600-L1603 WeakPolarHBondContact O-CB 3.4Å; T1600-L1603 PolarHBondContact O-N 3.31Å; T1600-I1604 HydrophobicContact CG2-CD1 3.9Å; T1600-I1604 VanDerWaalsContact O-CG1 3.31Å; T1600-I1604 WeakPolarHBondContact O-CG1 3.42Å; T1600-I1604 PolarHBondContact O-N 2.93Å
1601E58.3Low53.4Low81 Ų8171.7 Ų71.738%0.37935%0.346SS..Hα-helixtrans-60.1-52.7175.2-74.4167169.300110.8Q1597 L1603 I1604 E1605Q1597-E1601 VanDerWaalsContact CG-CD 3.48Å; Q1597-E1601 HydrophobicContact CG-CG 4.23Å; Q1597-E1601 WeakPolarHBondContact CG-OE1 3.31Å; Q1597-E1601 PolarHBondContact NE2-OE1 2.77Å; Q1597-E1601 WeakPolarHBondContact O-CB 3.44Å; Q1597-E1601 VanDerWaalsContact O-CG 3.28Å; Q1597-E1601 WeakPolarHBondContact O-CG 3.37Å; Q1597-E1601 PolarHBondContact O-N 3.3Å; E1601-L1603 VanDerWaalsContact C-N 3.3Å; E1601-L1603 PolarHBondContact O-N 3.37Å; E1601-I1604 PolarHBondContact O-N 2.85Å; E1601-I1604 VanDerWaalsContact O-N 3.11Å; E1601-E1605 WeakPolarHBondContact O-CG 3.47Å; E1601-E1605 PolarHBondContact O-N 2.78Å
1602H51.6Low53.7Low67 Ų6773.4 Ų73.431%0.3135%0.352SS..Hα-helixtrans-65-29.3176.4-75.1-32.8000113.7R1598 E1605 F1606R1598-H1602 WeakPolarHBondContact O-CB 3.47Å; R1598-H1602 PolarHBondContact O-CD2 2.84Å; R1598-H1602 PolarHBondContact O-N 2.7Å; H1602-E1605 IonicContact CE1-OE2 2.75Å; H1602-E1605 IonicContact CG-OE2 2.76Å; H1602-E1605 IonicContact ND1-OE2 3.02Å; H1602-E1605 PolarHBondContact ND1-OE2 3.13Å; H1602-F1606 WeakPolarHBondContact O-CB 3.47Å; H1602-F1606 PolarHBondContact O-N 3.18Å
1603L53.5Low53.9Low38 Ų3872.5 Ų72.520%0.19935%0.347CS..Hα-helixtrans-63.1-44.6170.6-96.7162.7000111.6L1401 V1599 T1600 E1601 L1607 L1638L1401-L1603 HydrophobicContact CD1-CD2 3.83Å; L1401-L1603 HydrophobicContact CD2-CD2 3.99Å; L1401-L1603 HydrophobicContact CD2-CG 4.34Å; L1401-L1603 HydrophobicContact CG-CD2 4.42Å; V1599-L1603 HydrophobicContact CG1-CD1 4.12Å; V1599-L1603 VanDerWaalsContact O-CB 3.32Å; V1599-L1603 WeakPolarHBondContact O-CB 3.44Å; V1599-L1603 WeakPolarHBondContact O-CG 3.5Å; V1599-L1603 PolarHBondContact O-N 3.43Å; T1600-L1603 WeakPolarHBondContact O-CB 3.4Å; T1600-L1603 PolarHBondContact O-N 3.31Å; E1601-L1603 VanDerWaalsContact C-N 3.3Å; E1601-L1603 PolarHBondContact O-N 3.37Å; L1603-L1607 WeakPolarHBondContact O-CB 3.23Å; L1603-L1607 VanDerWaalsContact O-CG 3.32Å; L1603-L1607 WeakPolarHBondContact O-CG 3.5Å; L1603-L1607 PolarHBondContact O-N 3.01Å; L1603-L1638 HydrophobicContact CB-CD2 4.48Å; L1603-L1638 HydrophobicContact CD1-CD2 4.44Å
1604I60Low53.6Low83 Ų8371.2 Ų71.243%0.42634%0.341SS..Hα-helixtrans-69.3-44178.9-68.6165.1000110.6T1600 E1601 L1607 N1608T1600-I1604 HydrophobicContact CG2-CD1 3.9Å; T1600-I1604 VanDerWaalsContact O-CG1 3.31Å; T1600-I1604 WeakPolarHBondContact O-CG1 3.42Å; T1600-I1604 PolarHBondContact O-N 2.93Å; E1601-I1604 PolarHBondContact O-N 2.85Å; E1601-I1604 VanDerWaalsContact O-N 3.11Å; I1604-L1607 PolarHBondContact O-N 2.86Å; I1604-N1608 WeakPolarHBondContact CG2-ND2 3.32Å; I1604-N1608 VanDerWaalsContact O-CB 3.31Å; I1604-N1608 WeakPolarHBondContact O-CB 3.43Å; I1604-N1608 VanDerWaalsContact O-CG 3.3Å; I1604-N1608 PolarHBondContact O-N 3.22Å; I1604-N1608 PolarHBondContact O-ND2 3.14Å
1605E60.7Low53.2Low111 Ų11168 Ų6852%0.51933%0.328SS..Hα-helixtrans-59.6-46.4173.1-71.3-176.3136.600111.7E1601 H1602 N1608 W1609E1601-E1605 WeakPolarHBondContact O-CG 3.47Å; E1601-E1605 PolarHBondContact O-N 2.78Å; H1602-E1605 IonicContact CE1-OE2 2.75Å; H1602-E1605 IonicContact CG-OE2 2.76Å; H1602-E1605 IonicContact ND1-OE2 3.02Å; H1602-E1605 PolarHBondContact ND1-OE2 3.13Å; E1605-N1608 PolarHBondContact O-N 3.18Å; E1605-W1609 WeakPolarHBondContact O-CB 3.34Å; E1605-W1609 PolarHBondContact O-N 2.95Å
1606F54.4Low52.5Low61 Ų6170.2 Ų70.227%0.26833%0.334SS..Hα-helixtrans-64.1-42.8-179.9177.9-106.3000112.4V1397 L1511 H1602 W1609 F1610V1397-F1606 HydrophobicContact CG1-CE1 4.31Å; L1511-F1606 HydrophobicContact CD2-CE2 3.48Å; L1511-F1606 VanDerWaalsContact CD2-CE2 3.48Å; L1511-F1606 HydrophobicContact CD2-CZ 3.67Å; H1602-F1606 WeakPolarHBondContact O-CB 3.47Å; H1602-F1606 PolarHBondContact O-N 3.18Å; F1606-W1609 HydrophobicContact CD2-CE3 4.04Å; F1606-W1609 HydrophobicContact CD2-CZ3 4.46Å; F1606-W1609 AromaticContact CE2-CE3 3.84Å; F1606-W1609 HydrophobicContact CE2-CE3 3.84Å; F1606-W1609 AromaticContact CE2-CZ3 3.82Å; F1606-W1609 HydrophobicContact CE2-CZ3 3.82Å; F1606-W1609 PolarHBondContact O-N 2.99Å; F1606-F1610 VanDerWaalsContact O-CB 3.27Å; F1606-F1610 WeakPolarHBondContact O-CB 3.27Å; F1606-F1610 PolarHBondContact O-N 3.35Å
1607L53.6Low51.9Low38 Ų3871.6 Ų71.620%0.19935%0.345CS..Hα-helixtrans-70.6-37.7177.6-72.8169.8000112.2L1603 I1604 F1610 V1611 L1634 L1638L1603-L1607 WeakPolarHBondContact O-CB 3.23Å; L1603-L1607 VanDerWaalsContact O-CG 3.32Å; L1603-L1607 WeakPolarHBondContact O-CG 3.5Å; L1603-L1607 PolarHBondContact O-N 3.01Å; I1604-L1607 PolarHBondContact O-N 2.86Å; L1607-F1610 PolarHBondContact O-N 3.34Å; L1607-V1611 WeakPolarHBondContact O-CB 3.49Å; L1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; L1607-V1611 PolarHBondContact O-N 3.21Å; L1607-L1634 HydrophobicContact CD2-CD1 4.43Å; L1607-L1634 HydrophobicContact CD2-CD2 4.28Å; L1607-L1638 HydrophobicContact CD1-CD1 3.44Å; L1607-L1638 VanDerWaalsContact CD1-CD1 3.44Å
1608N57Low50.8Low73 Ų7369.4 Ų69.439%0.3934%0.339SS..Hα-helixtrans-61.9-45.4171.5-78.9-42.8000111.2I1604 E1605 V1611 L1612I1604-N1608 WeakPolarHBondContact CG2-ND2 3.32Å; I1604-N1608 VanDerWaalsContact O-CB 3.31Å; I1604-N1608 WeakPolarHBondContact O-CB 3.43Å; I1604-N1608 VanDerWaalsContact O-CG 3.3Å; I1604-N1608 PolarHBondContact O-N 3.22Å; I1604-N1608 PolarHBondContact O-ND2 3.14Å; E1605-N1608 PolarHBondContact O-N 3.18Å; N1608-V1611 PolarHBondContact O-N 3.44Å; N1608-L1612 WeakPolarHBondContact O-CB 3.41Å; N1608-L1612 WeakPolarHBondContact O-CD1 3.35Å; N1608-L1612 VanDerWaalsContact O-CG 3.23Å; N1608-L1612 WeakPolarHBondContact O-CG 3.18Å; N1608-L1612 PolarHBondContact O-N 3.28Å
1609W60.5Low49.7Very low75 Ų7573.6 Ų73.628%0.28436%0.362SS..Hα-helixtrans-61.6-45.1175175.177.5000111.9I1515 E1605 F1606 L1612 S1613I1515-W1609 HydrophobicContact CD1-CH2 4Å; I1515-W1609 HydrophobicContact CD1-CZ2 4.03Å; E1605-W1609 WeakPolarHBondContact O-CB 3.34Å; E1605-W1609 PolarHBondContact O-N 2.95Å; F1606-W1609 HydrophobicContact CD2-CE3 4.04Å; F1606-W1609 HydrophobicContact CD2-CZ3 4.46Å; F1606-W1609 AromaticContact CE2-CE3 3.84Å; F1606-W1609 HydrophobicContact CE2-CE3 3.84Å; F1606-W1609 AromaticContact CE2-CZ3 3.82Å; F1606-W1609 HydrophobicContact CE2-CZ3 3.82Å; F1606-W1609 PolarHBondContact O-N 2.99Å; W1609-L1612 PolarHBondContact O-N 3.23Å; W1609-S1613 PolarHBondContact NE1-OG 3.13Å; W1609-S1613 VanDerWaalsContact O-CB 3.25Å; W1609-S1613 WeakPolarHBondContact O-CB 3.39Å; W1609-S1613 PolarHBondContact O-N 3.06Å; W1609-S1613 PolarHBondContact O-OG 3.13Å
1610F52.4Low48.7Very low58 Ų5876.7 Ų76.725%0.25438%0.376SS..Hα-helixtrans-61.7-46178-179.9-98.2000112T1394 F1606 L1607 Q1614T1394-F1610 HydrophobicContact CG2-CE2 4.39Å; T1394-F1610 HydrophobicContact CG2-CZ 4.12Å; F1606-F1610 VanDerWaalsContact O-CB 3.27Å; F1606-F1610 WeakPolarHBondContact O-CB 3.27Å; F1606-F1610 PolarHBondContact O-N 3.35Å; L1607-F1610 PolarHBondContact O-N 3.34Å; F1610-Q1614 HydrophobicContact CD2-CG 4.16Å; F1610-Q1614 HydrophobicContact CE2-CG 4.11Å; F1610-Q1614 VanDerWaalsContact O-CB 3.28Å; F1610-Q1614 WeakPolarHBondContact O-CB 3.36Å; F1610-Q1614 WeakPolarHBondContact O-CG 3.32Å; F1610-Q1614 PolarHBondContact O-N 3Å; F1610-Q1614 VanDerWaalsContact O-N 3.08Å
1611V50.7Low47.7Very low11 Ų1183.6 Ų83.67%0.06740%0.4CS..Hα-helixtrans-62.1-48.4176.4165.60000110.8L1607 N1608 I1615L1607-V1611 WeakPolarHBondContact O-CB 3.49Å; L1607-V1611 WeakPolarHBondContact O-CG2 3.48Å; L1607-V1611 PolarHBondContact O-N 3.21Å; N1608-V1611 PolarHBondContact O-N 3.44Å; V1611-I1615 HydrophobicContact CG1-CD1 4.4Å; V1611-I1615 VanDerWaalsContact O-CB 3.27Å; V1611-I1615 WeakPolarHBondContact O-CB 3.44Å; V1611-I1615 PolarHBondContact O-N 2.85Å; V1611-I1615 VanDerWaalsContact O-N 3.1Å
1612L52.9Low46.8Very low105 Ų10582.4 Ų82.455%0.5540%0.398SS..Hα-helixtrans-63.8-52.5179.4-71.3166.9000111.8N1608 W1609 Q1614 F1616N1608-L1612 WeakPolarHBondContact O-CB 3.41Å; N1608-L1612 WeakPolarHBondContact O-CD1 3.35Å; N1608-L1612 VanDerWaalsContact O-CG 3.23Å; N1608-L1612 WeakPolarHBondContact O-CG 3.18Å; N1608-L1612 PolarHBondContact O-N 3.28Å; W1609-L1612 PolarHBondContact O-N 3.23Å; L1612-Q1614 VanDerWaalsContact C-N 3.34Å; L1612-Q1614 PolarHBondContact O-N 3.14Å; L1612-F1616 HydrophobicContact CD2-CD2 4.45Å; L1612-F1616 WeakPolarHBondContact O-CB 3.3Å; L1612-F1616 PolarHBondContact O-N 3.41Å
1613S51.6Low46.4Very low19 Ų1984.7 Ų84.713%0.13341%0.413CS..Hα-helixtrans-78.8-7.1-172.9-61.40000115.2W1609W1609-S1613 PolarHBondContact NE1-OG 3.13Å; W1609-S1613 VanDerWaalsContact O-CB 3.25Å; W1609-S1613 WeakPolarHBondContact O-CB 3.39Å; W1609-S1613 PolarHBondContact O-N 3.06Å; W1609-S1613 PolarHBondContact O-OG 3.13Å
1614Q45.1Very low46Very low75 Ų7587.6 Ų87.635%0.3543%0.426SS..Hα-helixtrans-119.2-17.9177.2-60.7-65.8-70.100114.1F1610 L1612F1610-Q1614 HydrophobicContact CD2-CG 4.16Å; F1610-Q1614 HydrophobicContact CE2-CG 4.11Å; F1610-Q1614 VanDerWaalsContact O-CB 3.28Å; F1610-Q1614 WeakPolarHBondContact O-CB 3.36Å; F1610-Q1614 WeakPolarHBondContact O-CG 3.32Å; F1610-Q1614 PolarHBondContact O-N 3Å; F1610-Q1614 VanDerWaalsContact O-N 3.08Å; L1612-Q1614 VanDerWaalsContact C-N 3.34Å; L1612-Q1614 PolarHBondContact O-N 3.14Å
1615I40.9Very low45.1Very low37 Ų3789.1 Ų89.119%0.1944%0.435CS..Hα-helixtrans-101.1-31.3176.7-60.9179.8000112.1V1611 V1622V1611-I1615 HydrophobicContact CG1-CD1 4.4Å; V1611-I1615 VanDerWaalsContact O-CB 3.27Å; V1611-I1615 WeakPolarHBondContact O-CB 3.44Å; V1611-I1615 PolarHBondContact O-N 2.85Å; V1611-I1615 VanDerWaalsContact O-N 3.1Å; I1615-V1622 HydrophobicContact CG2-CB 4.06Å; I1615-V1622 HydrophobicContact CG2-CG2 3.77Å
1616F34.1Very low44.4Very low138 Ų13888.2 Ų88.261%0.60543%0.433SS*.SBendtrans-105.7-13.2-173.4-67.5-89000115.6L1612L1612-F1616 HydrophobicContact CD2-CD2 4.45Å; L1612-F1616 WeakPolarHBondContact O-CB 3.3Å; L1612-F1616 PolarHBondContact O-N 3.41Å
1617E37.1Very low43.8Very low124 Ų12487.8 Ų87.858%0.57943%0.429SS*.SBendtrans-92.45.1171.7-70-170.3170.300113.5
1618T32.3Very low43.8Very low67 Ų6790.4 Ų90.441%0.41144%0.441SS..SBendtrans-118.6142.8166.569.60000109.1I1620T1618-I1620 PolarHBondContact O-N 3.39Å
1619E30.8Very low43.7Very low169 Ų16992 Ų9279%0.7945%0.449SS*.  trans-72.219.2-176.3-60.7-174.3118.300114.2K1621E1619-K1621 PolarHBondContact O-N 3.17Å
1620I32Very low43Very low116 Ų11691.5 Ų91.560%0.59545%0.451SS*.  trans-78.2102.8178.7-56.7177.2000108.2T1618 V1622T1618-I1620 PolarHBondContact O-N 3.39Å; I1620-V1622 HydrophobicContact CG2-CG2 4.31Å; I1620-V1622 PolarHBondContact O-N 2.93Å
1621K32.9Very low42.8Very low210 Ų21091.4 Ų91.491%0.91345%0.452SS*.  trans-6195.3168.5-68-176.7-179.9179.40110E1619E1619-K1621 PolarHBondContact O-N 3.17Å
1622V38.3Very low42.9Very low55 Ų5595.7 Ų95.733%0.33347%0.474SS..  trans-75.6135170.1172.50000109I1615 I1620 L1626I1615-V1622 HydrophobicContact CG2-CB 4.06Å; I1615-V1622 HydrophobicContact CG2-CG2 3.77Å; I1620-V1622 HydrophobicContact CG2-CG2 4.31Å; I1620-V1622 PolarHBondContact O-N 2.93Å; V1622-L1626 HydrophobicContact CG1-CB 4.19Å; V1622-L1626 HydrophobicContact CG1-CD2 4.26Å; V1622-L1626 HydrophobicContact CG1-CG 4.31Å
1623D42.7Very low43Very low116 Ų11696 Ų9662%0.6247%0.473SS*.  trans-67.6142.3-179.3-144.7-21.9000111.1D1625 L1626 W1627D1623-D1625 VanDerWaalsContact C-N 3.3Å; D1623-D1625 PolarHBondContact O-N 3.06Å; D1623-L1626 HydrophobicContact CB-CB 4.23Å; D1623-L1626 WeakPolarHBondContact O-CA 3.39Å; D1623-L1626 WeakPolarHBondContact O-CB 3.35Å; D1623-L1626 PolarHBondContact O-N 3.23Å; D1623-W1627 PolarHBondContact O-N 2.88Å
1624Q45.6Very low42.7Very low99 Ų9997.7 Ų97.746%0.46348%0.48SS..Hα-helixtrans-59.9-43.8-176.1179.665.421.900110.6L1626 W1627 E1628Q1624-L1626 PolarHBondContact O-N 3.27Å; Q1624-W1627 PolarHBondContact O-N 3.08Å; Q1624-W1627 VanDerWaalsContact O-N 3.14Å; Q1624-E1628 PolarHBondContact NE2-OE1 3.21Å; Q1624-E1628 PolarHBondContact O-N 3.05Å
1625D42.5Very low42.8Very low115 Ų115102.3 Ų102.362%0.61549%0.494SS*.Hα-helixtrans-55.5-35.2174.3-7617.9000112.3D1623 N1629D1623-D1625 VanDerWaalsContact C-N 3.3Å; D1623-D1625 PolarHBondContact O-N 3.06Å; D1625-N1629 WeakPolarHBondContact O-CB 3.5Å; D1625-N1629 PolarHBondContact O-N 2.82Å; D1625-N1629 PolarHBondContact O-ND2 3.15Å
1626L44.9Very low43.1Very low91 Ų91106.6 Ų106.648%0.47651%0.512SS..Hα-helixtrans-78-36.3179.8-174.158.4000111.6V1622 D1623 Q1624 I1630V1622-L1626 HydrophobicContact CG1-CB 4.19Å; V1622-L1626 HydrophobicContact CG1-CD2 4.26Å; V1622-L1626 HydrophobicContact CG1-CG 4.31Å; D1623-L1626 HydrophobicContact CB-CB 4.23Å; D1623-L1626 WeakPolarHBondContact O-CA 3.39Å; D1623-L1626 WeakPolarHBondContact O-CB 3.35Å; D1623-L1626 PolarHBondContact O-N 3.23Å; Q1624-L1626 PolarHBondContact O-N 3.27Å; L1626-I1630 HydrophobicContact CD1-CD1 4.01Å; L1626-I1630 HydrophobicContact CD1-CG1 4.29Å; L1626-I1630 HydrophobicContact CG-CD1 3.96Å; L1626-I1630 WeakPolarHBondContact O-CB 3.44Å; L1626-I1630 WeakPolarHBondContact O-CD1 3.3Å; L1626-I1630 VanDerWaalsContact O-CG1 3.25Å; L1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; L1626-I1630 PolarHBondContact O-N 3.32Å
1627W41.5Very low43.5Very low53 Ų53105.2 Ų105.220%0.20151%0.507CS..Hα-helixtrans-62.5-45.6171.5178.781.4000111.5D1623 Q1624 I1630 Q1631D1623-W1627 PolarHBondContact O-N 2.88Å; Q1624-W1627 PolarHBondContact O-N 3.08Å; Q1624-W1627 VanDerWaalsContact O-N 3.14Å; W1627-I1630 PolarHBondContact O-N 3.38Å; W1627-Q1631 HydrophobicContact CD2-CG 4.22Å; W1627-Q1631 HydrophobicContact CH2-CG 4.43Å; W1627-Q1631 HydrophobicContact CZ2-CG 3.93Å; W1627-Q1631 WeakPolarHBondContact O-CB 3.36Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.42Å; W1627-Q1631 PolarHBondContact O-N 3.35Å
1628E54Low43.6Very low93 Ų93102.2 Ų102.244%0.43550%0.495SS..Hα-helixtrans-66.3-43.8178.4-66.4-170.8-169.900112.1Q1624 I1630 Q1631 D1632Q1624-E1628 PolarHBondContact NE2-OE1 3.21Å; Q1624-E1628 PolarHBondContact O-N 3.05Å; E1628-I1630 PolarHBondContact O-N 3.3Å; E1628-Q1631 PolarHBondContact O-N 3.33Å; E1628-D1632 WeakPolarHBondContact O-CB 3.46Å; E1628-D1632 PolarHBondContact O-N 3.08Å
1629N54.3Low44Very low107 Ų107102.9 Ų102.957%0.57250%0.503SS*.Hα-helixtrans-61.5-40.3175.4-85.4-92.4000112.5D1625 E1633D1625-N1629 WeakPolarHBondContact O-CB 3.5Å; D1625-N1629 PolarHBondContact O-N 2.82Å; D1625-N1629 PolarHBondContact O-ND2 3.15Å; N1629-E1633 VanDerWaalsContact O-CB 3.3Å; N1629-E1633 WeakPolarHBondContact O-CB 3.26Å; N1629-E1633 PolarHBondContact O-N 3.29Å
1630I46.2Very low44Very low63 Ų6399.8 Ų99.832%0.32348%0.484SS..Hα-helixtrans-69.1-40.3178.1-70.6168.6000111L1626 W1627 E1628 L1634L1626-I1630 HydrophobicContact CD1-CD1 4.01Å; L1626-I1630 HydrophobicContact CD1-CG1 4.29Å; L1626-I1630 HydrophobicContact CG-CD1 3.96Å; L1626-I1630 WeakPolarHBondContact O-CB 3.44Å; L1626-I1630 WeakPolarHBondContact O-CD1 3.3Å; L1626-I1630 VanDerWaalsContact O-CG1 3.25Å; L1626-I1630 WeakPolarHBondContact O-CG1 3.37Å; L1626-I1630 PolarHBondContact O-N 3.32Å; W1627-I1630 PolarHBondContact O-N 3.38Å; E1628-I1630 PolarHBondContact O-N 3.3Å; I1630-L1634 HydrophobicContact CG2-CD1 3.87Å; I1630-L1634 HydrophobicContact CG2-CG 4.48Å; I1630-L1634 VanDerWaalsContact O-CB 3.3Å; I1630-L1634 WeakPolarHBondContact O-CB 3.27Å; I1630-L1634 VanDerWaalsContact O-CG 3.3Å; I1630-L1634 WeakPolarHBondContact O-CG 3.04Å; I1630-L1634 PolarHBondContact O-N 3.2Å
1631Q48.1Very low44.6Very low57 Ų5799 Ų9927%0.26648%0.479SS..Hα-helixtrans-62.6-46.5174.5-76.4-67.8-60.700111.5W1627 E1628 R1635W1627-Q1631 HydrophobicContact CD2-CG 4.22Å; W1627-Q1631 HydrophobicContact CH2-CG 4.43Å; W1627-Q1631 HydrophobicContact CZ2-CG 3.93Å; W1627-Q1631 WeakPolarHBondContact O-CB 3.36Å; W1627-Q1631 WeakPolarHBondContact O-CG 3.42Å; W1627-Q1631 PolarHBondContact O-N 3.35Å; E1628-Q1631 PolarHBondContact O-N 3.33Å; Q1631-R1635 WeakPolarHBondContact O-CB 3.3Å; Q1631-R1635 PolarHBondContact O-N 3.35Å
1632D53.6Low45.2Very low100 Ų10093.1 Ų93.154%0.53546%0.456SS..Hα-helixtrans-70.3-38.1179.8-90.2-9.4000112.7E1628 R1635 F1636E1628-D1632 WeakPolarHBondContact O-CB 3.46Å; E1628-D1632 PolarHBondContact O-N 3.08Å; D1632-R1635 PolarHBondContact O-N 2.71Å; D1632-F1636 WeakPolarHBondContact O-CB 3.39Å; D1632-F1636 PolarHBondContact O-N 3.36Å
1633E54.6Low45.6Very low111 Ų11195.2 Ų95.252%0.51946%0.463SS..Hα-helixtrans-67.3-41.9176.3-169.9163.4-14500111.4N1629 F1636 E1637N1629-E1633 VanDerWaalsContact O-CB 3.3Å; N1629-E1633 WeakPolarHBondContact O-CB 3.26Å; N1629-E1633 PolarHBondContact O-N 3.29Å; E1633-F1636 PolarHBondContact O-N 3.24Å; E1633-E1637 PolarHBondContact O-N 3.37Å
1634L44.5Very low45.8Very low56 Ų5694 Ų9429%0.29345%0.453SS..Hα-helixtrans-64.6-43.3172.5-75.3171.1000112.1L1607 I1630 F1636 E1637 L1638L1607-L1634 HydrophobicContact CD2-CD1 4.43Å; L1607-L1634 HydrophobicContact CD2-CD2 4.28Å; I1630-L1634 HydrophobicContact CG2-CD1 3.87Å; I1630-L1634 HydrophobicContact CG2-CG 4.48Å; I1630-L1634 VanDerWaalsContact O-CB 3.3Å; I1630-L1634 WeakPolarHBondContact O-CB 3.27Å; I1630-L1634 VanDerWaalsContact O-CG 3.3Å; I1630-L1634 WeakPolarHBondContact O-CG 3.04Å; I1630-L1634 PolarHBondContact O-N 3.2Å; L1634-F1636 VanDerWaalsContact C-N 3.29Å; L1634-F1636 PolarHBondContact O-N 3.03Å; L1634-E1637 PolarHBondContact O-N 2.87Å; L1634-L1638 WeakPolarHBondContact O-CB 3.4Å; L1634-L1638 PolarHBondContact O-N 3.48Å
1635R47.7Very low45.8Very low171 Ų17193.7 Ų93.765%0.64545%0.453SS*.Hα-helixtrans-65.9-33177.8-173.8-179.1-173.6-168.64.4111.9Q1631 D1632 S1639Q1631-R1635 WeakPolarHBondContact O-CB 3.3Å; Q1631-R1635 PolarHBondContact O-N 3.35Å; D1632-R1635 PolarHBondContact O-N 2.71Å; R1635-S1639 WeakPolarHBondContact O-CB 3.16Å; R1635-S1639 PolarHBondContact O-N 1.92Å; R1635-S1639 VanDerWaalsContact O-N 3.13Å; R1635-S1639 PolarHBondContact O-OG 3.44Å
1636F46.9Very low46Very low127 Ų12792.3 Ų92.356%0.55744%0.442SS*.Hα-helixtrans-70-43.6174-165.7-86.4000111.5D1632 E1633 L1634 L1638 S1639 Y1640D1632-F1636 WeakPolarHBondContact O-CB 3.39Å; D1632-F1636 PolarHBondContact O-N 3.36Å; E1633-F1636 PolarHBondContact O-N 3.24Å; L1634-F1636 VanDerWaalsContact C-N 3.29Å; L1634-F1636 PolarHBondContact O-N 3.03Å; F1636-L1638 VanDerWaalsContact C-N 3.33Å; F1636-L1638 PolarHBondContact O-N 2.97Å; F1636-S1639 PolarHBondContact O-N 3.31Å; F1636-Y1640 WeakPolarHBondContact O-CB 3.3Å
1637E42.6Very low46.1Very low109 Ų10992.4 Ų92.451%0.50944%0.439SS..Hα-helixtrans-64-31.4171.8-80.5-96.1131.400113.1E1633 L1634E1633-E1637 PolarHBondContact O-N 3.37Å; L1634-E1637 PolarHBondContact O-N 2.87Å
1638L38.8Very low46.4Very low61 Ų6195.4 Ų95.432%0.31946%0.458SS..Hα-helixtrans-81.5-16.7177.9-115.8157.3000114.3L1603 L1607 L1634 F1636L1603-L1638 HydrophobicContact CB-CD2 4.48Å; L1603-L1638 HydrophobicContact CD1-CD2 4.44Å; L1607-L1638 HydrophobicContact CD1-CD1 3.44Å; L1607-L1638 VanDerWaalsContact CD1-CD1 3.44Å; L1634-L1638 WeakPolarHBondContact O-CB 3.4Å; L1634-L1638 PolarHBondContact O-N 3.48Å; F1636-L1638 VanDerWaalsContact C-N 3.33Å; F1636-L1638 PolarHBondContact O-N 2.97Å
1639S40.9Very low45.8Very low82 Ų8295.6 Ų95.657%0.57346%0.46SS*.THydrogen-bonded Turntrans-9411.6179.9-570000113.4I1107 R1635 F1636I1107-S1639 WeakPolarHBondContact CD1-O 3.27Å; R1635-S1639 WeakPolarHBondContact O-CB 3.16Å; R1635-S1639 PolarHBondContact O-N 1.92Å; R1635-S1639 VanDerWaalsContact O-N 3.13Å; R1635-S1639 PolarHBondContact O-OG 3.44Å; F1636-S1639 PolarHBondContact O-N 3.31Å
1640Y31.3Very low45Very low103 Ų10394.5 Ų94.540%0.40445%0.449SS..  trans-130.50-149.9149.1-86000114.6W1105 R1106 F1636W1105-Y1640 HydrophobicContact CB-CD2 4.22Å; W1105-Y1640 HydrophobicContact CB-CE1 4.13Å; W1105-Y1640 HydrophobicContact CB-CE2 3.76Å; W1105-Y1640 WeakPolarHBondContact O-CE2 3.49Å; W1105-Y1640 PolarHBondContact O-OH 2.89Å; R1106-Y1640 HydrophobicContact CB-CE2 4.44Å; R1106-Y1640 HydrophobicContact CG-CE2 4.1Å; F1636-Y1640 WeakPolarHBondContact O-CB 3.3Å

Retrieved 1,640 of 1,640 residues in 324.4 ms (Link to these results)