A0A5K4EZW0_SCHMA Loading...

Collagen IV NC1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZW0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,777 aa.

>A0A5K4EZW0_SCHMA|A0A5K4EZW0
MFKFHVLSKVNTLQRLLYLVGLYLVVIAQSVRSQSDLDRCAIVCAPEKCQCVGPQGIQGQPGPIGVRGSEGPPGDVGLIGLRGPLGEKGEQGIPGVLGPRGEKGLPGQPGYPGNDGDPGHPGMRGMKGEKGDSGCDGESGDNGEQGEPGAPGIIGTPGEPGTKGPKGYTGGSRQGLMGEKGDPGEIGQPGKDGLPGLDGEDGLPGPRGPQGESGAVGLMGDIGPKGESGVYNYTNIIPGDRGEPGPRGQDGQPCEDMDREYTEEELISFTRGQAGDIGPPGPKGDSGEPGDEGDMGLQGEEGSIGEKGESGEPGLDGDPGEDGDVGPIGQAGNLGSDGPPGPEGAIGGKGDRGPHGRDGLQGDPGPAGIPGKATCPVEFFPKGEKGLPGHPGDKGTQGEPGLPGDQGEKGVPGDEGLKGVRGSQGKICEPGPQGPVGVKGWYGKNGAQGQPGVDGDPGQPGQRGLPGDDGFGHIGEIGEVGVEGLRGIKGESGEEGDPGEKGFGGDSNVGPVGPRGEPGDDGSDGEPGKHGEPGPPGPKGEPLTVCPLCKDGDAGLRGEIGDPGENGEKGGDGMPGDRGDTGRLGEDGLIGLPGTKGEKGRIGEDGFSGDPGDPGESAVVSRVVEDVISGDEGDEGHEGSIGDIGDRGDEGEPGPIGDEGLKGQQGTDGEQGPIGEVGDDGDDGETGENGIDVKGMVGELGERGDEGLVGEKGEKGIAGVMTNCTIDWRQLVAKNESELIGDRGEKGDDGEVGEKGSRGIDGRKGEIGQTAAPSERGETGLPGPDGEKGDPGPPGIEGPQGLQGDPGEVIDGIEGDVGEQGPEGPKGFKGEEGDVGDSGDSPERTKGEPGPAGEPGTEGDEGDPGIPGQKGEPGAEAGQQGETGSSGEKGDPGPKGLPGPKGEPSSDMESGDEGPKGEPGLMGSEGEKGGVGDVAECNEAGLLGDPGPDGAMGTIGNSGDDGEQGEDGDVGPEGEPGPDGERGEIGETGIEGIRGITGEKGEPGNIGDVGEKGSPGPEGETGDIGPQGPQGADGAQGSTGDPGPTGEFVEGERGDIGPDGSQGEQGEKGEPGAVGEVGETGPTAETLPGIKGEPGQPGEDGQLGEPGSDGNDGEPGPKGDEGLMGESGPKGSRGPRGKIGNVGAEGSRGAKGNVGSEGEIGPDGEKGDRGEAGDIGPPSYTTAGLKGREGLEGPQGEQGQAGDSGEQGESGIPGEEGDQGDEGLTGEAGEIGTPGLEGDIGPEGNEGPVGEQGSEGDVGMIGAYGPEGEKGEPGLRGDTGEAATNCSIGPKGKQGRLGPLGLPGPQGPPGDQGLPGLRGRDGPPGVGVIGAPGELGDTGHIGLPGEAGEPGDQGPEGPSGLAALTGEQGMKGERGIPGDIGDPGVGGVQGPPGYDGEKGTQGPQGSSGIDGVDGNMGPKGFSGDQGPSGIRGQIGDQGEMGEAGIEGPKGAQGVSIRGGVGEIGDPGENGALGEQGDPGPDGEVGDNGDIGEKGEKGQPGLLEGERGEVGDVGERGDTGEVGPPGPIGDVGPKGKDGEKGQPGQTNYSSILFARHYQTPFVDDLTCPTGTNKLFTGYSYVMGGGVDDLVSMDLGTPSSCLSKFSSLPMTQCERDTTCQSSMRHERSYWLATLVPRSEQPIPVDQTADQIARCVVCEAPAHVFAFHSQGETLQPCPNTWTELWTGVSLILHTSGAHGGGQQLSSPGSCMEHFRYSPVIECNNNVGMCHYWSDAKVYYLRALNPNITQFEKPVGFVMKAAEGPVLNNVSKCRVCMKIPA
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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
1M39.8Very low46.1Very low237 Ų237147.8 Ų147.8100%1.16773%0.726SS**  092.10-67.5174.6-82.600107.9
2F36.6Very low47.7Very low207 Ų207142.9 Ų142.991%0.90871%0.711SS**  trans-142.932-163.9-115.1-83000114.1
3K39.1Very low49.2Very low179 Ų179140.5 Ų140.578%0.77870%0.701SS**SBendtrans-132.8-4.4178.3-85.9-164.4170.6-1700116.4
4F44Very low50.6Low188 Ų188139.6 Ų139.683%0.82569%0.693SS**SBendtrans-95.5-13.7-176.9-88.8-85000115.4
5H45Very low52Low170 Ų170142.3 Ų142.379%0.78769%0.693SS**Hα-helixtrans-87.4-15.5-179.4-106.114000115.3
6V51.3Low53.5Low105 Ų105140.1 Ų140.164%0.63668%0.684SS**Hα-helixtrans-76.9-40.4178.7-176.90000111.3S8 V10V6-S8 PolarHBondContact O-N 2.8Å; V6-V10 PolarHBondContact O-N 3.46Å
7L43.6Very low54.9Low125 Ų125138.8 Ų138.865%0.65468%0.681SS**Hα-helixtrans-68.6-30.7-177.8-70.6169000113.3N11L7-N11 PolarHBondContact O-N 2.91Å
8S47.9Very low56.3Low71 Ų71140.8 Ų140.850%0.49768%0.681SS.*Hα-helixtrans-65.5-50.8177.4-1650000111.4V6 V10 N11 T12V6-S8 PolarHBondContact O-N 2.8Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.18Å; S8-N11 PolarHBondContact O-N 2.8Å; S8-N11 VanDerWaalsContact O-N 3.08Å; S8-T12 PolarHBondContact O-N 2.84Å; S8-T12 PolarHBondContact O-OG1 3.49Å
9K48.8Very low57.5Low168 Ų168139.3 Ų139.373%0.7368%0.676SS**Hα-helixtrans-63.3-33.8-178.7-70.2-160.3172.8-163.60113.5L13K9-L13 WeakPolarHBondContact O-CB 3.29Å; K9-L13 PolarHBondContact O-N 3.26Å
10V55.9Low58.7Low82 Ų82135.9 Ų135.950%0.49766%0.664SS.*Hα-helixtrans-65.1-41.9173.9175.50000111V6 S8 L13 Q14V6-V10 PolarHBondContact O-N 3.46Å; S8-V10 VanDerWaalsContact C-N 3.32Å; S8-V10 PolarHBondContact O-N 3.18Å; V10-L13 PolarHBondContact O-N 3.49Å; V10-Q14 WeakPolarHBondContact O-CB 3.4Å; V10-Q14 PolarHBondContact O-N 3.11Å
11N54.9Low59.7Low94 Ų94130.9 Ų130.950%0.50365%0.647SS.*Hα-helixtrans-69.8-35.6179.6-155.76.8000112.1L7 S8 R15L7-N11 PolarHBondContact O-N 2.91Å; S8-N11 PolarHBondContact O-N 2.8Å; S8-N11 VanDerWaalsContact O-N 3.08Å; N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.64Å
12T65.1Low61.5Low89 Ų89123.8 Ų123.855%0.54661%0.613SS.*Hα-helixtrans-63.1-46.5170.3-45.10000111.4S8 Q14 R15 L16S8-T12 PolarHBondContact O-N 2.84Å; S8-T12 PolarHBondContact O-OG1 3.49Å; T12-Q14 VanDerWaalsContact C-N 3.32Å; T12-Q14 PolarHBondContact O-N 2.65Å; T12-R15 PolarHBondContact O-N 3.2Å; T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 PolarHBondContact O-N 3.29Å
13L67.4Low63.3Low111 Ų111121.5 Ų121.558%0.58160%0.6SS**Hα-helixtrans-64-38.6179.2-151.181.4000111.8K9 V10 L16 L17K9-L13 WeakPolarHBondContact O-CB 3.29Å; K9-L13 PolarHBondContact O-N 3.26Å; V10-L13 PolarHBondContact O-N 3.49Å; L13-L16 PolarHBondContact O-N 3.18Å; L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.49Å
14Q69.1Low64.9Low128 Ų128118 Ų11860%0.59859%0.589SS**Hα-helixtrans-70.8-34.5178-168.9164.4-4.500112.2V10 T12 Y18V10-Q14 WeakPolarHBondContact O-CB 3.4Å; V10-Q14 PolarHBondContact O-N 3.11Å; T12-Q14 VanDerWaalsContact C-N 3.32Å; T12-Q14 PolarHBondContact O-N 2.65Å; Q14-Y18 WeakPolarHBondContact O-CB 3.17Å; Q14-Y18 PolarHBondContact O-N 3.24Å
15R72.2Confident66.3Low181 Ų181112.7 Ų112.768%0.68357%0.572SS**Hα-helixtrans-67-40.3168.4-77.9-176.4171.6-160-5.7112.5N11 T12 Y18 L19N11-R15 WeakPolarHBondContact O-CG 3.41Å; N11-R15 PolarHBondContact O-N 2.64Å; T12-R15 PolarHBondContact O-N 3.2Å; R15-Y18 PolarHBondContact O-N 3.38Å; R15-L19 WeakPolarHBondContact O-CG 3.13Å; R15-L19 PolarHBondContact O-N 3.2Å
16L74.8Confident67.4Low106 Ų106108.3 Ų108.356%0.55556%0.557SS**Hα-helixtrans-63.7-42.7176.5-150.780.5000111.1T12 L13 Y18 L19 V20T12-L16 WeakPolarHBondContact O-CB 3.47Å; T12-L16 PolarHBondContact O-N 3.29Å; L13-L16 PolarHBondContact O-N 3.18Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.41Å; L16-L19 PolarHBondContact O-N 2.65Å; L16-V20 WeakPolarHBondContact O-CB 3.13Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.2Å
17L77.9Confident68.1Low119 Ų119106.7 Ų106.762%0.62354%0.544SS*.Hα-helixtrans-66.2-30.9173.8-73.6167000112.9L13 G21L13-L17 WeakPolarHBondContact O-CB 3.39Å; L13-L17 WeakPolarHBondContact O-CG 3.43Å; L13-L17 PolarHBondContact O-N 3.49Å; L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.43Å
18Y80.7Confident68.6Low174 Ų174103.1 Ų103.168%0.68253%0.532SS*.Hα-helixtrans-74.2-35.6174.2-152-89.9000112.1Q14 R15 L16 G21 L22Q14-Y18 WeakPolarHBondContact O-CB 3.17Å; Q14-Y18 PolarHBondContact O-N 3.24Å; R15-Y18 PolarHBondContact O-N 3.38Å; L16-Y18 VanDerWaalsContact C-N 3.32Å; L16-Y18 PolarHBondContact O-N 3.41Å; Y18-G21 PolarHBondContact O-N 2.96Å; Y18-L22 HydrophobicContact CD1-CD1 3.89Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 4.04Å; Y18-L22 HydrophobicContact CE1-CG 4.46Å; Y18-L22 WeakPolarHBondContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CG 3.13Å; Y18-L22 PolarHBondContact O-N 3.2Å
19L78.9Confident68.9Low112 Ų112105.6 Ų105.659%0.58654%0.536SS*.Hα-helixtrans-71.4-42.5173.8-73.7168.2000112R15 L16 G21 L22 Y23R15-L19 WeakPolarHBondContact O-CG 3.13Å; R15-L19 PolarHBondContact O-N 3.2Å; L16-L19 PolarHBondContact O-N 2.65Å; L19-G21 VanDerWaalsContact C-N 3.3Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-Y23 WeakPolarHBondContact O-CB 3.11Å; L19-Y23 PolarHBondContact O-N 3.11Å
20V80.8Confident68.9Low72 Ų72100.8 Ų100.844%0.43652%0.524SS..Hα-helixtrans-65.3-35.7171.1171.70000110.7L16 Y23 L24L16-V20 WeakPolarHBondContact O-CB 3.13Å; L16-V20 WeakPolarHBondContact O-CG2 3.39Å; L16-V20 PolarHBondContact O-N 3.2Å; V20-Y23 PolarHBondContact O-N 3.02Å; V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.36Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.45Å
21G79.3Confident68.4Low30 Ų30101.9 Ų101.931%0.30953%0.53SS..Hα-helixtrans-62.1-46.3171.600000112.6L17 Y18 L19 L24 V25L17-G21 WeakPolarHBondContact O-CA 3.38Å; L17-G21 PolarHBondContact O-N 3.43Å; Y18-G21 PolarHBondContact O-N 2.96Å; L19-G21 VanDerWaalsContact C-N 3.3Å; G21-L24 PolarHBondContact O-N 3.32Å; G21-V25 WeakPolarHBondContact O-CB 3.37Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.47Å
22L77.6Confident67.6Low88 Ų88107.7 Ų107.746%0.46155%0.545SS..Hα-helixtrans-63.3-43.3173.3-83164.6000111.9Y18 L19 L24 V25 V26Y18-L22 HydrophobicContact CD1-CD1 3.89Å; Y18-L22 HydrophobicContact CD1-CG 4.4Å; Y18-L22 HydrophobicContact CE1-CD1 4.04Å; Y18-L22 HydrophobicContact CE1-CG 4.46Å; Y18-L22 WeakPolarHBondContact O-CB 3.29Å; Y18-L22 WeakPolarHBondContact O-CG 3.13Å; Y18-L22 PolarHBondContact O-N 3.2Å; L19-L22 PolarHBondContact O-N 3.2Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.22Å; L22-V25 CarbonylContact O-C 3.44Å; L22-V25 PolarHBondContact O-N 2.7Å; L22-V25 VanDerWaalsContact O-N 3.15Å; L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.95Å
23Y74.9Confident66.2Low160 Ų160108.2 Ų108.263%0.62755%0.553SS**Hα-helixtrans-63.6-39.2177.9-165.8-109.8000111.9L19 V20 V26 I27L19-Y23 WeakPolarHBondContact O-CB 3.11Å; L19-Y23 PolarHBondContact O-N 3.11Å; V20-Y23 PolarHBondContact O-N 3.02Å; Y23-V26 PolarHBondContact O-N 3.4Å; Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.52Å; Y23-I27 HydrophobicContact CG-CD1 4.47Å; Y23-I27 WeakPolarHBondContact O-CB 3.5Å; Y23-I27 VanDerWaalsContact O-CG1 3.31Å; Y23-I27 WeakPolarHBondContact O-CG1 3.32Å; Y23-I27 PolarHBondContact O-N 3.34Å
24L73Confident64.5Low106 Ų106111 Ų11156%0.55556%0.563SS**Hα-helixtrans-72.1-28.7172.8-71.8171.8000113.1V20 G21 L22 A28V20-L24 HydrophobicContact CG1-CD1 3.93Å; V20-L24 HydrophobicContact CG1-CG 4.36Å; V20-L24 WeakPolarHBondContact O-CB 3.46Å; V20-L24 VanDerWaalsContact O-CG 3.27Å; V20-L24 WeakPolarHBondContact O-CG 3.32Å; V20-L24 PolarHBondContact O-N 3.45Å; G21-L24 PolarHBondContact O-N 3.32Å; L22-L24 VanDerWaalsContact C-N 3.34Å; L22-L24 PolarHBondContact O-N 3.22Å; L24-A28 WeakPolarHBondContact O-CB 3.19Å; L24-A28 PolarHBondContact O-N 2.67Å
25V73.6Confident62.9Low76 Ų76109.1 Ų109.146%0.46156%0.564SS.*Hα-helixtrans-72.4-39.8171.1166.60000111.1G21 L22 A28 Q29G21-V25 WeakPolarHBondContact O-CB 3.37Å; G21-V25 VanDerWaalsContact O-CG2 3.29Å; G21-V25 WeakPolarHBondContact O-CG2 3.47Å; G21-V25 PolarHBondContact O-N 3.47Å; L22-V25 CarbonylContact O-C 3.44Å; L22-V25 PolarHBondContact O-N 2.7Å; L22-V25 VanDerWaalsContact O-N 3.15Å; V25-A28 CarbonylContact O-C 3.34Å; V25-A28 PolarHBondContact O-N 2.97Å; V25-Q29 WeakPolarHBondContact O-CB 3.24Å; V25-Q29 WeakPolarHBondContact O-CG 3.31Å; V25-Q29 PolarHBondContact O-N 3.4Å
26V68Low61Low77 Ų77108.4 Ų108.447%0.46757%0.573SS.*Hα-helixtrans-62-49.9172.3169.30000109.9L22 Y23 A28 Q29 S30L22-V26 WeakPolarHBondContact O-CG2 3.39Å; L22-V26 PolarHBondContact O-N 2.95Å; Y23-V26 PolarHBondContact O-N 3.4Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.88Å; V26-Q29 CarbonylContact O-C 3.55Å; V26-Q29 WeakPolarHBondContact O-CA 3.3Å; V26-Q29 PolarHBondContact O-N 3.01Å; V26-S30 PolarHBondContact O-N 3.4Å; V26-S30 PolarHBondContact O-OG 3.16Å
27I65.1Low58.9Low71 Ų71111 Ų11136%0.36459%0.587SS.*Hα-helixtrans-59.2-40.8174-69.6166.9000111.1Y23 Q29 S30 V31Y23-I27 HydrophobicContact CD1-CD1 3.69Å; Y23-I27 HydrophobicContact CE1-CD1 3.52Å; Y23-I27 HydrophobicContact CG-CD1 4.47Å; Y23-I27 WeakPolarHBondContact O-CB 3.5Å; Y23-I27 VanDerWaalsContact O-CG1 3.31Å; Y23-I27 WeakPolarHBondContact O-CG1 3.32Å; Y23-I27 PolarHBondContact O-N 3.34Å; I27-Q29 PolarHBondContact O-N 2.85Å; I27-S30 PolarHBondContact O-N 3.44Å; I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.46Å; I27-V31 VanDerWaalsContact O-CG2 3.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 2.98Å
28A55.5Low56.5Low50 Ų50111.6 Ų111.641%0.41359%0.591SS.*Hα-helixtrans-73.4-6.1175.800000114.6L24 V25 V26 R32L24-A28 WeakPolarHBondContact O-CB 3.19Å; L24-A28 PolarHBondContact O-N 2.67Å; V25-A28 CarbonylContact O-C 3.34Å; V25-A28 PolarHBondContact O-N 2.97Å; V26-A28 VanDerWaalsContact C-N 3.3Å; V26-A28 PolarHBondContact O-N 2.88Å; A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 WeakPolarHBondContact O-CD 3.4Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å
29Q52.8Low54.2Low124 Ų124115.3 Ų115.358%0.57960%0.603SS**Hα-helixtrans-99.6-38169.9-76.9177.1-3500111.1V25 V26 I27 V31 R32 S33V25-Q29 WeakPolarHBondContact O-CB 3.24Å; V25-Q29 WeakPolarHBondContact O-CG 3.31Å; V25-Q29 PolarHBondContact O-N 3.4Å; V26-Q29 CarbonylContact O-C 3.55Å; V26-Q29 WeakPolarHBondContact O-CA 3.3Å; V26-Q29 PolarHBondContact O-N 3.01Å; I27-Q29 PolarHBondContact O-N 2.85Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-V31 PolarHBondContact O-N 2.75Å; Q29-R32 CarbonylContact O-C 3.58Å; Q29-R32 WeakPolarHBondContact O-CA 3.2Å; Q29-R32 PolarHBondContact O-N 3.28Å; Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.08Å
30S48.7Very low51.9Low67 Ų67115.8 Ų115.847%0.46962%0.615SS.*Hα-helixtrans-59-44.7166.9-54.60000111.2V26 I27 R32 S33V26-S30 PolarHBondContact O-N 3.4Å; V26-S30 PolarHBondContact O-OG 3.16Å; I27-S30 PolarHBondContact O-N 3.44Å; S30-R32 PolarHBondContact O-N 2.9Å; S30-S33 PolarHBondContact O-N 2.65Å; S30-S33 VanDerWaalsContact O-N 3.17Å
31V46.2Very low49.7Very low105 Ų105116.5 Ų116.564%0.63663%0.628SS**THydrogen-bonded Turntrans-78.810.3173.9-176.40000112.1I27 Q29I27-V31 HydrophobicContact CG2-CG2 4.26Å; I27-V31 VanDerWaalsContact O-CB 3.29Å; I27-V31 WeakPolarHBondContact O-CB 3.46Å; I27-V31 VanDerWaalsContact O-CG2 3.26Å; I27-V31 WeakPolarHBondContact O-CG2 3.25Å; I27-V31 PolarHBondContact O-N 2.98Å; Q29-V31 VanDerWaalsContact C-N 3.34Å; Q29-V31 PolarHBondContact O-N 2.75Å
32R38.4Very low47.4Very low215 Ų215121.4 Ų121.481%0.81165%0.646SS**THydrogen-bonded Turntrans-129.922.1166.5-76.2-175.5160175.6-7.1112.8A28 Q29 S30A28-R32 WeakPolarHBondContact O-CB 3.49Å; A28-R32 WeakPolarHBondContact O-CD 3.4Å; A28-R32 WeakPolarHBondContact O-CG 3.46Å; Q29-R32 CarbonylContact O-C 3.58Å; Q29-R32 WeakPolarHBondContact O-CA 3.2Å; Q29-R32 PolarHBondContact O-N 3.28Å; S30-R32 PolarHBondContact O-N 2.9Å
33S36.4Very low45.2Very low101 Ų101121.7 Ų121.771%0.70665%0.651SS**SBendtrans-134.730.1173.7-168.40000110.8Q29 S30Q29-S33 WeakPolarHBondContact O-CB 3.34Å; Q29-S33 PolarHBondContact O-N 3.08Å; S30-S33 PolarHBondContact O-N 2.65Å; S30-S33 VanDerWaalsContact O-N 3.17Å
34Q31.4Very low43.2Very low169 Ų169117.2 Ų117.279%0.7964%0.643SS**SBendtrans-133.645176.8-70.9-169.8-52.700110.4
35S33.9Very low41.3Very low89 Ų89113.9 Ų113.962%0.62263%0.63SS**  trans-157.855.3-179.9660000112.2
36D33Very low40Very low166 Ų166114.6 Ų114.689%0.88864%0.637SS**SBendtrans-157.648162.8-93.2-35.6000111
37L31.6Very low38.4Very low159 Ų159119.2 Ų119.283%0.83265%0.653SS**SBendtrans-150.8168.4153.3-132.671000107.3
38D27.5Very low37.1Very low133 Ų133123.5 Ų123.571%0.71167%0.669SS**  trans58.663.6-179.2-65.6-20.3000117.4
39R31.7Very low36Very low251 Ų251127.8 Ų127.895%0.94769%0.694SS**  trans-132.778.7146.8-73.1-157.280.3-153.73.2113.6
40C30.1Very low35.2Very low123 Ų123129.6 Ų129.683%0.83170%0.703SS**  trans-146.344.8134.6-159.20000112.6I42C40-I42 PolarHBondContact O-N 3.23Å
41A34.1Very low34.6Very low86 Ų86131 Ų13171%0.71171%0.712SS**  trans-57.1127.7172.800000111V43A41-V43 PolarHBondContact O-N 2.84Å
42I31.8Very low34.2Very low134 Ų134130.7 Ų130.769%0.68771%0.71SS**  trans-68.9128.1175.3-63.6174.9000108.7C40 C44C40-I42 PolarHBondContact O-N 3.23Å; I42-C44 HydrophobicContact CG2-CB 4.45Å
43V31.4Very low34.8Very low94 Ų94121.7 Ų121.757%0.5768%0.684SS**  trans-126102.5172.2-117.10000108.1A41 M696A41-V43 PolarHBondContact O-N 2.84Å; V43-M696 HydrophobicContact CB-CE 4.02Å; V43-M696 HydrophobicContact CB-CG 4.32Å; V43-M696 HydrophobicContact CB-SD 3.5Å; V43-M696 VanDerWaalsContact CB-SD 3.5Å; V43-M696 HydrophobicContact CG1-CE 3.74Å; V43-M696 HydrophobicContact CG1-SD 3.5Å; V43-M696 WeakPolarHBondContact CG1-SD 3.47Å; V43-M696 WeakPolarHBondContact O-CG 3.38Å
44C33.4Very low34.8Very low66 Ų66120.6 Ų120.645%0.44667%0.674SS.*  trans-134.2140.7177.5-66.20000110.3I42 K694 M696I42-C44 HydrophobicContact CG2-CB 4.45Å; C44-K694 VanDerWaalsContact SG-CD 3.57Å; C44-K694 WeakPolarHBondContact SG-CG 3.46Å; C44-M696 VanDerWaalsContact C-CE 3.45Å; C44-M696 WeakPolarHBondContact O-CE 3.37Å
45A33.4Very low35.4Very low36 Ų36122.1 Ų122.130%0.29868%0.681SS.*  trans-161.4159.416900000108.3M696 V697A45-M696 HydrophobicContact CB-CE 3.78Å; A45-M696 VanDerWaalsContact O-CA 3.29Å; A45-M696 WeakPolarHBondContact O-CA 3.43Å; A45-M696 PolarHBondContact O-N 3.04Å; A45-V697 HydrophobicContact CB-CB 4.2Å; A45-V697 HydrophobicContact CB-CG2 3.55Å; A45-V697 PolarHBondContact O-N 3.46Å
46P45.3Very low35.7Very low91 Ų91121 Ų12159%0.59168%0.684SS**  trans-83171.4-164.938.9-39.8000111.8V697P46-V697 PolarHBondContact O-N 3.46Å
47E34.5Very low35.6Very low173 Ų173121.1 Ų121.181%0.80868%0.683SS**SBendcis-132.9107.520.5-69.5175.2-174.300114.6
48K37.9Very low35.9Very low161 Ų161122.2 Ų122.270%0.768%0.684SS**  trans173.4116.5143.7-103.4177.2-178.5-176.10109.7P851K48-P851 HydrophobicContact CD-CG 4.22Å
49C33.4Very low36.5Very low140 Ų140118.6 Ų118.695%0.94668%0.678SS**  trans-86.2115.3177.1-58.50000110.7
50Q35.2Very low36.8Very low162 Ų162115.6 Ų115.676%0.75768%0.675SS**  trans-157.4116170.2-163.6166.111.300109.8
51C35.8Very low37.6Very low97 Ų97115.7 Ų115.766%0.65567%0.673SS**  trans-91.7119.6-176.8-53.40000111I691C51-I691 CarbonylContact C-O 3.44Å
52V39Very low38.1Very low99 Ų99114.4 Ų114.460%0.667%0.669SS**  trans-148.3111.5170.5-173.90000111.3I691 D692 V693V52-I691 CarbonylContact C-O 3.57Å; V52-I691 WeakPolarHBondContact CA-O 3Å; V52-I691 PolarHBondContact N-O 3.33Å; V52-D692 CarbonylContact C-O 3.5Å; V52-D692 VanDerWaalsContact C-O 3.3Å; V52-D692 CarbonylContact O-C 3.39Å; V52-V693 WeakPolarHBondContact O-CG2 3.41Å
53G49.3Very low38.5Very low25 Ų25114.2 Ų114.226%0.25868%0.676SS.*  trans-51.8159-152.500000124.3Q55 I691 D692G53-Q55 VanDerWaalsContact C-N 3.33Å; G53-Q55 PolarHBondContact O-N 2.6Å; G53-I691 WeakPolarHBondContact CA-O 3.49Å; G53-I691 PolarHBondContact N-O 3.24Å; G53-D692 CarbonylContact C-O 3.13Å; G53-D692 WeakPolarHBondContact CA-O 3.47Å
54P36.5Very low39.3Very low79 Ų79117.9 Ų117.951%0.51369%0.691SS.*  trans-74.888.1172.732.2-28.4000108.6G56 D692P54-G56 PolarHBondContact O-N 2.69Å; P54-D692 WeakPolarHBondContact CD-O 3.44Å; P54-D692 HydrophobicContact CG-CB 4.49Å; P54-D692 VanDerWaalsContact N-O 3.12Å
55Q45.1Very low39.9Very low200 Ų200118 Ų11894%0.93570%0.703SS**  trans-74.598.2-170.4-169.6176.336.100112.4G53G53-Q55 VanDerWaalsContact C-N 3.33Å; G53-Q55 PolarHBondContact O-N 2.6Å
56G39.2Very low40.4Very low66 Ų66123.1 Ų123.168%0.6873%0.731SS**  trans171.2148.9170.700000111.4P54P54-G56 PolarHBondContact O-N 2.69Å
57I30.5Very low40.7Very low168 Ų168130.4 Ų130.486%0.86275%0.746SS**  cis-99149.513.455.7175.1000114.1G59I57-G59 PolarHBondContact O-N 3.19Å
58Q38.7Very low41.5Very low183 Ų183125.4 Ų125.486%0.85574%0.741SS**  trans-67.7114.4168.2-179.5179.1100109.4
59G40.1Very low41.6Very low57 Ų57121.9 Ų121.959%0.58874%0.737SS**  trans-56.8144.4173.900000111.9I57I57-G59 PolarHBondContact O-N 3.19Å
60Q39.2Very low42.6Very low188 Ų188123.3 Ų123.388%0.87973%0.729SS**  trans-57.2140.4174.1-64.5-173.913.200109.6G62Q60-G62 PolarHBondContact O-N 3.35Å
61P45.1Very low43.3Very low124 Ų124116.5 Ų116.581%0.80570%0.703SS**  trans-56.1111.6177.1-25.534.8000110.6
62G44.7Very low43.6Very low60 Ų60115.2 Ų115.262%0.61969%0.693SS**  trans-57142.3-177.700000111.2Q60 I64Q60-G62 PolarHBondContact O-N 3.35Å; G62-I64 PolarHBondContact O-N 2.66Å
63P41.8Very low44.5Very low129 Ų129116.3 Ų116.384%0.83870%0.703SS**  trans-57.3136.3176.925.2-33.7000109.5G65P63-G65 PolarHBondContact O-N 2.76Å
64I46.9Very low44.4Very low171 Ų171118.3 Ų118.388%0.87772%0.723SS**  trans-56.6114.5-178.4-62.6174.3000108.3G62 V66G62-I64 PolarHBondContact O-N 2.66Å; I64-V66 PolarHBondContact O-N 3.31Å
65G46.9Very low44.5Very low68 Ų68122.8 Ų122.870%0.70174%0.743SS**PPolyproline II helixtrans-55.9126.6-173.800000112P63 R67P63-G65 PolarHBondContact O-N 2.76Å; G65-R67 PolarHBondContact O-N 2.87Å
66V44.5Very low44.9Very low145 Ų145119.7 Ų119.788%0.87974%0.738SS**PPolyproline II helixtrans-60.7134.7167.6-860000109.3I64 G68I64-V66 PolarHBondContact O-N 3.31Å; V66-G68 PolarHBondContact O-N 2.8Å
67R50.5Low45Very low244 Ų244119.9 Ų119.992%0.92174%0.74SS**PPolyproline II helixtrans-62123.3178.8179.5178.7179.4168.2-0.2109.4G65G65-R67 PolarHBondContact O-N 2.87Å
68G50.5Low45.6Very low68 Ų68120.3 Ų120.370%0.70174%0.743SS**PPolyproline II helixtrans-57.9152.5177.500000113.3V66V66-G68 PolarHBondContact O-N 2.8Å
69S41Very low45.9Very low87 Ų87119.3 Ų119.361%0.60874%0.741SS**PPolyproline II helixtrans-85.1138.6177.349.60000112.1
70E53.4Low46.2Very low169 Ų169119.7 Ų119.779%0.7975%0.745SS**  trans-65.8176.9168.1-165.1167.7-145.700111.9S924 E925E70-S924 CarbonylContact O-C 3.53Å; E70-S924 WeakPolarHBondContact O-CA 3.34Å; E70-S924 WeakPolarHBondContact O-CB 3.38Å; E70-E925 WeakPolarHBondContact CA-OE1 3.32Å; E70-E925 PolarHBondContact O-N 2.86Å; E70-E925 VanDerWaalsContact O-N 3.08Å
71G50.3Low45.9Very low20 Ų20118.6 Ų118.621%0.20674%0.744CS.*  trans-117.7167.5-154.800000122.1P73 S924 E925G71-P73 WeakPolarHBondContact O-CD 3.42Å; G71-S924 VanDerWaalsContact C-OG 3.28Å; G71-S924 PolarHBondContact O-OG 2.81Å; G71-E925 WeakPolarHBondContact CA-OE1 3.06Å; G71-E925 WeakPolarHBondContact CA-OE2 3.24Å; G71-E925 PolarHBondContact N-OE1 3.23Å
72P43.5Very low45.6Very low69 Ų69124.7 Ų124.745%0.44875%0.751SS.*PPolyproline II helixtrans-83.3120.8173.834.6-22.8000107.7G74 S924 E925P72-G74 PolarHBondContact O-N 2.85Å; P72-S924 WeakPolarHBondContact CD-O 3.42Å; P72-S924 VanDerWaalsContact CG-O 3.29Å; P72-S924 WeakPolarHBondContact CG-O 3.46Å; P72-E925 VanDerWaalsContact CD-CB 3.47Å
73P56.2Low45.3Very low123 Ų123125 Ų12580%0.79976%0.755SS**PPolyproline II helixtrans-59.1134.3171.6-21.834.2000109.9G71G71-P73 WeakPolarHBondContact O-CD 3.42Å
74G47.6Very low45.6Very low67 Ų67125.1 Ų125.169%0.69176%0.755SS**PPolyproline II helixtrans-61.2151.3-179.400000113.4P72P72-G74 PolarHBondContact O-N 2.85Å
75D38.7Very low45.2Very low172 Ų172125 Ų12592%0.9276%0.756SS**PPolyproline II helixtrans-64143.3-173.5-74.4-56.3000113.9
76V53.4Low44.7Very low136 Ų136124.6 Ų124.682%0.82475%0.752SS**PPolyproline II helixtrans-102.5118.2-177.5179.60000110.2
77G41.3Very low44.5Very low70 Ų70126.4 Ų126.472%0.72275%0.751SS**PPolyproline II helixtrans-65.2149.7-178.700000114.9
78L42.9Very low43.9Very low177 Ų177121.6 Ų121.693%0.92774%0.737SS**  trans-99.8110.2-178.7-81169.9000112.8
79I45.5Very low43.1Very low162 Ų162121.5 Ų121.583%0.83174%0.735SS**  trans-78.9119.4165.5-63.8173.6000109
80G46.7Very low43Very low65 Ų65124.9 Ų124.967%0.6774%0.741SS**  trans-92.5152.2178.700000114.5
81L32Very low42.9Very low164 Ų164123.4 Ų123.486%0.85973%0.734SS**  trans-144.4114.1171.3-76178.3000113.3
82R40Very low42.3Very low252 Ų252125.2 Ų125.295%0.95175%0.753SS**  31.9131.4125.4-162.9177.8-168.3166.94.9118.4
83G37.7Very low42.3Very low67 Ų67129.6 Ų129.669%0.69177%0.771SS**  cis-176.9-167.612.800000113.5
84P48Very low42.3Very low131 Ų131129.2 Ų129.285%0.85177%0.769SS**  trans-119.1-170.6-144.143.9-37.6000118
85L38.5Very low42Very low169 Ų169129.4 Ų129.489%0.88577%0.77SS**  trans95.2130.6158.2-154.974.5000117.6
86G37.4Very low42.2Very low60 Ų60128.2 Ų128.262%0.61977%0.769SS**  cis170.4160.2-10.400000114.7
87E40Very low41.8Very low182 Ų182129.9 Ų129.985%0.8577%0.772SS**  trans54.7151151.8-76-172.5-150.200122.4
88K36.6Very low42Very low144 Ų144128.8 Ų128.863%0.62676%0.761SS**  cis-158.9156.6-4.7161174.6-179.2177.20110.1E90K88-E90 WeakPolarHBondContact CE-OE1 3.49Å; K88-E90 WeakPolarHBondContact CE-OE2 3.44Å; K88-E90 IonicContact NZ-OE1 2.8Å; K88-E90 PolarHBondContact NZ-OE1 3.46Å; K88-E90 IonicContact NZ-OE2 2.77Å; K88-E90 PolarHBondContact NZ-OE2 3.47Å
89G34.9Very low41.9Very low65 Ų65126.7 Ų126.767%0.6776%0.758SS**  trans-163.5139.5164.400000112.1
90E38.6Very low41.8Very low159 Ų159129.9 Ų129.974%0.74376%0.76SS**  trans-107170.4-164-89.9164.5148.800116.9K88K88-E90 WeakPolarHBondContact CE-OE1 3.49Å; K88-E90 WeakPolarHBondContact CE-OE2 3.44Å; K88-E90 IonicContact NZ-OE1 2.8Å; K88-E90 PolarHBondContact NZ-OE1 3.46Å; K88-E90 IonicContact NZ-OE2 2.77Å; K88-E90 PolarHBondContact NZ-OE2 3.47Å
91Q50.6Low42Very low137 Ų137129.6 Ų129.664%0.6476%0.757SS**  trans-82.9163.6-158.5-164.8-161.350.100116.1
92G37.6Very low42.1Very low58 Ų58131.1 Ų131.160%0.59876%0.76SS**  trans172.1151.4142.300000114.7
93I44.1Very low42.4Very low161 Ų161127.9 Ų127.983%0.82675%0.753SS**  cis-148141.3-18.8-54.4180000106.6
94P56.7Low43Very low116 Ų116127.4 Ų127.475%0.75375%0.748SS**  trans-82.7166.1-177.2-10.128000115.5
95G39.9Very low42.7Very low70 Ų70129.1 Ų129.172%0.72275%0.749SS**  trans-176.6150.1163.900000111.6
96V43.2Very low43.8Very low147 Ų147126.5 Ų126.589%0.89174%0.742SS**  cis-138.5147.8-2.8179.40000108.8G98V96-G98 PolarHBondContact O-N 3.2Å
97L44.8Very low44.5Very low171 Ų171126.8 Ų126.890%0.89575%0.745SS**PPolyproline II helixtrans-63.4127.1-174.9-173.564.4000112.9
98G46.7Very low44.9Very low48 Ų48126.7 Ų126.750%0.49574%0.744SS.*PPolyproline II helixtrans-73.2170.1168.900000113V96 R100V96-G98 PolarHBondContact O-N 3.2Å; G98-R100 PolarHBondContact O-N 2.98Å
99P39.9Very low45.9Very low133 Ų133125.8 Ų125.886%0.86475%0.753SS**PPolyproline II helixtrans-60.4139.4-171.924.9-34.1000112.6G101P99-G101 PolarHBondContact O-N 2.93Å; P99-G101 VanDerWaalsContact O-N 3.11Å
100R43.8Very low46.6Very low228 Ų228125.9 Ų125.986%0.8675%0.754SS**  trans-58.2111.8175.5179-178.4-174.5168.84.7109.6G98G98-R100 PolarHBondContact O-N 2.98Å
101G50.3Low47Very low59 Ų59128.4 Ų128.461%0.60876%0.758SS**  trans-59.2160.1170.600000111.9P99P99-G101 PolarHBondContact O-N 2.93Å; P99-G101 VanDerWaalsContact O-N 3.11Å
102E35.7Very low47.5Very low197 Ų197127.6 Ų127.692%0.92177%0.765SS**  trans-56141.3178.6-63.9-177.415100110.5G104E102-G104 PolarHBondContact O-N 2.88Å
103K45.2Very low48.1Very low183 Ų183128 Ų12880%0.79677%0.768SS**  trans-71.3103.4-179.6-168.7-170.5-179.6-164.40106.8
104G50.8Low48.3Very low57 Ų57127.6 Ų127.659%0.58877%0.768SS**  trans-51.5156.7176.300000111.7E102E102-G104 PolarHBondContact O-N 2.88Å
105L42.3Very low48Very low167 Ų167129.8 Ų129.887%0.87477%0.773SS**  trans-42.9135.9172.5-67.7170.3000109.2G107L105-G107 PolarHBondContact O-N 2.81Å; L105-G107 VanDerWaalsContact O-N 3.11Å
106P60.1Low48.6Very low115 Ų115129.6 Ų129.675%0.74777%0.771SS**  trans-49.6126.4163.8-20.832.2000107.2
107G52.4Low48.8Very low65 Ų65129.9 Ų129.967%0.6777%0.768SS**  trans-53.4149167.500000108.3L105L105-G107 PolarHBondContact O-N 2.81Å; L105-G107 VanDerWaalsContact O-N 3.11Å
108Q48Very low49.6Very low180 Ų180127.8 Ų127.884%0.84177%0.765SS**  trans-44.9134.3164.1-72.5175-22.700107.6G110Q108-G110 PolarHBondContact O-N 2.04Å
109P58.5Low49.8Very low126 Ų126128.8 Ų128.882%0.81878%0.775SS**  trans-48120.2171-25.734.4000107.3Y111P109-Y111 PolarHBondContact O-N 3.32Å
110G49.1Very low49.9Very low66 Ų66129.9 Ų129.968%0.6877%0.769SS**  trans-53.713717400000107.1Q108Q108-G110 PolarHBondContact O-N 2.04Å
111Y47.5Very low50.7Low213 Ų213125.1 Ų125.184%0.83577%0.767SS**  trans-41.8129.9173.7-66.6-85.8000108.4P109 G113P109-Y111 PolarHBondContact O-N 3.32Å; Y111-G113 PolarHBondContact O-N 2.89Å
112P60.3Low50.7Low119 Ų119125.7 Ų125.777%0.77377%0.773SS**  trans-47.2119.9170.2-25.834.4000107.1N114P112-N114 PolarHBondContact O-N 2.88Å; P112-N114 VanDerWaalsContact O-N 3.12Å
113G51.9Low51.2Low66 Ų66123 Ų12368%0.6876%0.762SS**  trans-59123.7178.300000106.7Y111 D115Y111-G113 PolarHBondContact O-N 2.89Å; G113-D115 PolarHBondContact O-N 2.97Å; G113-D115 VanDerWaalsContact O-N 3.15Å
114N47.2Very low51.6Low153 Ų153126 Ų12682%0.81877%0.769SS**  trans-43.4125.2-177.7-60.914.3000109P112 G116P112-N114 PolarHBondContact O-N 2.88Å; P112-N114 VanDerWaalsContact O-N 3.12Å; N114-G116 PolarHBondContact O-N 3.31Å
115D50.9Low51.5Low162 Ų162126.3 Ų126.387%0.86677%0.772SS**  trans-55.6115.7175.9-78.7-50.8000107.6G113 D117G113-D115 PolarHBondContact O-N 2.97Å; G113-D115 VanDerWaalsContact O-N 3.15Å; D115-D117 PolarHBondContact O-N 3.44Å
116G51.9Low51.4Low66 Ų66127.4 Ų127.468%0.6877%0.774SS**  trans-63.4133-173.200000110.4N114N114-G116 PolarHBondContact O-N 3.31Å
117D47Very low50.6Low153 Ų153132 Ų13282%0.81878%0.783SS**  trans-46124.1-175.8-59.3-70.2000111.1D115 G119D115-D117 PolarHBondContact O-N 3.44Å; D117-G119 PolarHBondContact O-N 2.88Å
118P62.5Low50.4Low127 Ų127132 Ų13283%0.82578%0.782SS**  trans-57.4102.7-178.8-28.436.3000111.4H120P118-H120 PolarHBondContact O-N 2.88Å
119G50.2Low50Low70 Ų70132.7 Ų132.772%0.72279%0.786SS**  trans-52.1129.2-166.700000113.4D117D117-G119 PolarHBondContact O-N 2.88Å
120H42Very low49.2Very low156 Ų156135.8 Ų135.872%0.72279%0.786SS**  trans-47.6131.4-171.9-56.2-73.1000112.3P118 G122P118-H120 PolarHBondContact O-N 2.88Å; H120-G122 PolarHBondContact O-N 3.32Å
121P60.9Low49.2Very low128 Ų128135.4 Ų135.483%0.83178%0.782SS**  trans-58.1105.3174.4-25.635.2000111.1M123P121-M123 PolarHBondContact O-N 2.99Å
122G49.8Very low48.6Very low71 Ų71133.6 Ų133.673%0.73279%0.787SS**  trans-53.8136.1-169.100000113.6H120 R124H120-G122 PolarHBondContact O-N 3.32Å; G122-R124 PolarHBondContact O-N 3.32Å
123M46.2Very low48.2Very low140 Ų140132.6 Ų132.669%0.6978%0.783SS**  trans-48.5124-172.4-63.7-164.791.100112.1P121 G125P121-M123 PolarHBondContact O-N 2.99Å; M123-G125 PolarHBondContact O-N 3Å
124R53.4Low47.8Very low247 Ų247133.1 Ų133.193%0.93279%0.789SS**  trans-62.6101.9169.2174.5179.8-84.8-178.5-4108.1G122G122-R124 PolarHBondContact O-N 3.32Å
125G48.9Very low47.4Very low63 Ų63131.5 Ų131.565%0.64979%0.788SS**  trans-49.9141.7-171.600000114M123 K127M123-G125 PolarHBondContact O-N 3Å; G125-K127 PolarHBondContact O-N 2.9Å
126M40.9Very low46.9Very low189 Ų189131.7 Ų131.793%0.93179%0.789SS**  trans-50124.2-176.4-60.2-178.382.100111.2G128M126-G128 PolarHBondContact O-N 2.83Å
127K43.5Very low46.3Very low212 Ų212132.2 Ų132.292%0.92279%0.794SS**  trans-59.5107.8171.8179-176.7177.1-175.30108.1G125G125-K127 PolarHBondContact O-N 2.9Å
128G48.8Very low45.8Very low64 Ų64134.4 Ų134.466%0.6680%0.799SS**  trans-54146.7-171.200000113.5M126 K130M126-G128 PolarHBondContact O-N 2.83Å; G128-K130 PolarHBondContact O-N 2.83Å
129E38.2Very low45.1Very low196 Ų196133 Ų13392%0.91679%0.793SS**  trans-51.6127.8-179.7-64179.7140.100110.9G131E129-G131 PolarHBondContact O-N 2.97Å
130K43.1Very low44.7Very low190 Ų190131.3 Ų131.383%0.82678%0.775SS**  trans-71.596.8176.8-179.8-167.5170.9-167.50108.2G128G128-K130 PolarHBondContact O-N 2.83Å
131G48.7Very low44.5Very low58 Ų58128.2 Ų128.260%0.59876%0.764SS**  trans-53.1145.6-174.400000114.8E129 S133E129-G131 PolarHBondContact O-N 2.97Å; G131-S133 PolarHBondContact O-N 3.02Å
132D35.4Very low43.7Very low175 Ų175129.7 Ų129.794%0.93676%0.764SS**  trans-52.5120.9-172-62.3-55000113.6
133S51.2Low43.4Very low99 Ų99129.7 Ų129.769%0.69277%0.765SS**  trans-131.366.2-174.275.20000114.1G131G131-S133 PolarHBondContact O-N 3.02Å
134G43.3Very low43Very low77 Ų77132.6 Ų132.679%0.79478%0.777SS**  trans87.7132.7157.200000116.8
135C38.5Very low42.6Very low119 Ų119129.9 Ų129.980%0.80477%0.774SS**  trans-84.1128.2177.9-46.80000112.1
136D40.7Very low42.7Very low166 Ų166129.5 Ų129.589%0.88877%0.771SS**  trans66122.1142.5-45.1-27.8000122.1
137G38.3Very low42.9Very low76 Ų76129.3 Ų129.378%0.78477%0.768SS**  trans-158.3127.4155.200000107.8
138E38.5Very low43.6Very low199 Ų199125.2 Ų125.293%0.9376%0.762SS**  trans-80.1164.8-153.1-63.2167.313000116.7
139S46.6Very low43.8Very low99 Ų99125.5 Ų125.569%0.69277%0.765SS**  trans-83.1176.1-158.2-43.70000118.1
140G41.9Very low44.3Very low33 Ų33120.5 Ų120.534%0.3476%0.758SS.*  trans-166105.4164.800000111.9
141D38.7Very low45.1Very low92 Ų92117.7 Ų117.749%0.49276%0.759SS.*  trans-89152.7-160.9-42-31.3000114.9P342D141-P342 WeakPolarHBondContact OD2-CG 3.04Å
142N43.2Very low45.4Very low158 Ų158118 Ų11885%0.84576%0.762SS**  trans-174136.3133.7-106.2-50.7000112.5
143G43.4Very low46Very low72 Ų72117.9 Ų117.974%0.74276%0.759SS**  trans76.7100.4156.600000116.8Q145G143-Q145 PolarHBondContact O-N 3.14Å
144E37.7Very low46.1Very low200 Ų200120.7 Ų120.794%0.93577%0.765SS**  trans-68.394159.7-66178.5134.800109.5G146E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.32Å; E144-G146 VanDerWaalsContact O-N 3.13Å
145Q45.1Very low46.5Very low190 Ų190119.8 Ų119.889%0.88876%0.755SS**  trans-72.597.6153.5-179174.7-16.200106.3G143G143-Q145 PolarHBondContact O-N 3.14Å
146G51.9Low47.2Very low55 Ų55120.3 Ų120.357%0.56776%0.755SS**PPolyproline II helixtrans-52.6142.1-17900000111.9E144E144-G146 VanDerWaalsContact C-N 3.31Å; E144-G146 PolarHBondContact O-N 3.32Å; E144-G146 VanDerWaalsContact O-N 3.13Å
147E44.3Very low48.3Very low186 Ų186118.3 Ų118.387%0.86975%0.751SS**PPolyproline II helixtrans-56.4134.9167.2-62.4-164.8138.400108.1G149E147-G149 PolarHBondContact O-N 3.11Å; E147-G149 VanDerWaalsContact O-N 3.14Å
148P57.4Low48.8Very low125 Ų125117.9 Ų117.981%0.81275%0.747SS**PPolyproline II helixtrans-53.3125.7177.9-26.534.8000109.7A150P148-A150 PolarHBondContact O-N 3.07Å
149G53.8Low49.2Very low70 Ų70117.4 Ų117.472%0.72275%0.745SS**PPolyproline II helixtrans-50.8139.7176.300000109.9E147E147-G149 PolarHBondContact O-N 3.11Å; E147-G149 VanDerWaalsContact O-N 3.14Å
150A48Very low50.1Low92 Ų92118.6 Ų118.676%0.7675%0.75SS**PPolyproline II helixtrans-49.3134.817800000109.1P148 G152P148-A150 PolarHBondContact O-N 3.07Å; A150-G152 PolarHBondContact O-N 3.02Å
151P61.3Low50.6Low130 Ų130120.5 Ų120.584%0.84477%0.769SS**PPolyproline II helixtrans-50.5119.3179.5-2835.1000109.6I153P151-I153 PolarHBondContact O-N 2.94Å
152G55Low51.4Low64 Ų64121.4 Ų121.466%0.6678%0.779SS**PPolyproline II helixtrans-53.8140.3176.100000109A150 I154A150-G152 PolarHBondContact O-N 3.02Å; G152-I154 PolarHBondContact O-N 2.8Å; G152-I154 VanDerWaalsContact O-N 3.12Å
153I48.1Very low52.1Low173 Ų173121.8 Ų121.889%0.88777%0.772SS**PPolyproline II helixtrans-47.8123177.746.1173.1000109.4P151 G155P151-I153 PolarHBondContact O-N 2.94Å; I153-G155 PolarHBondContact O-N 3.16Å
154I52.5Low52.8Low159 Ų159120.5 Ų120.582%0.81576%0.759SS**  trans-65.8106.4171.9-67.3174.3000105.3G152G152-I154 PolarHBondContact O-N 2.8Å; G152-I154 VanDerWaalsContact O-N 3.12Å
155G51.6Low53.6Low57 Ų57113.7 Ų113.759%0.58873%0.732SS**  trans-53147.5168.600000109.3I153I153-G155 PolarHBondContact O-N 3.16Å
156T52.6Low54Low131 Ų131114.3 Ų114.380%0.80473%0.732SS**  trans-43.7129.4179.9440000110.5G158T156-G158 PolarHBondContact O-N 2.99Å; T156-G158 VanDerWaalsContact O-N 3.08Å
157P64.1Low53.6Low123 Ų123114.6 Ų114.680%0.79974%0.735SS**PPolyproline II helixtrans-50.6122.2178.6-27.434.7000110.1
158G49.4Very low53.2Low67 Ų67114.2 Ų114.269%0.69173%0.727SS**PPolyproline II helixtrans-56.6148172.600000109.9T156T156-G158 PolarHBondContact O-N 2.99Å; T156-G158 VanDerWaalsContact O-N 3.08Å
159E45.7Very low52.5Low190 Ų190114.6 Ų114.689%0.88873%0.727SS**PPolyproline II helixtrans-55.3133.6-175.3-62.8-161.9130.200111G161E159-G161 PolarHBondContact O-N 2.99Å
160P66.6Low51.9Low124 Ų124114.7 Ų114.781%0.80573%0.728SS**  trans-61.5112-175.8-25.735.1000112.3T162P160-T162 PolarHBondContact O-N 2.87Å
161G52.2Low51.3Low72 Ų72114.3 Ų114.374%0.74273%0.733SS**  trans-50.4135.1179.200000112.8E159 K163E159-G161 PolarHBondContact O-N 2.99Å; G161-K163 PolarHBondContact O-N 3.06Å
162T56.1Low50.1Low112 Ų112113.5 Ų113.569%0.68773%0.73SS**  trans-68121.7-168.3520000111.6P160 G164P160-T162 PolarHBondContact O-N 2.87Å; T162-G164 PolarHBondContact O-N 2.97Å
163K57.5Low49.4Very low165 Ų165121.7 Ų121.772%0.71774%0.742SS**  trans-66.4106.9-166.5-160175.7-158.174.80112.7G161 E321G161-K163 PolarHBondContact O-N 3.06Å; K163-E321 IonicContact NZ-OE2 2.59Å; K163-E321 PolarHBondContact NZ-OE2 3.45Å; K163-E321 VanDerWaalsContact NZ-OE2 3.12Å
164G57.1Low48.7Very low45 Ų45123.2 Ų123.246%0.46475%0.745SS.*  trans-39.6124178.100000114.3T162 K166T162-G164 PolarHBondContact O-N 2.97Å; G164-K166 PolarHBondContact O-N 2.99Å
165P54.8Low48.2Very low57 Ų57118.6 Ų118.637%0.3774%0.737SS.*PPolyproline II helixtrans-69.5121.9-168.3-20.231.7000112.9R601 I602P165-R601 HydrophobicContact CB-CG 4.08Å; P165-R601 HydrophobicContact CG-CG 4.04Å; P165-R601 PolarHBondContact O-NE 2.84Å; P165-R601 PolarHBondContact O-NH2 3.16Å; P165-I602 HydrophobicContact CG-CD1 4.16Å; P165-I602 HydrophobicContact CG-CG1 4.09Å
166K53.5Low47.5Very low204 Ų204124.6 Ų124.689%0.88775%0.754SS**PPolyproline II helixtrans-51.2128.8-176.5-164.9169.6-170.1164.70113.1G164G164-K166 PolarHBondContact O-N 2.99Å
167G44.3Very low46.8Very low61 Ų61127.5 Ų127.563%0.62976%0.761SS**PPolyproline II helixtrans-68145.1-17800000114.2T169G167-T169 PolarHBondContact O-N 3.46Å
168Y36.4Very low45.5Very low178 Ų178124.9 Ų124.970%0.69876%0.756SS**PPolyproline II helixtrans-67.1130.1177.7-81.6-86.8000112.2G170 E598 K599Y168-G170 PolarHBondContact O-N 3.31Å; Y168-E598 PolarHBondContact OH-O 2.8Å; Y168-K599 PolarHBondContact OH-N 3.49Å; Y168-K599 PolarHBondContact OH-O 3.45Å
169T42.4Very low44.9Very low133 Ų133129.9 Ų129.982%0.81676%0.762SS**PPolyproline II helixtrans-72.3123.1-178.650.80000112.4G167 G171G167-T169 PolarHBondContact O-N 3.46Å; T169-G171 PolarHBondContact O-N 2.99Å
170G40.2Very low44.4Very low71 Ų71130.3 Ų130.373%0.73276%0.761SS**  trans-63.8112.1174.300000112.9Y168 S172Y168-G170 PolarHBondContact O-N 3.31Å; G170-S172 PolarHBondContact O-N 3.31Å
171G37Very low43.1Very low85 Ų85127 Ų12788%0.87675%0.75SS**  trans-6880.9-18000000114.2T169 R173T169-G171 PolarHBondContact O-N 2.99Å; G171-R173 PolarHBondContact O-N 3.36Å
172S34.8Very low42.9Very low112 Ų112131.4 Ų131.478%0.78376%0.756SS**  trans-79.6105.7174.6-79.20000112.7G170G170-S172 PolarHBondContact O-N 3.31Å
173R40.1Very low42.5Very low237 Ų237132.4 Ų132.489%0.89476%0.764SS**  trans-178.1119.1130.1-102.1158.7-176.6177.73113.7G171 G175G171-R173 PolarHBondContact O-N 3.36Å; R173-G175 PolarHBondContact O-N 3.35Å
174Q34.5Very low41.6Very low204 Ų204128.1 Ų128.195%0.95377%0.767SS**  trans-80.4106.1147.5-164.6172.73600107.6
175G40.8Very low41Very low63 Ų63135.1 Ų135.165%0.64979%0.787SS**PPolyproline II helixtrans-79156.9179.300000113.3R173R173-G175 PolarHBondContact O-N 3.35Å
176L37.5Very low40.4Very low183 Ų183140.8 Ų140.896%0.95881%0.813SS**PPolyproline II helixtrans-78.8119.1172.8-67.7168.2000110.9
177M38.2Very low39.8Very low191 Ų191134.5 Ų134.594%0.94181%0.806SS**PPolyproline II helixtrans-63.5145.6165.8176.3-169.1-6600110.7
178G37Very low40Very low68 Ų68140.8 Ų140.870%0.70182%0.819SS**  cis-171.9-178.6-2.800000108
179E35.2Very low40.5Very low173 Ų173138.7 Ų138.781%0.80883%0.827SS**  cis-149.6172.85.4-49.8169.427.300110.2
180K35.8Very low40.5Very low199 Ų199135.9 Ų135.987%0.86583%0.825SS**  trans65.8135.5137.8-161.2170.8-166.2159.50120.4
181G39.8Very low40.4Very low55 Ų55142.1 Ų142.157%0.56783%0.831SS**  cis-178.5-179.3-0.200000112.6
182D47.1Very low41Very low163 Ų163144.7 Ų144.787%0.87283%0.825SS**  trans-97.2151.6-142.1-34.7-84.1000116.7
183P48.1Very low41.6Very low134 Ų134141.6 Ų141.687%0.8781%0.811SS**  -144.5152.2119.937.5-24.1000113.5
184G39.3Very low41.9Very low75 Ų75138.3 Ų138.377%0.77381%0.81SS**  cis178.9158-3.600000109.9
185E43.8Very low43.1Very low191 Ų191134.4 Ų134.489%0.89380%0.803SS**  trans-80.2155.4-167.4-59.4-179.913300116.4
186I43.4Very low43.5Very low177 Ų177134.7 Ų134.791%0.90881%0.806SS**  trans154.7131.6141.1-82.8157.9000108.7
187G39.2Very low44.1Very low71 Ų71134.5 Ų134.573%0.73281%0.805SS**  cis-173.4173.8-2.700000112.9
188Q49.2Very low44.8Very low194 Ų194133 Ų13391%0.90780%0.801SS**  trans-73.8151.7177.9-58.6171.7-900111.1
189P46.7Very low45.4Very low134 Ų134133.2 Ų133.287%0.8780%0.803SS**  -139.6-179.567.635.2-14.6000114
190G42.3Very low45.9Very low74 Ų74134.3 Ų134.376%0.76381%0.808SS**  cis-146-160.19.900000114.7
191K38.1Very low46.9Very low201 Ų201132.7 Ų132.787%0.87481%0.809SS**  trans-126.5130.4-158.140.7159.8-178.9168.30112.3
192D49.2Very low47.2Very low139 Ų139133.5 Ų133.574%0.74382%0.817SS**  trans-100.8-173.5174.2-68.3-27.6000112P593D192-P593 HydrophobicContact CB-CB 4.23Å; D192-P593 HydrophobicContact CB-CG 4.06Å
193G48.6Very low47.3Very low48 Ų48133.5 Ų133.550%0.49582%0.816SS.*  trans-74.3174.1-156.400000118.4P593G193-P593 VanDerWaalsContact CA-O 3.31Å; G193-P593 WeakPolarHBondContact CA-O 3.36Å; G193-P593 PolarHBondContact N-O 2.79Å
194L45.3Very low48Very low167 Ų167133 Ų13387%0.87481%0.813SS**PPolyproline II helixtrans-73.5146.5-179.5-66168.8000111.7
195P60Low48.6Very low122 Ų122132.5 Ų132.579%0.79281%0.808SS**PPolyproline II helixtrans-61.9151.2169.1-21.233.5000112.8
196G50.4Low48.9Very low70 Ų70129.5 Ų129.572%0.72281%0.805SS**PPolyproline II helixtrans-67.4159.6156.900000110.7
197L50.1Low49.5Very low178 Ų178132.6 Ų132.693%0.93281%0.805SS**PPolyproline II helixtrans-67143.7-176.2-63.9170000111.9
198D53.1Low50.1Low160 Ų160131.9 Ų131.986%0.85680%0.798SS**PPolyproline II helixtrans-65.2140.7169.9-58.9-60000110.2
199G48.3Very low49.9Very low72 Ų72128.9 Ų128.974%0.74280%0.795SS**PPolyproline II helixtrans-71.1147166.200000110.5
200E46.4Very low50.5Low197 Ų197131.6 Ų131.692%0.92180%0.796SS**PPolyproline II helixtrans-62.8138.3-173.4-60.3-169.4122.900112.8G202E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.15Å
201D55.6Low50.7Low164 Ų164131 Ų13188%0.87779%0.789SS**PPolyproline II helixtrans-58.5116.3173.4-86.2-40.1000110.1L203D201-L203 PolarHBondContact O-N 3.4Å
202G47.9Very low50.7Low72 Ų72128.2 Ų128.274%0.74278%0.78SS**PPolyproline II helixtrans-55.7126174.800000111.4E200E200-G202 PolarHBondContact O-N 3.01Å; E200-G202 VanDerWaalsContact O-N 3.15Å
203L48.3Very low50.5Low163 Ų163124.9 Ų124.985%0.85377%0.767SS**PPolyproline II helixtrans-52.9130.7-175.3-70.8174.4000111.3D201 G205D201-L203 PolarHBondContact O-N 3.4Å; L203-G205 PolarHBondContact O-N 2.83Å
204P62.2Low50.6Low124 Ų124125.4 Ų125.481%0.80577%0.773SS**PPolyproline II helixtrans-55.6116.8177.9-27.335.1000111.4
205G51.9Low50.2Low64 Ų64119.3 Ų119.366%0.6675%0.746SS**PPolyproline II helixtrans-53136.8-173.400000112.4L203 R207L203-G205 PolarHBondContact O-N 2.83Å; G205-R207 PolarHBondContact O-N 3.1Å
206P50.3Low49.5Very low129 Ų129119.6 Ų119.684%0.83875%0.745SS**PPolyproline II helixtrans-60125.9-176.824.6-33.6000110.1G208P206-G208 PolarHBondContact O-N 3.04Å
207R57Low49.3Very low241 Ų241118.6 Ų118.691%0.90974%0.735SS**  trans-58111.3179.9177.6-178.8175-178-2.2109.8G205G205-R207 PolarHBondContact O-N 3.1Å
208G50.8Low48.7Very low56 Ų56115 Ų11558%0.57772%0.716SS**  trans-54.8144.3-176.500000113.4P206P206-G208 PolarHBondContact O-N 3.04Å
209P46.2Very low48.1Very low131 Ų131114.7 Ų114.785%0.85171%0.712SS**  trans-63.4141176.227.6-34.1000110.6G211P209-G211 PolarHBondContact O-N 2.98Å
210Q57.7Low48.1Very low192 Ų192113.9 Ų113.990%0.89770%0.704SS**  trans-73.9113.6177.7-179.2177.7-28.600109.4
211G47.9Very low47.6Very low60 Ų60110.2 Ų110.262%0.61969%0.69SS**  trans-74.8139.9-167.800000115.8P209 S213P209-G211 PolarHBondContact O-N 2.98Å; G211-S213 PolarHBondContact O-N 3.1Å
212E37Very low47.2Very low144 Ų144110.4 Ų110.467%0.67369%0.69SS**  trans-77.871.2164.5-65-173.2134.400110.4L1297E212-L1297 WeakPolarHBondContact CB-O 3.2Å
213S46.2Very low46.8Very low68 Ų68109.9 Ų109.948%0.47668%0.684SS.*  trans24.2128.4138.9-72.70000117.6G211 Q1294 G1295 R1296G211-S213 PolarHBondContact O-N 3.1Å; S213-Q1294 VanDerWaalsContact CB-O 3.3Å; S213-Q1294 WeakPolarHBondContact CB-O 3.34Å; S213-G1295 CarbonylContact O-C 3.58Å; S213-G1295 WeakPolarHBondContact O-CA 3.34Å; S213-R1296 CarbonylContact O-C 3.46Å; S213-R1296 WeakPolarHBondContact O-CA 3.33Å
214G50.3Low46.4Very low59 Ų59108.8 Ų108.861%0.60869%0.687SS**  trans-104.3126.9-173.200000118.7
215A37Very low45.5Very low39 Ų39113 Ų11332%0.32269%0.692SS.*  trans-101.1119.9167.200000114.2G1295 R1296A215-G1295 WeakPolarHBondContact CB-O 3.46Å; A215-R1296 HydrophobicContact CB-CB 4.2Å; A215-R1296 VanDerWaalsContact N-CG 3.35Å; A215-R1296 WeakPolarHBondContact O-CD 3.24Å; A215-R1296 PolarHBondContact O-NH1 3.4Å
216V44.3Very low44.6Very low128 Ų128113 Ų11378%0.77669%0.693SS**  trans-63.5148.6152.4-169.40000108.4
217G47.4Very low43.8Very low49 Ų49115.7 Ų115.751%0.50569%0.694SS.*  cis114.1152.714.600000110.6
218L36Very low42.6Very low102 Ų102110 Ų11053%0.53469%0.691SS.*  trans-147.5159.1165.6-95.5-171.1000110.4Y1264L218-Y1264 HydrophobicContact CD1-CD2 3.67Å; L218-Y1264 HydrophobicContact CD1-CE2 3.98Å; L218-Y1264 HydrophobicContact CD1-CG 4.31Å; L218-Y1264 HydrophobicContact CD2-CD1 3.99Å; L218-Y1264 HydrophobicContact CD2-CD2 3.8Å; L218-Y1264 HydrophobicContact CD2-CE1 4.07Å; L218-Y1264 HydrophobicContact CD2-CE2 3.86Å; L218-Y1264 HydrophobicContact CD2-CG 3.84Å; L218-Y1264 HydrophobicContact CG-CD2 4.06Å; L218-Y1264 HydrophobicContact CG-CE2 3.97Å
219M41.7Very low41.8Very low154 Ų154110.7 Ų110.776%0.75970%0.699SS**  trans-100.5154.1-170-164.3163.467.500110.5
220G48.8Very low41.2Very low56 Ų56111.4 Ų111.458%0.57770%0.7SS**  trans-108.9179.6177.600000113.2
221D34.8Very low39.8Very low120 Ų120112.6 Ų112.664%0.64270%0.698SS**PPolyproline II helixtrans-102.7157.6179.7-81.744.7000112.1M1260D221-M1260 HydrophobicContact CB-CE 4.15Å; D221-M1260 VanDerWaalsContact OD1-CE 3.23Å; D221-M1260 WeakPolarHBondContact OD1-CE 3.27Å; D221-M1260 VanDerWaalsContact OD2-CE 3.31Å; D221-M1260 WeakPolarHBondContact OD2-CE 3.32Å
222I47.7Very low39.1Very low168 Ų168115.3 Ų115.386%0.86270%0.698SS**PPolyproline II helixtrans-96.5138.4-161.7-64165.5000112.2
223G39.4Very low38.9Very low60 Ų60115.9 Ų115.962%0.61970%0.696SS**PPolyproline II helixtrans-82.8143.6170.100000113.5
224P40.8Very low38.3Very low140 Ų140116 Ų11691%0.90969%0.693SS**PPolyproline II helixtrans-71.2159.9175.330.2-34.7000112.9
225K41.5Very low37.5Very low213 Ų213117.8 Ų117.893%0.92669%0.689SS**  trans-114.1145.3-160.1175.7-176.4177-178.20114.1
226G33.6Very low37.2Very low65 Ų65118.9 Ų118.967%0.6769%0.689SS**  trans123.9147155.300000116
227E33.1Very low36.9Very low184 Ų184117.3 Ų117.386%0.8668%0.675SS**  cis-152.4145-3.6-68.9-167.3100.500113.2
228S33.3Very low36.5Very low121 Ų121120.3 Ų120.385%0.84669%0.686SS**  trans45131.1138.9-53.30000123.4
229G32.3Very low36.6Very low72 Ų72116.8 Ų116.874%0.74267%0.674SS**  trans-150.3-8.1-176.500000122.6
230V34.3Very low36.5Very low146 Ų146117.6 Ų117.689%0.88568%0.681SS**  trans67.4144.5171.4-171.70000117.9
231Y29.3Very low36.1Very low217 Ų217125.8 Ų125.885%0.85170%0.695SS**  trans-123.9163.3-173.9-92.4-79.1000115.3
232N32.1Very low36.3Very low117 Ų117123.3 Ų123.363%0.62670%0.698SS**  trans142.3151.3151.7-75-10.2000111
233Y32.9Very low35.7Very low156 Ų156124.2 Ų124.261%0.61270%0.698SS**  cis-168.5169.2-9-98.6-29.4000107.9Q1638Y233-Q1638 VanDerWaalsContact CE2-NE2 3.31Å; Y233-Q1638 PolarHBondContact OH-NE2 3.31Å
234T32.7Very low35.6Very low70 Ų70126.8 Ų126.843%0.42970%0.704SS.*  cis-150.4156.7-1.53.80000109.9E1637T234-E1637 WeakPolarHBondContact CB-OE2 3.26Å; T234-E1637 PolarHBondContact OG1-OE2 3.07Å; T234-E1637 VanDerWaalsContact OG1-OE2 3.14Å
235N33.5Very low35.4Very low96 Ų96123 Ų12351%0.51369%0.69SS.*  trans60.7144.5147.5-68-31.7000121.6E1637N235-E1637 PolarHBondContact ND2-OE2 3.2Å
236I31.6Very low35.2Very low62 Ų62119.1 Ų119.132%0.31869%0.687SS.*  175.7152.6114.2-97.4118.2000114.2V620 R622I236-V620 WeakPolarHBondContact CB-O 3.29Å; I236-V620 HydrophobicContact CD1-CG1 4.25Å; I236-V620 VanDerWaalsContact CG1-C 3.49Å; I236-V620 HydrophobicContact CG1-CB 4.15Å; I236-V620 HydrophobicContact CG1-CG1 3.88Å; I236-V620 WeakPolarHBondContact CG1-O 3.28Å; I236-V620 WeakPolarHBondContact CG2-O 3.49Å; I236-R622 HydrophobicContact CD1-CB 3.6Å; I236-R622 HydrophobicContact CD1-CG 4.07Å; I236-R622 VanDerWaalsContact CD1-N 3.33Å; I236-R622 HydrophobicContact CG1-CB 4.48Å; I236-R622 VanDerWaalsContact CG1-N 3.25Å; I236-R622 VanDerWaalsContact CG2-O 3.26Å; I236-R622 WeakPolarHBondContact CG2-O 3.49Å
237I39.1Very low35.4Very low95 Ų95127.8 Ų127.849%0.48770%0.699SS.*  trans-118.6136.7173.2-60.8178.7000111.2V620 S621I237-V620 PolarHBondContact N-O 3.39Å; I237-S621 PolarHBondContact O-OG 2.64Å
238P37.8Very low35.5Very low113 Ų113121.5 Ų121.573%0.73468%0.684SS**  trans-93.6152.4178.62.717.9000114
239G39.4Very low35.3Very low27 Ų27124.7 Ų124.728%0.27869%0.685SS.*  trans-109.6112.7-179.600000115.9K1756G239-K1756 WeakPolarHBondContact O-CE 3.48Å; G239-K1756 PolarHBondContact O-NZ 2.87Å
240D38.9Very low35.3Very low172 Ų172128.8 Ų128.892%0.9269%0.69SS**  trans52.4149.8156.4-66.6-26.4000122.8
241R40.9Very low35.2Very low228 Ų228125 Ų12586%0.8668%0.681SS**  trans-113.1115.4-157.4-172.7-176.6-160.8163.58.4112.7
242G38.6Very low35.5Very low68 Ų68123.9 Ų123.970%0.70168%0.684SS**PPolyproline II helixtrans-69.9148.9161.200000111.7
243E33.9Very low35.9Very low187 Ų187123.5 Ų123.587%0.87469%0.688SS**PPolyproline II helixtrans-66.3155.2-172.4-70.9-164.9129.500114.4G245E243-G245 PolarHBondContact O-N 2.83Å
244P38.5Very low35.8Very low113 Ų113121.2 Ų121.273%0.73469%0.693SS**PPolyproline II helixtrans-70.2122.7-164.7-20.334000114.7
245G37Very low35.7Very low61 Ų61126.8 Ų126.863%0.62972%0.715SS**PPolyproline II helixtrans-61.7154150.800000110.8E243 R247E243-G245 PolarHBondContact O-N 2.83Å; G245-R247 PolarHBondContact O-N 2.7Å
246P37.2Very low35.8Very low132 Ų132128.9 Ų128.986%0.85773%0.726SS**PPolyproline II helixtrans-66.7127.1-167.625.1-34.4000113.6
247R37.2Very low35.7Very low247 Ų247133.4 Ų133.493%0.93275%0.747SS**PPolyproline II helixtrans-57.6136.4159.6-178-174.8-171.9175.54109.6G245G245-R247 PolarHBondContact O-N 2.7Å
248G34Very low35.3Very low52 Ų52135.2 Ų135.254%0.53676%0.758SS.*  cis145.2116.6-7.200000111
249Q30.6Very low34.9Very low187 Ų187139 Ų13987%0.87476%0.758SS**  trans62.6166.1178.5-58.6164.3-36.500112.9
250D30.9Very low34.5Very low158 Ų158143.2 Ų143.285%0.84577%0.77SS**  cis-122.1168.52.3-56.4-77.5000110.3
251G32.3Very low33.9Very low68 Ų68143.6 Ų143.670%0.70176%0.76SS**  cis-175.6-159.54.900000112.5
252Q36.3Very low33.4Very low193 Ų193138 Ų13890%0.90275%0.751SS**  trans-77.1-177.4-178.6-52167.9-42.600112.2
253P40.8Very low32.8Very low108 Ų108142.9 Ų142.970%0.70176%0.755SS**  cis-140.5-179.92.335.2-12000118.2
254C30Very low32.5Very low109 Ų109142.3 Ų142.374%0.73675%0.753SS**  trans68.3129.1144.966.90000125.1
255E31.6Very low32.1Very low187 Ų187145.2 Ų145.287%0.87476%0.757SS**  trans70112147.8-67.8-178-171.500122.7
256D34.6Very low31.7Very low139 Ų139148.7 Ų148.774%0.74376%0.76SS**  trans50.8116.5146.2-84.113.7000124.6
257M29.3Very low31.2Very low158 Ų158149.1 Ų149.178%0.77875%0.754SS**  trans74.5135.8140-75-173.1-86.100122.6
258D31.2Very low30.8Very low132 Ų132142.2 Ų142.271%0.70674%0.744SS**  trans70.292152.7-82.5-25.3000122
259R30.6Very low30.4Very low194 Ų194148.4 Ų148.473%0.73276%0.756SS**  72.1115111.7-75179.674.4158.68.4122.3
260E29.1Very low30.4Very low114 Ų114144.7 Ų144.753%0.53375%0.746SS.*  81.2138.8118.5-137.9-179.7158.100119.7
261Y28.2Very low30.3Very low181 Ų181144.6 Ų144.671%0.7173%0.734SS**  trans84.299.1167.2-64.3-69.6000122.9
262T28.8Very low30.4Very low109 Ų109143.4 Ų143.467%0.66972%0.722SS**  57.9129123.758.20000123.9
263E27.7Very low30.1Very low171 Ų171139.7 Ų139.780%0.79971%0.705SS**  trans57.1111.2134.3-62.8-176.2140.300121.6
264E27.6Very low29.5Very low176 Ų176138.1 Ų138.182%0.82270%0.7SS**  trans66.8115.6137.3-60.5-162.6144.800122.9
265E29.8Very low29.7Very low173 Ų173135 Ų13581%0.80869%0.687SS**  trans82.7149138.6-75.1-147.2125.300123.7
266L27.2Very low29.7Very low134 Ų134131.8 Ų131.870%0.70268%0.676SS**  trans88.7108.7155.8-103.471.4000121.8
267I28.1Very low29.8Very low141 Ų141131 Ų13172%0.72367%0.671SS**  trans99.7128141.9-54.8158000118.8
268S27.6Very low30.7Very low103 Ų103124.2 Ų124.272%0.7264%0.641SS**  trans67.4150.1160.457.80000118.6
269F25.2Very low31.1Very low182 Ų182122.5 Ų122.580%0.79864%0.637SS**  cis155.8155.7-18.9-126.1-81000104.3
270T31.2Very low31.7Very low108 Ų108118 Ų11866%0.66363%0.633SS**  trans70133.8165.4480000118.5
271R28Very low32.7Very low156 Ų156115.6 Ų115.659%0.58964%0.639SS**  cis92.299.837.5162.2165.7-126.5148.514.2111.7T1233 P1234 G1235R271-T1233 WeakPolarHBondContact CA-O 3.46Å; R271-T1233 VanDerWaalsContact CB-O 3.3Å; R271-T1233 WeakPolarHBondContact CB-O 3.12Å; R271-T1233 PolarHBondContact N-O 3.19Å; R271-T1233 VanDerWaalsContact N-O 3.11Å; R271-P1234 VanDerWaalsContact CG-C 3.41Å; R271-P1234 WeakPolarHBondContact CG-O 3.26Å; R271-P1234 PolarHBondContact NE-O 2.97Å; R271-P1234 PolarHBondContact NH2-O 2.89Å; R271-G1235 CarbonylContact C-O 3.53Å; R271-G1235 VanDerWaalsContact O-O 3.13Å
272G34.4Very low33.3Very low44 Ų44112.8 Ų112.845%0.45464%0.643SS.*  cis156.5-164.4-4.400000111.6G1235 L1236G272-G1235 VanDerWaalsContact C-C 3.47Å; G272-G1235 PolarHBondContact N-O 2.86Å; G272-G1235 CarbonylContact O-C 3.45Å; G272-L1236 PolarHBondContact O-N 2.97Å
273Q30.5Very low33.7Very low115 Ų115115.3 Ų115.354%0.53764%0.644SS.*  trans51.7169.5152.4-80.2-173.6-88.700121.8P1234 L1236Q273-P1234 HydrophobicContact CG-CB 4.09Å; Q273-P1234 PolarHBondContact OE1-O 3.23Å; Q273-L1236 CarbonylContact C-O 3.59Å; Q273-L1236 VanDerWaalsContact CB-O 3.31Å; Q273-L1236 WeakPolarHBondContact CB-O 3.3Å
274A28.7Very low34.1Very low74 Ų74110.1 Ų110.161%0.61264%0.637SS**  cis-159.1-91.9-17.100000115.4L1236A274-L1236 WeakPolarHBondContact CB-O 3.2Å; A274-L1236 PolarHBondContact N-O 3.32Å
275G33.8Very low34.5Very low45 Ų45107.5 Ų107.546%0.46463%0.628SS.*  trans-127.8-155.2-155.100000118.3
276D31.6Very low34.9Very low119 Ų119104.9 Ų104.964%0.63663%0.63SS**  trans139.9110.5-167.861.7-94.1000113.5G1238 D1239D276-G1238 WeakPolarHBondContact OD1-CA 3.5Å; D276-D1239 HydrophobicContact CB-CB 4.29Å; D276-D1239 WeakPolarHBondContact CB-OD2 3.49Å; D276-D1239 PolarHBondContact N-O 2.71Å; D276-D1239 PolarHBondContact OD1-N 2.78Å
277I37.4Very low35.1Very low123 Ų123101.7 Ų101.763%0.63163%0.629SS**  cis-160.8146.5-5.7170.2160.3000109.6D1239 G1241I277-D1239 WeakPolarHBondContact CA-OD2 3.34Å; I277-D1239 WeakPolarHBondContact CB-OD2 3.47Å; I277-D1239 WeakPolarHBondContact CD1-OD2 3.48Å; I277-D1239 WeakPolarHBondContact CG1-OD2 3.29Å; I277-G1241 CarbonylContact C-O 3.39Å; I277-G1241 VanDerWaalsContact O-O 3.1Å
278G47.3Very low35.4Very low15 Ų15104.2 Ų104.216%0.15564%0.638CS.*  trans-169154.517300000124I1240 P1242G278-I1240 VanDerWaalsContact O-O 3.1Å; G278-P1242 VanDerWaalsContact CA-CD 3.5Å; G278-P1242 VanDerWaalsContact CA-CG 3.43Å
279P41Very low36Very low95 Ų95105.1 Ų105.162%0.61764%0.641SS**  trans-151.2-174.1150.844.9-28.4000114.6P1242P279-P1242 VanDerWaalsContact C-CB 3.46Å; P279-P1242 VanDerWaalsContact N-CB 3.33Å; P279-P1242 WeakPolarHBondContact O-CB 3.47Å; P279-P1242 VanDerWaalsContact O-CG 3.31Å; P279-P1242 WeakPolarHBondContact O-CG 3.31Å
280P42.3Very low36.4Very low99 Ų99100.1 Ų100.164%0.64364%0.641SS**  -138.6159.6-65.641.8-24.8000115.3
281G50.2Low37.1Very low65 Ų65103.1 Ų103.167%0.6765%0.653SS**  trans-83.3142.1171.400000115.7
282P41.5Very low37.4Very low121 Ų121105.3 Ų105.379%0.78667%0.67SS**  trans-144167.4144.440.2-26.4000112.3
283K35.6Very low37.9Very low162 Ų162106.5 Ų106.570%0.70468%0.682SS**  cis-158.1166.13.7-134.3-174.6174.6-86.50106D285K283-D285 IonicContact NZ-OD1 2.64Å; K283-D285 PolarHBondContact NZ-OD1 2.79Å; K283-D285 IonicContact NZ-OD2 2.64Å; K283-D285 PolarHBondContact NZ-OD2 2.79Å
284G37.6Very low38.4Very low62 Ų62108.3 Ų108.364%0.63970%0.695SS**  69.2142.153.300000113.1
285D36.4Very low38.8Very low121 Ų121112.9 Ų112.965%0.64771%0.706SS**  cis-160.5162.60.8-13.6-85.2000108K283K283-D285 IonicContact NZ-OD1 2.64Å; K283-D285 PolarHBondContact NZ-OD1 2.79Å; K283-D285 IonicContact NZ-OD2 2.64Å; K283-D285 PolarHBondContact NZ-OD2 2.79Å
286S36.8Very low38.8Very low119 Ų119114.1 Ų114.183%0.83272%0.719SS**  cis179137.9-19.151.50000110.3
287G32.1Very low39.1Very low67 Ų67116.8 Ų116.869%0.69173%0.732SS**  trans139.6139.7168.600000114.3
288E35Very low39.1Very low193 Ų193120 Ų12090%0.90275%0.745SS**  cis82.3155.548.7-79.2-172.817700114.4
289P40.5Very low38.5Very low122 Ų122122.4 Ų122.479%0.79277%0.77SS**  cis-138.5177.1-13.135.9-16.9000116.1
290G32.7Very low38.4Very low77 Ų77127.5 Ų127.579%0.79479%0.785SS**  114.6120.5129.200000119.9
291D46.3Very low38.3Very low171 Ų171132 Ų13291%0.91480%0.798SS**  trans-85.5136.7162.1-56.4-81.5000111.9
292E34.8Very low37.6Very low203 Ų203132.2 Ų132.295%0.94980%0.8SS**  -161.7169.3125.1-149.1161.1-159.600109.1
293G44.4Very low37.5Very low69 Ų69131.8 Ų131.871%0.71180%0.8SS**  trans-138.4142.4177.100000111.7
294D40.3Very low38.1Very low152 Ų152129.2 Ų129.281%0.81379%0.793SS**  trans-143.2165.8178.4-142.6-18.8000111.6
295M37.8Very low38.4Very low170 Ų170127.9 Ų127.984%0.83778%0.778SS**  trans-87.3127.5-159.8-71.2161.8-76.700116
296G34Very low38.4Very low71 Ų71127.3 Ų127.373%0.73277%0.772SS**  52.7124.8118.300000121.4
297L37.9Very low38.5Very low176 Ų176127.9 Ų127.992%0.92176%0.759SS**  trans-126.3109.8148.1-79.7178.5000111.1
298Q36.2Very low39.2Very low190 Ų190127.8 Ų127.889%0.88876%0.758SS**  trans-59140.4144.1178-175.221.700107.8
299G35.9Very low39.4Very low66 Ų66127.1 Ų127.168%0.6876%0.755SS**  cis141152.8500000108.7
300E37.9Very low39.5Very low201 Ų201126.8 Ų126.894%0.93976%0.756SS**  trans-129.2136.1161.6-78.5-159.9145.600110.3
301E40.5Very low40Very low194 Ų194126.2 Ų126.291%0.90775%0.75SS**  trans-72.3156170.1-62.5154.694.800109.6
302G36.4Very low39.3Very low70 Ų70127.2 Ų127.272%0.72275%0.749SS**  cis128.4145.35.300000111.3
303S39.4Very low40Very low111 Ų111123.6 Ų123.678%0.77674%0.743SS**  trans-154.675.4166.660.40000110.8
304I47Very low39.9Very low109 Ų109123.5 Ų123.556%0.55974%0.742SS**  36.6119.8125.5-41.1149.4000115R1276I304-R1276 HydrophobicContact CG2-CG 4.34Å; I304-R1276 VanDerWaalsContact CG2-CZ 3.48Å; I304-R1276 VanDerWaalsContact CG2-NH2 3.26Å; I304-R1276 PolarHBondContact O-NH1 3.38Å
305G45.2Very low39.6Very low33 Ų33125 Ų12534%0.3475%0.749SS.*  cis177.31752.600000110.2R1276G305-R1276 WeakPolarHBondContact O-CA 3.42Å; G305-R1276 WeakPolarHBondContact O-CB 3.41Å; G305-R1276 PolarHBondContact O-N 3.28Å
306E35Very low39.9Very low110 Ų110125 Ų12551%0.51475%0.753SS.*  trans-108.2139.4-164.8-78.3146.4-137.500114.8K1270 G1274 R1276 G1277E306-K1270 VanDerWaalsContact OE1-CE 3.3Å; E306-K1270 WeakPolarHBondContact OE1-CE 3.4Å; E306-K1270 IonicContact OE1-NZ 2.66Å; E306-K1270 PolarHBondContact OE1-NZ 3.46Å; E306-K1270 WeakPolarHBondContact OE2-CE 3.18Å; E306-K1270 IonicContact OE2-NZ 2.72Å; E306-K1270 PolarHBondContact OE2-NZ 3.15Å; E306-G1274 VanDerWaalsContact CA-O 3.27Å; E306-G1274 WeakPolarHBondContact CA-O 3.35Å; E306-R1276 VanDerWaalsContact C-N 3.33Å; E306-G1277 PolarHBondContact O-N 2.95Å
307K38.8Very low40.3Very low130 Ų130124.6 Ų124.657%0.56575%0.748SS**PPolyproline II helixtrans-71.7130.7173.8-160.9178.5179.5-163.90107.8G1274 L1275K307-G1274 PolarHBondContact N-O 3.46Å; K307-L1275 VanDerWaalsContact CB-C 3.48Å; K307-L1275 VanDerWaalsContact CB-N 3.33Å; K307-L1275 WeakPolarHBondContact CB-O 3.48Å
308G48.4Very low40.2Very low65 Ų65122.7 Ų122.767%0.6774%0.739SS**PPolyproline II helixtrans-74.5122.3155.200000107.9
309E37.5Very low40.9Very low179 Ų179119.9 Ų119.984%0.83674%0.737SS**PPolyproline II helixtrans-65.6151.7155.1-65.6-173.4132.500108.6G311E309-G311 PolarHBondContact O-N 3.42Å
310S42.9Very low41.1Very low116 Ų116120.1 Ų120.181%0.81174%0.74SS**PPolyproline II helixtrans-69.8129.7-164.240.90000112.4
311G42.9Very low41.3Very low64 Ų64117.8 Ų117.866%0.6673%0.729SS**PPolyproline II helixtrans-69.4151.7155.200000110.3E309E309-G311 PolarHBondContact O-N 3.42Å
312E31.5Very low41Very low193 Ų193116.8 Ų116.890%0.90273%0.73SS**PPolyproline II helixtrans-54.6129.3178.9-62.7164.6116.500111.3G314E312-G314 PolarHBondContact O-N 2.81Å
313P50.3Low41.2Very low127 Ų127117.3 Ų117.383%0.82574%0.735SS**PPolyproline II helixtrans-63.3119.7172.6-23.234.6000111.3
314G43Very low41Very low67 Ų67120.2 Ų120.269%0.69174%0.742SS**PPolyproline II helixtrans-65.9143.5164.600000110.6E312 D316E312-G314 PolarHBondContact O-N 2.81Å; G314-D316 PolarHBondContact O-N 3.32Å; G314-D316 VanDerWaalsContact O-N 3.13Å
315L34Very low40.7Very low183 Ų183122.1 Ų122.196%0.95876%0.758SS**  trans-54.4112.5-176.2-61.1168.9000112.5
316D44.3Very low40.3Very low171 Ų171123.6 Ų123.691%0.91477%0.773SS**PPolyproline II helixtrans-76.2137.6168-98.2-33.5000110.3G314G314-D316 PolarHBondContact O-N 3.32Å; G314-D316 VanDerWaalsContact O-N 3.13Å
317G41.6Very low40.6Very low61 Ų61124 Ų12463%0.62979%0.786SS**PPolyproline II helixtrans-99.6155.2-175.300000114.5P319G317-P319 WeakPolarHBondContact O-CD 3.36Å
318D35.6Very low40.7Very low136 Ų136125.5 Ų125.573%0.72780%0.798SS**PPolyproline II helixtrans-54.9120.2-164.6-44.5-79.6000116G320D318-G320 PolarHBondContact O-N 2.89Å
319P50.2Low40.3Very low131 Ų131125.7 Ų125.785%0.85180%0.8SS**  trans-77.1105.2159.9-11.529.5000109.6G317G317-P319 WeakPolarHBondContact O-CD 3.36Å
320G41.7Very low40.3Very low72 Ų72126.1 Ų126.174%0.74280%0.802SS**  trans-74.1161.5-169.700000117.1D318D318-G320 PolarHBondContact O-N 2.89Å
321E41.9Very low39.9Very low152 Ų152125.6 Ų125.671%0.7181%0.805SS**  trans-61.6140.2173.5-48.9164.511200113.5K163K163-E321 IonicContact NZ-OE2 2.59Å; K163-E321 PolarHBondContact NZ-OE2 3.45Å; K163-E321 VanDerWaalsContact NZ-OE2 3.12Å
322D34.4Very low39.7Very low173 Ų173125.2 Ų125.293%0.92580%0.801SS**  trans170.9132.9135.3-95.9-25.3000110.1
323G40.4Very low40Very low81 Ų81123.8 Ų123.884%0.83580%0.799SS**  trans154.586.5165.300000118.4
324D34.5Very low39.5Very low172 Ų172125.4 Ų125.492%0.9280%0.801SS**  trans-69.9164.7171.2-101.6-51.2000114.9
325V41Very low39.5Very low148 Ų148125 Ų12590%0.89780%0.796SS**  trans-79.4140-156.7177.10000117.3
326G35.5Very low39.7Very low64 Ų64120.8 Ų120.866%0.6678%0.782SS**  trans132.5174.1138.700000117.8
327P43.3Very low39.2Very low119 Ų119120.6 Ų120.677%0.77378%0.781SS**  cis-136.8142.3-3.839-21.2000117.4
328I39Very low39Very low162 Ų162120.8 Ų120.883%0.83178%0.783SS**  trans44.3126132.2-54.7173.2000121.7
329G41.2Very low39.9Very low69 Ų69118.5 Ų118.571%0.71178%0.776SS**  133.8148.9127.200000118
330Q36.9Very low39.5Very low188 Ų188117.9 Ų117.988%0.87977%0.771SS**  cis-159.5166.7-8-116.1179.712.400110.8
331A34.8Very low39.5Very low105 Ų105116.8 Ų116.887%0.86876%0.76SS**  trans-87.6-173.3179.800000112.6
332G39.2Very low40.2Very low56 Ų56113.6 Ų113.658%0.57775%0.752SS**  cis169.5-139.911.400000111.9
333N37.3Very low40.5Very low162 Ų162113.9 Ų113.987%0.86675%0.748SS**  trans82.1136.5174.4-48.8-56.5000115.7
334L39.8Very low40.4Very low162 Ų162113.4 Ų113.485%0.84874%0.744SS**  cis-163.5156.80.9-168.767.6000108.4
335G42.7Very low40.6Very low57 Ų57108.8 Ų108.859%0.58873%0.729SS**  cis154.7165-7.700000113
336S37.6Very low40.4Very low95 Ų95110.1 Ų110.166%0.66473%0.73SS**  trans56.7104.3165.963.70000121.9
337D34.8Very low40.5Very low167 Ų167110.8 Ų110.889%0.89374%0.736SS**  63.7143.8126.9-37.6-32.1000122
338G38.4Very low40.4Very low65 Ų65109.1 Ų109.167%0.6774%0.74SS**  cis-171.3-1790.800000113.3
339P53.3Low40.7Very low89 Ų89112 Ų11258%0.57875%0.747SS**  trans-100.7145.7-165.337.6-35.1000116.6
340P41.3Very low40.6Very low117 Ų117111.6 Ų111.676%0.7674%0.743SS**  trans-147.2165131.837.7-23000113.1
341G42.2Very low40.8Very low49 Ų49111 Ų11151%0.50575%0.746SS.*  cis174.8167.2-4.500000110.4
342P56.4Low40.8Very low85 Ų85117.9 Ų117.955%0.55275%0.749SS**  trans-73.9178.5-178.2-1833.8000114.8D141D141-P342 WeakPolarHBondContact OD2-CG 3.04Å
343E40.3Very low40.7Very low179 Ų179118.7 Ų118.784%0.83676%0.758SS**  cis-150.8-178.37.2-154.3-143.1157.600110.3
344G38.6Very low40.8Very low72 Ų72116.4 Ų116.474%0.74275%0.752SS**  trans177122.3165.500000115.7
345A38.3Very low40.4Very low74 Ų74117.9 Ų117.961%0.61275%0.754SS**  trans-124.7145.8-163.600000117.1
346I37.8Very low39.8Very low177 Ų177118.5 Ų118.591%0.90876%0.76SS**  trans73.6130.4150.6-64.6160.4000121.2
347G37.8Very low39.8Very low77 Ų77124.9 Ų124.979%0.79477%0.769SS**  trans144.1118.5153.700000114
348G41.9Very low40.1Very low84 Ų84123.9 Ų123.987%0.86676%0.764SS**  cis-158.2-1614.300000112.8
349K43.3Very low39.9Very low223 Ų223124 Ų12497%0.9777%0.766SS**  trans-123.2145.7-156.3-179.6176.8-178.4172.10115.8
350G39.9Very low39Very low60 Ų60128.5 Ų128.562%0.61978%0.784SS**  trans159.9140.816700000110.3
351D40.6Very low38.7Very low177 Ų177131.5 Ų131.595%0.94779%0.788SS**  cis-132.8-161.71.3-78.7-42.7000111.8
352R35.2Very low38.6Very low249 Ų249131.9 Ų131.994%0.9479%0.792SS**  trans-138.1120.5-147-173.1-169.7-162.1179.95.3117
353G36.8Very low37.4Very low73 Ų73134 Ų13475%0.75380%0.799SS**  trans72-173.8150.400000118.1
354P39.2Very low37.7Very low114 Ų114131 Ų13174%0.7480%0.795SS**  cis-125.9170.21.539.1-23.6000116.5
355H31.2Very low38Very low192 Ų192130.4 Ų130.489%0.88979%0.789SS**  trans-3.9138.7153.8-4180000117.1
356G31.6Very low37.7Very low70 Ų70130.9 Ų130.972%0.72279%0.785SS**  cis147.9166.647.700000106
357R37.6Very low37.9Very low229 Ų229127 Ų12786%0.86478%0.78SS**  cis-123143.224.3-58.6166.5175.4167.5-5.8111.2
358D40.7Very low37.7Very low146 Ų146127 Ų12778%0.78178%0.78SS**  21.5129.5107.4-16.6-52.7000115.4
359G33.6Very low37.9Very low69 Ų69130.6 Ų130.671%0.71178%0.778SS**  cis116.895.32000000108.4Q361G359-Q361 VanDerWaalsContact C-N 3.35Å; G359-Q361 PolarHBondContact O-N 2.85Å
360L34.7Very low37.4Very low183 Ų183126.2 Ų126.296%0.95877%0.772SS**  trans-75.490.2-178.1-70.8176.5000110.5G362L360-G362 PolarHBondContact O-N 2.68Å
361Q35.5Very low37Very low179 Ų179126.6 Ų126.684%0.83678%0.775SS**  trans-6.6116.4146.3-176.8173.3-0.100114.3G359G359-Q361 VanDerWaalsContact C-N 3.35Å; G359-Q361 PolarHBondContact O-N 2.85Å
362G40.2Very low36.5Very low57 Ų57128.1 Ų128.159%0.58877%0.774SS**PPolyproline II helixtrans-90.5164.5168.800000112.2L360 P364L360-G362 PolarHBondContact O-N 2.68Å; G362-P364 VanDerWaalsContact O-CD 3.28Å; G362-P364 WeakPolarHBondContact O-CD 3.49Å
363D31.1Very low36.3Very low130 Ų130120.6 Ų120.670%0.69577%0.765SS**PPolyproline II helixtrans-58.9119173.6-54-21.8000110.6K394D363-K394 IonicContact OD2-NZ 2.63Å; D363-K394 PolarHBondContact OD2-NZ 2.96Å
364P46.3Very low36.2Very low116 Ų116123.1 Ų123.175%0.75377%0.766SS**PPolyproline II helixtrans-76137.4169.1-11.429.2000110.1G362G362-P364 VanDerWaalsContact O-CD 3.28Å; G362-P364 WeakPolarHBondContact O-CD 3.49Å
365G44.8Very low35.6Very low60 Ų60123.5 Ų123.562%0.61977%0.77SS**PPolyproline II helixtrans-82.7148.4160.100000110.5
366P32.7Very low36Very low83 Ų83119.6 Ų119.654%0.53976%0.761SS.*PPolyproline II helixtrans-65138.7177.127.3-34000110.9D679 D680P366-D679 HydrophobicContact CB-CB 4.18Å; P366-D680 WeakPolarHBondContact CG-OD2 3.04Å
367A41.6Very low35.9Very low96 Ų96122.2 Ų122.279%0.79376%0.763SS**  trans-136.5128.4-179.100000111.2
368G34Very low35.7Very low77 Ų77119.3 Ų119.379%0.79476%0.759SS**  trans-64.3151.5-17300000115.8
369I45.8Very low35.6Very low160 Ų160118.9 Ų118.982%0.82175%0.751SS**  trans-76.9144.8-173.1-42.7168.6000111.6
370P31.5Very low35.8Very low131 Ų131120.8 Ų120.885%0.85174%0.74SS**  trans-145.692.5130.533.7-16.1000116.9
371G32.1Very low36.6Very low67 Ų67114.2 Ų114.269%0.69171%0.708SS**  trans81.1173.415200000118.8
372K29.8Very low36.7Very low210 Ų210111 Ų11191%0.91369%0.691SS**  cis-169.9113.64.5-155.2175.4-167167.30112.6
373A32.5Very low36.6Very low91 Ų91111.2 Ų111.275%0.75269%0.694SS**  trans-179.6103.7154.800000117
374T33Very low36.8Very low125 Ų125112.4 Ų112.477%0.76770%0.695SS**  trans35.7109.5135.155.30000123.4
375C27.9Very low36.5Very low122 Ų122116 Ų11682%0.82470%0.699SS**  48.3154.8109.1-58.40000122.9
376P38.7Very low36.2Very low110 Ų110116.4 Ų116.471%0.71470%0.703SS**  cis-145.2171.8-18.836-14.1000118.7
377V30.7Very low36.3Very low126 Ų126120.7 Ų120.776%0.76472%0.721SS**  trans67.9116.4153.9-70.30000125.1
378E33.2Very low36.6Very low168 Ų168121.4 Ų121.479%0.78572%0.717SS**  trans87.1109.1133.4-70.2-173.5168.900124.8
379F37.6Very low36.6Very low137 Ų137120.7 Ų120.760%0.60171%0.71SS**  trans90.8107.5136.7-80-129.2000124
380F38.3Very low36.1Very low109 Ų109121.8 Ų121.848%0.47871%0.711SS.*  102.7146.8123.2-74.216000122.3G1519 E1520F380-G1519 VanDerWaalsContact CE2-CA 3.48Å; F380-G1519 VanDerWaalsContact CZ-CA 3.44Å; F380-E1520 HydrophobicContact CD1-CB 4.02Å; F380-E1520 HydrophobicContact CD1-CG 4.16Å; F380-E1520 VanDerWaalsContact CD1-N 3.3Å; F380-E1520 HydrophobicContact CE1-CB 4.17Å; F380-E1520 VanDerWaalsContact CE1-N 3.26Å; F380-E1520 VanDerWaalsContact CE1-O 3.3Å; F380-E1520 WeakPolarHBondContact CE1-O 3.45Å; F380-E1520 PolarHBondContact N-OE2 2.87Å
381P51.7Low37.2Very low45 Ų45121.7 Ų121.729%0.29271%0.71SS.*  -146.4-133.2-122.849.9-31.3000120.6D1517 T1518 E1520P381-D1517 HydrophobicContact CG-CB 4.49Å; P381-D1517 WeakPolarHBondContact O-CB 3.34Å; P381-T1518 WeakPolarHBondContact CG-O 3.44Å; P381-E1520 HydrophobicContact CB-CG 3.52Å; P381-E1520 HydrophobicContact CG-CG 3.79Å
382K36.8Very low37.4Very low110 Ų110121.3 Ų121.348%0.47871%0.706SS.*  trans75.5147.8-170.4-84.6-152.9-135.1111.20118.3R1515 D1517K382-R1515 PolarHBondContact NZ-O 3.35Å; K382-D1517 HydrophobicContact CB-CB 3.69Å; K382-D1517 VanDerWaalsContact CB-OD1 3.24Å; K382-D1517 WeakPolarHBondContact CB-OD1 3.34Å; K382-D1517 HydrophobicContact CD-CB 4.33Å; K382-D1517 WeakPolarHBondContact CD-OD1 3.36Å; K382-D1517 VanDerWaalsContact CE-OD1 3.3Å; K382-D1517 WeakPolarHBondContact CE-OD1 3.21Å; K382-D1517 HydrophobicContact CG-CB 3.69Å; K382-D1517 WeakPolarHBondContact CG-OD1 3.47Å; K382-D1517 IonicContact NZ-OD1 3.94Å; K382-D1517 PolarHBondContact NZ-OD1 3.34Å
383G39.1Very low37.8Very low63 Ų63119.6 Ų119.665%0.64971%0.707SS**  cis156.6152.2-13.300000117.3
384E34.9Very low38.2Very low155 Ų155123.1 Ų123.172%0.72471%0.706SS**  trans57.5145.9160.6-62-170.8-131.400120
385K40.7Very low38.9Very low190 Ų190120.9 Ų120.983%0.82671%0.707SS**  cis-165.7155.37.3-132.6-177.8-176.8108.20111.5
386G38.4Very low39.4Very low69 Ų69122 Ų12271%0.71171%0.711SS**  trans162.8138.7163.600000116.4
387L34.1Very low39.9Very low174 Ų174126 Ų12691%0.91172%0.72SS**  trans-158.1174.5-174.2-69.6172.8000110.2
388P47.5Very low40.6Very low111 Ų111123.1 Ų123.172%0.72172%0.715SS**  -140.7-178.2-56.642.9-26.4000114.9
389G34.1Very low40.7Very low61 Ų61124.3 Ų124.363%0.62972%0.721SS**  trans94.8152.4151.400000118.8
390H35.3Very low41.5Very low184 Ų184124 Ų12485%0.85273%0.732SS**  cis-151.9161.9-13.6-85.8-72000110.3
391P54.1Low41.6Very low128 Ų128122.2 Ų122.283%0.83175%0.745SS**  trans-119-178.5-162.843.7-33.3000116.4
392G37.3Very low41.1Very low59 Ų59128.4 Ų128.461%0.60878%0.775SS**  trans159.9147.6161.500000111.4
393D38Very low42.1Very low174 Ų174129 Ų12993%0.9379%0.79SS**  cis-150.8166-13.2-84.8-47.4000109.6
394K40.2Very low42.4Very low166 Ų166129.5 Ų129.572%0.72280%0.795SS**  trans-116.9126.3-174.4-154.5167.9-171.1171.40111.5D363D363-K394 IonicContact OD2-NZ 2.63Å; D363-K394 PolarHBondContact OD2-NZ 2.96Å
395G47.6Very low42.7Very low77 Ų77129.1 Ų129.179%0.79480%0.798SS**  trans-66.6150.7178.200000113.4
396T39.7Very low43.4Very low147 Ų147129 Ų12990%0.90280%0.801SS**  trans-77.1150.1-16949.50000114.8
397Q47.8Very low43.7Very low194 Ų194128.5 Ų128.591%0.90780%0.795SS**  trans-116.1141.4162.5-177.5174.9-33.300109.2
398G45.2Very low43.8Very low65 Ų65129.2 Ų129.267%0.6779%0.793SS**PPolyproline II helixtrans-73168.4-169.400000116.5
399E35.4Very low44Very low193 Ų193134 Ų13490%0.90280%0.803SS**PPolyproline II helixtrans-65.1131.3-169.8-58.4-175.3137.700114.5
400P54.5Low44.5Very low129 Ų129134.2 Ų134.284%0.83881%0.806SS**PPolyproline II helixtrans-77.7132.9166.2-14.330.7000112.1
401G41Very low44.7Very low73 Ų73132 Ų13275%0.75381%0.805SS**PPolyproline II helixtrans-72.7154.6179.200000115.1
402L42.2Very low44.7Very low175 Ų175131.7 Ų131.792%0.91680%0.803SS**PPolyproline II helixtrans-66.1130-175.2-64.7170.7000113.8
403P57.6Low45Very low121 Ų121132.3 Ų132.379%0.78681%0.809SS**PPolyproline II helixtrans-74.1149162.1-11.928.9000111.4
404G44.1Very low45.1Very low74 Ų74132 Ų13276%0.76381%0.807SS**  trans-109.9165.1179.900000114.9
405D41Very low45.3Very low148 Ų148133.8 Ų133.879%0.79182%0.818SS**  trans-84.6159.7-158.3-57.9-89000116.7
406Q55.5Low44.9Very low188 Ų188133.7 Ų133.788%0.87982%0.817SS**  trans-140.1123.6172.5-170.3-178.3-36.300110.9
407G45.1Very low44.7Very low57 Ų57134.3 Ų134.359%0.58881%0.814SS**  trans-74.4176.4-161.500000119.1
408E37.4Very low44.4Very low189 Ų189133.4 Ų133.488%0.88381%0.807SS**  trans-67.6161.9-167.2-63.7-155.5125.700116.5
409K51.4Low43.8Very low211 Ų211134.2 Ų134.292%0.91782%0.816SS**  trans-139.3111.4169.6-151.1166-168.5165.50110.9
410G43.4Very low44Very low67 Ų67131 Ų13169%0.69181%0.809SS**PPolyproline II helixtrans-64.7163.3-158.800000118.6
411V40.1Very low43.4Very low137 Ų137135.5 Ų135.583%0.8381%0.809SS**PPolyproline II helixtrans-81.8124.9-165.6-166.60000113.8
412P53.5Low42.9Very low121 Ų121135.7 Ų135.779%0.78681%0.811SS**PPolyproline II helixtrans-77.8123.2161.1-10.928.9000110.4
413G44.7Very low42.6Very low72 Ų72131.5 Ų131.574%0.74280%0.797SS**PPolyproline II helixtrans-77.6169-163.200000118.6
414D39.5Very low41.5Very low167 Ų167135 Ų13589%0.89380%0.802SS**PPolyproline II helixtrans-80.1118.7-170.1-67.3-68.7000116.5
415E44.7Very low41.8Very low204 Ų204134.7 Ų134.795%0.95380%0.8SS**  trans-144132.5145.5-76.1-162.6142.200108.5
416G38.9Very low42Very low75 Ų75134.8 Ų134.877%0.77379%0.793SS**  cis-175.2164.5-4.100000110.4
417L36.1Very low41.3Very low160 Ų160133.9 Ų133.984%0.83879%0.792SS**  trans-76.9128.7-166.8-85.2171.1000116.1
418K41.4Very low40.5Very low175 Ų175136 Ų13676%0.76180%0.797SS**  trans69.6111151.2-68172.9178.9168.50119.4
419G33.1Very low40.4Very low82 Ų82134.9 Ų134.985%0.84579%0.792SS**  trans-123113144.600000110.4
420V38.1Very low40Very low127 Ų127130.5 Ų130.577%0.7779%0.785SS**  trans-103.9114.7-170.5178.70000113
421R41.8Very low39.4Very low223 Ų223130.2 Ų130.284%0.84278%0.782SS**  trans73.2131.6151.5-163.7179.8-160.7153.69.4120.2
422G30.5Very low39.1Very low77 Ų77129.5 Ų129.579%0.79478%0.78SS**  trans-146.3146.8149.300000109.2
423S36.2Very low38Very low87 Ų87132.9 Ų132.961%0.60879%0.785SS**  trans-149.2132.6-169.255.10000116
424Q35.2Very low37.7Very low193 Ų193132.8 Ų132.890%0.90279%0.785SS**  trans58.7121.3153.8-69-177.8-21.900122.4
425G49.9Very low37.4Very low69 Ų69130.5 Ų130.571%0.71178%0.779SS**  87.1158.8119.500000120.3
426K46.2Very low37.4Very low150 Ų150128.1 Ų128.165%0.65278%0.778SS**  trans174.6122.5138.8-99.1162.8-165.3-154.50116.8E429K426-E429 WeakPolarHBondContact CD-O 3.43Å; K426-E429 VanDerWaalsContact CE-O 3.28Å; K426-E429 WeakPolarHBondContact CE-O 3.29Å; K426-E429 PolarHBondContact NZ-O 2.86Å
427I39.6Very low36.9Very low168 Ų168127.6 Ų127.686%0.86277%0.773SS**SBend-137.5131.9112.5-69.1-170.4000104.1
428C28.7Very low36.6Very low101 Ų101126.5 Ų126.568%0.68277%0.773SS**SBendcis-109174.912.7-80.20000115.4
429E36.6Very low36.8Very low166 Ų166128.7 Ų128.778%0.77678%0.782SS**  trans66116.9162.5-60.4-108.6118.800118.3K426K426-E429 WeakPolarHBondContact CD-O 3.43Å; K426-E429 VanDerWaalsContact CE-O 3.28Å; K426-E429 WeakPolarHBondContact CE-O 3.29Å; K426-E429 PolarHBondContact NZ-O 2.86Å
430P42Very low36.7Very low120 Ų120127.5 Ų127.578%0.77977%0.77SS**  trans-121.3160.4-155.723.40.9000116.5
431G31.4Very low36.2Very low61 Ų61133.6 Ų133.663%0.62978%0.779SS**  trans-128.3147.9163.900000109.6
432P32.3Very low36Very low121 Ų121132.3 Ų132.379%0.78678%0.776SS**  trans-102147.7-157.137.3-35.6000116.8
433Q32Very low36.3Very low192 Ų192132.5 Ų132.590%0.89778%0.778SS**  trans67.8119.8135.9-172.8175.410.900120.5
434G37.9Very low36Very low71 Ų71135.9 Ų135.973%0.73278%0.781SS**  trans165.565.7156.900000118.5
435P32.5Very low36.3Very low119 Ų119134.6 Ų134.677%0.77378%0.781SS**  trans-82.4130.7172.132.9-32.7000113.4
436V44.7Very low35.5Very low154 Ų154135.2 Ų135.293%0.93379%0.788SS**  trans39.6117.9157.1-171.50000120
437G29.4Very low35.2Very low64 Ų64132.4 Ų132.466%0.6679%0.792SS**  trans178.5141.4148.400000111.3
438V28.8Very low34.9Very low137 Ų137133.7 Ų133.783%0.8380%0.795SS**  cis-156.3168.7-6.5-85.80000108.6G440V438-G440 PolarHBondContact O-N 3.15Å
439K46.3Very low35.1Very low220 Ų220131.9 Ų131.996%0.95779%0.793SS**  trans-67112.8169.3-174.9173.2-175.1170.30110.9
440G30.5Very low34.9Very low58 Ų58133.2 Ų133.260%0.59880%0.799SS**  trans158.3146173.700000111.4V438V438-G440 PolarHBondContact O-N 3.15Å
441W27.2Very low34.7Very low255 Ų255132.5 Ų132.597%0.96680%0.795SS**  cis-161.2179.5-1.9-126.4-4.1000110.6G443W441-G443 PolarHBondContact O-N 2.53Å
442Y39.4Very low35.6Very low196 Ų196133.4 Ų133.477%0.76980%0.804SS**  trans-50.4122.7169.2-91.1-85.1000112.9K444Y442-K444 HydrophobicContact CD1-CD 4.22Å; Y442-K444 VanDerWaalsContact CD1-CE 3.44Å; Y442-K444 HydrophobicContact CD1-CG 3.69Å; Y442-K444 HydrophobicContact CE1-CG 4.42Å; Y442-K444 HydrophobicContact CG-CG 4.45Å
443G35.7Very low35.9Very low81 Ų81133.3 Ų133.384%0.83580%0.8SS**  trans-11596.8157.300000109.1W441W441-G443 PolarHBondContact O-N 2.53Å
444K30Very low36Very low157 Ų157131 Ų13168%0.68379%0.794SS**  trans-84.5143.5-168.8-67.9-174.7177.5-172.80113.9Y442Y442-K444 HydrophobicContact CD1-CD 4.22Å; Y442-K444 VanDerWaalsContact CD1-CE 3.44Å; Y442-K444 HydrophobicContact CD1-CG 3.69Å; Y442-K444 HydrophobicContact CE1-CG 4.42Å; Y442-K444 HydrophobicContact CG-CG 4.45Å
445N40.4Very low36.2Very low166 Ų166131.6 Ų131.689%0.88880%0.801SS**  trans20126.2146.1-53.725.3000119.6
446G34.2Very low36.5Very low83 Ų83133.1 Ų133.186%0.85680%0.802SS**  trans167.3131.7155.900000109.9
447A38.8Very low36.1Very low90 Ų90131.4 Ų131.474%0.74480%0.795SS**  cis-112.9150.24.700000109.8
448Q34.2Very low36.2Very low196 Ų196131.7 Ų131.792%0.91680%0.797SS**  61.2113.353.2-177.6-172.3-2.800112.2
449G33.6Very low37Very low63 Ų63134.2 Ų134.265%0.64980%0.8SS**  cis159.3-161.4-2.600000111.7
450Q32.3Very low36.4Very low193 Ų193129.8 Ų129.890%0.90279%0.794SS**  trans80.8151.5-174.4-56.1-172.8-11.100115.4
451P37.3Very low36.5Very low106 Ų106130.3 Ų130.369%0.68880%0.8SS**  cis-129.7167.1-39.736.8-23.3000112.1
452G49.6Very low37.2Very low79 Ų79127.9 Ų127.981%0.81480%0.799SS**  trans-75.7143.7160.900000110.3
453V39.6Very low36.9Very low119 Ų119130 Ų13072%0.72181%0.806SS**  trans-136.1121.5166.7-106.60000108.1
454D33.3Very low37Very low144 Ų144129 Ų12977%0.7779%0.794SS**  trans30.3128.6142.8-48.8-25.2000119.3D456D454-D456 PolarHBondContact O-N 3.22Å
455G43.5Very low37.3Very low84 Ų84129.7 Ų129.787%0.86681%0.805SS**  trans-79.1114.9169.600000111
456D38.5Very low37.3Very low151 Ų151127.9 Ų127.981%0.80780%0.802SS**PPolyproline II helixtrans-78.9160.8178.9-89.9-39.1000113.3D454D454-D456 PolarHBondContact O-N 3.22Å
457P36.4Very low37.3Very low118 Ų118127 Ų12777%0.76679%0.794SS**PPolyproline II helixtrans-87.6172.4-148.1-15.233.2000116.8
458G31.4Very low37.5Very low70 Ų70131 Ų13172%0.72280%0.802SS**PPolyproline II helixtrans-64.8162.7173.100000114.7
459Q44.5Very low37.5Very low190 Ų190129.5 Ų129.589%0.88880%0.801SS**PPolyproline II helixtrans-57135.9-170.3-62.7174.8-800115.2
460P34.1Very low37.4Very low126 Ų126129.6 Ų129.682%0.81880%0.801SS**PPolyproline II helixtrans-77.6139.8141.7-10.228.5000110
461G32.5Very low37.4Very low70 Ų70129.9 Ų129.972%0.72280%0.8SS**  trans-78.9-173-175.500000115.8
462Q41.9Very low37.2Very low203 Ų203128.2 Ų128.295%0.94980%0.801SS**  trans-51.2144.7-178.8-63.3173.1-5.900113.6
463R33.7Very low36.5Very low242 Ų242131.8 Ų131.891%0.91380%0.797SS**  trans-115.7122151.6-174177.3-63-153.2-0.4107.2
464G37.6Very low36.2Very low58 Ų58132.8 Ų132.860%0.59880%0.797SS**  trans-68.5176.9177.700000112.8
465L35.4Very low36.4Very low173 Ų173129 Ų12991%0.90679%0.792SS**SBendtrans-53.8135.9163.9-69.1168.4000109G467L465-G467 PolarHBondContact O-N 3.46Å
466P40.5Very low36Very low127 Ų127133.6 Ų133.683%0.82579%0.791SS**PPolyproline II helixtrans-57.3134.1176.9-24.534.5000111.4
467G35.7Very low36Very low66 Ų66133.9 Ų133.968%0.6879%0.79SS**PPolyproline II helixtrans-79.7160.1170.300000112L465 D469L465-G467 PolarHBondContact O-N 3.46Å; G467-D469 PolarHBondContact O-N 2.85Å
468D43Very low36Very low173 Ų173131.6 Ų131.693%0.92579%0.789SS**  trans-73.1105.8171.9-79.1-55.9000111.5
469D32.6Very low36.1Very low165 Ų165136.9 Ų136.988%0.88279%0.794SS**  trans-138.9148.7160.6-80.9-53.9000107.1G467G467-D469 PolarHBondContact O-N 2.85Å
470G33Very low35.5Very low64 Ų64134.1 Ų134.166%0.6679%0.79SS**  cis167.2111.80.800000110.3
471F30.9Very low35.7Very low200 Ų200131.6 Ų131.688%0.87779%0.787SS**  trans19.6116162.7-70.3-92.3000122.3
472G33Very low35.9Very low70 Ų70135 Ų13572%0.72279%0.794SS**  82.8178.7122.800000120.4
473H34.4Very low35.5Very low154 Ų154134.2 Ų134.271%0.71379%0.79SS**  cis-167.4149.7-17.5-116.3-64.9000111.5
474I34.7Very low35.7Very low141 Ų141125.9 Ų125.972%0.72378%0.779SS**  trans70.9147.1152.9-62.9163.2000116.8
475G36.2Very low35.8Very low64 Ų64131.5 Ų131.566%0.6680%0.795SS**  cis170.4-151.8-7.200000115.2
476E35.5Very low36.1Very low181 Ų181134 Ų13485%0.84679%0.792SS**  trans74.7140.8-179.3-56.5-145.9125.200119.9
477I38.9Very low36Very low156 Ų156130.9 Ų130.980%0.878%0.783SS**  cis-166.8144-41.3-114.4161.9000111.5
478G36.6Very low36.5Very low71 Ų71135.3 Ų135.373%0.73279%0.789SS**  trans70163.7164.400000117.9
479E33.1Very low36.5Very low181 Ų181135.2 Ų135.285%0.84678%0.78SS**  cis-171.5158.7-9.7-107.2-148.3-74.600107.3
480V33.1Very low37.1Very low132 Ų132130.1 Ų130.180%0.877%0.767SS**  cis-168.3154.5-27.3109.30000107.7
481G37.8Very low37.3Very low73 Ų73136.8 Ų136.875%0.75378%0.781SS**  trans177.5132.9175.700000117.3
482V37.2Very low38.2Very low142 Ų142131.1 Ų131.186%0.86177%0.766SS**  trans-83.1168.4-177.8-60.80000112.9
483E33.4Very low38.9Very low186 Ų186131.4 Ų131.487%0.86977%0.769SS**  cis-160.2146.117-158170.6-145.800112.9
484G36.2Very low39.2Very low67 Ų67133.7 Ų133.769%0.69178%0.78SS**  trans75161.8165.700000117.2
485L40.1Very low39.7Very low175 Ų175135.6 Ų135.692%0.91679%0.786SS**  cis-161159.3-12.7-79.2-177.9000105.9
486R41.8Very low40.1Very low227 Ų227135.7 Ų135.786%0.85779%0.787SS**  cis-156.9152.6-11.2159.9-176.9168.4-143.8-7.3106.5
487G38.3Very low40.6Very low61 Ų61135 Ų13563%0.62979%0.789SS**  trans-90.1158.9-17900000118.2
488I47Very low41.4Very low159 Ų159132.8 Ų132.882%0.81579%0.785SS**  trans-124.2115.2157.452.3-179.9000105.2
489K42.9Very low41.6Very low170 Ų170132.7 Ų132.774%0.73978%0.784SS**  55.5110.780.9-153.4-144.9168.3-164.90112.4S492K489-S492 WeakPolarHBondContact CE-OG 3.38Å; K489-S492 PolarHBondContact NZ-OG 2.84Å
490G44.4Very low41.9Very low58 Ų58133.6 Ų133.660%0.59879%0.788SS**  trans-71.3159.3165.700000111.6
491E38.8Very low42.2Very low205 Ų205136.3 Ų136.396%0.95879%0.789SS**  trans-68.9154.3176.6-68.4177.5145.400110.3
492S48.3Very low42Very low80 Ų80136.4 Ų136.456%0.55979%0.791SS**  trans-113.7149.2-169.8-54.70000108.4K489K489-S492 WeakPolarHBondContact CE-OG 3.38Å; K489-S492 PolarHBondContact NZ-OG 2.84Å
493G47.5Very low42.2Very low76 Ų76139.2 Ų139.278%0.78479%0.792SS**PPolyproline II helixtrans-55.4153.1174.900000111.6
494E41.7Very low42.3Very low203 Ų203134.2 Ų134.295%0.94979%0.79SS**PPolyproline II helixtrans-61.1140-172.4-62.8-174.9135.700111.9
495E45.4Very low42.3Very low180 Ų180134.4 Ų134.484%0.84179%0.792SS**PPolyproline II helixtrans-86.3117.5-176.2-172.6170.517400108.7
496G44.8Very low42.3Very low67 Ų67134 Ų13469%0.69179%0.791SS**PPolyproline II helixtrans-63142.7-17700000113.1
497D45.2Very low42.1Very low165 Ų165127.7 Ų127.788%0.88278%0.782SS**PPolyproline II helixtrans-53125.8-170-79.1-57000113.8G499D497-G499 PolarHBondContact O-N 3.32Å
498P56.8Low42.4Very low110 Ų110132 Ų13271%0.71479%0.79SS**  trans-66.4115.9179.8-23.634.4000113.2E500P498-E500 PolarHBondContact O-N 3.09Å
499G40.9Very low42Very low70 Ų70131.7 Ų131.772%0.72280%0.796SS**  trans-58.9123.7173.500000112.9D497D497-G499 PolarHBondContact O-N 3.32Å
500E39Very low41.9Very low199 Ų199126.8 Ų126.893%0.9379%0.793SS**  trans-65.6144.7-178.6-70.7-152.4126.700113.2P498P498-E500 PolarHBondContact O-N 3.09Å
501K39.1Very low41.8Very low189 Ų189130.5 Ų130.582%0.82281%0.806SS**  trans-106.3109.8-179.5-70.5172.8-178.2165.70110.6
502G33.5Very low42.3Very low76 Ų76128 Ų12878%0.78481%0.805SS**  trans-67.3144.7176.300000114
503F40.5Very low41.8Very low201 Ų201127.2 Ų127.288%0.88281%0.809SS**  trans-143.7122.2163.7-87-82000109.7
504G37Very low41.5Very low81 Ų81128.8 Ų128.884%0.83581%0.806SS**  trans-86.6175.5165.500000112.1
505G35.5Very low41.7Very low71 Ų71130 Ų13073%0.73280%0.802SS**  cis-179.4-153.83.500000111.5
506D39.9Very low41.7Very low165 Ų165124.4 Ų124.488%0.88279%0.793SS**  trans67.5137.4-174.6-71.5-30.6000116.1
507S38.5Very low41.7Very low96 Ų96129.7 Ų129.767%0.67180%0.799SS**  cis-142.9153.727.2-49.20000114.8
508N42.8Very low42.1Very low150 Ų150127.2 Ų127.280%0.80279%0.792SS**  trans86.790.3160.9-50.4-43.1000119.7
509V40.3Very low41.8Very low154 Ų154125.2 Ų125.293%0.93379%0.792SS**  13.9135.2127.8-169.30000117.3
510G39.7Very low42.1Very low66 Ų66129.7 Ų129.768%0.6880%0.799SS**  cis161.7168.58.400000108.3
511P43.2Very low42.6Very low136 Ų136128.3 Ų128.388%0.88380%0.798SS**  cis-130.8-15740.342.1-25.1000114.1
512V49.7Very low43.1Very low153 Ų153122.8 Ų122.893%0.92780%0.795SS**  trans-130.7141.2-168.7173.40000113
513G36.7Very low43.6Very low63 Ų63124.8 Ų124.865%0.64980%0.797SS**  trans156.4160.1159.300000112.8
514P40.9Very low44Very low110 Ų110123.4 Ų123.471%0.71480%0.799SS**  cis-100.3-164.8-7.539.6-32.3000112.7
515R46.8Very low44.5Very low228 Ų228122.9 Ų122.986%0.8679%0.793SS**PPolyproline II helixtrans-90.1133.4179.6165.1180176.3-173.60.3110.1
516G45.9Very low44.8Very low63 Ų63127.5 Ų127.565%0.64980%0.796SS**PPolyproline II helixtrans-68.6158.9171.500000113.1
517E43.2Very low45.5Very low178 Ų178125.8 Ų125.883%0.83279%0.794SS**PPolyproline II helixtrans-66.6155.1-177-62.1-179131.800111.9
518P54.8Low46Very low113 Ų113124.3 Ų124.373%0.73479%0.793SS**PPolyproline II helixtrans-59.8136.6166.3-15.730.7000109.5
519G49.5Very low46Very low68 Ų68127.3 Ų127.370%0.70180%0.799SS**PPolyproline II helixtrans-71.6156.4170.600000111.3
520D48.6Very low46.2Very low164 Ų164129 Ų12988%0.87780%0.797SS**PPolyproline II helixtrans-57.6149.8179.2-52.1-77.2000112.6G522D520-G522 PolarHBondContact O-N 2.95Å
521D48.3Very low46.4Very low169 Ų169129.1 Ų129.190%0.90480%0.798SS**PPolyproline II helixtrans-63.9118.3175.1-77.3-45.1000109.9
522G49Very low46.1Very low74 Ų74132 Ų13276%0.76380%0.799SS**PPolyproline II helixtrans-66.5141.917900000112.2D520D520-G522 PolarHBondContact O-N 2.95Å
523S45Very low46.3Very low117 Ų117131 Ų13182%0.81880%0.796SS**PPolyproline II helixtrans-60.4145179.544.80000113.2G525S523-G525 PolarHBondContact O-N 2.82Å
524D48.6Very low46.9Very low172 Ų172131 Ų13192%0.9280%0.796SS**PPolyproline II helixtrans-58.1118.9173.3-82.3-42.7000110.5
525G46.9Very low47.3Very low70 Ų70131.7 Ų131.772%0.72280%0.801SS**PPolyproline II helixtrans-80.2143.6-175.700000113.8S523S523-G525 PolarHBondContact O-N 2.82Å
526E41.9Very low47.5Very low169 Ų169127.3 Ų127.379%0.7980%0.802SS**PPolyproline II helixtrans-59.1137.1178.7-68-160.4134.300113.2G528E526-G528 PolarHBondContact O-N 3.13Å
527P55.8Low47.6Very low129 Ų129127.3 Ų127.384%0.83880%0.802SS**  trans-63.8114.9176.7-25.135.6000113.9
528G48.5Very low47.5Very low64 Ų64125.5 Ų125.566%0.6681%0.806SS**PPolyproline II helixtrans-62135.7-178.700000115.2E526E526-G528 PolarHBondContact O-N 3.13Å
529K43.4Very low46.6Very low213 Ų213130.2 Ų130.293%0.92682%0.815SS**PPolyproline II helixtrans-58.9134.7177.4-64.9174.6-177.4170.80111.2
530H42.8Very low46Very low190 Ų190130.4 Ų130.488%0.8882%0.816SS**PPolyproline II helixtrans-69.1130.5-177.8-67.61.9000112.4
531G44.5Very low45.4Very low69 Ų69131.7 Ų131.771%0.71182%0.817SS**PPolyproline II helixtrans-85.4156.2173.100000113.5
532E37.9Very low45.2Very low195 Ų195128.6 Ų128.691%0.91181%0.806SS**PPolyproline II helixtrans-67.4135.9-179.4-63.7-166.1129.800112.9G534E532-G534 PolarHBondContact O-N 3.37Å
533P53.3Low44.6Very low132 Ų132132.3 Ų132.386%0.85781%0.808SS**  trans-66.8112.2177.9-23.534.9000113.8
534G50.2Low44.3Very low64 Ų64132.2 Ų132.266%0.6680%0.802SS**PPolyproline II helixtrans-65.3147.7174.700000113.9E532E532-G534 PolarHBondContact O-N 3.37Å
535P47.6Very low44.1Very low125 Ų125130.5 Ų130.581%0.81280%0.798SS**PPolyproline II helixtrans-69.2134.3-174.926.5-34.4000113.1G537P535-G537 PolarHBondContact O-N 3.2Å
536P52.8Low43.5Very low136 Ų136132.1 Ų132.188%0.88380%0.797SS**PPolyproline II helixtrans-61.8132-178.4-26.735.5000115.1
537G47.1Very low43.7Very low63 Ų63129.2 Ų129.265%0.64979%0.793SS**PPolyproline II helixtrans-88171.5-175.300000116.8P535P535-G537 PolarHBondContact O-N 3.2Å
538P40.6Very low43Very low139 Ų139130.2 Ų130.290%0.90379%0.79SS**PPolyproline II helixtrans-77.5151.6178.432.1-35.1000113.6
539K35.7Very low42.5Very low213 Ų213131.8 Ų131.893%0.92679%0.79SS**  trans-106.5153.1-174.8-87.1-176.9171.8177.80114.7
540G38.2Very low42.4Very low71 Ų71130.6 Ų130.673%0.73279%0.785SS**  trans107.414915400000115.6
541E36Very low42.3Very low191 Ų191128.2 Ų128.289%0.89378%0.779SS**  cis-153.3172.6-4-102.7-156.9165.600110.7
542P42.9Very low41.9Very low104 Ų104128.2 Ų128.268%0.67578%0.778SS**  trans-111.2-138.9-148.844.5-38.6000115.5
543L37.3Very low41.9Very low153 Ų153127.2 Ų127.280%0.80178%0.779SS**  trans93.7141176-50.2174.8000114.8
544T39.2Very low41.1Very low114 Ų114125.9 Ų125.970%0.69978%0.779SS**  cis-166.8139.4-0.818.30000114.2
545V43.7Very low40.3Very low137 Ų137126.1 Ų126.183%0.8378%0.782SS**  trans79.1136.1132.9171.30000122.8
546C34.3Very low39.8Very low104 Ų104128 Ų12870%0.70378%0.784SS**  trans-107.1160.5171.8170.30000111.2
547P46.3Very low38.9Very low107 Ų107131.5 Ų131.570%0.69578%0.78SS**  -152.1128.312933.8-14.4000119.2
548L41.8Very low38.3Very low151 Ų151131.8 Ų131.879%0.79178%0.783SS**  52.2146119.6-49.8173.8000121
549C36.2Very low38.1Very low97 Ų97131.9 Ų131.966%0.65577%0.771SS**  cis-173.4159.5-9.1-115.70000111.2
550K42.3Very low38.2Very low188 Ų188130.2 Ų130.282%0.81777%0.77SS**  trans178.2109.8133.5-100.7164.6179.2-168.40111.1
551D39.8Very low38.2Very low140 Ų140129.7 Ų129.775%0.74977%0.765SS**  83.6120.778-64.7-0.5000111
552G37Very low38.8Very low68 Ų68128.7 Ų128.770%0.70177%0.766SS**  cis-145.9-169.1-1.500000111
553D36.6Very low38.8Very low175 Ų175129.9 Ų129.994%0.93677%0.774SS**  cis-141.8175.818.8-79.2-42.3000113.7
554A36.6Very low38.8Very low103 Ų103126.2 Ų126.285%0.85177%0.772SS**  trans-101.6-178.6179.100000112.3
555G33.8Very low39Very low69 Ų69129.5 Ų129.571%0.71178%0.78SS**  cis-176.8-175.24.400000107.3
556L38Very low38.6Very low165 Ų165131.2 Ų131.286%0.86478%0.784SS**  cis-147.5163.911-65.1171.7000106.7
557R32.8Very low38.9Very low210 Ų210129.5 Ų129.579%0.79279%0.785SS**  cis84.9105.530.6-166.8178.2-179.1147.811.3117.8E559R557-E559 IonicContact CZ-OE1 3.59Å; R557-E559 VanDerWaalsContact CZ-OE1 3.31Å; R557-E559 IonicContact NE-OE1 2.79Å; R557-E559 PolarHBondContact NE-OE1 3.04Å; R557-E559 IonicContact NH2-OE1 2.94Å; R557-E559 PolarHBondContact NH2-OE1 3.07Å
558G35.7Very low38.2Very low69 Ų69132.3 Ų132.371%0.71179%0.788SS**  trans86.5169.6140.900000118.8
559E36.7Very low37.8Very low140 Ų140133.7 Ų133.765%0.65479%0.788SS**  cis-169.7160.9-8.5-107156.8-141.100108.2R557R557-E559 IonicContact CZ-OE1 3.59Å; R557-E559 VanDerWaalsContact CZ-OE1 3.31Å; R557-E559 IonicContact NE-OE1 2.79Å; R557-E559 PolarHBondContact NE-OE1 3.04Å; R557-E559 IonicContact NH2-OE1 2.94Å; R557-E559 PolarHBondContact NH2-OE1 3.07Å
560I37.3Very low38.1Very low179 Ų179132.7 Ų132.792%0.91879%0.794SS**  trans92127.7178.1-52.8161.9000116.5
561G37.2Very low37.9Very low60 Ų60126.7 Ų126.762%0.61979%0.786SS**  cis155.7128.6-9.100000115.1
562D48.6Very low37.6Very low170 Ų170128.4 Ų128.491%0.90980%0.795SS**  trans-91.1148.4-166.5-54.5-69000117.7
563P43.3Very low37.6Very low129 Ų129129 Ų12984%0.83880%0.801SS**  trans-140.3141.9146.636.4-21.6000113.2
564G37.7Very low37.5Very low75 Ų75129.3 Ų129.377%0.77380%0.799SS**  cis177.2166.7-1.300000110.4
565E44.2Very low38Very low184 Ų184129.8 Ų129.886%0.8679%0.794SS**  trans-72.2156.1-167.8-57.6169.5111.600115.9
566N35.2Very low38.1Very low172 Ų172130 Ų13092%0.9280%0.796SS**  trans159.7139.2136-89.4-72.7000109.7
567G39.2Very low38.1Very low69 Ų69129.5 Ų129.571%0.71179%0.794SS**  cis-171.7-171.31.500000113.4
568E32.4Very low38.1Very low166 Ų166130 Ų13078%0.77680%0.796SS**  trans-65.1156.7-168.6-43.2172112.500116.2
569K32.9Very low38.2Very low179 Ų179129 Ų12978%0.77879%0.786SS**  149.7137.889.7-149.3175.5-155.785.50113.8
570G42.1Very low38.3Very low76 Ų76128 Ų12878%0.78479%0.785SS**  trans159.968.3163.900000118
571G38.8Very low38.4Very low63 Ų63122.9 Ų122.965%0.64976%0.762SS**  trans-84-178.2157.100000111.5
572D33.7Very low38.5Very low175 Ų175122.9 Ų122.994%0.93676%0.762SS**  cis-151.6166.52.2-68.1-63.5000108.6
573G36.9Very low38.1Very low81 Ų81126.9 Ų126.984%0.83577%0.765SS**  trans-175.242.6-176.400000119.6
574M34.7Very low37.8Very low181 Ų181127.8 Ų127.889%0.89276%0.762SS**  trans-83.9168.3164.6-65.1179.279.100111.2
575P46.1Very low37.9Very low114 Ų114127 Ų12774%0.7475%0.754SS**  cis-128.8-162.7-4037.7-21.1000110.5
576G37.8Very low37.5Very low74 Ų74127.9 Ų127.976%0.76376%0.758SS**  trans-173.7100.6165.900000112.9
577D36.6Very low37.6Very low153 Ų153126.8 Ų126.882%0.81875%0.752SS**  trans-80.1156.2-178.2-58.2-59.3000113.9
578R32.5Very low37.3Very low221 Ų221126.2 Ų126.283%0.83475%0.746SS**  trans84.9126.9151.8-159.1-179-160.3142.912.6119.6D580R578-D580 IonicContact CZ-OD2 3.31Å; R578-D580 IonicContact NE-OD2 3.92Å; R578-D580 PolarHBondContact NE-OD2 2.03Å; R578-D580 IonicContact NH2-OD2 2.91Å
579G39Very low37.7Very low48 Ų48127.2 Ų127.250%0.49576%0.756SS.*  trans-168.897.1160.900000110.4T581G579-T581 PolarHBondContact O-N 2.87Å
580D38.5Very low37.8Very low119 Ų119126.8 Ų126.864%0.63676%0.76SS**  trans-79.395.2-177.3-55-66.1000110.6R578R578-D580 IonicContact CZ-OD2 3.31Å; R578-D580 IonicContact NE-OD2 3.92Å; R578-D580 PolarHBondContact NE-OD2 2.03Å; R578-D580 IonicContact NH2-OD2 2.91Å
581T38.8Very low37.4Very low71 Ų71126.1 Ų126.144%0.43675%0.753SS.*  trans-87.4146.3179.6-62.90000113.2G579 P1355 E1356G579-T581 PolarHBondContact O-N 2.87Å; T581-P1355 VanDerWaalsContact O-CB 3.29Å; T581-P1355 WeakPolarHBondContact O-CB 3.45Å; T581-P1355 WeakPolarHBondContact O-CG 3.34Å; T581-E1356 WeakPolarHBondContact CB-O 3.33Å; T581-E1356 WeakPolarHBondContact CG2-O 3.3Å; T581-E1356 PolarHBondContact OG1-O 2.63Å
582G40.5Very low37.7Very low61 Ų61131.6 Ų131.663%0.62977%0.767SS**  trans-76.1174.9-171.600000116.1L584G582-L584 PolarHBondContact O-N 2.89Å
583R38.6Very low37.8Very low254 Ų254126.5 Ų126.596%0.95874%0.743SS**  trans-49.9122.2174.3-67.4175.7172.1-172-8.1112.7
584L37.9Very low37.6Very low148 Ų148124.7 Ų124.778%0.77573%0.725SS**  trans-81.5156.9132.8-7772.5000107G582G582-L584 PolarHBondContact O-N 2.89Å
585G39.9Very low37.7Very low59 Ų59123 Ų12361%0.60873%0.725SS**  cis150.4118.5-1.600000108.7D587G585-D587 PolarHBondContact O-N 2.62Å
586E36.5Very low36.9Very low202 Ų202124.8 Ų124.894%0.94472%0.721SS**  trans-77.877.9172.5-71.1-179.8127.400109.6
587D36.1Very low36.7Very low148 Ų148124.7 Ų124.779%0.79172%0.72SS**  trans-78.4122.9163.3-69.6-29.3000107.9G585G585-D587 PolarHBondContact O-N 2.62Å
588G34.3Very low36.5Very low58 Ų58123.9 Ų123.960%0.59871%0.712SS**  cis130.2109.67.100000109I590G588-I590 PolarHBondContact O-N 2.99Å
589L40.4Very low36.6Very low187 Ų187122 Ų12298%0.97971%0.71SS**  trans-59.9107.8-170.8-77.9164.7000113.2
590I34.4Very low36.3Very low169 Ų169123 Ų12387%0.86772%0.72SS**  trans-135.7128.9162.3-53.3178.5000107.1G588G588-I590 PolarHBondContact O-N 2.99Å
591G33.5Very low36.4Very low62 Ų62125.3 Ų125.364%0.63972%0.72SS**  cis160.4101-2.800000110.6
592L45.3Very low36Very low179 Ų179128.3 Ų128.394%0.93773%0.731SS**  trans-61.2136.4178.2-64.5168.5000111.2
593P35.9Very low35.8Very low67 Ų67128.1 Ų128.144%0.43573%0.73SS.*  -151.3151.8109.236.2-19.8000115.7D192 G193D192-P593 HydrophobicContact CB-CB 4.23Å; D192-P593 HydrophobicContact CB-CG 4.06Å; G193-P593 VanDerWaalsContact CA-O 3.31Å; G193-P593 WeakPolarHBondContact CA-O 3.36Å; G193-P593 PolarHBondContact N-O 2.79Å
594G32.5Very low35.8Very low43 Ų43123.5 Ų123.544%0.44372%0.719SS.*  cis150.3130.3-12.100000116.2
595T35.7Very low35.5Very low146 Ų146124.2 Ų124.290%0.89672%0.724SS**  trans71.7154156.682.90000117.8
596K29.3Very low35.2Very low151 Ų151124.6 Ų124.666%0.65773%0.727SS**  cis-155.4132.6-5.6-142.1-167.6179.6-159.60112.7E598K596-E598 HydrophobicContact CD-CG 4.27Å; K596-E598 VanDerWaalsContact CE-CD 3.41Å; K596-E598 WeakPolarHBondContact CE-OE1 3.44Å; K596-E598 WeakPolarHBondContact CE-OE2 3.19Å; K596-E598 HydrophobicContact CG-CG 4.43Å; K596-E598 IonicContact NZ-OE1 3.49Å; K596-E598 PolarHBondContact NZ-OE1 3.49Å; K596-E598 IonicContact NZ-OE2 3.67Å; K596-E598 PolarHBondContact NZ-OE2 3.36Å
597G33.6Very low35.4Very low73 Ų73125.9 Ų125.975%0.75373%0.73SS**  74.4171.3113.100000121.8
598E34.4Very low35.4Very low136 Ų136124.2 Ų124.264%0.63673%0.73SS**  cis-159.2165.4-8-54.8-174.2-103.300107Y168 K596Y168-E598 PolarHBondContact OH-O 2.8Å; K596-E598 HydrophobicContact CD-CG 4.27Å; K596-E598 VanDerWaalsContact CE-CD 3.41Å; K596-E598 WeakPolarHBondContact CE-OE1 3.44Å; K596-E598 WeakPolarHBondContact CE-OE2 3.19Å; K596-E598 HydrophobicContact CG-CG 4.43Å; K596-E598 IonicContact NZ-OE1 3.49Å; K596-E598 PolarHBondContact NZ-OE1 3.49Å; K596-E598 IonicContact NZ-OE2 3.67Å; K596-E598 PolarHBondContact NZ-OE2 3.36Å
599K32.7Very low35.6Very low182 Ų182124.9 Ų124.979%0.79174%0.737SS**  cis-170.6145.3-36.1175.2175.3178179.10107.4Y168Y168-K599 PolarHBondContact OH-N 3.49Å; Y168-K599 PolarHBondContact OH-O 3.45Å
600G34.4Very low35.6Very low69 Ų69123.6 Ų123.671%0.71173%0.731SS**  trans161.6151.416300000116.4
601R39.9Very low36.1Very low167 Ų167121.5 Ų121.563%0.6373%0.728SS**  cis-167.6119.9-3.1-172.8179.3-167.1-105.13.6112.5P165P165-R601 HydrophobicContact CB-CG 4.08Å; P165-R601 HydrophobicContact CG-CG 4.04Å; P165-R601 PolarHBondContact O-NE 2.84Å; P165-R601 PolarHBondContact O-NH2 3.16Å
602I31.2Very low36.4Very low133 Ų133121.9 Ų121.968%0.68273%0.733SS**  trans70.8143.5164.7-62.1166.8000115.7P165P165-I602 HydrophobicContact CG-CD1 4.16Å; P165-I602 HydrophobicContact CG-CG1 4.09Å
603G35.3Very low36.1Very low58 Ų58120.7 Ų120.760%0.59873%0.727SS**  cis-169.9-175.80.800000114
604E38.6Very low36.3Very low157 Ų157123.4 Ų123.473%0.73475%0.745SS**  trans-68.4171.2174.3-6492173.400113.1
605D32.2Very low36.5Very low163 Ų163124.7 Ų124.787%0.87276%0.758SS**  cis-117.1-170.811.5-49.1-64.9000112.4
606G33.9Very low36.3Very low66 Ų66122.8 Ų122.868%0.6874%0.739SS**  cis-174.7178.44.400000111S608G606-S608 PolarHBondContact O-N 2.71Å
607F38.9Very low36.6Very low230 Ų230120.5 Ų120.5100%1.00974%0.742SS**  trans-69.8117.3-174.6-80.9-95.3000113.7
608S37.8Very low36.4Very low112 Ų112119.1 Ų119.178%0.78372%0.723SS**  trans-104.2123.9161.557.70000109.6G606G606-S608 PolarHBondContact O-N 2.71Å
609G37.1Very low36.2Very low72 Ų72117.5 Ų117.574%0.74272%0.722SS**PPolyproline II helixtrans-69.3166.2-178.300000114.3
610D42Very low36.1Very low160 Ų160110.4 Ų110.486%0.85669%0.694SS**PPolyproline II helixtrans-58.3142.6176-64.5-70.4000111.7G612D610-G612 PolarHBondContact O-N 2.97Å
611P44.7Very low36.2Very low125 Ų125110.6 Ų110.681%0.81269%0.685SS**PPolyproline II helixtrans-60.9121177.9-22.133.4000111.3
612G38.7Very low35.7Very low71 Ų71112.2 Ų112.273%0.73269%0.691SS**PPolyproline II helixtrans-60.5139.4176.900000112.2D610D610-G612 PolarHBondContact O-N 2.97Å
613D39.9Very low35.8Very low153 Ų153111.8 Ų111.882%0.81869%0.694SS**PPolyproline II helixtrans-54.5140.2-178.4-71.5-63.1000112.4G615D613-G615 PolarHBondContact O-N 3.13Å
614P39.1Very low35.6Very low125 Ų125114.9 Ų114.981%0.81270%0.701SS**  trans-58.8111.3175.8-24.534.7000111.8E616P614-E616 PolarHBondContact O-N 3.06Å
615G37.3Very low35.3Very low69 Ų69114.5 Ų114.571%0.71170%0.699SS**  trans-56.1128.5-173.800000113.7D613 S617D613-G615 PolarHBondContact O-N 3.13Å; G615-S617 PolarHBondContact O-N 2.89Å
616E32.2Very low35.4Very low107 Ų107113.2 Ų113.250%0.569%0.693SS.*  trans-78.792.9-175.2-163.7172.9-148.600111.8P614 A618 S1730 D1731 K1733P614-E616 PolarHBondContact O-N 3.06Å; E616-A618 PolarHBondContact O-N 2.94Å; E616-S1730 PolarHBondContact O-OG 2.83Å; E616-D1731 WeakPolarHBondContact OE2-CA 3.34Å; E616-D1731 WeakPolarHBondContact OE2-CB 3.21Å; E616-K1733 IonicContact OE1-NZ 2.97Å; E616-K1733 PolarHBondContact OE1-NZ 3.38Å; E616-K1733 IonicContact OE2-NZ 2.7Å; E616-K1733 PolarHBondContact OE2-NZ 2.87Å
617S33.8Very low35.6Very low102 Ų102114.9 Ų114.971%0.71369%0.689SS**PPolyproline II helixtrans-51.8120.1-171.4-64.70000115.2G615 V619G615-S617 PolarHBondContact O-N 2.89Å; S617-V619 PolarHBondContact O-N 3.18Å
618A29.8Very low35.4Very low44 Ų44110.5 Ų110.536%0.36468%0.675SS.*PPolyproline II helixtrans-63.6117.7174.300000113E616E616-A618 PolarHBondContact O-N 2.94Å
619V31.8Very low35.4Very low102 Ų102109.9 Ų109.962%0.61867%0.671SS**PPolyproline II helixtrans-89.3118.8165.8-175.20000109.7S617S617-V619 PolarHBondContact O-N 3.18Å
620V30.5Very low35.3Very low33 Ų33109.3 Ų109.320%0.267%0.665CS.*  trans-130.5129.7170.5-173.10000106.6I236 I237I236-V620 WeakPolarHBondContact CB-O 3.29Å; I236-V620 HydrophobicContact CD1-CG1 4.25Å; I236-V620 VanDerWaalsContact CG1-C 3.49Å; I236-V620 HydrophobicContact CG1-CB 4.15Å; I236-V620 HydrophobicContact CG1-CG1 3.88Å; I236-V620 WeakPolarHBondContact CG1-O 3.28Å; I236-V620 WeakPolarHBondContact CG2-O 3.49Å; I237-V620 PolarHBondContact N-O 3.39Å
621S34.9Very low35.1Very low74 Ų74109 Ų10952%0.51766%0.663SS.*  trans-131.3114-175.5-51.20000114.6I237I237-S621 PolarHBondContact O-OG 2.64Å
622R29.9Very low34.7Very low200 Ų200112.2 Ų112.276%0.75567%0.667SS**  trans-141.1132.3154.5-64.9173.6158.7176.9-6.5108.5I236I236-R622 HydrophobicContact CD1-CB 3.6Å; I236-R622 HydrophobicContact CD1-CG 4.07Å; I236-R622 VanDerWaalsContact CD1-N 3.33Å; I236-R622 HydrophobicContact CG1-CB 4.48Å; I236-R622 VanDerWaalsContact CG1-N 3.25Å; I236-R622 VanDerWaalsContact CG2-O 3.26Å; I236-R622 WeakPolarHBondContact CG2-O 3.49Å
623V33Very low34.6Very low125 Ų125111.8 Ų111.876%0.75866%0.663SS**  trans-103131.9152.6-148.60000102.3
624V30.7Very low34.3Very low123 Ų123112 Ų11275%0.74566%0.664SS**  46.3129.466-143.30000108.4
625E33.5Very low34Very low148 Ų148115.2 Ų115.269%0.69267%0.668SS**  cis-138.1-176.941.7-79.5168.114900109.2V627E625-V627 HydrophobicContact CB-CG2 3.88Å; E625-V627 HydrophobicContact CG-CG2 3.84Å
626D34.4Very low33.8Very low136 Ų136115.2 Ų115.273%0.72767%0.669SS**  cis-113.8140.824.1-60.4-60.1000112.7
627V38Very low33.8Very low101 Ų101118.2 Ų118.261%0.61268%0.682SS**  71.413352.6-179.60000109.7E625E625-V627 HydrophobicContact CB-CG2 3.88Å; E625-V627 HydrophobicContact CG-CG2 3.84Å
628I35.4Very low33.9Very low139 Ų139121.9 Ų121.971%0.71369%0.688SS**  cis-120.3153.831-63.6164.5000110.3
629S36.7Very low34.1Very low99 Ų99122.8 Ų122.869%0.69270%0.702SS**  cis-139.8-162.2-2.2-130.40000107.8
630G36Very low34.1Very low60 Ų60123.7 Ų123.762%0.61971%0.713SS**  cis99.9132.910.600000113.2
631D36.2Very low34.3Very low152 Ų152130.3 Ų130.381%0.81375%0.745SS**  cis-156.61618.3-32.3-63.8000107.7
632E36.9Very low34.5Very low193 Ų193129.8 Ų129.890%0.90275%0.751SS**  cis-169.8144.6-21.3175.3169.2-112.700109.1
633G36.8Very low34.8Very low62 Ų62127.9 Ų127.964%0.63976%0.756SS**  trans80.4155.4166.200000119.7
634D33.3Very low35Very low158 Ų158129.7 Ų129.785%0.84576%0.76SS**  cis-157.8155-3.9-85.2-35.5000113.8
635E32.4Very low35.1Very low192 Ų192127.3 Ų127.390%0.89776%0.761SS**  trans32.1139.3153-57.4-168.9148.100126.1
636G33.5Very low35.3Very low70 Ų70127.5 Ų127.572%0.72277%0.766SS**  trans98.7146.1153.500000117.1
637H33.1Very low35.4Very low170 Ų170132 Ų13279%0.78777%0.773SS**  cis-153.3145.19.9-119-104.2000112.3
638E35.5Very low35.4Very low178 Ų178130.1 Ų130.183%0.83277%0.774SS**  trans62.6162.6134.4-148.6149.3-160.900121.9
639G33.8Very low35.5Very low64 Ų64131.6 Ų131.666%0.6678%0.783SS**  trans-130.5167.5-17100000114.9
640S32Very low35.4Very low120 Ų120136.5 Ų136.584%0.83980%0.795SS**  trans-24.7137.5178.756.20000120
641I35Very low35.4Very low172 Ų172137.1 Ų137.188%0.88280%0.802SS**  trans-121.6148.8141.7-67.3178.6000106.9
642G38.4Very low35.7Very low63 Ų63139 Ų13965%0.64981%0.806SS**  trans-107.5174.2179.200000114.6
643D36.1Very low35.7Very low161 Ų161136 Ų13686%0.86180%0.803SS**  trans-71.3-178.9-179.5-50-78.2000113
644I36.5Very low35.9Very low162 Ų162136.3 Ų136.383%0.83181%0.806SS**  cis-146.6155.624.7-61.7170.6000107.3
645G34.3Very low36.4Very low74 Ų74134.5 Ų134.576%0.76380%0.803SS**  cis-176.7-139.37.300000108.7
646D37.5Very low36.5Very low151 Ų151133.7 Ų133.781%0.80780%0.803SS**  cis-152.2-119.4-8.2-176.5-120.5000111
647R35.9Very low36.8Very low232 Ų232133.9 Ų133.988%0.87581%0.805SS**  trans-147.5149.3-149.1-165.8175.6-175.9168.21.3118
648G37.8Very low37.3Very low61 Ų61133.6 Ų133.663%0.62981%0.81SS**  trans121.1136.5167.100000113.5
649D37.2Very low37.4Very low170 Ų170134.7 Ų134.791%0.90982%0.815SS**  cis-143.5178.26.5-83.2-26.6000112.6
650E35.6Very low37.7Very low201 Ų201134.8 Ų134.894%0.93982%0.815SS**  trans-83.3167-157.7-51.3176.7129.400117.7
651G35.6Very low37.8Very low73 Ų73137 Ų13775%0.75382%0.817SS**  trans173.369.9166.100000117.3
652E42.7Very low37.9Very low193 Ų193139 Ų13990%0.90282%0.819SS**  trans-63150.6164.7-58.8-162.9137.600111.5
653P37.5Very low37.9Very low128 Ų128139.1 Ų139.183%0.83182%0.821SS**  -154.8148.792.137.3-18.3000117.7
654G41Very low37.8Very low70 Ų70140.2 Ų140.272%0.72282%0.821SS**  trans112.388.7135.500000119.2
655P43.6Very low37.8Very low119 Ų119140.1 Ų140.177%0.77382%0.817SS**  trans-83.3159.916535.1-35.2000113.1
656I34.9Very low37.8Very low175 Ų175139.2 Ų139.290%0.89781%0.808SS**  trans149.3129.7145.1-80.1158.4000110.3
657G39.7Very low37.6Very low75 Ų75137.3 Ų137.377%0.77380%0.802SS**  trans-17625179.800000118.1
658D43Very low37.7Very low164 Ų164133.6 Ų133.688%0.87780%0.8SS**  trans-71.8129.4-179.3-68.6-62.3000114.2
659E38.6Very low37.7Very low201 Ų201134.4 Ų134.494%0.93981%0.808SS**  trans-158.3144.8151.1-113.1-170.3-171.800110.7
660G39.9Very low37.4Very low65 Ų65135.2 Ų135.267%0.6781%0.806SS**  cis-177.7120.2-2.800000115.6
661L32.9Very low37.3Very low168 Ų168134.7 Ų134.788%0.8880%0.804SS**  trans26.2124.6141.2-62.8171.1000121.9
662K37.7Very low37.4Very low212 Ų212134.6 Ų134.692%0.92280%0.803SS**  -143.2127.9125.3-66.5-175.2-178.4153.80108.4
663G38.7Very low37.6Very low67 Ų67131.3 Ų131.369%0.69180%0.798SS**  cis92137.210.200000112
664Q33.1Very low37.6Very low184 Ų184133.9 Ų133.986%0.8680%0.803SS**  cis-139.2-171.6-1.2-64179.3-15.600107.5
665Q37.7Very low37.5Very low159 Ų159133.8 Ų133.874%0.74380%0.802SS**  cis-157.6160.818.2-153.7-179-32.200106.3
666G34.2Very low37.3Very low56 Ų56137.3 Ų137.358%0.57781%0.808SS**  56.4132.161.800000113
667T33.5Very low37.1Very low110 Ų110136.2 Ų136.268%0.67581%0.809SS**  cis-168.4157.724.846.80000109.8
668D36.6Very low36.9Very low155 Ų155135.7 Ų135.783%0.82980%0.804SS**  cis-168.2165.1-12.8-79.1-26.8000107.7
669G37.9Very low36.6Very low78 Ų78134 Ų13480%0.80480%0.795SS**  trans168.8147169.800000118.1
670E31Very low36.4Very low187 Ų187131.1 Ų131.187%0.87479%0.786SS**  trans-65.7166.8-178.9-55.6164.2153.900113
671Q32.7Very low36.2Very low189 Ų189131.5 Ų131.588%0.88379%0.79SS**  cis-172.6152.837.5-167.1175.139.400112.5
672G37.8Very low36.2Very low72 Ų72131.6 Ų131.674%0.74279%0.791SS**  trans110.9119.3154.200000119.6
673P47Very low36.2Very low124 Ų124129.8 Ų129.881%0.80579%0.791SS**  trans-124.2156.9175.240.7-29.2000116.1
674I37.6Very low35.9Very low182 Ų182130.2 Ų130.293%0.93380%0.796SS**  trans176.6145.9158.2-93.1149.3000105.1
675G39Very low35.8Very low68 Ų68130.2 Ų130.270%0.70180%0.796SS**  cis163.2136.9-2.900000108.8
676E39.8Very low35.6Very low193 Ų193128.7 Ų128.790%0.90280%0.798SS**  trans-98.2-163-164.7-60.3167.5143.300113.9
677V31.3Very low35.5Very low151 Ų151130 Ų13092%0.91581%0.811SS**  trans98.2130.3-176.5-178.70000113.4
678G35.1Very low35.3Very low64 Ų64132.7 Ų132.766%0.6682%0.816SS**  cis174.4178.9-3.300000111.8
679D35.7Very low34.9Very low128 Ų128131.5 Ų131.568%0.68481%0.809SS**  trans-89.5166.9-168.8-49.1-71000115.9P366P366-D679 HydrophobicContact CB-CB 4.18Å
680D36.4Very low34.6Very low142 Ų142130.7 Ų130.776%0.75980%0.802SS**  trans67140.8158.7-55.8-29.3000122.1P366P366-D680 WeakPolarHBondContact CG-OD2 3.04Å
681G35.6Very low34.7Very low72 Ų72126.1 Ų126.174%0.74278%0.782SS**  trans164122.6171.800000113.1
682D32.9Very low34.7Very low171 Ų171120.2 Ų120.291%0.91476%0.757SS**  trans-72.6179.5-175.7-56.9-81.5000115.6
683D37.2Very low34.6Very low173 Ų173121.7 Ų121.793%0.92575%0.751SS**  trans-51.4147.8-173.9-74.4-56.2000116.7
684G32.9Very low34.1Very low76 Ų76121.6 Ų121.678%0.78474%0.738SS**  trans-146.5109.717100000112.2
685E31.1Very low34.2Very low185 Ų185115.8 Ų115.886%0.86472%0.723SS**  trans-68142.3-173.4-63.1-175.2113.600114.8
686T31.6Very low33.9Very low127 Ų127116.8 Ų116.878%0.77971%0.71SS**  trans31.2121.4150.958.60000121
687G32Very low33.8Very low83 Ų83112.1 Ų112.186%0.85670%0.695SS**  trans-132.470.6163.900000113
688E29.2Very low33.9Very low166 Ų166107.3 Ų107.378%0.77668%0.676SS**  trans-70.2131.6176.7-60.3-172.9133.600113
689N28.8Very low33.8Very low130 Ų130112.5 Ų112.570%0.69568%0.683SS**  167.7135.2105.6-96.4-78.2000113.6
690G31.6Very low34.1Very low62 Ų62113 Ų11364%0.63969%0.685SS**  trans-177.264-177.800000113
691I34.4Very low34.1Very low90 Ų90108.9 Ų108.946%0.46268%0.676SS.*  trans-73.6-176.7-158.25.5173.1000116.6C51 V52 G53C51-I691 CarbonylContact C-O 3.44Å; V52-I691 CarbonylContact C-O 3.57Å; V52-I691 WeakPolarHBondContact CA-O 3Å; V52-I691 PolarHBondContact N-O 3.33Å; G53-I691 WeakPolarHBondContact CA-O 3.49Å; G53-I691 PolarHBondContact N-O 3.24Å
692D31.6Very low34.1Very low66 Ų66112.6 Ų112.635%0.35367%0.674SS.*  trans-66.5151.4-171.3-37.2-130.4000120.5V52 G53 P54 K694V52-D692 CarbonylContact C-O 3.5Å; V52-D692 VanDerWaalsContact C-O 3.3Å; V52-D692 CarbonylContact O-C 3.39Å; G53-D692 CarbonylContact C-O 3.13Å; G53-D692 WeakPolarHBondContact CA-O 3.47Å; P54-D692 WeakPolarHBondContact CD-O 3.44Å; P54-D692 HydrophobicContact CG-CB 4.49Å; P54-D692 VanDerWaalsContact N-O 3.12Å; D692-K694 IonicContact OD1-NZ 3.31Å; D692-K694 PolarHBondContact OD1-NZ 2.83Å
693V35.3Very low34.5Very low102 Ų102113.1 Ų113.162%0.61866%0.663SS**  -139.9146.9114.8-131.60000112.9V52V52-V693 WeakPolarHBondContact O-CG2 3.41Å
694K36.3Very low34.5Very low122 Ų122108 Ų10853%0.5365%0.651SS.*  trans-100.7160.5172.5-59.8161174.4148.80108.3C44 D692C44-K694 VanDerWaalsContact SG-CD 3.57Å; C44-K694 WeakPolarHBondContact SG-CG 3.46Å; D692-K694 IonicContact OD1-NZ 3.31Å; D692-K694 PolarHBondContact OD1-NZ 2.83Å
695G39.8Very low34.6Very low60 Ų60111.2 Ų111.262%0.61965%0.65SS**  cis159.4176.4-0.900000110.5
696M34Very low34.7Very low90 Ų90112.2 Ų112.244%0.44366%0.655SS.*  trans114.8105152.9-68.4-121.1100.400123.5V43 C44 A45V43-M696 HydrophobicContact CB-CE 4.02Å; V43-M696 HydrophobicContact CB-CG 4.32Å; V43-M696 HydrophobicContact CB-SD 3.5Å; V43-M696 VanDerWaalsContact CB-SD 3.5Å; V43-M696 HydrophobicContact CG1-CE 3.74Å; V43-M696 HydrophobicContact CG1-SD 3.5Å; V43-M696 WeakPolarHBondContact CG1-SD 3.47Å; V43-M696 WeakPolarHBondContact O-CG 3.38Å; C44-M696 VanDerWaalsContact C-CE 3.45Å; C44-M696 WeakPolarHBondContact O-CE 3.37Å; A45-M696 HydrophobicContact CB-CE 3.78Å; A45-M696 VanDerWaalsContact O-CA 3.29Å; A45-M696 WeakPolarHBondContact O-CA 3.43Å; A45-M696 PolarHBondContact O-N 3.04Å
697V36.5Very low34.8Very low94 Ų94109.6 Ų109.657%0.5765%0.653SS**  trans87.9107.9132.2-172.50000122.1A45 P46A45-V697 HydrophobicContact CB-CB 4.2Å; A45-V697 HydrophobicContact CB-CG2 3.55Å; A45-V697 PolarHBondContact O-N 3.46Å; P46-V697 PolarHBondContact O-N 3.46Å
698G33.5Very low35Very low50 Ų50114 Ų11452%0.51566%0.657SS.*  89.5154.9129.100000119.3
699E33.3Very low35.4Very low174 Ų174113 Ų11381%0.81366%0.661SS**  cis-170.2156.3-13.6-144.5-177.9-140.600111.6
700L42Very low35.7Very low138 Ų138110 Ų11072%0.72366%0.661SS**  trans73.8130156.6-110.973.3000125.2K846L700-K846 PolarHBondContact O-NZ 3.01Å
701G35.9Very low35.9Very low56 Ų56116.5 Ų116.558%0.57768%0.675SS**  trans93.7143.4131.300000120.8K846G701-K846 PolarHBondContact O-NZ 3.17Å
702E36.5Very low35.8Very low149 Ų149122 Ų12270%0.69670%0.695SS**  cis-173.4152.6-6.3-141.3-169-176.800114
703R39.7Very low35.9Very low182 Ų182122.1 Ų122.169%0.68771%0.712SS**  trans58.7152.3154.4-161.8169.1-64.496.29.1119.7D705R703-D705 VanDerWaalsContact CG-OD1 3.32Å; R703-D705 WeakPolarHBondContact CG-OD1 3.16Å
704G37.3Very low35.9Very low65 Ų65126.3 Ų126.367%0.6772%0.724SS**  cis-175.8-167.70.600000110
705D36Very low35.7Very low144 Ų144131.2 Ų131.277%0.7775%0.746SS**  cis-151.8178.64.6-71.9-51000110.5R703R703-D705 VanDerWaalsContact CG-OD1 3.32Å; R703-D705 WeakPolarHBondContact CG-OD1 3.16Å
706E34Very low35.2Very low206 Ų206131.4 Ų131.496%0.96375%0.748SS**  trans-111.4171.8-158.2-51.8177.6139.800117.9
707G32.6Very low35Very low72 Ų72135.5 Ų135.574%0.74277%0.77SS**  trans149.5125.1160.100000112.8
708L36Very low34.6Very low177 Ų177136.3 Ų136.393%0.92779%0.787SS**  cis-132.9145.825.3-73.3164.1000114.4
709V38.7Very low34.3Very low145 Ų145137.1 Ų137.188%0.87980%0.795SS**  trans-47.4143.8165.6-175.60000112.3
710G34.8Very low34.1Very low66 Ų66135.6 Ų135.668%0.6880%0.797SS**  cis147.486-000000111.3
711E36.1Very low33.5Very low199 Ų199137.4 Ų137.493%0.9380%0.804SS**  trans-81.8159.6175.5-67.8-172.7131.600111.8G713E711-G713 PolarHBondContact O-N 3.31Å
712K31.8Very low32.9Very low206 Ų206140.8 Ų140.890%0.89681%0.814SS**  trans-82.189.8-165.9-171.4-171.6179.5-164.70110.7E714K712-E714 PolarHBondContact O-N 3.22Å
713G33Very low32.4Very low68 Ų68140.6 Ų140.670%0.70182%0.817SS**  trans-53133.5173.500000112.2E711E711-G713 PolarHBondContact O-N 3.31Å
714E35.6Very low31.8Very low189 Ų189137.8 Ų137.888%0.88382%0.824SS**  trans-72149.2-179.1-64.9177.3130.400111K712 G716K712-E714 PolarHBondContact O-N 3.22Å; E714-G716 PolarHBondContact O-N 3.49Å
715K32.4Very low31.5Very low225 Ų225140.8 Ų140.898%0.97883%0.83SS**  trans-90.188.5177.9-75.4-173.2174.9-174.90110.1
716G28.3Very low31.5Very low65 Ų65139.1 Ų139.167%0.6782%0.82SS**  trans-176147.7171.600000109.3E714E714-G716 PolarHBondContact O-N 3.49Å
717I31.2Very low31.7Very low175 Ų175132.9 Ų132.990%0.89779%0.793SS**  cis-133.1152.7-2.933.3174.9000108.8
718A28.7Very low32.2Very low112 Ų112132 Ų13293%0.92677%0.768SS**  trans-74.2135.7-165.900000112.9
719G26.5Very low32.4Very low67 Ų67129.9 Ų129.969%0.69175%0.747SS**  trans-104.6143.1173.800000113
720V29.8Very low32.3Very low142 Ų142129.4 Ų129.486%0.86174%0.736SS**  trans74.9118.3153.7-175.70000117.9
721M27.5Very low32.5Very low175 Ų175129.8 Ų129.886%0.86272%0.721SS**  trans-59.4131.7165.2-47.3156.7-160.300111.3
722T24Very low32.6Very low127 Ų127122.4 Ų122.478%0.77969%0.69SS**  175.5153.4125.827.40000111.3
723N26.8Very low32.6Very low145 Ų145116.8 Ų116.878%0.77568%0.682SS**  trans58.357.2168.2-67.3-6000118
724C26.4Very low32.3Very low123 Ų123119.7 Ų119.783%0.83168%0.675SS**  trans-88.384.1141.2-79.50000109.3I726C724-I726 PolarHBondContact O-N 3.2Å
725T31Very low32Very low129 Ų129116 Ų11679%0.79166%0.661SS**  trans-71.285.216549.80000109D727T725-D727 PolarHBondContact O-N 2.8Å
726I37Very low32Very low108 Ų108111.2 Ų111.255%0.55464%0.643SS**  trans-67.5110.2167.3-58.6177.2000106.6C724 W728 L731C724-I726 PolarHBondContact O-N 3.2Å; I726-W728 HydrophobicContact CB-CE3 4.47Å; I726-W728 HydrophobicContact CG2-CE3 3.76Å; I726-W728 HydrophobicContact CG2-CZ3 4.18Å; I726-W728 PolarHBondContact O-N 3.47Å; I726-L731 HydrophobicContact CG2-CD1 4.05Å
727D38Very low31.9Very low76 Ų76112.7 Ų112.741%0.40664%0.643SS.*  trans-69.983.1173.117920.5000109.5T725 R729 Q730T725-D727 PolarHBondContact O-N 2.8Å; D727-R729 PolarHBondContact O-N 3.08Å; D727-R729 VanDerWaalsContact OD1-CB 3.31Å; D727-R729 WeakPolarHBondContact OD1-CB 3.28Å; D727-R729 WeakPolarHBondContact OD1-CG 3.16Å; D727-Q730 PolarHBondContact O-N 3.29Å; D727-Q730 PolarHBondContact OD2-NE2 3.01Å
728W41.7Very low31.8Very low54 Ų54111.6 Ų111.621%0.20563%0.634CS.*THydrogen-bonded Turntrans-59.4-20.6-174.6-152.3-98.3000112.4I726 Q730 L731 V732 F1560 V1633I726-W728 HydrophobicContact CB-CE3 4.47Å; I726-W728 HydrophobicContact CG2-CE3 3.76Å; I726-W728 HydrophobicContact CG2-CZ3 4.18Å; I726-W728 PolarHBondContact O-N 3.47Å; W728-Q730 PolarHBondContact O-N 3.27Å; W728-L731 HydrophobicContact CD2-CD1 4.04Å; W728-L731 HydrophobicContact CE3-CD1 3.76Å; W728-L731 HydrophobicContact CH2-CD1 4.18Å; W728-L731 HydrophobicContact CZ2-CD1 4.45Å; W728-L731 HydrophobicContact CZ3-CD1 3.84Å; W728-L731 PolarHBondContact O-N 3.36Å; W728-V732 WeakPolarHBondContact O-CG2 3.22Å; W728-V732 PolarHBondContact O-N 3.44Å; W728-F1560 HydrophobicContact CB-CE2 3.91Å; W728-F1560 HydrophobicContact CG-CE2 4.45Å; W728-V1633 HydrophobicContact CZ2-CG2 4.48Å
729R40Very low31.9Very low132 Ų132110.9 Ų110.950%0.49861%0.614SS.*Hα-helixtrans-57.4-31.9173.4-56.6171.8173.5167.6-1.3111.9D727 A733 D1563D727-R729 PolarHBondContact O-N 3.08Å; D727-R729 VanDerWaalsContact OD1-CB 3.31Å; D727-R729 WeakPolarHBondContact OD1-CB 3.28Å; D727-R729 WeakPolarHBondContact OD1-CG 3.16Å; R729-A733 WeakPolarHBondContact O-CB 3.38Å; R729-A733 PolarHBondContact O-N 2.97Å; R729-A733 VanDerWaalsContact O-N 3.08Å; R729-D1563 IonicContact CZ-OD1 3.07Å; R729-D1563 IonicContact CZ-OD2 3.53Å; R729-D1563 IonicContact NE-OD1 2.81Å; R729-D1563 PolarHBondContact NE-OD1 3.21Å; R729-D1563 IonicContact NE-OD2 3.5Å; R729-D1563 PolarHBondContact NE-OD2 3.48Å; R729-D1563 IonicContact NH2-OD1 3.96Å; R729-D1563 PolarHBondContact NH2-OD1 3.3Å; R729-D1563 IonicContact NH2-OD2 2.71Å
730Q36.7Very low32Very low135 Ų135112.5 Ų112.563%0.63161%0.606SS**Hα-helixtrans-77.2-18.6175.8-69.2-176.752.100114.2D727 W728D727-Q730 PolarHBondContact O-N 3.29Å; D727-Q730 PolarHBondContact OD2-NE2 3.01Å; W728-Q730 PolarHBondContact O-N 3.27Å
731L40.1Very low31.9Very low73 Ų73109.1 Ų109.138%0.38260%0.6SS.*Hα-helixtrans-87.3-42.1173.8-73.2165.1000111.2I726 W728 K734 N735I726-L731 HydrophobicContact CG2-CD1 4.05Å; W728-L731 HydrophobicContact CD2-CD1 4.04Å; W728-L731 HydrophobicContact CE3-CD1 3.76Å; W728-L731 HydrophobicContact CH2-CD1 4.18Å; W728-L731 HydrophobicContact CZ2-CD1 4.45Å; W728-L731 HydrophobicContact CZ3-CD1 3.84Å; W728-L731 PolarHBondContact O-N 3.36Å; L731-K734 PolarHBondContact O-N 3Å; L731-N735 VanDerWaalsContact O-CG 3.31Å; L731-N735 PolarHBondContact O-N 2.67Å; L731-N735 PolarHBondContact O-ND2 2.74Å
732V38Very low32.1Very low44 Ų44105.2 Ų105.227%0.26758%0.582SS.*Hα-helixtrans-66.5-42.3176.6-175.80000111W728 K734 N735 L1632W728-V732 WeakPolarHBondContact O-CG2 3.22Å; W728-V732 PolarHBondContact O-N 3.44Å; V732-K734 PolarHBondContact O-N 2.77Å; V732-N735 PolarHBondContact O-N 3.34Å; V732-L1632 HydrophobicContact CB-CD1 4.4Å; V732-L1632 HydrophobicContact CG1-CD1 3.93Å; V732-L1632 HydrophobicContact CG2-CD1 3.67Å
733A30.9Very low32.4Very low89 Ų89109 Ų10974%0.73658%0.582SS**THydrogen-bonded Turntrans-72.27.8178.600000115.4R729R729-A733 WeakPolarHBondContact O-CB 3.38Å; R729-A733 PolarHBondContact O-N 2.97Å; R729-A733 VanDerWaalsContact O-N 3.08Å
734K28.6Very low32.5Very low129 Ų129102.3 Ų102.356%0.56155%0.547SS*.THydrogen-bonded Turntrans-122.4-24.1174.3-80.6-169.3163-1560114.6L731 V732 E736L731-K734 PolarHBondContact O-N 3Å; V732-K734 PolarHBondContact O-N 2.77Å; K734-E736 PolarHBondContact O-N 2.99Å
735N29Very low32.7Very low110 Ų110104.6 Ų104.659%0.58855%0.546SS*.THydrogen-bonded Turntrans-85.738.1-169.3-75.4-12.6000115.2L731 V732L731-N735 VanDerWaalsContact O-CG 3.31Å; L731-N735 PolarHBondContact O-N 2.67Å; L731-N735 PolarHBondContact O-ND2 2.74Å; V732-N735 PolarHBondContact O-N 3.34Å
736E31.8Very low32.7Very low125 Ų125105.5 Ų105.558%0.58454%0.539SS*.THydrogen-bonded Turntrans-123.59.2168.1-62.1-161.815300113.4K734 H1710K734-E736 PolarHBondContact O-N 2.99Å; E736-H1710 IonicContact OE1-CE1 3.85Å; E736-H1710 IonicContact OE1-ND1 3.73Å; E736-H1710 PolarHBondContact OE1-ND1 3.28Å
737S27.1Very low32.7Very low96 Ų96103.3 Ų103.367%0.67154%0.543SS*.THydrogen-bonded Turntrans-135.1-26.8179.9-610000115.2L739S737-L739 PolarHBondContact O-N 3.12Å
738E28.4Very low32.5Very low152 Ų152106.5 Ų106.571%0.7156%0.56SS**THydrogen-bonded Turntrans-88.547.4-175-66.3-178.5176.700113.1
739L31Very low32.3Very low97 Ų97110.7 Ų110.751%0.50859%0.586SS.*THydrogen-bonded Turntrans-130.123.7166.6-106.1165.5000112.2S737 A1757S737-L739 PolarHBondContact O-N 3.12Å; L739-A1757 VanDerWaalsContact CD2-O 3.22Å; L739-A1757 WeakPolarHBondContact CD2-O 3.17Å
740I29.2Very low32.2Very low102 Ų102108 Ų10852%0.52360%0.6SS.*  trans-132.288.6170.6-53.2-178.5000107.5D742 P1761I740-D742 PolarHBondContact O-N 2.97Å; I740-P1761 HydrophobicContact CD1-CB 4.09Å; I740-P1761 HydrophobicContact CD1-CG 3.87Å; I740-P1761 HydrophobicContact CG1-CB 3.81Å; I740-P1761 HydrophobicContact CG1-CG 3.75Å
741G26.5Very low32.1Very low71 Ų71110.1 Ų110.173%0.73261%0.61SS**  trans-8595.9174.600000110.8
742D31.2Very low31.9Very low92 Ų92112.6 Ų112.649%0.49263%0.628SS.*  trans-92134.8-177.9-138.7-14.5000112.2I740 I796 P799I740-D742 PolarHBondContact O-N 2.97Å; D742-I796 WeakPolarHBondContact O-CB 3.46Å; D742-I796 VanDerWaalsContact O-CD1 3.26Å; D742-I796 WeakPolarHBondContact O-CD1 3.29Å; D742-I796 VanDerWaalsContact O-CG1 3.27Å; D742-I796 WeakPolarHBondContact O-CG1 3.1Å; D742-P799 WeakPolarHBondContact OD1-CD 3.08Å; D742-P799 VanDerWaalsContact OD2-CD 3.3Å; D742-P799 WeakPolarHBondContact OD2-CD 3.36Å; D742-P799 VanDerWaalsContact OD2-CG 3.31Å; D742-P799 WeakPolarHBondContact OD2-CG 2.95Å
743R31Very low31.9Very low208 Ų208113.8 Ų113.879%0.78565%0.649SS**  trans-90.1146.9-151.7-170.4-159.7-152.31529.9115.1E797R743-E797 CarbonylContact C-O 3Å; R743-E797 CarbonylContact O-C 3.54Å
744G30.1Very low32.1Very low4 Ų4116 Ų1164%0.04164%0.644CS.*  trans-174.3111.7155.700000117.8I796 E797G744-I796 VanDerWaalsContact N-CB 3.27Å; G744-I796 CarbonylContact O-C 3.38Å; G744-I796 WeakPolarHBondContact O-CA 3.4Å; G744-E797 VanDerWaalsContact CA-N 3.25Å; G744-E797 WeakPolarHBondContact CA-O 3.33Å; G744-E797 PolarHBondContact O-N 2.9Å
745E29.5Very low32.3Very low170 Ų170115 Ų11579%0.79464%0.64SS**  trans61.5147.8139.7-42.9-151.7160.800122.9
746K32.1Very low32.7Very low148 Ų148113 Ų11364%0.64365%0.645SS**  trans-129.4150.4-176.3164-179.1173.7176.60109.5D749K746-D749 IonicContact NZ-OD2 3.54Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å
747G35.6Very low32.7Very low62 Ų62113.3 Ų113.364%0.63966%0.661SS**  trans170148.3148.400000113.5
748D34.9Very low32.9Very low144 Ų144120.9 Ų120.977%0.7768%0.675SS**  cis-157.6170-16.1-94.2-34.9000108.7
749D37.8Very low33.3Very low141 Ų141117.3 Ų117.375%0.75468%0.679SS**  trans-93.2164.5-165.3-66.3-74.4000116.7K746K746-D749 IonicContact NZ-OD2 3.54Å; K746-D749 PolarHBondContact NZ-OD2 3.15Å
750G36.1Very low33.3Very low77 Ų77121 Ų12179%0.79470%0.697SS**  trans100.2144.2165.700000116.3
751E35.6Very low33.7Very low179 Ų179124.3 Ų124.384%0.83672%0.716SS**  cis-162.9177.47.7-109-141.5115.300109.1
752V36.7Very low34.1Very low124 Ų124124.4 Ų124.475%0.75272%0.717SS**  -169.6141.7-53.3131.20000109.2
753G36.6Very low34.2Very low69 Ų69132 Ų13271%0.71174%0.739SS**  trans63.9171.2168.600000117.5
754E36.4Very low34.3Very low136 Ų136131.9 Ų131.964%0.63674%0.744SS**  cis-158.5155.1-10.5-67.5-153.9133.900107.3P782E754-P782 HydrophobicContact CB-CG 3.69Å; E754-P782 VanDerWaalsContact CD-CG 3.49Å; E754-P782 HydrophobicContact CG-CG 3.63Å; E754-P782 WeakPolarHBondContact OE1-CD 3.39Å; E754-P782 VanDerWaalsContact OE1-CG 3.28Å; E754-P782 WeakPolarHBondContact OE1-CG 3.42Å; E754-P782 VanDerWaalsContact OE2-CD 3.27Å; E754-P782 WeakPolarHBondContact OE2-CD 3.13Å
755K31.6Very low34.5Very low108 Ų108135 Ų13547%0.4778%0.777SS.*  cis-148.5160.7-11.3-162148.3-79.3115.60109.8P782K755-P782 HydrophobicContact CB-CB 4.26Å; K755-P782 HydrophobicContact CB-CG 3.16Å; K755-P782 HydrophobicContact CD-CB 2.29Å; K755-P782 HydrophobicContact CD-CG 2.3Å; K755-P782 WeakPolarHBondContact CE-O 3.4Å; K755-P782 HydrophobicContact CG-CB 3.06Å; K755-P782 HydrophobicContact CG-CG 2.73Å; K755-P782 PolarHBondContact NZ-O 2.88Å
756G36.8Very low34.8Very low67 Ų67135.5 Ų135.569%0.69178%0.779SS**  trans-91.2178.4-177.100000117
757S31.8Very low34.9Very low132 Ų132134.7 Ų134.792%0.92378%0.78SS**  trans-174.2162.5134.344.20000113.8
758R33.2Very low34.8Very low255 Ų255134.9 Ų134.996%0.96278%0.782SS**  trans-60.3153.9-170.6-56167.5-179.4142.3-0.4115
759G35Very low34.8Very low78 Ų78136 Ų13680%0.80478%0.782SS**  trans-174.786.1165.800000115.9
760I32.6Very low34.6Very low174 Ų174135.3 Ų135.389%0.89278%0.784SS**PPolyproline II helixtrans-58.9157.9168.750.2172.2000113.3
761D36.6Very low34.4Very low172 Ų172136.5 Ų136.592%0.9279%0.786SS**PPolyproline II helixtrans-59.6152.4-168.6-107.2-46.6000116.8
762G35.8Very low34.1Very low73 Ų73132.4 Ų132.475%0.75378%0.783SS**PPolyproline II helixtrans-74.3131.3-164.800000116.2
763R31.9Very low34.1Very low250 Ų250132 Ų13294%0.94378%0.783SS**PPolyproline II helixtrans-60.2146.4174.6-63.2176174.7172.1-2.9113.7
764K33.2Very low34Very low206 Ų206134.6 Ų134.690%0.89679%0.79SS**PPolyproline II helixtrans-68.5144.1151.5-86.7172.8176.1161.10110.5
765G34.8Very low33.8Very low71 Ų71137.8 Ų137.873%0.73281%0.805SS**  trans-76.8-169.4172.300000113.2
766E34.8Very low33.8Very low180 Ų180144 Ų14484%0.84183%0.826SS**  cis-156.8162.811.7-75.5-163.2111.600109
767I34.5Very low33.7Very low131 Ų131143.7 Ų143.767%0.67282%0.822SS**  cis-155158.5-5.5-123.7174.6000109.3Q769I767-Q769 HydrophobicContact CG2-CG 4.36Å
768G34.6Very low33.9Very low65 Ų65147 Ų14767%0.6782%0.822SS**  trans170.770.2170.500000113.7
769Q33.5Very low34.1Very low167 Ų167141.4 Ų141.478%0.7882%0.817SS**  61.9123.7100.7-63.7-173.430.700114.4I767I767-Q769 HydrophobicContact CG2-CG 4.36Å
770T33.6Very low34.2Very low128 Ų128140.8 Ų140.879%0.78581%0.81SS**  cis-166.5171.14.34.40000111.4
771A32.4Very low34.5Very low101 Ų101139.8 Ų139.884%0.83581%0.806SS**  trans86.9111.8160.300000118.9
772A29.4Very low34.9Very low94 Ų94134.3 Ų134.378%0.77778%0.78SS**  trans-101.6-159.8157.700000108
773P37.5Very low35.3Very low116 Ų116134 Ų13475%0.75378%0.777SS**  cis-130.4169.2-17.439.6-24.5000113.8
774S34.7Very low35.9Very low122 Ų122128.1 Ų128.185%0.85377%0.771SS**  trans-159.5128.5155.7-81.30000111.3
775E32.6Very low36.5Very low204 Ų204126.1 Ų126.195%0.95377%0.77SS**  trans-95.597.7178.8-63.8172139.600110.5
776R31.5Very low36.9Very low239 Ų239126 Ų12690%0.90277%0.769SS**  trans-162.3130.5160.8-179.1164.4-68.8179-2111.2
777G33Very low36.9Very low59 Ų59126.1 Ų126.161%0.60877%0.77SS**  trans24.3121.9156.700000119.9
778E37Very low37.4Very low201 Ų201128.5 Ų128.594%0.93978%0.775SS**  -147.8129101.9-102.8149.4-153.700108.3
779T36.6Very low37.8Very low139 Ų139128.3 Ų128.385%0.85377%0.773SS**  trans-90128.6-172.6-36.80000108.9
780G37.2Very low38Very low64 Ų64127 Ų12766%0.6677%0.771SS**  trans-68.2144.7-175.100000113.8
781L39.9Very low38.9Very low154 Ų154125.6 Ų125.681%0.80676%0.764SS**  trans-119.9128.7167-66.7170.5000107.9
782P44.9Very low39.5Very low57 Ų57123.8 Ų123.837%0.3776%0.756SS.*  trans-64.9170.7170.20.4-1.3000116.5E754 K755E754-P782 HydrophobicContact CB-CG 3.69Å; E754-P782 VanDerWaalsContact CD-CG 3.49Å; E754-P782 HydrophobicContact CG-CG 3.63Å; E754-P782 WeakPolarHBondContact OE1-CD 3.39Å; E754-P782 VanDerWaalsContact OE1-CG 3.28Å; E754-P782 WeakPolarHBondContact OE1-CG 3.42Å; E754-P782 VanDerWaalsContact OE2-CD 3.27Å; E754-P782 WeakPolarHBondContact OE2-CD 3.13Å; K755-P782 HydrophobicContact CB-CB 4.26Å; K755-P782 HydrophobicContact CB-CG 3.16Å; K755-P782 HydrophobicContact CD-CB 2.29Å; K755-P782 HydrophobicContact CD-CG 2.3Å; K755-P782 WeakPolarHBondContact CE-O 3.4Å; K755-P782 HydrophobicContact CG-CB 3.06Å; K755-P782 HydrophobicContact CG-CG 2.73Å; K755-P782 PolarHBondContact NZ-O 2.88Å
783G44.6Very low40Very low67 Ų67125 Ų12569%0.69176%0.756SS**  trans168.2153.5159.200000111.5
784P43.5Very low40.7Very low126 Ų126123.6 Ų123.682%0.81875%0.747SS**PPolyproline II helixcis-95.4161.6-43.636.2-28.5000110.6
785D46.3Very low41Very low163 Ų163121.2 Ų121.287%0.87274%0.741SS**PPolyproline II helixtrans-74.6142.3160.4-68.3-58.9000108.7
786G42.7Very low41.4Very low69 Ų69116 Ų11671%0.71172%0.719SS**PPolyproline II helixtrans-74.2154.1171.600000110.8K788G786-K788 PolarHBondContact O-N 2.97Å
787E35.4Very low42Very low183 Ų183111.3 Ų111.386%0.85571%0.707SS**  trans-53.6112.4-169.6-71.3172.3155.600112.8G789E787-G789 PolarHBondContact O-N 2.04Å
788K44.6Very low42.7Very low181 Ų181110.7 Ų110.779%0.78770%0.701SS**  trans-83.687.3172.2176.1-154.9169.5-1560106.5G786G786-K788 PolarHBondContact O-N 2.97Å
789G43.1Very low43Very low61 Ų61105 Ų10563%0.62968%0.681SS**  trans-50.6149.9178.400000112.7E787E787-G789 PolarHBondContact O-N 2.04Å
790D37.2Very low43.4Very low139 Ų139107.4 Ų107.474%0.74368%0.683SS**  trans-57.9134.6-163.2-68.8-85000113.8G792D790-G792 PolarHBondContact O-N 3Å
791P52.4Low43.6Very low98 Ų98107.8 Ų107.864%0.63669%0.687SS**  trans-61.2113.4164.9-15.929.8000108.4
792G46.5Very low43.7Very low63 Ų63108.9 Ų108.965%0.64969%0.693SS**PPolyproline II helixtrans-49.8141.517200000110.6D790D790-G792 PolarHBondContact O-N 3Å
793P39.3Very low43.5Very low121 Ų121114.4 Ų114.479%0.78671%0.714SS**PPolyproline II helixtrans-55.7140.2-166.819.9-32.7000111.9
794P51.4Low43.3Very low86 Ų86114.2 Ų114.256%0.55871%0.712SS**PPolyproline II helixtrans-49.7141.8174.6-29.336.2000112.5I796P794-I796 PolarHBondContact O-N 2.98Å
795G42.4Very low43Very low72 Ų72116 Ų11674%0.74272%0.715SS**PPolyproline II helixtrans-59.6125.9-178.900000111.4E797G795-E797 PolarHBondContact O-N 3.29Å
796I39.5Very low42.7Very low94 Ų94113.4 Ų113.448%0.48271%0.707SS.*  trans-63.7114.2-171.138.2-178.5000113.2D742 G744 P794 G798D742-I796 WeakPolarHBondContact O-CB 3.46Å; D742-I796 VanDerWaalsContact O-CD1 3.26Å; D742-I796 WeakPolarHBondContact O-CD1 3.29Å; D742-I796 VanDerWaalsContact O-CG1 3.27Å; D742-I796 WeakPolarHBondContact O-CG1 3.1Å; G744-I796 VanDerWaalsContact N-CB 3.27Å; G744-I796 CarbonylContact O-C 3.38Å; G744-I796 WeakPolarHBondContact O-CA 3.4Å; P794-I796 PolarHBondContact O-N 2.98Å; I796-G798 PolarHBondContact O-N 3.5Å
797E44.4Very low42.5Very low140 Ų140113.2 Ų113.265%0.65471%0.705SS**  trans-65.283175.4-67-161.4140.500112.6R743 G744 G795R743-E797 CarbonylContact C-O 3Å; R743-E797 CarbonylContact O-C 3.54Å; G744-E797 VanDerWaalsContact CA-N 3.25Å; G744-E797 WeakPolarHBondContact CA-O 3.33Å; G744-E797 PolarHBondContact O-N 2.9Å; G795-E797 PolarHBondContact O-N 3.29Å
798G47.1Very low42.7Very low46 Ų46114.4 Ų114.447%0.47471%0.711SS.*PPolyproline II helixtrans-48.4151.7-178.800000115.5I796I796-G798 PolarHBondContact O-N 3.5Å
799P43.2Very low42.3Very low82 Ų82112 Ų11253%0.53271%0.711SS.*PPolyproline II helixtrans-59.1137.6-154.319.5-33.3000115.4D742 G801D742-P799 WeakPolarHBondContact OD1-CD 3.08Å; D742-P799 VanDerWaalsContact OD2-CD 3.3Å; D742-P799 WeakPolarHBondContact OD2-CD 3.36Å; D742-P799 VanDerWaalsContact OD2-CG 3.31Å; D742-P799 WeakPolarHBondContact OD2-CG 2.95Å; P799-G801 PolarHBondContact O-N 2.96Å; P799-G801 VanDerWaalsContact O-N 3.13Å
800Q46.1Very low42.1Very low189 Ų189116.3 Ų116.388%0.88372%0.718SS**PPolyproline II helixtrans-56.9116.8175-66.9-175.47.800111.2L802Q800-L802 PolarHBondContact O-N 3.35Å
801G42Very low42.3Very low73 Ų73116.4 Ų116.475%0.75372%0.718SS**PPolyproline II helixtrans-58.1135.8179.800000112.6P799 Q803P799-G801 PolarHBondContact O-N 2.96Å; P799-G801 VanDerWaalsContact O-N 3.13Å; G801-Q803 PolarHBondContact O-N 3.27Å
802L40.5Very low41.5Very low177 Ų177115 Ų11593%0.92772%0.721SS**PPolyproline II helixtrans-54.4137-174.9-75170.3000112.9Q800 G804Q800-L802 PolarHBondContact O-N 3.35Å; L802-G804 PolarHBondContact O-N 2.87Å; L802-G804 VanDerWaalsContact O-N 3.15Å
803Q41.3Very low40.9Very low172 Ų172119.7 Ų119.780%0.80473%0.73SS**  trans-60.2110-173.7-176.9178.11000112.9G801G801-Q803 PolarHBondContact O-N 3.27Å
804G40.2Very low40.8Very low64 Ų64122.9 Ų122.966%0.6673%0.734SS**PPolyproline II helixtrans-75.5148.8163.500000112.1L802L802-G804 PolarHBondContact O-N 2.87Å; L802-G804 VanDerWaalsContact O-N 3.15Å
805D38.1Very low40.2Very low162 Ų162121.7 Ų121.787%0.86674%0.738SS**PPolyproline II helixtrans-60.6142-167.8-70.1-67.9000115.2G807D805-G807 PolarHBondContact O-N 3.46Å
806P40.1Very low39.7Very low109 Ų109125.4 Ų125.471%0.70874%0.74SS**PPolyproline II helixtrans-65.3129.7177.9-2133000113.9
807G37.1Very low39.8Very low65 Ų65127.5 Ų127.567%0.6776%0.757SS**PPolyproline II helixtrans-78.6148169.900000113.3D805 V809D805-G807 PolarHBondContact O-N 3.46Å; G807-V809 PolarHBondContact O-N 3.36Å
808E39.7Very low39.3Very low209 Ų209124.2 Ų124.298%0.97776%0.761SS**PPolyproline II helixtrans-66.3130.1172.8-67.3-173.1128.400111.6
809V37.7Very low38.7Very low130 Ų130131 Ų13179%0.78878%0.78SS**  trans-112.6169.5175.8-174.90000109G807G807-V809 PolarHBondContact O-N 3.36Å
810I38.2Very low38.3Very low151 Ų151135.7 Ų135.777%0.77480%0.795SS**  trans120.4116.6177.6-70.1157.9000109.2
811D40.6Very low37.9Very low142 Ų142129.8 Ų129.876%0.75978%0.784SS**  cis-136.2164.6-2.1-77.1-45.4000107.9
812G36.2Very low37.9Very low68 Ų68132.4 Ų132.470%0.70179%0.789SS**  cis105.5145.221.300000111.3
813I34.2Very low37.6Very low161 Ų161130.9 Ų130.983%0.82678%0.777SS**  cis-153.6179.1-3.6-52.1179.7000107.1
814E37.4Very low37.5Very low189 Ų189125.4 Ų125.488%0.88377%0.766SS**  trans85.4129.5156.3-157.6174.1-132.600116
815G37.7Very low37.6Very low61 Ų61128.7 Ų128.763%0.62978%0.776SS**  cis153.7158.6-0.200000108.8
816D32.5Very low37.5Very low149 Ų149127.9 Ų127.980%0.79777%0.765SS**  cis-161.8-176.3-7.3-89.5-30.5000108.1
817V40.8Very low37.7Very low139 Ų139126.2 Ų126.284%0.84277%0.767SS**  trans76.9117.6168-168.90000116
818G35.4Very low37.3Very low70 Ų70132.1 Ų132.172%0.72277%0.774SS**  trans-107.2175.3160.900000111.4
819E33.9Very low37.1Very low188 Ų188129.7 Ų129.788%0.87976%0.761SS**  trans-145.6164.2174.2-127.1169.2-147.600110.9
820Q33.7Very low36.8Very low182 Ų182126.7 Ų126.785%0.8576%0.756SS**  trans-42.2148.5-171.8-72.6168.2-72.500116.5
821G39Very low36.7Very low64 Ų64126.7 Ų126.766%0.6675%0.753SS**PPolyproline II helixtrans-59.4144.7155.900000110.7E823G821-E823 PolarHBondContact O-N 3.43Å
822P41.1Very low36.2Very low129 Ų129128.5 Ų128.584%0.83876%0.757SS**PPolyproline II helixtrans-66.5121.3-173.825.9-33.8000112G824P822-G824 PolarHBondContact O-N 3.03Å
823E34.6Very low36.5Very low145 Ų145129 Ų12968%0.67876%0.762SS**PPolyproline II helixtrans-51.5131.1163.5-172.5-166.7158.700109.6G821 K826G821-E823 PolarHBondContact O-N 3.43Å; E823-K826 IonicContact OE1-NZ 2.66Å; E823-K826 PolarHBondContact OE1-NZ 3.21Å
824G39Very low36.3Very low57 Ų57127.4 Ų127.459%0.58876%0.755SS**PPolyproline II helixtrans-60.1130.9178.400000111.5P822 K826P822-G824 PolarHBondContact O-N 3.03Å; G824-K826 PolarHBondContact O-N 3.09Å; G824-K826 VanDerWaalsContact O-N 3.09Å
825P43.1Very low36Very low132 Ų132125.5 Ų125.586%0.85776%0.756SS**  trans-65.6114.8178.925.9-33.1000110.6G827P825-G827 PolarHBondContact O-N 2.86Å
826K35.9Very low35.7Very low146 Ų146126 Ų12664%0.63576%0.761SS**  trans-42.8127173.7-62.9171.4173.367.80111.8E823 G824 F828E823-K826 IonicContact OE1-NZ 2.66Å; E823-K826 PolarHBondContact OE1-NZ 3.21Å; G824-K826 PolarHBondContact O-N 3.09Å; G824-K826 VanDerWaalsContact O-N 3.09Å; K826-F828 HydrophobicContact CB-CD2 4.44Å; K826-F828 HydrophobicContact CB-CE2 4.37Å
827G43.1Very low35.5Very low73 Ų73126.4 Ų126.475%0.75376%0.763SS**  trans-67.4140.3169.200000111.8P825P825-G827 PolarHBondContact O-N 2.86Å
828F29.1Very low35.1Very low189 Ų189124.9 Ų124.983%0.82976%0.759SS**  trans-150142168.1-88.9-72.1000110.4K826K826-F828 HydrophobicContact CB-CD2 4.44Å; K826-F828 HydrophobicContact CB-CE2 4.37Å
829K36.6Very low34.9Very low158 Ų158124.6 Ų124.669%0.68776%0.756SS**  trans61.7125.8-166.5-74.8-150.3158.5-167.80115.3E831K829-E831 VanDerWaalsContact CE-OE1 3.26Å; K829-E831 WeakPolarHBondContact CE-OE1 3.47Å; K829-E831 IonicContact NZ-OE1 2.64Å; K829-E831 PolarHBondContact NZ-OE1 2.89Å; K829-E831 IonicContact NZ-OE2 2.66Å; K829-E831 PolarHBondContact NZ-OE2 2.93Å
830G31.5Very low35.1Very low68 Ų68123.1 Ų123.170%0.70175%0.754SS**  cis78.392.8-9.100000116
831E35.1Very low35.3Very low151 Ų151118.9 Ų118.971%0.70674%0.744SS**  trans-165.493.1150.1-117162.1-151.300108.9K829K829-E831 VanDerWaalsContact CE-OE1 3.26Å; K829-E831 WeakPolarHBondContact CE-OE1 3.47Å; K829-E831 IonicContact NZ-OE1 2.64Å; K829-E831 PolarHBondContact NZ-OE1 2.89Å; K829-E831 IonicContact NZ-OE2 2.66Å; K829-E831 PolarHBondContact NZ-OE2 2.93Å
832E30Very low35.3Very low180 Ų180121 Ų12184%0.84175%0.747SS**  12.1127.9128-161.6174-171.400116.8
833G43.6Very low35.2Very low77 Ų77122.2 Ų122.279%0.79474%0.741SS**  trans-174.177.5-175.500000113.4
834D28.6Very low35.3Very low129 Ų129125.1 Ų125.169%0.6975%0.746SS**  trans-85.1157.4-161.3-58.3-57.3000117.3
835V31.3Very low35.2Very low149 Ų149128 Ų12890%0.90375%0.752SS**  trans53.6111.9145.2172.90000118.1
836G30.8Very low34.7Very low72 Ų72128.3 Ų128.374%0.74274%0.74SS**  trans115.8164.3138.200000118.1
837D28.6Very low34.7Very low156 Ų156124.9 Ų124.983%0.83475%0.746SS**  trans-34.3160.8154.8-81.6-61.7000115.9
838S32.1Very low34.4Very low107 Ų107128 Ų12875%0.74874%0.741SS**  cis-179.6165.5-20-105.50000107.8
839G31.5Very low34.9Very low64 Ų64124.8 Ų124.866%0.6674%0.739SS**  trans102.6133.2165.700000114.1
840D39.8Very low35.1Very low157 Ų157120.7 Ų120.784%0.8474%0.742SS**SBendcis-119.5125.44.1-87.8-47.5000110.8
841S37.6Very low35.4Very low93 Ų93121.7 Ų121.765%0.6574%0.736SS**  98.2130.555.2-73.50000111.1
842P38.7Very low35.7Very low109 Ų109119.7 Ų119.771%0.70875%0.745SS**  cis-142.1178.8-10.145-28.3000115.9
843E39.1Very low36Very low154 Ų154114.5 Ų114.572%0.7274%0.74SS**  trans72.7114.9157-73-170.9134.400118
844R37Very low35.8Very low206 Ų206120.1 Ų120.178%0.77775%0.746SS**  96143.665.6-90.3-168.7165.7-171.4-10.6110.8
845T36.6Very low36.6Very low117 Ų117120 Ų12072%0.71875%0.752SS**  cis-160.4164.8-4.54.40000109.9
846K32.4Very low36.8Very low139 Ų139116.5 Ų116.560%0.60475%0.746SS**  trans-58.7138.8159.8-173.9168.1179171.50109.1L700 G701 E848L700-K846 PolarHBondContact O-NZ 3.01Å; G701-K846 PolarHBondContact O-NZ 3.17Å; K846-E848 VanDerWaalsContact CE-OE2 3.29Å; K846-E848 WeakPolarHBondContact CE-OE2 3.21Å
847G35.1Very low37.2Very low74 Ų74119.8 Ų119.876%0.76375%0.752SS**  trans-177.663.6-165.900000114.4
848E37.1Very low37.7Very low140 Ų140121.9 Ų121.965%0.65476%0.756SS**  trans-75.9178.4166.1-60.9162.498.700110.3K846K846-E848 VanDerWaalsContact CE-OE2 3.29Å; K846-E848 WeakPolarHBondContact CE-OE2 3.21Å
849P40.5Very low37.7Very low120 Ų120119.8 Ų119.878%0.77975%0.752SS**  cis-128175.8-5.925.1-2.4000114.3
850G39.5Very low37.9Very low72 Ų72125.3 Ų125.374%0.74277%0.767SS**  trans177.589.1166.600000113.8
851P37.6Very low37.7Very low89 Ų89127.3 Ų127.358%0.57877%0.771SS**  trans-82136.4-175.530.7-33.5000114.1K48K48-P851 HydrophobicContact CD-CG 4.22Å
852A42.8Very low37.5Very low110 Ų110126 Ų12691%0.90977%0.772SS**  trans61.3147.6156.700000121
853G36.5Very low37.8Very low70 Ų70128.3 Ų128.372%0.72278%0.778SS**  trans161.688.4175.100000111P855G853-P855 WeakPolarHBondContact O-CD 3.47Å
854E38.5Very low37.6Very low196 Ų196127.1 Ų127.192%0.91678%0.784SS**  trans-75.8130.6-173.8-62.7-169136.300113.5
855P44.9Very low37.4Very low126 Ų126120.2 Ų120.282%0.81878%0.777SS**  trans-93.8107.7160.30.121000109.5G853G853-P855 WeakPolarHBondContact O-CD 3.47Å
856G35.3Very low37.6Very low76 Ų76122.7 Ų122.778%0.78478%0.784SS**  trans-69.8158.9-176.800000115.2E858G856-E858 PolarHBondContact O-N 3.41Å
857T40.8Very low37.7Very low140 Ų140122.4 Ų122.486%0.85980%0.796SS**  trans-92100.6-179.253.10000113.4
858E37.5Very low37.6Very low200 Ų200122.1 Ų122.194%0.93579%0.794SS**  trans-51.6135.5140175-176-128.200109.3G856G856-E858 PolarHBondContact O-N 3.41Å
859G33.8Very low37.8Very low64 Ų64124.9 Ų124.966%0.6681%0.807SS**  cis163.3139.5-6.700000110
860D35.2Very low37.2Very low180 Ų180129.6 Ų129.696%0.96382%0.815SS**  trans-123.1110.3177.6-86.6-45.4000110.8
861E34.9Very low36.7Very low199 Ų199129.5 Ų129.593%0.9381%0.814SS**  trans-109.6145.5170.8-166.3179176.600109.5
862G33.9Very low37Very low66 Ų66134.4 Ų134.468%0.6883%0.829SS**  trans-70.3-170.8-172.200000115.4
863D44.2Very low36.7Very low156 Ų156135.3 Ų135.383%0.83483%0.826SS**  cis-155.81734.6-106-29.5000108.4
864P34.5Very low36.3Very low129 Ų129135.2 Ų135.284%0.83882%0.824SS**  -146128.4115.331.8-14.8000115.2
865G33.4Very low36.3Very low61 Ų61130.7 Ų130.763%0.62982%0.82SS**  trans-87.1154.1173.400000115.8
866I42Very low35.8Very low169 Ų169134 Ų13487%0.86783%0.825SS**  trans36.4130.5149.426.8173.8000120.5
867P33.6Very low35.6Very low133 Ų133134.9 Ų134.986%0.86483%0.825SS**  -140.7179.371.137.6-20.8000113.7
868G32.1Very low35.6Very low69 Ų69131.7 Ų131.771%0.71182%0.82SS**  cis178.3166.91.100000110.8
869Q41.5Very low35.3Very low198 Ų198131.4 Ų131.493%0.92582%0.819SS**  trans-84174.8-164.8-61.5173.3-1300116.5
870K27.8Very low35Very low218 Ų218136.1 Ų136.195%0.94882%0.824SS**  trans89.2134.3156.4-156173.5-172168.30116.5
871G29.1Very low35.3Very low70 Ų70130.6 Ų130.672%0.72281%0.809SS**  cis-176.1178.7-2.800000113.3
872E45.3Very low35Very low193 Ų193129.1 Ų129.190%0.90280%0.802SS**  trans-75.4-174.7-177.4-50.117611100113.2
873P36.7Very low34.8Very low129 Ų129132.5 Ų132.584%0.83881%0.81SS**  cis-143.2-173.1544.3-24.5000117.8
874G28Very low34.3Very low67 Ų67128.9 Ų128.969%0.69181%0.81SS**  trans115.5112.4163.100000114.8
875A36.9Very low34.1Very low101 Ų101128.1 Ų128.184%0.83581%0.807SS**  71.6140.977.300000113.3
876E35.1Very low34Very low195 Ų195130.6 Ų130.691%0.91182%0.815SS**  cis-140.1-171.221.7-49.8173.3127.300110.5
877A32.2Very low33.4Very low96 Ų96126 Ų12679%0.79381%0.809SS**  cis-161.5150.410.700000114.5
878G39.9Very low33.1Very low73 Ų73128.7 Ų128.775%0.75381%0.811SS**  trans98145.415000000118.3
879Q31.2Very low33.2Very low194 Ų194132.9 Ų132.991%0.90781%0.809SS**  cis-153175.1-6.3-69.7-166-1.500111.3
880Q27.6Very low32.7Very low163 Ų163126.9 Ų126.976%0.76280%0.801SS**  trans-70.4152.8160.1177.5-175-11.400110.6
881G41.2Very low33Very low64 Ų64122.2 Ų122.266%0.6679%0.786SS**  cis145.9-152.4-1.600000111.7
882E29.4Very low33.6Very low167 Ų167124.4 Ų124.478%0.7879%0.787SS**  trans69.9115.6-176.6-63.3-168160.200118
883T29.4Very low33.1Very low138 Ų138118.4 Ų118.485%0.84778%0.778SS**  trans61.5110.2133.5-44.10000122.5
884G32.8Very low33.2Very low80 Ų80118.3 Ų118.383%0.82578%0.777SS**  trans88.4141.6150.100000116.2
885S30.5Very low33.4Very low113 Ų113124.8 Ų124.879%0.7979%0.786SS**  cis-132.2173.621.155.40000115.1
886S30.8Very low33.4Very low112 Ų112123.1 Ų123.178%0.78378%0.779SS**  trans-28.9154.416449.80000116.5
887G29.5Very low33.8Very low73 Ų73122.4 Ų122.475%0.75378%0.781SS**  cis132.8156.622.700000107.7
888E29Very low34.2Very low190 Ų190123.9 Ų123.989%0.88878%0.782SS**  cis-129.6131.17.2-63.4-176.4113.100109.3
889K32.9Very low33.7Very low156 Ų156123.8 Ų123.868%0.67878%0.781SS**  47.888.7108.6-170.3176.4173.2-79.80114.4D891K889-D891 WeakPolarHBondContact CE-OD1 3.42Å; K889-D891 IonicContact NZ-OD1 3.6Å; K889-D891 PolarHBondContact NZ-OD1 2.8Å; K889-D891 IonicContact NZ-OD2 2.84Å; K889-D891 PolarHBondContact NZ-OD2 2.88Å
890G31.6Very low33.8Very low73 Ų73120.8 Ų120.875%0.75378%0.778SS**PPolyproline II helixtrans-77.3141.6148.400000109.5
891D33.9Very low33.9Very low119 Ų119122.9 Ų122.964%0.63679%0.785SS**PPolyproline II helixtrans-83.8134.9173.9-81.9-73.4000111.2K889K889-D891 WeakPolarHBondContact CE-OD1 3.42Å; K889-D891 IonicContact NZ-OD1 3.6Å; K889-D891 PolarHBondContact NZ-OD1 2.8Å; K889-D891 IonicContact NZ-OD2 2.84Å; K889-D891 PolarHBondContact NZ-OD2 2.88Å
892P40.7Very low33.5Very low116 Ų116123.3 Ų123.375%0.75379%0.789SS**PPolyproline II helixtrans-68.8137.6176-17.531.2000111.7
893G35.9Very low33.6Very low68 Ų68124.3 Ų124.370%0.70179%0.794SS**PPolyproline II helixtrans-58.1135.3161.900000110.3
894P37.7Very low33.9Very low127 Ų127122.5 Ų122.583%0.82578%0.784SS**PPolyproline II helixtrans-68.9138.3-175.126.9-34000111.7
895K33.8Very low33.8Very low202 Ų202123.7 Ų123.788%0.87878%0.78SS**PPolyproline II helixtrans-68147.3160.5-78-174.2172.8-174.80109.9
896G36.5Very low34Very low66 Ų66123 Ų12368%0.6878%0.775SS**PPolyproline II helixtrans-58.5158.9167.600000113.8
897L44Very low34.4Very low181 Ų181125 Ų12595%0.94878%0.777SS**  trans-38.5131.2-174.4-58.1167.7000116.4
898P38.9Very low34.5Very low127 Ų127129.9 Ų129.983%0.82578%0.782SS**  trans-129.8118.2152.731.9-15.9000111.8
899G30.5Very low34.7Very low71 Ų71129.4 Ų129.473%0.73278%0.78SS**  trans-160.419.2-175.900000121.4
900P32.7Very low34.8Very low130 Ų130127.7 Ų127.784%0.84479%0.788SS**  trans-64.7151.5164.931.2-33.7000110.7
901K29.3Very low34.9Very low208 Ų208126.9 Ų126.990%0.90478%0.78SS**  trans-77.8130.8-163-177-177-177.41800114.5
902G33.6Very low34.7Very low72 Ų72128.6 Ų128.674%0.74279%0.789SS**  trans87.8111.7138.800000119.3
903E30.9Very low34.8Very low188 Ų188132.1 Ų132.188%0.87980%0.795SS**  trans-58.8171.2155.4-72.1-175.5158.900113.8
904P36.7Very low34.9Very low101 Ų101131.9 Ų131.966%0.65679%0.792SS**  cis-142.8167.4-27.634.6-15.6000116.6
905S31.1Very low35.2Very low104 Ų104132 Ų13273%0.72779%0.794SS**  trans68.1136141.163.40000124.4
906S33Very low35.2Very low100 Ų100131.7 Ų131.770%0.69979%0.792SS**  trans73.894.9149.753.20000121.5
907D40.6Very low34.9Very low154 Ų154131.5 Ų131.582%0.82479%0.79SS**  39.9103.6125.8-49.4-8.3000120.3
908M31Very low34.9Very low174 Ų174131.5 Ų131.586%0.85779%0.785SS**  173.2150.3112.3-92.7-178.468.900112.6
909E33.6Very low34.9Very low181 Ų181131.2 Ų131.285%0.84678%0.784SS**  trans65.8124.2-178.9-54.8-172.114700114.2
910S34.1Very low35Very low119 Ų119130.5 Ų130.583%0.83278%0.776SS**  cis88.4131.635.7-161.90000113.2
911G34.1Very low35Very low57 Ų57132.5 Ų132.559%0.58878%0.779SS**  trans114.883.9-162.800000109.1
912D29.9Very low35.4Very low154 Ų154131.6 Ų131.682%0.82478%0.78SS**  66.9132.472.5-51.8-40.1000110.7
913E42.3Very low35.3Very low191 Ų191130.9 Ų130.989%0.89377%0.773SS**  cis-148.115823-139.2176.1-176.800111.1
914G38.3Very low35.5Very low62 Ų62124.5 Ų124.564%0.63975%0.749SS**  trans-129.4-172.6150.900000108
915P44.7Very low35.5Very low131 Ų131125.3 Ų125.385%0.85174%0.744SS**  cis-120.9-173.9-9.541.8-29.5000111.3
916K34.3Very low35.5Very low195 Ų195123.2 Ų123.285%0.84874%0.738SS**  trans-148.7133.7142.6-145-175.2177.7-1720112.4
917G30.3Very low35.3Very low62 Ų62127.6 Ų127.664%0.63975%0.748SS**  trans-82.9-176164.400000112.1
918E42.8Very low34.9Very low181 Ų181130.4 Ų130.485%0.84675%0.753SS**  trans-52158.4-175-54.3172.3145.900114.3
919P38.9Very low34.8Very low121 Ų121125.7 Ų125.779%0.78675%0.749SS**  -117.8160.782.9-2.223000113.3
920G32.3Very low34.5Very low56 Ų56120.6 Ų120.658%0.57775%0.745SS**  cis11192.6-0.600000114.3
921L33.3Very low34.2Very low172 Ų172122.5 Ų122.590%0.90175%0.752SS**  trans62.9103.1160.8-58.4177.5000120.2
922M37.4Very low34Very low188 Ų188123.3 Ų123.393%0.92676%0.76SS**  -146.1125.7123.1-141.8160.2-7000104.4
923G31.1Very low33.8Very low57 Ų57123.7 Ų123.759%0.58876%0.762SS**  90.8117.855.300000106.2
924S36Very low33.2Very low55 Ų55121 Ų12139%0.38576%0.758SS.*  cis-173.7145.835.946.90000110.3E70 G71 P72E70-S924 CarbonylContact O-C 3.53Å; E70-S924 WeakPolarHBondContact O-CA 3.34Å; E70-S924 WeakPolarHBondContact O-CB 3.38Å; G71-S924 VanDerWaalsContact C-OG 3.28Å; G71-S924 PolarHBondContact O-OG 2.81Å; P72-S924 WeakPolarHBondContact CD-O 3.42Å; P72-S924 VanDerWaalsContact CG-O 3.29Å; P72-S924 WeakPolarHBondContact CG-O 3.46Å
925E35.5Very low32.5Very low118 Ų118122.8 Ų122.855%0.55177%0.767SS**  trans19.6173.9179.6-64.2159.7-153.800120.3E70 G71 P72E70-E925 WeakPolarHBondContact CA-OE1 3.32Å; E70-E925 PolarHBondContact O-N 2.86Å; E70-E925 VanDerWaalsContact O-N 3.08Å; G71-E925 WeakPolarHBondContact CA-OE1 3.06Å; G71-E925 WeakPolarHBondContact CA-OE2 3.24Å; G71-E925 PolarHBondContact N-OE1 3.23Å; P72-E925 VanDerWaalsContact CD-CB 3.47Å
926G31.7Very low31.6Very low59 Ų59123.1 Ų123.161%0.60876%0.757SS**  cis143.6137.8-20.500000116
927E29.6Very low31.1Very low193 Ų193117.3 Ų117.390%0.90274%0.74SS**  trans5090.7141-55.9-171152.400121.2
928K31.2Very low31Very low212 Ų212122.8 Ų122.892%0.92276%0.755SS**  trans-171.7153.1132.4-101.4161.2-175.3-178.10109.7
929G29.6Very low30.2Very low75 Ų75120.3 Ų120.377%0.77374%0.743SS**  cis136.2117.9-12.700000114
930G28Very low29.7Very low75 Ų75119.3 Ų119.377%0.77375%0.745SS**  trans98117.4161.500000117.8
931V28Very low29.6Very low159 Ų159120 Ų12096%0.96475%0.752SS**  trans14.4136.4137.7-173.20000119.2
932G28.1Very low29.4Very low74 Ų74119.6 Ų119.676%0.76375%0.75SS**  trans171.868.9162.300000118.2
933D25.9Very low29.2Very low161 Ų161118.7 Ų118.786%0.86175%0.748SS**  trans-75.9144.7149.7-66.8-57.5000108.4
934V29.3Very low29.3Very low136 Ų136118.9 Ų118.982%0.82475%0.75SS**  cis-143.5147.8-16.1-171.10000105.7
935A25.6Very low29Very low99 Ų99124 Ų12482%0.81877%0.774SS**  trans-175.2149.6149.600000114.1
936E24.2Very low29.4Very low138 Ų138124.7 Ų124.765%0.64579%0.788SS**  trans-73.3-172.9-176.8-55174.9103.500117
937C25.1Very low29.7Very low73 Ų73125.3 Ų125.349%0.49380%0.795SS.*  trans72.364.7145.6-73.90000119.4E939C937-E939 PolarHBondContact O-N 3.33Å
938N27.3Very low30.1Very low177 Ų177121.8 Ų121.895%0.94779%0.789SS**  trans-66.190.7146.8-78.5-70.3000110.7A940N938-A940 PolarHBondContact O-N 2.77Å
939E25.8Very low30.3Very low128 Ų128119.4 Ų119.460%0.59879%0.786SS**  trans-72.1125169.2-98.9-128109.200112C937C937-E939 PolarHBondContact O-N 3.33Å
940A29.4Very low30.5Very low100 Ų100119.7 Ų119.783%0.82679%0.789SS**SBendtrans61.986.1162.800000118.9N938N938-A940 PolarHBondContact O-N 2.77Å
941G29.9Very low30.5Very low71 Ų71120.8 Ų120.873%0.73279%0.791SS**  trans-159.666.9174.400000119.2
942L28.7Very low30.9Very low163 Ų163121.3 Ų121.385%0.85379%0.785SS**  trans68.1114.8165.2-60.2169000116.1
943L33.2Very low31.4Very low170 Ų170120.6 Ų120.689%0.8978%0.777SS**  66.5114.286.1-171.293.2000114.1
944G32.8Very low31.9Very low61 Ų61117 Ų11763%0.62976%0.761SS**  cis163.3140.9-600000114.1
945D31Very low32.3Very low163 Ų163118.1 Ų118.187%0.87276%0.761SS**  trans62.5154.4159.5-54.3-16.8000121.8
946P42.5Very low32.7Very low131 Ų131116.5 Ų116.585%0.85175%0.754SS**  trans-88174.8-166.4-10.230.8000116.7
947G37.8Very low33Very low73 Ų73116.8 Ų116.875%0.75376%0.76SS**  trans-80.9-157-176.400000116.5
948P39Very low33.5Very low119 Ų119119.3 Ų119.377%0.77378%0.778SS**  cis-138.9178.111.742.8-24000118.1
949D35.8Very low33.7Very low161 Ų161113.6 Ų113.686%0.86176%0.761SS**  trans49.6118.8148.9-64.6-2000126.7
950G32.2Very low34.3Very low82 Ų82114.9 Ų114.985%0.84577%0.772SS**  trans93.1151.9139.500000120.5
951A29.5Very low34.9Very low98 Ų98117.8 Ų117.881%0.8177%0.774SS**  cis-166.1141.8-1200000115.4
952M36.5Very low35.2Very low170 Ų170117.8 Ų117.884%0.83777%0.774SS**  trans57.2125.4141-156.9-172.4-57.600126.4
953G36.9Very low35.4Very low59 Ų59119.5 Ų119.561%0.60878%0.777SS**  trans114.6153.5140.100000119.8
954T37.3Very low35.7Very low85 Ų85120.7 Ų120.752%0.52178%0.779SS.*  cis-168.5152.4-7.8420000114.5
955I37.1Very low35.8Very low160 Ų160120.8 Ų120.882%0.82178%0.779SS**  trans71.5148.4148.4-70.7163.3000118.9
956G34Very low35.8Very low64 Ų64121.4 Ų121.466%0.6678%0.777SS**  cis-163.6-163.65.100000112.3
957N31.9Very low35.5Very low144 Ų144123.1 Ų123.177%0.7778%0.779SS**  cis-156.6159.118.2-71.6-39.2000112.6
958S34.3Very low35.3Very low127 Ų127123 Ų12389%0.88878%0.777SS**  trans61.2154.4153.4-61.20000119.6
959G32.3Very low35.4Very low57 Ų57124.9 Ų124.959%0.58878%0.781SS**  cis164.9173.2-1.800000111.2
960D38.5Very low35.5Very low154 Ų154124.1 Ų124.182%0.82478%0.782SS**  trans67151.2172-38.9-15.2000114.5
961D42.3Very low35.7Very low162 Ų162122.6 Ų122.687%0.86677%0.766SS**  cis-164.4159.2-21.3-95.4-18.4000104.9
962G36.5Very low36.1Very low71 Ų71124.1 Ų124.173%0.73277%0.767SS**  cis-175178.22.300000109.9
963E31.8Very low36.2Very low198 Ų198124.2 Ų124.293%0.92577%0.766SS**  trans-91.2-167-161.9-52.5170127.400116.4
964Q40.3Very low36.2Very low196 Ų196124.8 Ų124.892%0.91677%0.772SS**  trans103.3124.7168.9-163.5165.532.700114.9
965G33.6Very low35.9Very low62 Ų62128.9 Ų128.964%0.63979%0.785SS**  cis108.3141.916.100000110.7
966E32.7Very low36.2Very low177 Ų177125.6 Ų125.683%0.82777%0.774SS**  cis-167.9-174.61.6-142.2164.9-170.200108.6
967D35.9Very low36.2Very low167 Ų167126 Ų12689%0.89378%0.778SS**  trans63.9148.7172.6-50.8-33.4000118.1
968G33.7Very low36.6Very low69 Ų69124.4 Ų124.471%0.71178%0.776SS**  cis-173.7166-3.900000107.1
969D39.9Very low36.6Very low160 Ų160125.2 Ų125.286%0.85677%0.77SS**  cis-156.3159.128.3-85.9-46.2000112.4
970V39.3Very low36.9Very low145 Ų145126 Ų12688%0.87978%0.778SS**  trans16.4131.2143.8-168.20000118.7
971G35.7Very low36.8Very low49 Ų49127.1 Ų127.151%0.50578%0.778SS.*  cis169.5-165.913.200000109.1
972P37.1Very low36.4Very low131 Ų131130.2 Ų130.285%0.85178%0.778SS**  cis-111.5156.11640.1-32.4000115.6
973E39.9Very low36.2Very low171 Ų171129.5 Ų129.580%0.79977%0.771SS**  trans-80.5142.3156.9178.4-175.9178.900109.4
974G36.1Very low36.3Very low71 Ų71129.5 Ų129.573%0.73277%0.771SS**  trans164.3106.4-179.300000113.6
975E31.3Very low35.8Very low171 Ų171127.4 Ų127.480%0.79976%0.764SS**  cis-124.4145.6-3.5-61.5-170.6133.200110.7
976P43.8Very low35.8Very low92 Ų92127.7 Ų127.760%0.59777%0.767SS**PPolyproline II helixtrans-54.6143.7152.9-19.232.5000109.5
977G34.3Very low35.9Very low71 Ų71127.9 Ų127.973%0.73277%0.768SS**PPolyproline II helixtrans-55.7128.1-173.700000112.5D979G977-D979 PolarHBondContact O-N 3.04Å
978P39.7Very low36.1Very low112 Ų112125.5 Ų125.573%0.72776%0.76SS**PPolyproline II helixtrans-63.9135174.626.1-33.5000110.2
979D34.7Very low36.3Very low143 Ų143125.4 Ų125.477%0.76576%0.759SS**PPolyproline II helixtrans-55.9161.2172.1-85.7-62.9000112.2G977 E981G977-D979 PolarHBondContact O-N 3.04Å; D979-E981 HydrophobicContact CB-CG 4.33Å; D979-E981 PolarHBondContact O-N 3.01Å
980G37.8Very low36.3Very low75 Ų75126 Ų12677%0.77376%0.76SS**  trans-69.757.1166.500000113.8R982G980-R982 VanDerWaalsContact O-CB 3.29Å; G980-R982 WeakPolarHBondContact O-CB 3.46Å
981E36.9Very low35.9Very low176 Ų176126.9 Ų126.982%0.82276%0.755SS**  trans-77.8108.7163.7-63.5-154.5141.900108.4D979D979-E981 HydrophobicContact CB-CG 4.33Å; D979-E981 PolarHBondContact O-N 3.01Å
982R34.1Very low36.1Very low228 Ų228128 Ų12886%0.8677%0.765SS**  cis61.749.838.5-158.1-175.7-78.5-168.7-5114.4G980G980-R982 VanDerWaalsContact O-CB 3.29Å; G980-R982 WeakPolarHBondContact O-CB 3.46Å
983G31.4Very low36Very low56 Ų56129.2 Ų129.258%0.57776%0.764SS**  81.7151.7102.100000120.6I985G983-I985 WeakPolarHBondContact O-CD1 3.04Å
984E34.1Very low35.7Very low198 Ų198130.6 Ų130.693%0.92576%0.761SS**  trans-105.1123.1144.4-63.4-168.4136.300106.2
985I30.8Very low35.9Very low151 Ų151129.8 Ų129.877%0.77475%0.753SS**  cis76.611337.6-53175.9000112.1G983G983-I985 WeakPolarHBondContact O-CD1 3.04Å
986G32.3Very low36Very low68 Ų68128.7 Ų128.770%0.70175%0.751SS**  trans136.979.3-169.900000109.1
987E34.9Very low35.4Very low182 Ų182130.6 Ų130.685%0.8576%0.762SS**  cis-124.6143.322.8-74.2-165.6118.600112.3
988T40.1Very low35.5Very low117 Ų117130.4 Ų130.472%0.71876%0.759SS**  60.311878-36.50000112.8
989G38.2Very low35.1Very low67 Ų67134.7 Ų134.769%0.69177%0.77SS**  trans-151.8-34.6-172.100000119.8
990I40.4Very low35Very low172 Ų172138.1 Ų138.188%0.88278%0.778SS**  trans58.1149.3173.964.8167.2000120
991E30.1Very low34.6Very low164 Ų164137.7 Ų137.777%0.76677%0.774SS**  trans-80.7154.3-178.1-58.8175.19400114.9
992G40.4Very low35Very low71 Ų71138.6 Ų138.673%0.73278%0.778SS**  trans173.8100.4156.800000111.8
993I34.8Very low35Very low158 Ų158133.7 Ų133.781%0.8178%0.775SS**SBendcis-140.9130.68.133.7173.2000108.5
994R34.4Very low35.6Very low199 Ų199133.9 Ų133.975%0.75178%0.778SS**  85.6120.256.7-172.4-170.6-162.6173.99.5111.7
995G38.5Very low35.8Very low55 Ų55131.7 Ų131.757%0.56777%0.773SS**  cis154-144.3-0.400000110.8
996I35Very low36Very low147 Ų147132.2 Ų132.275%0.75478%0.775SS**  trans61.6151.5164.166.6162.9000117.7
997T30.7Very low36.4Very low133 Ų133132.3 Ų132.382%0.81678%0.776SS**  cis169.5138.4-19.5-81.40000104
998G37.1Very low36.5Very low66 Ų66131.1 Ų131.168%0.6878%0.776SS**  trans14496.7176.400000108.9
999E30.7Very low36.7Very low203 Ų203131.3 Ų131.395%0.94978%0.776SS**  66.8141.169.6-69.7-146.7120.700115.2
1000K31.7Very low36.5Very low214 Ų214131.9 Ų131.993%0.9378%0.783SS**  trans-91.8139.4-162.7168.1-176.6178.7174.10112
1001G30.5Very low36.2Very low67 Ų67131.5 Ų131.569%0.69178%0.777SS**  trans148.6111.4155.600000115.5
1002E45.7Very low36.6Very low194 Ų194130.7 Ų130.791%0.90777%0.771SS**  trans-59.9147.2150-46.8-178.812100108.6
1003P32.3Very low36.6Very low125 Ų125130.8 Ų130.881%0.81277%0.772SS**  -141.4145.77535.5-18.7000114.5
1004G45Very low36.9Very low61 Ų61127.9 Ų127.963%0.62977%0.766SS**  trans-78.2166.9169.800000113.3
1005N38.3Very low36.9Very low152 Ų152122.5 Ų122.581%0.81376%0.757SS**  174.5159.6123.3-96-61.2000112.1
1006I34.6Very low37.4Very low161 Ų161123.3 Ų123.383%0.82677%0.765SS**  trans63.6104.6168.8-50.5126.4000113.7
1007G41.3Very low37.7Very low71 Ų71121.9 Ų121.973%0.73277%0.765SS**  cis95.1120.15.200000112.8
1008D36.8Very low37.8Very low157 Ų157123.5 Ų123.584%0.8476%0.764SS**SBendtrans-121.2134.1163-110.4-41.3000107.9
1009V43.4Very low38.2Very low120 Ų120124 Ų12473%0.72777%0.768SS**  trans41.9109160.9-167.90000117E1011V1009-E1011 HydrophobicContact CG1-CB 4.38Å; V1009-E1011 HydrophobicContact CG1-CG 4.4Å
1010G35.1Very low38.3Very low80 Ų80122.9 Ų122.983%0.82576%0.763SS**  cis86.722.515.200000114.2
1011E33.1Very low38.2Very low163 Ų163119.3 Ų119.376%0.76276%0.759SS**  trans-124.3137.4151.9-84.7-151.2-135.900108.5V1009V1009-E1011 HydrophobicContact CG1-CB 4.38Å; V1009-E1011 HydrophobicContact CG1-CG 4.4Å
1012K39.2Very low38.8Very low147 Ų147119.2 Ų119.264%0.63976%0.759SS**  cis-161.7113.6-8.5-175.8-174.6-177.8-176.50109.9S1014K1012-S1014 WeakPolarHBondContact CE-O 3.25Å; K1012-S1014 WeakPolarHBondContact CG-O 3.06Å
1013G39.9Very low38.1Very low73 Ų73117.5 Ų117.575%0.75376%0.756SS**SBendtrans-77.7124.7168.600000110.3
1014S41.3Very low38Very low97 Ų97118.6 Ų118.668%0.67875%0.753SS**  trans64.6144-175.779.10000114.3K1012K1012-S1014 WeakPolarHBondContact CE-O 3.25Å; K1012-S1014 WeakPolarHBondContact CG-O 3.06Å
1015P35.5Very low37.5Very low87 Ų87118.3 Ų118.357%0.56575%0.75SS**  cis-128.4142.634.917.87.3000115.8
1016G47.5Very low37.3Very low72 Ų72116.7 Ų116.774%0.74275%0.748SS**  -75.8141109.200000107
1017P42.3Very low37.1Very low117 Ų117117.9 Ų117.976%0.7675%0.75SS**  -139.5-152.866.742.9-27.4000112.3
1018E32.2Very low36.7Very low167 Ų167117.8 Ų117.878%0.7875%0.749SS**  trans68.974.3165.8-154.5152.3-118.200114.6E1020E1018-E1020 HydrophobicContact CG-CG 4.4Å; E1018-E1020 PolarHBondContact O-N 2.7Å
1019G45Very low36.6Very low75 Ų75116.4 Ų116.477%0.77375%0.749SS**  trans-65.8115.4140.300000107.8T1021G1019-T1021 PolarHBondContact O-N 2.89Å
1020E32.9Very low36.3Very low180 Ų180119.9 Ų119.984%0.84176%0.757SS**PPolyproline II helixtrans-62.9123.3168.6-82.4-164.3124.300109.1E1018 G1022E1018-E1020 HydrophobicContact CG-CG 4.4Å; E1018-E1020 PolarHBondContact O-N 2.7Å; E1020-G1022 PolarHBondContact O-N 2.97Å
1021T29.2Very low36.3Very low139 Ų139118.5 Ų118.585%0.85374%0.743SS**PPolyproline II helixtrans-53.8130.4169.8-64.60000109.6G1019G1019-T1021 PolarHBondContact O-N 2.89Å
1022G44.8Very low36.3Very low66 Ų66113.4 Ų113.468%0.6873%0.729SS**PPolyproline II helixtrans-72143.8-178.200000113.8E1020E1020-G1022 PolarHBondContact O-N 2.97Å
1023D29.6Very low35.9Very low157 Ų157113.6 Ų113.684%0.8474%0.737SS**SBendtrans-72.9136.8148.8-86-22.2000108.6
1024I31.5Very low35.9Very low149 Ų149113.8 Ų113.876%0.76474%0.739SS**  cis-159.1164-12.6-131.4168.1000107.9
1025G34Very low35.7Very low54 Ų54113 Ų11356%0.55774%0.738SS**  trans-61.6165.5173.900000113.8
1026P33.4Very low35.8Very low119 Ų119116.5 Ų116.577%0.77375%0.747SS**  -90.3143.252.7-18.735.9000113.5
1027Q31.3Very low35Very low185 Ų185116.3 Ų116.386%0.86475%0.745SS**  57.888.261-177.9-168.314.100109.5
1028G33.3Very low35.5Very low69 Ų69114.6 Ų114.671%0.71174%0.736SS**  96.3177.781.300000110
1029P34.2Very low35.7Very low129 Ų129113.4 Ų113.484%0.83874%0.74SS**  cis-113.8-179-4.941.4-30.1000113.7
1030Q36.1Very low35.9Very low192 Ų192112.5 Ų112.590%0.89773%0.731SS**  trans-40.2142.5153.1172.8-168.84.300113.7
1031G35.2Very low35.9Very low52 Ų52111.8 Ų111.854%0.53673%0.733SS.*  trans-170.385.7174.800000116.2R1431G1031-R1431 VanDerWaalsContact C-NH1 3.27Å; G1031-R1431 PolarHBondContact O-NH1 3.45Å
1032A33.6Very low36.3Very low56 Ų56110.9 Ų110.946%0.46373%0.73SS.*  trans-52164-176.800000117.7R1431A1032-R1431 PolarHBondContact O-NH1 3.26Å; A1032-R1431 PolarHBondContact O-NH2 2.87Å
1033D31.3Very low36.1Very low151 Ų151110.7 Ų110.781%0.80773%0.727SS**  trans31.6129.8141.5-43.4-21.7000120.2
1034G39.9Very low36.2Very low77 Ų77109 Ų10979%0.79473%0.725SS**  120.330.187.700000119.2
1035A37.7Very low36.1Very low80 Ų80108.9 Ų108.966%0.66173%0.732SS**  trans-164.1176157.400000110.2
1036Q36.3Very low36.5Very low160 Ų160109.3 Ų109.375%0.74874%0.736SS**  trans44.595.1133.1-178.8-146.6-80.200116.1
1037G31.5Very low36.1Very low69 Ų69111.7 Ų111.771%0.71174%0.737SS**  cis160.2-85.44.400000107.5
1038S51.7Low35.9Very low81 Ų81110.4 Ų110.457%0.56673%0.728SS**  trans33.298.2134.6630000119.5
1039T38.1Very low35.6Very low141 Ų141112.4 Ų112.487%0.86573%0.727SS**  trans63.3119.9132.9-49.60000117.7
1040G48Very low35.5Very low57 Ų57115.4 Ų115.459%0.58873%0.73SS**  cis103.4127.215.900000110.7
1041D33.5Very low35.3Very low165 Ų165109.5 Ų109.588%0.88272%0.721SS**  trans59.8159.9-173.5-56.3-30.2000116.2
1042P37.9Very low35.5Very low120 Ų120114 Ų11478%0.77973%0.727SS**  cis-123-177.4-37.736-21.7000111.2
1043G39.8Very low35.6Very low61 Ų61120.3 Ų120.363%0.62974%0.739SS**  trans-71.5158.8161.300000112.3
1044P32.2Very low36Very low123 Ų123116.2 Ų116.280%0.79973%0.733SS**  trans-76.9123.2169.631.1-32.1000111.4
1045T28.8Very low35.7Very low146 Ų146118.9 Ų118.990%0.89673%0.729SS**  31.6113.1127.6-40.10000117.4
1046G43.1Very low35.6Very low63 Ų63122.6 Ų122.665%0.64974%0.736SS**  cis-158.8167.8-2.400000111.3
1047E25Very low35.4Very low169 Ų169118 Ų11879%0.7973%0.731SS**  cis55.796.545-90.8-96.2144.300111.7
1048F25.8Very low35.9Very low157 Ų157119.8 Ų119.869%0.68973%0.731SS**  trans64.5114.1160.8-65.6-96.5000119.6
1049V27.6Very low35.1Very low112 Ų112123.7 Ų123.768%0.67975%0.745SS**  cis96.3150.941.3166.90000112.4
1050E31.7Very low34.9Very low191 Ų191120.6 Ų120.689%0.89374%0.741SS**  trans70.7135.3165.8-88.8174.4131.700120.3
1051G32.2Very low34.1Very low69 Ų69123.8 Ų123.871%0.71176%0.755SS**  trans155.6100.7165.400000113
1052E39.5Very low34.5Very low145 Ų145124.3 Ų124.368%0.67875%0.752SS**  cis-155.11480.6-76.5-164.6126.300111.5
1053R37.2Very low34.4Very low189 Ų189122 Ų12271%0.71375%0.75SS**  trans59.3139.8130.7-163.9175.9-62.4115.19.7120
1054G38.1Very low33.9Very low65 Ų65127.3 Ų127.367%0.6776%0.758SS**  cis-167.3-171.65.500000111.9
1055D34Very low34.2Very low133 Ų133130.8 Ų130.871%0.71176%0.764SS**  cis-150.4145.424.8-90.8-31.9000114.5
1056I36.1Very low34.4Very low159 Ų159127.5 Ų127.582%0.81576%0.759SS**  trans74.1112.7146.7-62.9163.6000119.6
1057G32.8Very low33.9Very low62 Ų62133 Ų13364%0.63977%0.768SS**  trans-97.3-136.7152.600000111
1058P40.7Very low34.4Very low108 Ų108134.2 Ų134.270%0.70177%0.771SS**  cis-138.1-161-2.942-21.6000113.7
1059D34.8Very low34.9Very low162 Ų162130.5 Ų130.587%0.86678%0.776SS**  trans63.8158.9164.7-51.1-23.7000116.9
1060G35.4Very low35.6Very low76 Ų76133.6 Ų133.678%0.78478%0.784SS**  cis163.5159.9-3.700000108.8
1061S30.4Very low36.2Very low125 Ų125130.6 Ų130.687%0.87478%0.781SS**  cis-161177.8-8.557.70000110.5
1062Q41.2Very low36.2Very low176 Ų176131 Ų13182%0.82279%0.785SS**  trans-60.3148.3176.2176.9-176.2-9.200114.1
1063G36.4Very low36.1Very low72 Ų72128.8 Ų128.874%0.74279%0.791SS**  trans-168145.2168.500000113
1064E28.5Very low35.9Very low171 Ų171126.4 Ų126.480%0.79980%0.797SS**  trans-112.7152.5-170-63.2176.3127.700114.1
1065Q39.1Very low35.8Very low196 Ų196126.7 Ų126.792%0.91680%0.801SS**  trans35.9125.4147.6-162.8177.717.100121.5
1066G33.6Very low35.7Very low78 Ų78128.3 Ų128.380%0.80480%0.804SS**  trans177.2128.7159.800000113.5
1067E31.2Very low35.8Very low179 Ų179127.1 Ų127.184%0.83680%0.804SS**  trans-97.2161.8-168.1-56.9-166115.900117.2
1068K36.7Very low35.8Very low194 Ų194127.4 Ų127.484%0.84381%0.807SS**  trans87.9127.6136.9-152.8158.7-168.91540119.5
1069G34.7Very low35.6Very low78 Ų78130.7 Ų130.780%0.80481%0.813SS**  trans-166.728.9-176.900000117.5
1070E44.3Very low35.7Very low178 Ų178128.9 Ų128.983%0.83281%0.808SS**  trans-71.5162.2152.2-74-159.2133.300109.9
1071P42.7Very low35.8Very low128 Ų128128.3 Ų128.383%0.83180%0.802SS**  cis-132.7-173.87.541.9-25.6000114.5
1072G33Very low36.1Very low78 Ų78128.2 Ų128.280%0.80480%0.798SS**  trans174.893.8163.600000115.8
1073A36.5Very low35.9Very low98 Ų98125.9 Ų125.981%0.8180%0.796SS**  trans-97.9-160.8-178.200000114
1074V33.4Very low35.9Very low138 Ų138126.5 Ų126.584%0.83679%0.794SS**  trans85.7129.4-174.7-172.70000113.3
1075G36.5Very low36.4Very low72 Ų72126.6 Ų126.674%0.74280%0.795SS**  cis-179.1-162.10.300000110.1
1076E31.4Very low36.1Very low166 Ų166122.7 Ų122.778%0.77678%0.784SS**  cis-169.8158.80.3-154.8-175.5-146.400109.3
1077V38.2Very low36Very low135 Ų135126.5 Ų126.582%0.81879%0.785SS**  trans65.9146.4168.7-1720000115.4
1078G32.5Very low36.4Very low68 Ų68123.8 Ų123.870%0.70178%0.783SS**  cis175.6168.4-1.300000107
1079E36.2Very low36.2Very low177 Ų177117.8 Ų117.883%0.82778%0.777SS**  cis-154.614718.4-85.8-164.8108.200111.6
1080T37Very low36Very low124 Ų124122.5 Ų122.576%0.76178%0.782SS**  60.9116.8128.6-52.80000122.1
1081G37.7Very low35.3Very low64 Ų64122.6 Ų122.666%0.6678%0.779SS**  trans-88.8168157.500000113.4
1082P37.9Very low35.1Very low123 Ų123120.3 Ų120.380%0.79978%0.779SS**  -141-175.110438.4-22000111.5
1083T36.3Very low35.1Very low126 Ų126123.5 Ų123.577%0.77377%0.773SS**  cis-159.4143.822.5-24.60000110
1084A36.5Very low35.4Very low85 Ų85125.2 Ų125.270%0.70278%0.776SS**  trans21.9158.4137.200000122.7
1085E37.9Very low35.6Very low174 Ų174122.4 Ų122.481%0.81378%0.775SS**  cis-143.5154.625.9-66-175.3130.900115.4
1086T34.3Very low35.4Very low113 Ų113128 Ų12869%0.69378%0.782SS**  trans32.4129.3147.757.60000122.5
1087L30.2Very low36Very low158 Ų158126 Ų12683%0.82778%0.783SS**  64151.960.6-63.1169.1000115.3
1088P40.7Very low36Very low122 Ų122123.2 Ų123.279%0.79278%0.782SS**  cis-134.7-179.6-39.940.1-23.9000112.4
1089G31.2Very low36.1Very low69 Ų69128.6 Ų128.671%0.71179%0.789SS**  trans-102.9160.8177.300000115.9
1090I32.1Very low36.3Very low177 Ų177128 Ų12891%0.90879%0.791SS**  trans-162.2127.7153.530.1171.8000113.8
1091K29.6Very low36.4Very low179 Ų179125.8 Ų125.878%0.77879%0.793SS**  trans11.5135.7152.2-172.6168.6179.6114.40121.6E1093K1091-E1093 WeakPolarHBondContact CE-OE2 3.36Å; K1091-E1093 IonicContact NZ-OE2 2.69Å; K1091-E1093 PolarHBondContact NZ-OE2 2.71Å
1092G38.1Very low36.1Very low80 Ų80131.6 Ų131.683%0.82580%0.803SS**  trans-16675.5165.500000116.4
1093E33.5Very low35.9Very low145 Ų145134.1 Ų134.168%0.67881%0.809SS**  trans-92.7173.5163.2-55164.299.200110.2K1091K1091-E1093 WeakPolarHBondContact CE-OE2 3.36Å; K1091-E1093 IonicContact NZ-OE2 2.69Å; K1091-E1093 PolarHBondContact NZ-OE2 2.71Å
1094P43.2Very low35.7Very low134 Ų134131.6 Ų131.687%0.8781%0.808SS**  cis-127.3-178.1-24.625.7-3.6000112.9
1095G35.6Very low36.1Very low80 Ų80136.7 Ų136.783%0.82582%0.818SS**  trans-172.9106.5169.900000116.3
1096Q33.2Very low36.1Very low189 Ų189134.6 Ų134.688%0.88382%0.819SS**  trans-96.2-173.1176.3-70.8176.9-43.700111.8
1097P43.9Very low36.4Very low124 Ų124132.9 Ų132.981%0.80582%0.824SS**  cis-131.7-175.1-48.935.8-19.2000112.7
1098G38Very low36.6Very low77 Ų77130.9 Ų130.979%0.79482%0.823SS**  trans171.5123.7160.600000113.3
1099E35.8Very low36.6Very low180 Ų180132.8 Ų132.884%0.84183%0.826SS**  trans-111.5151.5-167.9-65.8157.9137.400113.9
1100D39Very low37Very low164 Ų164133 Ų13388%0.87783%0.829SS**  trans54.8144145.5-66.712.7000125.1
1101G38.9Very low37.1Very low78 Ų78130.8 Ų130.880%0.80482%0.819SS**  trans-172122.2164.800000111
1102Q32.7Very low37.3Very low187 Ų187129.9 Ų129.987%0.87482%0.823SS**  trans-91.4166.4-170-64.8177.1-35.700115.1
1103L33Very low37Very low176 Ų176129.8 Ų129.892%0.92182%0.822SS**  trans88.1126.6140.8-151.280.1000119.9
1104G31.8Very low37.4Very low73 Ų73131.6 Ų131.675%0.75383%0.83SS**  trans13393.8148.800000117
1105E46Very low37.4Very low192 Ų192131.1 Ų131.190%0.89783%0.827SS**  trans-74.7153.8162.9-51.1-174134.600110.8
1106P38.3Very low38Very low129 Ų129130.4 Ų130.484%0.83882%0.82SS**  -143.7162.381.837.2-20.2000115.2
1107G38.9Very low38.6Very low77 Ų77127.4 Ų127.479%0.79482%0.817SS**  trans-93.9178.8179.400000116.1
1108S35.6Very low38.6Very low117 Ų117130 Ų13082%0.81882%0.815SS**  trans-169.3138.5164.960.40000111.1
1109D41.1Very low38.7Very low161 Ų161129.3 Ų129.386%0.86181%0.808SS**  trans-65.5159.5175.7-49.4-72.8000113.6
1110G39.2Very low38.8Very low75 Ų75127.3 Ų127.377%0.77380%0.803SS**  trans-167.941.9-168.100000117.2
1111N34.4Very low38.8Very low130 Ų130126.9 Ų126.970%0.69580%0.796SS**  trans7.6134162.9-53.524.4000120.5
1112D32.6Very low38.9Very low159 Ų159126.9 Ų126.985%0.8580%0.797SS**  trans42.7134.7135-43.3-30.8000121.6
1113G32.4Very low39Very low78 Ų78124.2 Ų124.280%0.80479%0.788SS**  trans166.767.7161.600000119.7
1114E41.5Very low39.1Very low184 Ų184124 Ų12486%0.8678%0.784SS**  trans-47.8163.2149.6-78.5-154.7116.300113.1
1115P44.4Very low39.4Very low124 Ų124124.3 Ų124.381%0.80579%0.787SS**  cis-151176.538.740.8-18.4000119.2
1116G47.3Very low38.7Very low65 Ų65123.2 Ų123.267%0.6778%0.782SS**  trans-105.4-168174.900000116.4
1117P46Very low38.7Very low126 Ų126122.7 Ų122.782%0.81878%0.782SS**  trans-118118.7172.235.2-21.3000112
1118K43Very low38.6Very low177 Ų177122.6 Ų122.677%0.7778%0.78SS**  71.3119.157.5-176.3164.2176.2136.10116.5D1120K1118-D1120 WeakPolarHBondContact CE-OD1 3.4Å; K1118-D1120 IonicContact NZ-OD1 3.88Å
1119G42.1Very low38.7Very low63 Ų63123.4 Ų123.465%0.64978%0.783SS**  trans148.5133.814200000114.3
1120D36.8Very low38.6Very low138 Ų138125.9 Ų125.974%0.73879%0.786SS**  cis-156.7170.4-7.4-90.6-40.4000110.2K1118K1118-D1120 WeakPolarHBondContact CE-OD1 3.4Å; K1118-D1120 IonicContact NZ-OD1 3.88Å
1121E38.7Very low38.6Very low155 Ų155125.3 Ų125.372%0.72478%0.78SS**  trans-77.9163.3-167.9-61.915580.800116.6
1122G41.2Very low38.5Very low79 Ų79125 Ų12581%0.81479%0.788SS**  trans-141.214.7-174.300000118.4
1123L34.4Very low38.7Very low131 Ų131128.8 Ų128.869%0.68679%0.79SS**  trans32.3118.1154.6-60.4173.1000121.7
1124M36.3Very low39.3Very low170 Ų170128.7 Ų128.784%0.83779%0.789SS**  59.8123.9120.3-163.2-176.1-68.400120.6
1125G38.5Very low39.1Very low80 Ų80125.6 Ų125.683%0.82579%0.785SS**  trans-165.788.7170.900000114.3
1126E30.1Very low38.6Very low169 Ų169131.5 Ų131.579%0.7979%0.791SS**  trans-78.2151.3-171.8-57.3173.290.700116
1127S38.4Very low37.8Very low119 Ų119131.9 Ų131.983%0.83280%0.795SS**  trans49.5107.6136.2-65.60000122.5
1128G37.4Very low37Very low74 Ų74134.7 Ų134.776%0.76379%0.794SS**  trans117.8167.2135.500000118
1129P36.4Very low36.4Very low135 Ų135133 Ų13388%0.87779%0.792SS**  cis-121.9169.39.641.7-29.7000116.4
1130K39Very low36.1Very low213 Ų213132.9 Ų132.993%0.92679%0.791SS**  trans-75.7143.3177.6179.1177.3-176.2169.80113.3
1131G39.6Very low36.2Very low62 Ų62133.2 Ų133.264%0.63979%0.793SS**  trans127.687.6140.600000121.4
1132S32.3Very low36Very low123 Ų123132.7 Ų132.786%0.8680%0.8SS**  trans66.4136.5138.476.90000122.5
1133R37.3Very low35.6Very low239 Ų239132.3 Ų132.390%0.90280%0.796SS**  154.4111.5112-167.9166.5-172.7154.72.3110.5
1134G44.2Very low35.7Very low76 Ų76130.6 Ų130.678%0.78480%0.801SS**  trans-66.7148.1-162.400000117.3
1135P37.9Very low35.7Very low119 Ų119131.9 Ų131.977%0.77381%0.805SS**  -117.2144.1108.5-0.320.4000110.9
1136R33.8Very low35.6Very low248 Ų248131.5 Ų131.594%0.93680%0.801SS**  7754.855.2-158.1-160.6174159.21.9115
1137G31.3Very low35.9Very low73 Ų73128.7 Ų128.775%0.75380%0.8SS**  trans61.1-155165.800000114.1
1138K27.9Very low35.9Very low185 Ų185134.6 Ų134.680%0.80480%0.804SS**  cis-168.2150.4-5.8-138.7-175.2-173.8-173.50106.7
1139I31.7Very low35.8Very low142 Ų142134.8 Ų134.873%0.72881%0.805SS**  trans68.3136.1164.4-62.9157.2000112.5
1140G34.4Very low35.6Very low61 Ų61133 Ų13363%0.62980%0.802SS**  cis99.8155.121.500000111
1141N40.2Very low35.3Very low145 Ų145132.6 Ų132.678%0.77580%0.8SS**  trans178.4111.9154.2-89.9-35.9000106.7
1142V33.3Very low34.9Very low144 Ų144132.4 Ų132.487%0.87380%0.799SS**  74.5126.677.4171.20000111.2
1143G32.6Very low35.2Very low71 Ų71133.8 Ų133.873%0.73280%0.797SS**  cis-147.8-164.19.900000113.3
1144A36.4Very low35Very low95 Ų95129.2 Ų129.279%0.78580%0.795SS**  cis-141131.724.300000115.7
1145E37.2Very low34.5Very low197 Ų197129.1 Ų129.192%0.92179%0.794SS**  41.9100.5123.9-163.7166.8-162.700121
1146G37.2Very low34.6Very low71 Ų71129 Ų12973%0.73280%0.796SS**  121.2150.3117.800000118.8
1147S34.7Very low34.7Very low111 Ų111126.5 Ų126.578%0.77680%0.795SS**  cis-166.6139-16.367.70000114.2
1148R39.5Very low34.8Very low243 Ų243126 Ų12692%0.91779%0.789SS**  67.2106.9129.7-173.1-170.9-1731542.5121
1149G35.2Very low35.2Very low77 Ų77126.2 Ų126.279%0.79479%0.793SS**  97.1165.6126.900000118.6
1150A32.5Very low35.5Very low97 Ų97127 Ų12780%0.80280%0.798SS**  cis-163.5150.3-10.600000113.1
1151K31.3Very low35.7Very low205 Ų205127.6 Ų127.689%0.89180%0.803SS**  trans18113.4147.6-174.5-176.9177.6177.80119.2
1152G32.3Very low35.6Very low59 Ų59126 Ų12661%0.60880%0.801SS**  101.2128.2117.900000119.5
1153N37.5Very low36.2Very low152 Ų152125.9 Ų125.981%0.81380%0.795SS**  172.1123.4118.5-78.5-13.1000106.8
1154V33.6Very low36.3Very low142 Ų142126.5 Ų126.586%0.86180%0.801SS**  61.792.572.8-177.90000112.6
1155G34.4Very low36.3Very low75 Ų75130.5 Ų130.577%0.77380%0.804SS**  73.3119.3123.400000120.7
1156S39.2Very low36.6Very low117 Ų117128 Ų12882%0.81879%0.79SS**  trans-152.271.1143.464.70000111.3
1157E36.8Very low36.7Very low195 Ų195128.6 Ų128.691%0.91180%0.796SS**  21.999.2127.4-166.5170.9-169.200118.2
1158G32.4Very low36.8Very low61 Ų61128.8 Ų128.863%0.62979%0.788SS**  65.6115.5119.600000122.5
1159E36.7Very low37Very low190 Ų190127.1 Ų127.189%0.88878%0.782SS**  trans-126110.3134.9-66.5-168.9146.600105.8
1160I38.6Very low37.3Very low160 Ų160127 Ų12782%0.82178%0.781SS**  85.292.969.6-66.5162.9000112.8
1161G38.9Very low37.3Very low72 Ų72130.9 Ų130.974%0.74278%0.782SS**  trans75.4165.914900000118.9
1162P37.6Very low37.9Very low113 Ų113125.5 Ų125.573%0.73478%0.776SS**  cis-112.8166.28.640.2-30.8000115.5
1163D44.8Very low38.4Very low141 Ų141126.3 Ų126.375%0.75478%0.784SS**  trans42.998.5143.4-51.9-21.2000119.9E1165D1163-E1165 PolarHBondContact O-N 2.94Å
1164G35.4Very low38.2Very low83 Ų83127.1 Ų127.186%0.85679%0.789SS**  trans-74.1104.6145.700000108.9K1166G1164-K1166 PolarHBondContact O-N 3.05Å
1165E36.3Very low38.6Very low180 Ų180127.7 Ų127.784%0.84179%0.785SS**  trans-66.4105.8178.3-71.9-150.8119.500111.3D1163 G1167D1163-E1165 PolarHBondContact O-N 2.94Å; E1165-G1167 PolarHBondContact O-N 3.11Å
1166K43.9Very low38.9Very low144 Ų144126.7 Ų126.763%0.62678%0.775SS**  trans36.490.7131-178.7171.6160.8-80.40114.8G1164 D1168G1164-K1166 PolarHBondContact O-N 3.05Å; K1166-D1168 WeakPolarHBondContact CE-OD1 3.43Å; K1166-D1168 IonicContact NZ-OD1 2.64Å; K1166-D1168 PolarHBondContact NZ-OD1 2.82Å; K1166-D1168 IonicContact NZ-OD2 2.65Å; K1166-D1168 PolarHBondContact NZ-OD2 3.31Å; K1166-D1168 PolarHBondContact O-N 3.05Å
1167G40.3Very low38.9Very low83 Ų83127.1 Ų127.186%0.85678%0.775SS**  trans-60.3106163.500000110.5E1165 R1169E1165-G1167 PolarHBondContact O-N 3.11Å; G1167-R1169 PolarHBondContact O-N 3.34Å
1168D36.7Very low39.2Very low116 Ų116122.5 Ų122.562%0.6276%0.762SS**  trans-74.494.7176.8-93.5-49000110.7K1166K1166-D1168 WeakPolarHBondContact CE-OD1 3.43Å; K1166-D1168 IonicContact NZ-OD1 2.64Å; K1166-D1168 PolarHBondContact NZ-OD1 2.82Å; K1166-D1168 IonicContact NZ-OD2 2.65Å; K1166-D1168 PolarHBondContact NZ-OD2 3.31Å; K1166-D1168 PolarHBondContact O-N 3.05Å
1169R43.8Very low39.5Very low207 Ų207125.3 Ų125.378%0.78177%0.772SS**  32100127.8-176.5-175-177.3177.1-2.1114.6G1167 E1171G1167-R1169 PolarHBondContact O-N 3.34Å; R1169-E1171 PolarHBondContact O-N 2.79Å
1170G41.2Very low39.6Very low75 Ų75126 Ų12677%0.77377%0.768SS**PPolyproline II helixtrans-54.1130.2156.900000110
1171E32.3Very low39.6Very low178 Ų178124.3 Ų124.383%0.83277%0.765SS**PPolyproline II helixtrans-70153.2174.7-61.5-155.4115.100110.5R1169R1169-E1171 PolarHBondContact O-N 2.79Å
1172A43.2Very low39.8Very low93 Ų93127 Ų12777%0.76977%0.768SS**PPolyproline II helixtrans-77138.1-179.700000109.6D1174A1172-D1174 PolarHBondContact O-N 3.18Å
1173G42.1Very low39.8Very low75 Ų75126.6 Ų126.677%0.77377%0.774SS**PPolyproline II helixtrans-57.6128.3172.800000110.9
1174D33.6Very low39.3Very low169 Ų169123.3 Ų123.390%0.90477%0.773SS**PPolyproline II helixtrans-65.8138.6-174.6-112.9-36.2000112A1172 G1176A1172-D1174 PolarHBondContact O-N 3.18Å; D1174-G1176 PolarHBondContact O-N 2.92Å
1175I42.5Very low39.5Very low154 Ų154128.2 Ų128.279%0.7978%0.779SS**  trans-80.9115.7-175.1-63.2172.4000108.9
1176G41.6Very low39.6Very low55 Ų55129.6 Ų129.657%0.56778%0.782SS**PPolyproline II helixtrans-52.5135.1175.600000112.3D1174D1174-G1176 PolarHBondContact O-N 2.92Å
1177P38.9Very low39.2Very low126 Ų126126.2 Ų126.282%0.81879%0.788SS**PPolyproline II helixtrans-64.2124.5-17123.8-33.7000111.7
1178P43Very low39.2Very low97 Ų97134 Ų13463%0.6379%0.792SS**PPolyproline II helixtrans-77.1145.1-173.430-35.5000113
1179S39.3Very low39.5Very low120 Ų120137.6 Ų137.684%0.83981%0.805SS**PPolyproline II helixtrans-66.7129.8172.8-179.10000112.3
1180Y38.5Very low39.1Very low205 Ų205131.2 Ų131.280%0.80480%0.803SS**PPolyproline II helixtrans-96.2128.1158.1-63-100.7000105.9
1181T38.4Very low38.9Very low125 Ų125136.2 Ų136.277%0.76781%0.811SS**  -152166.750.362.70000110
1182T42.1Very low39.4Very low128 Ų128136.7 Ų136.779%0.78581%0.813SS**  cis-141.5153.115.147.20000111.8
1183A37.2Very low39.5Very low105 Ų105134.8 Ų134.887%0.86880%0.803SS**  trans-73.9155.2167.800000112.6
1184G35.1Very low39.7Very low71 Ų71137.8 Ų137.873%0.73281%0.809SS**  cis161.3164.2-5.400000112.3
1185L38.8Very low40Very low187 Ų187138.7 Ų138.798%0.97981%0.808SS**  trans-128.6145.6169-81.7176.7000111
1186K38.6Very low39.9Very low208 Ų208134.4 Ų134.490%0.90480%0.802SS**  trans-97.3113.4-165.5178.9-176.2176.6-178.90111.9
1187G36.9Very low39.6Very low74 Ų74141.7 Ų141.776%0.76382%0.821SS**  trans56.4124.4146.400000118.8
1188R39.8Very low39.6Very low245 Ų245144.9 Ų144.993%0.92583%0.825SS**  trans-109130.9149.6-155.2173.1-170.5-179.50.8107.8
1189E42Very low39.7Very low193 Ų193143.4 Ų143.490%0.90283%0.827SS**  trans-67.5154.5177.4-69.7162.3128.700110.3
1190G36.3Very low39.5Very low72 Ų72147.2 Ų147.274%0.74283%0.832SS**  trans-74.4171.9-161.800000115.6E1192G1190-E1192 PolarHBondContact O-N 3.19Å
1191L37.8Very low39.5Very low181 Ų181141.9 Ų141.995%0.94883%0.83SS**  trans-82.8100.4157.1-69.5177.8000108.3
1192E41.2Very low39.3Very low187 Ų187139.3 Ų139.387%0.87483%0.828SS**  trans-57.8132.6159.4-167.9167.5-151.200108.2G1190G1190-E1192 PolarHBondContact O-N 3.19Å
1193G45.7Very low39Very low54 Ų54141 Ų14156%0.55783%0.833SS**  trans-72.6173.8-165.200000114.6Q1195G1193-Q1195 VanDerWaalsContact C-N 3.26Å; G1193-Q1195 PolarHBondContact O-N 3.07Å
1194P45.8Very low38.9Very low138 Ų138142.3 Ų142.390%0.89684%0.835SS**  trans-65.587.516629.3-34000110G1196P1194-G1196 PolarHBondContact O-N 3.06Å
1195Q41.5Very low38.8Very low188 Ų188142.3 Ų142.388%0.87984%0.836SS**  trans-56.6118.3168.6-178.2-178.6-6.800108.8G1193G1193-Q1195 VanDerWaalsContact C-N 3.26Å; G1193-Q1195 PolarHBondContact O-N 3.07Å
1196G38.8Very low38.5Very low64 Ų64142.1 Ų142.166%0.6683%0.83SS**  trans-72.6157.9-166.200000115.3P1194 Q1198P1194-G1196 PolarHBondContact O-N 3.06Å; G1196-Q1198 PolarHBondContact O-N 2.9Å
1197E36.5Very low38.2Very low208 Ų208141.4 Ų141.497%0.97283%0.829SS**  trans-71.296.2164.3-73.9-150.7125.700110.4G1199E1197-G1199 PolarHBondContact O-N 3.39Å
1198Q39.2Very low38.1Very low193 Ų193141.7 Ų141.790%0.90283%0.832SS**  trans-57.2121.4169.8177.3-175.8-12.400111.3G1196G1196-Q1198 PolarHBondContact O-N 2.9Å
1199G43.6Very low38Very low66 Ų66139 Ų13968%0.6883%0.83SS**  trans-82-175-176.400000116.2E1197E1197-G1199 PolarHBondContact O-N 3.39Å
1200Q35.6Very low37.5Very low200 Ų200136 Ų13694%0.93583%0.831SS**  trans-148.7157.2170.3-67.7-172.5-4.900110.5
1201A38.1Very low37.4Very low93 Ų93136.6 Ų136.677%0.76984%0.837SS**  cis-178.4132.5-31.600000108.2
1202G34.4Very low37.4Very low70 Ų70135.9 Ų135.972%0.72283%0.832SS**  trans75155.717300000115.3
1203D36.3Very low37.8Very low165 Ų165133 Ų13388%0.88283%0.83SS**  cis-140.7167.20.1-81-35.4000111.1
1204S35.1Very low37.2Very low131 Ų131133.2 Ų133.292%0.91683%0.832SS**  trans-63.1148.2-173.4-46.10000115.9
1205G33.2Very low36.4Very low72 Ų72135.3 Ų135.374%0.74283%0.829SS**  trans173118.8160.500000115.7
1206E31.4Very low36.1Very low183 Ų183135.3 Ų135.386%0.85583%0.83SS**  trans36112.3149.2-66.6177.1177.800119.1
1207Q32.7Very low35.8Very low192 Ų192135.2 Ų135.290%0.89783%0.829SS**  68.2111.186-174.7-169.2-1800114.7
1208G34.7Very low35.6Very low80 Ų80132.7 Ų132.783%0.82582%0.822SS**  trans155.3123.1162.800000114.6
1209E37.9Very low35.8Very low188 Ų188132.9 Ų132.988%0.87982%0.823SS**  trans-82.6150.4174.4-56.4163.2102.100112.2
1210S31.8Very low35.6Very low132 Ų132132.7 Ų132.792%0.92382%0.82SS**  trans160.6136.2136.8-75.60000111.3
1211G34.4Very low35.3Very low83 Ų83130.4 Ų130.486%0.85682%0.815SS**  trans147.986.8161.200000117.5
1212I38.6Very low35.3Very low167 Ų167135.8 Ų135.886%0.85682%0.824SS**  trans-121.7160.6150.723.7169.7000107.3
1213P47.8Very low35.3Very low127 Ų127135.8 Ų135.883%0.82582%0.823SS**  cis-128.4-157.8-19.137.5-18.7000111.3
1214G33.7Very low35Very low58 Ų58136 Ų13660%0.59882%0.824SS**  trans157.499.1167.800000110
1215E30.4Very low35Very low181 Ų181136.6 Ų136.685%0.84682%0.822SS**  67.5104.885.2-70.5175.3175.900110.8
1216E35Very low35.1Very low189 Ų189136.3 Ų136.388%0.88382%0.819SS**  86.3127.588.3-171-178.7-132.300110.8
1217G31.9Very low35.5Very low62 Ų62137.3 Ų137.364%0.63982%0.824SS**  cis-176.8-126.7000000111
1218D32.1Very low35.7Very low155 Ų155132.4 Ų132.483%0.82982%0.816SS**  trans70119.8165-60.7-18.2000120.6
1219Q42.4Very low35.7Very low197 Ų197132.8 Ų132.892%0.92182%0.82SS**  trans72.1125.4138.2-160.9172.62400119.2
1220G39.5Very low35.5Very low61 Ų61132.7 Ų132.763%0.62982%0.82SS**  cis168.6164.2-5.600000112.9
1221D30.4Very low35.7Very low153 Ų153133.5 Ų133.582%0.81881%0.812SS**  trans29.595.6153.9-41.3-31.1000119
1222E39Very low35.7Very low206 Ų206132.8 Ų132.896%0.96381%0.805SS**  trans-179.6150.5133.3-101.9167.6-164.900110.2
1223G34.4Very low35.5Very low69 Ų69128 Ų12871%0.71178%0.783SS**  cis-134.9136.90.900000112.7
1224L29.2Very low35.6Very low169 Ų169124.6 Ų124.689%0.88576%0.761SS**  trans-76.7129.6156-76.5169.8000108.4
1225T34.3Very low35.6Very low145 Ų145122.6 Ų122.689%0.8974%0.74SS**  trans68144.3161.7-46.40000114.9
1226G35.4Very low35.7Very low65 Ų65120.7 Ų120.767%0.6774%0.735SS**  cis-171.6-170.9-4.200000109.7
1227E41.2Very low36Very low204 Ų204120.1 Ų120.195%0.95373%0.733SS**  trans-70.8144.8-177-59.9-178.8116.900113.4
1228A35.7Very low36.3Very low90 Ų90118.2 Ų118.274%0.74471%0.713SS**  trans-160104.5158.400000112.3E1230A1228-E1230 VanDerWaalsContact C-N 3.28Å; A1228-E1230 PolarHBondContact O-N 2.89Å; A1228-E1230 VanDerWaalsContact O-N 3.07Å
1229G34.6Very low36.5Very low88 Ų88114.6 Ų114.691%0.90769%0.693SS**SBendtrans-78.171.2164.300000112.4
1230E33.5Very low36.3Very low185 Ų185112.2 Ų112.286%0.86469%0.685SS**  trans57.4112.8173.2-66.3-151.5128.300120.5A1228A1228-E1230 VanDerWaalsContact C-N 3.28Å; A1228-E1230 PolarHBondContact O-N 2.89Å; A1228-E1230 VanDerWaalsContact O-N 3.07Å
1231I35.9Very low36.3Very low150 Ų150111.9 Ų111.977%0.76968%0.682SS**  trans-48.2144.1144.8-68.8166.9000110.2T1233I1231-T1233 HydrophobicContact CG2-CG2 3.95Å
1232G35.6Very low36.4Very low68 Ų68107.7 Ų107.770%0.70166%0.664SS**  cis170.8-143.99.500000111.9
1233T33.1Very low36.7Very low66 Ų66104 Ų10441%0.40565%0.646SS.*  cis-154.1169.933.647.90000112.1R271 I1231R271-T1233 WeakPolarHBondContact CA-O 3.46Å; R271-T1233 VanDerWaalsContact CB-O 3.3Å; R271-T1233 WeakPolarHBondContact CB-O 3.12Å; R271-T1233 PolarHBondContact N-O 3.19Å; R271-T1233 VanDerWaalsContact N-O 3.11Å; I1231-T1233 HydrophobicContact CG2-CG2 3.95Å
1234P51.3Low36.7Very low56 Ų56104.1 Ų104.136%0.36465%0.648SS.*  trans-134.2146.3-145.543.8-30.3000118.7R271 Q273R271-P1234 VanDerWaalsContact CG-C 3.41Å; R271-P1234 WeakPolarHBondContact CG-O 3.26Å; R271-P1234 PolarHBondContact NE-O 2.97Å; R271-P1234 PolarHBondContact NH2-O 2.89Å; Q273-P1234 HydrophobicContact CG-CB 4.09Å; Q273-P1234 PolarHBondContact OE1-O 3.23Å
1235G32Very low36.6Very low15 Ų15101.5 Ų101.516%0.15564%0.635CS.*  trans152.6114.2173.800000114.2R271 G272R271-G1235 CarbonylContact C-O 3.53Å; R271-G1235 VanDerWaalsContact O-O 3.13Å; G272-G1235 VanDerWaalsContact C-C 3.47Å; G272-G1235 PolarHBondContact N-O 2.86Å; G272-G1235 CarbonylContact O-C 3.45Å
1236L33.6Very low37.1Very low141 Ų141104.3 Ų104.374%0.73864%0.637SS**  -116.111374.3-61.3179.4000113.6G272 Q273 A274G272-L1236 PolarHBondContact O-N 2.97Å; Q273-L1236 CarbonylContact C-O 3.59Å; Q273-L1236 VanDerWaalsContact CB-O 3.31Å; Q273-L1236 WeakPolarHBondContact CB-O 3.3Å; A274-L1236 WeakPolarHBondContact CB-O 3.2Å; A274-L1236 PolarHBondContact N-O 3.32Å
1237E41.6Very low37.7Very low178 Ų178104.6 Ų104.683%0.83264%0.64SS**  trans-45.2143.7167.3-177.4177175.900114
1238G36.8Very low37.6Very low22 Ų22100.5 Ų100.523%0.22763%0.631CS.*  trans-161.4155.6173.900000112.9D276D276-G1238 WeakPolarHBondContact OD1-CA 3.5Å
1239D36.3Very low37.5Very low78 Ų78103.3 Ų103.342%0.41764%0.639SS.*  trans-79172.8-1653.9-97.9000115.2D276 I277D276-D1239 HydrophobicContact CB-CB 4.29Å; D276-D1239 WeakPolarHBondContact CB-OD2 3.49Å; D276-D1239 PolarHBondContact N-O 2.71Å; D276-D1239 PolarHBondContact OD1-N 2.78Å; I277-D1239 WeakPolarHBondContact CA-OD2 3.34Å; I277-D1239 WeakPolarHBondContact CB-OD2 3.47Å; I277-D1239 WeakPolarHBondContact CD1-OD2 3.48Å; I277-D1239 WeakPolarHBondContact CG1-OD2 3.29Å
1240I38.7Very low37.4Very low147 Ų147102.3 Ų102.375%0.75463%0.629SS**  cis157.7-6.516.1-57.4165.5000113.7G278G278-I1240 VanDerWaalsContact O-O 3.1Å
1241G38.9Very low37.5Very low54 Ų54102.5 Ų102.556%0.55763%0.63SS**  trans120.1-155.3-167.700000111I277I277-G1241 CarbonylContact C-O 3.39Å; I277-G1241 VanDerWaalsContact O-O 3.1Å
1242P33.7Very low37.8Very low66 Ų66104.7 Ų104.743%0.42964%0.637SS.*  cis-140.3-153.5-5.946.4-27.6000113.1G278 P279 G1244G278-P1242 VanDerWaalsContact CA-CD 3.5Å; G278-P1242 VanDerWaalsContact CA-CG 3.43Å; P279-P1242 VanDerWaalsContact C-CB 3.46Å; P279-P1242 VanDerWaalsContact N-CB 3.33Å; P279-P1242 WeakPolarHBondContact O-CB 3.47Å; P279-P1242 VanDerWaalsContact O-CG 3.31Å; P279-P1242 WeakPolarHBondContact O-CG 3.31Å; P1242-G1244 PolarHBondContact O-N 3.28Å
1243E45.5Very low38.3Very low128 Ų128105 Ų10560%0.59864%0.639SS**  trans-57.1124.4161.8-172.5-172.3150.900112N1245E1243-N1245 WeakPolarHBondContact CG-OD1 3.47Å; E1243-N1245 PolarHBondContact OE1-ND2 3.4Å
1244G33.1Very low38.6Very low72 Ų72106.8 Ų106.874%0.74266%0.655SS**  trans-145.611.1-167.200000117.4P1242P1242-G1244 PolarHBondContact O-N 3.28Å
1245N28.1Very low38.2Very low114 Ų114113.6 Ų113.661%0.6168%0.682SS**  trans21116.4159.3-52.2-16.5000120E1243E1243-N1245 WeakPolarHBondContact CG-OD1 3.47Å; E1243-N1245 PolarHBondContact OE1-ND2 3.4Å
1246E43.9Very low38.7Very low203 Ų203115.5 Ų115.595%0.94970%0.702SS**  trans50.9119.2157.6-61.5-170.9110.200119.9
1247G48.7Very low38.9Very low71 Ų71115.8 Ų115.873%0.73270%0.704SS**  129.9-170.892.400000110.8
1248P39Very low38.7Very low118 Ų118114.2 Ų114.277%0.76671%0.706SS**  cis-140.2155.512.440.5-22.5000117.8
1249V33.2Very low38.6Very low150 Ų150116.2 Ų116.291%0.90973%0.727SS**  trans49.1129.5140.2-177.80000119.3
1250G33.7Very low38.6Very low67 Ų67118 Ų11869%0.69173%0.734SS**  cis-172.7-171.27.700000109.6
1251E34.3Very low38.4Very low189 Ų189119.4 Ų119.488%0.88374%0.741SS**  cis-135.9151.625-58.2-172.312100114.1
1252Q42.5Very low38Very low196 Ų196117.5 Ų117.592%0.91672%0.721SS**  trans21.5116.9138.7-170.4-171.3-60.400120.6
1253G46.3Very low38Very low73 Ų73117.6 Ų117.675%0.75373%0.728SS**  trans108.9136.6157.500000113.6
1254S39.8Very low37.3Very low105 Ų105120.7 Ų120.773%0.73474%0.735SS**  cis-149122.7-8.841.30000106.6
1255E42.5Very low37.3Very low199 Ų199119.7 Ų119.793%0.9373%0.725SS**  6288.885-168.7171.2-160.700110.7
1256G42.8Very low37.2Very low55 Ų55119.7 Ų119.757%0.56773%0.731SS**  trans139121.3176.800000111.5
1257D38.2Very low36.7Very low147 Ų147119.3 Ų119.379%0.78673%0.729SS**  cis-143.5153-17.2-83.5-59.7000107.1
1258V37.9Very low36.1Very low145 Ų145118.3 Ų118.388%0.87972%0.719SS**  cis72.233.629-159.60000113.5
1259G34.4Very low35.6Very low64 Ų64122 Ų12266%0.6673%0.726SS**  trans-169.7146.3164.600000110.8
1260M35.2Very low35.4Very low114 Ų114121.6 Ų121.656%0.56271%0.712SS**  cis-150.7131.6-11.4-135.7172.57200110.8D221 G1262D221-M1260 HydrophobicContact CB-CE 4.15Å; D221-M1260 VanDerWaalsContact OD1-CE 3.23Å; D221-M1260 WeakPolarHBondContact OD1-CE 3.27Å; D221-M1260 VanDerWaalsContact OD2-CE 3.31Å; D221-M1260 WeakPolarHBondContact OD2-CE 3.32Å; M1260-G1262 PolarHBondContact O-N 3.05Å
1261I34.1Very low35.4Very low177 Ų177121.1 Ų121.191%0.90871%0.707SS**  trans-82.383.9152.8-63.9177.6000105.7
1262G31.9Very low35.1Very low14 Ų14121.1 Ų121.114%0.14471%0.707CS.*  trans-73.3122.9163.600000108.5M1260M1260-G1262 PolarHBondContact O-N 3.05Å
1263A33.7Very low34.9Very low68 Ų68116.2 Ų116.256%0.56269%0.692SS**  82.5114.754.200000112.4
1264Y30.2Very low34.1Very low193 Ų193114 Ų11476%0.75767%0.669SS**SBendtrans-76.8140.3163.1-107.7-79.7000108.7L218L218-Y1264 HydrophobicContact CD1-CD2 3.67Å; L218-Y1264 HydrophobicContact CD1-CE2 3.98Å; L218-Y1264 HydrophobicContact CD1-CG 4.31Å; L218-Y1264 HydrophobicContact CD2-CD1 3.99Å; L218-Y1264 HydrophobicContact CD2-CD2 3.8Å; L218-Y1264 HydrophobicContact CD2-CE1 4.07Å; L218-Y1264 HydrophobicContact CD2-CE2 3.86Å; L218-Y1264 HydrophobicContact CD2-CG 3.84Å; L218-Y1264 HydrophobicContact CG-CD2 4.06Å; L218-Y1264 HydrophobicContact CG-CE2 3.97Å
1265G32.5Very low33.9Very low51 Ų51115.5 Ų115.553%0.52667%0.668SS.*  trans91.1135.5174.500000111.9
1266P27.6Very low33.6Very low114 Ų114111.1 Ų111.174%0.7464%0.643SS**  cis-63.5149.59.620.7-32000115.4G1268P1266-G1268 VanDerWaalsContact CB-CA 3.44Å
1267E32.5Very low33.2Very low195 Ų195110.4 Ų110.491%0.91164%0.636SS**  cis25.483.913.6-165164.1-166.400113.6
1268G35.1Very low33.1Very low50 Ų50109.2 Ų109.252%0.51563%0.629SS.*  trans-53.3165.4-166.100000115.1P1266 K1270P1266-G1268 VanDerWaalsContact CB-CA 3.44Å; G1268-K1270 PolarHBondContact O-N 2.98Å
1269E30.3Very low32.9Very low197 Ų197107.7 Ų107.792%0.92162%0.621SS**  trans-61.183.9135.8-68.6-153133.900108G1271E1269-G1271 PolarHBondContact O-N 3.49Å; E1269-G1271 VanDerWaalsContact O-N 3.12Å
1270K28.1Very low32.9Very low141 Ų141108 Ų10861%0.61362%0.623SS**  trans-21.5111.3139.9167.2172170.8145.90108.8E306 G1268E306-K1270 VanDerWaalsContact OE1-CE 3.3Å; E306-K1270 WeakPolarHBondContact OE1-CE 3.4Å; E306-K1270 IonicContact OE1-NZ 2.66Å; E306-K1270 PolarHBondContact OE1-NZ 3.46Å; E306-K1270 WeakPolarHBondContact OE2-CE 3.18Å; E306-K1270 IonicContact OE2-NZ 2.72Å; E306-K1270 PolarHBondContact OE2-NZ 3.15Å; G1268-K1270 PolarHBondContact O-N 2.98Å
1271G33.7Very low33.2Very low56 Ų56111.8 Ų111.858%0.57764%0.64SS**  trans-70-174.3-161.900000115.1E1269E1269-G1271 PolarHBondContact O-N 3.49Å; E1269-G1271 VanDerWaalsContact O-N 3.12Å
1272E27.2Very low33.2Very low189 Ų189107.7 Ų107.788%0.88363%0.633SS**SBendtrans-48.3139159.6-96.3-9410400109.6
1273P39Very low33.6Very low94 Ų94111.5 Ų111.561%0.6166%0.662SS**PPolyproline II helixtrans-77142.4-144.7-19.934000112.2L1275P1273-L1275 PolarHBondContact O-N 3.15Å
1274G29.3Very low33.8Very low25 Ų25114.2 Ų114.226%0.25867%0.672SS.*PPolyproline II helixtrans-55.2130.6165.100000109.9E306 K307 R1276E306-G1274 VanDerWaalsContact CA-O 3.27Å; E306-G1274 WeakPolarHBondContact CA-O 3.35Å; K307-G1274 PolarHBondContact N-O 3.46Å; G1274-R1276 VanDerWaalsContact C-N 3.32Å; G1274-R1276 PolarHBondContact O-N 2.87Å
1275L35.2Very low34.2Very low138 Ų138111.6 Ų111.672%0.72367%0.671SS**  trans-75.479.6167.9-146.7-168.7000112.4K307 P1273K307-L1275 VanDerWaalsContact CB-C 3.48Å; K307-L1275 VanDerWaalsContact CB-N 3.33Å; K307-L1275 WeakPolarHBondContact CB-O 3.48Å; P1273-L1275 PolarHBondContact O-N 3.15Å
1276R37.6Very low33.9Very low106 Ų106113.1 Ų113.140%0.467%0.673SS.*  trans49.8100151.9-159.6-169.7-153.896.5-0.4119.1I304 G305 E306 G1274 D1278I304-R1276 HydrophobicContact CG2-CG 4.34Å; I304-R1276 VanDerWaalsContact CG2-CZ 3.48Å; I304-R1276 VanDerWaalsContact CG2-NH2 3.26Å; I304-R1276 PolarHBondContact O-NH1 3.38Å; G305-R1276 WeakPolarHBondContact O-CA 3.42Å; G305-R1276 WeakPolarHBondContact O-CB 3.41Å; G305-R1276 PolarHBondContact O-N 3.28Å; E306-R1276 VanDerWaalsContact C-N 3.33Å; G1274-R1276 VanDerWaalsContact C-N 3.32Å; G1274-R1276 PolarHBondContact O-N 2.87Å; R1276-D1278 WeakPolarHBondContact CD-OD1 3.18Å; R1276-D1278 IonicContact NE-OD1 3.78Å; R1276-D1278 PolarHBondContact NE-OD1 2.99Å; R1276-D1278 VanDerWaalsContact NE-OD1 3.1Å; R1276-D1278 IonicContact NE-OD2 3.1Å; R1276-D1278 PolarHBondContact O-N 3.41Å; R1276-D1278 VanDerWaalsContact O-N 3.16Å
1277G33.2Very low34.3Very low40 Ų40112.8 Ų112.841%0.41267%0.673SS.*  trans-66.3103146.600000110.9E306 T1279E306-G1277 PolarHBondContact O-N 2.95Å; G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.24Å; G1277-T1279 PolarHBondContact O-OG1 3.02Å
1278D35.9Very low34.1Very low122 Ų122110.3 Ų110.365%0.65267%0.665SS**  trans-77.890.8151.1-75.2-20.7000105.7R1276R1276-D1278 WeakPolarHBondContact CD-OD1 3.18Å; R1276-D1278 IonicContact NE-OD1 3.78Å; R1276-D1278 PolarHBondContact NE-OD1 2.99Å; R1276-D1278 VanDerWaalsContact NE-OD1 3.1Å; R1276-D1278 IonicContact NE-OD2 3.1Å; R1276-D1278 PolarHBondContact O-N 3.41Å; R1276-D1278 VanDerWaalsContact O-N 3.16Å
1279T33.9Very low34Very low114 Ų114111.6 Ų111.670%0.69968%0.678SS**  7898.573.5-670000112.9G1277G1277-T1279 VanDerWaalsContact C-N 3.34Å; G1277-T1279 PolarHBondContact O-N 3.24Å; G1277-T1279 PolarHBondContact O-OG1 3.02Å
1280G34.3Very low34.5Very low69 Ų69107.9 Ų107.971%0.71167%0.671SS**  trans43.6123.9136.800000122
1281E42.6Very low34.4Very low194 Ų194111.5 Ų111.591%0.90769%0.687SS**  -133.8123.6105.4-78.5-169.7148.300107.3
1282A32.7Very low34.2Very low92 Ų92112 Ų11276%0.7669%0.691SS**  cis89.9147.947.400000113.4
1283A41.1Very low34.1Very low93 Ų93113.2 Ų113.277%0.76969%0.694SS**  trans71.6129.5-17200000115.9
1284T38.7Very low33.8Very low125 Ų125115.6 Ų115.677%0.76770%0.697SS**  cis-158150.1-5.35.90000113
1285N38Very low34Very low138 Ų138115 Ų11574%0.73869%0.691SS**  5.6144.8126.4-76.1-15.8000118.6
1286C25.7Very low33.9Very low83 Ų83116.2 Ų116.256%0.56169%0.686SS**  cis-174169.4-8.8-120.60000107.7I1288C1286-I1288 WeakPolarHBondContact SG-CD1 3.44Å
1287S35.2Very low33.7Very low107 Ų107116.7 Ų116.775%0.74870%0.696SS**  cis-134.7131.413.3-52.10000109
1288I28.5Very low33.6Very low144 Ų144116.9 Ų116.974%0.73870%0.697SS**  60.8117.673.2-63.3-172.2000113.4C1286C1286-I1288 WeakPolarHBondContact SG-CD1 3.44Å
1289G33.6Very low34.2Very low77 Ų77116.8 Ų116.879%0.79470%0.704SS**  trans-178.775.5171.200000111.9
1290P41.8Very low34.3Very low119 Ų119119.9 Ų119.977%0.77372%0.715SS**  trans-89.3-174.4-174.437.8-37.4000113.5
1291K25.6Very low34.2Very low217 Ų217119.8 Ų119.894%0.94371%0.714SS**  trans86.1123.1173.8-159.3177.7-174.3175.90114.1
1292G29.6Very low33.9Very low65 Ų65118.8 Ų118.867%0.6771%0.714SS**  cis159.2174.2-7.700000112.5
1293K25.1Very low34.7Very low215 Ų215120 Ų12094%0.93571%0.714SS**  trans58.8148.3170.2-61.1-167.2177-168.80116
1294Q31.1Very low34.8Very low145 Ų145118.7 Ų118.768%0.67871%0.709SS**  -170.7-163.455.7-157.1-148.3-67.100113.2S213S213-Q1294 VanDerWaalsContact CB-O 3.3Å; S213-Q1294 WeakPolarHBondContact CB-O 3.34Å
1295G35.4Very low35.3Very low13 Ų13119 Ų11913%0.13471%0.713CS.*  trans-179.3-160.8146.200000112.5S213 A215S213-G1295 CarbonylContact O-C 3.58Å; S213-G1295 WeakPolarHBondContact O-CA 3.34Å; A215-G1295 WeakPolarHBondContact CB-O 3.46Å
1296R31.8Very low35.9Very low163 Ų163121.4 Ų121.462%0.61572%0.72SS**  cis-80.2-175.6-23.7-116.4175.7173.5118.9-11.1107.6S213 A215S213-R1296 CarbonylContact O-C 3.46Å; S213-R1296 WeakPolarHBondContact O-CA 3.33Å; A215-R1296 HydrophobicContact CB-CB 4.2Å; A215-R1296 VanDerWaalsContact N-CG 3.35Å; A215-R1296 WeakPolarHBondContact O-CD 3.24Å; A215-R1296 PolarHBondContact O-NH1 3.4Å
1297L32.8Very low37.1Very low116 Ų116119.9 Ų119.961%0.60772%0.718SS**  cis-156.4167.81.2-120.1151.9000102.7E212E212-L1297 WeakPolarHBondContact CB-O 3.2Å
1298G31.5Very low37.8Very low43 Ų43120.6 Ų120.644%0.44372%0.721SS.*  cis174.9-145.123.900000114.5
1299P48.2Very low39.2Very low121 Ų121119.6 Ų119.679%0.78672%0.724SS**  trans-99.5156.6-154.737.4-37000116.3
1300L37Very low40Very low179 Ų179119.3 Ų119.394%0.93772%0.72SS**  trans-146.2136.7153.7-153.271.5000111.1
1301G32.8Very low40.1Very low67 Ų67121.5 Ų121.569%0.69173%0.725SS**PPolyproline II helixtrans-58.7159-155.300000119.6P1303G1301-P1303 WeakPolarHBondContact O-CD 3.25Å
1302L35.6Very low41.2Very low172 Ų172120.5 Ų120.590%0.90172%0.724SS**PPolyproline II helixtrans-58.2126.3159.9-71.4167.9000109.6
1303P48.8Very low42.1Very low119 Ų119120.5 Ų120.577%0.77372%0.724SS**PPolyproline II helixtrans-60136.4154.5-15.230.6000108G1301G1301-P1303 WeakPolarHBondContact O-CD 3.25Å
1304G44.1Very low43Very low64 Ų64118.3 Ų118.366%0.6672%0.722SS**PPolyproline II helixtrans-58.4149.218000000111.9Q1306G1304-Q1306 PolarHBondContact O-N 2.04Å
1305P48.3Very low44.1Very low132 Ų132117.4 Ų117.486%0.85773%0.728SS**PPolyproline II helixtrans-55.8127.1178.723.8-33.5000109.8G1307P1305-G1307 PolarHBondContact O-N 2.91Å
1306Q51.2Low44.6Very low188 Ų188120.3 Ų120.388%0.87976%0.758SS**PPolyproline II helixtrans-61.6121.8172.4-179.7172.4-17.300107.7G1304G1304-Q1306 PolarHBondContact O-N 2.04Å
1307G51.5Low45.1Very low51 Ų51120.8 Ų120.853%0.52677%0.772SS.*PPolyproline II helixtrans-55.8151.3-17900000111.7P1305P1305-G1307 PolarHBondContact O-N 2.91Å
1308P49.4Very low45.9Very low122 Ų122126.7 Ų126.779%0.79279%0.787SS**PPolyproline II helixtrans-53.8138.6-176.722.4-33.6000110.5G1310P1308-G1310 PolarHBondContact O-N 2.75Å; P1308-G1310 VanDerWaalsContact O-N 3.1Å
1309P58.9Low46.6Very low124 Ų124127.7 Ų127.781%0.80580%0.796SS**PPolyproline II helixtrans-54.6119173.5-24.234.2000109.7
1310G49.1Very low46.3Very low70 Ų70133.6 Ų133.672%0.72280%0.803SS**PPolyproline II helixtrans-63.9142.3-179.700000111.5P1308P1308-G1310 PolarHBondContact O-N 2.75Å; P1308-G1310 VanDerWaalsContact O-N 3.1Å
1311D45Very low46.8Very low165 Ų165132.9 Ų132.988%0.88280%0.8SS**PPolyproline II helixtrans-51.1138.3-174.4-64.6-62.7000112.9G1313D1311-G1313 PolarHBondContact O-N 3.06Å
1312Q47.9Very low47.3Very low197 Ų197133 Ų13392%0.92180%0.801SS**  trans-7392.9-173.1-165.4172.817.800110.5
1313G47.9Very low47.6Very low65 Ų65131 Ų13167%0.6780%0.798SS**PPolyproline II helixtrans-51.3139.9-17800000113.5D1311D1311-G1313 PolarHBondContact O-N 3.06Å
1314L44Very low47.1Very low169 Ų169131.4 Ų131.489%0.88580%0.801SS**PPolyproline II helixtrans-50.7135.5-176.1-69170000112G1316L1314-G1316 PolarHBondContact O-N 3.17Å; L1314-G1316 VanDerWaalsContact O-N 3.16Å
1315P54.4Low46.7Very low125 Ų125131.9 Ų131.981%0.81281%0.806SS**PPolyproline II helixtrans-55.2120.1-177.2-28.535.7000113.4L1317P1315-L1317 PolarHBondContact O-N 3.18Å
1316G46.5Very low46Very low74 Ų74132.8 Ų132.876%0.76381%0.809SS**PPolyproline II helixtrans-59.6133-178.100000113L1314 R1318L1314-G1316 PolarHBondContact O-N 3.17Å; L1314-G1316 VanDerWaalsContact O-N 3.16Å; G1316-R1318 PolarHBondContact O-N 2.84Å
1317L41.3Very low45.4Very low173 Ų173127.2 Ų127.291%0.90680%0.802SS**PPolyproline II helixtrans-61.9121.6177.8-71.8173.9000110.7P1315 G1319P1315-L1317 PolarHBondContact O-N 3.18Å; L1317-G1319 PolarHBondContact O-N 2.9Å
1318R50.9Low44.6Very low241 Ų241130.6 Ų130.691%0.90981%0.812SS**  trans-49.3108.4-175.6-179.4-179.6177.6166.72.7112.8G1316G1316-R1318 PolarHBondContact O-N 2.84Å
1319G45.1Very low43.8Very low63 Ų63133 Ų13365%0.64982%0.817SS**PPolyproline II helixtrans-56.6143.5176.800000113.5L1317L1317-G1319 PolarHBondContact O-N 2.9Å
1320R42.9Very low42.8Very low245 Ų245130.5 Ų130.593%0.92581%0.814SS**PPolyproline II helixtrans-88.1138.7174.2-68.4173.366.5171.51.3110.3
1321D47.9Very low42.2Very low165 Ų165131.9 Ų131.988%0.88282%0.818SS**PPolyproline II helixtrans-57.8134-175.2-66-67.5000114.3
1322G42.2Very low42.4Very low69 Ų69130.2 Ų130.271%0.71182%0.816SS**PPolyproline II helixtrans-76134175.200000113
1323P43.1Very low41.9Very low129 Ų129124.5 Ų124.584%0.83881%0.81SS**PPolyproline II helixtrans-93.5146-167.235-36.6000115.4
1324P36.5Very low41.2Very low129 Ų129130 Ų13084%0.83882%0.818SS**  trans-129.4110.1156.833.6-18.4000112.8
1325G37.7Very low41Very low74 Ų74129 Ų12976%0.76381%0.813SS**  trans172.738.417900000122.1
1326V33.4Very low40Very low150 Ų150126.1 Ų126.191%0.90981%0.806SS**  trans17.7107.1160.2-170.60000118.5
1327G37.8Very low39.3Very low72 Ų72129 Ų12974%0.74280%0.804SS**  trans-141-5.2-167.300000123.4
1328V34.3Very low38.9Very low121 Ų121127.7 Ų127.773%0.73380%0.803SS**  trans62.5105.3161.8-171.10000120.7
1329I34.1Very low38.2Very low174 Ų174119.4 Ų119.489%0.89279%0.793SS**  trans59.4138.2142.6-55173.4000118.9
1330G37.2Very low37.6Very low71 Ų71125.1 Ų125.173%0.73280%0.802SS**  cis-174.8-161.98.700000113.7
1331A35.5Very low37.1Very low98 Ų98121.9 Ų121.981%0.8180%0.802SS**  trans-134.3-161.6-161.200000113.7
1332P50.7Low36.5Very low131 Ų131117.2 Ų117.285%0.85179%0.792SS**  -125.5-161.9-67.937.7-21.9000112.8
1333G36.9Very low36.5Very low76 Ų76122.4 Ų122.478%0.78480%0.803SS**  trans-163.6146.6165.100000113.5
1334E33.4Very low36.6Very low180 Ų180121.7 Ų121.784%0.84180%0.798SS**  trans-124.7171.9-170.8-62.4-177.5130.600114.4
1335L38.7Very low36.9Very low148 Ų148118.8 Ų118.878%0.77579%0.791SS**  trans71.8138.7158.7-10364.3000119.5
1336G33.8Very low36.7Very low65 Ų65124.9 Ų124.967%0.6780%0.8SS**  cis169.8176.2-7.700000116.9
1337D31.8Very low37.2Very low134 Ų134122 Ų12272%0.71779%0.792SS**  trans72.2135.9146-50-18.9000124.5
1338T33.7Very low37.6Very low147 Ų147122 Ų12290%0.90279%0.792SS**  trans85.1129156.8-25.70000117.9
1339G35.6Very low37.7Very low67 Ų67125.5 Ų125.569%0.69180%0.8SS**  cis-175.7-165.70.700000115.8
1340H31.7Very low38.9Very low182 Ų182123.6 Ų123.684%0.84380%0.799SS**  trans-73152.2-158.7-41.8-98.3000118.7
1341I32.7Very low39.4Very low178 Ų178123.8 Ų123.891%0.91380%0.801SS**  159.4137.9116-84.7167.8000111.1
1342G35.4Very low39.3Very low66 Ų66127.3 Ų127.368%0.6881%0.806SS**  trans136.5114.9157.600000115.3
1343L41.9Very low39.2Very low179 Ų179130.3 Ų130.394%0.93781%0.809SS**  trans-98.8123.5167.9-73.6168.1000110.2
1344P45.4Very low39.8Very low113 Ų113129.2 Ų129.273%0.73480%0.798SS**  trans-84.1154.2145.13.517.3000109
1345G43Very low39.9Very low68 Ų68123.7 Ų123.770%0.70178%0.778SS**  cis121.1106.210.900000108.6
1346E33.5Very low40.4Very low203 Ų203124.9 Ų124.995%0.94978%0.779SS**PPolyproline II helixtrans-55.5138.9-166.5-63.6175.5133.700113.5
1347A44.3Very low40.9Very low90 Ų90124.4 Ų124.474%0.74477%0.774SS**PPolyproline II helixtrans-79.2126.9-179.900000110.9
1348G45.7Very low41.2Very low71 Ų71124.5 Ų124.573%0.73278%0.782SS**PPolyproline II helixtrans-81.3167.2173.900000113.1
1349E36.5Very low41.6Very low195 Ų195123 Ų12391%0.91178%0.778SS**PPolyproline II helixtrans-59.5142.4-176.1-60179.6131.200113G1351E1349-G1351 PolarHBondContact O-N 3.36Å
1350P60.3Low41.7Very low134 Ų134123.7 Ų123.787%0.8778%0.784SS**PPolyproline II helixtrans-63.6131177.3-22.233.9000112.9
1351G46.6Very low41.7Very low74 Ų74122.6 Ų122.676%0.76378%0.784SS**PPolyproline II helixtrans-88.9148.5178.300000114.2E1349E1349-G1351 PolarHBondContact O-N 3.36Å
1352D33.8Very low41.9Very low173 Ų173118.7 Ų118.793%0.92578%0.778SS**PPolyproline II helixtrans-56.2140-176.7-59.4-59.7000114.4
1353Q49.6Very low41.9Very low193 Ų193120.1 Ų120.190%0.90278%0.784SS**PPolyproline II helixtrans-87.5132.1174.8-174.2172-24.500112.7
1354G48.3Very low41.6Very low54 Ų54119.4 Ų119.456%0.55778%0.78SS**PPolyproline II helixtrans-73.7169.9178.400000116.3
1355P36.5Very low41.2Very low64 Ų64121.1 Ų121.142%0.41679%0.789SS.*  trans-113.2171.2-142.63.921.9000115.3T581T581-P1355 VanDerWaalsContact O-CB 3.29Å; T581-P1355 WeakPolarHBondContact O-CB 3.45Å; T581-P1355 WeakPolarHBondContact O-CG 3.34Å
1356E47.3Very low41Very low173 Ų173121.4 Ų121.481%0.80879%0.792SS**  trans-80.9153.6-162-166.9175.9-138.400116.4T581T581-E1356 WeakPolarHBondContact CB-O 3.33Å; T581-E1356 WeakPolarHBondContact CG2-O 3.3Å; T581-E1356 PolarHBondContact OG1-O 2.63Å
1357G44.3Very low41.1Very low55 Ų55121 Ų12157%0.56779%0.79SS**  trans-137.1160178.600000114.4
1358P39.8Very low40.8Very low136 Ų136126 Ų12688%0.88380%0.798SS**  -106.4175.2-120.937.7-38.3000118.3
1359S42.2Very low40.5Very low115 Ų115126.2 Ų126.280%0.80480%0.799SS**  trans-73.3163.3-160.4-30.80000118.1
1360G35.9Very low40.3Very low81 Ų81126 Ų12684%0.83580%0.801SS**  trans-115.8135.9156.400000111.2
1361L33.2Very low39.2Very low160 Ų160130 Ų13084%0.83881%0.805SS**  trans-136.7140.5-163.8-121.7170.3000113.7
1362A37.2Very low38.7Very low95 Ų95130 Ų13079%0.78580%0.804SS**  trans66.8165.5164.800000117.3
1363A34.8Very low38.6Very low97 Ų97129.3 Ų129.380%0.80280%0.795SS**  cis-149.2172.610.700000115.4
1364L35.5Very low37.9Very low164 Ų164131 Ų13186%0.85979%0.794SS**  trans-68.8167.1-172.8-63.4129.1000118.3
1365T37.7Very low37.2Very low149 Ų149131.9 Ų131.991%0.91480%0.803SS**  trans95.6133.6145.4-26.10000120.1
1366G38.5Very low37.3Very low74 Ų74137 Ų13776%0.76382%0.824SS**  trans140.9129.5158.100000115.5
1367E34.1Very low37Very low194 Ų194134.7 Ų134.791%0.90782%0.824SS**  trans-95145.1-170.2-67.9-169.310600116.9
1368Q39.8Very low36.6Very low196 Ų196135.3 Ų135.392%0.91683%0.831SS**  trans57.1108.3144.7-163175.357.400120.9
1369G38.6Very low36.8Very low74 Ų74136.5 Ų136.576%0.76383%0.83SS**  trans141.260148.200000121.3
1370M32.9Very low36.6Very low190 Ų190139.5 Ų139.594%0.93684%0.835SS**  trans35.493.9158.4-56.6-169.288.600121
1371K36.3Very low36.6Very low220 Ų220138.8 Ų138.896%0.95783%0.828SS**  trans60.7115.2141.7-171.5175.5-176.9170.90121.3
1372G35.4Very low37.2Very low73 Ų73138.9 Ų138.975%0.75383%0.829SS**  trans166.767.8154.100000122.6
1373E32.7Very low37.4Very low159 Ų159140.8 Ų140.874%0.74383%0.834SS**  trans53.3130.7150.5-83-165.9-132.800125.7
1374R34.2Very low37.5Very low229 Ų229139.8 Ų139.886%0.86483%0.832SS**  trans75.3131.5138.8-157.3-172.5-54.9-1533.8119.2
1375G34.9Very low37.7Very low72 Ų72139.7 Ų139.774%0.74284%0.838SS**  cis-175.9172-2.300000113.5
1376I37.1Very low37.6Very low170 Ų170136.3 Ų136.387%0.87283%0.833SS**  trans-81.7-176.2-172.962.7170.2000115
1377P42.4Very low37.7Very low125 Ų125136.5 Ų136.581%0.81284%0.835SS**  cis-131.3-160.3146.6-28.3000113.8
1378G36Very low37.6Very low68 Ų68134.3 Ų134.370%0.70183%0.834SS**  cis166.6171.1-7.900000115.4
1379D42.4Very low37.2Very low162 Ų162134.1 Ų134.187%0.86683%0.833SS**  trans64.1150.9157.7-59.5-4.9000127
1380I38.2Very low37.3Very low177 Ų177133.7 Ų133.791%0.90883%0.83SS**  trans88.8133.9176.2-54.3171.9000115.5
1381G35.8Very low37.4Very low66 Ų66130.8 Ų130.868%0.6883%0.825SS**  cis158.8151.9-6.800000114.6
1382D46.1Very low38.1Very low162 Ų162126.5 Ų126.587%0.86682%0.819SS**  trans-82.9158.4-171.5-43.9-78.6000115.1
1383P41.6Very low38.3Very low136 Ų136125.8 Ų125.888%0.88381%0.812SS**  -156.4170.479.841.7-22.3000118.1
1384G37.2Very low38.5Very low75 Ų75129.6 Ų129.677%0.77382%0.821SS**  trans166.5122.9157.500000116.2
1385V40.7Very low38.9Very low162 Ų162126.9 Ų126.998%0.98282%0.824SS**  trans-131138.5179.2-175.30000111.4
1386G35.1Very low39.2Very low78 Ų78127 Ų12780%0.80483%0.826SS**  trans136.3144.1173.300000112.5
1387G40.3Very low39Very low78 Ų78128.9 Ų128.980%0.80483%0.83SS**  cis-146-151.1800000113.5
1388V32Very low38.7Very low148 Ų148132.8 Ų132.890%0.89784%0.835SS**  trans-123.4154.8-154-162.20000113.8
1389Q30.9Very low38.8Very low192 Ų192133.1 Ų133.190%0.89784%0.838SS**  trans92.2144.3156.9-150.2164.817.200118.4
1390G41.4Very low38.4Very low66 Ų66132.7 Ų132.768%0.6884%0.841SS**  trans-84.1-151.7-176.400000114.9
1391P34.5Very low38.3Very low128 Ų128132.9 Ų132.983%0.83184%0.839SS**  cis-130.4-168.44044.6-28000113.4
1392P51.1Low38.9Very low130 Ų130132.8 Ų132.884%0.84484%0.837SS**  trans-101170.5-163.139.7-35.7000116.5
1393G40.2Very low38.4Very low58 Ų58131.8 Ų131.860%0.59884%0.84SS**  trans115.8129.7158.300000115.8
1394Y37.3Very low38.5Very low240 Ų240133.6 Ų133.694%0.94184%0.836SS**  174.4139.6113.3-76.8-52.7000110.2
1395D41.1Very low38.6Very low171 Ų171133.4 Ų133.491%0.91484%0.835SS**  trans-88.7137.9-176.4-68.3-59.1000114.2
1396G41.3Very low38.4Very low76 Ų76131.2 Ų131.278%0.78483%0.826SS**  trans76.6129.7142.300000119.7
1397E33.8Very low38.5Very low208 Ų208132.9 Ų132.997%0.97283%0.826SS**  trans-110.8157146.5-80.5-153.7137.200110.8
1398K35.1Very low38.4Very low208 Ų208132.3 Ų132.390%0.90482%0.82SS**  trans-114.1147.5-162.2-162.2170.6-176.3172.10111
1399G37.7Very low38.5Very low75 Ų75132.5 Ų132.577%0.77381%0.814SS**  trans-63.5159.6-170.400000116.3
1400T34.9Very low38.7Very low152 Ų152130.3 Ų130.393%0.93381%0.809SS**  trans-82.5136.2-177.251.70000113.8
1401Q36.3Very low38.7Very low182 Ų182130.5 Ų130.585%0.8581%0.811SS**  trans-105150.5-174.4178.9-1724.300113.3
1402G48.3Very low38.9Very low63 Ų63130.4 Ų130.465%0.64981%0.807SS**  trans111154149.300000115.9
1403P36Very low38.3Very low142 Ų142132.1 Ų132.192%0.92281%0.81SS**  cis-112.2163.142.638.3-35.5000116.7
1404Q42.8Very low38.4Very low173 Ų173132.1 Ų132.181%0.80881%0.81SS**  trans-120.7147.7-178.8171.3-171.9-8.200110.8
1405G39.4Very low38.6Very low72 Ų72128 Ų12874%0.74280%0.804SS**  trans168133.5164.200000112.9
1406S36.9Very low38.6Very low115 Ų115128.6 Ų128.680%0.80480%0.804SS**  cis-159.5156.2-2.657.80000113.6
1407S38.1Very low38.7Very low113 Ų113128.2 Ų128.279%0.7980%0.8SS**  trans-33.6165161.4-320000116.7
1408G37.1Very low39.2Very low67 Ų67123.9 Ų123.969%0.69179%0.789SS**  cis-175.2-142.712.500000108.7
1409I33.4Very low39.4Very low151 Ų151123.3 Ų123.377%0.77479%0.787SS**  cis175.1148.1-13.734.2165.8000105.1
1410D36.6Very low39.5Very low147 Ų147123 Ų12379%0.78678%0.784SS**  cis-143.7-165.22.4-64.5-60.1000109.2
1411G41.9Very low39.3Very low69 Ų69124.4 Ų124.471%0.71178%0.777SS**  trans-161.8-57174.700000120
1412V37.9Very low39.2Very low126 Ų126121.5 Ų121.576%0.76478%0.777SS**  trans52.6110.8165-78.80000124.3
1413D39.1Very low38.5Very low166 Ų166121.6 Ų121.689%0.88878%0.778SS**  75.4144.8112.9-70.218.2000129
1414G41.8Very low38.2Very low58 Ų58122.5 Ų122.560%0.59878%0.775SS**  trans132.7137.9148.400000115.5
1415N40.6Very low37.9Very low154 Ų154123.5 Ų123.582%0.82478%0.78SS**  cis-158.7129.32.9-61-94000108.1
1416M42.7Very low38.1Very low184 Ų184123.3 Ų123.391%0.90678%0.778SS**  80.211977.9-164.6-170.96900117.8
1417G43.5Very low38Very low68 Ų68123.7 Ų123.770%0.70178%0.778SS**  trans-169.3147.6166.200000114.3
1418P42.9Very low38Very low116 Ų116124.1 Ų124.175%0.75378%0.781SS**  trans-144.5161.2-139.440.9-21.4000121.4
1419K39.4Very low38Very low196 Ų196124.8 Ų124.885%0.85279%0.788SS**  trans64.6160157.5-71.2179.6175.4-176.30117.9
1420G39.4Very low38.2Very low69 Ų69123.4 Ų123.471%0.71178%0.781SS**  cis151.41712.300000110.5
1421F31.4Very low38Very low182 Ų182124 Ų12480%0.79877%0.772SS**  cis-172.6147.3-4-130.7-78.6000109.7
1422S34.6Very low37.9Very low121 Ų121124.4 Ų124.485%0.84678%0.775SS**  trans64.1167.1170.2-54.60000117.6
1423G32.9Very low37.9Very low65 Ų65126.8 Ų126.867%0.6778%0.778SS**  cis166.2153.9-9.500000114
1424D30.8Very low37.7Very low161 Ų161126.8 Ų126.886%0.86178%0.776SS**  trans72.8129.2155.7-55.1-22.7000125.4
1425Q34.8Very low37.3Very low193 Ų193126.9 Ų126.990%0.90278%0.777SS**  trans73.2128.9149.6-69.1-177.5-8.200123.3
1426G44.5Very low37.3Very low68 Ų68126.7 Ų126.770%0.70178%0.776SS**  trans-86.4-170.4162.500000113.3
1427P34.6Very low37.1Very low124 Ų124126.4 Ų126.481%0.80577%0.773SS**  -157.4172.996.642.2-24000117.8
1428S37.5Very low36.6Very low122 Ų122126 Ų12685%0.85377%0.769SS**  trans38.4127.9143.6-56.60000123.2
1429G38.1Very low36.2Very low81 Ų81128.3 Ų128.384%0.83577%0.77SS**  117.8124.8123.800000118.2
1430I38Very low36Very low122 Ų122126.6 Ų126.663%0.62677%0.767SS**  trans-107166.116954.6167.6000112.7
1431R32.7Very low35.6Very low160 Ų160126.8 Ų126.860%0.60477%0.768SS**  trans80.5129.2175.5-179.2175.7-93.21012.8117.6G1031 A1032G1031-R1431 VanDerWaalsContact C-NH1 3.27Å; G1031-R1431 PolarHBondContact O-NH1 3.45Å; A1032-R1431 PolarHBondContact O-NH1 3.26Å; A1032-R1431 PolarHBondContact O-NH2 2.87Å
1432G39.6Very low35.6Very low76 Ų76126.7 Ų126.778%0.78477%0.771SS**  trans174.751.7168.200000113.9
1433Q36.5Very low35.6Very low177 Ų177126.1 Ų126.183%0.82777%0.773SS**  trans-79.1173.2177.6-72.5-174.1-800113.1
1434I35.7Very low35.5Very low165 Ų165126.3 Ų126.385%0.84678%0.775SS**  trans82.9126.7168-50.1174.1000113.8
1435G34.3Very low35.8Very low60 Ų60127 Ų12762%0.61978%0.777SS**  cis-179.7-142.61.200000114.9
1436D40.7Very low35.7Very low150 Ų150126.9 Ų126.980%0.80278%0.776SS**  trans68.1102.7-176.9-51.7-13.2000113.8
1437Q36.7Very low35.8Very low178 Ų178126.7 Ų126.783%0.83278%0.775SS**  64.6126.671.6-169.7-177.5-2.500112.4
1438G33.2Very low35.8Very low61 Ų61125.2 Ų125.263%0.62977%0.765SS**  cis167.7-167.60.200000110.5
1439E35.9Very low36.1Very low164 Ų164129.6 Ų129.677%0.76677%0.769SS**  trans70.9116172.6-56.2-171.5166.400115.6
1440M34.8Very low36.2Very low160 Ų160129.5 Ų129.579%0.78877%0.768SS**  77.4109.187.4-158.9-170-44.500111.2
1441G31.5Very low36.2Very low72 Ų72128.1 Ų128.174%0.74277%0.774SS**  119.1165.46700000107.7
1442E29.9Very low36.5Very low181 Ų181129.4 Ų129.485%0.84679%0.787SS**  cis-151.2166.4-4.9-66.2-173107.800109.1
1443A35.3Very low36.3Very low109 Ų109129.6 Ų129.690%0.90179%0.789SS**  trans61142.9164.500000119.4
1444G30.9Very low36.7Very low68 Ų68127.5 Ų127.570%0.70179%0.788SS**  cis134.8128.5-5.500000113.2
1445I35.8Very low37Very low176 Ų176125.5 Ų125.590%0.90379%0.788SS**  trans-159.8158.9160.930.7171.9000109.4
1446E34.2Very low36.8Very low190 Ų190130.3 Ų130.389%0.88880%0.798SS**  trans-73.5169.7-176.3-65.6152.8105.200114
1447G45.6Very low36.3Very low65 Ų65134.8 Ų134.867%0.6780%0.804SS**  trans-120.4172.6178.600000114.2
1448P35.9Very low36.2Very low92 Ų92130.1 Ų130.160%0.59780%0.804SS**  trans-132.7169.7170.642-30.3000115.7I1463P1448-I1463 HydrophobicContact CB-CB 4.38Å; P1448-I1463 HydrophobicContact CB-CD1 3.8Å; P1448-I1463 HydrophobicContact CB-CG1 3.64Å; P1448-I1463 HydrophobicContact CB-CG2 4.18Å; P1448-I1463 HydrophobicContact CG-CD1 3.87Å; P1448-I1463 HydrophobicContact CG-CG1 3.82Å
1449K43.3Very low36.5Very low215 Ų215130.8 Ų130.894%0.93581%0.811SS**  trans-93.5147.6159.8-76.2-179172.7178.80110.4
1450G40.9Very low36.7Very low79 Ų79130.7 Ų130.781%0.81482%0.821SS**  trans166.382170.400000119.3
1451A36.1Very low37.1Very low92 Ų92125.9 Ų125.976%0.7681%0.813SS**  trans20131.6152.500000124.9
1452Q39.3Very low37.2Very low188 Ų188131.6 Ų131.688%0.87982%0.82SS**  trans67.4156.8136.4-68.1-175.6-0.300122.5
1453G36.5Very low37.7Very low80 Ų80128.7 Ų128.783%0.82581%0.809SS**  trans-158.6115.8170.300000113.5
1454V43.9Very low38Very low132 Ų132126.9 Ų126.980%0.880%0.801SS**  trans-113.5131.3176.3-178.20000109.9I1456V1454-I1456 PolarHBondContact O-N 2.86Å
1455S42.7Very low38.4Very low123 Ų123131 Ų13186%0.8681%0.807SS**SBendtrans-87.266-170.3-164.10000114.6
1456I29.9Very low38.8Very low161 Ų161128.4 Ų128.483%0.82680%0.802SS**SBend-151.3121.2127.1-45.1-176.5000109.3V1454V1454-I1456 PolarHBondContact O-N 2.86Å
1457R31Very low39.1Very low244 Ų244123.3 Ų123.392%0.92180%0.8SS**SBendtrans69.274161.2-159.8-171-153.3170.67.5118.8
1458G34.1Very low38.4Very low81 Ų81128.4 Ų128.484%0.83581%0.806SS**  trans85.5139.5148.300000115.5
1459G38.3Very low38.2Very low75 Ų75130.7 Ų130.777%0.77381%0.813SS**  cis-179.3156.1-4.500000110.9
1460V41.9Very low38Very low161 Ų161124.5 Ų124.598%0.97681%0.811SS**  trans-69.9132.7177.5178.60000110.1
1461G42.8Very low37.6Very low60 Ų60125.3 Ų125.362%0.61981%0.81SS**  trans150143.6170.200000112.1
1462E34.1Very low37.9Very low192 Ų192129.9 Ų129.990%0.89782%0.82SS**  cis-161.7-179.8-10.7-140.9162-146.900108.8
1463I39.8Very low38.1Very low120 Ų120123.8 Ų123.862%0.61581%0.808SS**  trans-65.4139.1179.3-39.5-172.3000110.4P1448P1448-I1463 HydrophobicContact CB-CB 4.38Å; P1448-I1463 HydrophobicContact CB-CD1 3.8Å; P1448-I1463 HydrophobicContact CB-CG1 3.64Å; P1448-I1463 HydrophobicContact CB-CG2 4.18Å; P1448-I1463 HydrophobicContact CG-CD1 3.87Å; P1448-I1463 HydrophobicContact CG-CG1 3.82Å
1464G41.9Very low38.3Very low70 Ų70129.9 Ų129.972%0.72282%0.815SS**  trans-174.668.9176.600000117.3
1465D39.1Very low38.4Very low155 Ų155132.8 Ų132.883%0.82982%0.82SS**  trans-72.6157.1141-68.1-53.6000108.9
1466P44.1Very low38.6Very low122 Ų122130 Ų13079%0.79281%0.81SS**  cis-126.6173.45.841-27000114.7
1467G40.1Very low39Very low83 Ų83129.7 Ų129.786%0.85681%0.811SS**  trans-151.896167.400000112
1468E31.6Very low40Very low172 Ų172124.4 Ų124.480%0.80481%0.808SS**  trans-75.1144.1-175.8-83.5-168.8114.600114.9
1469N30.7Very low40.6Very low139 Ų139123.3 Ų123.374%0.74380%0.797SS**  trans66.292.9147.9-62.8-35.4000119.7
1470G40.2Very low40.6Very low86 Ų86125.8 Ų125.889%0.88780%0.799SS**  trans-135.991146.100000109.2
1471A32.3Very low40.9Very low96 Ų96126.1 Ų126.179%0.79380%0.795SS**  trans-95.3175.6-169.400000113.9
1472L42.3Very low40.8Very low187 Ų187126.5 Ų126.598%0.97980%0.799SS**  trans85.3121.6179-151.975.2000114.2
1473G42.6Very low40.9Very low60 Ų60126.6 Ų126.662%0.61980%0.799SS**  cis-166.7-176.1-1.400000113.3Q1475G1473-Q1475 PolarHBondContact O-N 3.24Å
1474E41.6Very low41.1Very low208 Ų208128 Ų12897%0.97281%0.813SS**  trans-65.2121.9177.2-66.4170.1139.400110.7
1475Q45.2Very low41.2Very low194 Ų194127.3 Ų127.391%0.90781%0.807SS**  trans-160.7115.1174.3-179.9-178.91.400106.5G1473G1473-Q1475 PolarHBondContact O-N 3.24Å
1476G47.8Very low41Very low63 Ų63127.3 Ų127.365%0.64981%0.806SS**  cis158157.80.800000107.3
1477D36.5Very low40.7Very low156 Ų156129.8 Ų129.883%0.83481%0.813SS**SBendtrans-55.2140.9175.2-58-66.2000110.1G1479D1477-G1479 PolarHBondContact O-N 3.08Å
1478P53.9Low40.7Very low132 Ų132128.9 Ų128.986%0.85780%0.803SS**  trans-53.8109.7171.7-25.235.1000109.1
1479G46.8Very low40.7Very low59 Ų59128.1 Ų128.161%0.60881%0.805SS**PPolyproline II helixtrans-61153.3-17500000111.3D1477D1477-G1479 PolarHBondContact O-N 3.08Å
1480P38.3Very low41.2Very low126 Ų126130 Ų13082%0.81881%0.813SS**PPolyproline II helixtrans-55.6148.9173.226.9-35.4000110.2G1482P1480-G1482 PolarHBondContact O-N 3.12Å; P1480-G1482 VanDerWaalsContact O-N 3.1Å
1481D47.2Very low41.2Very low169 Ų169128.4 Ų128.490%0.90480%0.796SS**PPolyproline II helixtrans-52.3119.9178.4-87.1-47000110.3E1483D1481-E1483 PolarHBondContact O-N 2.03Å
1482G41.3Very low41.3Very low67 Ų67132 Ų13269%0.69180%0.796SS**PPolyproline II helixtrans-70.2126.6-171.200000112.1P1480 V1484P1480-G1482 PolarHBondContact O-N 3.12Å; P1480-G1482 VanDerWaalsContact O-N 3.1Å; G1482-V1484 PolarHBondContact O-N 3.33Å
1483E35.5Very low41.1Very low194 Ų194131.6 Ų131.691%0.90779%0.787SS**PPolyproline II helixtrans-53.6130.4174.5-62.8-176.3141.800111.5D1481 G1485D1481-E1483 PolarHBondContact O-N 2.03Å; E1483-G1485 PolarHBondContact O-N 2.96Å
1484V44.9Very low40.9Very low149 Ų149131.6 Ų131.690%0.90379%0.787SS**  trans-79.3101.7173.6177.30000108.3G1482G1482-V1484 PolarHBondContact O-N 3.33Å
1485G43.1Very low40.5Very low57 Ų57129.4 Ų129.459%0.58878%0.777SS**  trans-77.1169.2-169.400000117.4E1483E1483-G1485 PolarHBondContact O-N 2.96Å
1486D35.2Very low40Very low154 Ų154128.5 Ų128.582%0.82477%0.77SS**  trans56.695.2155.1-59.1-15.8000119.3
1487N38.3Very low39.3Very low175 Ų175129.4 Ų129.494%0.93678%0.779SS**  -139.9147.3101.6-76.7-87000108.6
1488G38.6Very low39.4Very low63 Ų63131.1 Ų131.165%0.64978%0.782SS**  cis148.796.6-0.500000111.6
1489D32.9Very low39.1Very low156 Ų156130.7 Ų130.783%0.83478%0.78SS**  trans40.3116.6161.1-57.4-32.5000120.7
1490I40.6Very low38.7Very low180 Ų180131.3 Ų131.392%0.92379%0.786SS**  -126.9112.8107.5-62.8-172.5000108.6
1491G39.8Very low38.6Very low51 Ų51133 Ų13353%0.52679%0.787SS.*  trans-116.7-167.3171.600000113.2
1492E34.5Very low38.1Very low171 Ų171131.8 Ų131.880%0.79978%0.78SS**  trans68.1144.5-172.6-49.7-161.2168.200114.5
1493K38.9Very low37.8Very low179 Ų179137.4 Ų137.478%0.77879%0.788SS**  cis-163.8148.428.6-154.3-177.4-152770110
1494G37.7Very low37.9Very low60 Ų60131.6 Ų131.662%0.61978%0.78SS**  cis149.9110.2-7.700000113.2
1495E34.1Very low37.4Very low163 Ų163133 Ų13376%0.76278%0.777SS**  trans68153.8165.2-52-152.9154.800118.4
1496K35.2Very low37.3Very low174 Ų174141.3 Ų141.376%0.75779%0.79SS**  cis-167.1156-14.4-110.9173.4-167146.40109.2
1497G32.2Very low37.8Very low82 Ų82137.3 Ų137.385%0.84579%0.785SS**  trans124.7125.9146.300000119.3
1498Q38.5Very low37.6Very low192 Ų192138.5 Ų138.590%0.89779%0.785SS**  trans-96.9169.9161.3-87.1-175.7-6.100110.5
1499P47.7Very low38.3Very low124 Ų124142.4 Ų142.481%0.80580%0.796SS**  cis-137.2166.4-24.734.4-16.9000115.1
1500G39.2Very low38.7Very low72 Ų72137.9 Ų137.974%0.74279%0.786SS**  trans133.1120.9142.300000120.9
1501L34.8Very low38.5Very low162 Ų162137.2 Ų137.285%0.84879%0.785SS**  trans73.9127.4155-98.369000122.7
1502L36.5Very low39.1Very low142 Ų142142.1 Ų142.174%0.74380%0.804SS**  trans74.298146.7-63.6169.3000122.8
1503E35.2Very low39.5Very low186 Ų186137.1 Ų137.187%0.86980%0.798SS**  61121.5117.4-161.6168.6-149.200124
1504G38.8Very low39.2Very low71 Ų71137.8 Ų137.873%0.73280%0.804SS**  trans94.6143.2154.800000118.2
1505E34.1Very low39.8Very low178 Ų178145.6 Ų145.683%0.83282%0.815SS**  cis-152.5140.6-7.3-75.9-163.396.200113.2
1506R40.4Very low40.7Very low233 Ų233140.5 Ų140.588%0.87981%0.806SS**  trans30.9132.6140-165.3-175.4-57.4-1672.8124.6
1507G46.2Very low41.1Very low69 Ų69136 Ų13671%0.71179%0.79SS**  trans108.6146.3141.600000116.7
1508E35.1Very low42.2Very low200 Ų200137.5 Ų137.594%0.93578%0.784SS**  cis-132.5-164.73.7-65.1-170.8130.900112.2
1509V53.1Low43Very low146 Ų146129.6 Ų129.689%0.88575%0.754SS**  trans-123.3150.2-156.5177.20000114.4
1510G40.4Very low42.6Very low61 Ų61128.8 Ų128.863%0.62974%0.739SS**  trans174.7136.9159.500000110
1511D36.6Very low43.4Very low166 Ų166132 Ų13289%0.88874%0.744SS**  cis-133.9174.8-3.2-73.6-46.1000110
1512V53.1Low44.6Very low153 Ų153126.4 Ų126.493%0.92773%0.725SS**  trans-103.5123.4-175.9176.30000112.2
1513G42.2Very low45.1Very low66 Ų66125.4 Ų125.468%0.6873%0.727SS**  trans173.4139.3166.100000110.3
1514E32.7Very low46.3Very low194 Ų194122.2 Ų122.291%0.90772%0.723SS**  cis-114-168.3-8.4-63.5-163.3117.300110.9G1516E1514-G1516 PolarHBondContact O-N 2.91Å
1515R49.8Very low47.4Very low224 Ų224121.6 Ų121.685%0.84572%0.716SS**  trans-72.299175.5179-177.1-74.4166.8-2.8109.3K382K382-R1515 PolarHBondContact NZ-O 3.35Å
1516G53.5Low48.3Very low56 Ų56119.4 Ų119.458%0.57772%0.717SS**  trans-43144.9176.400000113.8E1514E1514-G1516 PolarHBondContact O-N 2.91Å
1517D43.7Very low48.8Very low79 Ų79115.7 Ų115.742%0.42271%0.713SS.*  trans-77.1136.1-163.7-60.7-65.8000112.1P381 K382 G1519P381-D1517 HydrophobicContact CG-CB 4.49Å; P381-D1517 WeakPolarHBondContact O-CB 3.34Å; K382-D1517 HydrophobicContact CB-CB 3.69Å; K382-D1517 VanDerWaalsContact CB-OD1 3.24Å; K382-D1517 WeakPolarHBondContact CB-OD1 3.34Å; K382-D1517 HydrophobicContact CD-CB 4.33Å; K382-D1517 WeakPolarHBondContact CD-OD1 3.36Å; K382-D1517 VanDerWaalsContact CE-OD1 3.3Å; K382-D1517 WeakPolarHBondContact CE-OD1 3.21Å; K382-D1517 HydrophobicContact CG-CB 3.69Å; K382-D1517 WeakPolarHBondContact CG-OD1 3.47Å; K382-D1517 IonicContact NZ-OD1 3.94Å; K382-D1517 PolarHBondContact NZ-OD1 3.34Å; D1517-G1519 PolarHBondContact O-N 2.85Å
1518T53.9Low49.3Very low114 Ų114115.3 Ų115.370%0.69971%0.709SS**  trans-63.2110.6-171.8-54.10000108.8P381P381-T1518 WeakPolarHBondContact CG-O 3.44Å
1519G55.8Low50.1Low26 Ų26113.7 Ų113.727%0.26871%0.707SS.*  trans-48.6139.3-174.300000113.3F380 D1517 V1521F380-G1519 VanDerWaalsContact CE2-CA 3.48Å; F380-G1519 VanDerWaalsContact CZ-CA 3.44Å; D1517-G1519 PolarHBondContact O-N 2.85Å; G1519-V1521 PolarHBondContact O-N 3.34Å
1520E39.7Very low50.3Low107 Ų107113 Ų11350%0.570%0.703SS.*  trans-53.7133.8175-57170.2127.400108.5F380 P381 G1522F380-E1520 HydrophobicContact CD1-CB 4.02Å; F380-E1520 HydrophobicContact CD1-CG 4.16Å; F380-E1520 VanDerWaalsContact CD1-N 3.3Å; F380-E1520 HydrophobicContact CE1-CB 4.17Å; F380-E1520 VanDerWaalsContact CE1-N 3.26Å; F380-E1520 VanDerWaalsContact CE1-O 3.3Å; F380-E1520 WeakPolarHBondContact CE1-O 3.45Å; F380-E1520 PolarHBondContact N-OE2 2.87Å; P381-E1520 HydrophobicContact CB-CG 3.52Å; P381-E1520 HydrophobicContact CG-CG 3.79Å; E1520-G1522 PolarHBondContact O-N 2.65Å
1521V56.2Low51.2Low139 Ų139112.8 Ų112.884%0.84270%0.701SS**  trans-64.3113.2170.3-179.60000106.1G1519G1519-V1521 PolarHBondContact O-N 3.34Å
1522G59.5Low52Low44 Ų44110.8 Ų110.845%0.45470%0.697SS.*PPolyproline II helixtrans-52.6143.7178.800000109.9E1520E1520-G1522 PolarHBondContact O-N 2.65Å
1523P46.4Very low52.2Low122 Ų122111.4 Ų111.479%0.79269%0.687SS**PPolyproline II helixtrans-51.7131.4-169.821-33.5000110G1525P1523-G1525 PolarHBondContact O-N 3.02Å
1524P61Low53.1Low119 Ų119111.2 Ų111.277%0.77369%0.685SS**PPolyproline II helixtrans-47.2132174.9-29.435.7000109.9
1525G62.4Low53.9Low58 Ų58111.6 Ų111.660%0.59868%0.684SS**PPolyproline II helixtrans-54.8145.3173.700000109.2P1523 I1527P1523-G1525 PolarHBondContact O-N 3.02Å; G1525-I1527 PolarHBondContact O-N 2.97Å; G1525-I1527 VanDerWaalsContact O-N 3.08Å
1526P51.8Low54.4Low131 Ų131107 Ų10785%0.85168%0.676SS**PPolyproline II helixtrans-52124.3-179.122.7-33.6000108.8G1528P1526-G1528 PolarHBondContact O-N 3.32Å
1527I52.6Low54.4Low155 Ų155107.5 Ų107.580%0.79568%0.681SS**PPolyproline II helixtrans-54.3117.8177.9-63.1174.7000106.1G1525 D1529G1525-I1527 PolarHBondContact O-N 2.97Å; G1525-I1527 VanDerWaalsContact O-N 3.08Å; I1527-D1529 PolarHBondContact O-N 2.89Å
1528G56.8Low54.6Low61 Ų61113 Ų11363%0.62970%0.704SS**PPolyproline II helixtrans-61.8139.3-177.800000109.5P1526 V1530P1526-G1528 PolarHBondContact O-N 3.32Å; G1528-V1530 PolarHBondContact O-N 2.77Å; G1528-V1530 VanDerWaalsContact O-N 3.13Å
1529D50.6Low54.3Low166 Ų166117.3 Ų117.389%0.88871%0.714SS**  trans-40.7120.4-177.1-54.6-51.7000110.6I1527 G1531I1527-D1529 PolarHBondContact O-N 2.89Å; D1529-G1531 PolarHBondContact O-N 3.42Å
1530V57Low53.7Low132 Ų132119.3 Ų119.380%0.873%0.734SS**PPolyproline II helixtrans-53.3117.5-176.3176.80000108.1G1528G1528-V1530 PolarHBondContact O-N 2.77Å; G1528-V1530 VanDerWaalsContact O-N 3.13Å
1531G60.7Low53.7Low56 Ų56122.1 Ų122.158%0.57775%0.747SS**PPolyproline II helixtrans-54129.5-175.700000109.3D1529 K1533D1529-G1531 PolarHBondContact O-N 3.42Å; G1531-K1533 PolarHBondContact O-N 2.86Å; G1531-K1533 VanDerWaalsContact O-N 3.15Å
1532P52.5Low53.1Low125 Ų125121.1 Ų121.181%0.81274%0.743SS**PPolyproline II helixtrans-54.4126.8-170.921.7-33.6000109.3G1534P1532-G1534 PolarHBondContact O-N 2.77Å; P1532-G1534 VanDerWaalsContact O-N 3.07Å
1533K56.7Low52.1Low166 Ų166121.6 Ų121.672%0.72275%0.748SS**  trans-39.6119.4-174.2-172.6-163.3-178.4-1530108.9G1531 K1535 D1536G1531-K1533 PolarHBondContact O-N 2.86Å; G1531-K1533 VanDerWaalsContact O-N 3.15Å; K1533-K1535 PolarHBondContact O-N 3.26Å; K1533-D1536 IonicContact NZ-OD1 2.69Å; K1533-D1536 PolarHBondContact NZ-OD1 3.19Å
1534G62.7Low51.7Low62 Ų62124.5 Ų124.564%0.63975%0.751SS**  trans-50.3128.2179.400000108.6P1532 D1536P1532-G1534 PolarHBondContact O-N 2.77Å; P1532-G1534 VanDerWaalsContact O-N 3.07Å; G1534-D1536 PolarHBondContact O-N 2.99Å
1535K48.3Very low50.8Low202 Ų202122.2 Ų122.288%0.87874%0.735SS**  trans-42.7131.4-178.3-44.2-179.6-173-173.80108.3K1533 G1537K1533-K1535 PolarHBondContact O-N 3.26Å; K1535-G1537 PolarHBondContact O-N 3.1Å
1536D59.9Low49.9Very low127 Ų127125.6 Ų125.668%0.67974%0.74SS**  trans-49122.6175.2-63.6-32.6000107.6K1533 G1534 E1538K1533-D1536 IonicContact NZ-OD1 2.69Å; K1533-D1536 PolarHBondContact NZ-OD1 3.19Å; G1534-D1536 PolarHBondContact O-N 2.99Å; D1536-E1538 PolarHBondContact O-N 2.79Å
1537G54.2Low49.6Very low67 Ų67130.9 Ų130.969%0.69174%0.744SS**  trans-54136.5-17400000109K1535 K1539K1535-G1537 PolarHBondContact O-N 3.1Å; G1537-K1539 PolarHBondContact O-N 3.25Å
1538E48.7Very low49.8Very low193 Ų193127.2 Ų127.290%0.90273%0.732SS**  trans-42.9120-180-69.3-173.2148.500108.4D1536 G1540D1536-E1538 PolarHBondContact O-N 2.79Å; E1538-G1540 WeakPolarHBondContact O-CA 3.08Å; E1538-G1540 PolarHBondContact O-N 3.29Å
1539K46.8Very low50.8Low206 Ų206125.6 Ų125.690%0.89671%0.712SS**  trans-47.4108-179.8-85.3-172.1176.2-178.70106.7G1537 Q1541G1537-K1539 PolarHBondContact O-N 3.25Å; K1539-Q1541 PolarHBondContact O-N 2.94Å; K1539-Q1541 VanDerWaalsContact O-N 3.1Å
1540G43.1Very low52.7Low67 Ų67120.1 Ų120.169%0.69168%0.682SS**  trans-51125.1-169.500000107.4E1538E1538-G1540 WeakPolarHBondContact O-CA 3.08Å; E1538-G1540 PolarHBondContact O-N 3.29Å
1541Q39.6Very low54.5Low166 Ų166117.7 Ų117.778%0.77666%0.664SS**  trans-40.7121.1-171.8-75.6-174.1-17.800108.1K1539 G1543K1539-Q1541 PolarHBondContact O-N 2.94Å; K1539-Q1541 VanDerWaalsContact O-N 3.1Å; Q1541-G1543 VanDerWaalsContact O-CA 3.28Å; Q1541-G1543 WeakPolarHBondContact O-CA 3.43Å; Q1541-G1543 PolarHBondContact O-N 3.08Å
1542P42.9Very low56.2Low119 Ų119115.2 Ų115.277%0.77364%0.637SS**  trans-47.2113.2-176.9-29.134.6000106.9Q1544P1542-Q1544 PolarHBondContact O-N 3.01Å
1543G40Very low58.3Low54 Ų54109.3 Ų109.356%0.55760%0.599SS**  trans-51.4130.8-156.300000108.3Q1541 T1545Q1541-G1543 VanDerWaalsContact O-CA 3.28Å; Q1541-G1543 WeakPolarHBondContact O-CA 3.43Å; Q1541-G1543 PolarHBondContact O-N 3.08Å; G1543-T1545 PolarHBondContact O-N 3.37Å; G1543-T1545 PolarHBondContact O-OG1 2.85Å
1544Q37.4Very low60.2Low182 Ų182102.7 Ų102.785%0.8557%0.569SS**  trans-72.265.5178.3-77.6-166-19.500109.9P1542 N1546P1542-Q1544 PolarHBondContact O-N 3.01Å; Q1544-N1546 VanDerWaalsContact C-N 3.26Å; Q1544-N1546 PolarHBondContact O-N 3.34Å
1545T41.1Very low61.7Low72 Ų72100.6 Ų100.644%0.44254%0.543SS..  trans-57.299.2152.4540000105.5G1543 Y1547 S1549G1543-T1545 PolarHBondContact O-N 3.37Å; G1543-T1545 PolarHBondContact O-OG1 2.85Å; T1545-Y1547 PolarHBondContact O-N 3.02Å; T1545-S1549 VanDerWaalsContact CG2-OG 3.3Å; T1545-S1549 WeakPolarHBondContact CG2-OG 3.41Å
1546N44.3Very low63.9Low128 Ų12892.7 Ų92.768%0.68451%0.508SS*.  trans-44.6137.3139.5-67.3-62.7000106.2Q1544 S1548Q1544-N1546 VanDerWaalsContact C-N 3.26Å; Q1544-N1546 PolarHBondContact O-N 3.34Å; N1546-S1548 PolarHBondContact O-N 2.83Å; N1546-S1548 PolarHBondContact O-OG 3.11Å
1547Y46Very low65.4Low242 Ų24287.1 Ų87.195%0.94948%0.478SS*.THydrogen-bonded Turntrans-69.641.4-175.7-70.3-91.7000113.2T1545T1545-Y1547 PolarHBondContact O-N 3.02Å
1548S56.2Low67.3Low78 Ų7884.9 Ų84.955%0.54545%0.451SS..THydrogen-bonded Turntrans-113.5-15.1178.953.60000112.9N1546N1546-S1548 PolarHBondContact O-N 2.83Å; N1546-S1548 PolarHBondContact O-OG 3.11Å
1549S77.5Confident69.3Low28 Ų2876.7 Ų76.720%0.19641%0.414CS..  trans-92.7132.5173.252.40000112.5T1545 E1656 A1657T1545-S1549 VanDerWaalsContact CG2-OG 3.3Å; T1545-S1549 WeakPolarHBondContact CG2-OG 3.41Å; S1549-E1656 VanDerWaalsContact CB-CG 3.5Å; S1549-E1656 WeakPolarHBondContact CB-OE1 3.4Å; S1549-E1656 PolarHBondContact OG-OE1 3.48Å; S1549-A1657 CarbonylContact C-O 3.6Å; S1549-A1657 VanDerWaalsContact CA-O 3.24Å; S1549-A1657 WeakPolarHBondContact CA-O 3.14Å
1550I90.7Very high71.4Confident51 Ų5171.7 Ų71.726%0.26239%0.393SS..EExtended strand (participates in β ladder)trans-105.9132.1-179.2-61.5-61.9000107.9A1657I1550-A1657 PolarHBondContact N-O 2.86Å; I1550-A1657 PolarHBondContact O-N 3.1Å
1551L95.3Very high73.4Confident80 Ų8071.1 Ų71.142%0.41938%0.376SS..EExtended strand (participates in β ladder)trans-97.4136.3176.6-53.8-168.7000110.2L1573 P1596 C1655 E1656L1551-L1573 HydrophobicContact CD1-CD1 4.15Å; L1551-L1573 HydrophobicContact CD2-CD1 3.55Å; L1551-L1573 HydrophobicContact CG-CD1 4.43Å; L1551-P1596 HydrophobicContact CB-CG 3.56Å; L1551-P1596 HydrophobicContact CD1-CG 4.37Å; L1551-C1655 WeakPolarHBondContact CA-O 3.09Å; L1551-E1656 HydrophobicContact CD2-CB 3.96Å; L1551-E1656 HydrophobicContact CD2-CG 3.97Å
1552F96.1Very high75.4Confident4 Ų470.5 Ų70.52%0.01838%0.377CS..EExtended strand (participates in β ladder)trans-140154.4172.571.4-78.9000110.9R1554 P1567 T1570 G1594 V1654 C1655 A1657 V1661 L1681 W1682 P1704F1552-R1554 HydrophobicContact CE2-CB 4.36Å; F1552-P1567 HydrophobicContact CE2-CG 4.24Å; F1552-P1567 HydrophobicContact CZ-CG 4Å; F1552-T1570 HydrophobicContact CE1-CG2 3.92Å; F1552-T1570 HydrophobicContact CZ-CG2 4.16Å; F1552-G1594 CarbonylContact C-O 3.49Å; F1552-G1594 WeakPolarHBondContact CA-O 3.23Å; F1552-G1594 WeakPolarHBondContact CB-O 3.4Å; F1552-V1654 WeakPolarHBondContact O-CA 3.31Å; F1552-C1655 HydrophobicContact CD1-CB 4.11Å; F1552-C1655 WeakPolarHBondContact CD1-O 3.49Å; F1552-C1655 HydrophobicContact CE1-CB 3.45Å; F1552-C1655 VanDerWaalsContact CE1-CB 3.45Å; F1552-C1655 HydrophobicContact CE2-CB 4.04Å; F1552-C1655 HydrophobicContact CZ-CB 3.43Å; F1552-C1655 VanDerWaalsContact CZ-CB 3.43Å; F1552-C1655 PolarHBondContact N-O 3.3Å; F1552-C1655 VanDerWaalsContact N-O 3.1Å; F1552-C1655 PolarHBondContact O-N 2.96Å; F1552-A1657 HydrophobicContact CD1-CB 4.1Å; F1552-A1657 HydrophobicContact CE1-CB 3.92Å; F1552-V1661 HydrophobicContact CD1-CG2 3.92Å; F1552-V1661 HydrophobicContact CE1-CG2 4.1Å; F1552-V1661 HydrophobicContact CG-CG2 4.46Å; F1552-L1681 HydrophobicContact CE2-CD1 4.36Å; F1552-L1681 HydrophobicContact CZ-CD1 3.97Å; F1552-W1682 AromaticContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CZ3 4.23Å; F1552-W1682 AromaticContact CE2-CH2 3.83Å; F1552-W1682 HydrophobicContact CE2-CH2 3.83Å; F1552-W1682 AromaticContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CZ-CZ3 4.5Å; F1552-P1704 HydrophobicContact CB-CG 4.43Å
1553A96.8Very high77Confident1 Ų167.2 Ų67.21%0.00835%0.354CS..EExtended strand (participates in β ladder)trans-94.7146.2168.200000110.7G1594 T1595 C1599 V1653 V1654A1553-G1594 PolarHBondContact N-O 2.89Å; A1553-T1595 VanDerWaalsContact CB-O 3.26Å; A1553-T1595 WeakPolarHBondContact CB-O 3.4Å; A1553-C1599 HydrophobicContact CB-CB 4.31Å; A1553-V1653 WeakPolarHBondContact CA-O 3.5Å; A1553-V1654 HydrophobicContact CB-CG2 4.46Å
1554R96.2Very high79.3Confident28 Ų2864.7 Ų64.711%0.10633%0.327CS..EExtended strand (participates in β ladder)trans-122.5126.6165.1-175.5178.3178.1-179.25.6108.6F1552 Y1556 C1652 V1653 W1682 E1709F1552-R1554 HydrophobicContact CE2-CB 4.36Å; R1554-Y1556 HydrophobicContact CB-CE2 4.31Å; R1554-Y1556 HydrophobicContact CG-CD2 4.25Å; R1554-Y1556 HydrophobicContact CG-CE2 3.75Å; R1554-Y1556 PolarHBondContact NE-OH 3.24Å; R1554-Y1556 PolarHBondContact NH1-OH 3.13Å; R1554-C1652 VanDerWaalsContact O-CA 3.31Å; R1554-C1652 WeakPolarHBondContact O-CA 3.36Å; R1554-V1653 HydrophobicContact CB-CG1 4.09Å; R1554-V1653 PolarHBondContact N-O 3.27Å; R1554-V1653 PolarHBondContact O-N 3.13Å; R1554-W1682 HydrophobicContact CB-CH2 4.18Å; R1554-W1682 HydrophobicContact CB-CZ3 4.39Å; R1554-W1682 HydrophobicContact CG-CE3 4.37Å; R1554-W1682 HydrophobicContact CG-CH2 4.09Å; R1554-W1682 HydrophobicContact CG-CZ2 4.29Å; R1554-W1682 HydrophobicContact CG-CZ3 4.16Å; R1554-E1709 IonicContact CZ-OE1 2.6Å; R1554-E1709 VanDerWaalsContact CZ-OE1 3.24Å; R1554-E1709 IonicContact CZ-OE2 2.7Å; R1554-E1709 IonicContact NE-OE1 3.84Å; R1554-E1709 PolarHBondContact NE-OE1 3.4Å; R1554-E1709 IonicContact NE-OE2 2.62Å; R1554-E1709 IonicContact NH2-OE1 3.55Å; R1554-E1709 PolarHBondContact NH2-OE1 3.48Å; R1554-E1709 IonicContact NH2-OE2 2.69Å; R1554-E1709 PolarHBondContact NH2-OE2 3.1Å
1555H95.1Very high81.9Confident18 Ų1860.2 Ų60.28%0.08331%0.312CS..EExtended strand (participates in β ladder)trans-101.2123.5-177.6-69.1-87.8000110.7S1578 L1593 S1598 L1629H1555-S1578 WeakPolarHBondContact ND1-CB 3.32Å; H1555-S1578 PolarHBondContact ND1-OG 3Å; H1555-L1593 PolarHBondContact CD2-O 2.64Å; H1555-L1593 PolarHBondContact NE2-O 2.77Å; H1555-S1598 PolarHBondContact CE1-O 3.05Å; H1555-S1598 PolarHBondContact CE1-OG 3.22Å; H1555-S1598 WeakPolarHBondContact NE2-CB 3.32Å; H1555-S1598 PolarHBondContact NE2-OG 3.29Å; H1555-L1629 HydrophobicContact CB-CD2 3.73Å
1556Y93.5Very high84.5Confident36 Ų3657.9 Ų57.914%0.14130%0.299CS..EExtended strand (participates in β ladder)trans-107.5122.7176.2-72.5-100.5000108.4R1554 T1558 L1564 T1565 A1650 R1651 V1653R1554-Y1556 HydrophobicContact CB-CE2 4.31Å; R1554-Y1556 HydrophobicContact CG-CD2 4.25Å; R1554-Y1556 HydrophobicContact CG-CE2 3.75Å; R1554-Y1556 PolarHBondContact NE-OH 3.24Å; R1554-Y1556 PolarHBondContact NH1-OH 3.13Å; Y1556-T1558 PolarHBondContact O-N 2.83Å; Y1556-L1564 HydrophobicContact CD2-CD2 3.85Å; Y1556-L1564 HydrophobicContact CD2-CG 3.64Å; Y1556-L1564 HydrophobicContact CE2-CG 4.15Å; Y1556-L1564 HydrophobicContact CG-CD1 4.37Å; Y1556-L1564 HydrophobicContact CG-CD2 4.39Å; Y1556-L1564 HydrophobicContact CG-CG 3.94Å; Y1556-T1565 PolarHBondContact OH-O 2.72Å; Y1556-A1650 WeakPolarHBondContact O-CB 3.46Å; Y1556-R1651 PolarHBondContact N-O 2.87Å; Y1556-R1651 PolarHBondContact O-N 2.91Å; Y1556-V1653 HydrophobicContact CD2-CG1 4.38Å; Y1556-V1653 HydrophobicContact CE2-CG1 3.84Å
1557Q92.1Very high86.9Confident9 Ų952.1 Ų52.14%0.04227%0.268CS..SBendtrans-77.353.9-179.4-62.3179.5-90.600111.5L1629 A1630 T1631 L1632 M1708 H1710Q1557-L1629 HydrophobicContact CG-CD2 4.2Å; Q1557-A1630 PolarHBondContact NE2-O 3.38Å; Q1557-T1631 CarbonylContact O-C 3.59Å; Q1557-T1631 WeakPolarHBondContact O-CA 3.45Å; Q1557-L1632 HydrophobicContact CB-CD2 4.19Å; Q1557-L1632 HydrophobicContact CB-CG 3.89Å; Q1557-L1632 WeakPolarHBondContact O-CG 3.31Å; Q1557-L1632 PolarHBondContact O-N 3.17Å; Q1557-M1708 HydrophobicContact CG-CE 4.16Å; Q1557-H1710 PolarHBondContact OE1-O 2.79Å
1558T93Very high89Confident21 Ų2147.2 Ų47.213%0.12926%0.264CS..  trans-140.2146.9-176.1-168.70000108.9Y1556 F1560 L1564 T1631 R1651Y1556-T1558 PolarHBondContact O-N 2.83Å; T1558-F1560 WeakPolarHBondContact OG1-CD2 3.48Å; T1558-L1564 HydrophobicContact CG2-CD1 3.9Å; T1558-T1631 VanDerWaalsContact C-CG2 3.47Å; T1558-R1651 WeakPolarHBondContact O-CB 3.22Å; T1558-R1651 VanDerWaalsContact O-CG 3.26Å; T1558-R1651 WeakPolarHBondContact O-CG 3.41Å; T1558-R1651 PolarHBondContact O-N 3.21Å
1559P91.7Very high90.6Very high20 Ų2046 Ų4613%0.1326%0.263CS..SBendtrans-82.8-18173.332.8-33.3000112.6T1631 A1646 R1651P1559-T1631 HydrophobicContact CB-CG2 4.17Å; P1559-T1631 HydrophobicContact CG-CG2 4.41Å; P1559-A1646 WeakPolarHBondContact CB-O 3.36Å; P1559-R1651 WeakPolarHBondContact O-CG 3.27Å
1560F91.3Very high91.4Very high102 Ų10245.3 Ų45.345%0.44726%0.258SS..  trans-78.2123.5-171.3-52.5-61.7000112.3W728 T1558 L1564W728-F1560 HydrophobicContact CB-CE2 3.91Å; W728-F1560 HydrophobicContact CG-CE2 4.45Å; T1558-F1560 WeakPolarHBondContact OG1-CD2 3.48Å; F1560-L1564 WeakPolarHBondContact O-CD1 3.08Å
1561V83.6Confident91.6Very high55 Ų5547.7 Ų47.733%0.33327%0.271SS..SBendtrans-77-31.3-175.1-166.20000113.1D1563 L1564 T1575V1561-D1563 VanDerWaalsContact C-N 3.28Å; V1561-D1563 PolarHBondContact O-N 3.16Å; V1561-L1564 PolarHBondContact O-N 3.31Å; V1561-T1575 HydrophobicContact CG1-CG2 4.37Å
1562D81.6Confident91.5Very high152 Ų15249 Ų4981%0.81327%0.274SS*.THydrogen-bonded Turntrans-68.1-26.6-170-61-36.2000113.4L1564D1562-L1564 VanDerWaalsContact C-N 3.3Å; D1562-L1564 PolarHBondContact O-N 3.04Å
1563D76.5Confident91.5Very high51 Ų5153.1 Ų53.127%0.27330%0.296SS..THydrogen-bonded Turntrans-79.1-13.4-179.3-69.231.5000112.3R729 V1561 T1565R729-D1563 IonicContact CZ-OD1 3.07Å; R729-D1563 IonicContact CZ-OD2 3.53Å; R729-D1563 IonicContact NE-OD1 2.81Å; R729-D1563 PolarHBondContact NE-OD1 3.21Å; R729-D1563 IonicContact NE-OD2 3.5Å; R729-D1563 PolarHBondContact NE-OD2 3.48Å; R729-D1563 IonicContact NH2-OD1 3.96Å; R729-D1563 PolarHBondContact NH2-OD1 3.3Å; R729-D1563 IonicContact NH2-OD2 2.71Å; V1561-D1563 VanDerWaalsContact C-N 3.28Å; V1561-D1563 PolarHBondContact O-N 3.16Å; D1563-T1565 PolarHBondContact O-N 3.48Å
1564L90.2Very high91.4Very high1 Ų157 Ų571%0.00531%0.312CS..  trans-77.899.7-173.9-84.282000112.4Y1556 T1558 F1560 V1561 D1562 K1572 T1575 R1651 C1652 V1653Y1556-L1564 HydrophobicContact CD2-CD2 3.85Å; Y1556-L1564 HydrophobicContact CD2-CG 3.64Å; Y1556-L1564 HydrophobicContact CE2-CG 4.15Å; Y1556-L1564 HydrophobicContact CG-CD1 4.37Å; Y1556-L1564 HydrophobicContact CG-CD2 4.39Å; Y1556-L1564 HydrophobicContact CG-CG 3.94Å; T1558-L1564 HydrophobicContact CG2-CD1 3.9Å; F1560-L1564 WeakPolarHBondContact O-CD1 3.08Å; V1561-L1564 PolarHBondContact O-N 3.31Å; D1562-L1564 VanDerWaalsContact C-N 3.3Å; D1562-L1564 PolarHBondContact O-N 3.04Å; L1564-K1572 PolarHBondContact O-NZ 2.84Å; L1564-T1575 HydrophobicContact CB-CG2 4.17Å; L1564-T1575 HydrophobicContact CD2-CG2 4.42Å; L1564-R1651 HydrophobicContact CD1-CB 3.77Å; L1564-R1651 HydrophobicContact CD2-CB 3.65Å; L1564-R1651 HydrophobicContact CG-CB 4.39Å; L1564-C1652 VanDerWaalsContact CD2-O 3.31Å; L1564-C1652 WeakPolarHBondContact CD2-O 3.33Å; L1564-V1653 HydrophobicContact CB-CB 4.35Å; L1564-V1653 HydrophobicContact CD2-CB 4.14Å
1565T92.2Very high91.4Very high87 Ų8757.2 Ų57.253%0.53432%0.317SS..  trans-112.8144.8179.245.40000110.5Y1556 D1563Y1556-T1565 PolarHBondContact OH-O 2.72Å; D1563-T1565 PolarHBondContact O-N 3.48Å
1566C95.1Very high91.4Very high23 Ų2356.4 Ų56.416%0.15531%0.313CS..PPolyproline II helixtrans-78145.6172.6-79.20000110.8T1570 K1572 C1655C1566-T1570 WeakPolarHBondContact CB-OG1 3.39Å; C1566-K1572 HydrophobicContact CB-CB 4.45Å; C1566-K1572 WeakPolarHBondContact SG-CA 3.19Å; C1566-C1655 VanDerWaalsContact CA-SG 3.51Å; C1566-C1655 HydrophobicContact CB-CB 3.91Å; C1566-C1655 WeakPolarHBondContact CB-SG 3.48Å; C1566-C1655 VanDerWaalsContact SG-CA 3.57Å; C1566-C1655 WeakPolarHBondContact SG-CB 3.01Å; C1566-C1655 CovalentContact SG-SG 2.04Å; C1566-C1655 PolarHBondContact SG-SG 3.4Å
1567P93.7Very high91.6Very high7 Ų757.7 Ų57.75%0.04532%0.318CS..PPolyproline II helixtrans-51.5144.8174.1-27.434.1000113.4F1552 G1569 T1570 L1681 W1682F1552-P1567 HydrophobicContact CE2-CG 4.24Å; F1552-P1567 HydrophobicContact CZ-CG 4Å; P1567-G1569 PolarHBondContact O-N 2.77Å; P1567-T1570 WeakPolarHBondContact O-CB 3.32Å; P1567-T1570 PolarHBondContact O-N 3.19Å; P1567-T1570 PolarHBondContact O-OG1 3.28Å; P1567-L1681 HydrophobicContact CB-CB 3.9Å; P1567-L1681 HydrophobicContact CB-CD1 4.11Å; P1567-L1681 HydrophobicContact CB-CD2 3.83Å; P1567-L1681 HydrophobicContact CB-CG 4.17Å; P1567-L1681 HydrophobicContact CG-CB 4.13Å; P1567-L1681 HydrophobicContact CG-CD1 4.2Å; P1567-W1682 HydrophobicContact CG-CE3 4.11Å; P1567-W1682 HydrophobicContact CG-CZ3 4.04Å
1568T91.9Very high91.8Very high139 Ų13957.2 Ų57.285%0.85332%0.316SS*.THydrogen-bonded Turntrans-52.2123.6-178.1-54.10000112.1
1569G89.8Confident91.9Very high52 Ų5256.4 Ų56.454%0.53631%0.311SS..THydrogen-bonded Turntrans92.18.1-17600000114.8P1567 P1658P1567-G1569 PolarHBondContact O-N 2.77Å; G1569-P1658 WeakPolarHBondContact O-CD 3.18Å
1570T93.7Very high91.9Very high14 Ų1455.5 Ų55.59%0.08631%0.305CS..  trans-127.1148173.970.90000110.6F1552 C1566 P1567 E1656 A1657 M1773F1552-T1570 HydrophobicContact CE1-CG2 3.92Å; F1552-T1570 HydrophobicContact CZ-CG2 4.16Å; C1566-T1570 WeakPolarHBondContact CB-OG1 3.39Å; P1567-T1570 WeakPolarHBondContact O-CB 3.32Å; P1567-T1570 PolarHBondContact O-N 3.19Å; P1567-T1570 PolarHBondContact O-OG1 3.28Å; T1570-E1656 CarbonylContact C-O 3.59Å; T1570-E1656 WeakPolarHBondContact CA-O 3.22Å; T1570-E1656 VanDerWaalsContact CB-O 3.3Å; T1570-E1656 WeakPolarHBondContact CB-O 3.44Å; T1570-A1657 HydrophobicContact CG2-CB 3.94Å; T1570-M1773 HydrophobicContact CG2-CE 4.13Å; T1570-M1773 HydrophobicContact CG2-SD 3.72Å
1571N93.6Very high91.8Very high101 Ų10150.9 Ų50.954%0.5428%0.284SS..EExtended strand (participates in β ladder)trans-99.1140.7-174.4-54.7-45.1000111.8C1655 E1656N1571-C1655 CarbonylContact O-C 3.44Å; N1571-C1655 VanDerWaalsContact O-CA 3.25Å; N1571-C1655 WeakPolarHBondContact O-CA 3.46Å; N1571-E1656 HydrophobicContact CB-CB 4.24Å; N1571-E1656 PolarHBondContact N-O 3.42Å; N1571-E1656 PolarHBondContact ND2-OE2 2.84Å; N1571-E1656 PolarHBondContact O-N 2.77Å
1572K95Very high92.1Very high108 Ų10848.2 Ų48.247%0.4727%0.268SS..EExtended strand (participates in β ladder)trans-76.7120.9175.4-177168.9-1781730111.3L1564 C1566 V1653L1564-K1572 PolarHBondContact O-NZ 2.84Å; C1566-K1572 HydrophobicContact CB-CB 4.45Å; C1566-K1572 WeakPolarHBondContact SG-CA 3.19Å; K1572-V1653 HydrophobicContact CD-CG2 4.09Å; K1572-V1653 HydrophobicContact CG-CG2 3.78Å
1573L94.2Very high92.1Very high91 Ų9141.2 Ų41.248%0.47623%0.232SC..EExtended strand (participates in β ladder)trans-91.1-59.4173.6-75.4162.7000111.2L1551 V1654 E1656L1551-L1573 HydrophobicContact CD1-CD1 4.15Å; L1551-L1573 HydrophobicContact CD2-CD1 3.55Å; L1551-L1573 HydrophobicContact CG-CD1 4.43Å; L1573-V1654 HydrophobicContact CD1-CG1 4.09Å; L1573-V1654 PolarHBondContact N-O 3.03Å; L1573-E1656 HydrophobicContact CD1-CB 4.08Å; L1573-E1656 HydrophobicContact CG-CB 4.36Å
1574F94.8Very high92.2Very high82 Ų8239.4 Ų39.436%0.3623%0.225SC..EExtended strand (participates in β ladder)trans-157171.5177.766.4-92000111.7C1599 V1653 V1654F1574-C1599 HydrophobicContact CE2-CB 4.41Å; F1574-C1599 VanDerWaalsContact CE2-O 3.32Å; F1574-C1599 WeakPolarHBondContact CE2-O 3.26Å; F1574-V1653 WeakPolarHBondContact O-CA 3.48Å; F1574-V1653 WeakPolarHBondContact O-CG2 3.45Å; F1574-V1654 HydrophobicContact CD1-CB 4.13Å; F1574-V1654 HydrophobicContact CD1-CG2 4.49Å; F1574-V1654 HydrophobicContact CD2-CG2 4.42Å; F1574-V1654 HydrophobicContact CE1-CB 3.77Å; F1574-V1654 HydrophobicContact CE1-CG1 4.09Å; F1574-V1654 HydrophobicContact CE1-CG2 3.81Å; F1574-V1654 HydrophobicContact CE2-CB 4.34Å; F1574-V1654 HydrophobicContact CE2-CG2 3.73Å; F1574-V1654 HydrophobicContact CZ-CB 3.89Å; F1574-V1654 HydrophobicContact CZ-CG1 4.46Å; F1574-V1654 HydrophobicContact CZ-CG2 3.39Å; F1574-V1654 PolarHBondContact O-N 3.19Å
1575T96.8Very high91.2Very high33 Ų3341.1 Ų41.120%0.20224%0.236CC..EExtended strand (participates in β ladder)trans-119.5152.8170.952.90000111.3V1561 L1564 C1652 V1653V1561-T1575 HydrophobicContact CG1-CG2 4.37Å; L1564-T1575 HydrophobicContact CB-CG2 4.17Å; L1564-T1575 HydrophobicContact CD2-CG2 4.42Å; T1575-C1652 CarbonylContact C-O 2.99Å; T1575-C1652 WeakPolarHBondContact CA-O 3.29Å; T1575-C1652 WeakPolarHBondContact CB-O 3.26Å; T1575-V1653 HydrophobicContact CG2-CB 4.2Å; T1575-V1653 HydrophobicContact CG2-CG2 4.14Å
1576G95.9Very high90.3Very high0 Ų044.1 Ų44.10%025%0.249CC..EExtended strand (participates in β ladder)trans-151.8-163.6178.900000112.9L1600 R1651 C1652G1576-L1600 CarbonylContact C-O 3.48Å; G1576-L1600 WeakPolarHBondContact CA-O 3.31Å; G1576-R1651 VanDerWaalsContact C-NH1 3.31Å; G1576-R1651 WeakPolarHBondContact O-CA 3.31Å; G1576-R1651 PolarHBondContact O-NE 3.45Å; G1576-R1651 PolarHBondContact O-NH1 3.3Å; G1576-C1652 PolarHBondContact N-O 2.64Å; G1576-C1652 PolarHBondContact O-N 3.14Å; G1576-C1652 PolarHBondContact O-SG 2.89Å; G1576-C1652 VanDerWaalsContact O-SG 3.35Å
1577Y96.6Very high89.4Confident63 Ų6347.9 Ų47.925%0.24727%0.267CS..EExtended strand (participates in β ladder)trans-101.4146172.5-59.7-94.1000109.6Y1579 L1600 F1603 I1649 C1652Y1577-Y1579 PolarHBondContact O-N 2.88Å; Y1577-Y1579 VanDerWaalsContact O-N 3.12Å; Y1577-L1600 PolarHBondContact N-O 3.15Å; Y1577-L1600 PolarHBondContact O-N 3.07Å; Y1577-L1600 VanDerWaalsContact O-N 3.08Å; Y1577-F1603 HydrophobicContact CD1-CB 3.8Å; Y1577-F1603 HydrophobicContact CD1-CG 4.42Å; Y1577-F1603 HydrophobicContact CD2-CB 3.56Å; Y1577-F1603 HydrophobicContact CE1-CB 3.83Å; Y1577-F1603 HydrophobicContact CE2-CB 3.61Å; Y1577-F1603 VanDerWaalsContact CE2-N 3.31Å; Y1577-F1603 HydrophobicContact CG-CB 3.65Å; Y1577-I1649 HydrophobicContact CD1-CB 4.17Å; Y1577-I1649 HydrophobicContact CD1-CG2 3.71Å; Y1577-I1649 HydrophobicContact CG-CG2 4.31Å; Y1577-C1652 VanDerWaalsContact C-SG 3.51Å; Y1577-C1652 PolarHBondContact O-SG 2.83Å; Y1577-C1652 VanDerWaalsContact O-SG 3.33Å
1578S96.2Very high88.8Confident0 Ų048.9 Ų48.90%027%0.272CS..EExtended strand (participates in β ladder)trans-82.191.3-171.6-59.90000111.3H1555 W1628 L1629 A1650 R1651H1555-S1578 WeakPolarHBondContact ND1-CB 3.32Å; H1555-S1578 PolarHBondContact ND1-OG 3Å; S1578-W1628 CarbonylContact O-C 3.59Å; S1578-W1628 WeakPolarHBondContact O-CA 3.47Å; S1578-L1629 VanDerWaalsContact CB-CB 3.42Å; S1578-L1629 PolarHBondContact O-N 2.82Å; S1578-A1650 WeakPolarHBondContact CB-O 3.38Å; S1578-A1650 PolarHBondContact N-O 2.83Å; S1578-A1650 VanDerWaalsContact OG-C 3.28Å; S1578-A1650 PolarHBondContact OG-O 3.21Å; S1578-R1651 PolarHBondContact OG-O 3.46Å
1579Y94.9Very high88.6Confident4 Ų446.2 Ų46.22%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-85.3133.8-179.9-175.3-123.1000111.3Y1577 M1581 G1582 M1591 S1598 L1600 P1607 M1608 W1628Y1577-Y1579 PolarHBondContact O-N 2.88Å; Y1577-Y1579 VanDerWaalsContact O-N 3.12Å; Y1579-M1581 WeakPolarHBondContact CE2-O 2.99Å; Y1579-M1581 VanDerWaalsContact CZ-C 3.49Å; Y1579-M1581 PolarHBondContact OH-O 3.49Å; Y1579-G1582 VanDerWaalsContact OH-CA 3.23Å; Y1579-G1582 WeakPolarHBondContact OH-CA 3.25Å; Y1579-G1582 PolarHBondContact OH-N 2.76Å; Y1579-M1591 HydrophobicContact CD1-CG 3.9Å; Y1579-M1591 HydrophobicContact CE1-CE 4.12Å; Y1579-M1591 HydrophobicContact CE1-CG 3.94Å; Y1579-S1598 WeakPolarHBondContact CB-O 3.07Å; Y1579-S1598 PolarHBondContact N-O 3.15Å; Y1579-S1598 WeakPolarHBondContact O-CA 3.36Å; Y1579-S1598 WeakPolarHBondContact O-CB 3.11Å; Y1579-L1600 HydrophobicContact CD1-CD1 3.59Å; Y1579-L1600 HydrophobicContact CD1-CG 4.05Å; Y1579-L1600 HydrophobicContact CD2-CD1 3.99Å; Y1579-L1600 HydrophobicContact CE1-CD1 4.17Å; Y1579-L1600 HydrophobicContact CG-CD1 3.49Å; Y1579-L1600 VanDerWaalsContact CG-CD1 3.49Å; Y1579-L1600 HydrophobicContact CG-CG 4Å; Y1579-P1607 HydrophobicContact CD2-CG 4.14Å; Y1579-P1607 HydrophobicContact CE1-CG 4.49Å; Y1579-P1607 HydrophobicContact CE2-CG 3.54Å; Y1579-M1608 WeakPolarHBondContact OH-CE 3.26Å; Y1579-W1628 HydrophobicContact CD2-CD2 4.08Å; Y1579-W1628 AromaticContact CD2-CE2 3.89Å; Y1579-W1628 HydrophobicContact CD2-CE3 4.11Å; Y1579-W1628 AromaticContact CD2-CH2 3.84Å; Y1579-W1628 HydrophobicContact CD2-CH2 3.84Å; Y1579-W1628 AromaticContact CD2-CZ2 3.78Å; Y1579-W1628 HydrophobicContact CD2-CZ2 3.78Å; Y1579-W1628 AromaticContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CE2-CZ2 4.3Å; Y1579-W1628 HydrophobicContact CG-CH2 4.31Å; Y1579-W1628 HydrophobicContact CG-CZ3 4.24Å
1580V92.6Very high88.6Confident1 Ų146 Ų461%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-114.9-46.3-172.5-173.30000111.4M1591 L1593 Y1627 L1629 H1690V1580-M1591 PolarHBondContact O-N 3.03Å; V1580-L1593 HydrophobicContact CG2-CD2 4.28Å; V1580-Y1627 WeakPolarHBondContact CA-O 3.31Å; V1580-Y1627 WeakPolarHBondContact CB-O 3.31Å; V1580-Y1627 PolarHBondContact N-O 2.79Å; V1580-L1629 HydrophobicContact CG2-CB 3.97Å; V1580-L1629 HydrophobicContact CG2-CD1 4.3Å; V1580-L1629 VanDerWaalsContact CG2-N 3.28Å; V1580-H1690 WeakPolarHBondContact CG1-CE1 3.12Å; V1580-H1690 WeakPolarHBondContact CG1-NE2 3.23Å
1581M90Very high88.5Confident4 Ų447.6 Ų47.62%0.0225%0.252CS..EExtended strand (participates in β ladder)trans-163.2158.1-175.7172.2-163.5-72.900111.2Y1579 L1588 V1589 S1626 Y1627 H1690 G1696 G1697Y1579-M1581 WeakPolarHBondContact CE2-O 2.99Å; Y1579-M1581 VanDerWaalsContact CZ-C 3.49Å; Y1579-M1581 PolarHBondContact OH-O 3.49Å; M1581-L1588 HydrophobicContact CG-CB 4.04Å; M1581-L1588 HydrophobicContact CG-CD2 4.28Å; M1581-L1588 HydrophobicContact SD-CB 3.83Å; M1581-L1588 HydrophobicContact SD-CD1 4.1Å; M1581-L1588 HydrophobicContact SD-CD2 4.35Å; M1581-L1588 HydrophobicContact SD-CG 4.32Å; M1581-V1589 CarbonylContact C-O 3.52Å; M1581-V1589 WeakPolarHBondContact CA-O 3.08Å; M1581-V1589 WeakPolarHBondContact CG-O 3.48Å; M1581-S1626 WeakPolarHBondContact O-CA 3.08Å; M1581-Y1627 HydrophobicContact CB-CD2 3.96Å; M1581-Y1627 HydrophobicContact CB-CG 4.43Å; M1581-Y1627 HydrophobicContact CG-CD2 3.92Å; M1581-Y1627 PolarHBondContact N-O 2.94Å; M1581-Y1627 PolarHBondContact O-N 3.43Å; M1581-Y1627 HydrophobicContact SD-CD2 3.6Å; M1581-Y1627 HydrophobicContact SD-CE2 3.82Å; M1581-Y1627 HydrophobicContact SD-CG 4.44Å; M1581-H1690 WeakPolarHBondContact CE-NE2 3.5Å; M1581-G1696 WeakPolarHBondContact CE-O 3.42Å; M1581-G1697 VanDerWaalsContact CE-N 3.33Å
1582G88.4Confident88.6Confident0 Ų043.9 Ų43.90%023%0.232CC..EExtended strand (participates in β ladder)trans179.2176161.700000114.3Y1579 V1589 R1625Y1579-G1582 VanDerWaalsContact OH-CA 3.23Å; Y1579-G1582 WeakPolarHBondContact OH-CA 3.25Å; Y1579-G1582 PolarHBondContact OH-N 2.76Å; G1582-V1589 PolarHBondContact N-O 3.49Å; G1582-V1589 PolarHBondContact O-N 2.88Å; G1582-R1625 CarbonylContact C-O 3.19Å; G1582-R1625 WeakPolarHBondContact CA-O 3.19Å
1583G82.3Confident88.6Confident5 Ų538.9 Ų38.95%0.05221%0.211CC..EExtended strand (participates in β ladder)trans146.4-174.4-172.700000112M1608 E1624 R1625G1583-M1608 VanDerWaalsContact CA-SD 3.53Å; G1583-E1624 CarbonylContact O-C 3.3Å; G1583-E1624 VanDerWaalsContact O-CA 3.24Å; G1583-E1624 WeakPolarHBondContact O-CA 3.44Å; G1583-R1625 PolarHBondContact N-O 2.75Å; G1583-R1625 VanDerWaalsContact N-O 3.1Å; G1583-R1625 PolarHBondContact O-N 2.99Å
1584G78.5Confident88.7Confident12 Ų1234.8 Ų34.812%0.12419%0.19CC..SBendtrans-60.7155.6158.100000110.1D1586 D1587 L1588G1584-D1586 VanDerWaalsContact C-N 3.26Å; G1584-D1586 PolarHBondContact O-N 2.93Å; G1584-D1587 CarbonylContact O-C 3.56Å; G1584-D1587 PolarHBondContact O-N 2.99Å; G1584-L1588 PolarHBondContact O-N 2.75Å
1585V69.6Low88.7Confident37 Ų3733 Ų3322%0.22419%0.187CC..G310 helixtrans-51.2-45.1-173-1740000112.3L1588 H1623 H1695V1585-L1588 WeakPolarHBondContact O-CG 3.44Å; V1585-H1623 HydrophobicContact CG2-CB 3.98Å; V1585-H1623 WeakPolarHBondContact CG2-O 3.34Å; V1585-H1695 WeakPolarHBondContact CG1-NE2 3.15Å
1586D72.4Confident88.7Confident151 Ų15133.4 Ų33.481%0.80719%0.19SC*.G310 helixtrans-77.4-22.2-178-47.2-78.2000113.7G1584G1584-D1586 VanDerWaalsContact C-N 3.26Å; G1584-D1586 PolarHBondContact O-N 2.93Å
1587D77.4Confident88.5Confident102 Ų10236.4 Ų36.455%0.54521%0.21SC..G310 helixtrans-113.231.8-172.6-81.1-35.6000112.1G1584 V1589 Q1610G1584-D1587 CarbonylContact O-C 3.56Å; G1584-D1587 PolarHBondContact O-N 2.99Å; D1587-V1589 PolarHBondContact O-N 2.79Å; D1587-V1589 VanDerWaalsContact O-N 3.11Å; D1587-Q1610 PolarHBondContact OD2-NE2 3.32Å
1588L81.3Confident88.5Confident28 Ų2833.4 Ų33.415%0.14720%0.199CC..  trans-67.1107.8-177.4-77.3173.2000112.9M1581 G1584 V1585 R1625 Y1627 H1695M1581-L1588 HydrophobicContact CG-CB 4.04Å; M1581-L1588 HydrophobicContact CG-CD2 4.28Å; M1581-L1588 HydrophobicContact SD-CB 3.83Å; M1581-L1588 HydrophobicContact SD-CD1 4.1Å; M1581-L1588 HydrophobicContact SD-CD2 4.35Å; M1581-L1588 HydrophobicContact SD-CG 4.32Å; G1584-L1588 PolarHBondContact O-N 2.75Å; V1585-L1588 WeakPolarHBondContact O-CG 3.44Å; L1588-R1625 HydrophobicContact CD2-CB 4.33Å; L1588-Y1627 HydrophobicContact CD1-CE2 3.94Å; L1588-Y1627 HydrophobicContact CD2-CD2 4.5Å; L1588-Y1627 HydrophobicContact CD2-CE2 4Å; L1588-H1695 HydrophobicContact CD1-CB 3.52Å
1589V86.9Confident88.6Confident82 Ų8233.6 Ų33.650%0.49720%0.2SC..EExtended strand (participates in β ladder)trans-90121.2179.7-177.70000110.7M1581 G1582 D1587 M1591M1581-V1589 CarbonylContact C-O 3.52Å; M1581-V1589 WeakPolarHBondContact CA-O 3.08Å; M1581-V1589 WeakPolarHBondContact CG-O 3.48Å; G1582-V1589 PolarHBondContact N-O 3.49Å; G1582-V1589 PolarHBondContact O-N 2.88Å; D1587-V1589 PolarHBondContact O-N 2.79Å; D1587-V1589 VanDerWaalsContact O-N 3.11Å; V1589-M1591 HydrophobicContact CG1-CE 4.32Å
1590S89.7Confident88.6Confident47 Ų4735.8 Ų35.833%0.32921%0.212SC..EExtended strand (participates in β ladder)trans-90.9145.1175.768.70000113.6G1697S1590-G1697 WeakPolarHBondContact OG-CA 3.34Å
1591M91.7Very high88.7Confident48 Ų4839.8 Ų39.824%0.23624%0.24CC..  trans-108.1143178.8-62.3-65.3171.600111.4Y1579 V1580 V1589 Q1699Y1579-M1591 HydrophobicContact CD1-CG 3.9Å; Y1579-M1591 HydrophobicContact CE1-CE 4.12Å; Y1579-M1591 HydrophobicContact CE1-CG 3.94Å; V1580-M1591 PolarHBondContact O-N 3.03Å; V1589-M1591 HydrophobicContact CG1-CE 4.32Å; M1591-Q1699 PolarHBondContact O-NE2 3.35Å
1592D94.9Very high88.9Confident23 Ų2347.8 Ų47.812%0.12327%0.274CS..  trans-81.5120.3170.5-175.4-57.5000109.7G1594 T1595 Q1700 S1703D1592-G1594 PolarHBondContact O-N 3.16Å; D1592-G1594 VanDerWaalsContact O-N 3.15Å; D1592-G1594 PolarHBondContact OD1-N 3.02Å; D1592-T1595 HydrophobicContact CB-CG2 3.92Å; D1592-T1595 WeakPolarHBondContact O-CB 3.18Å; D1592-T1595 PolarHBondContact O-N 2.68Å; D1592-T1595 PolarHBondContact O-OG1 3.41Å; D1592-Q1700 PolarHBondContact OD2-N 3.14Å; D1592-Q1700 VanDerWaalsContact OD2-N 3.09Å; D1592-S1703 VanDerWaalsContact OD1-CB 3.29Å; D1592-S1703 WeakPolarHBondContact OD1-CB 3.5Å; D1592-S1703 PolarHBondContact OD1-OG 3.44Å; D1592-S1703 VanDerWaalsContact OD2-CB 3.3Å; D1592-S1703 WeakPolarHBondContact OD2-CB 3.37Å; D1592-S1703 PolarHBondContact OD2-OG 3.17Å
1593L95.7Very high89.1Confident4 Ų449.9 Ų49.92%0.02128%0.284CS..THydrogen-bonded Turntrans-67.2-8.8-174.8-62.6173.6000113.7H1555 V1580 L1629 L1687 Q1699 G1705H1555-L1593 PolarHBondContact CD2-O 2.64Å; H1555-L1593 PolarHBondContact NE2-O 2.77Å; V1580-L1593 HydrophobicContact CG2-CD2 4.28Å; L1593-L1629 HydrophobicContact CD1-CD1 4.07Å; L1593-L1687 HydrophobicContact CD1-CD2 3.99Å; L1593-Q1699 VanDerWaalsContact CB-OE1 3.26Å; L1593-G1705 VanDerWaalsContact C-CA 3.49Å
1594G95.9Very high89.4Confident4 Ų451.8 Ų51.84%0.04130%0.296CS..THydrogen-bonded Turntrans-86.5-11169.900000113.1F1552 A1553 D1592 S1703F1552-G1594 CarbonylContact C-O 3.49Å; F1552-G1594 WeakPolarHBondContact CA-O 3.23Å; F1552-G1594 WeakPolarHBondContact CB-O 3.4Å; A1553-G1594 PolarHBondContact N-O 2.89Å; D1592-G1594 PolarHBondContact O-N 3.16Å; D1592-G1594 VanDerWaalsContact O-N 3.15Å; D1592-G1594 PolarHBondContact OD1-N 3.02Å; G1594-S1703 WeakPolarHBondContact CA-OG 3.48Å
1595T95.5Very high89.9Confident46 Ų4652.2 Ų52.228%0.28230%0.297SS..SBendtrans-95150.7-175700000112.1A1553 D1592 S1597 S1598A1553-T1595 VanDerWaalsContact CB-O 3.26Å; A1553-T1595 WeakPolarHBondContact CB-O 3.4Å; D1592-T1595 HydrophobicContact CB-CG2 3.92Å; D1592-T1595 WeakPolarHBondContact O-CB 3.18Å; D1592-T1595 PolarHBondContact O-N 2.68Å; D1592-T1595 PolarHBondContact O-OG1 3.41Å; T1595-S1597 WeakPolarHBondContact CB-OG 3.38Å; T1595-S1597 PolarHBondContact O-N 3.05Å; T1595-S1597 PolarHBondContact OG1-OG 2.7Å; T1595-S1598 PolarHBondContact O-N 3.37Å; T1595-S1598 PolarHBondContact O-OG 2.68Å
1596P96.1Very high90.5Very high41 Ų4150.9 Ų50.927%0.26629%0.289SS..G310 helixtrans-55.6-24.5175.5-28.236.8000115L1551 S1598 C1599 V1654L1551-P1596 HydrophobicContact CB-CG 3.56Å; L1551-P1596 HydrophobicContact CD1-CG 4.37Å; P1596-S1598 VanDerWaalsContact C-N 3.32Å; P1596-S1598 PolarHBondContact O-N 3Å; P1596-C1599 PolarHBondContact O-N 3Å; P1596-C1599 VanDerWaalsContact O-N 3.09Å; P1596-V1654 HydrophobicContact CB-CG1 3.95Å; P1596-V1654 HydrophobicContact CB-CG2 4.18Å; P1596-V1654 HydrophobicContact CG-CG1 3.99Å
1597S93Very high91.2Very high62 Ų6246 Ų4643%0.43427%0.265SS..G310 helixtrans-65.1-26.6179.89.60000114.6T1595 C1599T1595-S1597 WeakPolarHBondContact CB-OG 3.38Å; T1595-S1597 PolarHBondContact O-N 3.05Å; T1595-S1597 PolarHBondContact OG1-OG 2.7Å; S1597-C1599 PolarHBondContact O-N 2.64Å
1598S96.2Very high91.3Very high0 Ų044.1 Ų44.10%025%0.254CS..G310 helixtrans-74.7-6.9172.562.20000113.1H1555 Y1579 T1595 P1596H1555-S1598 PolarHBondContact CE1-O 3.05Å; H1555-S1598 PolarHBondContact CE1-OG 3.22Å; H1555-S1598 WeakPolarHBondContact NE2-CB 3.32Å; H1555-S1598 PolarHBondContact NE2-OG 3.29Å; Y1579-S1598 WeakPolarHBondContact CB-O 3.07Å; Y1579-S1598 PolarHBondContact N-O 3.15Å; Y1579-S1598 WeakPolarHBondContact O-CA 3.36Å; Y1579-S1598 WeakPolarHBondContact O-CB 3.11Å; T1595-S1598 PolarHBondContact O-N 3.37Å; T1595-S1598 PolarHBondContact O-OG 2.68Å; P1596-S1598 VanDerWaalsContact C-N 3.32Å; P1596-S1598 PolarHBondContact O-N 3Å
1599C97.2Very high91.3Very high4 Ų446 Ų463%0.02727%0.267CS..EExtended strand (participates in β ladder)trans-112.889.2-175.9-165.20000111.2A1553 F1574 P1596 S1597 C1652 V1654A1553-C1599 HydrophobicContact CB-CB 4.31Å; F1574-C1599 HydrophobicContact CE2-CB 4.41Å; F1574-C1599 VanDerWaalsContact CE2-O 3.32Å; F1574-C1599 WeakPolarHBondContact CE2-O 3.26Å; P1596-C1599 PolarHBondContact O-N 3Å; P1596-C1599 VanDerWaalsContact O-N 3.09Å; S1597-C1599 PolarHBondContact O-N 2.64Å; C1599-C1652 WeakPolarHBondContact CA-SG 3.22Å; C1599-C1652 HydrophobicContact CB-CB 3.89Å; C1599-C1652 WeakPolarHBondContact CB-SG 3.08Å; C1599-C1652 WeakPolarHBondContact SG-CB 3.11Å; C1599-C1652 CovalentContact SG-SG 2.03Å; C1599-C1652 PolarHBondContact SG-SG 3.5Å; C1599-V1654 HydrophobicContact CB-CG2 3.58Å
1600L96.2Very high90.8Very high51 Ų5145.9 Ų45.927%0.26726%0.261SS..EExtended strand (participates in β ladder)trans-85.9124.1-178.8-63.3-176.2000110.6G1576 Y1577 Y1579 K1602 P1607 W1628G1576-L1600 CarbonylContact C-O 3.48Å; G1576-L1600 WeakPolarHBondContact CA-O 3.31Å; Y1577-L1600 PolarHBondContact N-O 3.15Å; Y1577-L1600 PolarHBondContact O-N 3.07Å; Y1577-L1600 VanDerWaalsContact O-N 3.08Å; Y1579-L1600 HydrophobicContact CD1-CD1 3.59Å; Y1579-L1600 HydrophobicContact CD1-CG 4.05Å; Y1579-L1600 HydrophobicContact CD2-CD1 3.99Å; Y1579-L1600 HydrophobicContact CE1-CD1 4.17Å; Y1579-L1600 HydrophobicContact CG-CD1 3.49Å; Y1579-L1600 VanDerWaalsContact CG-CD1 3.49Å; Y1579-L1600 HydrophobicContact CG-CG 4Å; L1600-K1602 WeakPolarHBondContact CB-O 3.4Å; L1600-K1602 PolarHBondContact O-N 3.07Å; L1600-K1602 VanDerWaalsContact O-N 3.16Å; L1600-P1607 HydrophobicContact CD1-CB 3.62Å; L1600-P1607 HydrophobicContact CD1-CG 3.96Å; L1600-W1628 HydrophobicContact CB-CH2 4.32Å; L1600-W1628 HydrophobicContact CB-CZ3 4.36Å; L1600-W1628 HydrophobicContact CD1-CH2 3.8Å; L1600-W1628 HydrophobicContact CD1-CZ3 4.34Å
1601S94.5Very high90.3Very high85 Ų8547 Ų4759%0.59427%0.268SS*.SBendtrans-63.3-22.7-176.357.90000113.8
1602K92.8Very high89.7Confident171 Ų17149.5 Ų49.574%0.74328%0.279SS*.SBendtrans-121.7148.2171.1-65-172.9176.1-171.20110.3L1600L1600-K1602 WeakPolarHBondContact CB-O 3.4Å; L1600-K1602 PolarHBondContact O-N 3.07Å; L1600-K1602 VanDerWaalsContact O-N 3.16Å
1603F92.6Very high89Confident45 Ų4560.7 Ų60.720%0.19732%0.32CS..  trans-90.9154.8168.9173.6-114000110Y1577 W1628 V1642 T1645 I1649Y1577-F1603 HydrophobicContact CD1-CB 3.8Å; Y1577-F1603 HydrophobicContact CD1-CG 4.42Å; Y1577-F1603 HydrophobicContact CD2-CB 3.56Å; Y1577-F1603 HydrophobicContact CE1-CB 3.83Å; Y1577-F1603 HydrophobicContact CE2-CB 3.61Å; Y1577-F1603 VanDerWaalsContact CE2-N 3.31Å; Y1577-F1603 HydrophobicContact CG-CB 3.65Å; F1603-W1628 AromaticContact CD2-CD2 3.77Å; F1603-W1628 HydrophobicContact CD2-CD2 3.77Å; F1603-W1628 AromaticContact CD2-CE2 3.59Å; F1603-W1628 AromaticContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CG 4.43Å; F1603-W1628 AromaticContact CD2-CH2 3.88Å; F1603-W1628 HydrophobicContact CD2-CH2 3.88Å; F1603-W1628 AromaticContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ3 4.04Å; F1603-W1628 AromaticContact CE2-CD1 3.85Å; F1603-W1628 AromaticContact CE2-CD2 3.76Å; F1603-W1628 HydrophobicContact CE2-CD2 3.76Å; F1603-W1628 AromaticContact CE2-CE2 3.55Å; F1603-W1628 HydrophobicContact CE2-CE3 4.4Å; F1603-W1628 AromaticContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CZ2 4.04Å; F1603-W1628 AromaticContact CE2-NE1 3.59Å; F1603-V1642 HydrophobicContact CE1-CG1 3.98Å; F1603-T1645 VanDerWaalsContact CE1-OG1 3.27Å; F1603-T1645 WeakPolarHBondContact CE1-OG1 3.4Å; F1603-T1645 WeakPolarHBondContact CZ-OG1 3.43Å; F1603-I1649 HydrophobicContact CD2-CG1 4.13Å; F1603-I1649 HydrophobicContact CD2-CG2 4.19Å; F1603-I1649 HydrophobicContact CE1-CG1 4.42Å; F1603-I1649 HydrophobicContact CE2-CD1 3.72Å; F1603-I1649 HydrophobicContact CE2-CG1 3.69Å; F1603-I1649 HydrophobicContact CE2-CG2 4.38Å; F1603-I1649 HydrophobicContact CZ-CD1 3.94Å; F1603-I1649 HydrophobicContact CZ-CG1 3.86Å
1604S89.3Confident88.3Confident45 Ų4565 Ų6532%0.31534%0.342SS..  trans-160.7151169-178.80000108L1606 W1628S1604-L1606 VanDerWaalsContact CB-O 3.26Å; S1604-L1606 WeakPolarHBondContact CB-O 3.41Å; S1604-L1606 PolarHBondContact O-N 3.05Å; S1604-L1606 VanDerWaalsContact OG-C 3.28Å; S1604-L1606 PolarHBondContact OG-N 3.45Å; S1604-L1606 VanDerWaalsContact OG-N 3.11Å; S1604-L1606 PolarHBondContact OG-O 2.91Å; S1604-W1628 WeakPolarHBondContact O-CZ2 3.32Å
1605S88.1Confident87.6Confident20 Ų2071.1 Ų71.114%0.1438%0.379CS..SBendtrans-62.6-20.116650.10000112.4S1626S1605-S1626 WeakPolarHBondContact O-CB 3.12Å; S1605-S1626 PolarHBondContact O-OG 2.99Å
1606L83.8Confident86.9Confident10 Ų1072.1 Ų72.15%0.05239%0.385CS..  trans-142.2109.7167.9-175.167.6000110.4S1604 M1608 E1624 N1721S1604-L1606 VanDerWaalsContact CB-O 3.26Å; S1604-L1606 WeakPolarHBondContact CB-O 3.41Å; S1604-L1606 PolarHBondContact O-N 3.05Å; S1604-L1606 VanDerWaalsContact OG-C 3.28Å; S1604-L1606 PolarHBondContact OG-N 3.45Å; S1604-L1606 VanDerWaalsContact OG-N 3.11Å; S1604-L1606 PolarHBondContact OG-O 2.91Å; L1606-M1608 VanDerWaalsContact C-N 3.31Å; L1606-M1608 HydrophobicContact CD1-CG 3.96Å; L1606-M1608 WeakPolarHBondContact CD2-O 3.22Å; L1606-M1608 HydrophobicContact CG-CG 4.49Å; L1606-M1608 WeakPolarHBondContact CG-O 3.26Å; L1606-M1608 PolarHBondContact O-N 3.33Å; L1606-E1624 HydrophobicContact CD1-CB 3.56Å; L1606-E1624 HydrophobicContact CD1-CG 4.47Å; L1606-E1624 HydrophobicContact CD2-CB 4.18Å; L1606-E1624 VanDerWaalsContact CD2-CD 3.44Å; L1606-E1624 HydrophobicContact CD2-CG 4.44Å; L1606-E1624 WeakPolarHBondContact CD2-OE1 3.39Å; L1606-E1624 VanDerWaalsContact CD2-OE2 3.26Å; L1606-E1624 WeakPolarHBondContact CD2-OE2 3.24Å; L1606-E1624 HydrophobicContact CG-CB 4.5Å; L1606-N1721 HydrophobicContact CB-CB 4.13Å
1607P86.1Confident86.2Confident48 Ų4873.7 Ų73.731%0.31240%0.397SS..SBendtrans-89.213.8179.434.4-34.3000114Y1579 L1600 W1628Y1579-P1607 HydrophobicContact CD2-CG 4.14Å; Y1579-P1607 HydrophobicContact CE1-CG 4.49Å; Y1579-P1607 HydrophobicContact CE2-CG 3.54Å; L1600-P1607 HydrophobicContact CD1-CB 3.62Å; L1600-P1607 HydrophobicContact CD1-CG 3.96Å; P1607-W1628 HydrophobicContact CB-CZ2 4.36Å; P1607-W1628 HydrophobicContact CG-CH2 4.47Å; P1607-W1628 HydrophobicContact CG-CZ2 4.02Å
1608M80.9Confident85.2Confident62 Ų6273.2 Ų73.231%0.30539%0.388SS..  trans-144.7-176.2-176.66617765.700112.2Y1579 G1583 L1606Y1579-M1608 WeakPolarHBondContact OH-CE 3.26Å; G1583-M1608 VanDerWaalsContact CA-SD 3.53Å; L1606-M1608 VanDerWaalsContact C-N 3.31Å; L1606-M1608 HydrophobicContact CD1-CG 3.96Å; L1606-M1608 WeakPolarHBondContact CD2-O 3.22Å; L1606-M1608 HydrophobicContact CG-CG 4.49Å; L1606-M1608 WeakPolarHBondContact CG-O 3.26Å; L1606-M1608 PolarHBondContact O-N 3.33Å
1609T80.4Confident84.1Confident69 Ų6976 Ų7642%0.42341%0.407SS..  trans-156.1132.6-176.8-68.10000107.4C1617 Q1618 S1619T1609-C1617 HydrophobicContact CG2-CB 4Å; T1609-Q1618 WeakPolarHBondContact CG2-O 3.45Å; T1609-S1619 WeakPolarHBondContact OG1-CB 3.18Å; T1609-S1619 PolarHBondContact OG1-OG 3.08Å; T1609-S1619 VanDerWaalsContact OG1-OG 3.04Å
1610Q76.2Confident82.8Confident78 Ų7878.6 Ų78.636%0.36443%0.425SS..EExtended strand (participates in β ladder)trans-94.8138.6176.3-156169.928.800109.6D1587 Q1618D1587-Q1610 PolarHBondContact OD2-NE2 3.32Å; Q1610-Q1618 PolarHBondContact N-O 2.69Å; Q1610-Q1618 PolarHBondContact O-N 3.08Å
1611C80.1Confident81Confident71 Ų7182.6 Ų82.648%0.4844%0.444SS..EExtended strand (participates in β ladder)trans-123.7133.5178-54.40000110.3T1616 C1617C1611-T1616 CarbonylContact C-O 3.53Å; C1611-T1616 WeakPolarHBondContact CA-O 3.26Å; C1611-C1617 HydrophobicContact CB-CB 4.05Å; C1611-C1617 WeakPolarHBondContact CB-SG 3.42Å; C1611-C1617 WeakPolarHBondContact SG-CB 3.45Å; C1611-C1617 CovalentContact SG-SG 2.04Å; C1611-C1617 PolarHBondContact SG-SG 3.23Å
1612E78Confident79.7Confident100 Ų10083.5 Ų83.547%0.46744%0.435SS..  trans-84.9168.4175.9-67.3-166.2-164.500111.3D1614 T1615 T1616 R1622E1612-D1614 WeakPolarHBondContact CB-OD1 3.45Å; E1612-D1614 PolarHBondContact O-N 3.07Å; E1612-T1615 PolarHBondContact O-N 2.04Å; E1612-T1616 PolarHBondContact N-O 2.7Å; E1612-R1622 IonicContact OE1-CZ 2.64Å; E1612-R1622 IonicContact OE1-NH1 2.7Å; E1612-R1622 IonicContact OE1-NH2 3.76Å; E1612-R1622 PolarHBondContact OE1-NH2 3.11Å
1613R80.7Confident78.9Confident259 Ų25981.5 Ų81.598%0.97743%0.427SS*.THydrogen-bonded Turntrans-71.1-13.5-174.1-76-173-179.9168.32.5114.3T1615R1613-T1615 PolarHBondContact O-N 3.5Å
1614D81.2Confident78.3Confident94 Ų9479.5 Ų79.550%0.50342%0.419SS..THydrogen-bonded Turntrans-79.90.7177.770.8-28.2000113.3E1612 T1616E1612-D1614 WeakPolarHBondContact CB-OD1 3.45Å; E1612-D1614 PolarHBondContact O-N 3.07Å; D1614-T1616 VanDerWaalsContact CG-OG1 3.29Å; D1614-T1616 VanDerWaalsContact OD1-CB 3.31Å; D1614-T1616 WeakPolarHBondContact OD1-CB 3.41Å; D1614-T1616 PolarHBondContact OD1-N 3.17Å; D1614-T1616 PolarHBondContact OD1-OG1 2.75Å; D1614-T1616 VanDerWaalsContact OD2-CB 3.26Å; D1614-T1616 WeakPolarHBondContact OD2-CB 3.01Å; D1614-T1616 PolarHBondContact OD2-OG1 3.26Å
1615T79.8Confident78.1Confident133 Ų13380.8 Ų80.882%0.81642%0.417SS*.SBendtrans78.14.3-171.573.10000116E1612 R1613E1612-T1615 PolarHBondContact O-N 2.04Å; R1613-T1615 PolarHBondContact O-N 3.5Å
1616T81.4Confident78.2Confident66 Ų6679.9 Ų79.941%0.40541%0.41SS..  trans-77.5123.8172.2-57.70000110.6C1611 E1612 D1614 Q1618C1611-T1616 CarbonylContact C-O 3.53Å; C1611-T1616 WeakPolarHBondContact CA-O 3.26Å; E1612-T1616 PolarHBondContact N-O 2.7Å; D1614-T1616 VanDerWaalsContact CG-OG1 3.29Å; D1614-T1616 VanDerWaalsContact OD1-CB 3.31Å; D1614-T1616 WeakPolarHBondContact OD1-CB 3.41Å; D1614-T1616 PolarHBondContact OD1-N 3.17Å; D1614-T1616 PolarHBondContact OD1-OG1 2.75Å; D1614-T1616 VanDerWaalsContact OD2-CB 3.26Å; D1614-T1616 WeakPolarHBondContact OD2-CB 3.01Å; D1614-T1616 PolarHBondContact OD2-OG1 3.26Å; T1616-Q1618 HydrophobicContact CG2-CG 4.38Å
1617C81.1Confident78.6Confident75 Ų7579.8 Ų79.851%0.50741%0.409SS..EExtended strand (participates in β ladder)trans-104.9126.5171.2-67.60000110.4T1609 C1611T1609-C1617 HydrophobicContact CG2-CB 4Å; C1611-C1617 HydrophobicContact CB-CB 4.05Å; C1611-C1617 WeakPolarHBondContact CB-SG 3.42Å; C1611-C1617 WeakPolarHBondContact SG-CB 3.45Å; C1611-C1617 CovalentContact SG-SG 2.04Å; C1611-C1617 PolarHBondContact SG-SG 3.23Å
1618Q72.5Confident79Confident52 Ų5277.5 Ų77.524%0.24339%0.394CS..EExtended strand (participates in β ladder)trans-107.9125.2176-65.5-176.9-5.800109.2T1609 Q1610 T1616 M1621T1609-Q1618 WeakPolarHBondContact CG2-O 3.45Å; Q1610-Q1618 PolarHBondContact N-O 2.69Å; Q1610-Q1618 PolarHBondContact O-N 3.08Å; T1616-Q1618 HydrophobicContact CG2-CG 4.38Å; Q1618-M1621 HydrophobicContact CG-CE 4.39Å
1619S74.3Confident79.6Confident59 Ų5974.6 Ų74.641%0.41338%0.38SS..SBendtrans-127.1126177.5-169.80000108.1T1609 M1621T1609-S1619 WeakPolarHBondContact OG1-CB 3.18Å; T1609-S1619 PolarHBondContact OG1-OG 3.08Å; T1609-S1619 VanDerWaalsContact OG1-OG 3.04Å; S1619-M1621 VanDerWaalsContact C-N 3.29Å; S1619-M1621 PolarHBondContact O-N 2.98Å
1620S68.6Low80.2Confident58 Ų5871.3 Ų71.341%0.40636%0.36SS..SBendtrans60.232.9178.2-57.10000114.8E1624 N1721S1620-E1624 PolarHBondContact N-OE2 3.03Å; S1620-E1624 VanDerWaalsContact N-OE2 3.08Å; S1620-N1721 WeakPolarHBondContact CA-ND2 3.11Å
1621M59.5Low81Confident134 Ų13467.6 Ų67.666%0.6634%0.343SS*.SBendtrans-127.52.5179.1-63.9-152.3-62.400114.7Q1618 S1619Q1618-M1621 HydrophobicContact CG-CE 4.39Å; S1619-M1621 VanDerWaalsContact C-N 3.29Å; S1619-M1621 PolarHBondContact O-N 2.98Å
1622R66.2Low81.5Confident105 Ų10565.8 Ų65.840%0.39633%0.328SS..SBendtrans-124174.8168.8-65.6-169.3-172.8-161.42.7109.8E1612 E1624 N1721 N1722E1612-R1622 IonicContact OE1-CZ 2.64Å; E1612-R1622 IonicContact OE1-NH1 2.7Å; E1612-R1622 IonicContact OE1-NH2 3.76Å; E1612-R1622 PolarHBondContact OE1-NH2 3.11Å; R1622-E1624 HydrophobicContact CB-CG 4.06Å; R1622-E1624 PolarHBondContact O-N 2.98Å; R1622-N1721 PolarHBondContact O-ND2 3.09Å; R1622-N1721 PolarHBondContact O-OD1 2.99Å; R1622-N1721 VanDerWaalsContact O-OD1 3.06Å; R1622-N1722 PolarHBondContact O-ND2 2.97Å; R1622-N1722 PolarHBondContact O-OD1 3.11Å; R1622-N1722 VanDerWaalsContact O-OD1 3.07Å
1623H75.9Confident82Confident128 Ų12862 Ų6259%0.59331%0.311SS*.  trans-71.545.9178.8-58.9-75.8000113.7V1585V1585-H1623 HydrophobicContact CG2-CB 3.98Å; V1585-H1623 WeakPolarHBondContact CG2-O 3.34Å
1624E80.6Confident82.3Confident4 Ų454 Ų542%0.01929%0.293CS..  trans-72.9130.1-176.5-49.4162.193.300109.6G1583 L1606 S1620 R1622 N1721G1583-E1624 CarbonylContact O-C 3.3Å; G1583-E1624 VanDerWaalsContact O-CA 3.24Å; G1583-E1624 WeakPolarHBondContact O-CA 3.44Å; L1606-E1624 HydrophobicContact CD1-CB 3.56Å; L1606-E1624 HydrophobicContact CD1-CG 4.47Å; L1606-E1624 HydrophobicContact CD2-CB 4.18Å; L1606-E1624 VanDerWaalsContact CD2-CD 3.44Å; L1606-E1624 HydrophobicContact CD2-CG 4.44Å; L1606-E1624 WeakPolarHBondContact CD2-OE1 3.39Å; L1606-E1624 VanDerWaalsContact CD2-OE2 3.26Å; L1606-E1624 WeakPolarHBondContact CD2-OE2 3.24Å; L1606-E1624 HydrophobicContact CG-CB 4.5Å; S1620-E1624 PolarHBondContact N-OE2 3.03Å; S1620-E1624 VanDerWaalsContact N-OE2 3.08Å; R1622-E1624 HydrophobicContact CB-CG 4.06Å; R1622-E1624 PolarHBondContact O-N 2.98Å; E1624-N1721 WeakPolarHBondContact CB-ND2 3.37Å; E1624-N1721 PolarHBondContact N-OD1 3.23Å; E1624-N1721 PolarHBondContact O-OD1 2.59Å; E1624-N1721 PolarHBondContact OE2-ND2 3.06Å
1625R85.8Confident82.6Confident72 Ų7254.6 Ų54.627%0.27229%0.288SS..EExtended strand (participates in β ladder)trans-111.3148.1-177.5-56.5-175-174.1-156.310.4110G1582 G1583 L1588 Y1627 E1718G1582-R1625 CarbonylContact C-O 3.19Å; G1582-R1625 WeakPolarHBondContact CA-O 3.19Å; G1583-R1625 PolarHBondContact N-O 2.75Å; G1583-R1625 VanDerWaalsContact N-O 3.1Å; G1583-R1625 PolarHBondContact O-N 2.99Å; L1588-R1625 HydrophobicContact CD2-CB 4.33Å; R1625-Y1627 HydrophobicContact CB-CE2 3.9Å; R1625-Y1627 VanDerWaalsContact CD-OH 3.22Å; R1625-Y1627 WeakPolarHBondContact CD-OH 3.47Å; R1625-E1718 WeakPolarHBondContact CD-OE2 2.83Å; R1625-E1718 IonicContact CZ-OE1 2.65Å; R1625-E1718 IonicContact CZ-OE2 3.72Å; R1625-E1718 IonicContact NE-OE1 3.24Å; R1625-E1718 VanDerWaalsContact NH1-CD 3.28Å; R1625-E1718 IonicContact NH1-OE1 2.71Å; R1625-E1718 PolarHBondContact NH1-OE1 3.31Å; R1625-E1718 IonicContact NH1-OE2 3.5Å; R1625-E1718 PolarHBondContact NH1-OE2 3.3Å
1626S90Very high82.9Confident0 Ų050.1 Ų50.10%026%0.263CS..EExtended strand (participates in β ladder)trans-126.6141.2165.467.10000110.7M1581 S1605 W1628 C1719M1581-S1626 WeakPolarHBondContact O-CA 3.08Å; S1605-S1626 WeakPolarHBondContact O-CB 3.12Å; S1605-S1626 PolarHBondContact O-OG 2.99Å; S1626-W1628 PolarHBondContact OG-NE1 2.7Å; S1626-C1719 PolarHBondContact N-O 2.86Å; S1626-C1719 PolarHBondContact O-N 2.8Å
1627Y91.8Very high83.2Confident8 Ų850.2 Ų50.23%0.03126%0.258CS..EExtended strand (participates in β ladder)trans-117.6131.8-178.4-63.3-86.8000109.2V1580 M1581 L1588 R1625 V1716 I1717 E1718V1580-Y1627 WeakPolarHBondContact CA-O 3.31Å; V1580-Y1627 WeakPolarHBondContact CB-O 3.31Å; V1580-Y1627 PolarHBondContact N-O 2.79Å; M1581-Y1627 HydrophobicContact CB-CD2 3.96Å; M1581-Y1627 HydrophobicContact CB-CG 4.43Å; M1581-Y1627 HydrophobicContact CG-CD2 3.92Å; M1581-Y1627 PolarHBondContact N-O 2.94Å; M1581-Y1627 PolarHBondContact O-N 3.43Å; M1581-Y1627 HydrophobicContact SD-CD2 3.6Å; M1581-Y1627 HydrophobicContact SD-CE2 3.82Å; M1581-Y1627 HydrophobicContact SD-CG 4.44Å; L1588-Y1627 HydrophobicContact CD1-CE2 3.94Å; L1588-Y1627 HydrophobicContact CD2-CD2 4.5Å; L1588-Y1627 HydrophobicContact CD2-CE2 4Å; R1625-Y1627 HydrophobicContact CB-CE2 3.9Å; R1625-Y1627 VanDerWaalsContact CD-OH 3.22Å; R1625-Y1627 WeakPolarHBondContact CD-OH 3.47Å; Y1627-V1716 HydrophobicContact CD1-CG1 4.03Å; Y1627-V1716 HydrophobicContact CG-CG1 4.39Å; Y1627-I1717 WeakPolarHBondContact CA-O 3.04Å; Y1627-E1718 HydrophobicContact CD1-CB 3.91Å; Y1627-E1718 HydrophobicContact CD1-CG 4.11Å; Y1627-E1718 HydrophobicContact CE1-CB 3.59Å; Y1627-E1718 HydrophobicContact CE1-CG 3.51Å; Y1627-E1718 VanDerWaalsContact CE1-OE2 3.28Å; Y1627-E1718 WeakPolarHBondContact CE1-OE2 3.09Å; Y1627-E1718 VanDerWaalsContact CZ-OE2 3.29Å; Y1627-E1718 PolarHBondContact OH-OE2 3.25Å
1628W93.8Very high83.5Confident0 Ų051.3 Ų51.30%026%0.256CS..EExtended strand (participates in β ladder)trans-127.5146.8-174.2-6084.3000109.9S1578 Y1579 L1600 F1603 S1604 P1607 S1626 I1649 V1716 I1717S1578-W1628 CarbonylContact O-C 3.59Å; S1578-W1628 WeakPolarHBondContact O-CA 3.47Å; Y1579-W1628 HydrophobicContact CD2-CD2 4.08Å; Y1579-W1628 AromaticContact CD2-CE2 3.89Å; Y1579-W1628 HydrophobicContact CD2-CE3 4.11Å; Y1579-W1628 AromaticContact CD2-CH2 3.84Å; Y1579-W1628 HydrophobicContact CD2-CH2 3.84Å; Y1579-W1628 AromaticContact CD2-CZ2 3.78Å; Y1579-W1628 HydrophobicContact CD2-CZ2 3.78Å; Y1579-W1628 AromaticContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CD2-CZ3 3.99Å; Y1579-W1628 HydrophobicContact CE2-CZ2 4.3Å; Y1579-W1628 HydrophobicContact CG-CH2 4.31Å; Y1579-W1628 HydrophobicContact CG-CZ3 4.24Å; L1600-W1628 HydrophobicContact CB-CH2 4.32Å; L1600-W1628 HydrophobicContact CB-CZ3 4.36Å; L1600-W1628 HydrophobicContact CD1-CH2 3.8Å; L1600-W1628 HydrophobicContact CD1-CZ3 4.34Å; F1603-W1628 AromaticContact CD2-CD2 3.77Å; F1603-W1628 HydrophobicContact CD2-CD2 3.77Å; F1603-W1628 AromaticContact CD2-CE2 3.59Å; F1603-W1628 AromaticContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CE3 3.97Å; F1603-W1628 HydrophobicContact CD2-CG 4.43Å; F1603-W1628 AromaticContact CD2-CH2 3.88Å; F1603-W1628 HydrophobicContact CD2-CH2 3.88Å; F1603-W1628 AromaticContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ2 3.67Å; F1603-W1628 HydrophobicContact CD2-CZ3 4.04Å; F1603-W1628 AromaticContact CE2-CD1 3.85Å; F1603-W1628 AromaticContact CE2-CD2 3.76Å; F1603-W1628 HydrophobicContact CE2-CD2 3.76Å; F1603-W1628 AromaticContact CE2-CE2 3.55Å; F1603-W1628 HydrophobicContact CE2-CE3 4.4Å; F1603-W1628 AromaticContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CG 3.97Å; F1603-W1628 HydrophobicContact CE2-CZ2 4.04Å; F1603-W1628 AromaticContact CE2-NE1 3.59Å; S1604-W1628 WeakPolarHBondContact O-CZ2 3.32Å; P1607-W1628 HydrophobicContact CB-CZ2 4.36Å; P1607-W1628 HydrophobicContact CG-CH2 4.47Å; P1607-W1628 HydrophobicContact CG-CZ2 4.02Å; S1626-W1628 PolarHBondContact OG-NE1 2.7Å; W1628-I1649 HydrophobicContact CB-CD1 3.93Å; W1628-I1649 HydrophobicContact CB-CG2 4.14Å; W1628-I1649 HydrophobicContact CD2-CG2 4.39Å; W1628-I1649 HydrophobicContact CE3-CG2 4.07Å; W1628-I1649 HydrophobicContact CG-CD1 4.24Å; W1628-I1649 HydrophobicContact CG-CG2 4.44Å; W1628-V1716 CarbonylContact O-C 3.41Å; W1628-V1716 WeakPolarHBondContact O-CA 3.33Å; W1628-I1717 HydrophobicContact CB-CG2 4.04Å; W1628-I1717 PolarHBondContact N-O 3.07Å; W1628-I1717 PolarHBondContact O-N 3.12Å
1629L93.8Very high84.3Confident2 Ų252.2 Ų52.21%0.0127%0.267CS..EExtended strand (participates in β ladder)trans-71.8134.2176.5-15981.5000108.2H1555 Q1557 S1578 V1580 L1593 A1650 M1708 P1715H1555-L1629 HydrophobicContact CB-CD2 3.73Å; Q1557-L1629 HydrophobicContact CG-CD2 4.2Å; S1578-L1629 VanDerWaalsContact CB-CB 3.42Å; S1578-L1629 PolarHBondContact O-N 2.82Å; V1580-L1629 HydrophobicContact CG2-CB 3.97Å; V1580-L1629 HydrophobicContact CG2-CD1 4.3Å; V1580-L1629 VanDerWaalsContact CG2-N 3.28Å; L1593-L1629 HydrophobicContact CD1-CD1 4.07Å; L1629-A1650 HydrophobicContact CB-CB 4.13Å; L1629-A1650 HydrophobicContact CD2-CB 4.3Å; L1629-A1650 HydrophobicContact CG-CB 4.48Å; L1629-A1650 WeakPolarHBondContact O-CB 3.47Å; L1629-A1650 PolarHBondContact O-N 2.86Å; L1629-M1708 HydrophobicContact CD1-CE 3.83Å; L1629-M1708 HydrophobicContact CD1-SD 4.04Å; L1629-M1708 HydrophobicContact CD2-CE 3.95Å; L1629-M1708 HydrophobicContact CD2-SD 3.85Å; L1629-M1708 HydrophobicContact CG-CE 4.18Å; L1629-P1715 CarbonylContact C-O 3.33Å; L1629-P1715 WeakPolarHBondContact CA-O 3.34Å; L1629-P1715 HydrophobicContact CD1-CB 4.39Å; L1629-P1715 WeakPolarHBondContact CD1-O 3.46Å
1630A92.8Very high85.2Confident0 Ų050.1 Ų50.10%025%0.251CS..BIsolated β-bridgetrans-87.4147.7-176.300000112.7Q1557 Q1648 P1715 Y1728Q1557-A1630 PolarHBondContact NE2-O 3.38Å; A1630-Q1648 CarbonylContact C-O 3.57Å; A1630-Q1648 WeakPolarHBondContact CA-O 3.28Å; A1630-P1715 PolarHBondContact N-O 3.42Å; A1630-Y1728 HydrophobicContact CB-CE1 3.63Å
1631T93.5Very high86.3Confident0 Ų049 Ų490%024%0.242CC..  trans-70.2178.9172.364.20000112.1Q1557 T1558 P1559 V1633 D1647 Q1648 A1650 R1712Q1557-T1631 CarbonylContact O-C 3.59Å; Q1557-T1631 WeakPolarHBondContact O-CA 3.45Å; T1558-T1631 VanDerWaalsContact C-CG2 3.47Å; P1559-T1631 HydrophobicContact CB-CG2 4.17Å; P1559-T1631 HydrophobicContact CG-CG2 4.41Å; T1631-V1633 VanDerWaalsContact C-N 3.31Å; T1631-V1633 WeakPolarHBondContact OG1-CB 3.4Å; T1631-V1633 WeakPolarHBondContact OG1-CG2 3.31Å; T1631-V1633 PolarHBondContact OG1-N 2.77Å; T1631-D1647 WeakPolarHBondContact CB-O 3.22Å; T1631-D1647 VanDerWaalsContact CG2-O 3.22Å; T1631-D1647 WeakPolarHBondContact CG2-O 3.49Å; T1631-D1647 PolarHBondContact OG1-O 3.21Å; T1631-Q1648 WeakPolarHBondContact CG2-O 3.22Å; T1631-Q1648 PolarHBondContact N-O 3.33Å; T1631-A1650 HydrophobicContact CG2-CB 4.32Å; T1631-R1712 VanDerWaalsContact O-CZ 3.27Å; T1631-R1712 PolarHBondContact O-NE 2.74Å; T1631-R1712 PolarHBondContact O-NH2 3.49Å
1632L89.7Confident87.7Confident32 Ų3244.2 Ų44.217%0.16822%0.22CC..SBendtrans-80.5-5.5171.6-69-178.3000114.2V732 Q1557 H1710 R1712V732-L1632 HydrophobicContact CB-CD1 4.4Å; V732-L1632 HydrophobicContact CG1-CD1 3.93Å; V732-L1632 HydrophobicContact CG2-CD1 3.67Å; Q1557-L1632 HydrophobicContact CB-CD2 4.19Å; Q1557-L1632 HydrophobicContact CB-CG 3.89Å; Q1557-L1632 WeakPolarHBondContact O-CG 3.31Å; Q1557-L1632 PolarHBondContact O-N 3.17Å; L1632-H1710 HydrophobicContact CD2-CB 4.18Å; L1632-R1712 HydrophobicContact CD2-CG 4.3Å; L1632-R1712 PolarHBondContact O-NH1 3.4Å
1633V89.4Confident88.6Confident20 Ų2045 Ų4512%0.12123%0.232CC..SBendtrans-57.3148.2176.2-1770000109.9W728 T1631 R1635 D1647 R1712W728-V1633 HydrophobicContact CZ2-CG2 4.48Å; T1631-V1633 VanDerWaalsContact C-N 3.31Å; T1631-V1633 WeakPolarHBondContact OG1-CB 3.4Å; T1631-V1633 WeakPolarHBondContact OG1-CG2 3.31Å; T1631-V1633 PolarHBondContact OG1-N 2.77Å; V1633-R1635 PolarHBondContact O-N 2.96Å; V1633-D1647 WeakPolarHBondContact CG2-O 3.48Å; V1633-R1712 PolarHBondContact O-NH2 3.28Å
1634P86.6Confident89.3Confident92 Ų9244.5 Ų44.560%0.59723%0.23SC*.PPolyproline II helixtrans-54.7134169.2-26.835.8000110.9
1635R87Confident89.8Confident106 Ų10644.3 Ų44.340%0.423%0.229SC..PPolyproline II helixtrans-58.2149.4175.167.8174.6-167.6-177.14.4110.7V1633 E1637 Y1728V1633-R1635 PolarHBondContact O-N 2.96Å; R1635-E1637 IonicContact CZ-OE1 3.44Å; R1635-E1637 IonicContact NE-OE1 3.12Å; R1635-E1637 PolarHBondContact NE-OE1 3.4Å; R1635-E1637 IonicContact NH2-OE1 3.48Å; R1635-E1637 PolarHBondContact NH2-OE1 2.8Å; R1635-Y1728 HydrophobicContact CB-CD1 4.44Å; R1635-Y1728 HydrophobicContact CB-CD2 3.58Å; R1635-Y1728 HydrophobicContact CB-CE1 4.46Å; R1635-Y1728 HydrophobicContact CB-CE2 3.63Å; R1635-Y1728 HydrophobicContact CB-CG 3.99Å
1636S86.8Confident90Very high39 Ų3944 Ų4427%0.27324%0.242SC..PPolyproline II helixtrans-68.9151.7156.7-172.80000110.1Q1638 I1640S1636-Q1638 WeakPolarHBondContact CB-O 3.49Å; S1636-Q1638 PolarHBondContact OG-N 3.37Å; S1636-Q1638 PolarHBondContact OG-O 3.18Å; S1636-I1640 VanDerWaalsContact CB-CD1 3.47Å
1637E86.8Confident90.1Very high68 Ų6847.3 Ų47.332%0.31826%0.259SS..SBendtrans-105.16.7167.8-50.6-153.8130.300112.2T234 N235 R1635T234-E1637 WeakPolarHBondContact CB-OE2 3.26Å; T234-E1637 PolarHBondContact OG1-OE2 3.07Å; T234-E1637 VanDerWaalsContact OG1-OE2 3.14Å; N235-E1637 PolarHBondContact ND2-OE2 3.2Å; R1635-E1637 IonicContact CZ-OE1 3.44Å; R1635-E1637 IonicContact NE-OE1 3.12Å; R1635-E1637 PolarHBondContact NE-OE1 3.4Å; R1635-E1637 IonicContact NH2-OE1 3.48Å; R1635-E1637 PolarHBondContact NH2-OE1 2.8Å
1638Q88.1Confident90.2Very high99 Ų9947.3 Ų47.346%0.46326%0.26SS..SBendtrans-123.3156.9172.1-68.6-173-33.900110.4Y233 S1636 I1640Y233-Q1638 VanDerWaalsContact CE2-NE2 3.31Å; Y233-Q1638 PolarHBondContact OH-NE2 3.31Å; S1636-Q1638 WeakPolarHBondContact CB-O 3.49Å; S1636-Q1638 PolarHBondContact OG-N 3.37Å; S1636-Q1638 PolarHBondContact OG-O 3.18Å; Q1638-I1640 PolarHBondContact O-N 3.31Å
1639P89.5Confident90.2Very high71 Ų7147.3 Ų47.346%0.46126%0.26SS..  trans-54.7137.4169.1-14.522.5000111M1725 H1727P1639-M1725 HydrophobicContact CB-CB 4.3Å; P1639-M1725 HydrophobicContact CB-CG 4.23Å; P1639-M1725 HydrophobicContact CB-SD 3.8Å; P1639-H1727 VanDerWaalsContact CA-CD2 3.44Å; P1639-H1727 WeakPolarHBondContact CA-CD2 3.3Å; P1639-H1727 VanDerWaalsContact N-CD2 3.31Å
1640I92.9Very high90.3Very high15 Ų1547.2 Ų47.28%0.07726%0.259CS..EExtended strand (participates in β ladder)trans-107.7120.8-176.2-46.6176.2000108.7S1636 Q1638 V1642 Q1644 T1645 Q1648 I1717 M1725 C1726S1636-I1640 VanDerWaalsContact CB-CD1 3.47Å; Q1638-I1640 PolarHBondContact O-N 3.31Å; I1640-V1642 PolarHBondContact O-N 3.04Å; I1640-Q1644 HydrophobicContact CG2-CB 4.06Å; I1640-T1645 HydrophobicContact CB-CG2 4Å; I1640-T1645 HydrophobicContact CG2-CG2 3.77Å; I1640-Q1648 HydrophobicContact CD1-CG 3.6Å; I1640-I1717 HydrophobicContact CD1-CD1 4.26Å; I1640-M1725 VanDerWaalsContact C-SD 3.53Å; I1640-M1725 CarbonylContact O-C 3.07Å; I1640-M1725 WeakPolarHBondContact O-CA 3.41Å; I1640-C1726 PolarHBondContact N-O 3.24Å; I1640-C1726 PolarHBondContact O-N 3.13Å
1641P91.4Very high90.5Very high35 Ų3548.1 Ų48.123%0.22726%0.263CS..EExtended strand (participates in β ladder)trans-54136.6170.9-28.537.3000111.6D1643 Q1644 T1645 M1725P1641-D1643 WeakPolarHBondContact CB-OD1 3.4Å; P1641-D1643 PolarHBondContact O-N 2.71Å; P1641-D1643 VanDerWaalsContact O-N 3.14Å; P1641-Q1644 WeakPolarHBondContact O-CA 3.37Å; P1641-Q1644 WeakPolarHBondContact O-CB 3.46Å; P1641-Q1644 PolarHBondContact O-N 2.91Å; P1641-T1645 PolarHBondContact O-N 3.02Å; P1641-M1725 HydrophobicContact CB-SD 4.43Å; P1641-M1725 HydrophobicContact CG-CE 4.04Å; P1641-M1725 HydrophobicContact CG-SD 3.99Å; P1641-M1725 VanDerWaalsContact N-SD 3.43Å
1642V88.6Confident90.6Very high33 Ų3348.1 Ų48.120%0.226%0.263CS..G310 helixtrans-57.1-32.9-170.81610000113.3F1603 I1640 Q1644 T1645 G1724F1603-V1642 HydrophobicContact CE1-CG1 3.98Å; I1640-V1642 PolarHBondContact O-N 3.04Å; V1642-Q1644 VanDerWaalsContact C-N 3.28Å; V1642-Q1644 PolarHBondContact O-N 2.84Å; V1642-T1645 PolarHBondContact O-N 3.26Å; V1642-T1645 PolarHBondContact O-OG1 2.81Å; V1642-G1724 WeakPolarHBondContact CG2-O 3.31Å; V1642-G1724 PolarHBondContact N-O 3.14Å
1643D86.3Confident91Very high120 Ų12046.6 Ų46.664%0.64226%0.255SS*.G310 helixtrans-61.9-30.7172.660.8-59.1000113.6P1641P1641-D1643 WeakPolarHBondContact CB-OD1 3.4Å; P1641-D1643 PolarHBondContact O-N 2.71Å; P1641-D1643 VanDerWaalsContact O-N 3.14Å
1644Q90.4Very high91.4Very high118 Ų11845.7 Ų45.755%0.55125%0.249SC*.G310 helixtrans-93.4-7.5-177.3-76.1157.164.500113.7I1640 P1641 V1642 A1646I1640-Q1644 HydrophobicContact CG2-CB 4.06Å; P1641-Q1644 WeakPolarHBondContact O-CA 3.37Å; P1641-Q1644 WeakPolarHBondContact O-CB 3.46Å; P1641-Q1644 PolarHBondContact O-N 2.91Å; V1642-Q1644 VanDerWaalsContact C-N 3.28Å; V1642-Q1644 PolarHBondContact O-N 2.84Å; Q1644-A1646 PolarHBondContact O-N 3.26Å; Q1644-A1646 VanDerWaalsContact O-N 3.12Å
1645T91.8Very high91.9Very high1 Ų141.3 Ų41.31%0.00622%0.221CC..G310 helixtrans-71.1-3.6-177.761.10000115.3F1603 I1640 P1641 V1642 D1647 Q1648 I1649 C1726F1603-T1645 VanDerWaalsContact CE1-OG1 3.27Å; F1603-T1645 WeakPolarHBondContact CE1-OG1 3.4Å; F1603-T1645 WeakPolarHBondContact CZ-OG1 3.43Å; I1640-T1645 HydrophobicContact CB-CG2 4Å; I1640-T1645 HydrophobicContact CG2-CG2 3.77Å; P1641-T1645 PolarHBondContact O-N 3.02Å; V1642-T1645 PolarHBondContact O-N 3.26Å; V1642-T1645 PolarHBondContact O-OG1 2.81Å; T1645-D1647 PolarHBondContact O-N 2.85Å; T1645-Q1648 WeakPolarHBondContact O-CA 3.3Å; T1645-Q1648 WeakPolarHBondContact O-CB 3.18Å; T1645-Q1648 PolarHBondContact O-N 3.25Å; T1645-I1649 PolarHBondContact O-N 3.22Å; T1645-I1649 VanDerWaalsContact O-N 3.17Å; T1645-C1726 HydrophobicContact CG2-CB 3.76Å
1646A89.1Confident92.3Very high64 Ų6438.4 Ų38.453%0.52921%0.212SC..G310 helixtrans-59.4-22.7-170.500000115.1P1559 Q1644P1559-A1646 WeakPolarHBondContact CB-O 3.36Å; Q1644-A1646 PolarHBondContact O-N 3.26Å; Q1644-A1646 VanDerWaalsContact O-N 3.12Å
1647D92.5Very high92.6Very high70 Ų7036.6 Ų36.637%0.37420%0.199SC..G310 helixtrans-88.5-17.217478.8-31.2000113.7T1631 V1633 T1645T1631-D1647 WeakPolarHBondContact CB-O 3.22Å; T1631-D1647 VanDerWaalsContact CG2-O 3.22Å; T1631-D1647 WeakPolarHBondContact CG2-O 3.49Å; T1631-D1647 PolarHBondContact OG1-O 3.21Å; V1633-D1647 WeakPolarHBondContact CG2-O 3.48Å; T1645-D1647 PolarHBondContact O-N 2.85Å
1648Q92.9Very high92.9Very high8 Ų836.4 Ų36.44%0.03720%0.204CC..THydrogen-bonded Turntrans-90.9-30.5180-55.4-58.2-58.900113.4A1630 T1631 I1640 T1645 A1650 I1717 Y1728A1630-Q1648 CarbonylContact C-O 3.57Å; A1630-Q1648 WeakPolarHBondContact CA-O 3.28Å; T1631-Q1648 WeakPolarHBondContact CG2-O 3.22Å; T1631-Q1648 PolarHBondContact N-O 3.33Å; I1640-Q1648 HydrophobicContact CD1-CG 3.6Å; T1645-Q1648 WeakPolarHBondContact O-CA 3.3Å; T1645-Q1648 WeakPolarHBondContact O-CB 3.18Å; T1645-Q1648 PolarHBondContact O-N 3.25Å; Q1648-A1650 PolarHBondContact O-N 3Å; Q1648-I1717 HydrophobicContact CB-CD1 4.18Å; Q1648-Y1728 VanDerWaalsContact OE1-CE2 3.31Å; Q1648-Y1728 PolarHBondContact OE1-OH 2.73Å
1649I94.8Very high93Very high0 Ų032.4 Ų32.40%019%0.188CC..BIsolated β-bridgetrans-81.9118-177.4-49-56.8000111.2Y1577 F1603 W1628 T1645 I1717Y1577-I1649 HydrophobicContact CD1-CB 4.17Å; Y1577-I1649 HydrophobicContact CD1-CG2 3.71Å; Y1577-I1649 HydrophobicContact CG-CG2 4.31Å; F1603-I1649 HydrophobicContact CD2-CG1 4.13Å; F1603-I1649 HydrophobicContact CD2-CG2 4.19Å; F1603-I1649 HydrophobicContact CE1-CG1 4.42Å; F1603-I1649 HydrophobicContact CE2-CD1 3.72Å; F1603-I1649 HydrophobicContact CE2-CG1 3.69Å; F1603-I1649 HydrophobicContact CE2-CG2 4.38Å; F1603-I1649 HydrophobicContact CZ-CD1 3.94Å; F1603-I1649 HydrophobicContact CZ-CG1 3.86Å; W1628-I1649 HydrophobicContact CB-CD1 3.93Å; W1628-I1649 HydrophobicContact CB-CG2 4.14Å; W1628-I1649 HydrophobicContact CD2-CG2 4.39Å; W1628-I1649 HydrophobicContact CE3-CG2 4.07Å; W1628-I1649 HydrophobicContact CG-CD1 4.24Å; W1628-I1649 HydrophobicContact CG-CG2 4.44Å; T1645-I1649 PolarHBondContact O-N 3.22Å; T1645-I1649 VanDerWaalsContact O-N 3.17Å; I1649-I1717 HydrophobicContact CD1-CG2 3.7Å
1650A95.5Very high93.1Very high0 Ų034 Ų340%019%0.189CC..PPolyproline II helixtrans-66.9142.3-179.600000112.8Y1556 S1578 L1629 T1631 Q1648Y1556-A1650 WeakPolarHBondContact O-CB 3.46Å; S1578-A1650 WeakPolarHBondContact CB-O 3.38Å; S1578-A1650 PolarHBondContact N-O 2.83Å; S1578-A1650 VanDerWaalsContact OG-C 3.28Å; S1578-A1650 PolarHBondContact OG-O 3.21Å; L1629-A1650 HydrophobicContact CB-CB 4.13Å; L1629-A1650 HydrophobicContact CD2-CB 4.3Å; L1629-A1650 HydrophobicContact CG-CB 4.48Å; L1629-A1650 WeakPolarHBondContact O-CB 3.47Å; L1629-A1650 PolarHBondContact O-N 2.86Å; T1631-A1650 HydrophobicContact CG2-CB 4.32Å; Q1648-A1650 PolarHBondContact O-N 3Å
1651R96.6Very high93.2Very high20 Ų2033.8 Ų33.88%0.07519%0.188CC..EExtended strand (participates in β ladder)trans-88.3153.4177.4-60.2-62.7-65.8168.3-5.9112.1Y1556 T1558 P1559 L1564 G1576 S1578Y1556-R1651 PolarHBondContact N-O 2.87Å; Y1556-R1651 PolarHBondContact O-N 2.91Å; T1558-R1651 WeakPolarHBondContact O-CB 3.22Å; T1558-R1651 VanDerWaalsContact O-CG 3.26Å; T1558-R1651 WeakPolarHBondContact O-CG 3.41Å; T1558-R1651 PolarHBondContact O-N 3.21Å; P1559-R1651 WeakPolarHBondContact O-CG 3.27Å; L1564-R1651 HydrophobicContact CD1-CB 3.77Å; L1564-R1651 HydrophobicContact CD2-CB 3.65Å; L1564-R1651 HydrophobicContact CG-CB 4.39Å; G1576-R1651 VanDerWaalsContact C-NH1 3.31Å; G1576-R1651 WeakPolarHBondContact O-CA 3.31Å; G1576-R1651 PolarHBondContact O-NE 3.45Å; G1576-R1651 PolarHBondContact O-NH1 3.3Å; S1578-R1651 PolarHBondContact OG-O 3.46Å
1652C96.9Very high93.4Very high0 Ų035.8 Ų35.80%019%0.193CC..EExtended strand (participates in β ladder)trans-135.3159.3177.459.30000111.6R1554 L1564 T1575 G1576 Y1577 C1599R1554-C1652 VanDerWaalsContact O-CA 3.31Å; R1554-C1652 WeakPolarHBondContact O-CA 3.36Å; L1564-C1652 VanDerWaalsContact CD2-O 3.31Å; L1564-C1652 WeakPolarHBondContact CD2-O 3.33Å; T1575-C1652 CarbonylContact C-O 2.99Å; T1575-C1652 WeakPolarHBondContact CA-O 3.29Å; T1575-C1652 WeakPolarHBondContact CB-O 3.26Å; G1576-C1652 PolarHBondContact N-O 2.64Å; G1576-C1652 PolarHBondContact O-N 3.14Å; G1576-C1652 PolarHBondContact O-SG 2.89Å; G1576-C1652 VanDerWaalsContact O-SG 3.35Å; Y1577-C1652 VanDerWaalsContact C-SG 3.51Å; Y1577-C1652 PolarHBondContact O-SG 2.83Å; Y1577-C1652 VanDerWaalsContact O-SG 3.33Å; C1599-C1652 WeakPolarHBondContact CA-SG 3.22Å; C1599-C1652 HydrophobicContact CB-CB 3.89Å; C1599-C1652 WeakPolarHBondContact CB-SG 3.08Å; C1599-C1652 WeakPolarHBondContact SG-CB 3.11Å; C1599-C1652 CovalentContact SG-SG 2.03Å; C1599-C1652 PolarHBondContact SG-SG 3.5Å
1653V97.3Very high93.8Very high0 Ų034.5 Ų34.50%019%0.187CC..EExtended strand (participates in β ladder)trans-130.7134.6173.862.30000109.3A1553 R1554 Y1556 L1564 K1572 F1574 T1575A1553-V1653 WeakPolarHBondContact CA-O 3.5Å; R1554-V1653 HydrophobicContact CB-CG1 4.09Å; R1554-V1653 PolarHBondContact N-O 3.27Å; R1554-V1653 PolarHBondContact O-N 3.13Å; Y1556-V1653 HydrophobicContact CD2-CG1 4.38Å; Y1556-V1653 HydrophobicContact CE2-CG1 3.84Å; L1564-V1653 HydrophobicContact CB-CB 4.35Å; L1564-V1653 HydrophobicContact CD2-CB 4.14Å; K1572-V1653 HydrophobicContact CD-CG2 4.09Å; K1572-V1653 HydrophobicContact CG-CG2 3.78Å; F1574-V1653 WeakPolarHBondContact O-CA 3.48Å; F1574-V1653 WeakPolarHBondContact O-CG2 3.45Å; T1575-V1653 HydrophobicContact CG2-CB 4.2Å; T1575-V1653 HydrophobicContact CG2-CG2 4.14Å
1654V97.4Very high94.3Very high0 Ų032.7 Ų32.70%017%0.173CC..EExtended strand (participates in β ladder)trans-95.6128.8171.3179.40000108.9F1552 A1553 L1573 F1574 P1596 C1599F1552-V1654 WeakPolarHBondContact O-CA 3.31Å; A1553-V1654 HydrophobicContact CB-CG2 4.46Å; L1573-V1654 HydrophobicContact CD1-CG1 4.09Å; L1573-V1654 PolarHBondContact N-O 3.03Å; F1574-V1654 HydrophobicContact CD1-CB 4.13Å; F1574-V1654 HydrophobicContact CD1-CG2 4.49Å; F1574-V1654 HydrophobicContact CD2-CG2 4.42Å; F1574-V1654 HydrophobicContact CE1-CB 3.77Å; F1574-V1654 HydrophobicContact CE1-CG1 4.09Å; F1574-V1654 HydrophobicContact CE1-CG2 3.81Å; F1574-V1654 HydrophobicContact CE2-CB 4.34Å; F1574-V1654 HydrophobicContact CE2-CG2 3.73Å; F1574-V1654 HydrophobicContact CZ-CB 3.89Å; F1574-V1654 HydrophobicContact CZ-CG1 4.46Å; F1574-V1654 HydrophobicContact CZ-CG2 3.39Å; F1574-V1654 PolarHBondContact O-N 3.19Å; P1596-V1654 HydrophobicContact CB-CG1 3.95Å; P1596-V1654 HydrophobicContact CB-CG2 4.18Å; P1596-V1654 HydrophobicContact CG-CG1 3.99Å; C1599-V1654 HydrophobicContact CB-CG2 3.58Å
1655C96.3Very high94.6Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-121.7138.6-173-58.30000111L1551 F1552 C1566 N1571L1551-C1655 WeakPolarHBondContact CA-O 3.09Å; F1552-C1655 HydrophobicContact CD1-CB 4.11Å; F1552-C1655 WeakPolarHBondContact CD1-O 3.49Å; F1552-C1655 HydrophobicContact CE1-CB 3.45Å; F1552-C1655 VanDerWaalsContact CE1-CB 3.45Å; F1552-C1655 HydrophobicContact CE2-CB 4.04Å; F1552-C1655 HydrophobicContact CZ-CB 3.43Å; F1552-C1655 VanDerWaalsContact CZ-CB 3.43Å; F1552-C1655 PolarHBondContact N-O 3.3Å; F1552-C1655 VanDerWaalsContact N-O 3.1Å; F1552-C1655 PolarHBondContact O-N 2.96Å; C1566-C1655 VanDerWaalsContact CA-SG 3.51Å; C1566-C1655 HydrophobicContact CB-CB 3.91Å; C1566-C1655 WeakPolarHBondContact CB-SG 3.48Å; C1566-C1655 VanDerWaalsContact SG-CA 3.57Å; C1566-C1655 WeakPolarHBondContact SG-CB 3.01Å; C1566-C1655 CovalentContact SG-SG 2.04Å; C1566-C1655 PolarHBondContact SG-SG 3.4Å; N1571-C1655 CarbonylContact O-C 3.44Å; N1571-C1655 VanDerWaalsContact O-CA 3.25Å; N1571-C1655 WeakPolarHBondContact O-CA 3.46Å
1656E95.8Very high94.7Very high45 Ų4530.7 Ų30.721%0.2117%0.167CC..EExtended strand (participates in β ladder)trans-91.3115.9170.9-174.4-169.7-147.500109.7S1549 L1551 T1570 N1571 L1573S1549-E1656 VanDerWaalsContact CB-CG 3.5Å; S1549-E1656 WeakPolarHBondContact CB-OE1 3.4Å; S1549-E1656 PolarHBondContact OG-OE1 3.48Å; L1551-E1656 HydrophobicContact CD2-CB 3.96Å; L1551-E1656 HydrophobicContact CD2-CG 3.97Å; T1570-E1656 CarbonylContact C-O 3.59Å; T1570-E1656 WeakPolarHBondContact CA-O 3.22Å; T1570-E1656 VanDerWaalsContact CB-O 3.3Å; T1570-E1656 WeakPolarHBondContact CB-O 3.44Å; N1571-E1656 HydrophobicContact CB-CB 4.24Å; N1571-E1656 PolarHBondContact N-O 3.42Å; N1571-E1656 PolarHBondContact ND2-OE2 2.84Å; N1571-E1656 PolarHBondContact O-N 2.77Å; L1573-E1656 HydrophobicContact CD1-CB 4.08Å; L1573-E1656 HydrophobicContact CG-CB 4.36Å
1657A93.9Very high94.8Very high1 Ų132.5 Ų32.51%0.00817%0.165CC..EExtended strand (participates in β ladder)trans-99.3141.7175.100000111.8S1549 I1550 F1552 T1570 A1659 V1661 M1773S1549-A1657 CarbonylContact C-O 3.6Å; S1549-A1657 VanDerWaalsContact CA-O 3.24Å; S1549-A1657 WeakPolarHBondContact CA-O 3.14Å; I1550-A1657 PolarHBondContact N-O 2.86Å; I1550-A1657 PolarHBondContact O-N 3.1Å; F1552-A1657 HydrophobicContact CD1-CB 4.1Å; F1552-A1657 HydrophobicContact CE1-CB 3.92Å; T1570-A1657 HydrophobicContact CG2-CB 3.94Å; A1657-A1659 VanDerWaalsContact CB-O 3.31Å; A1657-A1659 WeakPolarHBondContact CB-O 3.46Å; A1657-A1659 PolarHBondContact O-N 3.35Å; A1657-V1661 HydrophobicContact CB-CG2 3.72Å; A1657-M1773 HydrophobicContact CB-SD 3.76Å
1658P91.8Very high94.5Very high65 Ų6529.6 Ų29.642%0.42215%0.152SC..SBendtrans-74.92.3174.232.6-38.6000114.4G1569 M1773 P1776G1569-P1658 WeakPolarHBondContact O-CD 3.18Å; P1658-M1773 HydrophobicContact CG-CE 4.38Å; P1658-M1773 HydrophobicContact CG-SD 4.2Å; P1658-P1776 HydrophobicContact CB-CG 4Å; P1658-P1776 HydrophobicContact CG-CG 3.97Å
1659A91.8Very high93.9Very high15 Ų1534.7 Ų34.712%0.12418%0.175CC..SBendtrans-162.7171.6-179.500000110.7A1657 M1773 K1774 P1776A1657-A1659 VanDerWaalsContact CB-O 3.31Å; A1657-A1659 WeakPolarHBondContact CB-O 3.46Å; A1657-A1659 PolarHBondContact O-N 3.35Å; A1659-M1773 HydrophobicContact CB-CG 4.35Å; A1659-K1774 HydrophobicContact CB-CB 4.21Å; A1659-K1774 WeakPolarHBondContact CB-O 3.49Å; A1659-P1776 HydrophobicContact CB-CG 4.38Å
1660H91.3Very high93.4Very high103 Ų10339.8 Ų39.848%0.47721%0.207SC..  trans-61.5143.1176.1-67.1-90.8000113.1F1662 M1773 K1774H1660-F1662 HydrophobicContact CB-CD2 4Å; H1660-F1662 HydrophobicContact CB-CE2 3.57Å; H1660-M1773 WeakPolarHBondContact O-CA 3.15Å; H1660-K1774 PolarHBondContact O-N 2.64Å
1661V95.1Very high93.1Very high12 Ų1241.9 Ų41.97%0.07322%0.218CC..EExtended strand (participates in β ladder)trans-118.4132.1176.8-171.60000107.8F1552 A1657 L1681 P1704 V1771 C1772 M1773F1552-V1661 HydrophobicContact CD1-CG2 3.92Å; F1552-V1661 HydrophobicContact CE1-CG2 4.1Å; F1552-V1661 HydrophobicContact CG-CG2 4.46Å; A1657-V1661 HydrophobicContact CB-CG2 3.72Å; V1661-L1681 HydrophobicContact CG1-CD1 3.52Å; V1661-L1681 HydrophobicContact CG1-CG 4.49Å; V1661-L1681 HydrophobicContact CG2-CD1 4.11Å; V1661-P1704 HydrophobicContact CB-CG 4.27Å; V1661-P1704 HydrophobicContact CG1-CG 3.85Å; V1661-V1771 HydrophobicContact CG1-CG1 3.31Å; V1661-C1772 WeakPolarHBondContact CA-O 3.42Å; V1661-M1773 HydrophobicContact CG2-CB 4.11Å; V1661-M1773 HydrophobicContact CG2-CG 4.05Å; V1661-M1773 HydrophobicContact CG2-SD 4.39Å
1662F95.8Very high92.6Very high76 Ų7647.1 Ų47.133%0.33324%0.243SC..EExtended strand (participates in β ladder)trans-140.2147.8-177.8-76-85.2000111.4H1660 F1664 W1678 S1702 V1771 C1772H1660-F1662 HydrophobicContact CB-CD2 4Å; H1660-F1662 HydrophobicContact CB-CE2 3.57Å; F1662-F1664 HydrophobicContact CB-CE2 4.04Å; F1662-W1678 HydrophobicContact CB-CZ3 4.34Å; F1662-W1678 AromaticContact CD2-CH2 3.57Å; F1662-W1678 HydrophobicContact CD2-CH2 3.57Å; F1662-W1678 AromaticContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CE2-CH2 4.12Å; F1662-S1702 CarbonylContact C-O 3.49Å; F1662-S1702 VanDerWaalsContact CA-O 3.32Å; F1662-S1702 WeakPolarHBondContact CA-O 3.01Å; F1662-S1702 VanDerWaalsContact CD1-O 3.32Å; F1662-S1702 WeakPolarHBondContact CD1-O 3.38Å; F1662-V1771 WeakPolarHBondContact O-CA 3.39Å; F1662-C1772 PolarHBondContact N-O 2.76Å; F1662-C1772 PolarHBondContact O-N 3.12Å
1663A97Very high92.4Very high7 Ų751.4 Ų51.46%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-82.6144.3166.800000111.6S1702 S1703 S1706 C1707 V1771A1663-S1702 PolarHBondContact N-O 3.27Å; A1663-S1703 WeakPolarHBondContact CB-O 3.48Å; A1663-S1706 WeakPolarHBondContact CB-OG 3.45Å; A1663-C1707 HydrophobicContact CB-CB 4.12Å; A1663-V1771 HydrophobicContact CB-CG2 4.32Å
1664F96.3Very high92.3Very high82 Ų8252.1 Ų52.136%0.3628%0.276SS..EExtended strand (participates in β ladder)trans-126.4122.7172.1-69.4-95.1000108.7F1662 P1675 W1678 C1769 R1770 C1772F1662-F1664 HydrophobicContact CB-CE2 4.04Å; F1664-P1675 HydrophobicContact CE1-CG 4.02Å; F1664-P1675 HydrophobicContact CZ-CG 3.98Å; F1664-W1678 HydrophobicContact CE2-CE3 4.44Å; F1664-C1769 CarbonylContact O-C 3.48Å; F1664-C1769 WeakPolarHBondContact O-CA 3.44Å; F1664-R1770 PolarHBondContact N-O 2.86Å; F1664-R1770 PolarHBondContact O-N 2.93Å; F1664-C1772 HydrophobicContact CD2-CB 3.96Å; F1664-C1772 HydrophobicContact CE2-CB 3.85Å
1665H95.8Very high92.1Very high44 Ų4454.6 Ų54.620%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-100.6139.1-178.6-60.6-78.4000111.1S1686 L1701 S1706 L1737 C1769H1665-S1686 WeakPolarHBondContact ND1-CB 3.37Å; H1665-S1686 PolarHBondContact ND1-OG 2.98Å; H1665-L1701 PolarHBondContact CD2-O 2.99Å; H1665-L1701 PolarHBondContact NE2-O 3.23Å; H1665-S1706 PolarHBondContact CE1-O 3.07Å; H1665-S1706 PolarHBondContact CE1-OG 3.08Å; H1665-S1706 PolarHBondContact NE2-OG 3.22Å; H1665-L1737 HydrophobicContact CB-CD1 3.91Å; H1665-C1769 WeakPolarHBondContact ND1-CB 3.47Å
1666S93.7Very high91.6Very high32 Ų3262.8 Ų62.822%0.22434%0.336CS..  trans-83.1-25.2-179.5580000114.1G1668 T1670 K1768S1666-G1668 PolarHBondContact O-N 3.05Å; S1666-G1668 VanDerWaalsContact O-N 3.16Å; S1666-G1668 PolarHBondContact OG-N 3.37Å; S1666-G1668 PolarHBondContact OG-O 2.85Å; S1666-T1670 WeakPolarHBondContact CB-O 2.96Å; S1666-K1768 PolarHBondContact N-O 2.86Å; S1666-K1768 PolarHBondContact OG-N 3.34Å; S1666-K1768 PolarHBondContact OG-O 3.22Å; S1666-K1768 VanDerWaalsContact OG-O 3.06Å
1667Q91.9Very high91.4Very high102 Ų10265 Ų6548%0.47735%0.352SS..SBendtrans47.933.1-163.1-63.3-172.7-96.800112.9L1737 L1740 S1767Q1667-L1737 HydrophobicContact CG-CD1 4.43Å; Q1667-L1740 PolarHBondContact O-N 3.45Å; Q1667-S1767 WeakPolarHBondContact CA-OG 3.47Å; Q1667-S1767 PolarHBondContact N-OG 2.83Å
1668G87.1Confident91.4Very high10 Ų1067.3 Ų67.310%0.10336%0.361CS..SBendtrans-168.4167.2-175.600000112.8S1666 T1670S1666-G1668 PolarHBondContact O-N 3.05Å; S1666-G1668 VanDerWaalsContact O-N 3.16Å; S1666-G1668 PolarHBondContact OG-N 3.37Å; S1666-G1668 PolarHBondContact OG-O 2.85Å; G1668-T1670 VanDerWaalsContact C-N 3.28Å; G1668-T1670 PolarHBondContact O-N 2.84Å
1669E80.6Confident91.6Very high115 Ų11566.9 Ų66.954%0.53736%0.357SS..SBendtrans-61.1-33.8-178.8-71.2174.6176.700113.5N1764 K1768E1669-N1764 HydrophobicContact CG-CB 4.17Å; E1669-N1764 VanDerWaalsContact CG-O 3.23Å; E1669-N1764 WeakPolarHBondContact CG-O 3.23Å; E1669-K1768 WeakPolarHBondContact O-CG 3.26Å
1670T83.2Confident91.7Very high107 Ų10770.3 Ų70.366%0.65637%0.37SS*.SBendtrans-95.9126.7-176.251.10000111.9S1666 G1668S1666-T1670 WeakPolarHBondContact CB-O 2.96Å; G1668-T1670 VanDerWaalsContact C-N 3.28Å; G1668-T1670 PolarHBondContact O-N 2.84Å
1671L88.3Confident91.9Very high44 Ų4466.4 Ų66.423%0.2335%0.353CS..  trans-92.7115.3-176.2-173.958.9000111.5T1683 K1768 C1769 R1770L1671-T1683 HydrophobicContact CD2-CG2 3.53Å; L1671-K1768 HydrophobicContact CB-CB 3.97Å; L1671-K1768 HydrophobicContact CD1-CB 3.93Å; L1671-K1768 HydrophobicContact CD2-CB 4.36Å; L1671-K1768 HydrophobicContact CG-CB 4.3Å; L1671-C1769 WeakPolarHBondContact CD2-O 3.43Å; L1671-R1770 HydrophobicContact CD1-CB 4.08Å; L1671-R1770 HydrophobicContact CD2-CB 4.05Å; L1671-R1770 HydrophobicContact CG-CB 4.26Å; L1671-R1770 PolarHBondContact O-NH2 3.47Å
1672Q87.1Confident91.9Very high129 Ų12966.6 Ų66.660%0.60335%0.352SS*.PPolyproline II helixtrans-61.6150.8175-63.2-59.3-36.700111.7R1770Q1672-R1770 VanDerWaalsContact O-CZ 3.24Å; Q1672-R1770 PolarHBondContact O-NE 3.23Å; Q1672-R1770 PolarHBondContact O-NH2 2.69Å; Q1672-R1770 VanDerWaalsContact O-NH2 3.11Å
1673P91.9Very high91.9Very high91 Ų9165.9 Ų65.959%0.59135%0.354SS*.PPolyproline II helixtrans-67.4158.3172.630-35.5000111.5
1674C95.3Very high91.8Very high15 Ų1566 Ų6610%0.10136%0.356CS..PPolyproline II helixtrans-55.4148.5168.4-68.30000110.9W1678 E1680 R1770 C1772C1674-W1678 HydrophobicContact CB-CB 4.09Å; C1674-E1680 VanDerWaalsContact SG-CA 3.56Å; C1674-R1770 WeakPolarHBondContact SG-CD 3.27Å; C1674-C1772 VanDerWaalsContact CA-SG 3.52Å; C1674-C1772 HydrophobicContact CB-CB 3.85Å; C1674-C1772 WeakPolarHBondContact CB-SG 3.3Å; C1674-C1772 WeakPolarHBondContact SG-CB 3.27Å; C1674-C1772 CovalentContact SG-SG 2.04Å; C1674-C1772 PolarHBondContact SG-SG 3.44Å
1675P93.1Very high91.7Very high51 Ų5162.3 Ų62.333%0.33134%0.34SS..PPolyproline II helixtrans-59.1149.5177.4-19.630.6000111.5F1664 T1677 W1678F1664-P1675 HydrophobicContact CE1-CG 4.02Å; F1664-P1675 HydrophobicContact CZ-CG 3.98Å; P1675-T1677 PolarHBondContact O-N 3.3Å; P1675-W1678 HydrophobicContact CB-CG 4.4Å; P1675-W1678 HydrophobicContact CG-CG 4.46Å; P1675-W1678 WeakPolarHBondContact O-CB 3.35Å; P1675-W1678 PolarHBondContact O-N 3.3Å
1676N87.4Confident91.6Very high173 Ų17360.2 Ų60.293%0.92533%0.33SS*.THydrogen-bonded Turntrans-56.7-6.5-166.4-63.6-37.2000117.6
1677T91Very high91.6Very high90 Ų9058.9 Ų58.955%0.55232%0.321SS*.THydrogen-bonded Turntrans-112.716.1176.649.20000113.1P1675 I1775P1675-T1677 PolarHBondContact O-N 3.3Å; T1677-I1775 WeakPolarHBondContact O-CB 3.42Å; T1677-I1775 PolarHBondContact O-N 2.74Å
1678W94.7Very high91.7Very high51 Ų5156.3 Ų56.319%0.19331%0.31CS..EExtended strand (participates in β ladder)trans-129.8144.3-174.1-60.265.8000110.4F1662 F1664 C1674 P1675 C1772 M1773 K1774F1662-W1678 HydrophobicContact CB-CZ3 4.34Å; F1662-W1678 AromaticContact CD2-CH2 3.57Å; F1662-W1678 HydrophobicContact CD2-CH2 3.57Å; F1662-W1678 AromaticContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CD2-CZ3 3.74Å; F1662-W1678 HydrophobicContact CE2-CH2 4.12Å; F1664-W1678 HydrophobicContact CE2-CE3 4.44Å; C1674-W1678 HydrophobicContact CB-CB 4.09Å; P1675-W1678 HydrophobicContact CB-CG 4.4Å; P1675-W1678 HydrophobicContact CG-CG 4.46Å; P1675-W1678 WeakPolarHBondContact O-CB 3.35Å; P1675-W1678 PolarHBondContact O-N 3.3Å; W1678-C1772 HydrophobicContact CB-CB 4.14Å; W1678-C1772 HydrophobicContact CE3-CB 3.97Å; W1678-M1773 CarbonylContact C-O 3.55Å; W1678-M1773 VanDerWaalsContact CA-O 3.25Å; W1678-M1773 WeakPolarHBondContact CA-O 3.18Å; W1678-K1774 HydrophobicContact CD2-CB 3.88Å; W1678-K1774 HydrophobicContact CD2-CG 4.35Å; W1678-K1774 HydrophobicContact CE3-CB 3.84Å; W1678-K1774 HydrophobicContact CH2-CB 3.86Å; W1678-K1774 HydrophobicContact CZ2-CB 3.93Å; W1678-K1774 HydrophobicContact CZ2-CD 4.13Å; W1678-K1774 HydrophobicContact CZ2-CG 4.14Å; W1678-K1774 HydrophobicContact CZ3-CB 3.82Å
1679T94.4Very high91.8Very high55 Ų5558.4 Ų58.434%0.33732%0.318SS..EExtended strand (participates in β ladder)trans-96.7148168.3-172.60000109.7L1681 C1772 M1773T1679-L1681 HydrophobicContact CG2-CD2 4.25Å; T1679-C1772 CarbonylContact O-C 3.51Å; T1679-C1772 VanDerWaalsContact O-CA 3.24Å; T1679-C1772 WeakPolarHBondContact O-CA 3.09Å; T1679-M1773 HydrophobicContact CG2-CB 4.03Å; T1679-M1773 HydrophobicContact CG2-CE 3.82Å; T1679-M1773 PolarHBondContact N-O 2.64Å; T1679-M1773 PolarHBondContact O-N 2.99Å
1680E95.6Very high92.1Very high87 Ų8753.2 Ų53.241%0.40729%0.294SS..EExtended strand (participates in β ladder)trans-74.1143.9169.5-176.2172.214900110.7C1674 T1683 R1770C1674-E1680 VanDerWaalsContact SG-CA 3.56Å; E1680-T1683 WeakPolarHBondContact OE1-CG2 3.49Å; E1680-R1770 HydrophobicContact CG-CG 3.91Å; E1680-R1770 IonicContact OE1-NH1 3.2Å; E1680-R1770 WeakPolarHBondContact OE2-CD 3.42Å; E1680-R1770 IonicContact OE2-CZ 3.97Å; E1680-R1770 IonicContact OE2-NE 3.22Å; E1680-R1770 IonicContact OE2-NH1 3.8Å; E1680-R1770 PolarHBondContact OE2-NH1 2.72Å
1681L95.5Very high92.3Very high21 Ų2149.4 Ų49.411%0.1127%0.271CS..EExtended strand (participates in β ladder)trans-111.1-46.7170.5-57.2-165.7000111.7F1552 P1567 V1661 T1679 V1771 M1773F1552-L1681 HydrophobicContact CE2-CD1 4.36Å; F1552-L1681 HydrophobicContact CZ-CD1 3.97Å; P1567-L1681 HydrophobicContact CB-CB 3.9Å; P1567-L1681 HydrophobicContact CB-CD1 4.11Å; P1567-L1681 HydrophobicContact CB-CD2 3.83Å; P1567-L1681 HydrophobicContact CB-CG 4.17Å; P1567-L1681 HydrophobicContact CG-CB 4.13Å; P1567-L1681 HydrophobicContact CG-CD1 4.2Å; V1661-L1681 HydrophobicContact CG1-CD1 3.52Å; V1661-L1681 HydrophobicContact CG1-CG 4.49Å; V1661-L1681 HydrophobicContact CG2-CD1 4.11Å; T1679-L1681 HydrophobicContact CG2-CD2 4.25Å; L1681-V1771 HydrophobicContact CB-CG1 4.41Å; L1681-V1771 HydrophobicContact CD1-CG1 4.35Å; L1681-V1771 PolarHBondContact N-O 3.12Å; L1681-M1773 HydrophobicContact CD1-CB 4.09Å; L1681-M1773 HydrophobicContact CD2-CB 3.79Å; L1681-M1773 HydrophobicContact CD2-CE 4.22Å; L1681-M1773 HydrophobicContact CG-CB 3.99Å
1682W95.2Very high91.8Very high16 Ų1647.7 Ų47.76%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-159.717417268.593.8000112.2F1552 R1554 P1567 P1704 C1707 E1709 V1771F1552-W1682 AromaticContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CH2 3.97Å; F1552-W1682 HydrophobicContact CD2-CZ3 4.23Å; F1552-W1682 AromaticContact CE2-CH2 3.83Å; F1552-W1682 HydrophobicContact CE2-CH2 3.83Å; F1552-W1682 AromaticContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CE2-CZ3 3.63Å; F1552-W1682 HydrophobicContact CZ-CZ3 4.5Å; R1554-W1682 HydrophobicContact CB-CH2 4.18Å; R1554-W1682 HydrophobicContact CB-CZ3 4.39Å; R1554-W1682 HydrophobicContact CG-CE3 4.37Å; R1554-W1682 HydrophobicContact CG-CH2 4.09Å; R1554-W1682 HydrophobicContact CG-CZ2 4.29Å; R1554-W1682 HydrophobicContact CG-CZ3 4.16Å; P1567-W1682 HydrophobicContact CG-CE3 4.11Å; P1567-W1682 HydrophobicContact CG-CZ3 4.04Å; W1682-P1704 HydrophobicContact CH2-CB 3.77Å; W1682-P1704 HydrophobicContact CZ2-CB 3.82Å; W1682-C1707 PolarHBondContact NE1-O 2.83Å; W1682-E1709 HydrophobicContact CB-CG 4.42Å; W1682-E1709 VanDerWaalsContact CD1-CG 3.44Å; W1682-E1709 HydrophobicContact CG-CG 4.06Å; W1682-V1771 HydrophobicContact CD2-CB 3.79Å; W1682-V1771 HydrophobicContact CD2-CG1 4.35Å; W1682-V1771 HydrophobicContact CD2-CG2 3.98Å; W1682-V1771 VanDerWaalsContact CE2-CG2 3.41Å; W1682-V1771 HydrophobicContact CE3-CB 4.04Å; W1682-V1771 HydrophobicContact CE3-CG1 4.15Å; W1682-V1771 HydrophobicContact CG-CB 4.32Å; W1682-V1771 HydrophobicContact CG-CG2 4.45Å; W1682-V1771 HydrophobicContact CH2-CB 4.23Å; W1682-V1771 HydrophobicContact CH2-CG1 3.83Å; W1682-V1771 HydrophobicContact CH2-CG2 4.24Å; W1682-V1771 HydrophobicContact CZ2-CB 4.01Å; W1682-V1771 HydrophobicContact CZ2-CG1 4.05Å; W1682-V1771 HydrophobicContact CZ2-CG2 3.59Å; W1682-V1771 HydrophobicContact CZ3-CB 4.22Å; W1682-V1771 HydrophobicContact CZ3-CG1 3.85Å; W1682-V1771 PolarHBondContact O-N 2.66Å
1683T95.9Very high91.4Very high61 Ų6143.7 Ų43.737%0.37426%0.256SS..EExtended strand (participates in β ladder)trans-126.4160.8174.8560000110.3L1671 E1680 C1769 R1770L1671-T1683 HydrophobicContact CD2-CG2 3.53Å; E1680-T1683 WeakPolarHBondContact OE1-CG2 3.49Å; T1683-C1769 CarbonylContact C-O 3.56Å; T1683-C1769 WeakPolarHBondContact CA-O 3.4Å; T1683-R1770 HydrophobicContact CG2-CG 4.02Å
1684G93.8Very high90.6Very high10 Ų1044 Ų4410%0.10327%0.266CS..EExtended strand (participates in β ladder)trans-176.6-152.1177.900000114.5M1708 K1768 C1769G1684-M1708 CarbonylContact C-O 3.48Å; G1684-M1708 VanDerWaalsContact CA-O 3.24Å; G1684-M1708 WeakPolarHBondContact CA-O 3.29Å; G1684-K1768 CarbonylContact O-C 3.47Å; G1684-K1768 WeakPolarHBondContact O-CA 3.16Å; G1684-C1769 PolarHBondContact N-O 2.89Å; G1684-C1769 PolarHBondContact O-N 3.19Å; G1684-C1769 PolarHBondContact O-SG 3.37Å
1685V93.3Very high89.9Confident4 Ų446.2 Ų46.22%0.02428%0.275CS..EExtended strand (participates in β ladder)trans-109.7148.9174-71.70000112.6L1687 M1708 F1711 Y1736 L1763 V1766 C1769V1685-L1687 PolarHBondContact O-N 3.13Å; V1685-M1708 HydrophobicContact CG2-CB 4.27Å; V1685-M1708 WeakPolarHBondContact CG2-O 3.35Å; V1685-M1708 PolarHBondContact N-O 2.97Å; V1685-M1708 PolarHBondContact O-N 3.12Å; V1685-F1711 HydrophobicContact CG1-CB 4.22Å; V1685-F1711 HydrophobicContact CG2-CB 4.01Å; V1685-Y1736 HydrophobicContact CB-CD1 4.24Å; V1685-Y1736 HydrophobicContact CB-CE1 4.3Å; V1685-Y1736 HydrophobicContact CG2-CD1 4.09Å; V1685-Y1736 HydrophobicContact CG2-CE1 3.64Å; V1685-L1763 HydrophobicContact CG1-CD2 3.73Å; V1685-V1766 HydrophobicContact CB-CG1 3.75Å; V1685-V1766 HydrophobicContact CG1-CG1 3.71Å; V1685-C1769 PolarHBondContact N-SG 3.1Å; V1685-C1769 PolarHBondContact O-SG 2.97Å; V1685-C1769 VanDerWaalsContact O-SG 3.36Å
1686S95.6Very high89.4Confident0 Ų045.7 Ų45.70%028%0.278CS..EExtended strand (participates in β ladder)trans-84.887.6-169.6-54.60000112.5H1665 S1706 Y1736 L1737 S1767 K1768H1665-S1686 WeakPolarHBondContact ND1-CB 3.37Å; H1665-S1686 PolarHBondContact ND1-OG 2.98Å; S1686-S1706 CarbonylContact C-O 3.51Å; S1686-S1706 WeakPolarHBondContact CA-O 3.04Å; S1686-Y1736 CarbonylContact O-C 3.52Å; S1686-Y1736 WeakPolarHBondContact O-CA 3.27Å; S1686-Y1736 WeakPolarHBondContact O-CB 3.12Å; S1686-L1737 PolarHBondContact O-N 2.9Å; S1686-S1767 VanDerWaalsContact CB-O 3.28Å; S1686-S1767 WeakPolarHBondContact CB-O 3.21Å; S1686-S1767 PolarHBondContact N-O 2.77Å; S1686-S1767 VanDerWaalsContact OG-C 3.29Å; S1686-S1767 WeakPolarHBondContact OG-CB 3.49Å; S1686-S1767 PolarHBondContact OG-O 3.05Å; S1686-S1767 PolarHBondContact OG-OG 3.22Å; S1686-K1768 PolarHBondContact OG-O 3.35Å; S1686-K1768 VanDerWaalsContact OG-O 3.13Å
1687L93.5Very high89.3Confident4 Ų437.5 Ų37.52%0.02124%0.235CC..EExtended strand (participates in β ladder)trans-70.9134.3172.6175.962.4000110.5L1593 V1685 Q1699 S1706 M1708 V1734 Y1736L1593-L1687 HydrophobicContact CD1-CD2 3.99Å; V1685-L1687 PolarHBondContact O-N 3.13Å; L1687-Q1699 HydrophobicContact CD2-CG 3.96Å; L1687-Q1699 HydrophobicContact CG-CG 4.1Å; L1687-S1706 PolarHBondContact N-O 2.96Å; L1687-S1706 WeakPolarHBondContact O-CA 3.5Å; L1687-S1706 WeakPolarHBondContact O-CB 3.37Å; L1687-M1708 HydrophobicContact CB-CG 3.98Å; L1687-M1708 HydrophobicContact CD2-CG 3.7Å; L1687-M1708 HydrophobicContact CG-CG 4.46Å; L1687-V1734 HydrophobicContact CD1-CG1 3.39Å; L1687-Y1736 HydrophobicContact CB-CD1 4.36Å; L1687-Y1736 HydrophobicContact CB-CE1 4.23Å; L1687-Y1736 HydrophobicContact CD1-CE1 4.41Å
1688I93Very high89.1Confident48 Ų4835.4 Ų35.425%0.24623%0.231CC..EExtended strand (participates in β ladder)trans-108.5-56.2173.2-45.4178.1000110.8G1698 Q1699 L1701 Y1735 L1737I1688-G1698 CarbonylContact O-C 3.56Å; I1688-G1698 WeakPolarHBondContact O-CA 3.22Å; I1688-Q1699 PolarHBondContact O-N 3.45Å; I1688-L1701 HydrophobicContact CG1-CD2 4.38Å; I1688-Y1735 PolarHBondContact N-O 3.5Å; I1688-L1737 HydrophobicContact CD1-CB 4.33Å; I1688-L1737 HydrophobicContact CD1-CD2 3.78Å; I1688-L1737 HydrophobicContact CD1-CG 3.74Å; I1688-L1737 HydrophobicContact CG1-CB 4.49Å; I1688-L1737 HydrophobicContact CG1-CD2 4.45Å; I1688-L1737 HydrophobicContact CG1-CG 3.89Å
1689L89.7Confident88.9Confident54 Ų5433.6 Ų33.628%0.28323%0.225SC..EExtended strand (participates in β ladder)trans-153.7164.7-175.773.6127.6000112.3T1691 G1697 Y1735L1689-T1691 HydrophobicContact CD1-CG2 3.81Å; L1689-G1697 WeakPolarHBondContact CA-O 3.44Å; L1689-G1697 WeakPolarHBondContact CB-O 3.4Å; L1689-Y1735 HydrophobicContact CD1-CD2 3.66Å; L1689-Y1735 HydrophobicContact CD1-CE2 3.96Å; L1689-Y1735 HydrophobicContact CD1-CG 4.28Å; L1689-Y1735 HydrophobicContact CD2-CD2 4.18Å; L1689-Y1735 HydrophobicContact CD2-CG 3.98Å; L1689-Y1735 HydrophobicContact CG-CD2 3.62Å; L1689-Y1735 HydrophobicContact CG-CE2 4.42Å; L1689-Y1735 HydrophobicContact CG-CG 3.91Å; L1689-Y1735 PolarHBondContact N-O 3.03Å; L1689-Y1735 PolarHBondContact O-N 2.98Å
1690H87.9Confident88.9Confident7 Ų737.1 Ų37.13%0.03224%0.237CC..EExtended strand (participates in β ladder)trans-128.9154.1168.859.3-81.4000109.3V1580 M1581 G1696 G1697 V1716 K1733 V1734V1580-H1690 WeakPolarHBondContact CG1-CE1 3.12Å; V1580-H1690 WeakPolarHBondContact CG1-NE2 3.23Å; M1581-H1690 WeakPolarHBondContact CE-NE2 3.5Å; H1690-G1696 CarbonylContact O-C 3.5Å; H1690-G1696 WeakPolarHBondContact O-CA 3.36Å; H1690-G1697 VanDerWaalsContact CE1-CA 3.45Å; H1690-G1697 WeakPolarHBondContact CE1-CA 3.47Å; H1690-G1697 PolarHBondContact CE1-O 3.27Å; H1690-G1697 PolarHBondContact N-O 2.76Å; H1690-G1697 PolarHBondContact ND1-O 3.05Å; H1690-G1697 VanDerWaalsContact ND1-O 3.07Å; H1690-G1697 PolarHBondContact O-N 3.02Å; H1690-V1716 HydrophobicContact CB-CG2 4.15Å; H1690-K1733 CarbonylContact C-O 3.19Å; H1690-K1733 WeakPolarHBondContact CA-O 3.46Å; H1690-V1734 HydrophobicContact CB-CG2 3.75Å
1691T86.4Confident89Confident27 Ų2736.5 Ų36.517%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-135.2157169.8670000110.5L1689 H1695 A1732 K1733 Y1735L1689-T1691 HydrophobicContact CD1-CG2 3.81Å; T1691-H1695 CarbonylContact C-O 3.59Å; T1691-H1695 WeakPolarHBondContact CA-O 3.44Å; T1691-H1695 WeakPolarHBondContact CB-O 3.35Å; T1691-A1732 CarbonylContact O-C 3.55Å; T1691-A1732 WeakPolarHBondContact O-CA 3.45Å; T1691-K1733 PolarHBondContact N-O 2.91Å; T1691-K1733 PolarHBondContact O-N 2.98Å; T1691-Y1735 HydrophobicContact CG2-CE2 4.13Å
1692S78.8Confident89Confident8 Ų837.8 Ų37.86%0.05625%0.247CC..EExtended strand (participates in β ladder)trans-134.3128.8153.4-137.90000107A1694 H1695 D1731S1692-A1694 PolarHBondContact O-N 3.48Å; S1692-H1695 PolarHBondContact N-O 3.17Å; S1692-H1695 PolarHBondContact O-N 2.92Å; S1692-H1695 VanDerWaalsContact O-O 3.07Å; S1692-D1731 VanDerWaalsContact C-OD2 3.28Å; S1692-D1731 VanDerWaalsContact CA-OD2 3.31Å; S1692-D1731 WeakPolarHBondContact CA-OD2 3.26Å; S1692-D1731 WeakPolarHBondContact CB-OD2 3.38Å; S1692-D1731 PolarHBondContact OG-OD2 2.88Å
1693G76.9Confident89.1Confident45 Ų4537.7 Ų37.746%0.46425%0.249SC..THydrogen-bonded Turntrans52.7-128-167.500000111.4D1731G1693-D1731 PolarHBondContact N-OD2 2.77Å
1694A76.6Confident89.1Confident96 Ų9635.3 Ų35.379%0.79324%0.235SC*.THydrogen-bonded Turntrans-84.5-4.817700000114.3S1692S1692-A1694 PolarHBondContact O-N 3.48Å
1695H79.6Confident89.1Confident62 Ų6235.1 Ų35.129%0.28723%0.233SC..EExtended strand (participates in β ladder)trans-106.8144.4-171.2-47.8-56.6000110.9V1585 L1588 T1691 S1692V1585-H1695 WeakPolarHBondContact CG1-NE2 3.15Å; L1588-H1695 HydrophobicContact CD1-CB 3.52Å; T1691-H1695 CarbonylContact C-O 3.59Å; T1691-H1695 WeakPolarHBondContact CA-O 3.44Å; T1691-H1695 WeakPolarHBondContact CB-O 3.35Å; S1692-H1695 PolarHBondContact N-O 3.17Å; S1692-H1695 PolarHBondContact O-N 2.92Å; S1692-H1695 VanDerWaalsContact O-O 3.07Å
1696G82.2Confident89.3Confident40 Ų4034.9 Ų34.941%0.41223%0.232SC..EExtended strand (participates in β ladder)trans-167.9157.9-168.500000115.1M1581 H1690M1581-G1696 WeakPolarHBondContact CE-O 3.42Å; H1690-G1696 CarbonylContact O-C 3.5Å; H1690-G1696 WeakPolarHBondContact O-CA 3.36Å
1697G85.2Confident89.3Confident2 Ų235 Ų352%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-133.9131.5-173.400000112.5M1581 S1590 L1689 H1690M1581-G1697 VanDerWaalsContact CE-N 3.33Å; S1590-G1697 WeakPolarHBondContact OG-CA 3.34Å; L1689-G1697 WeakPolarHBondContact CA-O 3.44Å; L1689-G1697 WeakPolarHBondContact CB-O 3.4Å; H1690-G1697 VanDerWaalsContact CE1-CA 3.45Å; H1690-G1697 WeakPolarHBondContact CE1-CA 3.47Å; H1690-G1697 PolarHBondContact CE1-O 3.27Å; H1690-G1697 PolarHBondContact N-O 2.76Å; H1690-G1697 PolarHBondContact ND1-O 3.05Å; H1690-G1697 VanDerWaalsContact ND1-O 3.07Å; H1690-G1697 PolarHBondContact O-N 3.02Å
1698G86.7Confident89.3Confident45 Ų4535.2 Ų35.246%0.46423%0.233SC..EExtended strand (participates in β ladder)trans-94.4157.4178.400000113I1688I1688-G1698 CarbonylContact O-C 3.56Å; I1688-G1698 WeakPolarHBondContact O-CA 3.22Å
1699Q92.4Very high89.2Confident13 Ų1334.7 Ų34.76%0.06123%0.23CC..  trans-111.9137.1169.2-58.8-59.2-62.500108.6M1591 L1593 L1687 I1688 L1701M1591-Q1699 PolarHBondContact O-NE2 3.35Å; L1593-Q1699 VanDerWaalsContact CB-OE1 3.26Å; L1687-Q1699 HydrophobicContact CD2-CG 3.96Å; L1687-Q1699 HydrophobicContact CG-CG 4.1Å; I1688-Q1699 PolarHBondContact O-N 3.45Å; Q1699-L1701 PolarHBondContact O-N 2.78Å
1700Q94.1Very high89.2Confident129 Ų12934.2 Ų34.260%0.60323%0.226SC*.  trans-69.7126174-61.2-172.42100109.1D1592 S1702 S1703 S1706D1592-Q1700 PolarHBondContact OD2-N 3.14Å; D1592-Q1700 VanDerWaalsContact OD2-N 3.09Å; Q1700-S1702 PolarHBondContact O-N 3.5Å; Q1700-S1703 VanDerWaalsContact O-CB 3.29Å; Q1700-S1703 WeakPolarHBondContact O-CB 2.99Å; Q1700-S1703 PolarHBondContact O-N 2.83Å; Q1700-S1706 WeakPolarHBondContact O-CB 3.06Å
1701L96.1Very high89.3Confident74 Ų7435.7 Ų35.739%0.38723%0.232SC..THydrogen-bonded Turntrans-63.8-7.4-179.8-67.2177.3000114.5H1665 I1688 Q1699 L1737H1665-L1701 PolarHBondContact CD2-O 2.99Å; H1665-L1701 PolarHBondContact NE2-O 3.23Å; I1688-L1701 HydrophobicContact CG1-CD2 4.38Å; Q1699-L1701 PolarHBondContact O-N 2.78Å; L1701-L1737 HydrophobicContact CD1-CD1 4.18Å; L1701-L1737 HydrophobicContact CD2-CD1 3.89Å; L1701-L1737 HydrophobicContact CD2-CG 4.38Å
1702S95.9Very high89.3Confident48 Ų4837 Ų3734%0.33623%0.234SC..THydrogen-bonded Turntrans-92.1-24.7169.955.90000112.6F1662 A1663 Q1700F1662-S1702 CarbonylContact C-O 3.49Å; F1662-S1702 VanDerWaalsContact CA-O 3.32Å; F1662-S1702 WeakPolarHBondContact CA-O 3.01Å; F1662-S1702 VanDerWaalsContact CD1-O 3.32Å; F1662-S1702 WeakPolarHBondContact CD1-O 3.38Å; A1663-S1702 PolarHBondContact N-O 3.27Å; Q1700-S1702 PolarHBondContact O-N 3.5Å
1703S96.7Very high89.5Confident14 Ų1442.4 Ų42.410%0.09825%0.254CS..SBendtrans-73.2146.4-177.7178.90000111.7D1592 G1594 A1663 Q1700 G1705 S1706D1592-S1703 VanDerWaalsContact OD1-CB 3.29Å; D1592-S1703 WeakPolarHBondContact OD1-CB 3.5Å; D1592-S1703 PolarHBondContact OD1-OG 3.44Å; D1592-S1703 VanDerWaalsContact OD2-CB 3.3Å; D1592-S1703 WeakPolarHBondContact OD2-CB 3.37Å; D1592-S1703 PolarHBondContact OD2-OG 3.17Å; G1594-S1703 WeakPolarHBondContact CA-OG 3.48Å; A1663-S1703 WeakPolarHBondContact CB-O 3.48Å; Q1700-S1703 VanDerWaalsContact O-CB 3.29Å; Q1700-S1703 WeakPolarHBondContact O-CB 2.99Å; Q1700-S1703 PolarHBondContact O-N 2.83Å; S1703-G1705 PolarHBondContact O-N 2.86Å; S1703-G1705 PolarHBondContact OG-N 3.45Å; S1703-S1706 PolarHBondContact O-N 3.45Å; S1703-S1706 PolarHBondContact O-OG 2.93Å
1704P96.6Very high89.7Confident11 Ų1141.7 Ų41.77%0.07124%0.242CC..G310 helixtrans-51.6-25.6167.7-26.335.7000114.4F1552 V1661 W1682 S1706 C1707 V1771F1552-P1704 HydrophobicContact CB-CG 4.43Å; V1661-P1704 HydrophobicContact CB-CG 4.27Å; V1661-P1704 HydrophobicContact CG1-CG 3.85Å; W1682-P1704 HydrophobicContact CH2-CB 3.77Å; W1682-P1704 HydrophobicContact CZ2-CB 3.82Å; P1704-S1706 VanDerWaalsContact C-N 3.3Å; P1704-S1706 PolarHBondContact O-N 3.01Å; P1704-C1707 PolarHBondContact O-N 3.33Å; P1704-V1771 HydrophobicContact CB-CG1 4.1Å; P1704-V1771 HydrophobicContact CB-CG2 4.32Å; P1704-V1771 HydrophobicContact CG-CG1 4.22Å
1705G95.1Very high90.2Very high6 Ų637.2 Ų37.26%0.06221%0.205CC..G310 helixtrans-65.8-24.1-179.800000115.5L1593 S1703 C1707L1593-G1705 VanDerWaalsContact C-CA 3.49Å; S1703-G1705 PolarHBondContact O-N 2.86Å; S1703-G1705 PolarHBondContact OG-N 3.45Å; G1705-C1707 PolarHBondContact O-N 3.44Å
1706S96.7Very high90.6Very high0 Ų034.9 Ų34.90%020%0.195CC..G310 helixtrans-73.8-7.2172.368.50000113.1A1663 H1665 S1686 L1687 Q1700 S1703 P1704A1663-S1706 WeakPolarHBondContact CB-OG 3.45Å; H1665-S1706 PolarHBondContact CE1-O 3.07Å; H1665-S1706 PolarHBondContact CE1-OG 3.08Å; H1665-S1706 PolarHBondContact NE2-OG 3.22Å; S1686-S1706 CarbonylContact C-O 3.51Å; S1686-S1706 WeakPolarHBondContact CA-O 3.04Å; L1687-S1706 PolarHBondContact N-O 2.96Å; L1687-S1706 WeakPolarHBondContact O-CA 3.5Å; L1687-S1706 WeakPolarHBondContact O-CB 3.37Å; Q1700-S1706 WeakPolarHBondContact O-CB 3.06Å; S1703-S1706 PolarHBondContact O-N 3.45Å; S1703-S1706 PolarHBondContact O-OG 2.93Å; P1704-S1706 VanDerWaalsContact C-N 3.3Å; P1704-S1706 PolarHBondContact O-N 3.01Å
1707C96.4Very high91.1Very high3 Ų333 Ų332%0.0218%0.176CC..EExtended strand (participates in β ladder)trans-116.176-174.2-166.50000112.6A1663 W1682 P1704 G1705 C1769 V1771A1663-C1707 HydrophobicContact CB-CB 4.12Å; W1682-C1707 PolarHBondContact NE1-O 2.83Å; P1704-C1707 PolarHBondContact O-N 3.33Å; G1705-C1707 PolarHBondContact O-N 3.44Å; C1707-C1769 WeakPolarHBondContact CA-SG 3.36Å; C1707-C1769 HydrophobicContact CB-CB 3.83Å; C1707-C1769 WeakPolarHBondContact CB-SG 3.08Å; C1707-C1769 WeakPolarHBondContact SG-CB 3.26Å; C1707-C1769 CovalentContact SG-SG 2.03Å; C1707-C1769 PolarHBondContact SG-SG 3.36Å; C1707-V1771 HydrophobicContact CB-CG2 3.49Å; C1707-V1771 VanDerWaalsContact CB-CG2 3.49Å
1708M93.5Very high91.3Very high8 Ų833.3 Ų33.34%0.03918%0.177CC..EExtended strand (participates in β ladder)trans-68.7126.5175.1-78.4-78.7-74.500110.8Q1557 L1629 G1684 V1685 L1687 H1710 P1715Q1557-M1708 HydrophobicContact CG-CE 4.16Å; L1629-M1708 HydrophobicContact CD1-CE 3.83Å; L1629-M1708 HydrophobicContact CD1-SD 4.04Å; L1629-M1708 HydrophobicContact CD2-CE 3.95Å; L1629-M1708 HydrophobicContact CD2-SD 3.85Å; L1629-M1708 HydrophobicContact CG-CE 4.18Å; G1684-M1708 CarbonylContact C-O 3.48Å; G1684-M1708 VanDerWaalsContact CA-O 3.24Å; G1684-M1708 WeakPolarHBondContact CA-O 3.29Å; V1685-M1708 HydrophobicContact CG2-CB 4.27Å; V1685-M1708 WeakPolarHBondContact CG2-O 3.35Å; V1685-M1708 PolarHBondContact N-O 2.97Å; V1685-M1708 PolarHBondContact O-N 3.12Å; L1687-M1708 HydrophobicContact CB-CG 3.98Å; L1687-M1708 HydrophobicContact CD2-CG 3.7Å; L1687-M1708 HydrophobicContact CG-CG 4.46Å; M1708-H1710 VanDerWaalsContact C-N 3.32Å; M1708-H1710 PolarHBondContact O-N 3.08Å; M1708-P1715 HydrophobicContact CE-CB 3.96Å
1709E90.9Very high91.6Very high36 Ų3631.1 Ų31.117%0.16815%0.154CC..SBendtrans-59.7-40.6-177.3-69.6-175.8-12000112.5R1554 W1682R1554-E1709 IonicContact CZ-OE1 2.6Å; R1554-E1709 VanDerWaalsContact CZ-OE1 3.24Å; R1554-E1709 IonicContact CZ-OE2 2.7Å; R1554-E1709 IonicContact NE-OE1 3.84Å; R1554-E1709 PolarHBondContact NE-OE1 3.4Å; R1554-E1709 IonicContact NE-OE2 2.62Å; R1554-E1709 IonicContact NH2-OE1 3.55Å; R1554-E1709 PolarHBondContact NH2-OE1 3.48Å; R1554-E1709 IonicContact NH2-OE2 2.69Å; R1554-E1709 PolarHBondContact NH2-OE2 3.1Å; W1682-E1709 HydrophobicContact CB-CG 4.42Å; W1682-E1709 VanDerWaalsContact CD1-CG 3.44Å; W1682-E1709 HydrophobicContact CG-CG 4.06Å
1710H89.3Confident91.2Very high44 Ų4431.9 Ų31.920%0.20416%0.159CC..SBendtrans-121.2150.4179.6-49.9-59.6000113.1E736 Q1557 L1632 M1708E736-H1710 IonicContact OE1-CE1 3.85Å; E736-H1710 IonicContact OE1-ND1 3.73Å; E736-H1710 PolarHBondContact OE1-ND1 3.28Å; Q1557-H1710 PolarHBondContact OE1-O 2.79Å; L1632-H1710 HydrophobicContact CD2-CB 4.18Å; M1708-H1710 VanDerWaalsContact C-N 3.32Å; M1708-H1710 PolarHBondContact O-N 3.08Å
1711F88.7Confident90.3Very high38 Ų3826.4 Ų26.417%0.16713%0.134CC..  trans-84.3137.1175.9176.3-96.7000111.6V1685 Y1713 Y1736 V1762 L1763 V1766V1685-F1711 HydrophobicContact CG1-CB 4.22Å; V1685-F1711 HydrophobicContact CG2-CB 4.01Å; F1711-Y1713 HydrophobicContact CE1-CD1 4.16Å; F1711-Y1713 HydrophobicContact CE1-CD2 4.24Å; F1711-Y1713 AromaticContact CE1-CE1 3.84Å; F1711-Y1713 HydrophobicContact CE1-CE1 3.84Å; F1711-Y1713 AromaticContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CG 4.35Å; F1711-Y1713 AromaticContact CE1-CZ 3.7Å; F1711-Y1713 HydrophobicContact CZ-CD1 4.08Å; F1711-Y1713 AromaticContact CZ-CE1 3.89Å; F1711-Y1713 HydrophobicContact CZ-CE1 3.89Å; F1711-Y1736 HydrophobicContact CD2-CD1 4.46Å; F1711-Y1736 HydrophobicContact CD2-CD2 4.07Å; F1711-Y1736 HydrophobicContact CD2-CE1 4.16Å; F1711-Y1736 AromaticContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CG 4.43Å; F1711-Y1736 AromaticContact CD2-CZ 3.76Å; F1711-Y1736 AromaticContact CE2-CD2 3.64Å; F1711-Y1736 HydrophobicContact CE2-CD2 3.64Å; F1711-Y1736 AromaticContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CE2 3.48Å; F1711-Y1736 VanDerWaalsContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CG 4.3Å; F1711-Y1736 HydrophobicContact CZ-CE2 4.48Å; F1711-V1762 HydrophobicContact CE1-CG1 4.27Å; F1711-V1762 HydrophobicContact CZ-CG1 3.91Å; F1711-L1763 HydrophobicContact CB-CD2 3.74Å; F1711-L1763 HydrophobicContact CB-CG 4.13Å; F1711-L1763 HydrophobicContact CD1-CG 4.44Å; F1711-L1763 HydrophobicContact CG-CD2 4.35Å; F1711-L1763 HydrophobicContact CG-CG 4.35Å; F1711-V1766 HydrophobicContact CD2-CG2 4.2Å; F1711-V1766 HydrophobicContact CE2-CG2 3.88Å
1712R86.2Confident89.1Confident55 Ų5526.5 Ų26.521%0.20813%0.134CC..  trans-141147.4171.1-62.3-76.6-90.7-167.3-3108.9T1631 L1632 V1633 P1715 Y1736T1631-R1712 VanDerWaalsContact O-CZ 3.27Å; T1631-R1712 PolarHBondContact O-NE 2.74Å; T1631-R1712 PolarHBondContact O-NH2 3.49Å; L1632-R1712 HydrophobicContact CD2-CG 4.3Å; L1632-R1712 PolarHBondContact O-NH1 3.4Å; V1633-R1712 PolarHBondContact O-NH2 3.28Å; R1712-P1715 HydrophobicContact CB-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CG 4.46Å; R1712-P1715 HydrophobicContact CG-CB 4.45Å; R1712-Y1736 PolarHBondContact N-OH 3.3Å; R1712-Y1736 PolarHBondContact O-OH 2.83Å; R1712-Y1736 VanDerWaalsContact O-OH 3.08Å
1713Y84.2Confident88Confident121 Ų12128.7 Ų28.748%0.47515%0.146SC..SBendtrans-72-36.2171.2-63.8-80.9000111.9F1711 A1757 V1762F1711-Y1713 HydrophobicContact CE1-CD1 4.16Å; F1711-Y1713 HydrophobicContact CE1-CD2 4.24Å; F1711-Y1713 AromaticContact CE1-CE1 3.84Å; F1711-Y1713 HydrophobicContact CE1-CE1 3.84Å; F1711-Y1713 AromaticContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CE2 3.91Å; F1711-Y1713 HydrophobicContact CE1-CG 4.35Å; F1711-Y1713 AromaticContact CE1-CZ 3.7Å; F1711-Y1713 HydrophobicContact CZ-CD1 4.08Å; F1711-Y1713 AromaticContact CZ-CE1 3.89Å; F1711-Y1713 HydrophobicContact CZ-CE1 3.89Å; Y1713-A1757 HydrophobicContact CE2-CB 4.1Å; Y1713-A1757 WeakPolarHBondContact OH-CB 3.3Å; Y1713-V1762 HydrophobicContact CE1-CG1 4.29Å; Y1713-V1762 WeakPolarHBondContact OH-CG2 3.39Å
1714S81.3Confident87.3Confident30 Ų3029.5 Ų29.521%0.2116%0.156CC..  trans-128.995168.5-178.30000109.2V1716S1714-V1716 VanDerWaalsContact C-N 3.32Å; S1714-V1716 PolarHBondContact OG-O 3.25Å
1715P85.7Confident87Confident2 Ų231.9 Ų31.91%0.01317%0.167CC..  trans-87.38.9170.831.9-32.8000113.5L1629 A1630 M1708 R1712 V1734L1629-P1715 CarbonylContact C-O 3.33Å; L1629-P1715 WeakPolarHBondContact CA-O 3.34Å; L1629-P1715 HydrophobicContact CD1-CB 4.39Å; L1629-P1715 WeakPolarHBondContact CD1-O 3.46Å; A1630-P1715 PolarHBondContact N-O 3.42Å; M1708-P1715 HydrophobicContact CE-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CB 3.96Å; R1712-P1715 HydrophobicContact CB-CG 4.46Å; R1712-P1715 HydrophobicContact CG-CB 4.45Å; P1715-V1734 HydrophobicContact CG-CB 4.18Å; P1715-V1734 HydrophobicContact CG-CG1 3.84Å; P1715-V1734 HydrophobicContact CG-CG2 3.85Å
1716V89.7Confident86.8Confident14 Ų1431.7 Ų31.79%0.08517%0.165CC..EExtended strand (participates in β ladder)trans-128.9136.6-177.7-176.60000109.4Y1627 W1628 H1690 S1714Y1627-V1716 HydrophobicContact CD1-CG1 4.03Å; Y1627-V1716 HydrophobicContact CG-CG1 4.39Å; W1628-V1716 CarbonylContact O-C 3.41Å; W1628-V1716 WeakPolarHBondContact O-CA 3.33Å; H1690-V1716 HydrophobicContact CB-CG2 4.15Å; S1714-V1716 VanDerWaalsContact C-N 3.32Å; S1714-V1716 PolarHBondContact OG-O 3.25Å
1717I91.3Very high86.6Confident0 Ų033.1 Ų33.10%017%0.171CC..EExtended strand (participates in β ladder)trans-113.8135.5170.7-169.1178.6000108.8Y1627 W1628 I1640 Q1648 I1649 C1726 H1727 Y1728Y1627-I1717 WeakPolarHBondContact CA-O 3.04Å; W1628-I1717 HydrophobicContact CB-CG2 4.04Å; W1628-I1717 PolarHBondContact N-O 3.07Å; W1628-I1717 PolarHBondContact O-N 3.12Å; I1640-I1717 HydrophobicContact CD1-CD1 4.26Å; Q1648-I1717 HydrophobicContact CB-CD1 4.18Å; I1649-I1717 HydrophobicContact CD1-CG2 3.7Å; I1717-C1726 HydrophobicContact CD1-CB 3.84Å; I1717-C1726 HydrophobicContact CG1-CB 4.17Å; I1717-H1727 WeakPolarHBondContact CG1-O 3.29Å; I1717-Y1728 HydrophobicContact CB-CD1 4.21Å; I1717-Y1728 HydrophobicContact CB-CE1 3.94Å; I1717-Y1728 HydrophobicContact CD1-CD2 4.18Å; I1717-Y1728 HydrophobicContact CD1-CE2 3.78Å; I1717-Y1728 HydrophobicContact CG1-CD1 4.37Å; I1717-Y1728 HydrophobicContact CG1-CD2 4.26Å; I1717-Y1728 HydrophobicContact CG1-CE1 4.32Å; I1717-Y1728 HydrophobicContact CG1-CE2 4.2Å; I1717-Y1728 HydrophobicContact CG1-CG 4.37Å
1718E90.9Very high86.3Confident8 Ų833.7 Ų33.74%0.03717%0.173CC..EExtended strand (participates in β ladder)trans-85.9141.6172.4-175.8179.1107.700109.6R1625 Y1627 C1726 H1727 W1729R1625-E1718 WeakPolarHBondContact CD-OE2 2.83Å; R1625-E1718 IonicContact CZ-OE1 2.65Å; R1625-E1718 IonicContact CZ-OE2 3.72Å; R1625-E1718 IonicContact NE-OE1 3.24Å; R1625-E1718 VanDerWaalsContact NH1-CD 3.28Å; R1625-E1718 IonicContact NH1-OE1 2.71Å; R1625-E1718 PolarHBondContact NH1-OE1 3.31Å; R1625-E1718 IonicContact NH1-OE2 3.5Å; R1625-E1718 PolarHBondContact NH1-OE2 3.3Å; Y1627-E1718 HydrophobicContact CD1-CB 3.91Å; Y1627-E1718 HydrophobicContact CD1-CG 4.11Å; Y1627-E1718 HydrophobicContact CE1-CB 3.59Å; Y1627-E1718 HydrophobicContact CE1-CG 3.51Å; Y1627-E1718 VanDerWaalsContact CE1-OE2 3.28Å; Y1627-E1718 WeakPolarHBondContact CE1-OE2 3.09Å; Y1627-E1718 VanDerWaalsContact CZ-OE2 3.29Å; Y1627-E1718 PolarHBondContact OH-OE2 3.25Å; E1718-C1726 CarbonylContact O-C 3.17Å; E1718-C1726 WeakPolarHBondContact O-CA 3.37Å; E1718-C1726 WeakPolarHBondContact O-CB 3.3Å; E1718-H1727 PolarHBondContact N-O 3.31Å; E1718-H1727 PolarHBondContact O-N 3.28Å; E1718-W1729 VanDerWaalsContact CD-CD1 3.46Å; E1718-W1729 VanDerWaalsContact CD-NE1 3.27Å; E1718-W1729 PolarHBondContact OE1-NE1 3.36Å
1719C91.1Very high86Confident0 Ų039 Ų390%019%0.193CC..EExtended strand (participates in β ladder)trans-123.4131.5169.6-710000109.9S1626 C1726S1626-C1719 PolarHBondContact N-O 2.86Å; S1626-C1719 PolarHBondContact O-N 2.8Å; C1719-C1726 VanDerWaalsContact CA-SG 3.51Å; C1719-C1726 HydrophobicContact CB-CB 4.06Å; C1719-C1726 WeakPolarHBondContact CB-SG 3.38Å; C1719-C1726 WeakPolarHBondContact SG-CB 3.48Å; C1719-C1726 CovalentContact SG-SG 2.04Å; C1719-C1726 PolarHBondContact SG-SG 3.03Å
1720N85.8Confident85.7Confident29 Ų2940.2 Ų40.216%0.15521%0.205CC..EExtended strand (participates in β ladder)trans-112.4125.2-178.9-174-49.3000109.4N1722 G1724 M1725N1720-N1722 PolarHBondContact OD1-N 3.34Å; N1720-N1722 VanDerWaalsContact OD1-N 3.13Å; N1720-G1724 PolarHBondContact O-N 2.99Å; N1720-M1725 PolarHBondContact N-O 3.45Å; N1720-M1725 PolarHBondContact O-N 3.42Å
1721N75.3Confident85.5Confident14 Ų1439.5 Ų39.58%0.07520%0.203CC..THydrogen-bonded Turntrans-63.8-50.9-177.362.2-16.7000112.9L1606 S1620 R1622 E1624 V1723 G1724L1606-N1721 HydrophobicContact CB-CB 4.13Å; S1620-N1721 WeakPolarHBondContact CA-ND2 3.11Å; R1622-N1721 PolarHBondContact O-ND2 3.09Å; R1622-N1721 PolarHBondContact O-OD1 2.99Å; R1622-N1721 VanDerWaalsContact O-OD1 3.06Å; E1624-N1721 WeakPolarHBondContact CB-ND2 3.37Å; E1624-N1721 PolarHBondContact N-OD1 3.23Å; E1624-N1721 PolarHBondContact O-OD1 2.59Å; E1624-N1721 PolarHBondContact OE2-ND2 3.06Å; N1721-V1723 VanDerWaalsContact C-N 3.28Å; N1721-V1723 PolarHBondContact O-N 3.01Å; N1721-G1724 PolarHBondContact O-N 3.38Å
1722N69.5Low85.2Confident75 Ų7538.6 Ų38.640%0.40120%0.203SC..THydrogen-bonded Turntrans-68.6-24-170.7-73.8-0.4000113.4R1622 N1720R1622-N1722 PolarHBondContact O-ND2 2.97Å; R1622-N1722 PolarHBondContact O-OD1 3.11Å; R1622-N1722 VanDerWaalsContact O-OD1 3.07Å; N1720-N1722 PolarHBondContact OD1-N 3.34Å; N1720-N1722 VanDerWaalsContact OD1-N 3.13Å
1723V73.6Confident85.3Confident94 Ų9439.3 Ų39.357%0.5721%0.207SC*.THydrogen-bonded Turntrans-99.8-13.9179.1-160.70000111.7N1721 M1725N1721-V1723 VanDerWaalsContact C-N 3.28Å; N1721-V1723 PolarHBondContact O-N 3.01Å; V1723-M1725 HydrophobicContact CB-CB 4.21Å; V1723-M1725 HydrophobicContact CB-CG 4.22Å; V1723-M1725 HydrophobicContact CG1-CB 4.13Å; V1723-M1725 HydrophobicContact CG1-CG 3.69Å; V1723-M1725 WeakPolarHBondContact O-CG 3.28Å; V1723-M1725 PolarHBondContact O-N 3.21Å
1724G81.9Confident85.5Confident31 Ų3135 Ų3532%0.3219%0.193SC..THydrogen-bonded Turntrans63.128.8-173.400000113.4V1642 N1720 N1721V1642-G1724 WeakPolarHBondContact CG2-O 3.31Å; V1642-G1724 PolarHBondContact N-O 3.14Å; N1720-G1724 PolarHBondContact O-N 2.99Å; N1721-G1724 PolarHBondContact O-N 3.38Å
1725M89.5Confident86Confident62 Ų6238.5 Ų38.531%0.30520%0.203SC..EExtended strand (participates in β ladder)trans-128.9151.4-170.6-70.4-75.5-178.400112.1P1639 I1640 P1641 N1720 V1723P1639-M1725 HydrophobicContact CB-CB 4.3Å; P1639-M1725 HydrophobicContact CB-CG 4.23Å; P1639-M1725 HydrophobicContact CB-SD 3.8Å; I1640-M1725 VanDerWaalsContact C-SD 3.53Å; I1640-M1725 CarbonylContact O-C 3.07Å; I1640-M1725 WeakPolarHBondContact O-CA 3.41Å; P1641-M1725 HydrophobicContact CB-SD 4.43Å; P1641-M1725 HydrophobicContact CG-CE 4.04Å; P1641-M1725 HydrophobicContact CG-SD 3.99Å; P1641-M1725 VanDerWaalsContact N-SD 3.43Å; N1720-M1725 PolarHBondContact N-O 3.45Å; N1720-M1725 PolarHBondContact O-N 3.42Å; V1723-M1725 HydrophobicContact CB-CB 4.21Å; V1723-M1725 HydrophobicContact CB-CG 4.22Å; V1723-M1725 HydrophobicContact CG1-CB 4.13Å; V1723-M1725 HydrophobicContact CG1-CG 3.69Å; V1723-M1725 WeakPolarHBondContact O-CG 3.28Å; V1723-M1725 PolarHBondContact O-N 3.21Å
1726C92.5Very high86.4Confident1 Ų140 Ų401%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-124.1145.1167.7-52.70000111.6I1640 T1645 I1717 E1718 C1719I1640-C1726 PolarHBondContact N-O 3.24Å; I1640-C1726 PolarHBondContact O-N 3.13Å; T1645-C1726 HydrophobicContact CG2-CB 3.76Å; I1717-C1726 HydrophobicContact CD1-CB 3.84Å; I1717-C1726 HydrophobicContact CG1-CB 4.17Å; E1718-C1726 CarbonylContact O-C 3.17Å; E1718-C1726 WeakPolarHBondContact O-CA 3.37Å; E1718-C1726 WeakPolarHBondContact O-CB 3.3Å; C1719-C1726 VanDerWaalsContact CA-SG 3.51Å; C1719-C1726 HydrophobicContact CB-CB 4.06Å; C1719-C1726 WeakPolarHBondContact CB-SG 3.38Å; C1719-C1726 WeakPolarHBondContact SG-CB 3.48Å; C1719-C1726 CovalentContact SG-SG 2.04Å; C1719-C1726 PolarHBondContact SG-SG 3.03Å
1727H91.7Very high86.6Confident31 Ų3140.8 Ų40.814%0.14421%0.212CC..EExtended strand (participates in β ladder)trans-142.9151.1-178.2-149.3-62.9000112.4P1639 I1717 E1718 W1729P1639-H1727 VanDerWaalsContact CA-CD2 3.44Å; P1639-H1727 WeakPolarHBondContact CA-CD2 3.3Å; P1639-H1727 VanDerWaalsContact N-CD2 3.31Å; I1717-H1727 WeakPolarHBondContact CG1-O 3.29Å; E1718-H1727 PolarHBondContact N-O 3.31Å; E1718-H1727 PolarHBondContact O-N 3.28Å; H1727-W1729 HydrophobicContact CB-CD2 4.04Å; H1727-W1729 HydrophobicContact CB-CE3 4.48Å; H1727-W1729 HydrophobicContact CB-CG 4.47Å; H1727-W1729 HydrophobicContact CB-CZ2 4.12Å
1728Y89.8Confident86.5Confident14 Ų1445.7 Ų45.76%0.05523%0.23CC..  trans-88.196.6160.5-61.4-88.6000108.6A1630 R1635 Q1648 I1717A1630-Y1728 HydrophobicContact CB-CE1 3.63Å; R1635-Y1728 HydrophobicContact CB-CD1 4.44Å; R1635-Y1728 HydrophobicContact CB-CD2 3.58Å; R1635-Y1728 HydrophobicContact CB-CE1 4.46Å; R1635-Y1728 HydrophobicContact CB-CE2 3.63Å; R1635-Y1728 HydrophobicContact CB-CG 3.99Å; Q1648-Y1728 VanDerWaalsContact OE1-CE2 3.31Å; Q1648-Y1728 PolarHBondContact OE1-OH 2.73Å; I1717-Y1728 HydrophobicContact CB-CD1 4.21Å; I1717-Y1728 HydrophobicContact CB-CE1 3.94Å; I1717-Y1728 HydrophobicContact CD1-CD2 4.18Å; I1717-Y1728 HydrophobicContact CD1-CE2 3.78Å; I1717-Y1728 HydrophobicContact CG1-CD1 4.37Å; I1717-Y1728 HydrophobicContact CG1-CD2 4.26Å; I1717-Y1728 HydrophobicContact CG1-CE1 4.32Å; I1717-Y1728 HydrophobicContact CG1-CE2 4.2Å; I1717-Y1728 HydrophobicContact CG1-CG 4.37Å
1729W86.9Confident86.4Confident120 Ų12045.7 Ų45.746%0.45523%0.232SC..  trans-77.7172.6175.4-56.9119.9000112.1E1718 H1727 D1731 A1732E1718-W1729 VanDerWaalsContact CD-CD1 3.46Å; E1718-W1729 VanDerWaalsContact CD-NE1 3.27Å; E1718-W1729 PolarHBondContact OE1-NE1 3.36Å; H1727-W1729 HydrophobicContact CB-CD2 4.04Å; H1727-W1729 HydrophobicContact CB-CE3 4.48Å; H1727-W1729 HydrophobicContact CB-CG 4.47Å; H1727-W1729 HydrophobicContact CB-CZ2 4.12Å; W1729-D1731 WeakPolarHBondContact CB-OD1 3.28Å; W1729-A1732 WeakPolarHBondContact O-CB 2.97Å
1730S84.5Confident86.2Confident61 Ų6149.6 Ų49.643%0.42725%0.252SS..SBendtrans-102.9-25.7-170.948.10000115.5E616 A1732E616-S1730 PolarHBondContact O-OG 2.83Å; S1730-A1732 PolarHBondContact O-N 3.39Å
1731D85.1Confident86Confident29 Ų2952.3 Ų52.316%0.15527%0.267CS..SBendtrans-61.6-21.1162.362.3-57.7000112.2E616 S1692 G1693 W1729 K1733E616-D1731 WeakPolarHBondContact OE2-CA 3.34Å; E616-D1731 WeakPolarHBondContact OE2-CB 3.21Å; S1692-D1731 VanDerWaalsContact C-OD2 3.28Å; S1692-D1731 VanDerWaalsContact CA-OD2 3.31Å; S1692-D1731 WeakPolarHBondContact CA-OD2 3.26Å; S1692-D1731 WeakPolarHBondContact CB-OD2 3.38Å; S1692-D1731 PolarHBondContact OG-OD2 2.88Å; G1693-D1731 PolarHBondContact N-OD2 2.77Å; W1729-D1731 WeakPolarHBondContact CB-OD1 3.28Å; D1731-K1733 VanDerWaalsContact O-CD 3.26Å; D1731-K1733 WeakPolarHBondContact O-CD 3.05Å; D1731-K1733 WeakPolarHBondContact O-CG 3.46Å; D1731-K1733 PolarHBondContact O-N 2.66Å
1732A82.6Confident86.1Confident20 Ų2057.4 Ų57.417%0.16530%0.301CS..  trans-66.296.7-17900000111.9T1691 W1729 S1730T1691-A1732 CarbonylContact O-C 3.55Å; T1691-A1732 WeakPolarHBondContact O-CA 3.45Å; W1729-A1732 WeakPolarHBondContact O-CB 2.97Å; S1730-A1732 PolarHBondContact O-N 3.39Å
1733K87.7Confident86.6Confident70 Ų7060.8 Ų60.830%0.30432%0.319SS..EExtended strand (participates in β ladder)trans-106.4140.7-175.1-65.4139-177.1157.80110.9E616 H1690 T1691 D1731 Y1735E616-K1733 IonicContact OE1-NZ 2.97Å; E616-K1733 PolarHBondContact OE1-NZ 3.38Å; E616-K1733 IonicContact OE2-NZ 2.7Å; E616-K1733 PolarHBondContact OE2-NZ 2.87Å; H1690-K1733 CarbonylContact C-O 3.19Å; H1690-K1733 WeakPolarHBondContact CA-O 3.46Å; T1691-K1733 PolarHBondContact N-O 2.91Å; T1691-K1733 PolarHBondContact O-N 2.98Å; D1731-K1733 VanDerWaalsContact O-CD 3.26Å; D1731-K1733 WeakPolarHBondContact O-CD 3.05Å; D1731-K1733 WeakPolarHBondContact O-CG 3.46Å; D1731-K1733 PolarHBondContact O-N 2.66Å; K1733-Y1735 HydrophobicContact CB-CE2 3.73Å
1734V88.9Confident86.6Confident29 Ų2960.7 Ų60.718%0.17631%0.314CS..EExtended strand (participates in β ladder)trans-128.9133.4177.1178.90000111.5L1687 H1690 P1715 Y1736L1687-V1734 HydrophobicContact CD1-CG1 3.39Å; H1690-V1734 HydrophobicContact CB-CG2 3.75Å; P1715-V1734 HydrophobicContact CG-CB 4.18Å; P1715-V1734 HydrophobicContact CG-CG1 3.84Å; P1715-V1734 HydrophobicContact CG-CG2 3.85Å; V1734-Y1736 HydrophobicContact CG1-CD2 4.39Å; V1734-Y1736 HydrophobicContact CG1-CE2 3.83Å
1735Y92.2Very high86.2Confident105 Ų10562.4 Ų62.441%0.41232%0.319SS..EExtended strand (participates in β ladder)trans-115.3123.6-168.5-58.1-107.3000109.9I1688 L1689 T1691 K1733I1688-Y1735 PolarHBondContact N-O 3.5Å; L1689-Y1735 HydrophobicContact CD1-CD2 3.66Å; L1689-Y1735 HydrophobicContact CD1-CE2 3.96Å; L1689-Y1735 HydrophobicContact CD1-CG 4.28Å; L1689-Y1735 HydrophobicContact CD2-CD2 4.18Å; L1689-Y1735 HydrophobicContact CD2-CG 3.98Å; L1689-Y1735 HydrophobicContact CG-CD2 3.62Å; L1689-Y1735 HydrophobicContact CG-CE2 4.42Å; L1689-Y1735 HydrophobicContact CG-CG 3.91Å; L1689-Y1735 PolarHBondContact N-O 3.03Å; L1689-Y1735 PolarHBondContact O-N 2.98Å; T1691-Y1735 HydrophobicContact CG2-CE2 4.13Å; K1733-Y1735 HydrophobicContact CB-CE2 3.73Å
1736Y93.2Very high85.8Confident34 Ų3466.5 Ų66.513%0.13334%0.337CS..EExtended strand (participates in β ladder)trans-110.6150.4176.7-64.7-91.2000110.4V1685 S1686 L1687 F1711 R1712 V1734 R1738 V1766V1685-Y1736 HydrophobicContact CB-CD1 4.24Å; V1685-Y1736 HydrophobicContact CB-CE1 4.3Å; V1685-Y1736 HydrophobicContact CG2-CD1 4.09Å; V1685-Y1736 HydrophobicContact CG2-CE1 3.64Å; S1686-Y1736 CarbonylContact O-C 3.52Å; S1686-Y1736 WeakPolarHBondContact O-CA 3.27Å; S1686-Y1736 WeakPolarHBondContact O-CB 3.12Å; L1687-Y1736 HydrophobicContact CB-CD1 4.36Å; L1687-Y1736 HydrophobicContact CB-CE1 4.23Å; L1687-Y1736 HydrophobicContact CD1-CE1 4.41Å; F1711-Y1736 HydrophobicContact CD2-CD1 4.46Å; F1711-Y1736 HydrophobicContact CD2-CD2 4.07Å; F1711-Y1736 HydrophobicContact CD2-CE1 4.16Å; F1711-Y1736 AromaticContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CE2 3.71Å; F1711-Y1736 HydrophobicContact CD2-CG 4.43Å; F1711-Y1736 AromaticContact CD2-CZ 3.76Å; F1711-Y1736 AromaticContact CE2-CD2 3.64Å; F1711-Y1736 HydrophobicContact CE2-CD2 3.64Å; F1711-Y1736 AromaticContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CE2 3.48Å; F1711-Y1736 VanDerWaalsContact CE2-CE2 3.48Å; F1711-Y1736 HydrophobicContact CE2-CG 4.3Å; F1711-Y1736 HydrophobicContact CZ-CE2 4.48Å; R1712-Y1736 PolarHBondContact N-OH 3.3Å; R1712-Y1736 PolarHBondContact O-OH 2.83Å; R1712-Y1736 VanDerWaalsContact O-OH 3.08Å; V1734-Y1736 HydrophobicContact CG1-CD2 4.39Å; V1734-Y1736 HydrophobicContact CG1-CE2 3.83Å; Y1736-R1738 PolarHBondContact O-N 3.13Å; Y1736-V1766 HydrophobicContact CD1-CG1 4.25Å; Y1736-V1766 HydrophobicContact CG-CG1 4.21Å
1737L93.9Very high85.5Confident29 Ų2974.4 Ų74.415%0.15237%0.372CS..PPolyproline II helixtrans-59.5131.1169-84.5171.5000109.1H1665 Q1667 S1686 I1688 L1701 S1767H1665-L1737 HydrophobicContact CB-CD1 3.91Å; Q1667-L1737 HydrophobicContact CG-CD1 4.43Å; S1686-L1737 PolarHBondContact O-N 2.9Å; I1688-L1737 HydrophobicContact CD1-CB 4.33Å; I1688-L1737 HydrophobicContact CD1-CD2 3.78Å; I1688-L1737 HydrophobicContact CD1-CG 3.74Å; I1688-L1737 HydrophobicContact CG1-CB 4.49Å; I1688-L1737 HydrophobicContact CG1-CD2 4.45Å; I1688-L1737 HydrophobicContact CG1-CG 3.89Å; L1701-L1737 HydrophobicContact CD1-CD1 4.18Å; L1701-L1737 HydrophobicContact CD2-CD1 3.89Å; L1701-L1737 HydrophobicContact CD2-CG 4.38Å; L1737-S1767 WeakPolarHBondContact O-CB 3.31Å; L1737-S1767 PolarHBondContact O-N 3.16Å
1738R90.5Very high85.2Confident103 Ų10378 Ų7839%0.38939%0.388SS..BIsolated β-bridgetrans-73.3139.6175.2175.8165.8165.5172.8-8.3110.7Y1736 V1751 N1765Y1736-R1738 PolarHBondContact O-N 3.13Å; R1738-V1751 PolarHBondContact NH1-O 3.37Å; R1738-V1751 PolarHBondContact NH2-O 2.8Å; R1738-N1765 CarbonylContact C-O 3.52Å; R1738-N1765 WeakPolarHBondContact CA-O 3.28Å
1739A89.4Confident85Confident9 Ų986.6 Ų86.67%0.07443%0.426CS..PPolyproline II helixtrans-72.7128.4164.900000109.6N1764 N1765A1739-N1764 WeakPolarHBondContact CB-O 2.93Å; A1739-N1765 PolarHBondContact N-O 2.98Å
1740L86.9Confident84.7Confident82 Ų8285.5 Ų85.543%0.42943%0.434SS..PPolyproline II helixtrans-95.2137.7174.5-56.6-179.5000109Q1667 P1742Q1667-L1740 PolarHBondContact O-N 3.45Å; L1740-P1742 WeakPolarHBondContact O-CD 3.07Å
1741N79.9Confident84.4Confident85 Ų8587.6 Ų87.646%0.45545%0.445SS..PPolyproline II helixtrans-74.6117.2172.4180-17.9000108.4N1743 I1744N1741-N1743 PolarHBondContact O-N 3.01Å; N1741-N1743 WeakPolarHBondContact OD1-CB 3.36Å; N1741-N1743 PolarHBondContact OD1-N 2.63Å; N1741-N1743 PolarHBondContact OD1-ND2 2.66Å; N1741-I1744 HydrophobicContact CB-CD1 4Å; N1741-I1744 HydrophobicContact CB-CG1 4.13Å; N1741-I1744 PolarHBondContact O-N 2.66Å
1742P77.7Confident84.3Confident121 Ų12189.5 Ų89.579%0.78647%0.471SS*.THydrogen-bonded Turntrans-67.3-5.6-174.628.8-36.8000114.3L1740L1740-P1742 WeakPolarHBondContact O-CD 3.07Å
1743N80Confident84.2Confident146 Ų14693 Ų9378%0.78148%0.482SS*.THydrogen-bonded Turntrans-89.3-9.3173.9-55-80000113.3N1741N1741-N1743 PolarHBondContact O-N 3.01Å; N1741-N1743 WeakPolarHBondContact OD1-CB 3.36Å; N1741-N1743 PolarHBondContact OD1-N 2.63Å; N1741-N1743 PolarHBondContact OD1-ND2 2.66Å
1744I74.8Confident84Confident92 Ų9295.5 Ų95.547%0.47250%0.503SS..SBendtrans-102.7139.7176.2-57.2-179.8000107.4N1741 E1748N1741-I1744 HydrophobicContact CB-CD1 4Å; N1741-I1744 HydrophobicContact CB-CG1 4.13Å; N1741-I1744 PolarHBondContact O-N 2.66Å; I1744-E1748 HydrophobicContact CG2-CB 3.93Å; I1744-E1748 HydrophobicContact CG2-CG 4.47Å
1745T72.1Confident83.4Confident68 Ų6897.6 Ų97.642%0.41751%0.512SS..  trans-71.9139176.868.60000110.3F1747 E1748T1745-F1747 PolarHBondContact O-N 3.27Å; T1745-E1748 WeakPolarHBondContact CB-OE1 3.24Å; T1745-E1748 WeakPolarHBondContact CG2-OE1 3.3Å; T1745-E1748 PolarHBondContact N-OE1 3.44Å; T1745-E1748 PolarHBondContact O-N 2.8Å; T1745-E1748 WeakPolarHBondContact OG1-CG 3.21Å; T1745-E1748 PolarHBondContact OG1-OE1 3.47Å
1746Q82.7Confident82.8Confident148 Ų14896.6 Ų96.669%0.69251%0.51SS*.THydrogen-bonded Turntrans-62.4-7.7-175.473.3-174.423.400115
1747F86Confident81.6Confident167 Ų16797 Ų9773%0.73252%0.52SS*.THydrogen-bonded Turntrans-110.75.5179.1-55.8-66.8000112.9T1745T1745-F1747 PolarHBondContact O-N 3.27Å
1748E84.6Confident79.7Confident106 Ų106100.4 Ų100.450%0.49555%0.553SS.*SBendtrans-72.8141.5165.5-85161.5-99.800110.3I1744 T1745 P1750I1744-E1748 HydrophobicContact CG2-CB 3.93Å; I1744-E1748 HydrophobicContact CG2-CG 4.47Å; T1745-E1748 WeakPolarHBondContact CB-OE1 3.24Å; T1745-E1748 WeakPolarHBondContact CG2-OE1 3.3Å; T1745-E1748 PolarHBondContact N-OE1 3.44Å; T1745-E1748 PolarHBondContact O-N 2.8Å; T1745-E1748 WeakPolarHBondContact OG1-CG 3.21Å; T1745-E1748 PolarHBondContact OG1-OE1 3.47Å; E1748-P1750 WeakPolarHBondContact O-CD 2.99Å; E1748-P1750 VanDerWaalsContact O-N 3.16Å
1749K84.7Confident77.9Confident194 Ų194101.8 Ų101.884%0.84356%0.563SS**PPolyproline II helixtrans-54.9121.6-179.5179.8176.1178.6175.70110V1751K1749-V1751 PolarHBondContact O-N 2.91Å
1750P80.5Confident76.4Confident97 Ų97102.6 Ų102.663%0.6357%0.572SS**PPolyproline II helixtrans-57.9125.6177.5-26.135000111.3E1748 G1752E1748-P1750 WeakPolarHBondContact O-CD 2.99Å; E1748-P1750 VanDerWaalsContact O-N 3.16Å; P1750-G1752 PolarHBondContact O-N 3.02Å
1751V80Confident75.7Confident106 Ų106100.1 Ų100.164%0.64256%0.562SS**PPolyproline II helixtrans-68.1121.1164.3-1780000107.2R1738 K1749 F1753R1738-V1751 PolarHBondContact NH1-O 3.37Å; R1738-V1751 PolarHBondContact NH2-O 2.8Å; K1749-V1751 PolarHBondContact O-N 2.91Å; V1751-F1753 WeakPolarHBondContact O-CD1 3.32Å
1752G81.7Confident75.8Confident68 Ų6896.7 Ų96.770%0.70154%0.544SS*.PPolyproline II helixtrans-79.7135.1167.600000109.8P1750P1750-G1752 PolarHBondContact O-N 3.02Å
1753F80.3Confident76.1Confident95 Ų9593.2 Ų93.242%0.41752%0.518SS..  trans-150.1149.7174.656.9-88.5000108.9V1751 M1755 N1765V1751-F1753 WeakPolarHBondContact O-CD1 3.32Å; F1753-M1755 HydrophobicContact CD2-CG 3.67Å; F1753-M1755 HydrophobicContact CD2-SD 4.47Å; F1753-M1755 HydrophobicContact CE2-CE 4.21Å; F1753-M1755 HydrophobicContact CE2-CG 3.45Å; F1753-M1755 VanDerWaalsContact CE2-CG 3.45Å; F1753-M1755 HydrophobicContact CE2-SD 3.67Å; F1753-M1755 HydrophobicContact CZ-SD 4.5Å; F1753-N1765 HydrophobicContact CZ-CB 4.45Å; F1753-N1765 WeakPolarHBondContact CZ-OD1 3.42Å
1754V83.3Confident76.3Confident122 Ų12288.8 Ų88.874%0.73950%0.495SS*.  trans-85.6145.1171.1179.80000108.2
1755M78Confident76.9Confident72 Ų7287 Ų8736%0.35549%0.486SS..  trans-119.1107.3174.6-73.9-174.5-78.400109.6F1753 V1762 N1765F1753-M1755 HydrophobicContact CD2-CG 3.67Å; F1753-M1755 HydrophobicContact CD2-SD 4.47Å; F1753-M1755 HydrophobicContact CE2-CE 4.21Å; F1753-M1755 HydrophobicContact CE2-CG 3.45Å; F1753-M1755 VanDerWaalsContact CE2-CG 3.45Å; F1753-M1755 HydrophobicContact CE2-SD 3.67Å; F1753-M1755 HydrophobicContact CZ-SD 4.5Å; M1755-V1762 HydrophobicContact CB-CG1 4.23Å; M1755-V1762 HydrophobicContact CB-CG2 3.92Å; M1755-V1762 HydrophobicContact CE-CG1 4.11Å; M1755-V1762 HydrophobicContact SD-CB 4.37Å; M1755-V1762 HydrophobicContact SD-CG1 3.87Å; M1755-N1765 HydrophobicContact CE-CB 3.87Å; M1755-N1765 HydrophobicContact SD-CB 3.41Å; M1755-N1765 WeakPolarHBondContact SD-CB 3.44Å; M1755-N1765 PolarHBondContact SD-ND2 2.64Å; M1755-N1765 VanDerWaalsContact SD-ND2 3.4Å
1756K78.4Confident77.8Confident84 Ų8484.1 Ų84.137%0.36547%0.468SS..  trans-86.7142.6168.2-57.6-179.6-168.4159.20109.1G239 A1758 E1759G239-K1756 WeakPolarHBondContact O-CE 3.48Å; G239-K1756 PolarHBondContact O-NZ 2.87Å; K1756-A1758 PolarHBondContact O-N 2.97Å; K1756-E1759 HydrophobicContact CB-CB 4.46Å; K1756-E1759 HydrophobicContact CB-CG 4.09Å; K1756-E1759 WeakPolarHBondContact CB-OE2 3.13Å; K1756-E1759 WeakPolarHBondContact CD-OE1 3.32Å; K1756-E1759 WeakPolarHBondContact CG-OE2 3.08Å; K1756-E1759 IonicContact NZ-OE1 2.69Å; K1756-E1759 PolarHBondContact O-N 3.19Å
1757A69.5Low78.3Confident44 Ų4477 Ų7736%0.36444%0.435SS..THydrogen-bonded Turntrans-56.9-26-17900000113.9L739 Y1713L739-A1757 VanDerWaalsContact CD2-O 3.22Å; L739-A1757 WeakPolarHBondContact CD2-O 3.17Å; Y1713-A1757 HydrophobicContact CE2-CB 4.1Å; Y1713-A1757 WeakPolarHBondContact OH-CB 3.3Å
1758A53.2Low78.7Confident100 Ų10071 Ų7183%0.82641%0.409SS*.THydrogen-bonded Turntrans-85.4-12.4179.300000114.6K1756K1756-A1758 PolarHBondContact O-N 2.97Å
1759E52.4Low79.2Confident131 Ų13166 Ų6661%0.61239%0.385SS*.SBendtrans-96-0.9-172.6-69.2171.4167.400113.1K1756K1756-E1759 HydrophobicContact CB-CB 4.46Å; K1756-E1759 HydrophobicContact CB-CG 4.09Å; K1756-E1759 WeakPolarHBondContact CB-OE2 3.13Å; K1756-E1759 WeakPolarHBondContact CD-OE1 3.32Å; K1756-E1759 WeakPolarHBondContact CG-OE2 3.08Å; K1756-E1759 IonicContact NZ-OE1 2.69Å; K1756-E1759 PolarHBondContact O-N 3.19Å
1760G58.9Low79.8Confident26 Ų2658.6 Ų58.627%0.26835%0.352SS..SBendtrans151.2178.2173.200000113.4V1762G1760-V1762 PolarHBondContact O-N 3.47Å
1761P70.8Confident80.6Confident31 Ų3154 Ų5420%0.20132%0.322CS..  trans-70.293178.830.6-36.9000110.6I740 L1763 N1764I740-P1761 HydrophobicContact CD1-CB 4.09Å; I740-P1761 HydrophobicContact CD1-CG 3.87Å; I740-P1761 HydrophobicContact CG1-CB 3.81Å; I740-P1761 HydrophobicContact CG1-CG 3.75Å; P1761-L1763 PolarHBondContact O-N 3.07Å; P1761-L1763 VanDerWaalsContact O-N 3.1Å; P1761-N1764 HydrophobicContact CG-CB 4.28Å; P1761-N1764 WeakPolarHBondContact O-CB 3.31Å; P1761-N1764 PolarHBondContact O-N 3.04Å
1762V83.1Confident81.4Confident13 Ų1348.9 Ų48.98%0.07929%0.291CS..G310 helixtrans-51.1-34.6172.1-179.10000111.2F1711 Y1713 M1755 G1760 N1764 N1765 V1766F1711-V1762 HydrophobicContact CE1-CG1 4.27Å; F1711-V1762 HydrophobicContact CZ-CG1 3.91Å; Y1713-V1762 HydrophobicContact CE1-CG1 4.29Å; Y1713-V1762 WeakPolarHBondContact OH-CG2 3.39Å; M1755-V1762 HydrophobicContact CB-CG1 4.23Å; M1755-V1762 HydrophobicContact CB-CG2 3.92Å; M1755-V1762 HydrophobicContact CE-CG1 4.11Å; M1755-V1762 HydrophobicContact SD-CB 4.37Å; M1755-V1762 HydrophobicContact SD-CG1 3.87Å; G1760-V1762 PolarHBondContact O-N 3.47Å; V1762-N1764 PolarHBondContact O-N 3.1Å; V1762-N1764 VanDerWaalsContact O-N 3.11Å; V1762-N1765 PolarHBondContact O-N 3.41Å; V1762-V1766 PolarHBondContact O-N 2.93Å
1763L83.8Confident82.1Confident47 Ų4746 Ų4625%0.24626%0.259CS..G310 helixtrans-49.5-27.2170-92.1156.6000115.6V1685 F1711 P1761 K1768V1685-L1763 HydrophobicContact CG1-CD2 3.73Å; F1711-L1763 HydrophobicContact CB-CD2 3.74Å; F1711-L1763 HydrophobicContact CB-CG 4.13Å; F1711-L1763 HydrophobicContact CD1-CG 4.44Å; F1711-L1763 HydrophobicContact CG-CD2 4.35Å; F1711-L1763 HydrophobicContact CG-CG 4.35Å; P1761-L1763 PolarHBondContact O-N 3.07Å; P1761-L1763 VanDerWaalsContact O-N 3.1Å; L1763-K1768 PolarHBondContact O-NZ 3.5Å
1764N84.4Confident82.6Confident54 Ų5446.6 Ų46.629%0.28926%0.262SS..G310 helixtrans-75.8-37.6177.3-74.922.3000111.7E1669 A1739 P1761 V1762 V1766E1669-N1764 HydrophobicContact CG-CB 4.17Å; E1669-N1764 VanDerWaalsContact CG-O 3.23Å; E1669-N1764 WeakPolarHBondContact CG-O 3.23Å; A1739-N1764 WeakPolarHBondContact CB-O 2.93Å; P1761-N1764 HydrophobicContact CG-CB 4.28Å; P1761-N1764 WeakPolarHBondContact O-CB 3.31Å; P1761-N1764 PolarHBondContact O-N 3.04Å; V1762-N1764 PolarHBondContact O-N 3.1Å; V1762-N1764 VanDerWaalsContact O-N 3.11Å; N1764-V1766 PolarHBondContact O-N 2.79Å
1765N87.3Confident82.8Confident53 Ų5345.1 Ų45.128%0.28325%0.249SC..SBendtrans-77.5-0.8175.7-68.8-69.5000113R1738 A1739 F1753 M1755 V1762R1738-N1765 CarbonylContact C-O 3.52Å; R1738-N1765 WeakPolarHBondContact CA-O 3.28Å; A1739-N1765 PolarHBondContact N-O 2.98Å; F1753-N1765 HydrophobicContact CZ-CB 4.45Å; F1753-N1765 WeakPolarHBondContact CZ-OD1 3.42Å; M1755-N1765 HydrophobicContact CE-CB 3.87Å; M1755-N1765 HydrophobicContact SD-CB 3.41Å; M1755-N1765 WeakPolarHBondContact SD-CB 3.44Å; M1755-N1765 PolarHBondContact SD-ND2 2.64Å; M1755-N1765 VanDerWaalsContact SD-ND2 3.4Å; V1762-N1765 PolarHBondContact O-N 3.41Å
1766V90Very high82.7Confident8 Ų845.2 Ų45.25%0.04826%0.255CS..BIsolated β-bridgetrans-102.4126.4175.2173.80000110.1V1685 F1711 Y1736 V1762 N1764 K1768V1685-V1766 HydrophobicContact CB-CG1 3.75Å; V1685-V1766 HydrophobicContact CG1-CG1 3.71Å; F1711-V1766 HydrophobicContact CD2-CG2 4.2Å; F1711-V1766 HydrophobicContact CE2-CG2 3.88Å; Y1736-V1766 HydrophobicContact CD1-CG1 4.25Å; Y1736-V1766 HydrophobicContact CG-CG1 4.21Å; V1762-V1766 PolarHBondContact O-N 2.93Å; N1764-V1766 PolarHBondContact O-N 2.79Å; V1766-K1768 PolarHBondContact O-N 3.28Å
1767S93.9Very high82.1Confident0 Ų049.6 Ų49.60%031%0.307CS..PPolyproline II helixtrans-56.4129.5175.6173.60000110.8Q1667 S1686 L1737Q1667-S1767 WeakPolarHBondContact CA-OG 3.47Å; Q1667-S1767 PolarHBondContact N-OG 2.83Å; S1686-S1767 VanDerWaalsContact CB-O 3.28Å; S1686-S1767 WeakPolarHBondContact CB-O 3.21Å; S1686-S1767 PolarHBondContact N-O 2.77Å; S1686-S1767 VanDerWaalsContact OG-C 3.29Å; S1686-S1767 WeakPolarHBondContact OG-CB 3.49Å; S1686-S1767 PolarHBondContact OG-O 3.05Å; S1686-S1767 PolarHBondContact OG-OG 3.22Å; L1737-S1767 WeakPolarHBondContact O-CB 3.31Å; L1737-S1767 PolarHBondContact O-N 3.16Å
1768K94.1Very high82.8Confident41 Ų4149.9 Ų49.918%0.17830%0.304CS..EExtended strand (participates in β ladder)trans-76.9159.1171-52-48.8-171.4-171.50110.7S1666 E1669 L1671 G1684 S1686 L1763 V1766S1666-K1768 PolarHBondContact N-O 2.86Å; S1666-K1768 PolarHBondContact OG-N 3.34Å; S1666-K1768 PolarHBondContact OG-O 3.22Å; S1666-K1768 VanDerWaalsContact OG-O 3.06Å; E1669-K1768 WeakPolarHBondContact O-CG 3.26Å; L1671-K1768 HydrophobicContact CB-CB 3.97Å; L1671-K1768 HydrophobicContact CD1-CB 3.93Å; L1671-K1768 HydrophobicContact CD2-CB 4.36Å; L1671-K1768 HydrophobicContact CG-CB 4.3Å; G1684-K1768 CarbonylContact O-C 3.47Å; G1684-K1768 WeakPolarHBondContact O-CA 3.16Å; S1686-K1768 PolarHBondContact OG-O 3.35Å; S1686-K1768 VanDerWaalsContact OG-O 3.13Å; L1763-K1768 PolarHBondContact O-NZ 3.5Å; V1766-K1768 PolarHBondContact O-N 3.28Å
1769C96Very high84.3Confident0 Ų047.3 Ų47.30%028%0.277CS..EExtended strand (participates in β ladder)trans-139.8158.4174.864.10000111.5F1664 H1665 L1671 T1683 G1684 V1685 C1707F1664-C1769 CarbonylContact O-C 3.48Å; F1664-C1769 WeakPolarHBondContact O-CA 3.44Å; H1665-C1769 WeakPolarHBondContact ND1-CB 3.47Å; L1671-C1769 WeakPolarHBondContact CD2-O 3.43Å; T1683-C1769 CarbonylContact C-O 3.56Å; T1683-C1769 WeakPolarHBondContact CA-O 3.4Å; G1684-C1769 PolarHBondContact N-O 2.89Å; G1684-C1769 PolarHBondContact O-N 3.19Å; G1684-C1769 PolarHBondContact O-SG 3.37Å; V1685-C1769 PolarHBondContact N-SG 3.1Å; V1685-C1769 PolarHBondContact O-SG 2.97Å; V1685-C1769 VanDerWaalsContact O-SG 3.36Å; C1707-C1769 WeakPolarHBondContact CA-SG 3.36Å; C1707-C1769 HydrophobicContact CB-CB 3.83Å; C1707-C1769 WeakPolarHBondContact CB-SG 3.08Å; C1707-C1769 WeakPolarHBondContact SG-CB 3.26Å; C1707-C1769 CovalentContact SG-SG 2.03Å; C1707-C1769 PolarHBondContact SG-SG 3.36Å
1770R96.6Very high86.1Confident38 Ų3842.6 Ų42.614%0.14326%0.258CS..EExtended strand (participates in β ladder)trans-133.5131.1174.1-164.1171.7-56-137.64108.7F1664 L1671 Q1672 C1674 E1680 T1683F1664-R1770 PolarHBondContact N-O 2.86Å; F1664-R1770 PolarHBondContact O-N 2.93Å; L1671-R1770 HydrophobicContact CD1-CB 4.08Å; L1671-R1770 HydrophobicContact CD2-CB 4.05Å; L1671-R1770 HydrophobicContact CG-CB 4.26Å; L1671-R1770 PolarHBondContact O-NH2 3.47Å; Q1672-R1770 VanDerWaalsContact O-CZ 3.24Å; Q1672-R1770 PolarHBondContact O-NE 3.23Å; Q1672-R1770 PolarHBondContact O-NH2 2.69Å; Q1672-R1770 VanDerWaalsContact O-NH2 3.11Å; C1674-R1770 WeakPolarHBondContact SG-CD 3.27Å; E1680-R1770 HydrophobicContact CG-CG 3.91Å; E1680-R1770 IonicContact OE1-NH1 3.2Å; E1680-R1770 WeakPolarHBondContact OE2-CD 3.42Å; E1680-R1770 IonicContact OE2-CZ 3.97Å; E1680-R1770 IonicContact OE2-NE 3.22Å; E1680-R1770 IonicContact OE2-NH1 3.8Å; E1680-R1770 PolarHBondContact OE2-NH1 2.72Å; T1683-R1770 HydrophobicContact CG2-CG 4.02Å
1771V97.3Very high87.7Confident0 Ų043.6 Ų43.60%026%0.257CS..EExtended strand (participates in β ladder)trans-93.4125.5169.7-179.50000108.7V1661 F1662 A1663 L1681 W1682 P1704 C1707V1661-V1771 HydrophobicContact CG1-CG1 3.31Å; F1662-V1771 WeakPolarHBondContact O-CA 3.39Å; A1663-V1771 HydrophobicContact CB-CG2 4.32Å; L1681-V1771 HydrophobicContact CB-CG1 4.41Å; L1681-V1771 HydrophobicContact CD1-CG1 4.35Å; L1681-V1771 PolarHBondContact N-O 3.12Å; W1682-V1771 HydrophobicContact CD2-CB 3.79Å; W1682-V1771 HydrophobicContact CD2-CG1 4.35Å; W1682-V1771 HydrophobicContact CD2-CG2 3.98Å; W1682-V1771 VanDerWaalsContact CE2-CG2 3.41Å; W1682-V1771 HydrophobicContact CE3-CB 4.04Å; W1682-V1771 HydrophobicContact CE3-CG1 4.15Å; W1682-V1771 HydrophobicContact CG-CB 4.32Å; W1682-V1771 HydrophobicContact CG-CG2 4.45Å; W1682-V1771 HydrophobicContact CH2-CB 4.23Å; W1682-V1771 HydrophobicContact CH2-CG1 3.83Å; W1682-V1771 HydrophobicContact CH2-CG2 4.24Å; W1682-V1771 HydrophobicContact CZ2-CB 4.01Å; W1682-V1771 HydrophobicContact CZ2-CG1 4.05Å; W1682-V1771 HydrophobicContact CZ2-CG2 3.59Å; W1682-V1771 HydrophobicContact CZ3-CB 4.22Å; W1682-V1771 HydrophobicContact CZ3-CG1 3.85Å; W1682-V1771 PolarHBondContact O-N 2.66Å; P1704-V1771 HydrophobicContact CB-CG1 4.1Å; P1704-V1771 HydrophobicContact CB-CG2 4.32Å; P1704-V1771 HydrophobicContact CG-CG1 4.22Å; C1707-V1771 HydrophobicContact CB-CG2 3.49Å; C1707-V1771 VanDerWaalsContact CB-CG2 3.49Å
1772C96.6Very high88.8Confident0 Ų044.4 Ų44.40%026%0.261CS..EExtended strand (participates in β ladder)trans-123.6137.2-175.2-55.70000110V1661 F1662 F1664 C1674 W1678 T1679V1661-C1772 WeakPolarHBondContact CA-O 3.42Å; F1662-C1772 PolarHBondContact N-O 2.76Å; F1662-C1772 PolarHBondContact O-N 3.12Å; F1664-C1772 HydrophobicContact CD2-CB 3.96Å; F1664-C1772 HydrophobicContact CE2-CB 3.85Å; C1674-C1772 VanDerWaalsContact CA-SG 3.52Å; C1674-C1772 HydrophobicContact CB-CB 3.85Å; C1674-C1772 WeakPolarHBondContact CB-SG 3.3Å; C1674-C1772 WeakPolarHBondContact SG-CB 3.27Å; C1674-C1772 CovalentContact SG-SG 2.04Å; C1674-C1772 PolarHBondContact SG-SG 3.44Å; W1678-C1772 HydrophobicContact CB-CB 4.14Å; W1678-C1772 HydrophobicContact CE3-CB 3.97Å; T1679-C1772 CarbonylContact O-C 3.51Å; T1679-C1772 VanDerWaalsContact O-CA 3.24Å; T1679-C1772 WeakPolarHBondContact O-CA 3.09Å
1773M95.2Very high89.1Confident7 Ų746.5 Ų46.53%0.03427%0.273CS..EExtended strand (participates in β ladder)trans-105.2134.4170.7179.8174.767.500110T1570 A1657 P1658 A1659 H1660 V1661 W1678 T1679 L1681 I1775T1570-M1773 HydrophobicContact CG2-CE 4.13Å; T1570-M1773 HydrophobicContact CG2-SD 3.72Å; A1657-M1773 HydrophobicContact CB-SD 3.76Å; P1658-M1773 HydrophobicContact CG-CE 4.38Å; P1658-M1773 HydrophobicContact CG-SD 4.2Å; A1659-M1773 HydrophobicContact CB-CG 4.35Å; H1660-M1773 WeakPolarHBondContact O-CA 3.15Å; V1661-M1773 HydrophobicContact CG2-CB 4.11Å; V1661-M1773 HydrophobicContact CG2-CG 4.05Å; V1661-M1773 HydrophobicContact CG2-SD 4.39Å; W1678-M1773 CarbonylContact C-O 3.55Å; W1678-M1773 VanDerWaalsContact CA-O 3.25Å; W1678-M1773 WeakPolarHBondContact CA-O 3.18Å; T1679-M1773 HydrophobicContact CG2-CB 4.03Å; T1679-M1773 HydrophobicContact CG2-CE 3.82Å; T1679-M1773 PolarHBondContact N-O 2.64Å; T1679-M1773 PolarHBondContact O-N 2.99Å; L1681-M1773 HydrophobicContact CD1-CB 4.09Å; L1681-M1773 HydrophobicContact CD2-CB 3.79Å; L1681-M1773 HydrophobicContact CD2-CE 4.22Å; L1681-M1773 HydrophobicContact CG-CB 3.99Å; M1773-I1775 PolarHBondContact O-N 2.69Å
1774K91.9Very high89.5Confident108 Ų10846.4 Ų46.447%0.4728%0.275SS..EExtended strand (participates in β ladder)trans-65.9130.8176.4-171.4176.3177.5-179.50109.3A1659 H1660 W1678 P1776A1659-K1774 HydrophobicContact CB-CB 4.21Å; A1659-K1774 WeakPolarHBondContact CB-O 3.49Å; H1660-K1774 PolarHBondContact O-N 2.64Å; W1678-K1774 HydrophobicContact CD2-CB 3.88Å; W1678-K1774 HydrophobicContact CD2-CG 4.35Å; W1678-K1774 HydrophobicContact CE3-CB 3.84Å; W1678-K1774 HydrophobicContact CH2-CB 3.86Å; W1678-K1774 HydrophobicContact CZ2-CB 3.93Å; W1678-K1774 HydrophobicContact CZ2-CD 4.13Å; W1678-K1774 HydrophobicContact CZ2-CG 4.14Å; W1678-K1774 HydrophobicContact CZ3-CB 3.82Å; K1774-P1776 WeakPolarHBondContact O-CD 3.35Å
1775I87.5Confident89.9Confident90 Ų9045.8 Ų45.846%0.46227%0.274SS..PPolyproline II helixtrans-70.9125.9177.9-60.1170.2000108T1677 M1773T1677-I1775 WeakPolarHBondContact O-CB 3.42Å; T1677-I1775 PolarHBondContact O-N 2.74Å; M1773-I1775 PolarHBondContact O-N 2.69Å
1776P76.6Confident90.1Very high74 Ų7445.3 Ų45.348%0.48127%0.273SS..PPolyproline II helixtrans-59139.5172.4-23.534.5000111.4P1658 A1659 K1774P1658-P1776 HydrophobicContact CB-CG 4Å; P1658-P1776 HydrophobicContact CG-CG 3.97Å; A1659-P1776 HydrophobicContact CB-CG 4.38Å; K1774-P1776 WeakPolarHBondContact O-CD 3.35Å
1777A65.8Low90.1Very high177 Ų17748.6 Ų48.6100%1.46329%0.294SS*.  trans-89.30-170.900000114.2

Retrieved 1,777 of 1,777 residues in 764 ms (Link to these results)