A0A5K4FCB0_SCHMA Loading...

AAA domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4FCB0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,023 aa.

>A0A5K4FCB0_SCHMA|A0A5K4FCB0
MQMIQNAYKDDEAERCFEIIQKGVNLCIEKGIFTLDEMEPYLESDIERYTKLIEKDPDLAKNSLLIERHIQGLNNIHSINNLKEIYNMTKTIHNKHILFDDLIDSIEINKSSINNIDQLIPNPKSINHCYNIINNKLKKLIHKEQIMKFIIPIHILNYFTNLSLKINDIYTKLDTEKLLLTKIRLKMKQSNHTTNNHTTNNHTTHNNNNITYIDYLIIFIKQIIKLIKNFIKNLFNKQIKFYNNQLQLTNEIEAETHYNLLMYPTNELNIQSEHHYNHYIIDNDNNNNDNNNNNNESNYNWNDQSMNELYHREISIIKNYLTSNSKLPGLIYGPPGCGKTSLLRWTVNYFKHIHSKSETNNQVVSNSTNLTTSQSNIEPIIIICCIGRTFLSTSLQSVLIQIIEQLIMKFNINNQNIKSLCEYAEAVRLLNTMLSYANPLKPILILIDDIEYLYPDEHVQMFQWLPIELPNHYIRLLITTNSEKIIKGFNKHFGDGCCINLLSYLQIHNNLNGILFKSIEKNYNKIYTTNKEKSSINFQSNNISEELTKLNIQKNITPNYIKLLADILTTKYTTQIHINSPNHYPNDLINLFQLRLKQIYTILKQENLLIIELLRFMPYIACSRYGLTFNELIHILQNDLNIIKIRKQLNQLNSIQSFPIGCLLKLIYSSIYNIKNYLLFIYTDNRLLITFNCESYRYNNEQDDYEQHTKQIDHSYEIRTNTTTNNNNIEHNEDSFHTMYYWLSMNKSIKLNTDIVIGTYNKHYICNARRLTELPYQLLQLGSDNVQDLLKHVIFSYDFILGKLLLGLRPNDVITEFYYLRQLNQLRTNDEIMYLLNLLRNLSSKLSIAPTLLNVELAGRIGHLISTDYAYIGRQLLNSIDCDSNKVNCLLPLLPICYTPPLQPELLNVKYKNNETGFCSLINDVKKQEMKEIITISSDSRFLFTLTWSRMNQSNIESCLNKNEVIINMWEVNSLTKSCSFSLGEWLNYIFHQAYMPVHQNQLVLLTYSTNDLDNKKSGILAVNLELGCVEGNLSVTYPIQLKILCITRSSILIKQCEPKGNNEKHTTSQDYATVYSIPNLKPISGVLSKVPLPFYILPNDRICFGPSRWPIQIKTSVEKKRKQQNSQDELKEINNNSVQVRLKNTLNDVLAWIKCPLAPAIFQANIRGENLLIGCKSLGQIYRFDLTLISNKEIRTIKPNFELNLYKNIKNIQIKSLSEVSLEKKNNIPFLWDSETMNILDQVRHQVSVKKLWISPDEKYLAALYNVNDYRLIIGIWQINSRLLIAGLQGYHNSQIRFGNDSTSSFLIHFIKSSIHKTWVELIEFNAVQSTQMTSNITMSRPITNTNKSSTNILIKIHRIDAFKTAIDEAYFIRGGSLIVVTNGSIILTSINVLILGSKNQGPMALIPIGKKLSTVNYHSELDIVYSTEIGNQQLFSYYNLLTQKVISVECMKPDIQDSFMNNFETNFLMTSIFEDTPCERHLSSDGKRLALVYRVKSIINDNKDDNSKENNYTELNNEKAEYRKPKLPNINYYTSLREKNNDTSNMGYDQTVIRLYDLDNKIGGTGLRCQISIIGEFIFHMSTKYGIYTLKPDHASNTKLSSLTDLHKNYSTKDIQNNTSTNKIDVKPQALLSRYGSTNGRFLGYSFLQHPVIKGTQIIYNDRYLVLCCGEYGQWIRMLEAPDFKKLIYEVNLHKLLKEHDDYCRTPSVQRLFTCEVQPTKVIIQYIWLEQENSTLNITVLDLKNKQNNELIISQMSIVDKLIDVSSDGAYGIDANLRLINFQNGSILALLNSSNLIPGTQNDPIVLCAQFTPDKLYIVSVIYSLEYHNAWLVIIHNNQIHNNYPVIGRALLTPIDEVKPTSLESSELPSIKIQLGYNGRLIIVKLDTFKEFKLFTIRKQTKYPSIIHSNVNDRIKYLLPINMTTADEQNSWSNKQKRAKYLDELFTRFAESLSVNNNTRDGTNIDDNNDDDFINDDDDHHRNEMDSNEELIDLSKFGLDLNYNNSSLLDHIYNKIDNISV
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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
1M21.2Very low30.5Very low191 Ų191123.9 Ų123.994%0.94161%0.612SS**  0-82.80-69.3-49.2-174.900112.6M3 I4 Q5M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.18Å; M1-M3 VanDerWaalsContact O-N 3.09Å; M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.16Å; M1-Q5 PolarHBondContact O-N 2.92Å
2Q25.7Very low31Very low155 Ų155122.8 Ų122.872%0.72460%0.604SS**Hα-helixtrans-49.4-41.2-173.5-86.5177-26.400115.7I4 Q5 N6Q2-I4 PolarHBondContact O-N 3.18Å; Q2-Q5 PolarHBondContact O-N 3.43Å; Q2-N6 PolarHBondContact O-N 3.1Å; Q2-N6 VanDerWaalsContact O-N 3.11Å
3M24.3Very low31.6Very low166 Ų166115.8 Ų115.882%0.81858%0.578SS**Hα-helixtrans-58.3-30.7175-89.6-176.4161.100114.4M1 A7M1-M3 VanDerWaalsContact C-N 3.32Å; M1-M3 PolarHBondContact O-N 3.18Å; M1-M3 VanDerWaalsContact O-N 3.09Å; M3-A7 PolarHBondContact O-N 3.14Å
4I30.1Very low32.2Very low108 Ų108117.3 Ų117.355%0.55458%0.582SS**Hα-helixtrans-79.1-34.8-179.9-58.9174.2000110.5M1 Q2 N6 A7 Y8M1-I4 WeakPolarHBondContact O-CB 3.43Å; M1-I4 PolarHBondContact O-N 3.16Å; Q2-I4 PolarHBondContact O-N 3.18Å; I4-N6 VanDerWaalsContact C-N 3.28Å; I4-N6 PolarHBondContact O-N 2.6Å; I4-A7 PolarHBondContact O-N 2.79Å; I4-Y8 PolarHBondContact O-N 3.49Å
5Q26.9Very low32.7Very low133 Ų133120.6 Ų120.662%0.62159%0.586SS**Hα-helixtrans-64.2-34.1170.5-76.4-178.8-49.600112.1M1 Q2M1-Q5 PolarHBondContact O-N 2.92Å; Q2-Q5 PolarHBondContact O-N 3.43Å
6N33.9Very low33.2Very low101 Ų101115.5 Ų115.554%0.5457%0.565SS.*Hα-helixtrans-71-37.4176.8-71.31.1000112.5Q2 I4 K9 D10Q2-N6 PolarHBondContact O-N 3.1Å; Q2-N6 VanDerWaalsContact O-N 3.11Å; I4-N6 VanDerWaalsContact C-N 3.28Å; I4-N6 PolarHBondContact O-N 2.6Å; N6-K9 PolarHBondContact O-N 2.87Å; N6-D10 PolarHBondContact O-N 3.26Å
7A31.2Very low33.6Very low49 Ų49116.5 Ų116.541%0.40557%0.567SS.*Hα-helixtrans-61.1-45.4175.600000111.9M3 I4 K9 D10 D11M3-A7 PolarHBondContact O-N 3.14Å; I4-A7 PolarHBondContact O-N 2.79Å; A7-K9 PolarHBondContact O-N 2.99Å; A7-K9 VanDerWaalsContact O-N 3.12Å; A7-D10 PolarHBondContact O-N 3.32Å; A7-D10 VanDerWaalsContact O-N 3.13Å; A7-D11 PolarHBondContact O-N 3.2Å; A7-D11 VanDerWaalsContact O-N 3.08Å
8Y31.1Very low34.1Very low159 Ų159115.6 Ų115.662%0.62456%0.561SS**Hα-helixtrans-57.1-27.6176.2-105.9-90.6000114I4 E12I4-Y8 PolarHBondContact O-N 3.49Å; Y8-E12 PolarHBondContact O-N 2.78Å
9K35.3Very low34.5Very low105 Ų105114.5 Ų114.546%0.45756%0.557SS.*Hα-helixtrans-78-35.8177.5-69.8-169.6179.8-166.90113.5N6 A7 A13 D56N6-K9 PolarHBondContact O-N 2.87Å; A7-K9 PolarHBondContact O-N 2.99Å; A7-K9 VanDerWaalsContact O-N 3.12Å; K9-A13 PolarHBondContact O-N 2.84Å; K9-D56 IonicContact NZ-OD2 3.72Å; K9-D56 PolarHBondContact NZ-OD2 2.89Å
10D38.6Very low34.7Very low106 Ų106113.4 Ų113.457%0.56755%0.553SS**Hα-helixtrans-69.8-42.6174.8-73.2-21.4000109.5N6 A7 E12 A13 E14N6-D10 PolarHBondContact O-N 3.26Å; A7-D10 PolarHBondContact O-N 3.32Å; A7-D10 VanDerWaalsContact O-N 3.13Å; D10-E12 PolarHBondContact O-N 3.01Å; D10-A13 PolarHBondContact O-N 3.16Å; D10-E14 PolarHBondContact O-N 3.22Å
11D37.4Very low35Very low90 Ų90112.6 Ų112.648%0.48155%0.548SS..Hα-helixtrans-60.5-38.4175.7-70.8-5.4000113A7 R15A7-D11 PolarHBondContact O-N 3.2Å; A7-D11 VanDerWaalsContact O-N 3.08Å; D11-R15 VanDerWaalsContact O-CB 3.27Å; D11-R15 WeakPolarHBondContact O-CB 3.36Å; D11-R15 WeakPolarHBondContact O-CG 3.25Å; D11-R15 PolarHBondContact O-N 2.82Å
12E36.4Very low36.1Very low110 Ų110108.9 Ų108.951%0.51453%0.526SS..Hα-helixtrans-69.3-36.5175.1-82.3-169.4149.600112.6Y8 D10 C16Y8-E12 PolarHBondContact O-N 2.78Å; D10-E12 PolarHBondContact O-N 3.01Å; E12-C16 PolarHBondContact O-N 3.32Å; E12-C16 PolarHBondContact O-SG 2.99Å
13A39.1Very low36.9Very low33 Ų33103 Ų10327%0.27351%0.508SS..Hα-helixtrans-69.6-42.4176.600000112K9 D10 C16 F17 L59K9-A13 PolarHBondContact O-N 2.84Å; D10-A13 PolarHBondContact O-N 3.16Å; A13-C16 PolarHBondContact O-N 2.93Å; A13-F17 PolarHBondContact O-N 3.15Å; A13-F17 VanDerWaalsContact O-N 3.09Å; A13-L59 HydrophobicContact CB-CD2 4.22Å
14E39.6Very low37.8Very low136 Ų13698.6 Ų98.664%0.63649%0.49SS*.Hα-helixtrans-67.4-36.9175.7-161.7158.6-124.900110.9D10 F17 E18D10-E14 PolarHBondContact O-N 3.22Å; E14-F17 PolarHBondContact O-N 2.74Å; E14-E18 PolarHBondContact O-N 3.4Å
15R40.6Very low38.5Very low167 Ų16797 Ų9763%0.6348%0.482SS*.Hα-helixtrans-61.5-44168-85.6179.1167.8178.5-1.8113.6D11 F17 E18 I19D11-R15 VanDerWaalsContact O-CB 3.27Å; D11-R15 WeakPolarHBondContact O-CB 3.36Å; D11-R15 WeakPolarHBondContact O-CG 3.25Å; D11-R15 PolarHBondContact O-N 2.82Å; R15-F17 VanDerWaalsContact C-N 3.28Å; R15-F17 PolarHBondContact O-N 3.34Å; R15-E18 PolarHBondContact O-N 3.21Å; R15-I19 HydrophobicContact CB-CD1 4.39Å; R15-I19 VanDerWaalsContact O-CB 3.27Å; R15-I19 WeakPolarHBondContact O-CB 3.13Å; R15-I19 WeakPolarHBondContact O-CD1 3.49Å; R15-I19 WeakPolarHBondContact O-CG1 3.39Å; R15-I19 PolarHBondContact O-N 2.83Å
16C39.9Very low39.2Very low39 Ų3994.9 Ų94.926%0.26448%0.475SS..Hα-helixtrans-59.5-43.1177.3-70.70000110.6E12 A13 I19 I20 Y49E12-C16 PolarHBondContact O-N 3.32Å; E12-C16 PolarHBondContact O-SG 2.99Å; A13-C16 PolarHBondContact O-N 2.93Å; C16-I19 PolarHBondContact O-N 3.39Å; C16-I20 WeakPolarHBondContact O-CB 3.49Å; C16-I20 WeakPolarHBondContact O-CD1 3.24Å; C16-I20 VanDerWaalsContact O-CG1 3.22Å; C16-I20 WeakPolarHBondContact O-CG1 3.41Å; C16-I20 PolarHBondContact O-N 3.35Å; C16-Y49 HydrophobicContact CB-CD2 4.37Å; C16-Y49 HydrophobicContact CB-CE2 4.35Å
17F40.2Very low39.5Very low133 Ų13391.3 Ų91.358%0.58346%0.458SS*.Hα-helixtrans-65-47.5175.9-174.3-98.9000112.4A13 E14 R15 I19 I20 Q21A13-F17 PolarHBondContact O-N 3.15Å; A13-F17 VanDerWaalsContact O-N 3.09Å; E14-F17 PolarHBondContact O-N 2.74Å; R15-F17 VanDerWaalsContact C-N 3.28Å; R15-F17 PolarHBondContact O-N 3.34Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.43Å; F17-I20 PolarHBondContact O-N 2.97Å; F17-Q21 VanDerWaalsContact CE1-OE1 3.24Å; F17-Q21 WeakPolarHBondContact O-CB 3.48Å; F17-Q21 PolarHBondContact O-N 2.96Å
18E42.8Very low39.9Very low100 Ų10094 Ų9447%0.46746%0.464SS..Hα-helixtrans-59.3-39.6174.4-86.9-153.517400112.9E14 R15 Q21 K22E14-E18 PolarHBondContact O-N 3.4Å; R15-E18 PolarHBondContact O-N 3.21Å; E18-Q21 PolarHBondContact O-N 3.17Å; E18-K22 WeakPolarHBondContact O-CB 3.47Å; E18-K22 WeakPolarHBondContact O-CD 3.49Å; E18-K22 WeakPolarHBondContact O-CG 3.41Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 IonicContact OE2-NZ 2.69Å; E18-K22 PolarHBondContact OE2-NZ 3.11Å
19I40.5Very low40.3Very low95 Ų9593.9 Ų93.949%0.48747%0.469SS..Hα-helixtrans-72.5-42.8-178.1-70.9165.3000110.3R15 C16 F17 Q21 K22 G23R15-I19 HydrophobicContact CB-CD1 4.39Å; R15-I19 VanDerWaalsContact O-CB 3.27Å; R15-I19 WeakPolarHBondContact O-CB 3.13Å; R15-I19 WeakPolarHBondContact O-CD1 3.49Å; R15-I19 WeakPolarHBondContact O-CG1 3.39Å; R15-I19 PolarHBondContact O-N 2.83Å; C16-I19 PolarHBondContact O-N 3.39Å; F17-I19 VanDerWaalsContact C-N 3.32Å; F17-I19 PolarHBondContact O-N 3.43Å; I19-Q21 VanDerWaalsContact C-N 3.32Å; I19-Q21 PolarHBondContact O-N 3.38Å; I19-K22 PolarHBondContact O-N 3.14Å; I19-G23 PolarHBondContact O-N 3.32Å
20I40.2Very low40.4Very low91 Ų9196.1 Ų96.147%0.46748%0.479SS..Hα-helixtrans-59.2-46171.9-70.3165000109.9C16 F17 G23 V24C16-I20 WeakPolarHBondContact O-CB 3.49Å; C16-I20 WeakPolarHBondContact O-CD1 3.24Å; C16-I20 VanDerWaalsContact O-CG1 3.22Å; C16-I20 WeakPolarHBondContact O-CG1 3.41Å; C16-I20 PolarHBondContact O-N 3.35Å; F17-I20 PolarHBondContact O-N 2.97Å; I20-G23 PolarHBondContact O-N 3.46Å; I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.37Å; I20-V24 PolarHBondContact O-N 3.42Å
21Q40.3Very low39.9Very low97 Ų9793 Ų9345%0.45347%0.472SS..Hα-helixtrans-70.3-34.1-180-165.41628.300112.6F17 E18 I19 N25F17-Q21 VanDerWaalsContact CE1-OE1 3.24Å; F17-Q21 WeakPolarHBondContact O-CB 3.48Å; F17-Q21 PolarHBondContact O-N 2.96Å; E18-Q21 PolarHBondContact O-N 3.17Å; I19-Q21 VanDerWaalsContact C-N 3.32Å; I19-Q21 PolarHBondContact O-N 3.38Å; Q21-N25 VanDerWaalsContact O-CB 3.22Å; Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 PolarHBondContact O-N 3.25Å; Q21-N25 PolarHBondContact O-OD1 3.38Å
22K44.2Very low39.8Very low113 Ų11391.4 Ų91.449%0.49146%0.463SS..Hα-helixtrans-67.8-38.4170.7-79.4164.3178.7161.20112.2E18 I19 N25 L26E18-K22 WeakPolarHBondContact O-CB 3.47Å; E18-K22 WeakPolarHBondContact O-CD 3.49Å; E18-K22 WeakPolarHBondContact O-CG 3.41Å; E18-K22 PolarHBondContact O-N 2.89Å; E18-K22 IonicContact OE2-NZ 2.69Å; E18-K22 PolarHBondContact OE2-NZ 3.11Å; I19-K22 PolarHBondContact O-N 3.14Å; K22-N25 PolarHBondContact O-N 3.43Å; K22-L26 VanDerWaalsContact O-CB 3.28Å; K22-L26 WeakPolarHBondContact O-CB 3.21Å; K22-L26 VanDerWaalsContact O-CG 3.28Å; K22-L26 WeakPolarHBondContact O-CG 3.32Å; K22-L26 PolarHBondContact O-N 3Å
23G43.3Very low40Very low32 Ų3293.9 Ų93.933%0.3347%0.472SS..Hα-helixtrans-64.7-47.217500000111.9I19 I20 L26 C27I19-G23 PolarHBondContact O-N 3.32Å; I20-G23 PolarHBondContact O-N 3.46Å; G23-L26 PolarHBondContact O-N 3.12Å; G23-C27 PolarHBondContact O-N 3.01Å; G23-C27 PolarHBondContact O-SG 2.95Å
24V43Very low39.9Very low74 Ų7495.7 Ų95.745%0.44848%0.48SS..Hα-helixtrans-60.8-45.9173.31700000111.2I20 L26 C27 I28I20-V24 WeakPolarHBondContact O-CB 3.49Å; I20-V24 WeakPolarHBondContact O-CG2 3.37Å; I20-V24 PolarHBondContact O-N 3.42Å; V24-L26 PolarHBondContact O-N 3.46Å; V24-C27 PolarHBondContact O-N 2.87Å; V24-I28 HydrophobicContact CG1-CD1 3.84Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 2.98Å
25N43.7Very low39.7Very low73 Ų7395.4 Ų95.439%0.3948%0.482SS..Hα-helixtrans-63.7-39.8177-72.5-1.1000112.1Q21 K22 C27 I28 E29Q21-N25 VanDerWaalsContact O-CB 3.22Å; Q21-N25 WeakPolarHBondContact O-CB 3.48Å; Q21-N25 PolarHBondContact O-N 3.25Å; Q21-N25 PolarHBondContact O-OD1 3.38Å; K22-N25 PolarHBondContact O-N 3.43Å; N25-C27 VanDerWaalsContact C-N 3.34Å; N25-C27 PolarHBondContact O-N 3.47Å; N25-I28 CarbonylContact O-C 3.57Å; N25-I28 WeakPolarHBondContact O-CB 3.49Å; N25-I28 PolarHBondContact O-N 3.37Å; N25-I28 VanDerWaalsContact O-N 3.17Å; N25-E29 WeakPolarHBondContact O-CB 3.43Å; N25-E29 WeakPolarHBondContact O-CG 3.02Å; N25-E29 PolarHBondContact O-N 3.44Å
26L42.3Very low39.7Very low90 Ų9093.7 Ų93.747%0.47149%0.485SS..Hα-helixtrans-64.2-36175.6-83165.5000112.6K22 G23 V24 K30K22-L26 VanDerWaalsContact O-CB 3.28Å; K22-L26 WeakPolarHBondContact O-CB 3.21Å; K22-L26 VanDerWaalsContact O-CG 3.28Å; K22-L26 WeakPolarHBondContact O-CG 3.32Å; K22-L26 PolarHBondContact O-N 3Å; G23-L26 PolarHBondContact O-N 3.12Å; V24-L26 PolarHBondContact O-N 3.46Å; L26-K30 VanDerWaalsContact O-CB 3.32Å; L26-K30 WeakPolarHBondContact O-CB 3.48Å; L26-K30 WeakPolarHBondContact O-CG 3.35Å; L26-K30 PolarHBondContact O-N 3.12Å
27C39.7Very low39.6Very low26 Ų2696.7 Ų96.718%0.17650%0.496CS..Hα-helixtrans-66.4-39.5172.9-62.60000111.4G23 V24 N25 G31 I32 M38G23-C27 PolarHBondContact O-N 3.01Å; G23-C27 PolarHBondContact O-SG 2.95Å; V24-C27 PolarHBondContact O-N 2.87Å; N25-C27 VanDerWaalsContact C-N 3.34Å; N25-C27 PolarHBondContact O-N 3.47Å; C27-G31 PolarHBondContact O-N 3.48Å; C27-I32 PolarHBondContact O-N 3.21Å; C27-M38 HydrophobicContact CB-CE 3.8Å
28I39.7Very low39.5Very low104 Ų10492.8 Ų92.853%0.53348%0.48SS..Hα-helixtrans-67.2-47.3176.3-67.5164.9000111.2V24 N25 K30 G31V24-I28 HydrophobicContact CG1-CD1 3.84Å; V24-I28 VanDerWaalsContact O-CG1 3.31Å; V24-I28 WeakPolarHBondContact O-CG1 3.45Å; V24-I28 PolarHBondContact O-N 2.98Å; N25-I28 CarbonylContact O-C 3.57Å; N25-I28 WeakPolarHBondContact O-CB 3.49Å; N25-I28 PolarHBondContact O-N 3.37Å; N25-I28 VanDerWaalsContact O-N 3.17Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.46Å; I28-G31 PolarHBondContact O-N 3.11Å
29E39.3Very low39.5Very low157 Ų15793.1 Ų93.173%0.73448%0.481SS*.Hα-helixtrans-65.1-34179.4-75.7179.4167.600112.8N25N25-E29 WeakPolarHBondContact O-CB 3.43Å; N25-E29 WeakPolarHBondContact O-CG 3.02Å; N25-E29 PolarHBondContact O-N 3.44Å
30K37.2Very low39.5Very low152 Ų15292.7 Ų92.766%0.66149%0.485SS*.Hα-helixtrans-87.1-6.6175.4-68.9-173.4174.4-174.50114.4L26 I28 I32L26-K30 VanDerWaalsContact O-CB 3.32Å; L26-K30 WeakPolarHBondContact O-CB 3.48Å; L26-K30 WeakPolarHBondContact O-CG 3.35Å; L26-K30 PolarHBondContact O-N 3.12Å; I28-K30 VanDerWaalsContact C-N 3.34Å; I28-K30 PolarHBondContact O-N 3.46Å; K30-I32 VanDerWaalsContact C-N 3.34Å; K30-I32 HydrophobicContact CB-CD1 3.82Å; K30-I32 HydrophobicContact CB-CG1 3.9Å; K30-I32 HydrophobicContact CD-CD1 4.13Å; K30-I32 PolarHBondContact O-N 3.3Å
31G28.9Very low39.6Very low41 Ų4197 Ų9742%0.42350%0.496SS..THydrogen-bonded Turntrans64.533.2-178.500000114.3C27 I28 F33C27-G31 PolarHBondContact O-N 3.48Å; I28-G31 PolarHBondContact O-N 3.11Å; G31-F33 VanDerWaalsContact C-CD2 3.48Å; G31-F33 WeakPolarHBondContact O-CD2 3.49Å
32I35.3Very low39.8Very low56 Ų5696.1 Ų96.129%0.28749%0.494SS..  trans-91.4120.7-179.5-59.5172000108.5C27 K30 E37 M38C27-I32 PolarHBondContact O-N 3.21Å; K30-I32 VanDerWaalsContact C-N 3.34Å; K30-I32 HydrophobicContact CB-CD1 3.82Å; K30-I32 HydrophobicContact CB-CG1 3.9Å; K30-I32 HydrophobicContact CD-CD1 4.13Å; K30-I32 PolarHBondContact O-N 3.3Å; I32-E37 HydrophobicContact CG2-CB 3.92Å; I32-M38 WeakPolarHBondContact O-CE 3.36Å
33F40.1Very low39.6Very low162 Ų16297 Ų9771%0.71150%0.501SS*.  trans-133.85.4-165.1-70.3-65.7000115.8G31G31-F33 VanDerWaalsContact C-CD2 3.48Å; G31-F33 WeakPolarHBondContact O-CD2 3.49Å
34T37.8Very low39.5Very low71 Ų7198.8 Ų98.844%0.43651%0.508SS..  trans-93.2153.2172.380.30000111.5E37T34-E37 WeakPolarHBondContact CB-OE2 3.36Å; T34-E37 WeakPolarHBondContact OG1-CG 3.5Å; T34-E37 PolarHBondContact OG1-OE2 2.75Å
35L34.2Very low39.3Very low130 Ų13098.4 Ų98.468%0.68150%0.503SS*.Hα-helixtrans-74.6-41.8-174.4-156.778.4000111.4E37 M38 E39L35-E37 PolarHBondContact O-N 3.43Å; L35-M38 WeakPolarHBondContact O-CA 3.45Å; L35-M38 WeakPolarHBondContact O-CB 3.5Å; L35-M38 PolarHBondContact O-N 2.75Å; L35-E39 PolarHBondContact O-N 3.26Å
36D40.1Very low39.1Very low131 Ų13199.3 Ų99.370%0.70151%0.507SS*.Hα-helixtrans-60.4-31.6-178.5-4614.2000111.7
37E38.3Very low39Very low103 Ų10399.8 Ų99.848%0.48151%0.507SS..Hα-helixtrans-78.2-21.8173.7-68.6171.7130.400113.3I32 T34 L35 Y41I32-E37 HydrophobicContact CG2-CB 3.92Å; T34-E37 WeakPolarHBondContact CB-OE2 3.36Å; T34-E37 WeakPolarHBondContact OG1-CG 3.5Å; T34-E37 PolarHBondContact OG1-OE2 2.75Å; L35-E37 PolarHBondContact O-N 3.43Å; E37-Y41 WeakPolarHBondContact O-CD2 3.38Å
38M38.7Very low39.1Very low50 Ų50106.4 Ų106.425%0.24653%0.528CS..Hα-helixtrans-89.7-32178.2-70.5-174.4168.600113.2C27 I32 L35 Y41 L42C27-M38 HydrophobicContact CB-CE 3.8Å; I32-M38 WeakPolarHBondContact O-CE 3.36Å; L35-M38 WeakPolarHBondContact O-CA 3.45Å; L35-M38 WeakPolarHBondContact O-CB 3.5Å; L35-M38 PolarHBondContact O-N 2.75Å; M38-Y41 PolarHBondContact O-N 3.11Å; M38-L42 HydrophobicContact CB-CD1 4.06Å; M38-L42 PolarHBondContact O-N 3.05Å
39E41.7Very low39.1Very low107 Ų107105.1 Ų105.150%0.552%0.517SS..Hα-helixtrans-46.8-52.1-176.7-168.5164.7-115.500114.4L35 Y41 L42 E43L35-E39 PolarHBondContact O-N 3.26Å; E39-Y41 PolarHBondContact O-N 3.17Å; E39-L42 PolarHBondContact O-N 2.82Å; E39-E43 HydrophobicContact CG-CG 4.1Å; E39-E43 PolarHBondContact O-N 3.19Å
40P42Very low39.2Very low86 Ų86100.7 Ų100.756%0.55850%0.501SS*.Hα-helixtrans-65.7-22.3-179.226-36.2000114.5
41Y41.5Very low39.6Very low181 Ų18197.7 Ų97.771%0.7149%0.488SS*.Hα-helixtrans-84.4-22175-66.5-73.3000113E37 M38 E39E37-Y41 WeakPolarHBondContact O-CD2 3.38Å; M38-Y41 PolarHBondContact O-N 3.11Å; E39-Y41 PolarHBondContact O-N 3.17Å
42L44Very low40Very low79 Ų7998.8 Ų98.841%0.41448%0.484SS..Hα-helixtrans-97-43.9-176.2-70.3172.6000112.5M38 E39 S44 I46M38-L42 HydrophobicContact CB-CD1 4.06Å; M38-L42 PolarHBondContact O-N 3.05Å; E39-L42 PolarHBondContact O-N 2.82Å; L42-S44 PolarHBondContact O-N 2.84Å; L42-I46 HydrophobicContact CB-CD1 4.08Å; L42-I46 HydrophobicContact CD2-CD1 4.4Å; L42-I46 VanDerWaalsContact O-CB 3.24Å; L42-I46 WeakPolarHBondContact O-CB 3.49Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 3.38Å
43E39.8Very low40.1Very low133 Ų13398.6 Ų98.662%0.62148%0.483SS*.Hα-helixtrans-60.3-51.2-174.7-75.8-151.8117.800112.8E39 D45 I46 E47E39-E43 HydrophobicContact CG-CG 4.1Å; E39-E43 PolarHBondContact O-N 3.19Å; E43-D45 VanDerWaalsContact C-N 3.32Å; E43-D45 PolarHBondContact O-N 3.47Å; E43-I46 PolarHBondContact O-N 3.45Å; E43-E47 VanDerWaalsContact O-CB 3.22Å; E43-E47 WeakPolarHBondContact O-CB 3.39Å; E43-E47 PolarHBondContact O-N 3.19Å
44S41.3Very low40.1Very low69 Ų6998.3 Ų98.348%0.48348%0.483SS..Hα-helixtrans-62.8-35-170.464.20000114.1L42 R48L42-S44 PolarHBondContact O-N 2.84Å; S44-R48 PolarHBondContact O-N 2.99Å
45D39Very low40.3Very low66 Ų66102.8 Ų102.835%0.35350%0.497SS..Hα-helixtrans-95.6-25.7-179.7-81.3-29.7000113.4E43 E47 R48 Y49E43-D45 VanDerWaalsContact C-N 3.32Å; E43-D45 PolarHBondContact O-N 3.47Å; D45-E47 VanDerWaalsContact C-N 3.35Å; D45-R48 WeakPolarHBondContact O-CB 3.37Å; D45-R48 PolarHBondContact O-N 3.49Å; D45-R48 WeakPolarHBondContact OD1-CD 3.5Å; D45-R48 IonicContact OD1-CZ 3.37Å; D45-R48 IonicContact OD1-NE 3.24Å; D45-R48 IonicContact OD1-NH1 3.11Å; D45-R48 PolarHBondContact OD1-NH1 3.41Å; D45-Y49 WeakPolarHBondContact O-CB 3.39Å; D45-Y49 PolarHBondContact O-N 3.23Å
46I40.1Very low40.3Very low92 Ų9299.2 Ų99.247%0.47248%0.478SS..Hα-helixtrans-65.9-41.2165.5-69.3171.8000109.9L42 E43 R48 Y49 T50L42-I46 HydrophobicContact CB-CD1 4.08Å; L42-I46 HydrophobicContact CD2-CD1 4.4Å; L42-I46 VanDerWaalsContact O-CB 3.24Å; L42-I46 WeakPolarHBondContact O-CB 3.49Å; L42-I46 WeakPolarHBondContact O-CG1 3.47Å; L42-I46 PolarHBondContact O-N 3.38Å; E43-I46 PolarHBondContact O-N 3.45Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 3.36Å; I46-Y49 PolarHBondContact O-N 2.92Å; I46-T50 HydrophobicContact CG2-CG2 4.5Å; I46-T50 PolarHBondContact O-N 3.41Å; I46-T50 PolarHBondContact O-OG1 3.42Å
47E41.2Very low40.5Very low100 Ų10096.6 Ų96.647%0.46747%0.468SS..Hα-helixtrans-67.2-30.8176.9-153.5-146.5-16400111.9E43 D45 T50 K51E43-E47 VanDerWaalsContact O-CB 3.22Å; E43-E47 WeakPolarHBondContact O-CB 3.39Å; E43-E47 PolarHBondContact O-N 3.19Å; D45-E47 VanDerWaalsContact C-N 3.35Å; E47-T50 WeakPolarHBondContact CA-OG1 3.39Å; E47-T50 PolarHBondContact O-OG1 3.39Å; E47-T50 VanDerWaalsContact O-OG1 3.12Å; E47-K51 HydrophobicContact CG-CD 4.33Å; E47-K51 WeakPolarHBondContact O-CB 3.35Å; E47-K51 WeakPolarHBondContact O-CD 3.48Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 PolarHBondContact O-N 3.34Å; E47-K51 VanDerWaalsContact OE1-CE 3.23Å; E47-K51 WeakPolarHBondContact OE1-CE 3.31Å; E47-K51 IonicContact OE1-NZ 2.62Å; E47-K51 PolarHBondContact OE1-NZ 3.21Å; E47-K51 WeakPolarHBondContact OE2-CE 3.36Å; E47-K51 IonicContact OE2-NZ 2.84Å; E47-K51 PolarHBondContact OE2-NZ 2.88Å
48R39.8Very low40.4Very low164 Ų16495.1 Ų95.162%0.61946%0.464SS*.Hα-helixtrans-65.5-43.6165.3-84163.6151.6-175.7-1.6112.4S44 D45 I46 K51 L52S44-R48 PolarHBondContact O-N 2.99Å; D45-R48 WeakPolarHBondContact O-CB 3.37Å; D45-R48 PolarHBondContact O-N 3.49Å; D45-R48 WeakPolarHBondContact OD1-CD 3.5Å; D45-R48 IonicContact OD1-CZ 3.37Å; D45-R48 IonicContact OD1-NE 3.24Å; D45-R48 IonicContact OD1-NH1 3.11Å; D45-R48 PolarHBondContact OD1-NH1 3.41Å; I46-R48 VanDerWaalsContact C-N 3.29Å; I46-R48 PolarHBondContact O-N 3.36Å; R48-K51 CarbonylContact O-C 3.59Å; R48-K51 PolarHBondContact O-N 2.93Å; R48-L52 VanDerWaalsContact O-CB 3.31Å; R48-L52 WeakPolarHBondContact O-CB 3.43Å; R48-L52 WeakPolarHBondContact O-CG 3.4Å; R48-L52 PolarHBondContact O-N 3.21Å
49Y40.4Very low40.2Very low78 Ų7894.7 Ų94.731%0.30646%0.463SS..Hα-helixtrans-68.2-37.6-177.7-163-106.7000112.1C16 D45 I46 L52 I53 L59C16-Y49 HydrophobicContact CB-CD2 4.37Å; C16-Y49 HydrophobicContact CB-CE2 4.35Å; D45-Y49 WeakPolarHBondContact O-CB 3.39Å; D45-Y49 PolarHBondContact O-N 3.23Å; I46-Y49 PolarHBondContact O-N 2.92Å; Y49-L52 PolarHBondContact O-N 3.47Å; Y49-I53 HydrophobicContact CD1-CD1 3.79Å; Y49-I53 HydrophobicContact CE1-CD1 3.61Å; Y49-I53 HydrophobicContact CE1-CG1 4.47Å; Y49-I53 WeakPolarHBondContact O-CG1 3.38Å; Y49-I53 PolarHBondContact O-N 3.39Å; Y49-L59 HydrophobicContact CE2-CD2 4.33Å
50T41.8Very low40.1Very low63 Ų6391.5 Ų91.539%0.38746%0.455SS..Hα-helixtrans-67.2-46.7170.255.80000111.2I46 E47 L52 I53 E54I46-T50 HydrophobicContact CG2-CG2 4.5Å; I46-T50 PolarHBondContact O-N 3.41Å; I46-T50 PolarHBondContact O-OG1 3.42Å; E47-T50 WeakPolarHBondContact CA-OG1 3.39Å; E47-T50 PolarHBondContact O-OG1 3.39Å; E47-T50 VanDerWaalsContact O-OG1 3.12Å; T50-L52 PolarHBondContact O-N 3.09Å; T50-I53 PolarHBondContact O-N 3.06Å; T50-I53 VanDerWaalsContact O-N 3.08Å; T50-E54 WeakPolarHBondContact O-CG 3.43Å; T50-E54 PolarHBondContact O-N 3.26Å
51K44.6Very low39.8Very low90 Ų9093.2 Ų93.239%0.39145%0.453SS..Hα-helixtrans-63-21.3174.2-72170.7-178174.20113.6E47 R48 K55E47-K51 HydrophobicContact CG-CD 4.33Å; E47-K51 WeakPolarHBondContact O-CB 3.35Å; E47-K51 WeakPolarHBondContact O-CD 3.48Å; E47-K51 WeakPolarHBondContact O-CG 3.41Å; E47-K51 PolarHBondContact O-N 3.34Å; E47-K51 VanDerWaalsContact OE1-CE 3.23Å; E47-K51 WeakPolarHBondContact OE1-CE 3.31Å; E47-K51 IonicContact OE1-NZ 2.62Å; E47-K51 PolarHBondContact OE1-NZ 3.21Å; E47-K51 WeakPolarHBondContact OE2-CE 3.36Å; E47-K51 IonicContact OE2-NZ 2.84Å; E47-K51 PolarHBondContact OE2-NZ 2.88Å; R48-K51 CarbonylContact O-C 3.59Å; R48-K51 PolarHBondContact O-N 2.93Å; K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 WeakPolarHBondContact O-CD 3.48Å; K51-K55 VanDerWaalsContact O-CG 3.22Å; K51-K55 WeakPolarHBondContact O-CG 3.48Å; K51-K55 PolarHBondContact O-N 3.2Å
52L37.5Very low39.3Very low64 Ų6488.2 Ų88.234%0.33544%0.439SS..Hα-helixtrans-78.2-44.3170.1-84.5163.7000111.7R48 Y49 T50 E54 K55 D56R48-L52 VanDerWaalsContact O-CB 3.31Å; R48-L52 WeakPolarHBondContact O-CB 3.43Å; R48-L52 WeakPolarHBondContact O-CG 3.4Å; R48-L52 PolarHBondContact O-N 3.21Å; Y49-L52 PolarHBondContact O-N 3.47Å; T50-L52 PolarHBondContact O-N 3.09Å; L52-E54 VanDerWaalsContact C-N 3.32Å; L52-E54 PolarHBondContact O-N 2.92Å; L52-K55 PolarHBondContact O-N 3.15Å; L52-D56 PolarHBondContact O-N 3.29Å
53I37.7Very low38.9Very low52 Ų5287.1 Ų87.127%0.26744%0.438SS..Hα-helixtrans-63.2-37.3173.8-72.3167.6000111.5Y49 T50 D56 P57 L59 A60Y49-I53 HydrophobicContact CD1-CD1 3.79Å; Y49-I53 HydrophobicContact CE1-CD1 3.61Å; Y49-I53 HydrophobicContact CE1-CG1 4.47Å; Y49-I53 WeakPolarHBondContact O-CG1 3.38Å; Y49-I53 PolarHBondContact O-N 3.39Å; T50-I53 PolarHBondContact O-N 3.06Å; T50-I53 VanDerWaalsContact O-N 3.08Å; I53-D56 CarbonylContact O-C 3.59Å; I53-P57 VanDerWaalsContact O-CA 3.32Å; I53-P57 WeakPolarHBondContact O-CA 3.49Å; I53-L59 HydrophobicContact CG1-CB 4.24Å; I53-A60 HydrophobicContact CG2-CB 4.19Å
54E41.3Very low38.5Very low155 Ų15584.7 Ų84.772%0.72443%0.429SS*.Hα-helixtrans-67.1-33.8174-72.4-176.4153.300112.6T50 L52T50-E54 WeakPolarHBondContact O-CG 3.43Å; T50-E54 PolarHBondContact O-N 3.26Å; L52-E54 VanDerWaalsContact C-N 3.32Å; L52-E54 PolarHBondContact O-N 2.92Å
55K41.3Very low38Very low166 Ų16685 Ų8572%0.72243%0.425SS*.Hα-helixtrans-77.2-42.8175.9-80.6174.61791770113.2K51 L52K51-K55 WeakPolarHBondContact O-CB 3.37Å; K51-K55 WeakPolarHBondContact O-CD 3.48Å; K51-K55 VanDerWaalsContact O-CG 3.22Å; K51-K55 WeakPolarHBondContact O-CG 3.48Å; K51-K55 PolarHBondContact O-N 3.2Å; L52-K55 PolarHBondContact O-N 3.15Å
56D35.2Very low37.6Very low54 Ų5487.1 Ų87.129%0.28943%0.434SS..  trans-134.483.7-177.1-102.8-27.1000111.3K9 L52 I53 D58 L59K9-D56 IonicContact NZ-OD2 3.72Å; K9-D56 PolarHBondContact NZ-OD2 2.89Å; L52-D56 PolarHBondContact O-N 3.29Å; I53-D56 CarbonylContact O-C 3.59Å; D56-D58 PolarHBondContact O-N 3.01Å; D56-L59 PolarHBondContact O-N 3.29Å; D56-L59 VanDerWaalsContact O-N 3.13Å
57P43.1Very low37.2Very low76 Ų7686.9 Ų86.949%0.49443%0.431SS..THydrogen-bonded Turntrans-68.7-1.6-17426.4-35.8000115.2I53 L59 A60I53-P57 VanDerWaalsContact O-CA 3.32Å; I53-P57 WeakPolarHBondContact O-CA 3.49Å; P57-L59 PolarHBondContact O-N 3.27Å; P57-A60 WeakPolarHBondContact O-CB 3.14Å; P57-A60 PolarHBondContact O-N 2.92Å
58D36.7Very low36.7Very low73 Ų7388.9 Ų88.939%0.3944%0.435SS..Hα-helixtrans-69.7-20.9169.6-74.4-50.5000112.5D56 A60 K61 N62D56-D58 PolarHBondContact O-N 3.01Å; D58-A60 PolarHBondContact O-N 3.4Å; D58-K61 WeakPolarHBondContact O-CB 3.22Å; D58-K61 PolarHBondContact O-N 2.96Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 VanDerWaalsContact OD1-CD 3.29Å; D58-K61 WeakPolarHBondContact OD1-CD 3.36Å; D58-K61 VanDerWaalsContact OD1-CE 3.24Å; D58-K61 WeakPolarHBondContact OD1-CE 3.47Å; D58-K61 IonicContact OD1-NZ 3.16Å; D58-K61 PolarHBondContact OD1-NZ 3.41Å; D58-N62 PolarHBondContact O-N 2.83Å
59L34.9Very low36.3Very low41 Ų4183.6 Ų83.622%0.21542%0.417CS..Hα-helixtrans-57.2-39.5166.5-106.5149.8000111.5A13 Y49 I53 D56 P57 K61 N62 S63A13-L59 HydrophobicContact CB-CD2 4.22Å; Y49-L59 HydrophobicContact CE2-CD2 4.33Å; I53-L59 HydrophobicContact CG1-CB 4.24Å; D56-L59 PolarHBondContact O-N 3.29Å; D56-L59 VanDerWaalsContact O-N 3.13Å; P57-L59 PolarHBondContact O-N 3.27Å; L59-K61 VanDerWaalsContact C-N 3.35Å; L59-K61 PolarHBondContact O-N 3.08Å; L59-N62 PolarHBondContact O-N 3.06Å; L59-S63 PolarHBondContact O-N 3.49Å; L59-S63 PolarHBondContact O-OG 3.24Å
60A39.2Very low35.9Very low40 Ų4084.5 Ų84.533%0.33143%0.426SS..Hα-helixtrans-72-23.7175.800000113.5I53 P57 D58 S63 L64I53-A60 HydrophobicContact CG2-CB 4.19Å; P57-A60 WeakPolarHBondContact O-CB 3.14Å; P57-A60 PolarHBondContact O-N 2.92Å; D58-A60 PolarHBondContact O-N 3.4Å; A60-S63 PolarHBondContact O-OG 3.37Å; A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 2.86Å
61K36.1Very low35.4Very low121 Ų12185.3 Ų85.353%0.52643%0.426SS..Hα-helixtrans-71.6-37.5167.4-71.4-175-167.1147.70111.6D58 L59 L64 L65D58-K61 WeakPolarHBondContact O-CB 3.22Å; D58-K61 PolarHBondContact O-N 2.96Å; D58-K61 VanDerWaalsContact O-N 3.08Å; D58-K61 VanDerWaalsContact OD1-CD 3.29Å; D58-K61 WeakPolarHBondContact OD1-CD 3.36Å; D58-K61 VanDerWaalsContact OD1-CE 3.24Å; D58-K61 WeakPolarHBondContact OD1-CE 3.47Å; D58-K61 IonicContact OD1-NZ 3.16Å; D58-K61 PolarHBondContact OD1-NZ 3.41Å; L59-K61 VanDerWaalsContact C-N 3.35Å; L59-K61 PolarHBondContact O-N 3.08Å; K61-L64 PolarHBondContact O-N 3.08Å; K61-L65 WeakPolarHBondContact O-CG 3.45Å; K61-L65 PolarHBondContact O-N 3.4Å
62N30.8Very low34.8Very low77 Ų7782.7 Ų82.741%0.41242%0.424SS..Hα-helixtrans-69.2-42.4-178.5-73.2-13.9000111.6D58 L59 L65 I66D58-N62 PolarHBondContact O-N 2.83Å; L59-N62 PolarHBondContact O-N 3.06Å; N62-L65 WeakPolarHBondContact O-CB 3.16Å; N62-L65 PolarHBondContact O-N 2.81Å; N62-I66 WeakPolarHBondContact O-CG1 3.48Å; N62-I66 PolarHBondContact O-N 2.98Å; N62-I66 VanDerWaalsContact O-N 3.1Å
63S34.8Very low34.4Very low56 Ų5681.2 Ų81.239%0.39242%0.416SS..Hα-helixtrans-63.8-41.5171.556.30000112.5L59 A60 L65 I66 E67L59-S63 PolarHBondContact O-N 3.49Å; L59-S63 PolarHBondContact O-OG 3.24Å; A60-S63 PolarHBondContact O-OG 3.37Å; S63-L65 PolarHBondContact O-N 3.23Å; S63-I66 PolarHBondContact O-N 2.62Å; S63-E67 PolarHBondContact O-N 3Å; S63-E67 VanDerWaalsContact O-N 3.11Å
64L32.6Very low34Very low82 Ų8283.7 Ų83.743%0.42943%0.43SS..Hα-helixtrans-65.3-23.4175.1-174.9144000113.5A60 K61 R68A60-L64 WeakPolarHBondContact O-CB 3.46Å; A60-L64 PolarHBondContact O-N 2.86Å; K61-L64 PolarHBondContact O-N 3.08Å; L64-R68 WeakPolarHBondContact O-CB 3.3Å; L64-R68 WeakPolarHBondContact O-CD 3.33Å; L64-R68 VanDerWaalsContact O-CG 3.23Å; L64-R68 WeakPolarHBondContact O-CG 3.09Å
65L30.8Very low33.5Very low76 Ų7682.1 Ų82.140%0.39843%0.427SS..Hα-helixtrans-75-41.8168-80.2165.6000111.9K61 N62 S63 R68 H69K61-L65 WeakPolarHBondContact O-CG 3.45Å; K61-L65 PolarHBondContact O-N 3.4Å; N62-L65 WeakPolarHBondContact O-CB 3.16Å; N62-L65 PolarHBondContact O-N 2.81Å; S63-L65 PolarHBondContact O-N 3.23Å; L65-R68 PolarHBondContact O-N 2.99Å; L65-H69 PolarHBondContact O-CD2 3.49Å; L65-H69 PolarHBondContact O-N 2.88Å
66I30Very low32.8Very low109 Ų10979.2 Ų79.256%0.55942%0.418SS*.Hα-helixtrans-60.5-47.2180-68.2164.1000111N62 S63 R68 H69 I70N62-I66 WeakPolarHBondContact O-CG1 3.48Å; N62-I66 PolarHBondContact O-N 2.98Å; N62-I66 VanDerWaalsContact O-N 3.1Å; S63-I66 PolarHBondContact O-N 2.62Å; I66-R68 PolarHBondContact O-N 3.37Å; I66-H69 PolarHBondContact O-N 3.38Å; I66-I70 HydrophobicContact CG2-CD1 4.24Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 3.31Å; I66-I70 VanDerWaalsContact O-N 3.13Å
67E31.4Very low32.4Very low87 Ų8782.8 Ų82.841%0.40743%0.433SS..Hα-helixtrans-62.2-43.7177.3-168.7-172.3-179.300112.1S63 H69 I70 Q71 F159S63-E67 PolarHBondContact O-N 3Å; S63-E67 VanDerWaalsContact O-N 3.11Å; E67-H69 VanDerWaalsContact C-N 3.29Å; E67-H69 PolarHBondContact O-N 3.31Å; E67-I70 PolarHBondContact O-N 2.87Å; E67-I70 VanDerWaalsContact O-N 3.14Å; E67-Q71 PolarHBondContact O-N 3.3Å; E67-F159 WeakPolarHBondContact OE1-CZ 3.35Å; E67-F159 WeakPolarHBondContact OE2-CE1 3.4Å
68R31Very low31.8Very low142 Ų14283.2 Ų83.254%0.53644%0.437SS..Hα-helixtrans-60-37.4175.8-79.2175.7168.7-164.3-6.4112.9L64 L65 I66 G72L64-R68 WeakPolarHBondContact O-CB 3.3Å; L64-R68 WeakPolarHBondContact O-CD 3.33Å; L64-R68 VanDerWaalsContact O-CG 3.23Å; L64-R68 WeakPolarHBondContact O-CG 3.09Å; L65-R68 PolarHBondContact O-N 2.99Å; I66-R68 PolarHBondContact O-N 3.37Å; R68-G72 PolarHBondContact O-N 2.69Å
69H31Very low31.5Very low53 Ų5383.4 Ų83.425%0.24544%0.438CS..Hα-helixtrans-64.7-44.7174.4-74.5-55.7000111.1L65 I66 E67 Q71 G72 L73 I224L65-H69 PolarHBondContact O-CD2 3.49Å; L65-H69 PolarHBondContact O-N 2.88Å; I66-H69 PolarHBondContact O-N 3.38Å; E67-H69 VanDerWaalsContact C-N 3.29Å; E67-H69 PolarHBondContact O-N 3.31Å; H69-Q71 PolarHBondContact O-N 3.12Å; H69-G72 PolarHBondContact O-N 3.43Å; H69-L73 WeakPolarHBondContact O-CB 3.44Å; H69-L73 VanDerWaalsContact O-CD1 3.23Å; H69-L73 WeakPolarHBondContact O-CD1 3.34Å; H69-L73 WeakPolarHBondContact O-CG 3.17Å; H69-L73 PolarHBondContact O-N 3.26Å; H69-I224 WeakPolarHBondContact NE2-CD1 3.36Å
70I32Very low31.2Very low97 Ų9788.2 Ų88.250%0.49746%0.463SS..Hα-helixtrans-59.3-48.5177.9-64.6165000111.3I66 E67 L73 N74I66-I70 HydrophobicContact CG2-CD1 4.24Å; I66-I70 WeakPolarHBondContact O-CG1 3.44Å; I66-I70 PolarHBondContact O-N 3.31Å; I66-I70 VanDerWaalsContact O-N 3.13Å; E67-I70 PolarHBondContact O-N 2.87Å; E67-I70 VanDerWaalsContact O-N 3.14Å; I70-L73 PolarHBondContact O-N 3.09Å; I70-N74 PolarHBondContact O-N 3.09Å
71Q32.1Very low31Very low81 Ų8189.9 Ų89.938%0.37947%0.467SS..Hα-helixtrans-64.7-43.2179.1-67.9-175.22.400112.7E67 H69 L73 N74E67-Q71 PolarHBondContact O-N 3.3Å; H69-Q71 PolarHBondContact O-N 3.12Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.13Å; Q71-N74 PolarHBondContact O-N 2.77Å
72G31.4Very low30.6Very low35 Ų3590 Ų9036%0.36147%0.472SS..Hα-helixtrans-64.5-31.7178.100000113.7R68 H69 I76R68-G72 PolarHBondContact O-N 2.69Å; H69-G72 PolarHBondContact O-N 3.43Å; G72-I76 WeakPolarHBondContact O-CG1 3.48Å; G72-I76 PolarHBondContact O-N 3.42Å
73L28.5Very low30.7Very low33 Ų3394.3 Ų94.317%0.17349%0.488CS..Hα-helixtrans-74-36.9177.6-69.7162.5000112.5H69 I70 Q71 N75 I76 H77 L216 I220H69-L73 WeakPolarHBondContact O-CB 3.44Å; H69-L73 VanDerWaalsContact O-CD1 3.23Å; H69-L73 WeakPolarHBondContact O-CD1 3.34Å; H69-L73 WeakPolarHBondContact O-CG 3.17Å; H69-L73 PolarHBondContact O-N 3.26Å; I70-L73 PolarHBondContact O-N 3.09Å; Q71-L73 VanDerWaalsContact C-N 3.29Å; Q71-L73 PolarHBondContact O-N 3.13Å; L73-N75 PolarHBondContact O-N 3.02Å; L73-I76 PolarHBondContact O-N 3.01Å; L73-I76 VanDerWaalsContact O-N 3.09Å; L73-H77 PolarHBondContact O-N 3.29Å; L73-L216 HydrophobicContact CD1-CD2 4.35Å; L73-L216 HydrophobicContact CD2-CD2 3.86Å; L73-I220 HydrophobicContact CD1-CD1 3.42Å; L73-I220 VanDerWaalsContact CD1-CD1 3.42Å; L73-I220 HydrophobicContact CD1-CG1 3.85Å; L73-I220 HydrophobicContact CD2-CG1 4.36Å
74N30Very low30.6Very low104 Ų10496.2 Ų96.256%0.55649%0.49SS*.Hα-helixtrans-58.7-34.4174.5-75.4-5.4000112.2I70 Q71 H77I70-N74 PolarHBondContact O-N 3.09Å; Q71-N74 PolarHBondContact O-N 2.77Å; N74-H77 VanDerWaalsContact O-CB 3.27Å; N74-H77 WeakPolarHBondContact O-CB 3.22Å; N74-H77 PolarHBondContact O-N 3.43Å
75N30.7Very low30.6Very low122 Ų12296.8 Ų96.865%0.65249%0.493SS*.Hα-helixtrans-74-33.2175.8-67.84.3000112.7L73 H77 S78L73-N75 PolarHBondContact O-N 3.02Å; N75-H77 VanDerWaalsContact C-N 3.27Å; N75-H77 PolarHBondContact O-N 3.42Å; N75-S78 PolarHBondContact O-OG 3.49Å
76I27.6Very low30.6Very low104 Ų10499.8 Ų99.853%0.53350%0.5SS..Hα-helixtrans-72.2-24175.8-67167.2000111.4G72 L73 S78 I79G72-I76 WeakPolarHBondContact O-CG1 3.48Å; G72-I76 PolarHBondContact O-N 3.42Å; L73-I76 PolarHBondContact O-N 3.01Å; L73-I76 VanDerWaalsContact O-N 3.09Å; I76-S78 PolarHBondContact O-N 3.43Å; I76-I79 PolarHBondContact O-N 3.19Å
77H25.8Very low30.7Very low130 Ų13099.6 Ų99.660%0.60250%0.5SS*.THydrogen-bonded Turntrans-59.9-15.2-177.2-157.1-49.8000114.5L73 N74 N75L73-H77 PolarHBondContact O-N 3.29Å; N74-H77 VanDerWaalsContact O-CB 3.27Å; N74-H77 WeakPolarHBondContact O-CB 3.22Å; N74-H77 PolarHBondContact O-N 3.43Å; N75-H77 VanDerWaalsContact C-N 3.27Å; N75-H77 PolarHBondContact O-N 3.42Å
78S31.3Very low30.6Very low84 Ų8499 Ų9959%0.58750%0.498SS*.THydrogen-bonded Turntrans-95.89.7-174.567.20000115.8N75 I76N75-S78 PolarHBondContact O-OG 3.49Å; I76-S78 PolarHBondContact O-N 3.43Å
79I30Very low30.6Very low78 Ų7896.2 Ų96.240%0.450%0.497SS..  trans-131126.7-169-50169.2000111.1I76 I106I76-I79 PolarHBondContact O-N 3.19Å; I79-I106 HydrophobicContact CD1-CB 4.38Å; I79-I106 HydrophobicContact CD1-CD1 3.77Å; I79-I106 HydrophobicContact CD1-CG1 4.01Å; I79-I106 HydrophobicContact CD1-CG2 3.47Å; I79-I106 VanDerWaalsContact CD1-CG2 3.47Å; I79-I106 HydrophobicContact CG1-CG2 4.24Å
80N29.2Very low30.4Very low141 Ų141101.1 Ų101.175%0.75452%0.517SS*.  trans-134.219.8-164.2-142.85.2000116.3
81N33.4Very low30.3Very low76 Ų76101.1 Ų101.141%0.40652%0.522SS..  trans-13089.8-176.1-158.2-9.5000114.7K83 I113N81-K83 PolarHBondContact O-N 3.35Å; N81-K83 VanDerWaalsContact O-N 3.1Å; N81-I113 HydrophobicContact CB-CD1 3.93Å
82L29.2Very low30.2Very low122 Ų122102 Ų10264%0.63953%0.529SS*.Hα-helixtrans-61.6-16.4-177.3-95.7157.5000115.8I85L82-I85 HydrophobicContact CD2-CD1 4.39Å
83K31.1Very low30Very low169 Ų169108.3 Ų108.374%0.73555%0.548SS*.Hα-helixtrans-75.9-31.5-170.2-147.7174.6-174.5-179.10112.9N81N81-K83 PolarHBondContact O-N 3.35Å; N81-K83 VanDerWaalsContact O-N 3.1Å
84E33.8Very low29.9Very low95 Ų95113.8 Ų113.844%0.44458%0.577SS.*Hα-helixtrans-78.1-35.3179-59.6-166.1126.100112.1Y86 N87 M88 N109E84-Y86 PolarHBondContact O-N 2.64Å; E84-N87 PolarHBondContact O-N 3.36Å; E84-M88 PolarHBondContact O-N 3.08Å; E84-N109 PolarHBondContact OE2-ND2 3.18Å
85I32.1Very low29.7Very low94 Ų94117.1 Ų117.148%0.48259%0.587SS.*Hα-helixtrans-54.1-41172.2-56.1177.9000110.2L82 N87 M88 T89L82-I85 HydrophobicContact CD2-CD1 4.39Å; I85-N87 PolarHBondContact O-N 3Å; I85-M88 PolarHBondContact O-N 2.72Å; I85-T89 WeakPolarHBondContact O-CG2 3.37Å; I85-T89 PolarHBondContact O-N 3.09Å; I85-T89 PolarHBondContact O-OG1 3.44Å
86Y31.1Very low29.5Very low140 Ų140120 Ų12055%0.54960%0.596SS.*Hα-helixtrans-62.5-42.8176.4-172.4-97.3000112.6E84 T89 K90E84-Y86 PolarHBondContact O-N 2.64Å; Y86-T89 PolarHBondContact O-N 3.46Å; Y86-T89 PolarHBondContact O-OG1 3.22Å; Y86-K90 PolarHBondContact O-N 2.9Å
87N32.7Very low29.5Very low104 Ų104119.2 Ų119.256%0.55659%0.592SS**Hα-helixtrans-65.9-43.7176.7-75-12000111.8E84 I85 T89 K90 T91E84-N87 PolarHBondContact O-N 3.36Å; I85-N87 PolarHBondContact O-N 3Å; N87-T89 VanDerWaalsContact C-N 3.34Å; N87-T89 PolarHBondContact O-N 3.42Å; N87-K90 VanDerWaalsContact O-CB 3.28Å; N87-K90 WeakPolarHBondContact O-CB 3.15Å; N87-K90 PolarHBondContact O-N 3.46Å; N87-T91 PolarHBondContact O-N 2.92Å
88M29.4Very low29.6Very low76 Ų76115.6 Ų115.637%0.37458%0.577SS.*Hα-helixtrans-57.6-44.2172.4-78.3-140.6-119.400111.9E84 I85 K90 T91 I92 L102 S105E84-M88 PolarHBondContact O-N 3.08Å; I85-M88 PolarHBondContact O-N 2.72Å; M88-K90 PolarHBondContact O-N 3.35Å; M88-T91 PolarHBondContact O-N 3.11Å; M88-T91 PolarHBondContact O-OG1 2.93Å; M88-I92 WeakPolarHBondContact O-CG1 3.36Å; M88-I92 PolarHBondContact O-N 3.04Å; M88-L102 HydrophobicContact CE-CD2 4.44Å; M88-S105 WeakPolarHBondContact CE-OG 3.5Å
89T30.2Very low29.5Very low82 Ų82115.2 Ų115.250%0.50357%0.565SS.*Hα-helixtrans-63.7-11.8177.159.60000114.3I85 Y86 N87 I92I85-T89 WeakPolarHBondContact O-CG2 3.37Å; I85-T89 PolarHBondContact O-N 3.09Å; I85-T89 PolarHBondContact O-OG1 3.44Å; Y86-T89 PolarHBondContact O-N 3.46Å; Y86-T89 PolarHBondContact O-OG1 3.22Å; N87-T89 VanDerWaalsContact C-N 3.34Å; N87-T89 PolarHBondContact O-N 3.42Å; T89-I92 HydrophobicContact CG2-CD1 4.32Å
90K26.3Very low29.6Very low156 Ų156113.6 Ų113.668%0.67856%0.557SS**Hα-helixtrans-89.2-28.6174.4-137.4-178.9-176.9-171.40112.9Y86 N87 M88Y86-K90 PolarHBondContact O-N 2.9Å; N87-K90 VanDerWaalsContact O-CB 3.28Å; N87-K90 WeakPolarHBondContact O-CB 3.15Å; N87-K90 PolarHBondContact O-N 3.46Å; M88-K90 PolarHBondContact O-N 3.35Å
91T30.7Very low29.6Very low98 Ų98110.6 Ų110.660%0.60154%0.541SS*.Hα-helixtrans-86.4-15177.247.40000113.9N87 M88 H93N87-T91 PolarHBondContact O-N 2.92Å; M88-T91 PolarHBondContact O-N 3.11Å; M88-T91 PolarHBondContact O-OG1 2.93Å; T91-H93 PolarHBondContact O-N 3.33Å
92I29.8Very low29.4Very low100 Ų100109.9 Ų109.951%0.51354%0.537SS..THydrogen-bonded Turntrans-51.1-17.9172.6-76.6178000114.2M88 T89 N94M88-I92 WeakPolarHBondContact O-CG1 3.36Å; M88-I92 PolarHBondContact O-N 3.04Å; T89-I92 HydrophobicContact CG2-CD1 4.32Å; I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.44Å; I92-N94 VanDerWaalsContact O-N 3.14Å
93H27.9Very low29.5Very low166 Ų166107.5 Ų107.577%0.76952%0.524SS*.THydrogen-bonded Turntrans-61.4-26.7-170.2-151.2-17.4000115.4T91T91-H93 PolarHBondContact O-N 3.33Å
94N26.5Very low29.5Very low148 Ų148103.8 Ų103.879%0.79151%0.512SS*.SBendtrans-125.4-10.5-161-84.9-1.8000118.5I92I92-N94 VanDerWaalsContact C-N 3.28Å; I92-N94 PolarHBondContact O-N 3.44Å; I92-N94 VanDerWaalsContact O-N 3.14Å
95K25.6Very low29.2Very low174 Ų174101.2 Ų101.276%0.75751%0.505SS*.SBendtrans-143.3150.2176.8-77.7-169.7176.7179.20112.6I97K95-I97 PolarHBondContact O-N 3.16Å
96H24.8Very low29.1Very low182 Ų18299.7 Ų99.784%0.84350%0.497SS*.  trans-63.4127.1165-65.5-96.2000108.8
97I29Very low29.2Very low88 Ų8897.6 Ų97.645%0.45149%0.492SS..  trans-130.4135.1177.5-67.7178.9000106.3K95 D101K95-I97 PolarHBondContact O-N 3.16Å; I97-D101 HydrophobicContact CG2-CB 3.52Å
98L27.9Very low29Very low54 Ų5498.6 Ų98.628%0.28350%0.496SS..  trans-80.4165.1-175.9-75161.4000111.8D100 D101 L102 K148 I150L98-D100 PolarHBondContact O-N 3.44Å; L98-D101 WeakPolarHBondContact CB-OD2 3.48Å; L98-D101 PolarHBondContact N-OD2 3.49Å; L98-L102 PolarHBondContact O-N 3.46Å; L98-K148 HydrophobicContact CD2-CB 3.65Å; L98-K148 HydrophobicContact CD2-CD 4.07Å; L98-K148 HydrophobicContact CD2-CG 4.5Å; L98-I150 HydrophobicContact CD2-CD1 4.26Å
99F27.7Very low28.8Very low77 Ų7798.1 Ų98.134%0.33850%0.495SS..Hα-helixtrans-67.7-22.3169-139.5-87000111.9L102 I103 M147 F149F99-L102 WeakPolarHBondContact O-CB 3.44Å; F99-L102 PolarHBondContact O-N 2.85Å; F99-I103 PolarHBondContact O-N 3.26Å; F99-M147 HydrophobicContact CD2-CE 4.11Å; F99-F149 HydrophobicContact CB-CD1 4.44Å; F99-F149 HydrophobicContact CD1-CE1 4.41Å; F99-F149 AromaticContact CD2-CD1 3.83Å; F99-F149 HydrophobicContact CD2-CD1 3.83Å; F99-F149 AromaticContact CD2-CE1 3.39Å; F99-F149 HydrophobicContact CD2-CE1 3.39Å; F99-F149 AromaticContact CD2-CZ 3.84Å; F99-F149 HydrophobicContact CD2-CZ 3.84Å; F99-F149 HydrophobicContact CE1-CE1 4.36Å; F99-F149 HydrophobicContact CE2-CD1 4.23Å; F99-F149 AromaticContact CE2-CE1 3.34Å; F99-F149 HydrophobicContact CE2-CE1 3.34Å; F99-F149 AromaticContact CE2-CZ 3.66Å; F99-F149 HydrophobicContact CE2-CZ 3.66Å; F99-F149 HydrophobicContact CG-CD1 4.01Å; F99-F149 AromaticContact CG-CE1 3.95Å; F99-F149 HydrophobicContact CG-CE1 3.95Å; F99-F149 AromaticContact CZ-CE1 3.86Å; F99-F149 HydrophobicContact CZ-CE1 3.86Å; F99-F149 HydrophobicContact CZ-CZ 4.47Å
100D32.4Very low28.6Very low43 Ų43100.2 Ų100.223%0.2350%0.497CS..Hα-helixtrans-81.3-37.1179.3-56.6-17.5000111.6L98 L102 I103 D104 I150L98-D100 PolarHBondContact O-N 3.44Å; D100-L102 PolarHBondContact O-N 2.79Å; D100-L102 VanDerWaalsContact O-N 3.14Å; D100-I103 CarbonylContact O-C 3.6Å; D100-I103 WeakPolarHBondContact O-CA 3.44Å; D100-I103 WeakPolarHBondContact O-CB 3.48Å; D100-I103 PolarHBondContact O-N 3.35Å; D100-D104 PolarHBondContact O-N 2.83Å; D100-I150 WeakPolarHBondContact OD2-CB 3.46Å; D100-I150 VanDerWaalsContact OD2-CD1 3.24Å; D100-I150 WeakPolarHBondContact OD2-CD1 3.48Å; D100-I150 WeakPolarHBondContact OD2-CG2 3.42Å
101D30.7Very low28.6Very low78 Ų7898.4 Ų98.442%0.41750%0.504SS..Hα-helixtrans-53.8-34165.7-68.9-57.4000111.2I97 L98 S105I97-D101 HydrophobicContact CG2-CB 3.52Å; L98-D101 WeakPolarHBondContact CB-OD2 3.48Å; L98-D101 PolarHBondContact N-OD2 3.49Å; D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.2Å; D101-S105 PolarHBondContact O-N 3.37Å; D101-S105 PolarHBondContact O-OG 3.27Å
102L28.4Very low28.3Very low61 Ų6196.9 Ų96.932%0.31950%0.497SS..Hα-helixtrans-70.7-33.5175.8-118.5170.9000112.2M88 L98 F99 D100 S105 I106M88-L102 HydrophobicContact CE-CD2 4.44Å; L98-L102 PolarHBondContact O-N 3.46Å; F99-L102 WeakPolarHBondContact O-CB 3.44Å; F99-L102 PolarHBondContact O-N 2.85Å; D100-L102 PolarHBondContact O-N 2.79Å; D100-L102 VanDerWaalsContact O-N 3.14Å; L102-S105 PolarHBondContact O-OG 2.83Å; L102-I106 HydrophobicContact CD2-CD1 4.31Å; L102-I106 VanDerWaalsContact O-CB 3.32Å; L102-I106 WeakPolarHBondContact O-CB 3.21Å; L102-I106 WeakPolarHBondContact O-CD1 3.41Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 2.92Å
103I30.6Very low28.1Very low73 Ų7396.5 Ų96.537%0.37450%0.496SS..Hα-helixtrans-76-46.2175.6-67.8167.2000110.4F99 D100 S105 I106 E107F99-I103 PolarHBondContact O-N 3.26Å; D100-I103 CarbonylContact O-C 3.6Å; D100-I103 WeakPolarHBondContact O-CA 3.44Å; D100-I103 WeakPolarHBondContact O-CB 3.48Å; D100-I103 PolarHBondContact O-N 3.35Å; I103-S105 PolarHBondContact O-N 2.8Å; I103-I106 CarbonylContact O-C 3.59Å; I103-I106 WeakPolarHBondContact O-CA 3.49Å; I103-I106 VanDerWaalsContact O-CB 3.28Å; I103-I106 WeakPolarHBondContact O-CB 3.38Å; I103-I106 PolarHBondContact O-N 2.69Å; I103-E107 HydrophobicContact CG2-CG 4.25Å; I103-E107 VanDerWaalsContact O-CG 3.24Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 2.8Å
104D32Very low27.9Very low91 Ų9196.2 Ų96.249%0.48750%0.5SS..Hα-helixtrans-65.6-40.1-179.4-74-1.1000111.7D100 I106 E107 I108D100-D104 PolarHBondContact O-N 2.83Å; D104-I106 VanDerWaalsContact C-N 3.26Å; D104-I106 PolarHBondContact O-N 2.81Å; D104-E107 PolarHBondContact O-N 2.71Å; D104-I108 VanDerWaalsContact O-CG1 3.31Å; D104-I108 WeakPolarHBondContact O-CG1 3.24Å; D104-I108 PolarHBondContact O-N 2.82Å
105S26.5Very low28Very low41 Ų4195.9 Ų95.929%0.28750%0.498SS..Hα-helixtrans-69.9-20.317259.10000113.8M88 D101 L102 I103M88-S105 WeakPolarHBondContact CE-OG 3.5Å; D101-S105 VanDerWaalsContact O-CB 3.27Å; D101-S105 WeakPolarHBondContact O-CB 3.2Å; D101-S105 PolarHBondContact O-N 3.37Å; D101-S105 PolarHBondContact O-OG 3.27Å; L102-S105 PolarHBondContact O-OG 2.83Å; I103-S105 PolarHBondContact O-N 2.8Å
106I30.8Very low27.9Very low62 Ų6294.3 Ų94.332%0.31850%0.497SS..Hα-helixtrans-77.2-37.7168.3-83.1168.3000111.3I79 L102 I103 D104I79-I106 HydrophobicContact CD1-CB 4.38Å; I79-I106 HydrophobicContact CD1-CD1 3.77Å; I79-I106 HydrophobicContact CD1-CG1 4.01Å; I79-I106 HydrophobicContact CD1-CG2 3.47Å; I79-I106 VanDerWaalsContact CD1-CG2 3.47Å; I79-I106 HydrophobicContact CG1-CG2 4.24Å; L102-I106 HydrophobicContact CD2-CD1 4.31Å; L102-I106 VanDerWaalsContact O-CB 3.32Å; L102-I106 WeakPolarHBondContact O-CB 3.21Å; L102-I106 WeakPolarHBondContact O-CD1 3.41Å; L102-I106 WeakPolarHBondContact O-CG1 3.32Å; L102-I106 PolarHBondContact O-N 2.92Å; I103-I106 CarbonylContact O-C 3.59Å; I103-I106 WeakPolarHBondContact O-CA 3.49Å; I103-I106 VanDerWaalsContact O-CB 3.28Å; I103-I106 WeakPolarHBondContact O-CB 3.38Å; I103-I106 PolarHBondContact O-N 2.69Å; D104-I106 VanDerWaalsContact C-N 3.26Å; D104-I106 PolarHBondContact O-N 2.81Å
107E33.6Very low27.9Very low96 Ų9692.7 Ų92.745%0.44949%0.494SS..Hα-helixtrans-69.4-43.3-179.5-65.3-107.5104.900111.8I103 D104 N109 K110I103-E107 HydrophobicContact CG2-CG 4.25Å; I103-E107 VanDerWaalsContact O-CG 3.24Å; I103-E107 WeakPolarHBondContact O-CG 3.33Å; I103-E107 PolarHBondContact O-N 2.8Å; D104-E107 PolarHBondContact O-N 2.71Å; E107-N109 VanDerWaalsContact C-N 3.26Å; E107-N109 PolarHBondContact O-N 3.01Å; E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 2.93Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 2.71Å; E107-K110 PolarHBondContact OE1-NZ 3.34Å
108I28.1Very low27.8Very low125 Ų12597.7 Ų97.764%0.64152%0.516SS*.Hα-helixtrans-56.4-36.6-177.3-72.4165.3000112.5D104 K110D104-I108 VanDerWaalsContact O-CG1 3.31Å; D104-I108 WeakPolarHBondContact O-CG1 3.24Å; D104-I108 PolarHBondContact O-N 2.82Å; I108-K110 PolarHBondContact O-N 2.94Å
109N26.2Very low27.8Very low65 Ų65102.4 Ų102.435%0.34854%0.54SS..G310 helixtrans-84.6-0.5-176.8-78.57.8000114.7E84 E107 S111 S112E84-N109 PolarHBondContact OE2-ND2 3.18Å; E107-N109 VanDerWaalsContact C-N 3.26Å; E107-N109 PolarHBondContact O-N 3.01Å; N109-S111 PolarHBondContact O-N 3.12Å; N109-S111 VanDerWaalsContact O-N 3.12Å; N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 3.18Å
110K25.6Very low27.8Very low126 Ų126106.1 Ų106.155%0.54856%0.562SS.*G310 helixtrans-62.4-13.6175.5-74.4178.9175.1174.30114.5E107 I108 S112E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 2.93Å; E107-K110 VanDerWaalsContact O-N 3.12Å; E107-K110 IonicContact OE1-NZ 2.71Å; E107-K110 PolarHBondContact OE1-NZ 3.34Å; I108-K110 PolarHBondContact O-N 2.94Å; K110-S112 PolarHBondContact O-N 3.42Å
111S26Very low27.7Very low119 Ų119107.4 Ų107.483%0.83257%0.573SS**G310 helixtrans-72.32.8170.7620000113.7N109N109-S111 PolarHBondContact O-N 3.12Å; N109-S111 VanDerWaalsContact O-N 3.12Å
112S23.4Very low27.7Very low65 Ų65108.5 Ų108.546%0.45558%0.578SS.*SBendtrans-131.8165.8177.972.50000111.2N109 K110N109-S112 PolarHBondContact O-N 2.91Å; N109-S112 PolarHBondContact O-OG 3.18Å; K110-S112 PolarHBondContact O-N 3.42Å
113I25.5Very low28Very low92 Ų92110 Ų11047%0.47259%0.592SS.*  trans75.552.6-178.9-38.5169.2000114.1N81N81-I113 HydrophobicContact CB-CD1 3.93Å
114N25.7Very low28.2Very low160 Ų160114.9 Ų114.986%0.85661%0.61SS**  trans-79.4103.5147-76.7-20000108.5
115N26.6Very low28.3Very low142 Ų142112.9 Ų112.976%0.75960%0.604SS**  trans179.6127.6159.7-93-29.9000109.1
116I24.1Very low28.8Very low141 Ų141114.2 Ų114.272%0.72361%0.607SS**  trans-114.5-17.7-160.2-73.3173.1000114.4Q118I116-Q118 PolarHBondContact O-N 3.29Å
117D25.6Very low29.2Very low147 Ų147116.3 Ų116.379%0.78662%0.619SS**  trans-9827.9-147.7-51.4-46.1000117.9
118Q26.4Very low29.3Very low194 Ų194117.6 Ų117.691%0.90762%0.624SS**  trans-132.670.5176-69.8-164-4.600114.3I116 I120I116-Q118 PolarHBondContact O-N 3.29Å; Q118-I120 PolarHBondContact O-N 3.15Å
119L27.8Very low29.6Very low153 Ų153113.6 Ų113.680%0.80161%0.607SS**  trans-83.490.9174.5-72.2163.8000112.5
120I27.8Very low30.2Very low154 Ų154115.9 Ų115.979%0.7961%0.612SS**  trans-179.7121140.7-92.5150.1000108.8Q118Q118-I120 PolarHBondContact O-N 3.15Å
121P30.3Very low30.9Very low71 Ų71113.6 Ų113.646%0.46161%0.605SS.*  trans-77.7125.1-179.729.5-33.3000112.4
122N31.6Very low31.5Very low100 Ų100110.9 Ų110.954%0.53558%0.581SS.*  trans-57.7128.5-179.4-178.4-42.1000112.1K124 S125N122-K124 PolarHBondContact O-N 2.99Å; N122-K124 WeakPolarHBondContact OD1-CB 3.11Å; N122-K124 PolarHBondContact OD1-N 2.87Å; N122-S125 WeakPolarHBondContact O-CB 3.24Å; N122-S125 PolarHBondContact O-N 3.48Å; N122-S125 PolarHBondContact O-OG 3.11Å
123P33.1Very low32.3Very low94 Ų94109.6 Ų109.661%0.6157%0.569SS**Hα-helixtrans-62-18.5-173.722.7-33.7000115.3S125 I126 N127P123-S125 VanDerWaalsContact C-N 3.28Å; P123-S125 PolarHBondContact O-N 3.16Å; P123-I126 HydrophobicContact CB-CD1 4.43Å; P123-I126 WeakPolarHBondContact O-CB 3.18Å; P123-I126 PolarHBondContact O-N 2.62Å; P123-N127 PolarHBondContact O-N 3.08Å
124K34.7Very low33Very low174 Ų174107 Ų10776%0.75756%0.556SS**Hα-helixtrans-65.6-30.9171.2-68.1-177.7177.8177.90112.3N122 H128N122-K124 PolarHBondContact O-N 2.99Å; N122-K124 WeakPolarHBondContact OD1-CB 3.11Å; N122-K124 PolarHBondContact OD1-N 2.87Å; K124-H128 PolarHBondContact O-N 3.32Å
125S35.7Very low33.9Very low50 Ų50104 Ų10435%0.3554%0.54SS..Hα-helixtrans-69.6-38.3173.772.10000112.1N122 P123 N127 H128 C129N122-S125 WeakPolarHBondContact O-CB 3.24Å; N122-S125 PolarHBondContact O-N 3.48Å; N122-S125 PolarHBondContact O-OG 3.11Å; P123-S125 VanDerWaalsContact C-N 3.28Å; P123-S125 PolarHBondContact O-N 3.16Å; S125-N127 VanDerWaalsContact C-N 3.35Å; S125-N127 PolarHBondContact O-N 3.42Å; S125-H128 PolarHBondContact O-N 2.82Å; S125-C129 PolarHBondContact O-N 3.4Å; S125-C129 PolarHBondContact O-SG 3.44Å
126I36.5Very low34.4Very low69 Ų69103.3 Ų103.335%0.35453%0.53SS..Hα-helixtrans-58.5-48.2177.4-55.8178.5000109.9P123 H128 C129 Y130 Y215P123-I126 HydrophobicContact CB-CD1 4.43Å; P123-I126 WeakPolarHBondContact O-CB 3.18Å; P123-I126 PolarHBondContact O-N 2.62Å; I126-H128 VanDerWaalsContact C-N 3.29Å; I126-H128 PolarHBondContact O-N 3.01Å; I126-C129 PolarHBondContact O-N 3.42Å; I126-Y130 WeakPolarHBondContact O-CB 3.17Å; I126-Y130 PolarHBondContact O-N 2.95Å; I126-Y215 HydrophobicContact CD1-CD2 4.43Å; I126-Y215 HydrophobicContact CG1-CE2 4.49Å
127N39.4Very low35Very low105 Ų105100.4 Ų100.456%0.56152%0.515SS*.Hα-helixtrans-68.3-29-179-141.4-5.2000112.6P123 S125 N131P123-N127 PolarHBondContact O-N 3.08Å; S125-N127 VanDerWaalsContact C-N 3.35Å; S125-N127 PolarHBondContact O-N 3.42Å; N127-N131 PolarHBondContact O-N 3.03Å; N127-N131 PolarHBondContact O-ND2 3.01Å
128H35.8Very low35.6Very low123 Ų12399.2 Ų99.257%0.56950%0.503SS*.Hα-helixtrans-72-42.1172-161.6-22.8000112.1K124 S125 I126 N131 I132K124-H128 PolarHBondContact O-N 3.32Å; S125-H128 PolarHBondContact O-N 2.82Å; I126-H128 VanDerWaalsContact C-N 3.29Å; I126-H128 PolarHBondContact O-N 3.01Å; H128-N131 PolarHBondContact O-N 3.06Å; H128-I132 WeakPolarHBondContact ND1-CD1 3.28Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 3.09Å
129C34Very low36.3Very low41 Ų4198 Ų9828%0.27750%0.495SS..Hα-helixtrans-63.5-43.3175.2-64.70000111.3S125 I126 N131 I132 I133S125-C129 PolarHBondContact O-N 3.4Å; S125-C129 PolarHBondContact O-SG 3.44Å; I126-C129 PolarHBondContact O-N 3.42Å; C129-N131 VanDerWaalsContact C-N 3.31Å; C129-N131 PolarHBondContact O-N 3.07Å; C129-I132 PolarHBondContact O-N 2.77Å; C129-I132 VanDerWaalsContact O-N 3.14Å; C129-I133 WeakPolarHBondContact O-CB 3.42Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 3.21Å
130Y38.3Very low36.6Very low114 Ų11496.5 Ų96.545%0.44749%0.487SS..Hα-helixtrans-56.6-44.4176.4-164.3-92.2000111.8I126 N134 Q222I126-Y130 WeakPolarHBondContact O-CB 3.17Å; I126-Y130 PolarHBondContact O-N 2.95Å; Y130-N134 PolarHBondContact O-N 2.68Å; Y130-Q222 HydrophobicContact CE2-CG 4.42Å; Y130-Q222 PolarHBondContact OH-NE2 3.37Å
131N41.6Very low37.1Very low77 Ų7792.5 Ų92.541%0.41247%0.467SS..Hα-helixtrans-66.8-39.9174.7-87.3-61.4000113.4N127 H128 C129 N135N127-N131 PolarHBondContact O-N 3.03Å; N127-N131 PolarHBondContact O-ND2 3.01Å; H128-N131 PolarHBondContact O-N 3.06Å; C129-N131 VanDerWaalsContact C-N 3.31Å; C129-N131 PolarHBondContact O-N 3.07Å; N131-N135 WeakPolarHBondContact O-CA 3.44Å; N131-N135 VanDerWaalsContact O-CB 3.28Å; N131-N135 WeakPolarHBondContact O-CB 3.43Å; N131-N135 PolarHBondContact O-N 3.4Å; N131-N135 PolarHBondContact OD1-ND2 3.07Å
132I37.7Very low37.1Very low63 Ų6395.6 Ų95.632%0.32348%0.475SS..Iπ-helixtrans-62.5-50176.1-70.4164.9000110.2H128 C129 K136 L137H128-I132 WeakPolarHBondContact ND1-CD1 3.28Å; H128-I132 WeakPolarHBondContact O-CG1 3.24Å; H128-I132 PolarHBondContact O-N 3.09Å; C129-I132 PolarHBondContact O-N 2.77Å; C129-I132 VanDerWaalsContact O-N 3.14Å; I132-K136 WeakPolarHBondContact O-CA 3.4Å; I132-K136 WeakPolarHBondContact O-CB 3.49Å; I132-K136 PolarHBondContact O-N 3.26Å; I132-K136 VanDerWaalsContact O-N 3.07Å; I132-L137 PolarHBondContact O-N 2.75Å
133I39.4Very low37.2Very low38 Ų3898.9 Ų98.920%0.19548%0.484CS..Iπ-helixtrans-64.1-53.3-176.1-67.3168.3000111C129 L137 K138 F219 L226C129-I133 WeakPolarHBondContact O-CB 3.42Å; C129-I133 WeakPolarHBondContact O-CG1 3.33Å; C129-I133 PolarHBondContact O-N 3.21Å; I133-L137 WeakPolarHBondContact O-CB 3.47Å; I133-K138 PolarHBondContact O-N 3.41Å; I133-F219 HydrophobicContact CD1-CE2 4.22Å; I133-L226 HydrophobicContact CG2-CD1 3.39Å
134N42.2Very low36.9Very low38 Ų38100.8 Ų100.820%0.20349%0.485CS..Iπ-helixtrans-81.7-30.9-174-89.2-62.6000114.8Y130 K138 Q222Y130-N134 PolarHBondContact O-N 2.68Å; N134-K138 VanDerWaalsContact O-CB 3.28Å; N134-K138 WeakPolarHBondContact O-CB 3.02Å; N134-Q222 PolarHBondContact ND2-OE1 3.17Å
135N43.6Very low36.5Very low96 Ų9698.4 Ų98.451%0.51348%0.477SS..Iπ-helixtrans-105.7-27.3-174.3-65.9-34.3000114.8N131 K139N131-N135 WeakPolarHBondContact O-CA 3.44Å; N131-N135 VanDerWaalsContact O-CB 3.28Å; N131-N135 WeakPolarHBondContact O-CB 3.43Å; N131-N135 PolarHBondContact O-N 3.4Å; N131-N135 PolarHBondContact OD1-ND2 3.07Å; N135-K139 WeakPolarHBondContact O-CD 3.38Å; N135-K139 WeakPolarHBondContact O-CG 3.3Å
136K37.9Very low36Very low127 Ų127100 Ų10055%0.55248%0.481SS*.Iπ-helixtrans-99.3-58.5174.6-72.1-171174.3-1750112.2I132 K138 K139 L140I132-K136 WeakPolarHBondContact O-CA 3.4Å; I132-K136 WeakPolarHBondContact O-CB 3.49Å; I132-K136 PolarHBondContact O-N 3.26Å; I132-K136 VanDerWaalsContact O-N 3.07Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.48Å; K136-K139 WeakPolarHBondContact O-CA 3.46Å; K136-K139 PolarHBondContact O-N 3.21Å; K136-L140 HydrophobicContact CB-CD1 4.26Å; K136-L140 WeakPolarHBondContact O-CG 3.21Å; K136-L140 PolarHBondContact O-N 3.22Å
137L36.1Very low35.5Very low80 Ų80101 Ų10142%0.41949%0.485SS..Iπ-helixtrans-58.6-44-174.2-130.6167000111.5I132 I133 K139 L140 I141I132-L137 PolarHBondContact O-N 2.75Å; I133-L137 WeakPolarHBondContact O-CB 3.47Å; L137-K139 PolarHBondContact O-N 2.99Å; L137-L140 PolarHBondContact O-N 3.39Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L137-I141 HydrophobicContact CD2-CD1 3.72Å; L137-I141 HydrophobicContact CD2-CG1 3.98Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.88Å
138K39Very low34.7Very low123 Ų123100 Ų10054%0.53548%0.475SS..Hα-helixtrans-64-17.9174.2-161.9-178.9177.2-174.30115.4I133 N134 K136I133-K138 PolarHBondContact O-N 3.41Å; N134-K138 VanDerWaalsContact O-CB 3.28Å; N134-K138 WeakPolarHBondContact O-CB 3.02Å; K136-K138 VanDerWaalsContact C-N 3.32Å; K136-K138 PolarHBondContact O-N 3.48Å
139K40.6Very low34.2Very low167 Ų167100.4 Ų100.473%0.72648%0.475SS*.Hα-helixtrans-94.1-31.4171.3-73.5-171.6177.7-1750112.6N135 K136 L137N135-K139 WeakPolarHBondContact O-CD 3.38Å; N135-K139 WeakPolarHBondContact O-CG 3.3Å; K136-K139 WeakPolarHBondContact O-CA 3.46Å; K136-K139 PolarHBondContact O-N 3.21Å; L137-K139 PolarHBondContact O-N 2.99Å
140L34.2Very low33.7Very low123 Ų123101.4 Ų101.464%0.64448%0.477SS*.Hα-helixtrans-79.4-26.1-177.3-71.2166.6000113.1K136 L137 H142K136-L140 HydrophobicContact CB-CD1 4.26Å; K136-L140 WeakPolarHBondContact O-CG 3.21Å; K136-L140 PolarHBondContact O-N 3.22Å; L137-L140 PolarHBondContact O-N 3.39Å; L137-L140 VanDerWaalsContact O-N 3.16Å; L140-H142 PolarHBondContact O-N 2.98Å
141I37.5Very low33.1Very low70 Ų70100.8 Ų100.836%0.35948%0.481SS..SBendtrans-69.185.6167.8-62166.6000108.4L137 F230L137-I141 HydrophobicContact CD2-CD1 3.72Å; L137-I141 HydrophobicContact CD2-CG1 3.98Å; L137-I141 WeakPolarHBondContact O-CG1 3.46Å; L137-I141 PolarHBondContact O-N 2.88Å; I141-F230 HydrophobicContact CG2-CD2 4.18Å; I141-F230 HydrophobicContact CG2-CE2 3.76Å
142H30.4Very low32.4Very low135 Ų135100 Ų10063%0.62548%0.48SS*.  trans-68.3150.7175.4-109.4-113.2000111.2L140 E144 Q145L140-H142 PolarHBondContact O-N 2.98Å; H142-E144 PolarHBondContact O-N 2.87Å; H142-Q145 PolarHBondContact O-N 2.83Å
143K33.1Very low32.2Very low169 Ų16998.9 Ų98.974%0.73547%0.474SS*.THydrogen-bonded Turntrans-62.41.2-166.9-83.4-179.8174177.50116.9K237K143-K237 WeakPolarHBondContact O-CD 3.44Å; K143-K237 WeakPolarHBondContact O-CE 3Å; K143-K237 PolarHBondContact O-NZ 3.19Å
144E27.6Very low31.8Very low135 Ų135102.5 Ų102.563%0.63149%0.49SS*.THydrogen-bonded Turntrans-127.7-9-176-82.994.5-122.400115.6H142 I146 K237H142-E144 PolarHBondContact O-N 2.87Å; E144-I146 PolarHBondContact O-N 3.35Å; E144-K237 IonicContact OE1-NZ 3.46Å; E144-K237 PolarHBondContact OE1-NZ 3.11Å
145Q26.5Very low31.2Very low124 Ų124103.9 Ų103.958%0.57950%0.497SS*.  trans-80109.9-176.2-76.2-177.9-27.600112.5H142 M147H142-Q145 PolarHBondContact O-N 2.83Å; Q145-M147 PolarHBondContact O-N 2.81Å
146I24.6Very low30.5Very low84 Ų84102.9 Ų102.943%0.43149%0.491SS..  trans-83.7108.1173.3-57.3175.2000109.3E144 K148 F241E144-I146 PolarHBondContact O-N 3.35Å; I146-K148 PolarHBondContact O-N 2.9Å; I146-F241 HydrophobicContact CG2-CZ 4.41Å
147M25.5Very low30.2Very low89 Ų8998.8 Ų98.844%0.43848%0.475SS..  trans-74.2114.1163.3-74-76.6-74.500109F99 Q145 F149F99-M147 HydrophobicContact CD2-CE 4.11Å; Q145-M147 PolarHBondContact O-N 2.81Å; M147-F149 HydrophobicContact CB-CE2 4.38Å; M147-F149 PolarHBondContact O-N 3.3Å
148K23.7Very low30Very low85 Ų85102.6 Ų102.637%0.3749%0.485SS..PPolyproline II helixtrans-70.2119.3166.4-79.1-177.8-176.8176.20108.3L98 I146 L248 E251L98-K148 HydrophobicContact CD2-CB 3.65Å; L98-K148 HydrophobicContact CD2-CD 4.07Å; L98-K148 HydrophobicContact CD2-CG 4.5Å; I146-K148 PolarHBondContact O-N 2.9Å; K148-L248 HydrophobicContact CD-CD2 4.21Å; K148-E251 IonicContact NZ-OE1 3.81Å; K148-E251 PolarHBondContact NZ-OE1 3.3Å; K148-E251 IonicContact NZ-OE2 3.42Å; K148-E251 PolarHBondContact NZ-OE2 3.22Å
149F24.6Very low29.6Very low130 Ų13099.7 Ų99.757%0.5747%0.473SS*.PPolyproline II helixtrans-98125.7165.6-83.5-91.8000108.7F99 M147F99-F149 HydrophobicContact CB-CD1 4.44Å; F99-F149 HydrophobicContact CD1-CE1 4.41Å; F99-F149 AromaticContact CD2-CD1 3.83Å; F99-F149 HydrophobicContact CD2-CD1 3.83Å; F99-F149 AromaticContact CD2-CE1 3.39Å; F99-F149 HydrophobicContact CD2-CE1 3.39Å; F99-F149 AromaticContact CD2-CZ 3.84Å; F99-F149 HydrophobicContact CD2-CZ 3.84Å; F99-F149 HydrophobicContact CE1-CE1 4.36Å; F99-F149 HydrophobicContact CE2-CD1 4.23Å; F99-F149 AromaticContact CE2-CE1 3.34Å; F99-F149 HydrophobicContact CE2-CE1 3.34Å; F99-F149 AromaticContact CE2-CZ 3.66Å; F99-F149 HydrophobicContact CE2-CZ 3.66Å; F99-F149 HydrophobicContact CG-CD1 4.01Å; F99-F149 AromaticContact CG-CE1 3.95Å; F99-F149 HydrophobicContact CG-CE1 3.95Å; F99-F149 AromaticContact CZ-CE1 3.86Å; F99-F149 HydrophobicContact CZ-CE1 3.86Å; F99-F149 HydrophobicContact CZ-CZ 4.47Å; M147-F149 HydrophobicContact CB-CE2 4.38Å; M147-F149 PolarHBondContact O-N 3.3Å
150I23.9Very low29.2Very low62 Ų6294.5 Ų94.532%0.31846%0.455SS..PPolyproline II helixtrans-101.5151.1168.1-67.1172.7000107.6L98 D100L98-I150 HydrophobicContact CD2-CD1 4.26Å; D100-I150 WeakPolarHBondContact OD2-CB 3.46Å; D100-I150 VanDerWaalsContact OD2-CD1 3.24Å; D100-I150 WeakPolarHBondContact OD2-CD1 3.48Å; D100-I150 WeakPolarHBondContact OD2-CG2 3.42Å
151I26.2Very low29.1Very low102 Ų10292.3 Ų92.352%0.52344%0.444SS..  trans-132.8120.6-175.2-60177.2000108.2I153I151-I153 PolarHBondContact O-N 2.97Å
152P27Very low28.7Very low61 Ų6193.6 Ų93.640%0.39645%0.451SS..  trans-59107.4175.1-27.436.4000112.1H154 I155P152-H154 PolarHBondContact O-N 2.75Å; P152-I155 WeakPolarHBondContact O-CB 3.31Å; P152-I155 PolarHBondContact O-N 3.17Å; P152-I155 VanDerWaalsContact O-N 3.15Å
153I32.3Very low28.8Very low39 Ų3990.7 Ų90.720%0.245%0.446CS..Hα-helixtrans-75.3-6.7-168.8-89.2163.2000113.8I151 I155 L156 N157 N685I151-I153 PolarHBondContact O-N 2.97Å; I153-I155 PolarHBondContact O-N 2.83Å; I153-L156 HydrophobicContact CB-CB 4.27Å; I153-L156 HydrophobicContact CG1-CB 3.93Å; I153-L156 HydrophobicContact CG1-CD2 3.98Å; I153-L156 HydrophobicContact CG2-CB 4.46Å; I153-L156 CarbonylContact O-C 3.52Å; I153-L156 PolarHBondContact O-N 3.22Å; I153-L156 VanDerWaalsContact O-N 3.15Å; I153-N157 VanDerWaalsContact CG2-ND2 3.33Å; I153-N157 WeakPolarHBondContact CG2-ND2 3.5Å; I153-N157 WeakPolarHBondContact O-CB 3.29Å; I153-N157 VanDerWaalsContact O-CG 3.29Å; I153-N157 PolarHBondContact O-N 3.1Å; I153-N157 PolarHBondContact O-ND2 2.93Å; I153-N685 HydrophobicContact CB-CB 3.72Å; I153-N685 HydrophobicContact CD1-CB 3.55Å; I153-N685 HydrophobicContact CG1-CB 4.2Å; I153-N685 HydrophobicContact CG2-CB 3.69Å; I153-N685 WeakPolarHBondContact CG2-O 3.45Å
154H30.7Very low28.7Very low113 Ų11385.6 Ų85.652%0.52343%0.427SS..Hα-helixtrans-60.8-35.9166.370.5-102.1000111.6P152 N157 Y158P152-H154 PolarHBondContact O-N 2.75Å; H154-N157 PolarHBondContact O-N 3.4Å; H154-Y158 PolarHBondContact O-N 2.83Å
155I29.3Very low28.9Very low68 Ų6888.1 Ų88.135%0.34944%0.435SS..Hα-helixtrans-66.3-44.7172.5-53.7179.2000109.7P152 I153 N157 Y158 F159P152-I155 WeakPolarHBondContact O-CB 3.31Å; P152-I155 PolarHBondContact O-N 3.17Å; P152-I155 VanDerWaalsContact O-N 3.15Å; I153-I155 PolarHBondContact O-N 2.83Å; I155-N157 VanDerWaalsContact C-N 3.33Å; I155-N157 PolarHBondContact O-N 2.91Å; I155-Y158 PolarHBondContact O-N 3.21Å; I155-F159 HydrophobicContact CG2-CD2 4.03Å; I155-F159 HydrophobicContact CG2-CE2 4.08Å; I155-F159 WeakPolarHBondContact O-CD2 3.44Å; I155-F159 PolarHBondContact O-N 2.97Å; I155-F159 VanDerWaalsContact O-N 3.15Å
156L30Very low29.1Very low74 Ų7487.6 Ų87.639%0.38744%0.435SS..Hα-helixtrans-61.6-41.3178.2-148.282000111.8I153 F159 T160I153-L156 HydrophobicContact CB-CB 4.27Å; I153-L156 HydrophobicContact CG1-CB 3.93Å; I153-L156 HydrophobicContact CG1-CD2 3.98Å; I153-L156 HydrophobicContact CG2-CB 4.46Å; I153-L156 CarbonylContact O-C 3.52Å; I153-L156 PolarHBondContact O-N 3.22Å; I153-L156 VanDerWaalsContact O-N 3.15Å; L156-F159 PolarHBondContact O-N 3.1Å; L156-T160 WeakPolarHBondContact O-CG2 3.27Å; L156-T160 PolarHBondContact O-N 3.33Å; L156-T160 PolarHBondContact O-OG1 2.93Å
157N30.8Very low29.7Very low42 Ų4290.1 Ų90.123%0.22545%0.45CS..Hα-helixtrans-66-39.2177.3-76.5-44.9000112.3I153 H154 I155 T160 N161I153-N157 VanDerWaalsContact CG2-ND2 3.33Å; I153-N157 WeakPolarHBondContact CG2-ND2 3.5Å; I153-N157 WeakPolarHBondContact O-CB 3.29Å; I153-N157 VanDerWaalsContact O-CG 3.29Å; I153-N157 PolarHBondContact O-N 3.1Å; I153-N157 PolarHBondContact O-ND2 2.93Å; H154-N157 PolarHBondContact O-N 3.4Å; I155-N157 VanDerWaalsContact C-N 3.33Å; I155-N157 PolarHBondContact O-N 2.91Å; N157-T160 VanDerWaalsContact CA-OG1 3.29Å; N157-T160 WeakPolarHBondContact CA-OG1 3.35Å; N157-T160 PolarHBondContact O-N 3.23Å; N157-T160 PolarHBondContact O-OG1 3.35Å; N157-T160 VanDerWaalsContact O-OG1 3.06Å; N157-N161 WeakPolarHBondContact O-CB 3.41Å; N157-N161 VanDerWaalsContact O-CG 3.27Å; N157-N161 PolarHBondContact O-N 3.17Å
158Y33.7Very low30Very low159 Ų15989.7 Ų89.762%0.62445%0.449SS*.Hα-helixtrans-61.7-45.8176.2-162.3-93000111H154 I155 N161 L162H154-Y158 PolarHBondContact O-N 2.83Å; I155-Y158 PolarHBondContact O-N 3.21Å; Y158-N161 PolarHBondContact O-N 3.38Å; Y158-L162 HydrophobicContact CD1-CD1 4.15Å; Y158-L162 HydrophobicContact CE1-CD1 4.16Å; Y158-L162 PolarHBondContact O-N 2.94Å
159F29.6Very low30.5Very low63 Ų6391.1 Ų91.128%0.27646%0.46SS..Hα-helixtrans-76.3-29.1177.2-77.3-73.7000114.5E67 I155 L156 N161 L162 S163E67-F159 WeakPolarHBondContact OE1-CZ 3.35Å; E67-F159 WeakPolarHBondContact OE2-CE1 3.4Å; I155-F159 HydrophobicContact CG2-CD2 4.03Å; I155-F159 HydrophobicContact CG2-CE2 4.08Å; I155-F159 WeakPolarHBondContact O-CD2 3.44Å; I155-F159 PolarHBondContact O-N 2.97Å; I155-F159 VanDerWaalsContact O-N 3.15Å; L156-F159 PolarHBondContact O-N 3.1Å; F159-N161 VanDerWaalsContact C-N 3.34Å; F159-L162 HydrophobicContact CD1-CD1 3.98Å; F159-L162 HydrophobicContact CE1-CD1 4.24Å; F159-L162 PolarHBondContact O-N 3.15Å; F159-S163 PolarHBondContact O-N 3.31Å
160T31.4Very low31Very low58 Ų5893.3 Ų93.336%0.35647%0.465SS..Hα-helixtrans-66.6-38.3170.848.90000111.3L156 N157 L162 S163 L164L156-T160 WeakPolarHBondContact O-CG2 3.27Å; L156-T160 PolarHBondContact O-N 3.33Å; L156-T160 PolarHBondContact O-OG1 2.93Å; N157-T160 VanDerWaalsContact CA-OG1 3.29Å; N157-T160 WeakPolarHBondContact CA-OG1 3.35Å; N157-T160 PolarHBondContact O-N 3.23Å; N157-T160 PolarHBondContact O-OG1 3.35Å; N157-T160 VanDerWaalsContact O-OG1 3.06Å; T160-L162 PolarHBondContact O-N 3.28Å; T160-S163 WeakPolarHBondContact CA-OG 3.5Å; T160-S163 CarbonylContact O-C 3.56Å; T160-S163 WeakPolarHBondContact O-CA 3.29Å; T160-S163 WeakPolarHBondContact O-CB 3.45Å; T160-S163 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-OG 3.3Å; T160-L164 PolarHBondContact O-N 3.46Å; T160-L164 VanDerWaalsContact O-N 3.11Å
161N32.2Very low31.5Very low76 Ų7693.2 Ų93.241%0.40647%0.468SS..Hα-helixtrans-61.9-41.3175-73.9-6.7000112.1N157 Y158 F159 S163 L164N157-N161 WeakPolarHBondContact O-CB 3.41Å; N157-N161 VanDerWaalsContact O-CG 3.27Å; N157-N161 PolarHBondContact O-N 3.17Å; Y158-N161 PolarHBondContact O-N 3.38Å; F159-N161 VanDerWaalsContact C-N 3.34Å; N161-S163 PolarHBondContact O-N 3.37Å; N161-L164 PolarHBondContact O-N 3.39Å
162L30.5Very low32Very low98 Ų9893.3 Ų93.351%0.51347%0.465SS..Hα-helixtrans-62.9-19.9171.2-78.1165000113.9Y158 F159 T160Y158-L162 HydrophobicContact CD1-CD1 4.15Å; Y158-L162 HydrophobicContact CE1-CD1 4.16Å; Y158-L162 PolarHBondContact O-N 2.94Å; F159-L162 HydrophobicContact CD1-CD1 3.98Å; F159-L162 HydrophobicContact CE1-CD1 4.24Å; F159-L162 PolarHBondContact O-N 3.15Å; T160-L162 PolarHBondContact O-N 3.28Å
163S32Very low32.4Very low74 Ų7494.3 Ų94.352%0.51747%0.466SS..Hα-helixtrans-96.1-7.2177.979.50000114.5F159 T160 N161F159-S163 PolarHBondContact O-N 3.31Å; T160-S163 WeakPolarHBondContact CA-OG 3.5Å; T160-S163 CarbonylContact O-C 3.56Å; T160-S163 WeakPolarHBondContact O-CA 3.29Å; T160-S163 WeakPolarHBondContact O-CB 3.45Å; T160-S163 PolarHBondContact O-N 3.08Å; T160-S163 PolarHBondContact O-OG 3.3Å; N161-S163 PolarHBondContact O-N 3.37Å
164L30.8Very low32.9Very low62 Ų6296.7 Ų96.733%0.32548%0.479SS..SBendtrans-73.1144.9172.4-70.7174.3000109.6T160 N161 I166 W742 L743T160-L164 PolarHBondContact O-N 3.46Å; T160-L164 VanDerWaalsContact O-N 3.11Å; N161-L164 PolarHBondContact O-N 3.39Å; L164-I166 PolarHBondContact O-N 2.98Å; L164-W742 HydrophobicContact CD1-CZ3 4.15Å; L164-L743 HydrophobicContact CD2-CD1 4.34Å
165K31.8Very low33.1Very low188 Ų18895.1 Ų95.182%0.81748%0.478SS*.  trans-72.178.5174.8-74.5-169.1172.7-167.70111.1N167K165-N167 VanDerWaalsContact C-N 3.32Å; K165-N167 PolarHBondContact O-N 3.38Å; K165-N167 VanDerWaalsContact O-N 3.11Å
166I31.1Very low33.5Very low112 Ų11296.2 Ų96.257%0.57448%0.481SS*.  trans-70.497.5156-58.2175.2000105.2L164 D168 T171L164-I166 PolarHBondContact O-N 2.98Å; I166-D168 HydrophobicContact CG2-CB 4.5Å; I166-D168 PolarHBondContact O-N 3.08Å; I166-D168 VanDerWaalsContact O-N 3.16Å; I166-T171 WeakPolarHBondContact CG2-OG1 3.32Å
167N36.6Very low33.9Very low138 Ų13899.2 Ų99.274%0.73849%0.491SS*.  trans-65.3-14.7-174.5-79.5-10.9000113.2K165 I169K165-N167 VanDerWaalsContact C-N 3.32Å; K165-N167 PolarHBondContact O-N 3.38Å; K165-N167 VanDerWaalsContact O-N 3.11Å; N167-I169 PolarHBondContact O-N 3.18Å; N167-I169 VanDerWaalsContact O-N 3.16Å
168D32.1Very low34.3Very low80 Ų80102.1 Ų102.143%0.42851%0.506SS..  trans-81.789.8175.9-167.2-18.2000111I166 Y170 T171I166-D168 HydrophobicContact CG2-CB 4.5Å; I166-D168 PolarHBondContact O-N 3.08Å; I166-D168 VanDerWaalsContact O-N 3.16Å; D168-Y170 PolarHBondContact O-N 2.83Å; D168-Y170 WeakPolarHBondContact OD1-CB 3.39Å; D168-Y170 PolarHBondContact OD1-N 3.28Å; D168-Y170 VanDerWaalsContact OD1-N 3.16Å; D168-T171 HydrophobicContact CB-CG2 4.05Å; D168-T171 PolarHBondContact O-N 2.89Å; D168-T171 VanDerWaalsContact O-N 3.13Å; D168-T171 PolarHBondContact O-OG1 3.45Å
169I33.4Very low34.3Very low115 Ų11599.5 Ų99.559%0.5950%0.503SS*.Hα-helixtrans-56.9-29.6-179.8-65.3173.1000111.8N167 K172 L173N167-I169 PolarHBondContact O-N 3.18Å; N167-I169 VanDerWaalsContact O-N 3.16Å; I169-K172 PolarHBondContact O-N 3.34Å; I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.37Å; I169-L173 PolarHBondContact O-N 3.16Å
170Y35.1Very low34.7Very low175 Ų175101 Ų10169%0.68651%0.513SS*.Hα-helixtrans-65.6-42.2178.5-61.4-77.7000111.4D168 K172 L173 D174D168-Y170 PolarHBondContact O-N 2.83Å; D168-Y170 WeakPolarHBondContact OD1-CB 3.39Å; D168-Y170 PolarHBondContact OD1-N 3.28Å; D168-Y170 VanDerWaalsContact OD1-N 3.16Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.05Å; Y170-L173 PolarHBondContact O-N 3.08Å; Y170-D174 PolarHBondContact O-N 2.81Å
171T34.5Very low35Very low61 Ų61101.9 Ų101.937%0.37452%0.518SS..Hα-helixtrans-61.1-36.2175.266.70000112.5I166 D168 T175I166-T171 WeakPolarHBondContact CG2-OG1 3.32Å; D168-T171 HydrophobicContact CB-CG2 4.05Å; D168-T171 PolarHBondContact O-N 2.89Å; D168-T171 VanDerWaalsContact O-N 3.13Å; D168-T171 PolarHBondContact O-OG1 3.45Å; T171-T175 WeakPolarHBondContact O-CG2 3.37Å; T171-T175 PolarHBondContact O-N 3.21Å; T171-T175 PolarHBondContact O-OG1 3.28Å
172K36.4Very low35.2Very low104 Ų104104.5 Ų104.545%0.45253%0.526SS..Hα-helixtrans-65.7-50.9175.3-172.4176-177.1-76.30110.9I169 Y170 D174 T175 E176I169-K172 PolarHBondContact O-N 3.34Å; Y170-K172 VanDerWaalsContact C-N 3.27Å; Y170-K172 PolarHBondContact O-N 3.05Å; K172-D174 VanDerWaalsContact C-N 3.29Å; K172-D174 PolarHBondContact O-N 3.43Å; K172-T175 PolarHBondContact O-N 2.86Å; K172-T175 PolarHBondContact O-OG1 3.33Å; K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 IonicContact NZ-OE1 3.94Å; K172-E176 PolarHBondContact NZ-OE1 3.49Å; K172-E176 PolarHBondContact O-N 2.99Å
173L37.2Very low35.3Very low81 Ų81104 Ų10442%0.42452%0.523SS..Hα-helixtrans-56.9-40176.5-75.3168.3000112.5I169 Y170 E176 K177I169-L173 HydrophobicContact CG2-CD1 4.01Å; I169-L173 HydrophobicContact CG2-CG 4.37Å; I169-L173 PolarHBondContact O-N 3.16Å; Y170-L173 PolarHBondContact O-N 3.08Å; L173-E176 PolarHBondContact O-N 2.94Å; L173-K177 WeakPolarHBondContact O-CB 3.48Å; L173-K177 WeakPolarHBondContact O-CG 3.33Å; L173-K177 PolarHBondContact O-N 3.09Å
174D40.9Very low35.3Very low90 Ų90108.6 Ų108.648%0.48153%0.529SS..Hα-helixtrans-71.2-36.2178-77-21.6000112.6Y170 K172 L178Y170-D174 PolarHBondContact O-N 2.81Å; K172-D174 VanDerWaalsContact C-N 3.29Å; K172-D174 PolarHBondContact O-N 3.43Å; D174-L178 VanDerWaalsContact O-CB 3.25Å; D174-L178 WeakPolarHBondContact O-CB 3.42Å; D174-L178 PolarHBondContact O-N 2.96Å
175T36.5Very low35.5Very low80 Ų80110.3 Ų110.349%0.49154%0.538SS..Hα-helixtrans-65.8-39171.658.40000112.7T171 K172 L178 L179T171-T175 WeakPolarHBondContact O-CG2 3.37Å; T171-T175 PolarHBondContact O-N 3.21Å; T171-T175 PolarHBondContact O-OG1 3.28Å; K172-T175 PolarHBondContact O-N 2.86Å; K172-T175 PolarHBondContact O-OG1 3.33Å; T175-L178 PolarHBondContact O-N 2.92Å; T175-L179 WeakPolarHBondContact O-CB 3.13Å; T175-L179 PolarHBondContact O-N 3.35Å
176E36.7Very low35.5Very low91 Ų91106.7 Ų106.743%0.42552%0.522SS..Hα-helixtrans-67.3-45.3175.8-72.6174.3-169.900111.1K172 L173 L178 L179 L180K172-E176 WeakPolarHBondContact CE-OE1 3.49Å; K172-E176 IonicContact NZ-OE1 3.94Å; K172-E176 PolarHBondContact NZ-OE1 3.49Å; K172-E176 PolarHBondContact O-N 2.99Å; L173-E176 PolarHBondContact O-N 2.94Å; E176-L178 PolarHBondContact O-N 2.85Å; E176-L179 PolarHBondContact O-N 2.94Å; E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 2.99Å
177K39.6Very low35.6Very low137 Ų137107 Ų10760%0.59652%0.523SS*.Hα-helixtrans-57.4-44.9171.3-81.6178.1177.8172.50112.1L173 L179 L180 T181L173-K177 WeakPolarHBondContact O-CB 3.48Å; L173-K177 WeakPolarHBondContact O-CG 3.33Å; L173-K177 PolarHBondContact O-N 3.09Å; K177-L179 PolarHBondContact O-N 3.19Å; K177-L180 PolarHBondContact O-N 3.03Å; K177-T181 VanDerWaalsContact O-CB 3.27Å; K177-T181 WeakPolarHBondContact O-CB 3.29Å; K177-T181 PolarHBondContact O-N 2.7Å; K177-T181 PolarHBondContact O-OG1 2.82Å
178L38.2Very low35.4Very low103 Ų103107.6 Ų107.654%0.53952%0.519SS..Hα-helixtrans-63.2-42179.6-168.880.5000111.3D174 T175 E176 K182D174-L178 VanDerWaalsContact O-CB 3.25Å; D174-L178 WeakPolarHBondContact O-CB 3.42Å; D174-L178 PolarHBondContact O-N 2.96Å; T175-L178 PolarHBondContact O-N 2.92Å; E176-L178 PolarHBondContact O-N 2.85Å; L178-K182 WeakPolarHBondContact O-CB 3.38Å; L178-K182 WeakPolarHBondContact O-CG 3.31Å; L178-K182 PolarHBondContact O-N 3.24Å
179L34.6Very low35.3Very low104 Ų104109.5 Ų109.555%0.54553%0.525SS..Hα-helixtrans-63.5-48.7176.6-162.694.2000111.1T175 E176 K177 T181 K182 I183T175-L179 WeakPolarHBondContact O-CB 3.13Å; T175-L179 PolarHBondContact O-N 3.35Å; E176-L179 PolarHBondContact O-N 2.94Å; K177-L179 PolarHBondContact O-N 3.19Å; L179-T181 VanDerWaalsContact C-N 3.3Å; L179-T181 PolarHBondContact O-N 3.06Å; L179-K182 PolarHBondContact O-N 2.88Å; L179-K182 VanDerWaalsContact O-N 3.15Å; L179-I183 HydrophobicContact CD2-CD1 4.11Å; L179-I183 HydrophobicContact CG-CD1 4.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 2.83Å
180L36.7Very low35.2Very low94 Ų94106.6 Ų106.649%0.49252%0.515SS..Hα-helixtrans-66.4-33.4-178.5-144.8146.4000111.7E176 K177 R184E176-L180 WeakPolarHBondContact O-CB 3.37Å; E176-L180 PolarHBondContact O-N 2.99Å; K177-L180 PolarHBondContact O-N 3.03Å; L180-R184 WeakPolarHBondContact O-CB 3.35Å; L180-R184 WeakPolarHBondContact O-CG 3.39Å; L180-R184 PolarHBondContact O-N 2.8Å
181T38.9Very low34.9Very low76 Ų76103.8 Ų103.847%0.46651%0.512SS..Hα-helixtrans-68.6-41.2172-55.20000111.8K177 L179 R184 L185K177-T181 VanDerWaalsContact O-CB 3.27Å; K177-T181 WeakPolarHBondContact O-CB 3.29Å; K177-T181 PolarHBondContact O-N 2.7Å; K177-T181 PolarHBondContact O-OG1 2.82Å; L179-T181 VanDerWaalsContact C-N 3.3Å; L179-T181 PolarHBondContact O-N 3.06Å; T181-R184 PolarHBondContact O-N 3.19Å; T181-L185 HydrophobicContact CG2-CD1 4.31Å; T181-L185 WeakPolarHBondContact O-CG 3.16Å; T181-L185 PolarHBondContact O-N 3.21Å
182K34.6Very low34.6Very low132 Ų132108.3 Ų108.357%0.57453%0.528SS*.Hα-helixtrans-65-40.2174-77178.7177.4-175.50112.7L178 L179 L185 K186L178-K182 WeakPolarHBondContact O-CB 3.38Å; L178-K182 WeakPolarHBondContact O-CG 3.31Å; L178-K182 PolarHBondContact O-N 3.24Å; L179-K182 PolarHBondContact O-N 2.88Å; L179-K182 VanDerWaalsContact O-N 3.15Å; K182-L185 PolarHBondContact O-N 3.14Å; K182-K186 PolarHBondContact O-N 3.42Å
183I33.1Very low34.2Very low86 Ų86108.8 Ų108.844%0.44154%0.54SS..Hα-helixtrans-62.5-46.3174-67.9164.8000110.2L179 L185 K186 M187L179-I183 HydrophobicContact CD2-CD1 4.11Å; L179-I183 HydrophobicContact CG-CD1 4.22Å; L179-I183 WeakPolarHBondContact O-CG1 3.42Å; L179-I183 PolarHBondContact O-N 2.83Å; I183-L185 VanDerWaalsContact C-N 3.3Å; I183-L185 PolarHBondContact O-N 3.02Å; I183-K186 PolarHBondContact O-N 3.46Å; I183-M187 HydrophobicContact CG2-CE 4.26Å; I183-M187 HydrophobicContact CG2-SD 4.4Å; I183-M187 WeakPolarHBondContact O-CB 3.43Å; I183-M187 WeakPolarHBondContact O-CG 3.5Å; I183-M187 PolarHBondContact O-N 3.22Å
184R32.8Very low34.1Very low172 Ų172109.7 Ų109.765%0.64955%0.549SS*.Hα-helixtrans-60.4-35.5174-79.9176.8165.8173.2-4.2113L180 T181 K188L180-R184 WeakPolarHBondContact O-CB 3.35Å; L180-R184 WeakPolarHBondContact O-CG 3.39Å; L180-R184 PolarHBondContact O-N 2.8Å; T181-R184 PolarHBondContact O-N 3.19Å; R184-K188 PolarHBondContact O-N 2.93Å
185L35.5Very low33.5Very low98 Ų98111.6 Ų111.651%0.51356%0.559SS.*Hα-helixtrans-68.6-48.5175.3-77166.4000112.2T181 K182 I183 M187 K188 Q189T181-L185 HydrophobicContact CG2-CD1 4.31Å; T181-L185 WeakPolarHBondContact O-CG 3.16Å; T181-L185 PolarHBondContact O-N 3.21Å; K182-L185 PolarHBondContact O-N 3.14Å; I183-L185 VanDerWaalsContact C-N 3.3Å; I183-L185 PolarHBondContact O-N 3.02Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 3.3Å; L185-K188 PolarHBondContact O-N 2.83Å; L185-Q189 WeakPolarHBondContact O-CG 3.26Å; L185-Q189 PolarHBondContact O-N 3.24Å
186K31.3Very low32.9Very low112 Ų112114.8 Ų114.849%0.48757%0.573SS.*Hα-helixtrans-65-33.7174.9-77.2-132.8173-168.60112.5K182 I183 Q189 S190 D282K182-K186 PolarHBondContact O-N 3.42Å; I183-K186 PolarHBondContact O-N 3.46Å; K186-Q189 PolarHBondContact O-N 3.38Å; K186-S190 PolarHBondContact O-N 2.68Å; K186-S190 PolarHBondContact O-OG 2.84Å; K186-D282 WeakPolarHBondContact CE-OD2 3.41Å; K186-D282 IonicContact NZ-OD1 2.62Å; K186-D282 PolarHBondContact NZ-OD1 3.37Å; K186-D282 IonicContact NZ-OD2 2.65Å; K186-D282 PolarHBondContact NZ-OD2 2.89Å
187M32Very low32.4Very low118 Ų118118.4 Ų118.458%0.58159%0.59SS**Hα-helixtrans-65.7-37.4171.1-77.7-172.1172.400113.4I183 L185 S190 N191I183-M187 HydrophobicContact CG2-CE 4.26Å; I183-M187 HydrophobicContact CG2-SD 4.4Å; I183-M187 WeakPolarHBondContact O-CB 3.43Å; I183-M187 WeakPolarHBondContact O-CG 3.5Å; I183-M187 PolarHBondContact O-N 3.22Å; L185-M187 VanDerWaalsContact C-N 3.33Å; L185-M187 PolarHBondContact O-N 3.3Å; M187-S190 WeakPolarHBondContact CA-OG 3.25Å; M187-S190 PolarHBondContact O-OG 3.17Å; M187-N191 WeakPolarHBondContact O-CB 3Å; M187-N191 VanDerWaalsContact O-CG 3.26Å; M187-N191 PolarHBondContact O-N 2.85Å; M187-N191 PolarHBondContact O-OD1 3.36Å
188K33.1Very low31.6Very low151 Ų151116.9 Ų116.966%0.65759%0.592SS**Hα-helixtrans-67.8-38.5172.3-82.2-168.7171.6-169.80111.8R184 L185 H192R184-K188 PolarHBondContact O-N 2.93Å; L185-K188 PolarHBondContact O-N 2.83Å; K188-H192 PolarHBondContact O-CD2 3.31Å; K188-H192 VanDerWaalsContact O-CD2 3.28Å; K188-H192 PolarHBondContact O-N 2.93Å
189Q30.7Very low30.9Very low120 Ų120117.8 Ų117.856%0.56160%0.602SS**Hα-helixtrans-64-47.8175.3-72.8172.9-38.600111.5L185 K186 N191 H192 T193L185-Q189 WeakPolarHBondContact O-CG 3.26Å; L185-Q189 PolarHBondContact O-N 3.24Å; K186-Q189 PolarHBondContact O-N 3.38Å; Q189-N191 VanDerWaalsContact C-N 3.3Å; Q189-N191 PolarHBondContact O-N 2.78Å; Q189-H192 PolarHBondContact O-N 3.03Å; Q189-H192 VanDerWaalsContact O-N 3.1Å; Q189-T193 PolarHBondContact O-N 2.67Å; Q189-T193 VanDerWaalsContact O-N 3.14Å; Q189-T193 PolarHBondContact O-OG1 3.44Å
190S30.3Very low30.4Very low54 Ų54120 Ų12038%0.37861%0.614SS.*Hα-helixtrans-59-40.3178.960.40000112.7K186 M187 H192 T193K186-S190 PolarHBondContact O-N 2.68Å; K186-S190 PolarHBondContact O-OG 2.84Å; M187-S190 WeakPolarHBondContact CA-OG 3.25Å; M187-S190 PolarHBondContact O-OG 3.17Å; S190-H192 VanDerWaalsContact C-N 3.29Å; S190-H192 PolarHBondContact O-N 3.12Å; S190-T193 WeakPolarHBondContact CA-OG1 3.5Å; S190-T193 PolarHBondContact O-N 3.47Å; S190-T193 PolarHBondContact O-OG1 2.98Å
191N30Very low29.7Very low116 Ų116122.4 Ų122.462%0.6263%0.628SS**Hα-helixtrans-74.4-16.6-179.9-68.412.9000113.6M187 Q189 T194M187-N191 WeakPolarHBondContact O-CB 3Å; M187-N191 VanDerWaalsContact O-CG 3.26Å; M187-N191 PolarHBondContact O-N 2.85Å; M187-N191 PolarHBondContact O-OD1 3.36Å; Q189-N191 VanDerWaalsContact C-N 3.3Å; Q189-N191 PolarHBondContact O-N 2.78Å; N191-T194 PolarHBondContact O-OG1 3.22Å
192H27.1Very low28.9Very low156 Ų156127 Ų12772%0.72264%0.644SS**Hα-helixtrans-86.6-29.6171.2-86.6-65.2000112.6K188 Q189 S190 T194K188-H192 PolarHBondContact O-CD2 3.31Å; K188-H192 VanDerWaalsContact O-CD2 3.28Å; K188-H192 PolarHBondContact O-N 2.93Å; Q189-H192 PolarHBondContact O-N 3.03Å; Q189-H192 VanDerWaalsContact O-N 3.1Å; S190-H192 VanDerWaalsContact C-N 3.29Å; S190-H192 PolarHBondContact O-N 3.12Å; H192-T194 VanDerWaalsContact C-N 3.33Å; H192-T194 PolarHBondContact O-N 2.73Å
193T29.5Very low28.3Very low113 Ų113126.9 Ų126.969%0.69365%0.654SS**Hα-helixtrans-73.8-16.1179.843.20000114.9Q189 S190Q189-T193 PolarHBondContact O-N 2.67Å; Q189-T193 VanDerWaalsContact O-N 3.14Å; Q189-T193 PolarHBondContact O-OG1 3.44Å; S190-T193 WeakPolarHBondContact CA-OG1 3.5Å; S190-T193 PolarHBondContact O-N 3.47Å; S190-T193 PolarHBondContact O-OG1 2.98Å
194T33.2Very low27.7Very low100 Ų100127.8 Ų127.861%0.61366%0.664SS**THydrogen-bonded Turntrans-78.1-16.8-174.448.20000115.7N191 H192N191-T194 PolarHBondContact O-OG1 3.22Å; H192-T194 VanDerWaalsContact C-N 3.33Å; H192-T194 PolarHBondContact O-N 2.73Å
195N28.9Very low27.3Very low131 Ų131127.1 Ų127.170%0.70167%0.668SS**SBendtrans-104.6-9.8-162-73.123.5000115.8
196N23.7Very low26.7Very low146 Ų146128.3 Ų128.378%0.78167%0.674SS**SBendtrans-122.858.1-175.4-80.5-2.7000113.2
197H26.4Very low26.4Very low167 Ų167129 Ų12977%0.77368%0.684SS**  trans-171.2100.2150.1-97.8-60.2000109.4
198T23.2Very low26.4Very low106 Ų106131 Ų13165%0.6570%0.696SS**  58.285.399.364.80000116.7
199T23.6Very low26.2Very low122 Ų122130.8 Ų130.875%0.74870%0.703SS**  47.3102111.360.20000119.9
200N23Very low26.1Very low150 Ų150130 Ų13080%0.80270%0.701SS**  -170.2162.8127.3-98.5-30.3000111.7
201N22.6Very low26.3Very low144 Ų144130.9 Ų130.977%0.7771%0.705SS**  trans55.884172.5-58.5-17.4000115.7
202H21.9Very low26.3Very low174 Ų174131.3 Ų131.381%0.80670%0.698SS**  48.279.771.1-71.2-74.4000116.2
203T22.2Very low26.6Very low128 Ų128129.5 Ų129.579%0.78569%0.693SS**  -178.897115.724.20000109.7
204T20.4Very low26.9Very low105 Ų105127.1 Ų127.164%0.64468%0.676SS**  30.7103.996620000115.1
205H25Very low26.9Very low159 Ų159126.1 Ų126.174%0.73666%0.661SS**  -171.1117.8107.2-92.6-50.1000115.4
206N23.1Very low27.1Very low122 Ų122122 Ų12265%0.65264%0.639SS**  trans60.1108.3131.2-56.615.2000120.9
207N25.2Very low27.8Very low127 Ų127118.3 Ų118.368%0.67962%0.618SS**  56.288.5120.9-54.91.9000118.3
208N30.8Very low28.5Very low159 Ų159114.3 Ų114.385%0.8560%0.602SS**  -153.4115.8118.6-100.2-39.9000108.3I210N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 2.83Å
209N28.7Very low29.1Very low148 Ų148112.2 Ų112.279%0.79158%0.584SS**  trans-81.771.2-159.5-65.5-0.4000113
210I28.5Very low29.8Very low103 Ų103108.1 Ų108.153%0.52856%0.557SS.*  trans-100.5106.6154.9-67.4177.6000104.6N208 D214 I218N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 2.83Å; I210-D214 HydrophobicContact CB-CB 4.32Å; I210-D214 HydrophobicContact CG2-CB 3.57Å; I210-I218 HydrophobicContact CD1-CD1 4.45Å; I210-I218 HydrophobicContact CG2-CD1 4.34Å
211T34.7Very low30.6Very low73 Ų73107.7 Ų107.745%0.44855%0.548SS..  trans-66.5169179.567.10000111I213 D214 Y215T211-I213 PolarHBondContact O-N 3.06Å; T211-I213 WeakPolarHBondContact OG1-CB 3.37Å; T211-I213 PolarHBondContact OG1-N 3.32Å; T211-D214 VanDerWaalsContact CB-OD2 3.3Å; T211-D214 WeakPolarHBondContact CB-OD2 3.5Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.49Å; T211-D214 PolarHBondContact N-OD2 2.96Å; T211-D214 PolarHBondContact O-N 3.25Å; T211-D214 VanDerWaalsContact OG1-CG 3.31Å; T211-D214 PolarHBondContact OG1-N 3.01Å; T211-D214 PolarHBondContact OG1-OD2 3.21Å; T211-Y215 PolarHBondContact O-N 3.04Å
212Y29.7Very low31.5Very low125 Ų125102.8 Ų102.849%0.4952%0.52SS..Hα-helixtrans-58.3-31.2170.9-165.3-97.4000111.7L216Y212-L216 HydrophobicContact CD1-CD1 3.77Å; Y212-L216 HydrophobicContact CD1-CG 4.3Å; Y212-L216 HydrophobicContact CE1-CD1 3.77Å; Y212-L216 HydrophobicContact CE1-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CB 3.46Å; Y212-L216 VanDerWaalsContact O-CG 3.32Å; Y212-L216 WeakPolarHBondContact O-CG 3.3Å; Y212-L216 PolarHBondContact O-N 3Å
213I33.4Very low32.2Very low117 Ų11797.5 Ų97.560%0.650%0.497SS*.Hα-helixtrans-67.2-43.5173-58.2173.4000110.6T211 L216 I217T211-I213 PolarHBondContact O-N 3.06Å; T211-I213 WeakPolarHBondContact OG1-CB 3.37Å; T211-I213 PolarHBondContact OG1-N 3.32Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.28Å; I213-I217 HydrophobicContact CG2-CD1 3.81Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 WeakPolarHBondContact O-CB 3.13Å; I213-I217 VanDerWaalsContact O-CG1 3.26Å; I213-I217 WeakPolarHBondContact O-CG1 3.37Å; I213-I217 PolarHBondContact O-N 3.07Å
214D36.6Very low33Very low63 Ų6393.4 Ų93.434%0.33747%0.47SS..Hα-helixtrans-67.6-38.6176.6-60.3-63000112.4I210 T211 I217 I218I210-D214 HydrophobicContact CB-CB 4.32Å; I210-D214 HydrophobicContact CG2-CB 3.57Å; T211-D214 VanDerWaalsContact CB-OD2 3.3Å; T211-D214 WeakPolarHBondContact CB-OD2 3.5Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.49Å; T211-D214 PolarHBondContact N-OD2 2.96Å; T211-D214 PolarHBondContact O-N 3.25Å; T211-D214 VanDerWaalsContact OG1-CG 3.31Å; T211-D214 PolarHBondContact OG1-N 3.01Å; T211-D214 PolarHBondContact OG1-OD2 3.21Å; D214-I217 PolarHBondContact O-N 2.81Å; D214-I218 WeakPolarHBondContact O-CB 3.36Å; D214-I218 VanDerWaalsContact O-CG1 3.26Å; D214-I218 WeakPolarHBondContact O-CG1 3.39Å; D214-I218 PolarHBondContact O-N 2.85Å
215Y34.3Very low34.1Very low80 Ų8094.8 Ų94.831%0.31447%0.467SS..Hα-helixtrans-59.3-48.4172.1173-94.2000110.7I126 T211 I218 F219I126-Y215 HydrophobicContact CD1-CD2 4.43Å; I126-Y215 HydrophobicContact CG1-CE2 4.49Å; T211-Y215 PolarHBondContact O-N 3.04Å; Y215-I218 PolarHBondContact O-N 3.39Å; Y215-F219 VanDerWaalsContact O-CB 3.24Å; Y215-F219 WeakPolarHBondContact O-CB 3.46Å; Y215-F219 PolarHBondContact O-N 3.17Å
216L33.2Very low34.8Very low45 Ų4589 Ų8924%0.23644%0.442CS..Hα-helixtrans-56.4-52.6172.5-78.3169.4000110.6L73 Y212 I213 I218 F219 I220L73-L216 HydrophobicContact CD1-CD2 4.35Å; L73-L216 HydrophobicContact CD2-CD2 3.86Å; Y212-L216 HydrophobicContact CD1-CD1 3.77Å; Y212-L216 HydrophobicContact CD1-CG 4.3Å; Y212-L216 HydrophobicContact CE1-CD1 3.77Å; Y212-L216 HydrophobicContact CE1-CG 4.22Å; Y212-L216 WeakPolarHBondContact O-CB 3.46Å; Y212-L216 VanDerWaalsContact O-CG 3.32Å; Y212-L216 WeakPolarHBondContact O-CG 3.3Å; Y212-L216 PolarHBondContact O-N 3Å; I213-L216 WeakPolarHBondContact O-CB 3.33Å; I213-L216 PolarHBondContact O-N 3.28Å; L216-I218 VanDerWaalsContact C-N 3.33Å; L216-I218 PolarHBondContact O-N 3.33Å; L216-F219 PolarHBondContact O-N 3.07Å; L216-I220 HydrophobicContact CB-CD1 4.1Å; L216-I220 WeakPolarHBondContact O-CB 3.48Å; L216-I220 VanDerWaalsContact O-CD1 3.23Å; L216-I220 WeakPolarHBondContact O-CD1 3.46Å; L216-I220 WeakPolarHBondContact O-CG1 3.3Å; L216-I220 PolarHBondContact O-N 3.02Å
217I38.2Very low35.5Very low67 Ų6787.2 Ų87.234%0.34443%0.431SS..Hα-helixtrans-57.9-41.4-179.8-72.1167000112I213 D214 K221I213-I217 HydrophobicContact CG2-CD1 3.81Å; I213-I217 HydrophobicContact CG2-CG1 4.44Å; I213-I217 WeakPolarHBondContact O-CB 3.13Å; I213-I217 VanDerWaalsContact O-CG1 3.26Å; I213-I217 WeakPolarHBondContact O-CG1 3.37Å; I213-I217 PolarHBondContact O-N 3.07Å; D214-I217 PolarHBondContact O-N 2.81Å; I217-K221 HydrophobicContact CG2-CD 3.87Å; I217-K221 HydrophobicContact CG2-CG 4.46Å; I217-K221 WeakPolarHBondContact O-CB 3.33Å; I217-K221 WeakPolarHBondContact O-CG 3.22Å; I217-K221 PolarHBondContact O-N 3.15Å
218I39.9Very low36.2Very low83 Ų8387.7 Ų87.743%0.42643%0.427SS..Hα-helixtrans-70.7-43178.7-68.4165.8000111I210 D214 Y215 L216 K221 Q222I210-I218 HydrophobicContact CD1-CD1 4.45Å; I210-I218 HydrophobicContact CG2-CD1 4.34Å; D214-I218 WeakPolarHBondContact O-CB 3.36Å; D214-I218 VanDerWaalsContact O-CG1 3.26Å; D214-I218 WeakPolarHBondContact O-CG1 3.39Å; D214-I218 PolarHBondContact O-N 2.85Å; Y215-I218 PolarHBondContact O-N 3.39Å; L216-I218 VanDerWaalsContact C-N 3.33Å; L216-I218 PolarHBondContact O-N 3.33Å; I218-K221 PolarHBondContact O-N 3.42Å; I218-Q222 WeakPolarHBondContact O-CB 3.49Å; I218-Q222 WeakPolarHBondContact O-CG 3.42Å; I218-Q222 PolarHBondContact O-N 3.23Å
219F36.7Very low36.8Very low63 Ų6383.5 Ų83.528%0.27641%0.405SS..Hα-helixtrans-66.2-44.9177.7-174.1-109.8000111.4I133 Y215 L216 Q222 I223I133-F219 HydrophobicContact CD1-CE2 4.22Å; Y215-F219 VanDerWaalsContact O-CB 3.24Å; Y215-F219 WeakPolarHBondContact O-CB 3.46Å; Y215-F219 PolarHBondContact O-N 3.17Å; L216-F219 PolarHBondContact O-N 3.07Å; F219-Q222 PolarHBondContact O-N 2.93Å; F219-I223 HydrophobicContact CD1-CD1 4.01Å; F219-I223 HydrophobicContact CE1-CD1 3.41Å; F219-I223 VanDerWaalsContact CE1-CD1 3.41Å; F219-I223 HydrophobicContact CE1-CG1 4.43Å; F219-I223 HydrophobicContact CE2-CD1 4.09Å; F219-I223 HydrophobicContact CZ-CD1 3.46Å; F219-I223 VanDerWaalsContact CZ-CD1 3.46Å; F219-I223 HydrophobicContact CZ-CG1 4.38Å; F219-I223 WeakPolarHBondContact O-CB 3.37Å; F219-I223 PolarHBondContact O-N 2.78Å
220I37Very low37.2Very low35 Ų3579.2 Ų79.218%0.17938%0.379CS..Hα-helixtrans-58.2-50.4170.7-66.5160.4000109.9L73 L216 Q222 I223 I224L73-I220 HydrophobicContact CD1-CD1 3.42Å; L73-I220 VanDerWaalsContact CD1-CD1 3.42Å; L73-I220 HydrophobicContact CD1-CG1 3.85Å; L73-I220 HydrophobicContact CD2-CG1 4.36Å; L216-I220 HydrophobicContact CB-CD1 4.1Å; L216-I220 WeakPolarHBondContact O-CB 3.48Å; L216-I220 VanDerWaalsContact O-CD1 3.23Å; L216-I220 WeakPolarHBondContact O-CD1 3.46Å; L216-I220 WeakPolarHBondContact O-CG1 3.3Å; L216-I220 PolarHBondContact O-N 3.02Å; I220-Q222 VanDerWaalsContact C-N 3.3Å; I220-Q222 PolarHBondContact O-N 2.9Å; I220-I223 PolarHBondContact O-N 2.69Å; I220-I224 HydrophobicContact CG2-CD1 3.47Å; I220-I224 VanDerWaalsContact CG2-CD1 3.47Å; I220-I224 HydrophobicContact CG2-CG1 4.09Å; I220-I224 VanDerWaalsContact O-CB 3.23Å; I220-I224 WeakPolarHBondContact O-CB 3.43Å; I220-I224 VanDerWaalsContact O-CG1 3.22Å; I220-I224 WeakPolarHBondContact O-CG1 3.44Å; I220-I224 PolarHBondContact O-N 2.92Å
221K39.7Very low37.5Very low142 Ų14278 Ų7862%0.61737%0.373SS*.Hα-helixtrans-60.6-37.1178-79.1174.4178175.50111.8I217 I218 K225I217-K221 HydrophobicContact CG2-CD 3.87Å; I217-K221 HydrophobicContact CG2-CG 4.46Å; I217-K221 WeakPolarHBondContact O-CB 3.33Å; I217-K221 WeakPolarHBondContact O-CG 3.22Å; I217-K221 PolarHBondContact O-N 3.15Å; I218-K221 PolarHBondContact O-N 3.42Å; K221-K225 VanDerWaalsContact O-CB 3.23Å; K221-K225 WeakPolarHBondContact O-CB 3.46Å; K221-K225 PolarHBondContact O-N 3.33Å
222Q41.9Very low37.7Very low40 Ų4080.6 Ų80.619%0.18738%0.378CS..Hα-helixtrans-71.6-44.8174.7-73.8-80.7-17.200112.7Y130 N134 I218 F219 I220 K225 L226Y130-Q222 HydrophobicContact CE2-CG 4.42Å; Y130-Q222 PolarHBondContact OH-NE2 3.37Å; N134-Q222 PolarHBondContact ND2-OE1 3.17Å; I218-Q222 WeakPolarHBondContact O-CB 3.49Å; I218-Q222 WeakPolarHBondContact O-CG 3.42Å; I218-Q222 PolarHBondContact O-N 3.23Å; F219-Q222 PolarHBondContact O-N 2.93Å; I220-Q222 VanDerWaalsContact C-N 3.3Å; I220-Q222 PolarHBondContact O-N 2.9Å; Q222-K225 CarbonylContact O-C 3.55Å; Q222-K225 WeakPolarHBondContact O-CB 3.3Å; Q222-K225 PolarHBondContact O-N 3.28Å; Q222-K225 VanDerWaalsContact O-N 3.11Å; Q222-L226 PolarHBondContact O-N 3.25Å
223I38Very low38.1Very low63 Ų6379.5 Ų79.532%0.32338%0.381SS..Hα-helixtrans-65-43175.5-77.4-173.1000110.8F219 I220 K225 L226 I227F219-I223 HydrophobicContact CD1-CD1 4.01Å; F219-I223 HydrophobicContact CE1-CD1 3.41Å; F219-I223 VanDerWaalsContact CE1-CD1 3.41Å; F219-I223 HydrophobicContact CE1-CG1 4.43Å; F219-I223 HydrophobicContact CE2-CD1 4.09Å; F219-I223 HydrophobicContact CZ-CD1 3.46Å; F219-I223 VanDerWaalsContact CZ-CD1 3.46Å; F219-I223 HydrophobicContact CZ-CG1 4.38Å; F219-I223 WeakPolarHBondContact O-CB 3.37Å; F219-I223 PolarHBondContact O-N 2.78Å; I220-I223 PolarHBondContact O-N 2.69Å; I223-K225 VanDerWaalsContact C-N 3.25Å; I223-K225 PolarHBondContact O-N 3.3Å; I223-L226 CarbonylContact O-C 3.58Å; I223-L226 PolarHBondContact O-N 3.19Å; I223-I227 HydrophobicContact CG2-CD1 3.54Å; I223-I227 HydrophobicContact CG2-CG1 4.14Å; I223-I227 VanDerWaalsContact O-CB 3.32Å; I223-I227 WeakPolarHBondContact O-CB 3.43Å; I223-I227 WeakPolarHBondContact O-CG1 3.41Å; I223-I227 PolarHBondContact O-N 3.32Å
224I38.6Very low38Very low42 Ų4276.9 Ų76.922%0.21537%0.368CS..Hα-helixtrans-58.6-37.8170.5-71.3174.6000110.5H69 I220 K228H69-I224 WeakPolarHBondContact NE2-CD1 3.36Å; I220-I224 HydrophobicContact CG2-CD1 3.47Å; I220-I224 VanDerWaalsContact CG2-CD1 3.47Å; I220-I224 HydrophobicContact CG2-CG1 4.09Å; I220-I224 VanDerWaalsContact O-CB 3.23Å; I220-I224 WeakPolarHBondContact O-CB 3.43Å; I220-I224 VanDerWaalsContact O-CG1 3.22Å; I220-I224 WeakPolarHBondContact O-CG1 3.44Å; I220-I224 PolarHBondContact O-N 2.92Å; I224-K228 HydrophobicContact CG2-CD 3.77Å; I224-K228 HydrophobicContact CG2-CG 4.13Å; I224-K228 WeakPolarHBondContact O-CA 3.25Å; I224-K228 WeakPolarHBondContact O-CB 3.28Å; I224-K228 WeakPolarHBondContact O-CG 3.44Å; I224-K228 PolarHBondContact O-N 3.14Å
225K43.2Very low38Very low135 Ų13582 Ų8259%0.58739%0.387SS*.Hα-helixtrans-72.7-32.9177.3-162.2170.5-170.31730112.5K221 Q222 I223 N229K221-K225 VanDerWaalsContact O-CB 3.23Å; K221-K225 WeakPolarHBondContact O-CB 3.46Å; K221-K225 PolarHBondContact O-N 3.33Å; Q222-K225 CarbonylContact O-C 3.55Å; Q222-K225 WeakPolarHBondContact O-CB 3.3Å; Q222-K225 PolarHBondContact O-N 3.28Å; Q222-K225 VanDerWaalsContact O-N 3.11Å; I223-K225 VanDerWaalsContact C-N 3.25Å; I223-K225 PolarHBondContact O-N 3.3Å; K225-N229 WeakPolarHBondContact O-CB 3.44Å; K225-N229 VanDerWaalsContact O-CG 3.29Å; K225-N229 PolarHBondContact O-N 3.44Å; K225-N229 VanDerWaalsContact O-N 3.09Å; K225-N229 PolarHBondContact O-ND2 2.84Å
226L39.8Very low38.1Very low38 Ų3883.7 Ų83.720%0.19940%0.402CS..Hα-helixtrans-71.7-47.6172-104.1167.1000111.5I133 Q222 I223 N229 F230I133-L226 HydrophobicContact CG2-CD1 3.39Å; Q222-L226 PolarHBondContact O-N 3.25Å; I223-L226 CarbonylContact O-C 3.58Å; I223-L226 PolarHBondContact O-N 3.19Å; L226-N229 CarbonylContact O-C 3.57Å; L226-N229 PolarHBondContact O-N 3.43Å; L226-F230 WeakPolarHBondContact O-CB 3.31Å; L226-F230 PolarHBondContact O-N 2.88Å
227I38.2Very low37.8Very low83 Ų8385 Ų8543%0.42641%0.405SS..Hα-helixtrans-63.7-44.8175.6-69.1175.6000110.6I223 N229 F230 I231I223-I227 HydrophobicContact CG2-CD1 3.54Å; I223-I227 HydrophobicContact CG2-CG1 4.14Å; I223-I227 VanDerWaalsContact O-CB 3.32Å; I223-I227 WeakPolarHBondContact O-CB 3.43Å; I223-I227 WeakPolarHBondContact O-CG1 3.41Å; I223-I227 PolarHBondContact O-N 3.32Å; I227-N229 VanDerWaalsContact C-N 3.3Å; I227-N229 PolarHBondContact O-N 3.1Å; I227-F230 PolarHBondContact O-N 3.27Å; I227-F230 VanDerWaalsContact O-N 3.12Å; I227-I231 HydrophobicContact CG2-CD1 3.6Å; I227-I231 HydrophobicContact CG2-CG1 4.1Å; I227-I231 VanDerWaalsContact O-CB 3.22Å; I227-I231 WeakPolarHBondContact O-CB 3.47Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.39Å; I227-I231 PolarHBondContact O-N 3.35Å
228K39.9Very low37.4Very low138 Ų13890.8 Ų90.860%0.643%0.431SS*.Hα-helixtrans-60-38.5173-77.6179.5178.1-179.30111.4I224 K232I224-K228 HydrophobicContact CG2-CD 3.77Å; I224-K228 HydrophobicContact CG2-CG 4.13Å; I224-K228 WeakPolarHBondContact O-CA 3.25Å; I224-K228 WeakPolarHBondContact O-CB 3.28Å; I224-K228 WeakPolarHBondContact O-CG 3.44Å; I224-K228 PolarHBondContact O-N 3.14Å; K228-K232 WeakPolarHBondContact O-CB 3.49Å; K228-K232 PolarHBondContact O-N 2.99Å
229N42Very low36.8Very low71 Ų7191 Ų9138%0.3843%0.432SS..Hα-helixtrans-71.7-34.1172.9-79.5-40.8000113.3K225 L226 I227 K232 N233K225-N229 WeakPolarHBondContact O-CB 3.44Å; K225-N229 VanDerWaalsContact O-CG 3.29Å; K225-N229 PolarHBondContact O-N 3.44Å; K225-N229 VanDerWaalsContact O-N 3.09Å; K225-N229 PolarHBondContact O-ND2 2.84Å; L226-N229 CarbonylContact O-C 3.57Å; L226-N229 PolarHBondContact O-N 3.43Å; I227-N229 VanDerWaalsContact C-N 3.3Å; I227-N229 PolarHBondContact O-N 3.1Å; N229-K232 PolarHBondContact O-N 3.34Å; N229-N233 VanDerWaalsContact O-CB 3.32Å; N229-N233 WeakPolarHBondContact O-CB 3.36Å; N229-N233 PolarHBondContact O-N 2.69Å; N229-N233 PolarHBondContact O-ND2 3.29Å
230F37.1Very low36.4Very low57 Ų5794 Ų9425%0.2545%0.445CS..Hα-helixtrans-74-45179.8-170.7-109.9000110.9I141 L226 I227 N233 L234I141-F230 HydrophobicContact CG2-CD2 4.18Å; I141-F230 HydrophobicContact CG2-CE2 3.76Å; L226-F230 WeakPolarHBondContact O-CB 3.31Å; L226-F230 PolarHBondContact O-N 2.88Å; I227-F230 PolarHBondContact O-N 3.27Å; I227-F230 VanDerWaalsContact O-N 3.12Å; F230-N233 PolarHBondContact O-N 3.34Å; F230-L234 HydrophobicContact CD1-CD1 3.64Å; F230-L234 HydrophobicContact CD1-CG 4.28Å; F230-L234 HydrophobicContact CE1-CD1 3.57Å; F230-L234 HydrophobicContact CE1-CG 4.14Å; F230-L234 HydrophobicContact CG-CD1 4.47Å; F230-L234 HydrophobicContact CZ-CD1 4.33Å; F230-L234 HydrophobicContact CZ-CG 4.44Å; F230-L234 WeakPolarHBondContact O-CB 3.46Å; F230-L234 VanDerWaalsContact O-CG 3.31Å; F230-L234 WeakPolarHBondContact O-CG 3.43Å; F230-L234 PolarHBondContact O-N 3.05Å
231I36.1Very low36Very low78 Ų7898.6 Ų98.640%0.446%0.464SS..Hα-helixtrans-53.7-51.9165.2-72.4175.9000109.8I227 N233 L234 F235I227-I231 HydrophobicContact CG2-CD1 3.6Å; I227-I231 HydrophobicContact CG2-CG1 4.1Å; I227-I231 VanDerWaalsContact O-CB 3.22Å; I227-I231 WeakPolarHBondContact O-CB 3.47Å; I227-I231 VanDerWaalsContact O-CG1 3.26Å; I227-I231 WeakPolarHBondContact O-CG1 3.39Å; I227-I231 PolarHBondContact O-N 3.35Å; I231-N233 VanDerWaalsContact C-N 3.27Å; I231-N233 PolarHBondContact O-N 2.71Å; I231-L234 PolarHBondContact O-N 3.49Å; I231-F235 HydrophobicContact CG2-CD2 3.7Å; I231-F235 HydrophobicContact CG2-CE2 3.89Å; I231-F235 VanDerWaalsContact O-CD2 3.24Å; I231-F235 WeakPolarHBondContact O-CD2 3.29Å; I231-F235 PolarHBondContact O-N 3.24Å
232K39.3Very low35.7Very low127 Ų127101.9 Ų101.955%0.55247%0.474SS*.Hα-helixtrans-62.5-32.8179.3-167.2169.3-173.1176.20112.4K228 N229 N236K228-K232 WeakPolarHBondContact O-CB 3.49Å; K228-K232 PolarHBondContact O-N 2.99Å; N229-K232 PolarHBondContact O-N 3.34Å; K232-N236 WeakPolarHBondContact O-CB 3.5Å; K232-N236 PolarHBondContact O-N 3.3Å; K232-N236 PolarHBondContact O-OD1 3.35Å; K232-N236 VanDerWaalsContact O-OD1 3.14Å
233N36.5Very low35Very low102 Ų102104 Ų10455%0.54549%0.487SS..Hα-helixtrans-74.7-40.5173.2-74.7-14.5000112.9N229 F230 I231 F235 N236 K237N229-N233 VanDerWaalsContact O-CB 3.32Å; N229-N233 WeakPolarHBondContact O-CB 3.36Å; N229-N233 PolarHBondContact O-N 2.69Å; N229-N233 PolarHBondContact O-ND2 3.29Å; F230-N233 PolarHBondContact O-N 3.34Å; I231-N233 VanDerWaalsContact C-N 3.27Å; I231-N233 PolarHBondContact O-N 2.71Å; N233-F235 VanDerWaalsContact C-N 3.3Å; N233-F235 PolarHBondContact O-N 3.14Å; N233-N236 PolarHBondContact O-N 2.76Å; N233-K237 PolarHBondContact O-N 3.17Å
234L32.5Very low34.6Very low63 Ų63104.3 Ų104.333%0.3349%0.489SS..Hα-helixtrans-60.5-37.3175-81168.2000112.1F230 I231 K237 F241F230-L234 HydrophobicContact CD1-CD1 3.64Å; F230-L234 HydrophobicContact CD1-CG 4.28Å; F230-L234 HydrophobicContact CE1-CD1 3.57Å; F230-L234 HydrophobicContact CE1-CG 4.14Å; F230-L234 HydrophobicContact CG-CD1 4.47Å; F230-L234 HydrophobicContact CZ-CD1 4.33Å; F230-L234 HydrophobicContact CZ-CG 4.44Å; F230-L234 WeakPolarHBondContact O-CB 3.46Å; F230-L234 VanDerWaalsContact O-CG 3.31Å; F230-L234 WeakPolarHBondContact O-CG 3.43Å; F230-L234 PolarHBondContact O-N 3.05Å; I231-L234 PolarHBondContact O-N 3.49Å; L234-K237 VanDerWaalsContact O-O 3.05Å; L234-F241 HydrophobicContact CD2-CE2 4.24Å
235F35Very low34.5Very low170 Ų170110.1 Ų110.175%0.74652%0.515SS*.Hα-helixtrans-89.7-27.6177.4-71.4-68.7000113.4I231 N233I231-F235 HydrophobicContact CG2-CD2 3.7Å; I231-F235 HydrophobicContact CG2-CE2 3.89Å; I231-F235 VanDerWaalsContact O-CD2 3.24Å; I231-F235 WeakPolarHBondContact O-CD2 3.29Å; I231-F235 PolarHBondContact O-N 3.24Å; N233-F235 VanDerWaalsContact C-N 3.3Å; N233-F235 PolarHBondContact O-N 3.14Å
236N36.9Very low34.1Very low116 Ų116107.5 Ų107.562%0.6251%0.507SS*.Hα-helixtrans-73.3-29.6173.3-78.311.2000112.9K232 N233K232-N236 WeakPolarHBondContact O-CB 3.5Å; K232-N236 PolarHBondContact O-N 3.3Å; K232-N236 PolarHBondContact O-OD1 3.35Å; K232-N236 VanDerWaalsContact O-OD1 3.14Å; N233-N236 PolarHBondContact O-N 2.76Å
237K28.3Very low33.9Very low72 Ų72110 Ų11031%0.31352%0.518SS..SBendtrans-87.6115168.7-95.6-171.9149.2-144.90108.7K143 E144 N233 L234 I239K143-K237 WeakPolarHBondContact O-CD 3.44Å; K143-K237 WeakPolarHBondContact O-CE 3Å; K143-K237 PolarHBondContact O-NZ 3.19Å; E144-K237 IonicContact OE1-NZ 3.46Å; E144-K237 PolarHBondContact OE1-NZ 3.11Å; N233-K237 PolarHBondContact O-N 3.17Å; L234-K237 VanDerWaalsContact O-O 3.05Å; K237-I239 HydrophobicContact CB-CD1 4.19Å; K237-I239 HydrophobicContact CB-CG1 4.21Å; K237-I239 HydrophobicContact CD-CD1 3.88Å; K237-I239 HydrophobicContact CG-CD1 4.5Å; K237-I239 PolarHBondContact O-N 3.31Å
238Q28.1Very low34.1Very low189 Ų189109.1 Ų109.188%0.88351%0.514SS*.  trans-71.644.4-177.2-63.3168.8-41.100114.1K240Q238-K240 PolarHBondContact O-N 3.15Å; Q238-K240 VanDerWaalsContact O-N 3.09Å
239I27.4Very low34.9Very low86 Ų86106 Ų10644%0.44151%0.506SS..  trans-85.488.4-174.7-61.4177.1000110.1K237 F241K237-I239 HydrophobicContact CB-CD1 4.19Å; K237-I239 HydrophobicContact CB-CG1 4.21Å; K237-I239 HydrophobicContact CD-CD1 3.88Å; K237-I239 HydrophobicContact CG-CD1 4.5Å; K237-I239 PolarHBondContact O-N 3.31Å; I239-F241 PolarHBondContact O-N 3.46Å
240K28.1Very low35.8Very low128 Ų128103.3 Ų103.356%0.55749%0.492SS*.  trans3.960.4160.8-54.8-163.8-179-155.50119.2Q238 Y242Q238-K240 PolarHBondContact O-N 3.15Å; Q238-K240 VanDerWaalsContact O-N 3.09Å; K240-Y242 PolarHBondContact O-N 2.92Å
241F30.1Very low37.1Very low131 Ų131104.1 Ų104.158%0.57550%0.496SS*.G310 helixtrans-60.7-25.2171-105.7-87.8000113.9I146 L234 I239 N243 N244I146-F241 HydrophobicContact CG2-CZ 4.41Å; L234-F241 HydrophobicContact CD2-CE2 4.24Å; I239-F241 PolarHBondContact O-N 3.46Å; F241-N243 VanDerWaalsContact C-N 3.27Å; F241-N243 PolarHBondContact O-N 3.46Å; F241-N244 PolarHBondContact O-N 2.93Å
242Y32.1Very low38.5Very low211 Ų211102.9 Ų102.983%0.82749%0.49SS*.G310 helixtrans-65.2-16.6-172.1-76.4-76.6000116.1K240K240-Y242 PolarHBondContact O-N 2.92Å
243N28.7Very low40Very low85 Ų8597.5 Ų97.546%0.45547%0.467SS..G310 helixtrans-89.5-15.1-177.1-85.4-9.4000114.8F241F241-N243 VanDerWaalsContact C-N 3.27Å; F241-N243 PolarHBondContact O-N 3.46Å
244N28.9Very low41.9Very low69 Ų6993.6 Ų93.637%0.36945%0.449SS..  trans-99.9-1.6-160.6-65.825.7000115.1F241 L246 Q247 L248F241-N244 PolarHBondContact O-N 2.93Å; N244-L246 VanDerWaalsContact C-N 3.35Å; N244-L246 PolarHBondContact O-N 3.11Å; N244-Q247 VanDerWaalsContact CG-OE1 3.28Å; N244-Q247 PolarHBondContact ND2-OE1 3.1Å; N244-Q247 WeakPolarHBondContact O-CB 3.38Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 VanDerWaalsContact O-N 3.07Å; N244-L248 PolarHBondContact O-N 3.46Å
245Q35.7Very low43.9Very low163 Ų16395.5 Ų95.576%0.76246%0.456SS*.Hα-helixtrans-61.2-39.9-178.9-76.6-174.1-32.500113.1Q247 L248 T249Q245-Q247 PolarHBondContact O-N 3.09Å; Q245-L248 PolarHBondContact O-N 3.3Å; Q245-T249 PolarHBondContact O-N 2.85Å
246L35.1Very low45.9Very low80 Ų8088.2 Ų88.242%0.41943%0.425SS..Hα-helixtrans-68.5-18.3175.2-92.9162000114N244 T249N244-L246 VanDerWaalsContact C-N 3.35Å; N244-L246 PolarHBondContact O-N 3.11Å; L246-T249 PolarHBondContact O-OG1 3.37Å
247Q36.9Very low48.1Very low90 Ų9082.7 Ų82.742%0.42140%0.396SS..Hα-helixtrans-77.8-40.7175.1-64.4-179.8-42.800110.7N244 Q245 N250 E251 M408N244-Q247 VanDerWaalsContact CG-OE1 3.28Å; N244-Q247 PolarHBondContact ND2-OE1 3.1Å; N244-Q247 WeakPolarHBondContact O-CB 3.38Å; N244-Q247 PolarHBondContact O-N 3.24Å; N244-Q247 VanDerWaalsContact O-N 3.07Å; Q245-Q247 PolarHBondContact O-N 3.09Å; Q247-N250 PolarHBondContact O-N 3.17Å; Q247-E251 WeakPolarHBondContact O-CG 3.27Å; Q247-E251 PolarHBondContact O-N 3.4Å; Q247-E251 VanDerWaalsContact O-N 3.14Å; Q247-M408 HydrophobicContact CB-CE 4.09Å; Q247-M408 HydrophobicContact CG-CE 4.25Å
248L41.6Very low50.7Low66 Ų6682.7 Ų82.735%0.34640%0.395SS..Hα-helixtrans-66.4-37.6-177.9-78.6158.8000113.3K148 N244 Q245 N250 I252K148-L248 HydrophobicContact CD-CD2 4.21Å; N244-L248 PolarHBondContact O-N 3.46Å; Q245-L248 PolarHBondContact O-N 3.3Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 3.4Å; L248-I252 WeakPolarHBondContact O-CB 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 2.98Å; L248-I252 VanDerWaalsContact O-CG1 3.24Å; L248-I252 WeakPolarHBondContact O-CG1 3.47Å; L248-I252 PolarHBondContact O-N 3.38Å; L248-I252 VanDerWaalsContact O-N 3.16Å
249T55.4Low53Low72 Ų7275.6 Ų75.644%0.44236%0.363SS..Hα-helixtrans-60.7-42177.946.90000112Q245 L246 E253Q245-T249 PolarHBondContact O-N 2.85Å; L246-T249 PolarHBondContact O-OG1 3.37Å; T249-E253 WeakPolarHBondContact O-CB 3.43Å; T249-E253 PolarHBondContact O-N 3.3Å
250N62Low55.4Low14 Ų1472.7 Ų72.78%0.07535%0.348CS..Hα-helixtrans-82.7-32.4-172.4-64.320.6000112.1Q247 L248 A254 E404 M408Q247-N250 PolarHBondContact O-N 3.17Å; L248-N250 VanDerWaalsContact C-N 3.31Å; L248-N250 PolarHBondContact O-N 3.4Å; N250-A254 VanDerWaalsContact O-CB 3.27Å; N250-A254 WeakPolarHBondContact O-CB 3.29Å; N250-A254 PolarHBondContact O-N 3.19Å; N250-E404 VanDerWaalsContact ND2-CD 3.28Å; N250-E404 PolarHBondContact ND2-OE2 2.95Å; N250-M408 HydrophobicContact CB-CE 4.25Å
251E63.7Low57.9Low74 Ų7466.6 Ų66.635%0.34632%0.321SS..Hα-helixtrans-59.9-53168.6-74173.1148.300110.6K148 Q247 E253 A254 E255 M408K148-E251 IonicContact NZ-OE1 3.81Å; K148-E251 PolarHBondContact NZ-OE1 3.3Å; K148-E251 IonicContact NZ-OE2 3.42Å; K148-E251 PolarHBondContact NZ-OE2 3.22Å; Q247-E251 WeakPolarHBondContact O-CG 3.27Å; Q247-E251 PolarHBondContact O-N 3.4Å; Q247-E251 VanDerWaalsContact O-N 3.14Å; E251-E253 VanDerWaalsContact C-N 3.31Å; E251-E253 PolarHBondContact O-N 2.83Å; E251-A254 PolarHBondContact O-N 3.48Å; E251-E255 WeakPolarHBondContact O-CB 3.44Å; E251-E255 PolarHBondContact O-N 3.39Å; E251-M408 HydrophobicContact CG-SD 4.38Å
252I65.7Low60Low53 Ų5361.2 Ų61.227%0.27230%0.298SS..Hα-helixtrans-60.5-41.7178.9-66.4167.1000110.4L248 E255 T256L248-I252 WeakPolarHBondContact O-CB 3.31Å; L248-I252 WeakPolarHBondContact O-CD1 2.98Å; L248-I252 VanDerWaalsContact O-CG1 3.24Å; L248-I252 WeakPolarHBondContact O-CG1 3.47Å; L248-I252 PolarHBondContact O-N 3.38Å; L248-I252 VanDerWaalsContact O-N 3.16Å; I252-E255 WeakPolarHBondContact O-CB 3.11Å; I252-E255 PolarHBondContact O-N 3.07Å; I252-T256 HydrophobicContact CG2-CG2 4.47Å; I252-T256 VanDerWaalsContact O-CG2 3.31Å; I252-T256 WeakPolarHBondContact O-CG2 3.43Å; I252-T256 PolarHBondContact O-N 3.45Å
253E71.7Confident61.8Low13 Ų1356 Ų566%0.06128%0.278CS..Hα-helixtrans-67.5-44.4179.7-153.3-148.116500112.4T249 E251 E255 T256 H257 T389 L391 Q401T249-E253 WeakPolarHBondContact O-CB 3.43Å; T249-E253 PolarHBondContact O-N 3.3Å; E251-E253 VanDerWaalsContact C-N 3.31Å; E251-E253 PolarHBondContact O-N 2.83Å; E253-E255 PolarHBondContact O-N 2.97Å; E253-T256 WeakPolarHBondContact CA-OG1 3.37Å; E253-T256 PolarHBondContact O-N 3.18Å; E253-T256 PolarHBondContact O-OG1 2.92Å; E253-H257 VanDerWaalsContact CG-NE2 3.32Å; E253-H257 WeakPolarHBondContact CG-NE2 3.3Å; E253-H257 PolarHBondContact O-CD2 3.4Å; E253-H257 PolarHBondContact O-N 3.13Å; E253-H257 IonicContact OE1-CD2 3.15Å; E253-H257 CovalentContact OE1-NE2 1.81Å; E253-H257 IonicContact OE1-NE2 2.73Å; E253-H257 PolarHBondContact OE1-NE2 2.83Å; E253-H257 IonicContact OE2-NE2 2.69Å; E253-T389 HydrophobicContact CG-CG2 4.22Å; E253-T389 WeakPolarHBondContact OE1-CB 3.45Å; E253-T389 PolarHBondContact OE1-OG1 3.02Å; E253-L391 VanDerWaalsContact CD-CB 3.46Å; E253-L391 HydrophobicContact CG-CD1 4.44Å; E253-L391 VanDerWaalsContact OE1-CB 3.32Å; E253-L391 WeakPolarHBondContact OE1-CB 3.4Å; E253-L391 VanDerWaalsContact OE2-CB 3.32Å; E253-L391 WeakPolarHBondContact OE2-CB 3.37Å; E253-Q401 PolarHBondContact OE1-NE2 2.91Å; E253-Q401 VanDerWaalsContact OE1-NE2 3.1Å; E253-Q401 PolarHBondContact OE2-NE2 2.71Å
254A75.4Confident63.3Low20 Ų2052.9 Ų52.917%0.16526%0.262CS..Hα-helixtrans-57.8-38.8175.400000111.8N250 E251 H257 Y258 Q405N250-A254 VanDerWaalsContact O-CB 3.27Å; N250-A254 WeakPolarHBondContact O-CB 3.29Å; N250-A254 PolarHBondContact O-N 3.19Å; E251-A254 PolarHBondContact O-N 3.48Å; A254-H257 PolarHBondContact O-N 2.65Å; A254-Y258 WeakPolarHBondContact O-CB 3.5Å; A254-Y258 PolarHBondContact O-N 3.16Å; A254-Q405 VanDerWaalsContact CB-CD 3.49Å; A254-Q405 HydrophobicContact CB-CG 4.08Å
255E74.7Confident64.7Low103 Ų10350.7 Ų50.748%0.48125%0.251SS..Hα-helixtrans-65.1-43.6172.6-163.4-172.9149.300111.8E251 I252 E253 H257 Y258 N259E251-E255 WeakPolarHBondContact O-CB 3.44Å; E251-E255 PolarHBondContact O-N 3.39Å; I252-E255 WeakPolarHBondContact O-CB 3.11Å; I252-E255 PolarHBondContact O-N 3.07Å; E253-E255 PolarHBondContact O-N 2.97Å; E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.34Å; E255-Y258 PolarHBondContact O-N 3.21Å; E255-N259 VanDerWaalsContact O-CB 3.3Å; E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 2.99Å; E255-N259 PolarHBondContact O-OD1 2.93Å
256T76.8Confident65.6Low17 Ų1744.4 Ų44.410%0.10422%0.223CC..Hα-helixtrans-62.9-36.717661.90000112.6I252 E253 N259 L260 Y682I252-T256 HydrophobicContact CG2-CG2 4.47Å; I252-T256 VanDerWaalsContact O-CG2 3.31Å; I252-T256 WeakPolarHBondContact O-CG2 3.43Å; I252-T256 PolarHBondContact O-N 3.45Å; E253-T256 WeakPolarHBondContact CA-OG1 3.37Å; E253-T256 PolarHBondContact O-N 3.18Å; E253-T256 PolarHBondContact O-OG1 2.92Å; T256-N259 PolarHBondContact O-N 2.88Å; T256-L260 VanDerWaalsContact O-CB 3.29Å; T256-L260 WeakPolarHBondContact O-CB 3.43Å; T256-L260 WeakPolarHBondContact O-CD1 3.4Å; T256-L260 WeakPolarHBondContact O-CG 3.31Å; T256-L260 PolarHBondContact O-N 3.21Å; T256-Y682 WeakPolarHBondContact CG2-O 3.38Å
257H84.2Confident66.4Low0 Ų044.1 Ų44.10%022%0.219CC..Hα-helixtrans-66.5-44.6172.9-77.1-65.4000112.6E253 A254 E255 N259 L260 L261 I383 C385 T389 S392 Q401E253-H257 VanDerWaalsContact CG-NE2 3.32Å; E253-H257 WeakPolarHBondContact CG-NE2 3.3Å; E253-H257 PolarHBondContact O-CD2 3.4Å; E253-H257 PolarHBondContact O-N 3.13Å; E253-H257 IonicContact OE1-CD2 3.15Å; E253-H257 CovalentContact OE1-NE2 1.81Å; E253-H257 IonicContact OE1-NE2 2.73Å; E253-H257 PolarHBondContact OE1-NE2 2.83Å; E253-H257 IonicContact OE2-NE2 2.69Å; A254-H257 PolarHBondContact O-N 2.65Å; E255-H257 VanDerWaalsContact C-N 3.33Å; E255-H257 PolarHBondContact O-N 3.34Å; H257-N259 VanDerWaalsContact C-N 3.33Å; H257-N259 PolarHBondContact O-N 3.23Å; H257-L260 PolarHBondContact O-N 3.06Å; H257-L261 PolarHBondContact O-N 3.18Å; H257-I383 HydrophobicContact CB-CG2 4.35Å; H257-I383 VanDerWaalsContact CB-O 3.26Å; H257-I383 WeakPolarHBondContact CB-O 3.49Å; H257-C385 VanDerWaalsContact CE1-C 3.42Å; H257-C385 PolarHBondContact CE1-O 3.05Å; H257-C385 WeakPolarHBondContact ND1-CB 3.19Å; H257-C385 PolarHBondContact ND1-N 3.18Å; H257-C385 PolarHBondContact ND1-O 2.99Å; H257-C385 PolarHBondContact O-SG 3.46Å; H257-C385 VanDerWaalsContact O-SG 3.39Å; H257-T389 WeakPolarHBondContact CE1-CG2 3.27Å; H257-T389 PolarHBondContact CE1-OG1 2.74Å; H257-T389 WeakPolarHBondContact NE2-CB 3.47Å; H257-T389 VanDerWaalsContact NE2-CG2 3.27Å; H257-T389 WeakPolarHBondContact NE2-CG2 3.25Å; H257-T389 PolarHBondContact NE2-OG1 3.17Å; H257-S392 WeakPolarHBondContact CE1-CB 3.41Å; H257-S392 PolarHBondContact CE1-OG 3.29Å; H257-S392 WeakPolarHBondContact NE2-CB 3.28Å; H257-Q401 PolarHBondContact CD2-NE2 3.11Å; H257-Q401 PolarHBondContact NE2-NE2 2.98Å
258Y81.9Confident67.1Low73 Ų7341.3 Ų41.329%0.28621%0.207SC..Hα-helixtrans-58.2-46.7174.1-178.4-85.7000110.8A254 E255 L261 M262 K351 I383A254-Y258 WeakPolarHBondContact O-CB 3.5Å; A254-Y258 PolarHBondContact O-N 3.16Å; E255-Y258 PolarHBondContact O-N 3.21Å; Y258-L261 PolarHBondContact O-N 2.65Å; Y258-M262 HydrophobicContact CD1-CB 4.46Å; Y258-M262 HydrophobicContact CD1-CG 4.01Å; Y258-M262 HydrophobicContact CD2-CG 4.43Å; Y258-M262 HydrophobicContact CE1-CB 4.22Å; Y258-M262 HydrophobicContact CE1-CG 3.67Å; Y258-M262 HydrophobicContact CE2-CE 3.87Å; Y258-M262 HydrophobicContact CE2-CG 4.1Å; Y258-M262 HydrophobicContact CG-CG 4.36Å; Y258-M262 WeakPolarHBondContact O-CB 3.25Å; Y258-M262 WeakPolarHBondContact O-CG 3.49Å; Y258-M262 PolarHBondContact O-N 3.28Å; Y258-K351 PolarHBondContact OH-NZ 3.26Å; Y258-I383 HydrophobicContact CD2-CD1 3.69Å; Y258-I383 HydrophobicContact CE2-CD1 4.36Å; Y258-I383 HydrophobicContact CG-CD1 4.38Å
259N76.6Confident67.6Low40 Ų4038.2 Ų38.221%0.21419%0.191CC..Hα-helixtrans-67.8-40.5-178.8-67.8-7.3000112E255 T256 H257 M262 Y263E255-N259 VanDerWaalsContact O-CB 3.3Å; E255-N259 WeakPolarHBondContact O-CB 3.29Å; E255-N259 PolarHBondContact O-N 2.99Å; E255-N259 PolarHBondContact O-OD1 2.93Å; T256-N259 PolarHBondContact O-N 2.88Å; H257-N259 VanDerWaalsContact C-N 3.33Å; H257-N259 PolarHBondContact O-N 3.23Å; N259-M262 PolarHBondContact O-N 3.03Å; N259-Y263 HydrophobicContact CB-CD2 3.88Å; N259-Y263 HydrophobicContact CB-CE2 4.13Å; N259-Y263 WeakPolarHBondContact O-CD2 3.31Å; N259-Y263 PolarHBondContact O-N 3.34Å; N259-Y263 WeakPolarHBondContact OD1-CE2 3.36Å
260L78.5Confident67.2Low24 Ų2438 Ų3813%0.12619%0.186CC..Hα-helixtrans-60.4-42172.4-78.6166.4000112.2T256 H257 L268 C385 R388 L679 I681T256-L260 VanDerWaalsContact O-CB 3.29Å; T256-L260 WeakPolarHBondContact O-CB 3.43Å; T256-L260 WeakPolarHBondContact O-CD1 3.4Å; T256-L260 WeakPolarHBondContact O-CG 3.31Å; T256-L260 PolarHBondContact O-N 3.21Å; H257-L260 PolarHBondContact O-N 3.06Å; L260-L268 HydrophobicContact CD2-CD1 4.43Å; L260-C385 HydrophobicContact CB-CB 4.35Å; L260-C385 HydrophobicContact CD1-CB 4.43Å; L260-R388 HydrophobicContact CD1-CB 3.71Å; L260-R388 HydrophobicContact CD1-CG 4.5Å; L260-L679 HydrophobicContact CD2-CD1 4.33Å; L260-L679 HydrophobicContact CD2-CD2 4.28Å; L260-I681 HydrophobicContact CD1-CG2 4.35Å; L260-I681 HydrophobicContact CD2-CD1 4.37Å; L260-I681 HydrophobicContact CD2-CG1 4.13Å; L260-I681 HydrophobicContact CD2-CG2 4.38Å
261L80.8Confident66.2Low0 Ų044.6 Ų44.60%022%0.216CC..Hα-helixtrans-71.7-37176.4-164.481.8000111.7H257 Y258 T340 L343 R344 V347 I383 L446 D448H257-L261 PolarHBondContact O-N 3.18Å; Y258-L261 PolarHBondContact O-N 2.65Å; L261-T340 HydrophobicContact CD1-CG2 3.94Å; L261-L343 HydrophobicContact CD1-CB 3.92Å; L261-L343 HydrophobicContact CD1-CD1 4.1Å; L261-L343 HydrophobicContact CD2-CB 4.25Å; L261-R344 PolarHBondContact O-NE 3.41Å; L261-R344 PolarHBondContact O-NH2 2.96Å; L261-V347 HydrophobicContact CD2-CG2 3.89Å; L261-I383 HydrophobicContact CB-CD1 4.38Å; L261-I383 HydrophobicContact CB-CG2 3.81Å; L261-I383 HydrophobicContact CD1-CG2 4.44Å; L261-I383 HydrophobicContact CD2-CD1 3.67Å; L261-I383 HydrophobicContact CD2-CG1 4.04Å; L261-I383 HydrophobicContact CD2-CG2 3.9Å; L261-I383 HydrophobicContact CG-CG2 4.25Å; L261-L446 HydrophobicContact CD2-CD1 4.1Å; L261-D448 HydrophobicContact CD1-CB 4.47Å
262M74.5Confident65.2Low18 Ų1841.6 Ų41.69%0.08920%0.204CC..Hα-helixtrans-89.8-39.2-167.3-75.2-70.117800115.8Y258 N259 R344 V347Y258-M262 HydrophobicContact CD1-CB 4.46Å; Y258-M262 HydrophobicContact CD1-CG 4.01Å; Y258-M262 HydrophobicContact CD2-CG 4.43Å; Y258-M262 HydrophobicContact CE1-CB 4.22Å; Y258-M262 HydrophobicContact CE1-CG 3.67Å; Y258-M262 HydrophobicContact CE2-CE 3.87Å; Y258-M262 HydrophobicContact CE2-CG 4.1Å; Y258-M262 HydrophobicContact CG-CG 4.36Å; Y258-M262 WeakPolarHBondContact O-CB 3.25Å; Y258-M262 WeakPolarHBondContact O-CG 3.49Å; Y258-M262 PolarHBondContact O-N 3.28Å; N259-M262 PolarHBondContact O-N 3.03Å; M262-R344 WeakPolarHBondContact O-CD 3.4Å; M262-R344 PolarHBondContact O-NE 3.06Å; M262-R344 PolarHBondContact O-NH1 3.18Å; M262-R344 PolarHBondContact O-NH2 2.87Å; M262-R344 HydrophobicContact SD-CG 4Å; M262-V347 HydrophobicContact CE-CB 3.46Å; M262-V347 VanDerWaalsContact CE-CB 3.46Å; M262-V347 HydrophobicContact CE-CG1 3.28Å; M262-V347 HydrophobicContact CE-CG2 3.95Å
263Y68.5Low63.9Low103 Ų10341.4 Ų41.440%0.40420%0.202SC..SBendtrans-95.1136.7-177.7-60.7-71.8000110.4N259 L268 R344N259-Y263 HydrophobicContact CB-CD2 3.88Å; N259-Y263 HydrophobicContact CB-CE2 4.13Å; N259-Y263 WeakPolarHBondContact O-CD2 3.31Å; N259-Y263 PolarHBondContact O-N 3.34Å; N259-Y263 WeakPolarHBondContact OD1-CE2 3.36Å; Y263-L268 HydrophobicContact CD2-CD2 4.48Å; Y263-R344 PolarHBondContact O-NH2 3Å
264P60.5Low62.4Low18 Ų1846.3 Ų46.312%0.11722%0.224CC..  trans-69.7158.5172.531-33.9000110.6N266 E267 L268 R344P264-N266 PolarHBondContact O-N 2.81Å; P264-E267 WeakPolarHBondContact CD-OE1 3.49Å; P264-E267 VanDerWaalsContact CD-OE2 3.26Å; P264-E267 WeakPolarHBondContact CD-OE2 3.41Å; P264-E267 HydrophobicContact CG-CB 4.02Å; P264-E267 HydrophobicContact CG-CG 3.78Å; P264-E267 WeakPolarHBondContact CG-OE1 3.37Å; P264-E267 PolarHBondContact O-N 3.47Å; P264-L268 PolarHBondContact O-N 3.49Å; P264-L268 VanDerWaalsContact O-N 3.14Å; P264-R344 VanDerWaalsContact N-NH1 3.19Å
265T57.5Low60.6Low23 Ų2350.9 Ų50.914%0.14124%0.242CC..Hα-helixtrans-55-30.7179.960.90000113.3N269 L679 N692T265-N269 VanDerWaalsContact O-CB 3.29Å; T265-N269 WeakPolarHBondContact O-CB 3.38Å; T265-N269 PolarHBondContact O-N 3.48Å; T265-N269 PolarHBondContact O-ND2 3.14Å; T265-N269 PolarHBondContact O-OD1 3.28Å; T265-L679 HydrophobicContact CG2-CB 4.45Å; T265-L679 HydrophobicContact CG2-CD1 3.87Å; T265-N692 WeakPolarHBondContact CG2-ND2 3.48Å; T265-N692 WeakPolarHBondContact CG2-OD1 3.38Å; T265-N692 PolarHBondContact OG1-ND2 3.49Å
266N55.2Low58.7Low32 Ų3247.2 Ų47.217%0.17122%0.224CC..Hα-helixtrans-65-43.8176.6-71.18.3000111.9P264 N269 I270 N298P264-N266 PolarHBondContact O-N 2.81Å; N266-N269 PolarHBondContact O-N 3.07Å; N266-I270 WeakPolarHBondContact O-CG1 3.27Å; N266-I270 PolarHBondContact O-N 3.03Å; N266-N298 PolarHBondContact ND2-OD1 2.61Å
267E53.4Low56.6Low74 Ų7450 Ų5035%0.34624%0.239SC..Hα-helixtrans-72.9-42.8-177.9-72.5163.9-13900111.6P264 N269 I270P264-E267 WeakPolarHBondContact CD-OE1 3.49Å; P264-E267 VanDerWaalsContact CD-OE2 3.26Å; P264-E267 WeakPolarHBondContact CD-OE2 3.41Å; P264-E267 HydrophobicContact CG-CB 4.02Å; P264-E267 HydrophobicContact CG-CG 3.78Å; P264-E267 WeakPolarHBondContact CG-OE1 3.37Å; P264-E267 PolarHBondContact O-N 3.47Å; E267-N269 PolarHBondContact O-N 2.98Å; E267-I270 PolarHBondContact O-N 3.46Å
268L51.4Low54.1Low31 Ų3157.1 Ų57.116%0.16227%0.271CS..Hα-helixtrans-55.8-33.3171.5-68.2171.7000112.2L260 Y263 P264 L679L260-L268 HydrophobicContact CD2-CD1 4.43Å; Y263-L268 HydrophobicContact CD2-CD2 4.48Å; P264-L268 PolarHBondContact O-N 3.49Å; P264-L268 VanDerWaalsContact O-N 3.14Å; L268-L679 HydrophobicContact CD1-CD1 3.73Å
269N50.6Low51.7Low0 Ų062.5 Ų62.50%029%0.292CS..THydrogen-bonded Turntrans-87.4-5.9179.6-58.21000113.4T265 N266 E267 S272 E273 L678 F680T265-N269 VanDerWaalsContact O-CB 3.29Å; T265-N269 WeakPolarHBondContact O-CB 3.38Å; T265-N269 PolarHBondContact O-N 3.48Å; T265-N269 PolarHBondContact O-ND2 3.14Å; T265-N269 PolarHBondContact O-OD1 3.28Å; N266-N269 PolarHBondContact O-N 3.07Å; E267-N269 PolarHBondContact O-N 2.98Å; N269-S272 PolarHBondContact O-OG 3.27Å; N269-E273 PolarHBondContact O-N 2.89Å; N269-L678 PolarHBondContact ND2-O 3.1Å; N269-L678 VanDerWaalsContact ND2-O 3.16Å; N269-F680 HydrophobicContact CB-CD2 4.2Å; N269-F680 WeakPolarHBondContact ND2-CD2 3.41Å; N269-F680 VanDerWaalsContact OD1-CB 3.31Å; N269-F680 WeakPolarHBondContact OD1-CB 3.44Å; N269-F680 WeakPolarHBondContact OD1-CD2 3.45Å; N269-F680 PolarHBondContact OD1-N 2.97Å
270I47.6Very low49.3Very low67 Ų6765 Ų6534%0.34431%0.305SS..Hα-helixtrans-75.1-36.8177.8-80.3165.9000111.1N266 E267 S272 E273 H274N266-I270 WeakPolarHBondContact O-CG1 3.27Å; N266-I270 PolarHBondContact O-N 3.03Å; E267-I270 PolarHBondContact O-N 3.46Å; I270-S272 PolarHBondContact O-N 3.31Å; I270-S272 VanDerWaalsContact O-N 3.12Å; I270-E273 PolarHBondContact O-N 3.42Å; I270-H274 PolarHBondContact O-CD2 3.32Å; I270-H274 VanDerWaalsContact O-CD2 3.24Å; I270-H274 PolarHBondContact O-N 2.89Å
271Q41.7Very low46.9Very low153 Ų15368.5 Ų68.572%0.71532%0.323SS*.Hα-helixtrans-56.1-29175.3-72.8-174-20.900113
272S41.7Very low44.4Very low12 Ų1273.5 Ų73.58%0.08435%0.349CS..Hα-helixtrans-90.1-24.4173.148.90000114.3N269 I270 H275 Y276N269-S272 PolarHBondContact O-OG 3.27Å; I270-S272 PolarHBondContact O-N 3.31Å; I270-S272 VanDerWaalsContact O-N 3.12Å; S272-H275 PolarHBondContact O-N 3.15Å; S272-Y276 PolarHBondContact O-N 2.86Å
273E38.6Very low42.1Very low49 Ų4980.1 Ų80.123%0.22939%0.385CS..Hα-helixtrans-71.2-32.2-178.1-160.7155.7-119.200112.4N269 I270 H275 Y276 N277 K675N269-E273 PolarHBondContact O-N 2.89Å; I270-E273 PolarHBondContact O-N 3.42Å; E273-H275 PolarHBondContact O-N 3.44Å; E273-Y276 PolarHBondContact O-N 3.15Å; E273-Y276 VanDerWaalsContact O-N 3.14Å; E273-N277 WeakPolarHBondContact O-CB 3.44Å; E273-N277 PolarHBondContact O-N 2.96Å; E273-K675 WeakPolarHBondContact OE1-CE 3.49Å; E273-K675 IonicContact OE1-NZ 2.59Å; E273-K675 PolarHBondContact OE1-NZ 3.4Å; E273-K675 IonicContact OE2-NZ 2.69Å; E273-K675 PolarHBondContact OE2-NZ 3.13Å
274H40.3Very low40Very low115 Ų11580.3 Ų80.353%0.53239%0.393SS..Hα-helixtrans-56.6-36.5171.9-74.1-68.1000113.1I270 H278I270-H274 PolarHBondContact O-CD2 3.32Å; I270-H274 VanDerWaalsContact O-CD2 3.24Å; I270-H274 PolarHBondContact O-N 2.89Å; H274-H278 PolarHBondContact O-N 3.25Å; H274-H278 PolarHBondContact O-ND1 3.5Å; H274-H278 VanDerWaalsContact O-ND1 3.15Å
275H37.3Very low38.2Very low117 Ų11785.2 Ų85.254%0.54242%0.418SS..Hα-helixtrans-71.8-39.5175.1-77.3-59.6000112.8S272 E273 Y279S272-H275 PolarHBondContact O-N 3.15Å; E273-H275 PolarHBondContact O-N 3.44Å; H275-Y279 VanDerWaalsContact O-CD2 3.31Å; H275-Y279 WeakPolarHBondContact O-CD2 3.4Å
276Y34.5Very low36.6Very low26 Ų2691.1 Ų91.110%0.10245%0.449CS..Hα-helixtrans-77.3-35.7-179.2-169-123.4000113.1S272 E273 H278 Y279 I280 L664 K665 Y668S272-Y276 PolarHBondContact O-N 2.86Å; E273-Y276 PolarHBondContact O-N 3.15Å; E273-Y276 VanDerWaalsContact O-N 3.14Å; Y276-H278 VanDerWaalsContact C-N 3.27Å; Y276-H278 PolarHBondContact O-N 2.99Å; Y276-Y279 WeakPolarHBondContact O-CA 3.44Å; Y276-Y279 WeakPolarHBondContact O-CB 3.13Å; Y276-Y279 PolarHBondContact O-N 2.95Å; Y276-I280 HydrophobicContact CD1-CD1 4.36Å; Y276-I280 HydrophobicContact CE1-CD1 3.61Å; Y276-I280 HydrophobicContact CE1-CG1 4.43Å; Y276-I280 HydrophobicContact CE2-CD1 4.47Å; Y276-I280 PolarHBondContact O-N 2.87Å; Y276-L664 HydrophobicContact CD2-CB 3.82Å; Y276-L664 HydrophobicContact CD2-CD1 3.84Å; Y276-L664 HydrophobicContact CD2-CD2 4.44Å; Y276-L664 HydrophobicContact CD2-CG 4.24Å; Y276-L664 HydrophobicContact CE1-CB 4.34Å; Y276-L664 HydrophobicContact CE2-CB 3.29Å; Y276-L664 HydrophobicContact CE2-CD1 3.77Å; Y276-L664 HydrophobicContact CE2-CG 4.07Å; Y276-K665 WeakPolarHBondContact OH-CA 3.27Å; Y276-K665 PolarHBondContact OH-N 2.81Å; Y276-K665 VanDerWaalsContact OH-N 3.15Å; Y276-Y668 AromaticContact CD1-CD2 3.58Å; Y276-Y668 HydrophobicContact CD1-CD2 3.58Å; Y276-Y668 HydrophobicContact CD1-CE2 4.44Å; Y276-Y668 AromaticContact CD1-CG 3.68Å; Y276-Y668 HydrophobicContact CD1-CG 3.68Å; Y276-Y668 HydrophobicContact CE1-CD2 4.09Å; Y276-Y668 HydrophobicContact CE1-CG 4.23Å; Y276-Y668 AromaticContact CG-CD2 3.88Å; Y276-Y668 HydrophobicContact CG-CD2 3.88Å; Y276-Y668 HydrophobicContact CG-CE2 4.33Å; Y276-Y668 HydrophobicContact CG-CG 4.34Å
277N32.9Very low35.1Very low76 Ų7695.8 Ų95.841%0.40647%0.474SS..Hα-helixtrans-61.1-37.1172.5-76.5-10.9000111.4E273 Y279 I280 I281E273-N277 WeakPolarHBondContact O-CB 3.44Å; E273-N277 PolarHBondContact O-N 2.96Å; N277-Y279 PolarHBondContact O-N 2.7Å; N277-I280 PolarHBondContact O-N 2.98Å; N277-I280 VanDerWaalsContact O-N 3.15Å; N277-I281 HydrophobicContact CB-CD1 3.91Å; N277-I281 WeakPolarHBondContact O-CB 3.2Å; N277-I281 VanDerWaalsContact O-CG1 3.22Å; N277-I281 WeakPolarHBondContact O-CG1 3.47Å; N277-I281 PolarHBondContact O-N 3.3Å
278H31.2Very low33.7Very low149 Ų14998.7 Ų98.769%0.6949%0.492SS*.Hα-helixtrans-58.9-26.7170.2-93.362.2000114.2H274 Y276H274-H278 PolarHBondContact O-N 3.25Å; H274-H278 PolarHBondContact O-ND1 3.5Å; H274-H278 VanDerWaalsContact O-ND1 3.15Å; Y276-H278 VanDerWaalsContact C-N 3.27Å; Y276-H278 PolarHBondContact O-N 2.99Å
279Y31.4Very low32.4Very low186 Ų186102.8 Ų102.873%0.72951%0.514SS*.Hα-helixtrans-84.2-11.9177.5-85.1-68.5000114.7H275 Y276 N277H275-Y279 VanDerWaalsContact O-CD2 3.31Å; H275-Y279 WeakPolarHBondContact O-CD2 3.4Å; Y276-Y279 WeakPolarHBondContact O-CA 3.44Å; Y276-Y279 WeakPolarHBondContact O-CB 3.13Å; Y276-Y279 PolarHBondContact O-N 2.95Å; N277-Y279 PolarHBondContact O-N 2.7Å
280I27.7Very low31.2Very low92 Ų92109.1 Ų109.147%0.47255%0.548SS..Hα-helixtrans-109.1-39176.9-65.9-177.9000111.8Y276 N277 D282 N283Y276-I280 HydrophobicContact CD1-CD1 4.36Å; Y276-I280 HydrophobicContact CE1-CD1 3.61Å; Y276-I280 HydrophobicContact CE1-CG1 4.43Å; Y276-I280 HydrophobicContact CE2-CD1 4.47Å; Y276-I280 PolarHBondContact O-N 2.87Å; N277-I280 PolarHBondContact O-N 2.98Å; N277-I280 VanDerWaalsContact O-N 3.15Å; I280-D282 PolarHBondContact O-N 3.41Å; I280-N283 PolarHBondContact O-N 2.96Å
281I28Very low30Very low98 Ų98112.4 Ų112.450%0.50357%0.566SS.*Hα-helixtrans-61.9-29.2-175.5-70.9169.5000112.6N277 N283 D284N277-I281 HydrophobicContact CB-CD1 3.91Å; N277-I281 WeakPolarHBondContact O-CB 3.2Å; N277-I281 VanDerWaalsContact O-CG1 3.22Å; N277-I281 WeakPolarHBondContact O-CG1 3.47Å; N277-I281 PolarHBondContact O-N 3.3Å; I281-N283 PolarHBondContact O-N 3.37Å; I281-D284 PolarHBondContact O-N 2.88Å
282D27.7Very low29.2Very low104 Ų104112.8 Ų112.856%0.55657%0.573SS**THydrogen-bonded Turntrans-62.2-2.6179.9-133.832.9000114K186 I280K186-D282 WeakPolarHBondContact CE-OD2 3.41Å; K186-D282 IonicContact NZ-OD1 2.62Å; K186-D282 PolarHBondContact NZ-OD1 3.37Å; K186-D282 IonicContact NZ-OD2 2.65Å; K186-D282 PolarHBondContact NZ-OD2 2.89Å; I280-D282 PolarHBondContact O-N 3.41Å
283N26.1Very low28.4Very low158 Ų158118.6 Ų118.685%0.84560%0.603SS**THydrogen-bonded Turntrans-131.72.2-173.1-128.430000116I280 I281I280-N283 PolarHBondContact O-N 2.96Å; I281-N283 PolarHBondContact O-N 3.37Å
284D24.5Very low27.8Very low106 Ų106122.7 Ų122.757%0.56763%0.627SS**  trans-147.240.5-174.1-149.2-3.7000113.8I281 N286 K531I281-D284 PolarHBondContact O-N 2.88Å; D284-N286 PolarHBondContact O-N 3.36Å; D284-K531 IonicContact OD1-NZ 3.16Å; D284-K531 PolarHBondContact OD1-NZ 2.95Å; D284-K531 IonicContact OD2-NZ 2.82Å; D284-K531 PolarHBondContact OD2-NZ 3.37Å
285N23.7Very low27.1Very low122 Ų122124.3 Ų124.365%0.65264%0.639SS**  trans-68.8109.1174.1-82.2-39.6000111.9
286N23Very low26.8Very low146 Ų146124.4 Ų124.478%0.78164%0.64SS**  trans-172.9144.6134.2-98.2-30.7000112.5D284D284-N286 PolarHBondContact O-N 3.36Å
287N24Very low26.6Very low131 Ų131127 Ų12770%0.70166%0.662SS**  trans62.1116.7164.6-58.9-9.6000119.1
288N24.6Very low26.8Very low134 Ų134124.7 Ų124.772%0.71765%0.649SS**  62.4145.4126.5-64.344.2000120.3
289D24.3Very low27.4Very low117 Ų117122.3 Ų122.363%0.62664%0.635SS**  cis-150.2173.27.3-135.3-49000112.8N291D289-N291 PolarHBondContact O-N 3.28Å
290N23.5Very low28.1Very low134 Ų134115 Ų11572%0.71761%0.609SS**  trans-54.5128.7174.5-63-90.8000112.2
291N24.3Very low29.1Very low135 Ų135113.9 Ų113.972%0.72260%0.599SS**  trans-153.575.7154.7-105.7-48000112D289 N293D289-N291 PolarHBondContact O-N 3.28Å; N291-N293 PolarHBondContact O-N 3.21Å
292N24.4Very low30.2Very low162 Ų162114.4 Ų114.487%0.86660%0.603SS**THydrogen-bonded Turntrans-67.273162.5-77.6-15.4000110.1
293N24.9Very low31.5Very low133 Ų133111.2 Ų111.271%0.71159%0.586SS**THydrogen-bonded Turntrans-1573.7169.2-105-31.1000114.7N291 N295N291-N293 PolarHBondContact O-N 3.21Å; N293-N295 PolarHBondContact O-N 2.96Å
294N25.9Very low32.9Very low135 Ų135111.1 Ų111.172%0.72258%0.58SS**  trans-73.380.5168.5-79.85000110.3E296N294-E296 HydrophobicContact CB-CG 4.31Å; N294-E296 PolarHBondContact O-N 3.33Å
295N26Very low34.4Very low150 Ų150107.1 Ų107.180%0.80256%0.561SS**  trans-57.884.5146.4-79.1-41.5000107.2N293 S297N293-N295 PolarHBondContact O-N 2.96Å; N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 3.41Å
296E31.3Very low36.3Very low119 Ų119102.2 Ų102.256%0.55653%0.534SS*.  trans-64.696.3175.8-75.9-145.1159.900109.1N294 N298N294-E296 HydrophobicContact CB-CG 4.31Å; N294-E296 PolarHBondContact O-N 3.33Å; E296-N298 PolarHBondContact O-N 3.28Å
297S30.2Very low38.2Very low81 Ų8197.8 Ų97.857%0.56651%0.51SS*.  trans-66.471178.947.30000111N295 K521N295-S297 VanDerWaalsContact C-N 3.32Å; N295-S297 PolarHBondContact O-N 3.41Å; S297-K521 PolarHBondContact O-NZ 3.28Å
298N36.5Very low40.1Very low26 Ų2696.6 Ų96.614%0.13950%0.5CS..  trans-84.2108170.7-67.9-30.7000106.1N266 E296 N300 K521N266-N298 PolarHBondContact ND2-OD1 2.61Å; E296-N298 PolarHBondContact O-N 3.28Å; N298-N300 WeakPolarHBondContact O-CB 3.37Å; N298-N300 PolarHBondContact O-N 3.22Å; N298-K521 PolarHBondContact OD1-NZ 3.47Å
299Y42.8Very low42Very low99 Ų9992.1 Ų92.139%0.38848%0.476SS..  trans-42.8105.5-176.4-70.7-78.9000111.8D303 S518Y299-D303 WeakPolarHBondContact CA-OD1 3.36Å; Y299-D303 WeakPolarHBondContact CD1-OD2 3.46Å; Y299-S518 PolarHBondContact OH-OG 3.01Å
300N46.9Very low44.4Very low34 Ų3487.7 Ų87.718%0.18245%0.451CS..  trans-117.5170.9-169.5-133.9-23.5000111.2N298 N302 D303 R344N298-N300 WeakPolarHBondContact O-CB 3.37Å; N298-N300 PolarHBondContact O-N 3.22Å; N300-N302 PolarHBondContact O-N 3.46Å; N300-D303 PolarHBondContact N-OD1 3.2Å; N300-D303 VanDerWaalsContact O-CB 3.29Å; N300-D303 WeakPolarHBondContact O-CB 3.5Å; N300-D303 PolarHBondContact O-N 3.09Å; N300-R344 PolarHBondContact OD1-NH1 3.37Å
301W48.6Very low46.8Very low68 Ų6887 Ų8726%0.25844%0.443SS..THydrogen-bonded Turntrans-61.8-21.4173.461.6-77000113.7R344 W345 N348W301-R344 HydrophobicContact CB-CB 4.25Å; W301-R344 HydrophobicContact CB-CG 4Å; W301-R344 HydrophobicContact CG-CG 3.84Å; W301-W345 HydrophobicContact CB-CB 4.42Å; W301-N348 HydrophobicContact CE3-CB 4.14Å; W301-N348 HydrophobicContact CH2-CB 3.95Å; W301-N348 VanDerWaalsContact CH2-ND2 3.25Å; W301-N348 WeakPolarHBondContact CH2-ND2 3.44Å; W301-N348 WeakPolarHBondContact CZ2-ND2 3.4Å; W301-N348 HydrophobicContact CZ3-CB 3.64Å; W301-N348 WeakPolarHBondContact CZ3-ND2 3.3Å
302N51.4Low49.5Very low109 Ų10988.4 Ų88.458%0.58344%0.438SS*.THydrogen-bonded Turntrans-85.7-3.3173.1-84.6-26.7000113.9N300 Q304N300-N302 PolarHBondContact O-N 3.46Å; N302-Q304 PolarHBondContact O-N 3.4Å
303D55.6Low52.2Low37 Ų3781.7 Ų81.720%0.19840%0.402CS..  trans-59.4131.5179.1-100.759.1000110.9Y299 N300 S305 M306 N307Y299-D303 WeakPolarHBondContact CA-OD1 3.36Å; Y299-D303 WeakPolarHBondContact CD1-OD2 3.46Å; N300-D303 PolarHBondContact N-OD1 3.2Å; N300-D303 VanDerWaalsContact O-CB 3.29Å; N300-D303 WeakPolarHBondContact O-CB 3.5Å; N300-D303 PolarHBondContact O-N 3.09Å; D303-S305 WeakPolarHBondContact CB-OG 3.36Å; D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 PolarHBondContact OD2-OG 3.1Å; D303-M306 HydrophobicContact CB-CB 3.94Å; D303-M306 HydrophobicContact CB-CG 4.16Å; D303-M306 WeakPolarHBondContact O-CB 3.41Å; D303-M306 PolarHBondContact O-N 2.81Å; D303-M306 VanDerWaalsContact O-N 3.1Å; D303-N307 PolarHBondContact O-N 2.87Å; D303-N307 VanDerWaalsContact O-N 3.11Å; D303-N307 PolarHBondContact O-ND2 3.32Å
304Q55.4Low55Low155 Ų15575.5 Ų75.572%0.72437%0.369SS*.Hα-helixtrans-57.8-36167-160.2165.9-0.700110.1N302 M306 N307 E308N302-Q304 PolarHBondContact O-N 3.4Å; Q304-M306 PolarHBondContact O-N 2.85Å; Q304-N307 PolarHBondContact O-N 3.15Å; Q304-E308 WeakPolarHBondContact O-CG 3.32Å; Q304-E308 PolarHBondContact O-N 2.7Å
305S55.4Low57.7Low23 Ų2370.9 Ų70.916%0.16135%0.347CS..Hα-helixtrans-60.2-41.217376.30000113.6D303 E308 L309D303-S305 WeakPolarHBondContact CB-OG 3.36Å; D303-S305 PolarHBondContact O-N 3.07Å; D303-S305 PolarHBondContact OD2-OG 3.1Å; S305-E308 PolarHBondContact O-N 2.96Å; S305-L309 VanDerWaalsContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CB 3.19Å; S305-L309 WeakPolarHBondContact O-CD1 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.12Å; S305-L309 PolarHBondContact O-N 3.19Å
306M63.1Low60.5Low19 Ų1967.1 Ų67.19%0.09433%0.326CS..Hα-helixtrans-65.6-41.6174.7-91.5-82.9173.600112D303 Q304 E308 L309 Y310 S341D303-M306 HydrophobicContact CB-CB 3.94Å; D303-M306 HydrophobicContact CB-CG 4.16Å; D303-M306 WeakPolarHBondContact O-CB 3.41Å; D303-M306 PolarHBondContact O-N 2.81Å; D303-M306 VanDerWaalsContact O-N 3.1Å; Q304-M306 PolarHBondContact O-N 2.85Å; M306-E308 VanDerWaalsContact C-N 3.34Å; M306-L309 PolarHBondContact O-N 3.05Å; M306-Y310 HydrophobicContact CE-CE2 4.15Å; M306-Y310 WeakPolarHBondContact O-CD2 3.44Å; M306-Y310 PolarHBondContact O-N 3.16Å; M306-Y310 VanDerWaalsContact O-N 3.15Å; M306-Y310 HydrophobicContact SD-CD2 3.69Å; M306-Y310 HydrophobicContact SD-CE2 3.51Å; M306-Y310 VanDerWaalsContact SD-CE2 3.51Å; M306-S341 VanDerWaalsContact CE-CB 3.5Å; M306-S341 WeakPolarHBondContact CE-OG 3.28Å
307N63.1Low63.1Low53 Ų5361.5 Ų61.528%0.28330%0.3SS..Hα-helixtrans-69.2-31.8179.1-72.9-86.7000112.4D303 Q304 H311D303-N307 PolarHBondContact O-N 2.87Å; D303-N307 VanDerWaalsContact O-N 3.11Å; D303-N307 PolarHBondContact O-ND2 3.32Å; Q304-N307 PolarHBondContact O-N 3.15Å; N307-H311 WeakPolarHBondContact O-CA 3.36Å; N307-H311 WeakPolarHBondContact O-CB 3.32Å; N307-H311 PolarHBondContact O-N 3.45Å
308E63.5Low65.7Low106 Ų10660.6 Ų60.650%0.49529%0.286SS..Hα-helixtrans-70.5-49.2170.7-74168.9-156.800112.1Q304 S305 M306 Y310 N510Q304-E308 WeakPolarHBondContact O-CG 3.32Å; Q304-E308 PolarHBondContact O-N 2.7Å; S305-E308 PolarHBondContact O-N 2.96Å; M306-E308 VanDerWaalsContact C-N 3.34Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.13Å; E308-N510 PolarHBondContact OE2-ND2 3.32Å
309L65.9Low68Low40 Ų4064.6 Ų64.621%0.20931%0.307CS..Hα-helixtrans-61.7-35.4-176.3-75.5170.4000113.5S305 M306 I507S305-L309 VanDerWaalsContact O-CB 3.31Å; S305-L309 WeakPolarHBondContact O-CB 3.19Å; S305-L309 WeakPolarHBondContact O-CD1 3.44Å; S305-L309 WeakPolarHBondContact O-CG 3.12Å; S305-L309 PolarHBondContact O-N 3.19Å; M306-L309 PolarHBondContact O-N 3.05Å; L309-I507 HydrophobicContact CD2-CD1 3.65Å; L309-I507 HydrophobicContact CD2-CG2 4Å
310Y72.9Confident70.1Confident23 Ų2361.4 Ų61.49%0.0930%0.295CS..THydrogen-bonded Turntrans-122.227.6-173-54.7-73000113.3M306 E308 R312 E313 I314 C337 L342 L501M306-Y310 HydrophobicContact CE-CE2 4.15Å; M306-Y310 WeakPolarHBondContact O-CD2 3.44Å; M306-Y310 PolarHBondContact O-N 3.16Å; M306-Y310 VanDerWaalsContact O-N 3.15Å; M306-Y310 HydrophobicContact SD-CD2 3.69Å; M306-Y310 HydrophobicContact SD-CE2 3.51Å; M306-Y310 VanDerWaalsContact SD-CE2 3.51Å; E308-Y310 VanDerWaalsContact C-N 3.32Å; E308-Y310 PolarHBondContact O-N 3.13Å; Y310-R312 PolarHBondContact O-N 2.82Å; Y310-E313 WeakPolarHBondContact CA-OE2 3.27Å; Y310-E313 PolarHBondContact O-N 2.93Å; Y310-E313 VanDerWaalsContact O-N 3.15Å; Y310-I314 WeakPolarHBondContact O-CB 3.46Å; Y310-I314 VanDerWaalsContact O-CG1 3.28Å; Y310-I314 WeakPolarHBondContact O-CG1 3.26Å; Y310-I314 PolarHBondContact O-N 2.69Å; Y310-C337 PolarHBondContact OH-O 3.47Å; Y310-L342 HydrophobicContact CD1-CD1 4.25Å; Y310-L342 HydrophobicContact CG-CD1 4.28Å; Y310-L342 HydrophobicContact CG-CD2 4.26Å; Y310-L501 HydrophobicContact CD1-CD2 3.66Å; Y310-L501 HydrophobicContact CE1-CD2 3.86Å
311H75.6Confident71.9Confident120 Ų12060.2 Ų60.256%0.55629%0.288SS*.Hα-helixtrans-54.7-39.1-174.9-175.1-85.9000113.2N307 S315N307-H311 WeakPolarHBondContact O-CA 3.36Å; N307-H311 WeakPolarHBondContact O-CB 3.32Å; N307-H311 PolarHBondContact O-N 3.45Å; H311-S315 WeakPolarHBondContact O-CB 3.26Å; H311-S315 PolarHBondContact O-N 2.97Å; H311-S315 PolarHBondContact O-OG 2.94Å
312R80.5Confident73.5Confident164 Ų16460.8 Ų60.862%0.61930%0.299SS*.Hα-helixtrans-65.6-48.6178.5171.6-177.4178.6-153.62.9111.1Y310 S315 I316Y310-R312 PolarHBondContact O-N 2.82Å; R312-S315 WeakPolarHBondContact O-CA 3.4Å; R312-S315 WeakPolarHBondContact O-CB 3.43Å; R312-S315 PolarHBondContact O-N 3.14Å; R312-S315 VanDerWaalsContact O-N 3.13Å; R312-I316 HydrophobicContact CG-CD1 4.12Å; R312-I316 WeakPolarHBondContact O-CG1 3.27Å; R312-I316 PolarHBondContact O-N 2.68Å
313E81.2Confident74.9Confident21 Ų2158 Ų5810%0.09829%0.288CS..Hα-helixtrans-72.3-40.5-174.3-63.969.1-144.900110.6Y310 S315 I316 I317 I499 L501Y310-E313 WeakPolarHBondContact CA-OE2 3.27Å; Y310-E313 PolarHBondContact O-N 2.93Å; Y310-E313 VanDerWaalsContact O-N 3.15Å; E313-S315 PolarHBondContact O-N 3.13Å; E313-I316 PolarHBondContact O-N 2.87Å; E313-I317 WeakPolarHBondContact O-CB 3.49Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.38Å; E313-I317 PolarHBondContact O-N 3.06Å; E313-I499 HydrophobicContact CB-CG2 4.02Å; E313-I499 HydrophobicContact CG-CG2 3.6Å; E313-L501 HydrophobicContact CB-CD2 4.37Å; E313-L501 HydrophobicContact CG-CD2 3.81Å
314I83.4Confident76.1Confident4 Ų462.6 Ų62.62%0.02131%0.313CS..Hα-helixtrans-57.1-39.3168.3-70.4168.5000110.7Y310 I317 K318 L342 W345Y310-I314 WeakPolarHBondContact O-CB 3.46Å; Y310-I314 VanDerWaalsContact O-CG1 3.28Å; Y310-I314 WeakPolarHBondContact O-CG1 3.26Å; Y310-I314 PolarHBondContact O-N 2.69Å; I314-I317 PolarHBondContact O-N 2.99Å; I314-K318 HydrophobicContact CG2-CD 4.11Å; I314-K318 VanDerWaalsContact CG2-CE 3.45Å; I314-K318 WeakPolarHBondContact O-CB 3.09Å; I314-K318 WeakPolarHBondContact O-CG 3.42Å; I314-K318 PolarHBondContact O-N 3.42Å; I314-L342 HydrophobicContact CD1-CD2 4.28Å; I314-L342 HydrophobicContact CG1-CD2 3.65Å; I314-W345 HydrophobicContact CG2-CD2 4.38Å; I314-W345 HydrophobicContact CG2-CE3 4.46Å; I314-W345 HydrophobicContact CG2-CH2 3.88Å; I314-W345 HydrophobicContact CG2-CZ2 3.67Å; I314-W345 HydrophobicContact CG2-CZ3 4.23Å
315S82.3Confident77.4Confident37 Ų3756.5 Ų56.526%0.25929%0.287SS..Hα-helixtrans-68.8-38.2176.5-59.10000112.7H311 R312 E313 N319H311-S315 WeakPolarHBondContact O-CB 3.26Å; H311-S315 PolarHBondContact O-N 2.97Å; H311-S315 PolarHBondContact O-OG 2.94Å; R312-S315 WeakPolarHBondContact O-CA 3.4Å; R312-S315 WeakPolarHBondContact O-CB 3.43Å; R312-S315 PolarHBondContact O-N 3.14Å; R312-S315 VanDerWaalsContact O-N 3.13Å; E313-S315 PolarHBondContact O-N 3.13Å; S315-N319 VanDerWaalsContact O-CG 3.29Å; S315-N319 PolarHBondContact O-N 3.24Å; S315-N319 VanDerWaalsContact O-N 3.14Å
316I84.5Confident78.8Confident72 Ų7259.6 Ų59.637%0.36930%0.298SS..Hα-helixtrans-65.3-44.2173.6-63.9163.5000110.4R312 E313 N319 Y320 I499R312-I316 HydrophobicContact CG-CD1 4.12Å; R312-I316 WeakPolarHBondContact O-CG1 3.27Å; R312-I316 PolarHBondContact O-N 2.68Å; E313-I316 PolarHBondContact O-N 2.87Å; I316-N319 PolarHBondContact O-N 3.37Å; I316-Y320 WeakPolarHBondContact O-CB 3.41Å; I316-Y320 PolarHBondContact O-N 2.97Å; I316-I499 HydrophobicContact CB-CD1 4.18Å; I316-I499 HydrophobicContact CG2-CD1 3.67Å; I316-I499 HydrophobicContact CG2-CG1 4.01Å
317I86.8Confident80Confident1 Ų161.7 Ų61.71%0.00531%0.309CS..Hα-helixtrans-64.9-41.2178.3-67.7165.9000111.5E313 I314 N319 Y320 L321 I331 L342 W345 T346 L477 I499E313-I317 WeakPolarHBondContact O-CB 3.49Å; E313-I317 VanDerWaalsContact O-CG1 3.29Å; E313-I317 WeakPolarHBondContact O-CG1 3.38Å; E313-I317 PolarHBondContact O-N 3.06Å; I314-I317 PolarHBondContact O-N 2.99Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.95Å; I317-Y320 PolarHBondContact O-N 3.47Å; I317-L321 HydrophobicContact CG2-CD1 3.85Å; I317-L321 HydrophobicContact CG2-CG 4.26Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.48Å; I317-L321 PolarHBondContact O-N 3.41Å; I317-I331 HydrophobicContact CD1-CD1 3.97Å; I317-L342 HydrophobicContact CD1-CD2 4.47Å; I317-W345 HydrophobicContact CG2-CZ3 4.18Å; I317-T346 HydrophobicContact CG2-CG2 4.13Å; I317-L477 HydrophobicContact CG2-CD1 4.41Å; I317-I499 HydrophobicContact CD1-CD1 4.34Å; I317-I499 HydrophobicContact CG1-CD1 3.73Å
318K85Confident81.3Confident62 Ų6259.2 Ų59.227%0.2730%0.296SS..Hα-helixtrans-54.6-48.5171.9-77165.9-178.5167.50111.4I314 T322 W345 Y349I314-K318 HydrophobicContact CG2-CD 4.11Å; I314-K318 VanDerWaalsContact CG2-CE 3.45Å; I314-K318 WeakPolarHBondContact O-CB 3.09Å; I314-K318 WeakPolarHBondContact O-CG 3.42Å; I314-K318 PolarHBondContact O-N 3.42Å; K318-T322 WeakPolarHBondContact O-CG2 3.05Å; K318-T322 PolarHBondContact O-N 3.03Å; K318-T322 PolarHBondContact O-OG1 3.37Å; K318-W345 HydrophobicContact CD-CH2 4.15Å; K318-W345 VanDerWaalsContact CE-CH2 3.49Å; K318-W345 VanDerWaalsContact CE-CZ2 3.5Å; K318-W345 HydrophobicContact CG-CH2 3.57Å; K318-W345 HydrophobicContact CG-CZ2 4.45Å; K318-W345 HydrophobicContact CG-CZ3 4.26Å; K318-Y349 HydrophobicContact CB-CE1 4.16Å; K318-Y349 HydrophobicContact CG-CD1 4.36Å; K318-Y349 HydrophobicContact CG-CE1 3.73Å
319N84.5Confident82.5Confident110 Ų11054.6 Ų54.659%0.58828%0.276SS*.Hα-helixtrans-66.7-42.4179.5-68.7-5.3000111.3S315 I316 I317 T322 S323S315-N319 VanDerWaalsContact O-CG 3.29Å; S315-N319 PolarHBondContact O-N 3.24Å; S315-N319 VanDerWaalsContact O-N 3.14Å; I316-N319 PolarHBondContact O-N 3.37Å; I317-N319 VanDerWaalsContact C-N 3.32Å; I317-N319 PolarHBondContact O-N 2.95Å; N319-T322 PolarHBondContact O-N 3.12Å; N319-T322 PolarHBondContact O-OG1 3.32Å; N319-S323 WeakPolarHBondContact O-CB 3.48Å; N319-S323 PolarHBondContact O-N 2.9Å; N319-S323 PolarHBondContact O-OG 3.04Å
320Y86.2Confident83.7Confident32 Ų3252.7 Ų52.713%0.12527%0.266CS..Hα-helixtrans-57.5-52.3176.5176.9-105.4000112.1I316 I317 T322 S323 S325 L327 R475 L476 L477I316-Y320 WeakPolarHBondContact O-CB 3.41Å; I316-Y320 PolarHBondContact O-N 2.97Å; I317-Y320 PolarHBondContact O-N 3.47Å; Y320-T322 VanDerWaalsContact C-N 3.27Å; Y320-T322 PolarHBondContact O-N 3.15Å; Y320-S323 PolarHBondContact O-OG 3.11Å; Y320-S325 WeakPolarHBondContact CD2-OG 3.42Å; Y320-S325 WeakPolarHBondContact CE2-OG 3.06Å; Y320-S325 PolarHBondContact O-OG 2.85Å; Y320-L327 WeakPolarHBondContact CE2-O 3.33Å; Y320-L327 PolarHBondContact OH-O 2.69Å; Y320-R475 HydrophobicContact CE1-CB 3.99Å; Y320-R475 HydrophobicContact CE1-CG 4.24Å; Y320-R475 PolarHBondContact O-NE 3.24Å; Y320-L476 PolarHBondContact OH-N 2.91Å; Y320-L476 PolarHBondContact OH-O 3.48Å; Y320-L477 HydrophobicContact CD1-CD1 4.28Å; Y320-L477 HydrophobicContact CD1-CD2 3.74Å; Y320-L477 HydrophobicContact CD1-CG 4.14Å; Y320-L477 HydrophobicContact CE1-CD1 4.37Å; Y320-L477 HydrophobicContact CE1-CD2 3.55Å; Y320-L477 HydrophobicContact CE1-CG 3.8Å
321L85.5Confident84.5Confident9 Ų951.6 Ų51.65%0.04726%0.262CS..Hα-helixtrans-62.5-31.4-178.6-66.7170.1000113.2I317 T346 Y349 F350 L444 R475I317-L321 HydrophobicContact CG2-CD1 3.85Å; I317-L321 HydrophobicContact CG2-CG 4.26Å; I317-L321 VanDerWaalsContact O-CG 3.29Å; I317-L321 WeakPolarHBondContact O-CG 3.48Å; I317-L321 PolarHBondContact O-N 3.41Å; L321-T346 HydrophobicContact CD1-CG2 3.85Å; L321-T346 HydrophobicContact CD2-CG2 4.14Å; L321-T346 HydrophobicContact CG-CG2 4.48Å; L321-Y349 HydrophobicContact CD1-CD1 3.75Å; L321-Y349 HydrophobicContact CD1-CE1 4.34Å; L321-F350 HydrophobicContact CD2-CD2 4.23Å; L321-L444 HydrophobicContact CD2-CD1 3.92Å; L321-R475 HydrophobicContact CD2-CB 4.05Å; L321-R475 HydrophobicContact CD2-CG 3.98Å; L321-R475 PolarHBondContact O-NE 3.25Å
322T82Confident85.1Confident80 Ų8047.5 Ų47.549%0.49124%0.242SC..Hα-helixtrans-97.9-21.9-176.154.80000114.7K318 N319 Y320 I353K318-T322 WeakPolarHBondContact O-CG2 3.05Å; K318-T322 PolarHBondContact O-N 3.03Å; K318-T322 PolarHBondContact O-OG1 3.37Å; N319-T322 PolarHBondContact O-N 3.12Å; N319-T322 PolarHBondContact O-OG1 3.32Å; Y320-T322 VanDerWaalsContact C-N 3.27Å; Y320-T322 PolarHBondContact O-N 3.15Å; T322-I353 HydrophobicContact CG2-CD1 3.88Å
323S80.6Confident85.2Confident49 Ų4939.7 Ų39.734%0.34321%0.213SC..SBendtrans-72.4164.4176.673.50000112.8N319 Y320 S325 R475N319-S323 WeakPolarHBondContact O-CB 3.48Å; N319-S323 PolarHBondContact O-N 2.9Å; N319-S323 PolarHBondContact O-OG 3.04Å; Y320-S323 PolarHBondContact O-OG 3.11Å; S323-S325 PolarHBondContact O-N 2.69Å; S323-S325 WeakPolarHBondContact OG-CB 3.26Å; S323-S325 PolarHBondContact OG-N 2.81Å; S323-S325 PolarHBondContact OG-OG 3.48Å; S323-R475 PolarHBondContact O-NH2 3.48Å
324N80.1Confident85.1Confident134 Ų13440.1 Ų40.172%0.71722%0.217SC*.  trans-78.427172.7-67.1-13.6000113.5K326N324-K326 PolarHBondContact O-N 3.18Å
325S82.7Confident84.9Confident28 Ų2842.3 Ų42.320%0.19623%0.232CC..  trans-63.6127.9-178.859.60000112.1Y320 S323Y320-S325 WeakPolarHBondContact CD2-OG 3.42Å; Y320-S325 WeakPolarHBondContact CE2-OG 3.06Å; Y320-S325 PolarHBondContact O-OG 2.85Å; S323-S325 PolarHBondContact O-N 2.69Å; S323-S325 WeakPolarHBondContact OG-CB 3.26Å; S323-S325 PolarHBondContact OG-N 2.81Å; S323-S325 PolarHBondContact OG-OG 3.48Å
326K85.4Confident84.5Confident88 Ų8841.9 Ų41.938%0.38323%0.233SC..  trans-98.40.5170.4-57.8-172.8-164.1171.40114.3N324 E468 L469N324-K326 PolarHBondContact O-N 3.18Å; K326-E468 HydrophobicContact CB-CB 4.17Å; K326-E468 HydrophobicContact CB-CG 4.45Å; K326-E468 HydrophobicContact CD-CB 4.13Å; K326-E468 HydrophobicContact CD-CG 4.4Å; K326-E468 WeakPolarHBondContact CD-OE2 3.4Å; K326-E468 WeakPolarHBondContact CE-OE2 3.48Å; K326-E468 IonicContact NZ-OE2 2.95Å; K326-E468 PolarHBondContact NZ-OE2 3.15Å; K326-L469 WeakPolarHBondContact O-CB 3.08Å; K326-L469 WeakPolarHBondContact O-CG 3.37Å; K326-L469 PolarHBondContact O-N 3.48Å
327L88Confident84.1Confident63 Ų6338.8 Ų38.833%0.3322%0.218SC..SBendtrans-88.8148.2179.2-58176.8000109.7Y320 I467 F493 C497Y320-L327 WeakPolarHBondContact CE2-O 3.33Å; Y320-L327 PolarHBondContact OH-O 2.69Å; L327-I467 WeakPolarHBondContact CD2-O 3.42Å; L327-F493 HydrophobicContact CD2-CD1 4.45Å; L327-C497 WeakPolarHBondContact CD1-SG 3.17Å
328P90Very high83.6Confident1 Ų139.2 Ų39.21%0.00622%0.223CC..  trans-69161.7165.931.2-33.9000110.5L465 L476 F489 F493P328-L465 HydrophobicContact CB-CD1 4.21Å; P328-L465 HydrophobicContact CG-CD1 4.18Å; P328-L476 WeakPolarHBondContact CA-O 3.4Å; P328-L476 HydrophobicContact CB-CB 4.4Å; P328-L476 HydrophobicContact CB-CD2 3.89Å; P328-F489 HydrophobicContact CB-CE2 4.37Å; P328-F489 HydrophobicContact CB-CZ 4.43Å; P328-F489 HydrophobicContact CG-CE2 4.01Å; P328-F489 HydrophobicContact CG-CZ 4.12Å; P328-F493 HydrophobicContact CG-CD1 3.82Å; P328-F493 HydrophobicContact CG-CD2 3.91Å; P328-F493 HydrophobicContact CG-CE1 3.54Å; P328-F493 HydrophobicContact CG-CE2 3.64Å; P328-F493 HydrophobicContact CG-CG 4.01Å; P328-F493 HydrophobicContact CG-CZ 3.45Å; P328-F493 VanDerWaalsContact CG-CZ 3.45Å
329G89.2Confident83.6Confident8 Ų836.7 Ų36.78%0.08221%0.211CC..EExtended strand (participates in β ladder)trans-117.6141.7172.900000112.5L476 L477 I478G329-L476 PolarHBondContact N-O 3.31Å; G329-L477 WeakPolarHBondContact O-CA 3.49Å; G329-I478 PolarHBondContact O-N 3.32Å
330L91.2Very high83.5Confident0 Ų033.7 Ų33.70%020%0.197CC..EExtended strand (participates in β ladder)trans-111.3136.5174.5-175.768.4000110.3I478 T480 F489 C497 C498 I499L330-I478 CarbonylContact C-O 3.55Å; L330-I478 WeakPolarHBondContact CA-O 3.24Å; L330-I478 HydrophobicContact CD1-CB 3.84Å; L330-I478 HydrophobicContact CD1-CG2 3.79Å; L330-T480 HydrophobicContact CD1-CG2 3.72Å; L330-T480 HydrophobicContact CD2-CG2 4.03Å; L330-T480 HydrophobicContact CG-CG2 4.05Å; L330-F489 HydrophobicContact CB-CD1 3.63Å; L330-F489 HydrophobicContact CB-CD2 4.17Å; L330-F489 HydrophobicContact CB-CE1 3.46Å; L330-F489 VanDerWaalsContact CB-CE1 3.46Å; L330-F489 HydrophobicContact CB-CE2 4.04Å; L330-F489 HydrophobicContact CB-CG 3.98Å; L330-F489 HydrophobicContact CB-CZ 3.69Å; L330-F489 HydrophobicContact CD2-CB 3.73Å; L330-F489 HydrophobicContact CD2-CD1 3.83Å; L330-F489 HydrophobicContact CD2-CD2 4.36Å; L330-F489 HydrophobicContact CD2-CG 3.72Å; L330-F489 HydrophobicContact CG-CD1 4.36Å; L330-F489 HydrophobicContact CG-CG 4.39Å; L330-C497 PolarHBondContact N-O 3.38Å; L330-C498 HydrophobicContact CB-CB 4.49Å; L330-C498 CarbonylContact O-C 3.59Å; L330-C498 WeakPolarHBondContact O-CA 3.43Å; L330-I499 PolarHBondContact O-N 3.29Å
331I90.3Very high83.1Confident0 Ų033.5 Ų33.50%020%0.201CC..EExtended strand (participates in β ladder)trans-115.3100.4174.5-54.5176.2000108.1I317 K339 L343 I478 T479 T480 I499 L501I317-I331 HydrophobicContact CD1-CD1 3.97Å; I331-K339 HydrophobicContact CG2-CG 4.21Å; I331-K339 WeakPolarHBondContact O-CD 3.39Å; I331-L343 HydrophobicContact CD1-CD2 4.19Å; I331-I478 PolarHBondContact N-O 3.27Å; I331-T479 HydrophobicContact CB-CG2 4.09Å; I331-T479 HydrophobicContact CD1-CG2 4.44Å; I331-T479 CarbonylContact O-C 3.52Å; I331-T479 VanDerWaalsContact O-CA 3.26Å; I331-T479 WeakPolarHBondContact O-CA 3.49Å; I331-T480 PolarHBondContact O-N 2.96Å; I331-I499 CarbonylContact C-O 3.58Å; I331-I499 WeakPolarHBondContact CA-O 3.41Å; I331-I499 HydrophobicContact CG1-CB 4.48Å; I331-I499 HydrophobicContact CG1-CD1 4.41Å; I331-L501 HydrophobicContact CG2-CD1 3.6Å; I331-L501 HydrophobicContact CG2-CG 4.16Å
332Y88.5Confident83Confident35 Ų3533.3 Ų33.314%0.13720%0.2CC..EExtended strand (participates in β ladder)trans-93.9148.1177.4165.5-107.8000111.6T480 E483 I486 I499 N500 L501Y332-T480 WeakPolarHBondContact CA-O 3.24Å; Y332-T480 HydrophobicContact CD2-CG2 4.09Å; Y332-E483 HydrophobicContact CE2-CG 4.48Å; Y332-I486 HydrophobicContact CD1-CD1 3.36Å; Y332-I486 HydrophobicContact CD1-CG1 4.29Å; Y332-I486 HydrophobicContact CD2-CD1 3.57Å; Y332-I486 HydrophobicContact CD2-CG1 3.89Å; Y332-I486 HydrophobicContact CE1-CD1 3.62Å; Y332-I486 HydrophobicContact CE2-CD1 3.82Å; Y332-I486 HydrophobicContact CE2-CG1 4.47Å; Y332-I486 HydrophobicContact CG-CD1 3.32Å; Y332-I486 HydrophobicContact CG-CG1 3.77Å; Y332-I499 PolarHBondContact N-O 3.46Å; Y332-N500 HydrophobicContact CD1-CB 4.32Å; Y332-N500 WeakPolarHBondContact CD1-OD1 3.3Å; Y332-L501 VanDerWaalsContact O-CB 3.3Å; Y332-L501 WeakPolarHBondContact O-CB 2.99Å; Y332-L501 PolarHBondContact O-N 3.39Å
333G82.8Confident83.3Confident0 Ų029.5 Ų29.50%018%0.176CC..  trans172.3170.9163.300000113.3C337 K339 T480 N481G333-C337 VanDerWaalsContact C-SG 3.52Å; G333-K339 PolarHBondContact O-NZ 3.32Å; G333-T480 PolarHBondContact N-O 3.01Å; G333-T480 VanDerWaalsContact N-O 3.1Å; G333-N481 WeakPolarHBondContact O-CA 3.49Å; G333-N481 PolarHBondContact O-OD1 2.98Å
334P79.1Confident83.4Confident30 Ų3028 Ų2820%0.19516%0.163CC..  trans-66.9163.8-175.225.3-32.8000114.5G336 C337 K339 L501 T557P334-G336 PolarHBondContact O-N 2.89Å; P334-C337 HydrophobicContact CG-CB 4.08Å; P334-C337 VanDerWaalsContact O-CB 3.28Å; P334-C337 WeakPolarHBondContact O-CB 3.43Å; P334-C337 PolarHBondContact O-N 2.97Å; P334-C337 VanDerWaalsContact O-N 3.14Å; P334-C337 PolarHBondContact O-SG 3.32Å; P334-K339 PolarHBondContact O-NZ 2.81Å; P334-L501 WeakPolarHBondContact CD-O 3.09Å; P334-T557 HydrophobicContact CB-CG2 4.39Å; P334-T557 HydrophobicContact CG-CG2 4.1Å
335P77.6Confident83.6Confident50 Ų5023 Ų2333%0.32513%0.134SC..THydrogen-bonded Turntrans-59.5128.5-179.822.1-33.1000112.3N481 T557 S695P335-N481 VanDerWaalsContact CA-OD1 3.25Å; P335-N481 WeakPolarHBondContact CA-OD1 3.15Å; P335-T557 PolarHBondContact O-OG1 3.23Å; P335-S695 WeakPolarHBondContact CB-OG 3.3Å; P335-S695 WeakPolarHBondContact CG-OG 3.38Å
336G74Confident83.8Confident28 Ų2821.6 Ų21.629%0.28913%0.125SC..THydrogen-bonded Turntrans84.45-177.500000116P334 G338 P558P334-G336 PolarHBondContact O-N 2.89Å; G336-G338 PolarHBondContact O-N 3.5Å; G336-G338 VanDerWaalsContact O-N 3.09Å; G336-P558 WeakPolarHBondContact O-CD 3.23Å
337C76.1Confident83.8Confident7 Ų717.4 Ų17.45%0.04711%0.106CC..SBendtrans-77.728.2178.578.50000115.5Y310 G333 P334 K339Y310-C337 PolarHBondContact OH-O 3.47Å; G333-C337 VanDerWaalsContact C-SG 3.52Å; P334-C337 HydrophobicContact CG-CB 4.08Å; P334-C337 VanDerWaalsContact O-CB 3.28Å; P334-C337 WeakPolarHBondContact O-CB 3.43Å; P334-C337 PolarHBondContact O-N 2.97Å; P334-C337 VanDerWaalsContact O-N 3.14Å; P334-C337 PolarHBondContact O-SG 3.32Å; C337-K339 PolarHBondContact O-N 3.3Å
338G77Confident83.6Confident10 Ų1015.9 Ų15.910%0.10310%0.099CC..SBendtrans74.8917200000117.9G336 T340 S341 L342G336-G338 PolarHBondContact O-N 3.5Å; G336-G338 VanDerWaalsContact O-N 3.09Å; G338-T340 PolarHBondContact O-N 2.92Å; G338-S341 WeakPolarHBondContact O-CA 3.41Å; G338-S341 VanDerWaalsContact O-CB 3.26Å; G338-S341 WeakPolarHBondContact O-CB 3.47Å; G338-S341 PolarHBondContact O-N 3.23Å; G338-L342 PolarHBondContact O-N 3.06Å
339K84.4Confident83.2Confident8 Ų818.8 Ų18.84%0.03511%0.11CC..Hα-helixtrans-49.1-54.7-179.9-70.5-174.1-56.7-78.70113.8I331 G333 P334 C337 S341 L342 L343 T479 T480 N481 L501I331-K339 HydrophobicContact CG2-CG 4.21Å; I331-K339 WeakPolarHBondContact O-CD 3.39Å; G333-K339 PolarHBondContact O-NZ 3.32Å; P334-K339 PolarHBondContact O-NZ 2.81Å; C337-K339 PolarHBondContact O-N 3.3Å; K339-S341 PolarHBondContact O-N 2.99Å; K339-L342 WeakPolarHBondContact O-CB 3.31Å; K339-L342 PolarHBondContact O-N 3.45Å; K339-L343 PolarHBondContact O-N 2.86Å; K339-T479 HydrophobicContact CB-CG2 3.93Å; K339-T480 WeakPolarHBondContact CE-O 3.1Å; K339-N481 VanDerWaalsContact NZ-CG 3.29Å; K339-N481 PolarHBondContact NZ-OD1 3.48Å; K339-L501 HydrophobicContact CD-CD1 4.32Å; K339-L501 HydrophobicContact CG-CD1 3.49Å; K339-L501 VanDerWaalsContact CG-CD1 3.49Å
340T82.7Confident82.9Confident47 Ų4718.6 Ų18.629%0.28811%0.107SC..Hα-helixtrans-56.5-34.5175.3-47.90000112.7L261 G338 L343 R344 D448L261-T340 HydrophobicContact CD1-CG2 3.94Å; G338-T340 PolarHBondContact O-N 2.92Å; T340-L343 PolarHBondContact O-N 2.98Å; T340-R344 WeakPolarHBondContact O-CB 3.43Å; T340-R344 PolarHBondContact O-N 3.47Å; T340-D448 VanDerWaalsContact CB-OD2 3.32Å; T340-D448 WeakPolarHBondContact CB-OD2 3.48Å; T340-D448 VanDerWaalsContact CG2-OD2 3.32Å; T340-D448 WeakPolarHBondContact CG2-OD2 3.22Å; T340-D448 PolarHBondContact OG1-OD2 3.3Å
341S79.2Confident82.5Confident29 Ų2922 Ų2220%0.20312%0.122CC..Hα-helixtrans-71.1-37.3176.5-48.50000112.3M306 G338 K339 R344 W345M306-S341 VanDerWaalsContact CE-CB 3.5Å; M306-S341 WeakPolarHBondContact CE-OG 3.28Å; G338-S341 WeakPolarHBondContact O-CA 3.41Å; G338-S341 VanDerWaalsContact O-CB 3.26Å; G338-S341 WeakPolarHBondContact O-CB 3.47Å; G338-S341 PolarHBondContact O-N 3.23Å; K339-S341 PolarHBondContact O-N 2.99Å; S341-R344 PolarHBondContact O-N 3.18Å; S341-W345 WeakPolarHBondContact O-CB 3.45Å; S341-W345 PolarHBondContact O-N 3.14Å
342L83.1Confident81.8Confident4 Ų426 Ų262%0.02114%0.14CC..Hα-helixtrans-66.7-38.4171.8-73.8166.6000111.7Y310 I314 I317 G338 K339 W345 T346 L501Y310-L342 HydrophobicContact CD1-CD1 4.25Å; Y310-L342 HydrophobicContact CG-CD1 4.28Å; Y310-L342 HydrophobicContact CG-CD2 4.26Å; I314-L342 HydrophobicContact CD1-CD2 4.28Å; I314-L342 HydrophobicContact CG1-CD2 3.65Å; I317-L342 HydrophobicContact CD1-CD2 4.47Å; G338-L342 PolarHBondContact O-N 3.06Å; K339-L342 WeakPolarHBondContact O-CB 3.31Å; K339-L342 PolarHBondContact O-N 3.45Å; L342-W345 PolarHBondContact O-N 3.18Å; L342-T346 WeakPolarHBondContact O-CB 3.49Å; L342-T346 PolarHBondContact O-N 3.12Å; L342-T346 PolarHBondContact O-OG1 3.33Å; L342-L501 HydrophobicContact CD1-CD1 3.96Å; L342-L501 HydrophobicContact CD1-CD2 3.72Å; L342-L501 HydrophobicContact CD1-CG 4.46Å
343L87.5Confident81.2Confident0 Ų026.7 Ų26.70%015%0.146CC..Hα-helixtrans-63.9-45171.5-70-167.1000112.2L261 I331 K339 T340 W345 T346 V347 L446 D448 L477 T479L261-L343 HydrophobicContact CD1-CB 3.92Å; L261-L343 HydrophobicContact CD1-CD1 4.1Å; L261-L343 HydrophobicContact CD2-CB 4.25Å; I331-L343 HydrophobicContact CD1-CD2 4.19Å; K339-L343 PolarHBondContact O-N 2.86Å; T340-L343 PolarHBondContact O-N 2.98Å; L343-W345 VanDerWaalsContact C-N 3.32Å; L343-W345 PolarHBondContact O-N 2.78Å; L343-T346 WeakPolarHBondContact O-CA 3.39Å; L343-T346 VanDerWaalsContact O-CB 3.29Å; L343-T346 WeakPolarHBondContact O-CB 3.43Å; L343-T346 PolarHBondContact O-N 3.24Å; L343-T346 VanDerWaalsContact O-N 3.08Å; L343-V347 PolarHBondContact O-N 2.67Å; L343-L446 HydrophobicContact CB-CD1 4.16Å; L343-L446 HydrophobicContact CD2-CD1 4.28Å; L343-L446 HydrophobicContact CD2-CD2 4.19Å; L343-D448 HydrophobicContact CD1-CB 3.63Å; L343-D448 VanDerWaalsContact CD1-OD1 3.3Å; L343-D448 WeakPolarHBondContact CD1-OD1 3.28Å; L343-L477 HydrophobicContact CD2-CB 4.43Å; L343-T479 HydrophobicContact CD1-CG2 3.62Å; L343-T479 HydrophobicContact CD2-CG2 3.84Å; L343-T479 HydrophobicContact CG-CG2 3.63Å
344R83.3Confident80.5Confident18 Ų1828.7 Ų28.77%0.06816%0.155CC..Hα-helixtrans-57-45.2174.8-171.4-176.5-60.7-161.5-13.6111.6L261 M262 Y263 P264 N300 W301 T340 S341 N348L261-R344 PolarHBondContact O-NE 3.41Å; L261-R344 PolarHBondContact O-NH2 2.96Å; M262-R344 WeakPolarHBondContact O-CD 3.4Å; M262-R344 PolarHBondContact O-NE 3.06Å; M262-R344 PolarHBondContact O-NH1 3.18Å; M262-R344 PolarHBondContact O-NH2 2.87Å; M262-R344 HydrophobicContact SD-CG 4Å; Y263-R344 PolarHBondContact O-NH2 3Å; P264-R344 VanDerWaalsContact N-NH1 3.19Å; N300-R344 PolarHBondContact OD1-NH1 3.37Å; W301-R344 HydrophobicContact CB-CB 4.25Å; W301-R344 HydrophobicContact CB-CG 4Å; W301-R344 HydrophobicContact CG-CG 3.84Å; T340-R344 WeakPolarHBondContact O-CB 3.43Å; T340-R344 PolarHBondContact O-N 3.47Å; S341-R344 PolarHBondContact O-N 3.18Å; R344-N348 PolarHBondContact O-N 2.8Å; R344-N348 PolarHBondContact O-ND2 2.75Å
345W83.6Confident79.9Confident28 Ų2830.8 Ų30.811%0.10617%0.17CC..Hα-helixtrans-59.6-44.9173-175.498.2000111.9W301 I314 I317 K318 S341 L342 L343 V347 N348 Y349W301-W345 HydrophobicContact CB-CB 4.42Å; I314-W345 HydrophobicContact CG2-CD2 4.38Å; I314-W345 HydrophobicContact CG2-CE3 4.46Å; I314-W345 HydrophobicContact CG2-CH2 3.88Å; I314-W345 HydrophobicContact CG2-CZ2 3.67Å; I314-W345 HydrophobicContact CG2-CZ3 4.23Å; I317-W345 HydrophobicContact CG2-CZ3 4.18Å; K318-W345 HydrophobicContact CD-CH2 4.15Å; K318-W345 VanDerWaalsContact CE-CH2 3.49Å; K318-W345 VanDerWaalsContact CE-CZ2 3.5Å; K318-W345 HydrophobicContact CG-CH2 3.57Å; K318-W345 HydrophobicContact CG-CZ2 4.45Å; K318-W345 HydrophobicContact CG-CZ3 4.26Å; S341-W345 WeakPolarHBondContact O-CB 3.45Å; S341-W345 PolarHBondContact O-N 3.14Å; L342-W345 PolarHBondContact O-N 3.18Å; L343-W345 VanDerWaalsContact C-N 3.32Å; L343-W345 PolarHBondContact O-N 2.78Å; W345-V347 PolarHBondContact O-N 2.97Å; W345-N348 PolarHBondContact O-N 3.31Å; W345-Y349 AromaticContact CH2-CD1 3.57Å; W345-Y349 HydrophobicContact CH2-CD1 3.57Å; W345-Y349 AromaticContact CH2-CD2 3.77Å; W345-Y349 HydrophobicContact CH2-CD2 3.77Å; W345-Y349 HydrophobicContact CH2-CE1 4.15Å; W345-Y349 HydrophobicContact CH2-CE2 4.34Å; W345-Y349 AromaticContact CH2-CG 3.35Å; W345-Y349 HydrophobicContact CH2-CG 3.35Å; W345-Y349 HydrophobicContact CZ2-CD2 4.11Å; W345-Y349 HydrophobicContact CZ2-CG 4.03Å; W345-Y349 AromaticContact CZ3-CD1 3.82Å; W345-Y349 HydrophobicContact CZ3-CD1 3.82Å; W345-Y349 AromaticContact CZ3-CG 3.83Å; W345-Y349 HydrophobicContact CZ3-CG 3.83Å; W345-Y349 WeakPolarHBondContact O-CB 3.32Å; W345-Y349 PolarHBondContact O-N 3.41Å
346T86.5Confident78.7Confident0 Ų033.6 Ų33.60%018%0.177CC..Hα-helixtrans-58.2-48.1-180-59.90000112I317 L321 L342 L343 N348 Y349 F350 L444 L446 L477I317-T346 HydrophobicContact CG2-CG2 4.13Å; L321-T346 HydrophobicContact CD1-CG2 3.85Å; L321-T346 HydrophobicContact CD2-CG2 4.14Å; L321-T346 HydrophobicContact CG-CG2 4.48Å; L342-T346 WeakPolarHBondContact O-CB 3.49Å; L342-T346 PolarHBondContact O-N 3.12Å; L342-T346 PolarHBondContact O-OG1 3.33Å; L343-T346 WeakPolarHBondContact O-CA 3.39Å; L343-T346 VanDerWaalsContact O-CB 3.29Å; L343-T346 WeakPolarHBondContact O-CB 3.43Å; L343-T346 PolarHBondContact O-N 3.24Å; L343-T346 VanDerWaalsContact O-N 3.08Å; T346-N348 VanDerWaalsContact C-N 3.35Å; T346-N348 PolarHBondContact O-N 3.12Å; T346-Y349 PolarHBondContact O-N 2.85Å; T346-F350 WeakPolarHBondContact O-CB 3.44Å; T346-F350 PolarHBondContact O-N 3.06Å; T346-L444 HydrophobicContact CG2-CD2 4.25Å; T346-L446 HydrophobicContact CG2-CD2 4.33Å; T346-L477 HydrophobicContact CG2-CD1 3.64Å
347V85.9Confident77.1Confident0 Ų035.6 Ų35.60%019%0.187CC..Hα-helixtrans-59.6-47.1178.8179.50000111.1L261 M262 L343 W345 Y349 F350 K351 I381 I383 L446L261-V347 HydrophobicContact CD2-CG2 3.89Å; M262-V347 HydrophobicContact CE-CB 3.46Å; M262-V347 VanDerWaalsContact CE-CB 3.46Å; M262-V347 HydrophobicContact CE-CG1 3.28Å; M262-V347 HydrophobicContact CE-CG2 3.95Å; L343-V347 PolarHBondContact O-N 2.67Å; W345-V347 PolarHBondContact O-N 2.97Å; V347-Y349 VanDerWaalsContact C-N 3.33Å; V347-Y349 PolarHBondContact O-N 2.96Å; V347-F350 PolarHBondContact O-N 3.16Å; V347-K351 HydrophobicContact CG1-CD 4.22Å; V347-K351 HydrophobicContact CG1-CG 4.33Å; V347-K351 WeakPolarHBondContact O-CG 3.41Å; V347-K351 PolarHBondContact O-N 3.21Å; V347-I381 HydrophobicContact CG1-CD1 4.07Å; V347-I381 HydrophobicContact CG1-CG2 3.92Å; V347-I381 HydrophobicContact CG2-CG2 4.35Å; V347-I383 HydrophobicContact CG2-CD1 4.13Å; V347-L446 HydrophobicContact CG2-CD1 3.22Å; V347-L446 HydrophobicContact CG2-CG 4.36Å
348N83.3Confident75.4Confident31 Ų3141.5 Ų41.517%0.16621%0.214CC..Hα-helixtrans-67.6-36.8-175.5-68.8-19.7000111.3W301 R344 W345 T346 H352W301-N348 HydrophobicContact CE3-CB 4.14Å; W301-N348 HydrophobicContact CH2-CB 3.95Å; W301-N348 VanDerWaalsContact CH2-ND2 3.25Å; W301-N348 WeakPolarHBondContact CH2-ND2 3.44Å; W301-N348 WeakPolarHBondContact CZ2-ND2 3.4Å; W301-N348 HydrophobicContact CZ3-CB 3.64Å; W301-N348 WeakPolarHBondContact CZ3-ND2 3.3Å; R344-N348 PolarHBondContact O-N 2.8Å; R344-N348 PolarHBondContact O-ND2 2.75Å; W345-N348 PolarHBondContact O-N 3.31Å; T346-N348 VanDerWaalsContact C-N 3.35Å; T346-N348 PolarHBondContact O-N 3.12Å; N348-H352 VanDerWaalsContact O-CB 3.22Å; N348-H352 WeakPolarHBondContact O-CB 3.24Å; N348-H352 PolarHBondContact O-N 3.06Å
349Y81.9Confident73.7Confident61 Ų6145.5 Ų45.524%0.23924%0.236CC..Hα-helixtrans-67-41.5172.4-175.1-113.2000112.7K318 L321 W345 T346 V347 H352 I353K318-Y349 HydrophobicContact CB-CE1 4.16Å; K318-Y349 HydrophobicContact CG-CD1 4.36Å; K318-Y349 HydrophobicContact CG-CE1 3.73Å; L321-Y349 HydrophobicContact CD1-CD1 3.75Å; L321-Y349 HydrophobicContact CD1-CE1 4.34Å; W345-Y349 AromaticContact CH2-CD1 3.57Å; W345-Y349 HydrophobicContact CH2-CD1 3.57Å; W345-Y349 AromaticContact CH2-CD2 3.77Å; W345-Y349 HydrophobicContact CH2-CD2 3.77Å; W345-Y349 HydrophobicContact CH2-CE1 4.15Å; W345-Y349 HydrophobicContact CH2-CE2 4.34Å; W345-Y349 AromaticContact CH2-CG 3.35Å; W345-Y349 HydrophobicContact CH2-CG 3.35Å; W345-Y349 HydrophobicContact CZ2-CD2 4.11Å; W345-Y349 HydrophobicContact CZ2-CG 4.03Å; W345-Y349 AromaticContact CZ3-CD1 3.82Å; W345-Y349 HydrophobicContact CZ3-CD1 3.82Å; W345-Y349 AromaticContact CZ3-CG 3.83Å; W345-Y349 HydrophobicContact CZ3-CG 3.83Å; W345-Y349 WeakPolarHBondContact O-CB 3.32Å; W345-Y349 PolarHBondContact O-N 3.41Å; T346-Y349 PolarHBondContact O-N 2.85Å; V347-Y349 VanDerWaalsContact C-N 3.33Å; V347-Y349 PolarHBondContact O-N 2.96Å; Y349-H352 PolarHBondContact O-N 2.78Å; Y349-I353 HydrophobicContact CD1-CD1 3.75Å; Y349-I353 HydrophobicContact CE1-CD1 3.38Å; Y349-I353 HydrophobicContact CE1-CG1 4.22Å; Y349-I353 HydrophobicContact CE2-CD1 4.44Å; Y349-I353 HydrophobicContact CE2-CG1 4.43Å; Y349-I353 HydrophobicContact CG-CD1 4.42Å; Y349-I353 WeakPolarHBondContact O-CG1 3.47Å; Y349-I353 PolarHBondContact O-N 2.72Å
350F83.7Confident71Confident4 Ų451.9 Ų51.92%0.01827%0.271CS..Hα-helixtrans-65.2-44.4177-176.4-102.5000112.6L321 T346 V347 H352 I353 H354 P379 I381 P442 L444L321-F350 HydrophobicContact CD2-CD2 4.23Å; T346-F350 WeakPolarHBondContact O-CB 3.44Å; T346-F350 PolarHBondContact O-N 3.06Å; V347-F350 PolarHBondContact O-N 3.16Å; F350-H352 VanDerWaalsContact C-N 3.32Å; F350-H352 PolarHBondContact O-N 3.13Å; F350-I353 PolarHBondContact O-N 3.16Å; F350-H354 AromaticContact CD2-CD2 3.88Å; F350-H354 AromaticContact CD2-NE2 3.99Å; F350-H354 AromaticContact CE2-CD2 3.54Å; F350-H354 AromaticContact CE2-NE2 3.37Å; F350-H354 WeakPolarHBondContact CE2-NE2 3.41Å; F350-H354 AromaticContact CZ-CD2 3.62Å; F350-H354 AromaticContact CZ-NE2 3.7Å; F350-H354 PolarHBondContact O-N 3.19Å; F350-P379 HydrophobicContact CD1-CB 4.28Å; F350-P379 HydrophobicContact CE1-CB 3.74Å; F350-I381 HydrophobicContact CD1-CD1 4.09Å; F350-I381 HydrophobicContact CD1-CG1 3.85Å; F350-I381 HydrophobicContact CE1-CG1 4.05Å; F350-P442 HydrophobicContact CZ-CB 4.15Å; F350-P442 HydrophobicContact CZ-CG 4.37Å; F350-L444 HydrophobicContact CB-CD2 3.78Å; F350-L444 HydrophobicContact CD1-CB 3.63Å; F350-L444 HydrophobicContact CD1-CD2 3.84Å; F350-L444 HydrophobicContact CD1-CG 4.35Å; F350-L444 HydrophobicContact CD2-CB 4.38Å; F350-L444 HydrophobicContact CD2-CD2 4.47Å; F350-L444 HydrophobicContact CE1-CB 3.47Å; F350-L444 VanDerWaalsContact CE1-CB 3.47Å; F350-L444 HydrophobicContact CE2-CB 4.24Å; F350-L444 HydrophobicContact CG-CB 4.09Å; F350-L444 HydrophobicContact CG-CD2 3.79Å; F350-L444 HydrophobicContact CG-CG 4.46Å; F350-L444 HydrophobicContact CZ-CB 3.79Å
351K81.5Confident68.6Low73 Ų7357.5 Ų57.532%0.31730%0.299SS..Hα-helixtrans-54.4-49.2170.4-75-175.9174.8-171.90111Y258 V347 I353 H354 S355 I381Y258-K351 PolarHBondContact OH-NZ 3.26Å; V347-K351 HydrophobicContact CG1-CD 4.22Å; V347-K351 HydrophobicContact CG1-CG 4.33Å; V347-K351 WeakPolarHBondContact O-CG 3.41Å; V347-K351 PolarHBondContact O-N 3.21Å; K351-I353 PolarHBondContact O-N 3.34Å; K351-H354 PolarHBondContact O-N 2.88Å; K351-S355 WeakPolarHBondContact O-CB 3.29Å; K351-S355 PolarHBondContact O-N 3.24Å; K351-S355 PolarHBondContact O-OG 3Å; K351-I381 HydrophobicContact CD-CD1 4.06Å; K351-I381 HydrophobicContact CG-CD1 3.34Å
352H76Confident66.1Low84 Ų8465 Ų6539%0.38933%0.331SS..Hα-helixtrans-64.6-35.4-178.1165.4-90000113.8N348 Y349 F350 S355 K356N348-H352 VanDerWaalsContact O-CB 3.22Å; N348-H352 WeakPolarHBondContact O-CB 3.24Å; N348-H352 PolarHBondContact O-N 3.06Å; Y349-H352 PolarHBondContact O-N 2.78Å; F350-H352 VanDerWaalsContact C-N 3.32Å; F350-H352 PolarHBondContact O-N 3.13Å; H352-S355 WeakPolarHBondContact CA-OG 3.5Å; H352-S355 PolarHBondContact O-OG 3.16Å; H352-K356 WeakPolarHBondContact NE2-CE 3.19Å; H352-K356 PolarHBondContact NE2-NZ 3.18Å
353I75.8Confident63.4Low49 Ų4971.2 Ų71.225%0.25137%0.369SS..Hα-helixtrans-61.7-57.1172.6-71.4162.1000109.8T322 Y349 F350 K351 S355 K356T322-I353 HydrophobicContact CG2-CD1 3.88Å; Y349-I353 HydrophobicContact CD1-CD1 3.75Å; Y349-I353 HydrophobicContact CE1-CD1 3.38Å; Y349-I353 HydrophobicContact CE1-CG1 4.22Å; Y349-I353 HydrophobicContact CE2-CD1 4.44Å; Y349-I353 HydrophobicContact CE2-CG1 4.43Å; Y349-I353 HydrophobicContact CG-CD1 4.42Å; Y349-I353 WeakPolarHBondContact O-CG1 3.47Å; Y349-I353 PolarHBondContact O-N 2.72Å; F350-I353 PolarHBondContact O-N 3.16Å; K351-I353 PolarHBondContact O-N 3.34Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.99Å; I353-K356 PolarHBondContact O-N 2.8Å
354H69.4Low60.5Low42 Ų4278.1 Ų78.119%0.19441%0.411CS..Hα-helixtrans-73.7-17.2-172.3-71.5-64.8000113.8F350 K351 K356 S357 I377 P379F350-H354 AromaticContact CD2-CD2 3.88Å; F350-H354 AromaticContact CD2-NE2 3.99Å; F350-H354 AromaticContact CE2-CD2 3.54Å; F350-H354 AromaticContact CE2-NE2 3.37Å; F350-H354 WeakPolarHBondContact CE2-NE2 3.41Å; F350-H354 AromaticContact CZ-CD2 3.62Å; F350-H354 AromaticContact CZ-NE2 3.7Å; F350-H354 PolarHBondContact O-N 3.19Å; K351-H354 PolarHBondContact O-N 2.88Å; H354-K356 VanDerWaalsContact C-N 3.34Å; H354-S357 PolarHBondContact O-OG 3.31Å; H354-I377 HydrophobicContact CB-CG2 4.16Å; H354-P379 HydrophobicContact CB-CB 4.02Å; H354-P379 HydrophobicContact CB-CG 4Å
355S64.8Low57.6Low73 Ų7381.5 Ų81.551%0.5144%0.437SS..THydrogen-bonded Turntrans-74.7-17.5168.162.10000114.5K351 H352 I353K351-S355 WeakPolarHBondContact O-CB 3.29Å; K351-S355 PolarHBondContact O-N 3.24Å; K351-S355 PolarHBondContact O-OG 3Å; H352-S355 WeakPolarHBondContact CA-OG 3.5Å; H352-S355 PolarHBondContact O-OG 3.16Å; I353-S355 VanDerWaalsContact C-N 3.28Å; I353-S355 PolarHBondContact O-N 2.99Å
356K52.3Low54.9Low109 Ų10987.8 Ų87.847%0.47447%0.473SS..G310 helixtrans-92.7-3.9-170.8-89.6-176.4166175.30115.6H352 I353 H354 E358 T359H352-K356 WeakPolarHBondContact NE2-CE 3.19Å; H352-K356 PolarHBondContact NE2-NZ 3.18Å; I353-K356 PolarHBondContact O-N 2.8Å; H354-K356 VanDerWaalsContact C-N 3.34Å; K356-E358 PolarHBondContact O-N 3.38Å; K356-T359 PolarHBondContact O-N 3.03Å; K356-T359 PolarHBondContact O-OG1 3.43Å
357S41.9Very low51.9Low71 Ų7193.4 Ų93.450%0.49751%0.512SS..G310 helixtrans-66.7-19.8175.745.50000114H354 I377H354-S357 PolarHBondContact O-OG 3.31Å; S357-I377 WeakPolarHBondContact OG-CD1 3.44Å
358E39.5Very low49.1Very low131 Ų13199.3 Ų99.361%0.61255%0.548SS*.G310 helixtrans-83.8-9.9178.3-66.6-177.7-178.400113.7K356 N376K356-E358 PolarHBondContact O-N 3.38Å; E358-N376 PolarHBondContact OE1-ND2 2.96Å
359T40.6Very low46.4Very low94 Ų94104.8 Ų104.858%0.57758%0.578SS**SBendtrans-115.3-0.8-167.554.40000116.3K356K356-T359 PolarHBondContact O-N 3.03Å; K356-T359 PolarHBondContact O-OG1 3.43Å
360N29.2Very low43.7Very low142 Ų142109.2 Ų109.276%0.75961%0.605SS**  trans-116.554.6-178.1-86.79.6000113.3
361N31.9Very low40.9Very low164 Ų164115.9 Ų115.988%0.87765%0.646SS**SBendtrans-143.2143.1145.6-105-29.7000109.1
362Q26.1Very low38.4Very low187 Ų187117.2 Ų117.287%0.87466%0.66SS**  trans-86.8139.7-159.5-68.1168.9-32.800113.4
363V27.5Very low36.3Very low135 Ų135119 Ų11982%0.81868%0.682SS**  trans32.5102.5144.7-171.70000117.3
364V25.3Very low34.4Very low145 Ų145124.9 Ų124.988%0.87971%0.708SS**  -157.9153.2129.5133.90000109.5
365S23.4Very low33.2Very low89 Ų89126.2 Ų126.262%0.62272%0.722SS**  trans-91.6156.3-16956.90000115.4
366N26.1Very low32.9Very low160 Ų160128.2 Ų128.286%0.85673%0.727SS**  trans53.796.6146-61.9-9.4000119
367S24.5Very low33.5Very low117 Ų117125.1 Ų125.182%0.81872%0.716SS**  trans-147.1141.1139.856.50000111.7
368T26.7Very low35.2Very low125 Ų125126.2 Ų126.277%0.76771%0.713SS**  trans-80.2151.8164.642.70000109.6
369N26.8Very low37.2Very low146 Ų146121.6 Ų121.678%0.78169%0.694SS**  trans70.7106.7-177.4-46.4-27.1000115.1
370L24.1Very low39.4Very low154 Ų154117.3 Ų117.381%0.80667%0.668SS**  -151.6137.8113-139.673.9000112.7T372L370-T372 PolarHBondContact O-N 3.29Å
371T25.3Very low42.1Very low143 Ų143112 Ų11288%0.87764%0.639SS**  trans-83.488.2171.846.90000110.8
372T29Very low44.8Very low101 Ų101104.2 Ų104.262%0.6260%0.597SS**  trans-150.5130.1159.6250000108.8L370 Q374L370-T372 PolarHBondContact O-N 3.29Å; T372-Q374 VanDerWaalsContact C-N 3.33Å; T372-Q374 PolarHBondContact O-N 2.85Å
373S31.8Very low47.7Very low121 Ų12195.6 Ų95.685%0.84656%0.557SS**  trans-73.782.2-179.554.40000111.5S375S373-S375 PolarHBondContact O-N 2.95Å
374Q36.1Very low50.7Low174 Ų17489.2 Ų89.281%0.81352%0.518SS*.  trans-60.9122.4160.7-68.5-179.2-13.200107.6T372T372-Q374 VanDerWaalsContact C-N 3.33Å; T372-Q374 PolarHBondContact O-N 2.85Å
375S43.6Very low53.6Low69 Ų6982.7 Ų82.748%0.48348%0.479SS..  trans-92.4110.5-162.324.60000111.4S373 L440S373-S375 PolarHBondContact O-N 2.95Å; S375-L440 WeakPolarHBondContact OG-CD1 3.45Å; S375-L440 WeakPolarHBondContact OG-CD2 3.27Å
376N59.8Low56.5Low115 Ų11578.5 Ų78.562%0.61545%0.45SS*.  trans-54.4139.6167.8-58.990.7000110.1E358 E378E358-N376 PolarHBondContact OE1-ND2 2.96Å; N376-E378 PolarHBondContact O-N 3.19Å
377I63.9Low58.9Low45 Ų4571.5 Ų71.523%0.23142%0.415CS..  trans-85.2113.8176.6-56.9-172.1000108.4H354 S357 P379 P439 L440 P442H354-I377 HydrophobicContact CB-CG2 4.16Å; S357-I377 WeakPolarHBondContact OG-CD1 3.44Å; I377-P379 WeakPolarHBondContact O-CD 3.48Å; I377-P439 WeakPolarHBondContact CG2-O 3.5Å; I377-L440 CarbonylContact C-O 3.57Å; I377-L440 WeakPolarHBondContact CA-O 3.34Å; I377-L440 HydrophobicContact CG1-CD2 4.36Å; I377-P442 HydrophobicContact CG2-CG 4.12Å
378E78Confident61.4Low93 Ų9367.8 Ų67.844%0.43538%0.383SS..  trans-103.691.9177.5-173.2-173.6-174.100109.2N376 I380 L440 K441N376-E378 PolarHBondContact O-N 3.19Å; E378-I380 PolarHBondContact O-N 3.05Å; E378-L440 PolarHBondContact N-O 3.39Å; E378-K441 HydrophobicContact CB-CG 4.5Å; E378-K441 WeakPolarHBondContact OE2-CE 3.29Å; E378-K441 IonicContact OE2-NZ 3.52Å; E378-K441 PolarHBondContact OE2-NZ 3.42Å
379P81.4Confident63.7Low34 Ų3461.8 Ų61.822%0.22135%0.347CS..  trans-64.5117.917826-34000110.9F350 H354 I377 I381 P442F350-P379 HydrophobicContact CD1-CB 4.28Å; F350-P379 HydrophobicContact CE1-CB 3.74Å; H354-P379 HydrophobicContact CB-CB 4.02Å; H354-P379 HydrophobicContact CB-CG 4Å; I377-P379 WeakPolarHBondContact O-CD 3.48Å; P379-I381 PolarHBondContact O-N 2.91Å; P379-P442 HydrophobicContact CB-CG 4.27Å
380I85.9Confident65.7Low4 Ų456.5 Ų56.52%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-78.8121.8173.8-61.1178.1000107.8E378 I382 L406 K409 F410 K441 P442 I443 L444E378-I380 PolarHBondContact O-N 3.05Å; I380-I382 HydrophobicContact CG2-CD1 4.24Å; I380-I382 HydrophobicContact CG2-CG1 4.14Å; I380-L406 HydrophobicContact CG2-CD2 4.14Å; I380-K409 HydrophobicContact CD1-CB 3.8Å; I380-K409 HydrophobicContact CG1-CB 4.06Å; I380-K409 HydrophobicContact CG2-CB 4.27Å; I380-K409 HydrophobicContact CG2-CG 4.29Å; I380-F410 HydrophobicContact CD1-CD1 4.35Å; I380-F410 HydrophobicContact CD1-CD2 4.07Å; I380-F410 HydrophobicContact CD1-CE1 3.97Å; I380-F410 HydrophobicContact CD1-CE2 3.67Å; I380-F410 HydrophobicContact CD1-CG 4.39Å; I380-F410 HydrophobicContact CD1-CZ 3.6Å; I380-K441 HydrophobicContact CD1-CB 4.11Å; I380-K441 HydrophobicContact CD1-CD 4.2Å; I380-K441 HydrophobicContact CG1-CB 4.39Å; I380-P442 PolarHBondContact N-O 2.79Å; I380-I443 HydrophobicContact CB-CG1 4.4Å; I380-I443 HydrophobicContact CB-CG2 4.46Å; I380-I443 HydrophobicContact CG2-CG2 4.3Å; I380-I443 CarbonylContact O-C 3.55Å; I380-I443 WeakPolarHBondContact O-CA 3.46Å; I380-L444 PolarHBondContact O-N 3.27Å
381I86.3Confident67.9Low30 Ų3050.9 Ų50.915%0.15429%0.287CS..EExtended strand (participates in β ladder)trans-122124.5176.3-67.2148.1000107.7V347 F350 K351 P379 I383 L444V347-I381 HydrophobicContact CG1-CD1 4.07Å; V347-I381 HydrophobicContact CG1-CG2 3.92Å; V347-I381 HydrophobicContact CG2-CG2 4.35Å; F350-I381 HydrophobicContact CD1-CD1 4.09Å; F350-I381 HydrophobicContact CD1-CG1 3.85Å; F350-I381 HydrophobicContact CE1-CG1 4.05Å; K351-I381 HydrophobicContact CD-CD1 4.06Å; K351-I381 HydrophobicContact CG-CD1 3.34Å; P379-I381 PolarHBondContact O-N 2.91Å; I381-I383 HydrophobicContact CG2-CD1 4.15Å; I381-I383 HydrophobicContact CG2-CG1 4.05Å; I381-L444 WeakPolarHBondContact CA-O 3.35Å; I381-L444 HydrophobicContact CG1-CB 4.26Å
382I89.2Confident70.4Confident1 Ų144.1 Ų44.11%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-121.2131.8176.4-63.2175.6000107.7I380 I402 Q405 L406 L444 L446I380-I382 HydrophobicContact CG2-CD1 4.24Å; I380-I382 HydrophobicContact CG2-CG1 4.14Å; I382-I402 HydrophobicContact CD1-CG2 4.13Å; I382-I402 HydrophobicContact CG2-CB 4.43Å; I382-I402 HydrophobicContact CG2-CG1 3.87Å; I382-Q405 HydrophobicContact CD1-CB 3.86Å; I382-Q405 HydrophobicContact CG1-CB 4.14Å; I382-L406 HydrophobicContact CD1-CD2 3.55Å; I382-L406 HydrophobicContact CD1-CG 3.55Å; I382-L444 PolarHBondContact N-O 3.32Å; I382-L446 PolarHBondContact O-N 3.08Å
383I87.8Confident72.6Confident7 Ų739.5 Ų39.54%0.03622%0.217CC..EExtended strand (participates in β ladder)trans-127.1130.3-176.5-63.7166.4000107.7H257 Y258 L261 V347 I381 L446H257-I383 HydrophobicContact CB-CG2 4.35Å; H257-I383 VanDerWaalsContact CB-O 3.26Å; H257-I383 WeakPolarHBondContact CB-O 3.49Å; Y258-I383 HydrophobicContact CD2-CD1 3.69Å; Y258-I383 HydrophobicContact CE2-CD1 4.36Å; Y258-I383 HydrophobicContact CG-CD1 4.38Å; L261-I383 HydrophobicContact CB-CD1 4.38Å; L261-I383 HydrophobicContact CB-CG2 3.81Å; L261-I383 HydrophobicContact CD1-CG2 4.44Å; L261-I383 HydrophobicContact CD2-CD1 3.67Å; L261-I383 HydrophobicContact CD2-CG1 4.04Å; L261-I383 HydrophobicContact CD2-CG2 3.9Å; L261-I383 HydrophobicContact CG-CG2 4.25Å; V347-I383 HydrophobicContact CG2-CD1 4.13Å; I381-I383 HydrophobicContact CG2-CD1 4.15Å; I381-I383 HydrophobicContact CG2-CG1 4.05Å; I383-L446 WeakPolarHBondContact CA-O 3.49Å; I383-L446 HydrophobicContact CG1-CB 4.45Å
384C88.9Confident74.8Confident0 Ų033.7 Ų33.70%018%0.177CC..EExtended strand (participates in β ladder)trans-126.9102.9174.7-58.30000108.7I386 V398 Q401 L446 D448C384-I386 PolarHBondContact O-N 3.49Å; C384-V398 HydrophobicContact CB-CG1 4.06Å; C384-Q401 PolarHBondContact SG-OE1 3.06Å; C384-L446 PolarHBondContact N-O 2.92Å; C384-D448 PolarHBondContact O-N 3.21Å
385C86.2Confident77Confident8 Ų825.5 Ų25.55%0.05414%0.138CC..EExtended strand (participates in β ladder)trans-9093.7175-63.80000108.6H257 L260 R388 S392H257-C385 VanDerWaalsContact CE1-C 3.42Å; H257-C385 PolarHBondContact CE1-O 3.05Å; H257-C385 WeakPolarHBondContact ND1-CB 3.19Å; H257-C385 PolarHBondContact ND1-N 3.18Å; H257-C385 PolarHBondContact ND1-O 2.99Å; H257-C385 PolarHBondContact O-SG 3.46Å; H257-C385 VanDerWaalsContact O-SG 3.39Å; L260-C385 HydrophobicContact CB-CB 4.35Å; L260-C385 HydrophobicContact CD1-CB 4.43Å; C385-R388 HydrophobicContact CB-CG 4.31Å; C385-R388 WeakPolarHBondContact O-CB 3.46Å; C385-R388 PolarHBondContact O-N 3.28Å; C385-S392 PolarHBondContact O-OG 3.02Å
386I85.3Confident78.7Confident2 Ų222.5 Ų22.51%0.0112%0.117CC..THydrogen-bonded Turntrans-69.1144.2-161.3-67.7161.2000112.3C384 R388 S392 I447 D448 I450 L453C384-I386 PolarHBondContact O-N 3.49Å; I386-R388 PolarHBondContact O-N 3.05Å; I386-S392 WeakPolarHBondContact CG2-O 3.38Å; I386-I447 HydrophobicContact CD1-CG2 3.3Å; I386-I447 HydrophobicContact CG1-CG2 4.39Å; I386-D448 WeakPolarHBondContact CB-O 3.28Å; I386-D448 PolarHBondContact N-O 2.81Å; I386-D448 VanDerWaalsContact N-O 3.16Å; I386-I450 HydrophobicContact CD1-CB 4.28Å; I386-I450 HydrophobicContact CD1-CG1 4.07Å; I386-L453 HydrophobicContact CB-CD2 4.49Å; I386-L453 HydrophobicContact CB-CG 4.49Å; I386-L453 HydrophobicContact CD1-CD1 3.67Å; I386-L453 HydrophobicContact CD1-CD2 4.18Å; I386-L453 HydrophobicContact CD1-CG 3.63Å; I386-L453 HydrophobicContact CG1-CD1 4.42Å; I386-L453 HydrophobicContact CG1-CD2 4.08Å; I386-L453 HydrophobicContact CG1-CG 4.07Å; I386-L453 HydrophobicContact CG2-CB 4.45Å; I386-L453 HydrophobicContact CG2-CD2 3.58Å; I386-L453 HydrophobicContact CG2-CG 3.61Å
387G75.6Confident79.6Confident12 Ų1217.5 Ų17.512%0.1249%0.091CC..THydrogen-bonded Turntrans72.3-6.3176.900000114.4S392 Y625G387-S392 PolarHBondContact N-O 3.17Å; G387-S392 PolarHBondContact N-OG 2.78Å; G387-Y625 WeakPolarHBondContact O-CD1 3.36Å
388R77.5Confident80.6Confident39 Ų3915.4 Ų15.415%0.1478%0.08CC..SBendtrans-84.6-20179.6-55.3-52.9-173.6148.26.4113L260 C385 I386 I681 F691 N692L260-R388 HydrophobicContact CD1-CB 3.71Å; L260-R388 HydrophobicContact CD1-CG 4.5Å; C385-R388 HydrophobicContact CB-CG 4.31Å; C385-R388 WeakPolarHBondContact O-CB 3.46Å; C385-R388 PolarHBondContact O-N 3.28Å; I386-R388 PolarHBondContact O-N 3.05Å; R388-I681 HydrophobicContact CB-CD1 4.22Å; R388-F691 PolarHBondContact NH1-O 3.07Å; R388-N692 PolarHBondContact NH2-O 3.16Å
389T75Confident81Confident0 Ų011 Ų110%06%0.06CC..SBendtrans-122.1158.7171.174.40000110E253 H257 L391 S392 T393 Y625 T683E253-T389 HydrophobicContact CG-CG2 4.22Å; E253-T389 WeakPolarHBondContact OE1-CB 3.45Å; E253-T389 PolarHBondContact OE1-OG1 3.02Å; H257-T389 WeakPolarHBondContact CE1-CG2 3.27Å; H257-T389 PolarHBondContact CE1-OG1 2.74Å; H257-T389 WeakPolarHBondContact NE2-CB 3.47Å; H257-T389 VanDerWaalsContact NE2-CG2 3.27Å; H257-T389 WeakPolarHBondContact NE2-CG2 3.25Å; H257-T389 PolarHBondContact NE2-OG1 3.17Å; T389-L391 VanDerWaalsContact C-N 3.26Å; T389-L391 PolarHBondContact O-N 3.23Å; T389-S392 PolarHBondContact N-OG 3.41Å; T389-S392 PolarHBondContact O-N 3.12Å; T389-S392 PolarHBondContact O-OG 3.47Å; T389-S392 VanDerWaalsContact O-OG 3.11Å; T389-S392 VanDerWaalsContact OG1-CB 3.23Å; T389-S392 WeakPolarHBondContact OG1-CB 3.32Å; T389-S392 PolarHBondContact OG1-N 3.33Å; T389-S392 VanDerWaalsContact OG1-N 3.09Å; T389-S392 PolarHBondContact OG1-OG 2.83Å; T389-T393 VanDerWaalsContact O-CG2 3.28Å; T389-T393 WeakPolarHBondContact O-CG2 3.3Å; T389-Y625 WeakPolarHBondContact O-CE1 3.49Å; T389-T683 HydrophobicContact CG2-CG2 3.67Å
390F69Low80.9Confident34 Ų349.7 Ų9.715%0.1495%0.051CC..SBendtrans-68.4-24.2178.664.2-91.6000113.9T393 Y625 D684 A768 T772 L808F390-T393 PolarHBondContact O-OG1 3.29Å; F390-T393 VanDerWaalsContact O-OG1 3.08Å; F390-Y625 HydrophobicContact CB-CE1 4.35Å; F390-Y625 HydrophobicContact CB-CE2 4.32Å; F390-D684 HydrophobicContact CE1-CB 4.09Å; F390-A768 HydrophobicContact CD1-CB 4.26Å; F390-A768 HydrophobicContact CD2-CB 4.16Å; F390-A768 HydrophobicContact CE1-CB 3.97Å; F390-A768 HydrophobicContact CE2-CB 3.85Å; F390-A768 HydrophobicContact CG-CB 4.36Å; F390-A768 HydrophobicContact CZ-CB 3.76Å; F390-T772 HydrophobicContact CB-CG2 4.18Å; F390-T772 WeakPolarHBondContact CB-OG1 3.37Å; F390-L808 HydrophobicContact CD2-CD2 4.4Å; F390-L808 HydrophobicContact CE2-CD2 4.42Å
391L70.2Confident80.8Confident37 Ų379.8 Ų9.819%0.1945%0.051CC..SBendtrans-85.4-19.7177.5-80.7162.1000113.5E253 T389 T393 S397 L808E253-L391 VanDerWaalsContact CD-CB 3.46Å; E253-L391 HydrophobicContact CG-CD1 4.44Å; E253-L391 VanDerWaalsContact OE1-CB 3.32Å; E253-L391 WeakPolarHBondContact OE1-CB 3.4Å; E253-L391 VanDerWaalsContact OE2-CB 3.32Å; E253-L391 WeakPolarHBondContact OE2-CB 3.37Å; T389-L391 VanDerWaalsContact C-N 3.26Å; T389-L391 PolarHBondContact O-N 3.23Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.14Å; L391-S397 WeakPolarHBondContact O-CB 3.49Å; L391-S397 PolarHBondContact O-OG 3.14Å; L391-L808 HydrophobicContact CD2-CD2 3.58Å; L391-L808 HydrophobicContact CG-CD2 4.38Å
392S78.1Confident80.8Confident0 Ų08.4 Ų8.40%04%0.044CC..SBendtrans-93.530.6-179.560.30000114.2H257 C385 I386 G387 T389H257-S392 WeakPolarHBondContact CE1-CB 3.41Å; H257-S392 PolarHBondContact CE1-OG 3.29Å; H257-S392 WeakPolarHBondContact NE2-CB 3.28Å; C385-S392 PolarHBondContact O-OG 3.02Å; I386-S392 WeakPolarHBondContact CG2-O 3.38Å; G387-S392 PolarHBondContact N-O 3.17Å; G387-S392 PolarHBondContact N-OG 2.78Å; T389-S392 PolarHBondContact N-OG 3.41Å; T389-S392 PolarHBondContact O-N 3.12Å; T389-S392 PolarHBondContact O-OG 3.47Å; T389-S392 VanDerWaalsContact O-OG 3.11Å; T389-S392 VanDerWaalsContact OG1-CB 3.23Å; T389-S392 WeakPolarHBondContact OG1-CB 3.32Å; T389-S392 PolarHBondContact OG1-N 3.33Å; T389-S392 VanDerWaalsContact OG1-N 3.09Å; T389-S392 PolarHBondContact OG1-OG 2.83Å
393T75.4Confident80.6Confident4 Ų48.5 Ų8.53%0.0254%0.044CC..SBendtrans-107-30.1-170.257.70000114.8T389 F390 L391 Y454 Y625T389-T393 VanDerWaalsContact O-CG2 3.28Å; T389-T393 WeakPolarHBondContact O-CG2 3.3Å; F390-T393 PolarHBondContact O-OG1 3.29Å; F390-T393 VanDerWaalsContact O-OG1 3.08Å; L391-T393 VanDerWaalsContact C-N 3.33Å; L391-T393 PolarHBondContact O-N 3.14Å; T393-Y454 WeakPolarHBondContact O-CD1 3.11Å; T393-Y454 WeakPolarHBondContact O-CE1 3.19Å; T393-Y454 PolarHBondContact O-N 3.47Å; T393-Y454 PolarHBondContact OG1-OH 2.89Å; T393-Y625 HydrophobicContact CG2-CE1 3.64Å; T393-Y625 WeakPolarHBondContact CG2-OH 3.42Å
394S77.1Confident80.2Confident0 Ų09.5 Ų9.50%05%0.049CC..BIsolated β-bridgetrans-101.8147.2173.183.50000110.9Q396 S397 V398 T815S394-Q396 PolarHBondContact O-N 2.84Å; S394-S397 PolarHBondContact N-OG 2.78Å; S394-S397 PolarHBondContact O-N 3.02Å; S394-S397 PolarHBondContact O-OG 3.05Å; S394-S397 VanDerWaalsContact O-OG 3.06Å; S394-S397 VanDerWaalsContact OG-CB 3.25Å; S394-S397 WeakPolarHBondContact OG-CB 3.29Å; S394-S397 PolarHBondContact OG-N 2.76Å; S394-S397 PolarHBondContact OG-OG 2.86Å; S394-V398 PolarHBondContact O-N 3.15Å; S394-T815 WeakPolarHBondContact CB-OG1 3.48Å
395L82.9Confident79.9Confident1 Ų110.5 Ų10.51%0.0055%0.054CC..Hα-helixtrans-57.9-37.3174176.662.5000110.8L399 Y423 L453 Y454 H458 V459 W464L395-L399 HydrophobicContact CD1-CD1 4.48Å; L395-L399 HydrophobicContact CD1-CG 4.35Å; L395-L399 HydrophobicContact CG-CD1 4.15Å; L395-L399 HydrophobicContact CG-CG 4.47Å; L395-L399 WeakPolarHBondContact O-CB 3.5Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.47Å; L395-Y423 HydrophobicContact CD2-CE2 3.74Å; L395-Y423 WeakPolarHBondContact CD2-OH 3.14Å; L395-Y423 HydrophobicContact CG-CE2 4.04Å; L395-L453 HydrophobicContact CB-CD1 4.31Å; L395-L453 HydrophobicContact CD1-CD1 3.8Å; L395-Y454 PolarHBondContact N-O 3.01Å; L395-H458 HydrophobicContact CD2-CB 4.22Å; L395-V459 HydrophobicContact CB-CG2 4.33Å; L395-V459 HydrophobicContact CD2-CG2 4.12Å; L395-W464 HydrophobicContact CD1-CD2 3.92Å; L395-W464 HydrophobicContact CD1-CE3 4.28Å; L395-W464 HydrophobicContact CD1-CG 4.28Å; L395-W464 HydrophobicContact CD1-CZ2 4.27Å; L395-W464 HydrophobicContact CD2-CB 4.5Å; L395-W464 HydrophobicContact CD2-CD2 4.43Å; L395-W464 HydrophobicContact CD2-CG 3.95Å
396Q80Confident79.8Confident7 Ų710.1 Ų10.13%0.0335%0.051CC..Hα-helixtrans-65.7-44.2177.8179.2163.4-5.700112.8S394 V398 L399 I400 C421 Y423 T815S394-Q396 PolarHBondContact O-N 2.84Å; Q396-V398 VanDerWaalsContact C-N 3.34Å; Q396-L399 PolarHBondContact O-N 3.43Å; Q396-I400 HydrophobicContact CG-CD1 3.74Å; Q396-I400 HydrophobicContact CG-CG1 4.38Å; Q396-I400 WeakPolarHBondContact O-CB 3.35Å; Q396-I400 VanDerWaalsContact O-CG1 3.24Å; Q396-I400 WeakPolarHBondContact O-CG1 3.38Å; Q396-I400 PolarHBondContact O-N 3.25Å; Q396-C421 PolarHBondContact NE2-O 3.18Å; Q396-Y423 HydrophobicContact CB-CD2 4.35Å; Q396-T815 HydrophobicContact CB-CG2 4.16Å
397S78.8Confident79.6Confident9 Ų910.5 Ų10.56%0.0635%0.053CC..Hα-helixtrans-69-33.3-179.761.80000111.6L391 S394 I400 Q401L391-S397 WeakPolarHBondContact O-CB 3.49Å; L391-S397 PolarHBondContact O-OG 3.14Å; S394-S397 PolarHBondContact N-OG 2.78Å; S394-S397 PolarHBondContact O-N 3.02Å; S394-S397 PolarHBondContact O-OG 3.05Å; S394-S397 VanDerWaalsContact O-OG 3.06Å; S394-S397 VanDerWaalsContact OG-CB 3.25Å; S394-S397 WeakPolarHBondContact OG-CB 3.29Å; S394-S397 PolarHBondContact OG-N 2.76Å; S394-S397 PolarHBondContact OG-OG 2.86Å; S397-I400 PolarHBondContact O-N 3.36Å; S397-Q401 VanDerWaalsContact O-CB 3.22Å; S397-Q401 WeakPolarHBondContact O-CB 3.39Å; S397-Q401 PolarHBondContact O-N 2.91Å
398V85.2Confident79.7Confident2 Ų212.8 Ų12.81%0.0126%0.061CC..Hα-helixtrans-66.4-45.4168.4167.40000112.4C384 S394 Q396 I400 Q401 I402 L453C384-V398 HydrophobicContact CB-CG1 4.06Å; S394-V398 PolarHBondContact O-N 3.15Å; Q396-V398 VanDerWaalsContact C-N 3.34Å; V398-I400 VanDerWaalsContact C-N 3.27Å; V398-I400 PolarHBondContact O-N 3.16Å; V398-Q401 PolarHBondContact O-N 3.3Å; V398-I402 HydrophobicContact CG1-CD1 3.79Å; V398-I402 HydrophobicContact CG1-CG1 4.43Å; V398-I402 WeakPolarHBondContact O-CD1 3.25Å; V398-I402 VanDerWaalsContact O-CG1 3.24Å; V398-I402 WeakPolarHBondContact O-CG1 3.17Å; V398-I402 PolarHBondContact O-N 3.21Å; V398-L453 HydrophobicContact CB-CD2 4.39Å; V398-L453 HydrophobicContact CG2-CD2 3.77Å
399L85.7Confident79.9Confident0 Ų015.8 Ų15.80%08%0.075CC..Hα-helixtrans-57.1-42.9174.2-71.7169.1000111.5L395 Q396 I402 I403 Y423 A426 V427 L430 W464L395-L399 HydrophobicContact CD1-CD1 4.48Å; L395-L399 HydrophobicContact CD1-CG 4.35Å; L395-L399 HydrophobicContact CG-CD1 4.15Å; L395-L399 HydrophobicContact CG-CG 4.47Å; L395-L399 WeakPolarHBondContact O-CB 3.5Å; L395-L399 WeakPolarHBondContact O-CG 3.38Å; L395-L399 PolarHBondContact O-N 3.47Å; Q396-L399 PolarHBondContact O-N 3.43Å; L399-I402 PolarHBondContact O-N 3.22Å; L399-I403 WeakPolarHBondContact O-CB 3.5Å; L399-I403 WeakPolarHBondContact O-CD1 3.49Å; L399-I403 WeakPolarHBondContact O-CG1 3.44Å; L399-I403 PolarHBondContact O-N 2.91Å; L399-Y423 HydrophobicContact CD1-CD2 3.92Å; L399-Y423 HydrophobicContact CD1-CE2 3.64Å; L399-A426 HydrophobicContact CB-CB 4.32Å; L399-V427 HydrophobicContact CD1-CG2 4.01Å; L399-L430 HydrophobicContact CD2-CD2 3.42Å; L399-L430 VanDerWaalsContact CD2-CD2 3.42Å; L399-W464 HydrophobicContact CD1-CB 4.42Å; L399-W464 HydrophobicContact CD2-CE3 3.8Å; L399-W464 HydrophobicContact CD2-CZ3 4.4Å
400I79.7Confident80Confident6 Ų617.6 Ų17.63%0.0318%0.083CC..Hα-helixtrans-67-44177.6-73.7173.9000111.5Q396 S397 V398 I402 I403 E404 L420 A426 R809Q396-I400 HydrophobicContact CG-CD1 3.74Å; Q396-I400 HydrophobicContact CG-CG1 4.38Å; Q396-I400 WeakPolarHBondContact O-CB 3.35Å; Q396-I400 VanDerWaalsContact O-CG1 3.24Å; Q396-I400 WeakPolarHBondContact O-CG1 3.38Å; Q396-I400 PolarHBondContact O-N 3.25Å; S397-I400 PolarHBondContact O-N 3.36Å; V398-I400 VanDerWaalsContact C-N 3.27Å; V398-I400 PolarHBondContact O-N 3.16Å; I400-I402 VanDerWaalsContact C-N 3.34Å; I400-I402 PolarHBondContact O-N 3.13Å; I400-I403 WeakPolarHBondContact O-CB 3.48Å; I400-I403 PolarHBondContact O-N 3.17Å; I400-I403 VanDerWaalsContact O-N 3.17Å; I400-E404 HydrophobicContact CG2-CG 4.39Å; I400-E404 WeakPolarHBondContact CG2-OE2 3.39Å; I400-E404 WeakPolarHBondContact O-CG 3.47Å; I400-E404 PolarHBondContact O-N 3.3Å; I400-L420 HydrophobicContact CD1-CD2 4.03Å; I400-L420 HydrophobicContact CG1-CD2 3.77Å; I400-A426 HydrophobicContact CG1-CB 4.5Å; I400-R809 VanDerWaalsContact CG2-CZ 3.42Å
401Q82.3Confident80.1Confident6 Ų622.5 Ų22.53%0.02811%0.111CC..Hα-helixtrans-59.2-45.3175.5-177.5-166.657.100111.3E253 H257 C384 S397 V398 E404 Q405E253-Q401 PolarHBondContact OE1-NE2 2.91Å; E253-Q401 VanDerWaalsContact OE1-NE2 3.1Å; E253-Q401 PolarHBondContact OE2-NE2 2.71Å; H257-Q401 PolarHBondContact CD2-NE2 3.11Å; H257-Q401 PolarHBondContact NE2-NE2 2.98Å; C384-Q401 PolarHBondContact SG-OE1 3.06Å; S397-Q401 VanDerWaalsContact O-CB 3.22Å; S397-Q401 WeakPolarHBondContact O-CB 3.39Å; S397-Q401 PolarHBondContact O-N 2.91Å; V398-Q401 PolarHBondContact O-N 3.3Å; Q401-E404 PolarHBondContact O-N 3.14Å; Q401-Q405 WeakPolarHBondContact O-CB 3.17Å; Q401-Q405 WeakPolarHBondContact O-CG 3.44Å; Q401-Q405 PolarHBondContact O-N 2.89Å
402I86.6Confident80.1Confident2 Ų222.4 Ų22.41%0.0111%0.11CC..Hα-helixtrans-59.6-48173.6-66.5162.7000110I382 V398 L399 I400 E404 Q405 L406 L430 I445I382-I402 HydrophobicContact CD1-CG2 4.13Å; I382-I402 HydrophobicContact CG2-CB 4.43Å; I382-I402 HydrophobicContact CG2-CG1 3.87Å; V398-I402 HydrophobicContact CG1-CD1 3.79Å; V398-I402 HydrophobicContact CG1-CG1 4.43Å; V398-I402 WeakPolarHBondContact O-CD1 3.25Å; V398-I402 VanDerWaalsContact O-CG1 3.24Å; V398-I402 WeakPolarHBondContact O-CG1 3.17Å; V398-I402 PolarHBondContact O-N 3.21Å; L399-I402 PolarHBondContact O-N 3.22Å; I400-I402 VanDerWaalsContact C-N 3.34Å; I400-I402 PolarHBondContact O-N 3.13Å; I402-E404 PolarHBondContact O-N 2.53Å; I402-Q405 PolarHBondContact O-N 3.3Å; I402-L406 HydrophobicContact CG2-CD1 3.92Å; I402-L406 HydrophobicContact CG2-CG 4.29Å; I402-L406 WeakPolarHBondContact O-CB 3.25Å; I402-L406 VanDerWaalsContact O-CG 3.25Å; I402-L406 WeakPolarHBondContact O-CG 3.44Å; I402-L406 PolarHBondContact O-N 3.03Å; I402-L430 HydrophobicContact CG2-CD1 3.7Å; I402-I445 HydrophobicContact CD1-CG2 4.15Å; I402-I445 HydrophobicContact CG2-CD1 3.91Å
403I84.6Confident79.2Confident2 Ų230.1 Ų30.11%0.0115%0.152CC..Hα-helixtrans-58.6-47.1177.8-77163.4000112.1L399 I400 L406 I407 A426 L429 L430L399-I403 WeakPolarHBondContact O-CB 3.5Å; L399-I403 WeakPolarHBondContact O-CD1 3.49Å; L399-I403 WeakPolarHBondContact O-CG1 3.44Å; L399-I403 PolarHBondContact O-N 2.91Å; I400-I403 WeakPolarHBondContact O-CB 3.48Å; I400-I403 PolarHBondContact O-N 3.17Å; I400-I403 VanDerWaalsContact O-N 3.17Å; I403-L406 PolarHBondContact O-N 3.03Å; I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.48Å; I403-I407 WeakPolarHBondContact O-CB 3.07Å; I403-I407 VanDerWaalsContact O-CG1 3.26Å; I403-I407 WeakPolarHBondContact O-CG1 3.39Å; I403-I407 PolarHBondContact O-N 3.15Å; I403-A426 HydrophobicContact CD1-CB 4.22Å; I403-A426 WeakPolarHBondContact CD1-O 3.49Å; I403-L429 HydrophobicContact CB-CD2 4.28Å; I403-L429 HydrophobicContact CD1-CD2 3.94Å; I403-L429 HydrophobicContact CG1-CD2 3.94Å; I403-L429 HydrophobicContact CG2-CD2 3.37Å; I403-L430 HydrophobicContact CD1-CB 4.19Å; I403-L430 HydrophobicContact CG1-CB 4.19Å; I403-L430 HydrophobicContact CG1-CD1 4.42Å
404E80.4Confident78.2Confident28 Ų2832.9 Ų32.913%0.13117%0.166CC..Hα-helixtrans-69.3-38.5-177.3-70-174.3119.700110.9N250 I400 Q401 I402 I407 M408 I417 R809N250-E404 VanDerWaalsContact ND2-CD 3.28Å; N250-E404 PolarHBondContact ND2-OE2 2.95Å; I400-E404 HydrophobicContact CG2-CG 4.39Å; I400-E404 WeakPolarHBondContact CG2-OE2 3.39Å; I400-E404 WeakPolarHBondContact O-CG 3.47Å; I400-E404 PolarHBondContact O-N 3.3Å; Q401-E404 PolarHBondContact O-N 3.14Å; I402-E404 PolarHBondContact O-N 2.53Å; E404-I407 PolarHBondContact O-N 3.07Å; E404-M408 WeakPolarHBondContact O-CB 3.45Å; E404-M408 VanDerWaalsContact O-CG 3.25Å; E404-M408 WeakPolarHBondContact O-CG 3.45Å; E404-M408 PolarHBondContact O-N 2.56Å; E404-I417 HydrophobicContact CG-CG2 3.76Å; E404-I417 WeakPolarHBondContact OE1-CG2 3.29Å; E404-R809 IonicContact OE1-NH2 3.47Å; E404-R809 PolarHBondContact OE1-NH2 3.42Å; E404-R809 IonicContact OE2-NH2 3.8Å; E404-R809 PolarHBondContact OE2-NH2 2.66Å; E404-R809 VanDerWaalsContact OE2-NH2 3.08Å
405Q82.9Confident77.1Confident21 Ų2141.2 Ų41.210%0.09821%0.205CC..Hα-helixtrans-63-45.7169.7-72.6-175.948.200112.2A254 I382 Q401 I402 I407 M408 K409A254-Q405 VanDerWaalsContact CB-CD 3.49Å; A254-Q405 HydrophobicContact CB-CG 4.08Å; I382-Q405 HydrophobicContact CD1-CB 3.86Å; I382-Q405 HydrophobicContact CG1-CB 4.14Å; Q401-Q405 WeakPolarHBondContact O-CB 3.17Å; Q401-Q405 WeakPolarHBondContact O-CG 3.44Å; Q401-Q405 PolarHBondContact O-N 2.89Å; I402-Q405 PolarHBondContact O-N 3.3Å; Q405-I407 PolarHBondContact O-N 3.24Å; Q405-M408 PolarHBondContact O-N 3.14Å; Q405-K409 WeakPolarHBondContact O-CB 3.31Å; Q405-K409 VanDerWaalsContact O-CG 3.24Å; Q405-K409 WeakPolarHBondContact O-CG 3.33Å; Q405-K409 PolarHBondContact O-N 3.44Å
406L84.6Confident75.6Confident0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-58.8-46.5176.1-74.7175.9000111.2I380 I382 I402 I403 M408 K409 F410 L430 M433 I443I380-L406 HydrophobicContact CG2-CD2 4.14Å; I382-L406 HydrophobicContact CD1-CD2 3.55Å; I382-L406 HydrophobicContact CD1-CG 3.55Å; I402-L406 HydrophobicContact CG2-CD1 3.92Å; I402-L406 HydrophobicContact CG2-CG 4.29Å; I402-L406 WeakPolarHBondContact O-CB 3.25Å; I402-L406 VanDerWaalsContact O-CG 3.25Å; I402-L406 WeakPolarHBondContact O-CG 3.44Å; I402-L406 PolarHBondContact O-N 3.03Å; I403-L406 PolarHBondContact O-N 3.03Å; L406-M408 PolarHBondContact O-N 3.26Å; L406-K409 PolarHBondContact O-N 2.92Å; L406-F410 HydrophobicContact CB-CD2 4.47Å; L406-F410 HydrophobicContact CD2-CE2 4.15Å; L406-F410 WeakPolarHBondContact O-CB 3.13Å; L406-F410 VanDerWaalsContact O-CD2 3.29Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.08Å; L406-L430 HydrophobicContact CD1-CD1 3.93Å; L406-M433 HydrophobicContact CB-CB 4.32Å; L406-M433 HydrophobicContact CD1-CB 3.74Å; L406-I443 HydrophobicContact CD2-CD1 3.88Å; L406-I443 HydrophobicContact CD2-CG2 4.1Å
407I80.2Confident74.4Confident10 Ų1047.7 Ų47.75%0.05124%0.24CC..Hα-helixtrans-63-42.4179.4-75.3174.2000111.5I403 E404 Q405 N411 I412 N414 I417 L429 M433I403-I407 HydrophobicContact CG2-CD1 3.72Å; I403-I407 HydrophobicContact CG2-CG1 4.48Å; I403-I407 WeakPolarHBondContact O-CB 3.07Å; I403-I407 VanDerWaalsContact O-CG1 3.26Å; I403-I407 WeakPolarHBondContact O-CG1 3.39Å; I403-I407 PolarHBondContact O-N 3.15Å; E404-I407 PolarHBondContact O-N 3.07Å; Q405-I407 PolarHBondContact O-N 3.24Å; I407-N411 WeakPolarHBondContact O-CA 3.38Å; I407-N411 PolarHBondContact O-N 3.16Å; I407-I412 HydrophobicContact CG2-CB 4.21Å; I407-I412 WeakPolarHBondContact CG2-O 3.44Å; I407-I412 PolarHBondContact O-N 2.84Å; I407-I412 VanDerWaalsContact O-N 3.07Å; I407-N414 HydrophobicContact CD1-CB 4.46Å; I407-I417 HydrophobicContact CB-CD1 4.48Å; I407-I417 HydrophobicContact CD1-CD1 3.56Å; I407-I417 HydrophobicContact CD1-CG1 3.79Å; I407-I417 HydrophobicContact CG2-CD1 3.8Å; I407-L429 HydrophobicContact CD1-CD2 4.35Å; I407-M433 HydrophobicContact CD1-CE 4.12Å; I407-M433 HydrophobicContact CD1-SD 4.3Å; I407-M433 HydrophobicContact CG1-CE 4.02Å; I407-M433 HydrophobicContact CG1-CG 4.4Å; I407-M433 HydrophobicContact CG1-SD 3.65Å
408M77.4Confident73.2Confident60 Ų6053.2 Ų53.230%0.29626%0.263SS..Hα-helixtrans-61.9-43.5172.7-72.9175.718000111.7Q247 N250 E251 E404 Q405 L406 N411Q247-M408 HydrophobicContact CB-CE 4.09Å; Q247-M408 HydrophobicContact CG-CE 4.25Å; N250-M408 HydrophobicContact CB-CE 4.25Å; E251-M408 HydrophobicContact CG-SD 4.38Å; E404-M408 WeakPolarHBondContact O-CB 3.45Å; E404-M408 VanDerWaalsContact O-CG 3.25Å; E404-M408 WeakPolarHBondContact O-CG 3.45Å; E404-M408 PolarHBondContact O-N 2.56Å; Q405-M408 PolarHBondContact O-N 3.14Å; L406-M408 PolarHBondContact O-N 3.26Å; M408-N411 PolarHBondContact O-N 2.89Å; M408-N411 PolarHBondContact O-OD1 2.95Å
409K82Confident71.7Confident103 Ų10356 Ų5645%0.44828%0.282SS..Hα-helixtrans-75.4-21.5-178.6-65.6-67.4-178.9-1770114.1I380 Q405 L406 K441I380-K409 HydrophobicContact CD1-CB 3.8Å; I380-K409 HydrophobicContact CG1-CB 4.06Å; I380-K409 HydrophobicContact CG2-CB 4.27Å; I380-K409 HydrophobicContact CG2-CG 4.29Å; Q405-K409 WeakPolarHBondContact O-CB 3.31Å; Q405-K409 VanDerWaalsContact O-CG 3.24Å; Q405-K409 WeakPolarHBondContact O-CG 3.33Å; Q405-K409 PolarHBondContact O-N 3.44Å; L406-K409 PolarHBondContact O-N 2.92Å; K409-K441 PolarHBondContact O-NZ 3.38Å
410F77.4Confident70.4Confident37 Ų3756.4 Ų56.416%0.16228%0.284CS..Hα-helixtrans-97.8-3.6171.6-75.2-65.4000114I380 L406 I412 K441 I443I380-F410 HydrophobicContact CD1-CD1 4.35Å; I380-F410 HydrophobicContact CD1-CD2 4.07Å; I380-F410 HydrophobicContact CD1-CE1 3.97Å; I380-F410 HydrophobicContact CD1-CE2 3.67Å; I380-F410 HydrophobicContact CD1-CG 4.39Å; I380-F410 HydrophobicContact CD1-CZ 3.6Å; L406-F410 HydrophobicContact CB-CD2 4.47Å; L406-F410 HydrophobicContact CD2-CE2 4.15Å; L406-F410 WeakPolarHBondContact O-CB 3.13Å; L406-F410 VanDerWaalsContact O-CD2 3.29Å; L406-F410 WeakPolarHBondContact O-CD2 3.4Å; L406-F410 PolarHBondContact O-N 3.08Å; F410-I412 VanDerWaalsContact C-N 3.35Å; F410-I412 HydrophobicContact CB-CD1 3.65Å; F410-I412 HydrophobicContact CB-CG1 3.78Å; F410-I412 HydrophobicContact CG-CD1 4.4Å; F410-I412 PolarHBondContact O-N 3.41Å; F410-K441 HydrophobicContact CD1-CD 3.98Å; F410-K441 HydrophobicContact CE1-CB 3.79Å; F410-K441 HydrophobicContact CE1-CD 3.9Å; F410-K441 HydrophobicContact CE1-CG 4.41Å; F410-K441 HydrophobicContact CZ-CB 4.27Å; F410-I443 HydrophobicContact CE2-CD1 3.95Å; F410-I443 HydrophobicContact CZ-CD1 4.02Å
411N70.5Confident69.4Low137 Ų13756.6 Ų56.673%0.73329%0.286SS*.THydrogen-bonded Turntrans53.941.9-175.1-68.4-40.5000114.2I407 M408I407-N411 WeakPolarHBondContact O-CA 3.38Å; I407-N411 PolarHBondContact O-N 3.16Å; M408-N411 PolarHBondContact O-N 2.89Å; M408-N411 PolarHBondContact O-OD1 2.95Å
412I69.9Low68.7Low36 Ų3662 Ų6219%0.18531%0.311CS..  trans-86.4117.7-176.5-63.2168.3000110.8I407 F410 N414 M433 Y436I407-I412 HydrophobicContact CG2-CB 4.21Å; I407-I412 WeakPolarHBondContact CG2-O 3.44Å; I407-I412 PolarHBondContact O-N 2.84Å; I407-I412 VanDerWaalsContact O-N 3.07Å; F410-I412 VanDerWaalsContact C-N 3.35Å; F410-I412 HydrophobicContact CB-CD1 3.65Å; F410-I412 HydrophobicContact CB-CG1 3.78Å; F410-I412 HydrophobicContact CG-CD1 4.4Å; F410-I412 PolarHBondContact O-N 3.41Å; I412-N414 HydrophobicContact CG2-CB 4.33Å; I412-N414 PolarHBondContact O-N 3.45Å; I412-M433 HydrophobicContact CD1-CE 4.12Å; I412-M433 HydrophobicContact CD1-SD 3.58Å; I412-M433 VanDerWaalsContact CD1-SD 3.58Å; I412-M433 HydrophobicContact CG2-CE 4.45Å; I412-Y436 HydrophobicContact CD1-CD2 3.76Å; I412-Y436 HydrophobicContact CD1-CE2 3.7Å; I412-Y436 HydrophobicContact CD1-CG 4.5Å
413N60.8Low68.1Low162 Ų16264.5 Ų64.587%0.86632%0.321SS*.  trans-77.758.7-179.9-78.2-26.1000113.8Q415N413-Q415 PolarHBondContact O-N 3.39Å
414N53.9Low67.7Low61 Ų6167.4 Ų67.433%0.32635%0.345SS..  trans-85.6103.1174.3-87.4-21.6000111.6I407 I412 N416 I417 M433I407-N414 HydrophobicContact CD1-CB 4.46Å; I412-N414 HydrophobicContact CG2-CB 4.33Å; I412-N414 PolarHBondContact O-N 3.45Å; N414-N416 PolarHBondContact O-N 3.47Å; N414-I417 HydrophobicContact CB-CD1 4.11Å; N414-I417 HydrophobicContact CB-CG1 4.02Å; N414-I417 WeakPolarHBondContact O-CD1 3.43Å; N414-I417 VanDerWaalsContact O-CG1 3.28Å; N414-I417 WeakPolarHBondContact O-CG1 3.18Å; N414-M433 WeakPolarHBondContact ND2-CE 3.31Å
415Q54.4Low67.6Low176 Ų17669.5 Ų69.582%0.82236%0.355SS*.G310 helixtrans-66.4-28.3173.5-63.5-174.41.400112.5N413 I417N413-Q415 PolarHBondContact O-N 3.39Å; Q415-I417 PolarHBondContact O-N 2.99Å
416N50.4Low67.4Low118 Ų11868.5 Ų68.563%0.63135%0.35SS*.G310 helixtrans-68.20.9-174.6-57.120.2000114.6N414 S419 L420N414-N416 PolarHBondContact O-N 3.47Å; N416-S419 WeakPolarHBondContact CA-OG 3.18Å; N416-S419 PolarHBondContact O-N 3.01Å; N416-S419 PolarHBondContact O-OG 2.97Å; N416-L420 PolarHBondContact O-N 3.15Å; N416-L420 VanDerWaalsContact O-N 3.09Å
417I55.6Low67.4Low26 Ų2669.5 Ų69.513%0.13336%0.357CS..G310 helixtrans-66.1-38.4177.5-59.7161.9000111E404 I407 N414 Q415 S419 L420 R809E404-I417 HydrophobicContact CG-CG2 3.76Å; E404-I417 WeakPolarHBondContact OE1-CG2 3.29Å; I407-I417 HydrophobicContact CB-CD1 4.48Å; I407-I417 HydrophobicContact CD1-CD1 3.56Å; I407-I417 HydrophobicContact CD1-CG1 3.79Å; I407-I417 HydrophobicContact CG2-CD1 3.8Å; N414-I417 HydrophobicContact CB-CD1 4.11Å; N414-I417 HydrophobicContact CB-CG1 4.02Å; N414-I417 WeakPolarHBondContact O-CD1 3.43Å; N414-I417 VanDerWaalsContact O-CG1 3.28Å; N414-I417 WeakPolarHBondContact O-CG1 3.18Å; Q415-I417 PolarHBondContact O-N 2.99Å; I417-S419 PolarHBondContact O-N 3.3Å; I417-L420 WeakPolarHBondContact O-CB 3.42Å; I417-L420 PolarHBondContact O-N 3.48Å; I417-L420 VanDerWaalsContact O-N 3.11Å; I417-R809 PolarHBondContact O-NH1 2.98Å
418K52.8Low67.5Low125 Ų12576.6 Ų76.654%0.54338%0.382SS..THydrogen-bonded Turntrans-65.1-24.2178.4-68.2-173.3178-176.90113
419S53.4Low67.8Low60 Ų6075.1 Ų75.142%0.4238%0.376SS..THydrogen-bonded Turntrans-95.4-9.6175.149.70000113.7N416 I417 C421N416-S419 WeakPolarHBondContact CA-OG 3.18Å; N416-S419 PolarHBondContact O-N 3.01Å; N416-S419 PolarHBondContact O-OG 2.97Å; I417-S419 PolarHBondContact O-N 3.3Å; S419-C421 WeakPolarHBondContact O-CB 3.25Å; S419-C421 PolarHBondContact O-N 2.97Å; S419-C421 PolarHBondContact O-SG 2.99Å
420L59.3Low68Low9 Ų970.3 Ų70.35%0.04736%0.355CS..  trans-66.6101.9-177.2-172.9138.5000109.8I400 N416 I417 E425 A426 L429 R809I400-L420 HydrophobicContact CD1-CD2 4.03Å; I400-L420 HydrophobicContact CG1-CD2 3.77Å; N416-L420 PolarHBondContact O-N 3.15Å; N416-L420 VanDerWaalsContact O-N 3.09Å; I417-L420 WeakPolarHBondContact O-CB 3.42Å; I417-L420 PolarHBondContact O-N 3.48Å; I417-L420 VanDerWaalsContact O-N 3.11Å; L420-E425 HydrophobicContact CG-CB 4.39Å; L420-A426 HydrophobicContact CD2-CB 4.05Å; L420-L429 HydrophobicContact CD1-CB 4.14Å; L420-L429 HydrophobicContact CD1-CD1 3.88Å; L420-L429 HydrophobicContact CD1-CD2 4.23Å; L420-L429 HydrophobicContact CD1-CG 4.31Å; L420-R809 PolarHBondContact O-NH1 3.21Å
421C59.1Low68.4Low9 Ų970.8 Ų70.86%0.06136%0.359CS..  trans-117.8-36.2-167.6-78.20000112Q396 S419 N811 S843Q396-C421 PolarHBondContact NE2-O 3.18Å; S419-C421 WeakPolarHBondContact O-CB 3.25Å; S419-C421 PolarHBondContact O-N 2.97Å; S419-C421 PolarHBondContact O-SG 2.99Å; C421-N811 WeakPolarHBondContact CA-ND2 3.28Å; C421-N811 WeakPolarHBondContact CB-ND2 3.43Å; C421-N811 PolarHBondContact O-ND2 3.28Å; C421-N811 PolarHBondContact O-OD1 2.85Å; C421-S843 VanDerWaalsContact CB-OG 3.31Å; C421-S843 WeakPolarHBondContact CB-OG 3.15Å; C421-S843 VanDerWaalsContact SG-CB 3.57Å; C421-S843 PolarHBondContact SG-OG 3.49Å
422E67.5Low69.1Low120 Ų12066.8 Ų66.856%0.56134%0.34SS*.  trans-82.1140.4-176.5-57-163.2156.200112.2A424 E425 A426E422-A424 PolarHBondContact O-N 3.04Å; E422-E425 HydrophobicContact CB-CB 4.07Å; E422-E425 HydrophobicContact CB-CG 3.97Å; E422-E425 HydrophobicContact CG-CG 4.45Å; E422-E425 WeakPolarHBondContact O-CB 3.18Å; E422-E425 PolarHBondContact O-N 3.03Å; E422-A426 PolarHBondContact O-N 3.28Å
423Y73.7Confident69.8Low55 Ų5565.2 Ų65.222%0.21633%0.332CS..Hα-helixtrans-58.1-36.6167.6172.9-100.7000112L395 Q396 L399 A426 V427 H458 W464L395-Y423 HydrophobicContact CD2-CE2 3.74Å; L395-Y423 WeakPolarHBondContact CD2-OH 3.14Å; L395-Y423 HydrophobicContact CG-CE2 4.04Å; Q396-Y423 HydrophobicContact CB-CD2 4.35Å; L399-Y423 HydrophobicContact CD1-CD2 3.92Å; L399-Y423 HydrophobicContact CD1-CE2 3.64Å; Y423-A426 WeakPolarHBondContact O-CB 3.42Å; Y423-A426 PolarHBondContact O-N 3.49Å; Y423-V427 HydrophobicContact CE1-CG2 4.26Å; Y423-V427 HydrophobicContact CE2-CG2 4.38Å; Y423-V427 WeakPolarHBondContact O-CG2 3.41Å; Y423-V427 PolarHBondContact O-N 3.47Å; Y423-H458 AromaticContact CE1-ND1 3.95Å; Y423-W464 WeakPolarHBondContact OH-CB 3.41Å
424A76.7Confident71Confident63 Ų6357.5 Ų57.552%0.52129%0.29SS..Hα-helixtrans-67.4-39175.500000112.3E422 V427 R428E422-A424 PolarHBondContact O-N 3.04Å; A424-V427 PolarHBondContact O-N 3.45Å; A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.48Å; A424-R428 PolarHBondContact O-N 3.42Å
425E76.7Confident72.4Confident71 Ų7157.6 Ų57.633%0.33230%0.296SS..Hα-helixtrans-63.6-41.9169.8-74.3-170.812400112L420 E422 R428 L429L420-E425 HydrophobicContact CG-CB 4.39Å; E422-E425 HydrophobicContact CB-CB 4.07Å; E422-E425 HydrophobicContact CB-CG 3.97Å; E422-E425 HydrophobicContact CG-CG 4.45Å; E422-E425 WeakPolarHBondContact O-CB 3.18Å; E422-E425 PolarHBondContact O-N 3.03Å; E425-R428 PolarHBondContact O-N 2.55Å; E425-L429 WeakPolarHBondContact O-CB 3.26Å; E425-L429 PolarHBondContact O-N 3.45Å
426A79.4Confident73.8Confident0 Ų054.5 Ų54.50%028%0.277CS..Hα-helixtrans-60.5-46.7175.700000111.2L399 I400 I403 L420 E422 Y423 L430L399-A426 HydrophobicContact CB-CB 4.32Å; I400-A426 HydrophobicContact CG1-CB 4.5Å; I403-A426 HydrophobicContact CD1-CB 4.22Å; I403-A426 WeakPolarHBondContact CD1-O 3.49Å; L420-A426 HydrophobicContact CD2-CB 4.05Å; E422-A426 PolarHBondContact O-N 3.28Å; Y423-A426 WeakPolarHBondContact O-CB 3.42Å; Y423-A426 PolarHBondContact O-N 3.49Å; A426-L430 WeakPolarHBondContact O-CB 3.48Å; A426-L430 PolarHBondContact O-N 3.04Å
427V84Confident75.5Confident22 Ų2249 Ų4913%0.13325%0.248CC..Hα-helixtrans-64.3-45.4176.1171.70000111.7L399 Y423 A424 L429 L430 N431 W464L399-V427 HydrophobicContact CD1-CG2 4.01Å; Y423-V427 HydrophobicContact CE1-CG2 4.26Å; Y423-V427 HydrophobicContact CE2-CG2 4.38Å; Y423-V427 WeakPolarHBondContact O-CG2 3.41Å; Y423-V427 PolarHBondContact O-N 3.47Å; A424-V427 PolarHBondContact O-N 3.45Å; V427-L429 PolarHBondContact O-N 3.39Å; V427-L430 PolarHBondContact O-N 2.89Å; V427-N431 WeakPolarHBondContact O-CB 3.49Å; V427-N431 PolarHBondContact O-N 3.2Å; V427-N431 PolarHBondContact O-ND2 3.26Å; V427-W464 HydrophobicContact CG2-CB 3.7Å
428R82.9Confident76.8Confident158 Ų15850.4 Ų50.460%0.59626%0.256SS*.Hα-helixtrans-62.2-44.2177.9-175.2-179.670.889.9-4.4112A424 E425 N431 T432A424-R428 VanDerWaalsContact O-CB 3.29Å; A424-R428 WeakPolarHBondContact O-CB 3.48Å; A424-R428 PolarHBondContact O-N 3.42Å; E425-R428 PolarHBondContact O-N 2.55Å; R428-N431 PolarHBondContact O-N 3.47Å; R428-T432 PolarHBondContact O-N 2.89Å; R428-T432 PolarHBondContact O-OG1 3.46Å
429L82.8Confident77.9Confident29 Ų2947.3 Ų47.315%0.15225%0.249CC..Hα-helixtrans-76.2-32.7-178.9-169.2141.7000111.3I403 I407 L420 E425 V427 T432 M433I403-L429 HydrophobicContact CB-CD2 4.28Å; I403-L429 HydrophobicContact CD1-CD2 3.94Å; I403-L429 HydrophobicContact CG1-CD2 3.94Å; I403-L429 HydrophobicContact CG2-CD2 3.37Å; I407-L429 HydrophobicContact CD1-CD2 4.35Å; L420-L429 HydrophobicContact CD1-CB 4.14Å; L420-L429 HydrophobicContact CD1-CD1 3.88Å; L420-L429 HydrophobicContact CD1-CD2 4.23Å; L420-L429 HydrophobicContact CD1-CG 4.31Å; E425-L429 WeakPolarHBondContact O-CB 3.26Å; E425-L429 PolarHBondContact O-N 3.45Å; V427-L429 PolarHBondContact O-N 3.39Å; L429-T432 CarbonylContact O-C 3.5Å; L429-T432 PolarHBondContact O-N 2.69Å; L429-M433 HydrophobicContact CD2-CE 3.99Å; L429-M433 HydrophobicContact CD2-CG 3.7Å; L429-M433 HydrophobicContact CG-CE 4.17Å; L429-M433 HydrophobicContact CG-CG 4.37Å; L429-M433 WeakPolarHBondContact O-CB 3.5Å; L429-M433 WeakPolarHBondContact O-CG 3.38Å; L429-M433 PolarHBondContact O-N 2.81Å
430L87.1Confident79.2Confident3 Ų347.6 Ų47.62%0.01625%0.245CC..Hα-helixtrans-59-50.2166.9177.562.2000110.4L399 I402 I403 L406 A426 V427 T432 M433 L434L399-L430 HydrophobicContact CD2-CD2 3.42Å; L399-L430 VanDerWaalsContact CD2-CD2 3.42Å; I402-L430 HydrophobicContact CG2-CD1 3.7Å; I403-L430 HydrophobicContact CD1-CB 4.19Å; I403-L430 HydrophobicContact CG1-CB 4.19Å; I403-L430 HydrophobicContact CG1-CD1 4.42Å; L406-L430 HydrophobicContact CD1-CD1 3.93Å; A426-L430 WeakPolarHBondContact O-CB 3.48Å; A426-L430 PolarHBondContact O-N 3.04Å; V427-L430 PolarHBondContact O-N 2.89Å; L430-T432 PolarHBondContact O-N 2.7Å; L430-M433 PolarHBondContact O-N 3.36Å; L430-L434 HydrophobicContact CD1-CD1 4.25Å; L430-L434 HydrophobicContact CD1-CD2 4.38Å; L430-L434 HydrophobicContact CD1-CG 3.96Å; L430-L434 HydrophobicContact CG-CD1 3.97Å; L430-L434 HydrophobicContact CG-CG 4.15Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 VanDerWaalsContact O-CG 3.28Å; L430-L434 WeakPolarHBondContact O-CG 3.24Å; L430-L434 PolarHBondContact O-N 2.88Å
431N85.6Confident80.3Confident47 Ų4749.1 Ų49.125%0.25125%0.252SS..Hα-helixtrans-59-34.6177.3-74.9-32.4000112.5V427 R428 S435 P466V427-N431 WeakPolarHBondContact O-CB 3.49Å; V427-N431 PolarHBondContact O-N 3.2Å; V427-N431 PolarHBondContact O-ND2 3.26Å; R428-N431 PolarHBondContact O-N 3.47Å; N431-S435 PolarHBondContact O-N 3.32Å; N431-P466 WeakPolarHBondContact OD1-CD 3.2Å; N431-P466 WeakPolarHBondContact OD1-CG 3.5Å
432T84.7Confident81.6Confident53 Ų5348.9 Ų48.933%0.32525%0.25SC..Hα-helixtrans-69.8-44.5172.5-52.10000111.6R428 L429 L430 L434 S435 Y436R428-T432 PolarHBondContact O-N 2.89Å; R428-T432 PolarHBondContact O-OG1 3.46Å; L429-T432 CarbonylContact O-C 3.5Å; L429-T432 PolarHBondContact O-N 2.69Å; L430-T432 PolarHBondContact O-N 2.7Å; T432-L434 PolarHBondContact O-N 3.43Å; T432-S435 WeakPolarHBondContact O-CB 3.34Å; T432-S435 PolarHBondContact O-N 3.48Å; T432-S435 VanDerWaalsContact O-N 3.09Å; T432-S435 PolarHBondContact O-OG 3.33Å; T432-Y436 HydrophobicContact CG2-CE2 4.41Å
433M84.2Confident82.7Confident2 Ų243.1 Ų43.11%0.0122%0.223CC..Hα-helixtrans-66.5-36.4179.4-69.8-62.2144.800112.4L406 I407 I412 N414 L429 L430 S435 Y436L406-M433 HydrophobicContact CB-CB 4.32Å; L406-M433 HydrophobicContact CD1-CB 3.74Å; I407-M433 HydrophobicContact CD1-CE 4.12Å; I407-M433 HydrophobicContact CD1-SD 4.3Å; I407-M433 HydrophobicContact CG1-CE 4.02Å; I407-M433 HydrophobicContact CG1-CG 4.4Å; I407-M433 HydrophobicContact CG1-SD 3.65Å; I412-M433 HydrophobicContact CD1-CE 4.12Å; I412-M433 HydrophobicContact CD1-SD 3.58Å; I412-M433 VanDerWaalsContact CD1-SD 3.58Å; I412-M433 HydrophobicContact CG2-CE 4.45Å; N414-M433 WeakPolarHBondContact ND2-CE 3.31Å; L429-M433 HydrophobicContact CD2-CE 3.99Å; L429-M433 HydrophobicContact CD2-CG 3.7Å; L429-M433 HydrophobicContact CG-CE 4.17Å; L429-M433 HydrophobicContact CG-CG 4.37Å; L429-M433 WeakPolarHBondContact O-CB 3.5Å; L429-M433 WeakPolarHBondContact O-CG 3.38Å; L429-M433 PolarHBondContact O-N 2.81Å; L430-M433 PolarHBondContact O-N 3.36Å; M433-S435 VanDerWaalsContact C-N 3.28Å; M433-S435 PolarHBondContact O-N 3.4Å; M433-Y436 HydrophobicContact CE-CE2 4.1Å; M433-Y436 PolarHBondContact O-N 3.09Å; M433-Y436 HydrophobicContact SD-CD2 4.04Å; M433-Y436 HydrophobicContact SD-CE2 3.95Å
434L85.8Confident83.5Confident0 Ų040.5 Ų40.50%021%0.213CC..Hα-helixtrans-61-34.9170.6-73.6178.4000111.8L430 T432 Y436 A437 I445 P470 I474L430-L434 HydrophobicContact CD1-CD1 4.25Å; L430-L434 HydrophobicContact CD1-CD2 4.38Å; L430-L434 HydrophobicContact CD1-CG 3.96Å; L430-L434 HydrophobicContact CG-CD1 3.97Å; L430-L434 HydrophobicContact CG-CG 4.15Å; L430-L434 WeakPolarHBondContact O-CB 3.33Å; L430-L434 VanDerWaalsContact O-CG 3.28Å; L430-L434 WeakPolarHBondContact O-CG 3.24Å; L430-L434 PolarHBondContact O-N 2.88Å; T432-L434 PolarHBondContact O-N 3.43Å; L434-Y436 PolarHBondContact O-N 3.1Å; L434-A437 WeakPolarHBondContact O-CB 3.47Å; L434-A437 PolarHBondContact O-N 2.87Å; L434-A437 VanDerWaalsContact O-N 3.09Å; L434-I445 HydrophobicContact CD2-CD1 3.75Å; L434-P470 HydrophobicContact CB-CG 3.82Å; L434-I474 HydrophobicContact CB-CD1 4.02Å; L434-I474 HydrophobicContact CD2-CD1 4.45Å; L434-I474 HydrophobicContact CD2-CG2 4.02Å; L434-I474 WeakPolarHBondContact O-CD1 3.36Å
435S83.7Confident84.2Confident63 Ų6337.6 Ų37.644%0.44119%0.188SC..Hα-helixtrans-66.6-19.2179.379.20000114.5N431 T432 M433 A437N431-S435 PolarHBondContact O-N 3.32Å; T432-S435 WeakPolarHBondContact O-CB 3.34Å; T432-S435 PolarHBondContact O-N 3.48Å; T432-S435 VanDerWaalsContact O-N 3.09Å; T432-S435 PolarHBondContact O-OG 3.33Å; M433-S435 VanDerWaalsContact C-N 3.28Å; M433-S435 PolarHBondContact O-N 3.4Å; S435-A437 PolarHBondContact O-N 3.3Å
436Y85.1Confident84.9Confident111 Ų11134.2 Ų34.244%0.43517%0.173SC..THydrogen-bonded Turntrans-75.2-8172.7-63.5-64.1000113.9I412 T432 M433 L434 N438I412-Y436 HydrophobicContact CD1-CD2 3.76Å; I412-Y436 HydrophobicContact CD1-CE2 3.7Å; I412-Y436 HydrophobicContact CD1-CG 4.5Å; T432-Y436 HydrophobicContact CG2-CE2 4.41Å; M433-Y436 HydrophobicContact CE-CE2 4.1Å; M433-Y436 PolarHBondContact O-N 3.09Å; M433-Y436 HydrophobicContact SD-CD2 4.04Å; M433-Y436 HydrophobicContact SD-CE2 3.95Å; L434-Y436 PolarHBondContact O-N 3.1Å; Y436-N438 PolarHBondContact O-N 3Å; Y436-N438 PolarHBondContact O-ND2 3.31Å
437A84.7Confident85.5Confident2 Ų234.3 Ų34.32%0.01717%0.173CC..  trans-54.7130.5171.600000110.6L434 S435 I443 N471 I474L434-A437 WeakPolarHBondContact O-CB 3.47Å; L434-A437 PolarHBondContact O-N 2.87Å; L434-A437 VanDerWaalsContact O-N 3.09Å; S435-A437 PolarHBondContact O-N 3.3Å; A437-I443 HydrophobicContact CB-CD1 3.63Å; A437-I443 HydrophobicContact CB-CG1 3.82Å; A437-N471 HydrophobicContact CB-CB 4.49Å; A437-N471 PolarHBondContact O-ND2 3.41Å; A437-I474 HydrophobicContact CB-CD1 4.03Å; A437-I474 HydrophobicContact CB-CG1 3.43Å; A437-I474 VanDerWaalsContact CB-CG1 3.43Å
438N83.2Confident85.7Confident56 Ų5633.7 Ų33.730%0.29917%0.169SC..BIsolated β-bridgetrans-149.3170.5-175.473.552.7000109Y436 L440 K441 P442Y436-N438 PolarHBondContact O-N 3Å; Y436-N438 PolarHBondContact O-ND2 3.31Å; N438-L440 PolarHBondContact O-N 2.87Å; N438-L440 VanDerWaalsContact O-N 3.09Å; N438-L440 WeakPolarHBondContact OD1-CA 3.42Å; N438-L440 VanDerWaalsContact OD1-CB 3.27Å; N438-L440 WeakPolarHBondContact OD1-CB 3.34Å; N438-L440 PolarHBondContact OD1-N 3.19Å; N438-K441 PolarHBondContact N-O 3.46Å; N438-K441 CarbonylContact O-C 3.57Å; N438-K441 PolarHBondContact O-N 2.93Å; N438-K441 VanDerWaalsContact O-N 3.08Å; N438-K441 PolarHBondContact OD1-N 3.02Å; N438-P442 VanDerWaalsContact O-N 3.1Å
439P76.7Confident86Confident61 Ų6127.1 Ų27.140%0.39615%0.145SC..THydrogen-bonded Turntrans-65.7-17.2-173.725.4-32.5000114I377 Y473I377-P439 WeakPolarHBondContact CG2-O 3.5Å; P439-Y473 HydrophobicContact CB-CD1 4.26Å; P439-Y473 HydrophobicContact CB-CE1 3.71Å; P439-Y473 HydrophobicContact CB-CE2 4.32Å; P439-Y473 HydrophobicContact CG-CE2 4.34Å
440L79.4Confident86.3Confident66 Ų6625.7 Ų25.735%0.34614%0.138SC..THydrogen-bonded Turntrans-89.3-25.9177.3-47.9172.6000112.1S375 I377 E378 N438 P442S375-L440 WeakPolarHBondContact OG-CD1 3.45Å; S375-L440 WeakPolarHBondContact OG-CD2 3.27Å; I377-L440 CarbonylContact C-O 3.57Å; I377-L440 WeakPolarHBondContact CA-O 3.34Å; I377-L440 HydrophobicContact CG1-CD2 4.36Å; E378-L440 PolarHBondContact N-O 3.39Å; N438-L440 PolarHBondContact O-N 2.87Å; N438-L440 VanDerWaalsContact O-N 3.09Å; N438-L440 WeakPolarHBondContact OD1-CA 3.42Å; N438-L440 VanDerWaalsContact OD1-CB 3.27Å; N438-L440 WeakPolarHBondContact OD1-CB 3.34Å; N438-L440 PolarHBondContact OD1-N 3.19Å; L440-P442 VanDerWaalsContact C-CD 3.49Å
441K84.1Confident86Confident41 Ų4127.4 Ų27.418%0.17815%0.146CC..BIsolated β-bridgetrans-130.770173.6-67.5-161.9166.6-158.40110.3E378 I380 K409 F410 N438E378-K441 HydrophobicContact CB-CG 4.5Å; E378-K441 WeakPolarHBondContact OE2-CE 3.29Å; E378-K441 IonicContact OE2-NZ 3.52Å; E378-K441 PolarHBondContact OE2-NZ 3.42Å; I380-K441 HydrophobicContact CD1-CB 4.11Å; I380-K441 HydrophobicContact CD1-CD 4.2Å; I380-K441 HydrophobicContact CG1-CB 4.39Å; K409-K441 PolarHBondContact O-NZ 3.38Å; F410-K441 HydrophobicContact CD1-CD 3.98Å; F410-K441 HydrophobicContact CE1-CB 3.79Å; F410-K441 HydrophobicContact CE1-CD 3.9Å; F410-K441 HydrophobicContact CE1-CG 4.41Å; F410-K441 HydrophobicContact CZ-CB 4.27Å; N438-K441 PolarHBondContact N-O 3.46Å; N438-K441 CarbonylContact O-C 3.57Å; N438-K441 PolarHBondContact O-N 2.93Å; N438-K441 VanDerWaalsContact O-N 3.08Å; N438-K441 PolarHBondContact OD1-N 3.02Å
442P86.3Confident85.9Confident3 Ų328.4 Ų28.42%0.01915%0.147CC..  trans-69.3146.4171.731.4-34.6000109.2F350 I377 P379 I380 N438 L440 Y473F350-P442 HydrophobicContact CZ-CB 4.15Å; F350-P442 HydrophobicContact CZ-CG 4.37Å; I377-P442 HydrophobicContact CG2-CG 4.12Å; P379-P442 HydrophobicContact CB-CG 4.27Å; I380-P442 PolarHBondContact N-O 2.79Å; N438-P442 VanDerWaalsContact O-N 3.1Å; L440-P442 VanDerWaalsContact C-CD 3.49Å; P442-Y473 WeakPolarHBondContact CA-O 3.43Å
443I90Very high85.8Confident0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-116.5125.3-171.4-47.2-178.4000110I380 L406 F410 A437 I445 Y473 I474 R475I380-I443 HydrophobicContact CB-CG1 4.4Å; I380-I443 HydrophobicContact CB-CG2 4.46Å; I380-I443 HydrophobicContact CG2-CG2 4.3Å; I380-I443 CarbonylContact O-C 3.55Å; I380-I443 WeakPolarHBondContact O-CA 3.46Å; L406-I443 HydrophobicContact CD2-CD1 3.88Å; L406-I443 HydrophobicContact CD2-CG2 4.1Å; F410-I443 HydrophobicContact CE2-CD1 3.95Å; F410-I443 HydrophobicContact CZ-CD1 4.02Å; A437-I443 HydrophobicContact CB-CD1 3.63Å; A437-I443 HydrophobicContact CB-CG1 3.82Å; I443-I445 HydrophobicContact CG2-CD1 4.27Å; I443-I445 HydrophobicContact CG2-CG1 3.82Å; I443-Y473 PolarHBondContact N-O 3.32Å; I443-I474 CarbonylContact O-C 3.58Å; I443-I474 WeakPolarHBondContact O-CA 3.4Å; I443-R475 PolarHBondContact O-N 3.11Å
444L90.5Very high85.2Confident0 Ų026.1 Ų26.10%013%0.132CC..EExtended strand (participates in β ladder)trans-110.7120.2164.3-18068.2000109.5L321 T346 F350 I380 I381 I382 L446 R475L321-L444 HydrophobicContact CD2-CD1 3.92Å; T346-L444 HydrophobicContact CG2-CD2 4.25Å; F350-L444 HydrophobicContact CB-CD2 3.78Å; F350-L444 HydrophobicContact CD1-CB 3.63Å; F350-L444 HydrophobicContact CD1-CD2 3.84Å; F350-L444 HydrophobicContact CD1-CG 4.35Å; F350-L444 HydrophobicContact CD2-CB 4.38Å; F350-L444 HydrophobicContact CD2-CD2 4.47Å; F350-L444 HydrophobicContact CE1-CB 3.47Å; F350-L444 VanDerWaalsContact CE1-CB 3.47Å; F350-L444 HydrophobicContact CE2-CB 4.24Å; F350-L444 HydrophobicContact CG-CB 4.09Å; F350-L444 HydrophobicContact CG-CD2 3.79Å; F350-L444 HydrophobicContact CG-CG 4.46Å; F350-L444 HydrophobicContact CZ-CB 3.79Å; I380-L444 PolarHBondContact O-N 3.27Å; I381-L444 WeakPolarHBondContact CA-O 3.35Å; I381-L444 HydrophobicContact CG1-CB 4.26Å; I382-L444 PolarHBondContact N-O 3.32Å; L444-L446 HydrophobicContact CD1-CD2 3.74Å; L444-L446 HydrophobicContact CD2-CD1 4.32Å; L444-L446 HydrophobicContact CD2-CD2 4.07Å; L444-L446 HydrophobicContact CD2-CG 4.14Å; L444-L446 HydrophobicContact CG-CD2 3.82Å; L444-L446 HydrophobicContact CG-CG 4.05Å; L444-R475 WeakPolarHBondContact CA-O 3.25Å; L444-R475 HydrophobicContact CD1-CB 3.69Å
445I91.5Very high84.6Confident1 Ų127.4 Ų27.41%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-109.9121172.9-57.3-178.5000108.4I402 L434 I443 I447 R475 L476 L477I402-I445 HydrophobicContact CD1-CG2 4.15Å; I402-I445 HydrophobicContact CG2-CD1 3.91Å; L434-I445 HydrophobicContact CD2-CD1 3.75Å; I443-I445 HydrophobicContact CG2-CD1 4.27Å; I443-I445 HydrophobicContact CG2-CG1 3.82Å; I445-I447 HydrophobicContact CG2-CD1 4.24Å; I445-I447 HydrophobicContact CG2-CG1 4.11Å; I445-R475 PolarHBondContact N-O 3.23Å; I445-L476 HydrophobicContact CB-CD1 4.08Å; I445-L476 HydrophobicContact CB-CG 4.15Å; I445-L476 HydrophobicContact CD1-CD1 4.34Å; I445-L476 HydrophobicContact CG2-CD1 4.14Å; I445-L476 HydrophobicContact CG2-CG 4.37Å; I445-L476 WeakPolarHBondContact O-CA 3.49Å; I445-L477 PolarHBondContact O-N 3.38Å
446L91Very high84.2Confident1 Ų127.1 Ų27.11%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-114.6131.8176.5-59.6-167000111.2L261 L343 T346 V347 I382 I383 C384 L444 L477L261-L446 HydrophobicContact CD2-CD1 4.1Å; L343-L446 HydrophobicContact CB-CD1 4.16Å; L343-L446 HydrophobicContact CD2-CD1 4.28Å; L343-L446 HydrophobicContact CD2-CD2 4.19Å; T346-L446 HydrophobicContact CG2-CD2 4.33Å; V347-L446 HydrophobicContact CG2-CD1 3.22Å; V347-L446 HydrophobicContact CG2-CG 4.36Å; I382-L446 PolarHBondContact O-N 3.08Å; I383-L446 WeakPolarHBondContact CA-O 3.49Å; I383-L446 HydrophobicContact CG1-CB 4.45Å; C384-L446 PolarHBondContact N-O 2.92Å; L444-L446 HydrophobicContact CD1-CD2 3.74Å; L444-L446 HydrophobicContact CD2-CD1 4.32Å; L444-L446 HydrophobicContact CD2-CD2 4.07Å; L444-L446 HydrophobicContact CD2-CG 4.14Å; L444-L446 HydrophobicContact CG-CD2 3.82Å; L444-L446 HydrophobicContact CG-CG 4.05Å; L446-L477 WeakPolarHBondContact CA-O 3.22Å; L446-L477 HydrophobicContact CD2-CB 3.76Å; L446-L477 HydrophobicContact CD2-CD1 4.33Å; L446-L477 HydrophobicContact CD2-CG 4.48Å
447I91.8Very high83.8Confident2 Ų227 Ų271%0.0114%0.138CC..EExtended strand (participates in β ladder)trans-128.5106.8-175.6-60.1-179000107.7I386 I445 I450 W464 L477 I478 T479I386-I447 HydrophobicContact CD1-CG2 3.3Å; I386-I447 HydrophobicContact CG1-CG2 4.39Å; I445-I447 HydrophobicContact CG2-CD1 4.24Å; I445-I447 HydrophobicContact CG2-CG1 4.11Å; I447-I450 HydrophobicContact CG2-CB 4.25Å; I447-I450 HydrophobicContact CG2-CD1 4.06Å; I447-I450 HydrophobicContact CG2-CG1 3.94Å; I447-W464 HydrophobicContact CD1-CH2 3.8Å; I447-W464 HydrophobicContact CD1-CZ3 4.16Å; I447-L477 PolarHBondContact N-O 2.83Å; I447-I478 HydrophobicContact CB-CG1 4.44Å; I447-I478 HydrophobicContact CB-CG2 4.49Å; I447-I478 HydrophobicContact CG2-CG2 4.4Å; I447-I478 CarbonylContact O-C 3.58Å; I447-I478 WeakPolarHBondContact O-CA 3.43Å; I447-T479 PolarHBondContact O-N 3.29Å
448D89.5Confident83.6Confident9 Ų930.5 Ų30.55%0.04815%0.154CC..EExtended strand (participates in β ladder)trans-99.2134.4-175.6-152.628.6000112.3L261 T340 L343 C384 I386 T479L261-D448 HydrophobicContact CD1-CB 4.47Å; T340-D448 VanDerWaalsContact CB-OD2 3.32Å; T340-D448 WeakPolarHBondContact CB-OD2 3.48Å; T340-D448 VanDerWaalsContact CG2-OD2 3.32Å; T340-D448 WeakPolarHBondContact CG2-OD2 3.22Å; T340-D448 PolarHBondContact OG1-OD2 3.3Å; L343-D448 HydrophobicContact CD1-CB 3.63Å; L343-D448 VanDerWaalsContact CD1-OD1 3.3Å; L343-D448 WeakPolarHBondContact CD1-OD1 3.28Å; C384-D448 PolarHBondContact O-N 3.21Å; I386-D448 WeakPolarHBondContact CB-O 3.28Å; I386-D448 PolarHBondContact N-O 2.81Å; I386-D448 VanDerWaalsContact N-O 3.16Å; D448-T479 VanDerWaalsContact CA-OG1 3.28Å; D448-T479 WeakPolarHBondContact CA-OG1 3.44Å; D448-T479 WeakPolarHBondContact OD1-CB 3.36Å; D448-T479 WeakPolarHBondContact OD1-CG2 3.43Å; D448-T479 PolarHBondContact OD1-OG1 3.03Å
449D87.6Confident83.7Confident19 Ų1927.9 Ų27.910%0.10214%0.14CC..  trans50.666.6-174.7-68-31.8000114.2E451 Y452 T479 N481D449-E451 VanDerWaalsContact C-N 3.29Å; D449-E451 PolarHBondContact O-N 3.4Å; D449-Y452 HydrophobicContact CB-CD2 3.49Å; D449-Y452 VanDerWaalsContact CB-CD2 3.49Å; D449-Y452 HydrophobicContact CB-CE2 3.41Å; D449-Y452 VanDerWaalsContact CB-CE2 3.41Å; D449-Y452 PolarHBondContact O-N 2.95Å; D449-T479 PolarHBondContact N-OG1 2.91Å; D449-N481 PolarHBondContact OD1-ND2 2.96Å
450I88.9Confident84.1Confident0 Ų027.8 Ų27.80%013%0.134CC..G310 helixtrans-64.5-23.7-169.9-156.6176.6000115.7I386 I447 Y452 L453 V459 F462 W464 I478 T479 I485I386-I450 HydrophobicContact CD1-CB 4.28Å; I386-I450 HydrophobicContact CD1-CG1 4.07Å; I447-I450 HydrophobicContact CG2-CB 4.25Å; I447-I450 HydrophobicContact CG2-CD1 4.06Å; I447-I450 HydrophobicContact CG2-CG1 3.94Å; I450-Y452 PolarHBondContact O-N 3.01Å; I450-Y452 VanDerWaalsContact O-N 3.13Å; I450-L453 HydrophobicContact CG1-CD1 3.91Å; I450-L453 WeakPolarHBondContact O-CB 3.49Å; I450-L453 PolarHBondContact O-N 2.85Å; I450-V459 HydrophobicContact CD1-CG1 4.01Å; I450-V459 HydrophobicContact CG1-CG1 3.89Å; I450-V459 HydrophobicContact CG2-CG1 4.49Å; I450-F462 HydrophobicContact CD1-CE1 4.23Å; I450-W464 HydrophobicContact CD1-CH2 4.21Å; I450-W464 HydrophobicContact CD1-CZ2 3.77Å; I450-I478 HydrophobicContact CB-CG2 3.6Å; I450-I478 HydrophobicContact CD1-CD1 4.17Å; I450-I478 HydrophobicContact CD1-CG2 3.54Å; I450-I478 HydrophobicContact CG1-CG2 4.08Å; I450-I478 HydrophobicContact CG2-CG2 3.61Å; I450-T479 WeakPolarHBondContact CG2-O 3.18Å; I450-T479 PolarHBondContact N-O 3.48Å; I450-I485 HydrophobicContact CG2-CD1 3.83Å; I450-I485 HydrophobicContact CG2-CG2 3.94Å
451E82.4Confident84.4Confident38 Ų3829.3 Ų29.318%0.17814%0.14CC..G310 helixtrans-62.1-13.4175.857.5-83.6-16900115.2D449 L453 T480 N481 I485D449-E451 VanDerWaalsContact C-N 3.29Å; D449-E451 PolarHBondContact O-N 3.4Å; E451-L453 VanDerWaalsContact C-N 3.31Å; E451-T480 WeakPolarHBondContact OE2-CA 3.32Å; E451-T480 WeakPolarHBondContact OE2-CB 3.12Å; E451-T480 PolarHBondContact OE2-OG1 2.64Å; E451-N481 VanDerWaalsContact CD-N 3.29Å; E451-N481 WeakPolarHBondContact OE1-CB 3.28Å; E451-N481 PolarHBondContact OE1-N 3.32Å; E451-N481 PolarHBondContact OE1-ND2 2.78Å; E451-N481 PolarHBondContact OE2-N 3.43Å; E451-N481 VanDerWaalsContact OE2-N 3.14Å; E451-I485 HydrophobicContact CB-CD1 3.66Å
452Y82.1Confident84.5Confident68 Ų6827.4 Ų27.427%0.26713%0.132SC..G310 helixtrans-84.6-3.1174-57.1-47.7000113.3D449 I450 E694D449-Y452 HydrophobicContact CB-CD2 3.49Å; D449-Y452 VanDerWaalsContact CB-CD2 3.49Å; D449-Y452 HydrophobicContact CB-CE2 3.41Å; D449-Y452 VanDerWaalsContact CB-CE2 3.41Å; D449-Y452 PolarHBondContact O-N 2.95Å; I450-Y452 PolarHBondContact O-N 3.01Å; I450-Y452 VanDerWaalsContact O-N 3.13Å; Y452-E694 HydrophobicContact CE1-CG 4.19Å; Y452-E694 WeakPolarHBondContact OH-CB 3.28Å
453L83.1Confident84.4Confident3 Ų332.9 Ų32.92%0.01616%0.157CC..SBendtrans-81.9138.4170.1-71.1178.3000112.2I386 L395 V398 I450 E451 V459I386-L453 HydrophobicContact CB-CD2 4.49Å; I386-L453 HydrophobicContact CB-CG 4.49Å; I386-L453 HydrophobicContact CD1-CD1 3.67Å; I386-L453 HydrophobicContact CD1-CD2 4.18Å; I386-L453 HydrophobicContact CD1-CG 3.63Å; I386-L453 HydrophobicContact CG1-CD1 4.42Å; I386-L453 HydrophobicContact CG1-CD2 4.08Å; I386-L453 HydrophobicContact CG1-CG 4.07Å; I386-L453 HydrophobicContact CG2-CB 4.45Å; I386-L453 HydrophobicContact CG2-CD2 3.58Å; I386-L453 HydrophobicContact CG2-CG 3.61Å; L395-L453 HydrophobicContact CB-CD1 4.31Å; L395-L453 HydrophobicContact CD1-CD1 3.8Å; V398-L453 HydrophobicContact CB-CD2 4.39Å; V398-L453 HydrophobicContact CG2-CD2 3.77Å; I450-L453 HydrophobicContact CG1-CD1 3.91Å; I450-L453 WeakPolarHBondContact O-CB 3.49Å; I450-L453 PolarHBondContact O-N 2.85Å; E451-L453 VanDerWaalsContact C-N 3.31Å; L453-V459 HydrophobicContact CB-CG2 3.73Å
454Y71.7Confident84.3Confident5 Ų533.1 Ų33.12%0.0216%0.158CC..BIsolated β-bridgetrans-110.2156.516657.9-102.5000111.8T393 L395 T815 E816 Y819T393-Y454 WeakPolarHBondContact O-CD1 3.11Å; T393-Y454 WeakPolarHBondContact O-CE1 3.19Å; T393-Y454 PolarHBondContact O-N 3.47Å; T393-Y454 PolarHBondContact OG1-OH 2.89Å; L395-Y454 PolarHBondContact N-O 3.01Å; Y454-T815 VanDerWaalsContact CD2-O 3.25Å; Y454-T815 WeakPolarHBondContact CD2-O 3.41Å; Y454-T815 WeakPolarHBondContact CE2-O 3.25Å; Y454-E816 HydrophobicContact CE2-CB 4.34Å; Y454-Y819 HydrophobicContact CD1-CD1 4.1Å; Y454-Y819 AromaticContact CD1-CD2 3.93Å; Y454-Y819 HydrophobicContact CD1-CD2 3.93Å; Y454-Y819 AromaticContact CD1-CG 3.7Å; Y454-Y819 HydrophobicContact CD1-CG 3.7Å; Y454-Y819 HydrophobicContact CD2-CG 4.49Å; Y454-Y819 HydrophobicContact CE1-CD1 4.34Å; Y454-Y819 HydrophobicContact CE1-CG 4.32Å; Y454-Y819 AromaticContact CG-CD2 3.98Å; Y454-Y819 HydrophobicContact CG-CD2 3.98Å; Y454-Y819 AromaticContact CG-CG 3.8Å; Y454-Y819 HydrophobicContact CG-CG 3.8Å
455P74.2Confident84.1Confident27 Ų2733.4 Ų33.418%0.17516%0.16CC..  cis-80.2133.1-6.931.2-33.7000113E457 H458 V459P455-E457 VanDerWaalsContact C-N 3.25Å; P455-E457 PolarHBondContact O-N 3.12Å; P455-E457 VanDerWaalsContact O-N 3.15Å; P455-H458 HydrophobicContact CG-CB 4.23Å; P455-H458 PolarHBondContact O-N 3.21Å; P455-V459 PolarHBondContact O-N 2.79Å
456D75.6Confident83.8Confident56 Ų5634.7 Ų34.730%0.29917%0.168SC..Hα-helixtrans-57-35-171.1-44.736.2000113.3V459 Q460 Q822D456-V459 PolarHBondContact O-N 3.42Å; D456-Q460 WeakPolarHBondContact O-CB 3.25Å; D456-Q460 VanDerWaalsContact O-CG 3.3Å; D456-Q460 WeakPolarHBondContact O-CG 3.48Å; D456-Q460 PolarHBondContact O-N 2.77Å; D456-Q460 PolarHBondContact O-NE2 3.46Å; D456-Q460 VanDerWaalsContact O-NE2 3.15Å; D456-Q822 VanDerWaalsContact CG-NE2 3.26Å; D456-Q822 PolarHBondContact OD1-NE2 3.06Å; D456-Q822 PolarHBondContact OD2-NE2 3.05Å; D456-Q822 VanDerWaalsContact OD2-NE2 3.14Å
457E76.2Confident83.4Confident109 Ų10939.9 Ų39.951%0.50920%0.195SC..Hα-helixtrans-60.1-45.6178.9-65.5179.8175.100110P455 M461 R827P455-E457 VanDerWaalsContact C-N 3.25Å; P455-E457 PolarHBondContact O-N 3.12Å; P455-E457 VanDerWaalsContact O-N 3.15Å; E457-M461 WeakPolarHBondContact O-CB 3.1Å; E457-M461 WeakPolarHBondContact O-CG 3.44Å; E457-M461 PolarHBondContact O-N 3.2Å; E457-R827 IonicContact OE1-CZ 3.17Å; E457-R827 IonicContact OE1-NH1 2.69Å; E457-R827 PolarHBondContact OE1-NH1 3Å; E457-R827 IonicContact OE1-NH2 2.85Å; E457-R827 PolarHBondContact OE1-NH2 3.23Å
458H80.9Confident83.1Confident76 Ų7644.9 Ų44.935%0.35222%0.218SC..Hα-helixtrans-73.4-32.2177.5-75-86.9000113.3L395 Y423 P455 F462L395-H458 HydrophobicContact CD2-CB 4.22Å; Y423-H458 AromaticContact CE1-ND1 3.95Å; P455-H458 HydrophobicContact CG-CB 4.23Å; P455-H458 PolarHBondContact O-N 3.21Å; H458-F462 PolarHBondContact O-N 3.04Å
459V84.3Confident82.9Confident1 Ų144.5 Ų44.51%0.00622%0.216CC..Hα-helixtrans-64-50.7174176.60000109.9L395 I450 L453 P455 D456 M461 F462 I485L395-V459 HydrophobicContact CB-CG2 4.33Å; L395-V459 HydrophobicContact CD2-CG2 4.12Å; I450-V459 HydrophobicContact CD1-CG1 4.01Å; I450-V459 HydrophobicContact CG1-CG1 3.89Å; I450-V459 HydrophobicContact CG2-CG1 4.49Å; L453-V459 HydrophobicContact CB-CG2 3.73Å; P455-V459 PolarHBondContact O-N 2.79Å; D456-V459 PolarHBondContact O-N 3.42Å; V459-M461 VanDerWaalsContact C-N 3.31Å; V459-M461 PolarHBondContact O-N 3.06Å; V459-F462 WeakPolarHBondContact O-CD2 3.42Å; V459-F462 WeakPolarHBondContact O-CE2 3.34Å; V459-F462 PolarHBondContact O-N 2.84Å; V459-I485 HydrophobicContact CG1-CD1 4.26Å
460Q85.7Confident82.7Confident59 Ų5946.7 Ų46.728%0.27623%0.231SC..Hα-helixtrans-64.2-30.5178.6-74.5166.96800113.5D456 F462 I485 G488D456-Q460 WeakPolarHBondContact O-CB 3.25Å; D456-Q460 VanDerWaalsContact O-CG 3.3Å; D456-Q460 WeakPolarHBondContact O-CG 3.48Å; D456-Q460 PolarHBondContact O-N 2.77Å; D456-Q460 PolarHBondContact O-NE2 3.46Å; D456-Q460 VanDerWaalsContact O-NE2 3.15Å; Q460-F462 WeakPolarHBondContact O-CD2 3.33Å; Q460-I485 HydrophobicContact CG-CG1 3.96Å; Q460-G488 CarbonylContact O-C 3.29Å; Q460-G488 VanDerWaalsContact O-CA 3.24Å; Q460-G488 WeakPolarHBondContact O-CA 3.36Å
461M84.5Confident82.4Confident98 Ų9848.4 Ų48.448%0.48324%0.24SC..Hα-helixtrans-79.2-15.1179.3-73.6176.875.200114.1E457 V459 Q463E457-M461 WeakPolarHBondContact O-CB 3.1Å; E457-M461 WeakPolarHBondContact O-CG 3.44Å; E457-M461 PolarHBondContact O-N 3.2Å; V459-M461 VanDerWaalsContact C-N 3.31Å; V459-M461 PolarHBondContact O-N 3.06Å; M461-Q463 HydrophobicContact CB-CG 4.32Å; M461-Q463 PolarHBondContact O-N 3.47Å
462F86.9Confident82.5Confident0 Ų049.7 Ų49.70%025%0.247CC..  trans544.1179.1-71.9-78.6000118.2I450 H458 V459 Q460 W464 L465 I478 I485 F489 H492 F493I450-F462 HydrophobicContact CD1-CE1 4.23Å; H458-F462 PolarHBondContact O-N 3.04Å; V459-F462 WeakPolarHBondContact O-CD2 3.42Å; V459-F462 WeakPolarHBondContact O-CE2 3.34Å; V459-F462 PolarHBondContact O-N 2.84Å; Q460-F462 WeakPolarHBondContact O-CD2 3.33Å; F462-W464 AromaticContact CD1-CZ2 3.91Å; F462-W464 HydrophobicContact CD1-CZ2 3.91Å; F462-W464 HydrophobicContact CE1-CZ2 4.05Å; F462-W464 PolarHBondContact O-N 3.29Å; F462-L465 HydrophobicContact CD1-CD1 4.28Å; F462-L465 PolarHBondContact O-N 3.03Å; F462-I478 HydrophobicContact CD1-CD1 4.34Å; F462-I478 HydrophobicContact CE1-CD1 3.68Å; F462-I485 HydrophobicContact CE2-CG2 3.79Å; F462-I485 HydrophobicContact CZ-CG2 3.53Å; F462-F489 HydrophobicContact CD1-CD2 4.12Å; F462-F489 HydrophobicContact CD2-CB 4.01Å; F462-F489 HydrophobicContact CD2-CD2 4.07Å; F462-F489 AromaticContact CE1-CD2 3.89Å; F462-F489 HydrophobicContact CE1-CD2 3.89Å; F462-F489 HydrophobicContact CE2-CB 3.57Å; F462-F489 AromaticContact CE2-CD2 3.84Å; F462-F489 HydrophobicContact CE2-CD2 3.84Å; F462-F489 HydrophobicContact CE2-CG 4.21Å; F462-F489 HydrophobicContact CG-CD2 4.2Å; F462-F489 HydrophobicContact CZ-CB 4.13Å; F462-F489 AromaticContact CZ-CD2 3.74Å; F462-F489 HydrophobicContact CZ-CD2 3.74Å; F462-F489 HydrophobicContact CZ-CG 4.4Å; F462-H492 HydrophobicContact CB-CB 4.48Å; F462-F493 HydrophobicContact CB-CE2 3.86Å; F462-F493 HydrophobicContact CB-CZ 4.36Å; F462-F493 HydrophobicContact CD1-CE2 4.4Å; F462-F493 HydrophobicContact CG-CE2 4.14Å
463Q84.4Confident82.7Confident119 Ų11950.1 Ų50.156%0.55625%0.248SC*.THydrogen-bonded Turntrans-60-7.1-179.1-68.4-179.8-24.400115.9M461 L465M461-Q463 HydrophobicContact CB-CG 4.32Å; M461-Q463 PolarHBondContact O-N 3.47Å; Q463-L465 VanDerWaalsContact C-N 3.34Å
464W86.9Confident83Confident4 Ų450 Ų502%0.01525%0.247CC..THydrogen-bonded Turntrans-81.2-15.9171.554.7-84.7000113.1L395 L399 Y423 V427 I447 I450 F462 I478L395-W464 HydrophobicContact CD1-CD2 3.92Å; L395-W464 HydrophobicContact CD1-CE3 4.28Å; L395-W464 HydrophobicContact CD1-CG 4.28Å; L395-W464 HydrophobicContact CD1-CZ2 4.27Å; L395-W464 HydrophobicContact CD2-CB 4.5Å; L395-W464 HydrophobicContact CD2-CD2 4.43Å; L395-W464 HydrophobicContact CD2-CG 3.95Å; L399-W464 HydrophobicContact CD1-CB 4.42Å; L399-W464 HydrophobicContact CD2-CE3 3.8Å; L399-W464 HydrophobicContact CD2-CZ3 4.4Å; Y423-W464 WeakPolarHBondContact OH-CB 3.41Å; V427-W464 HydrophobicContact CG2-CB 3.7Å; I447-W464 HydrophobicContact CD1-CH2 3.8Å; I447-W464 HydrophobicContact CD1-CZ3 4.16Å; I450-W464 HydrophobicContact CD1-CH2 4.21Å; I450-W464 HydrophobicContact CD1-CZ2 3.77Å; F462-W464 AromaticContact CD1-CZ2 3.91Å; F462-W464 HydrophobicContact CD1-CZ2 3.91Å; F462-W464 HydrophobicContact CE1-CZ2 4.05Å; F462-W464 PolarHBondContact O-N 3.29Å; W464-I478 HydrophobicContact CH2-CD1 4.2Å; W464-I478 HydrophobicContact CZ2-CD1 4.37Å
465L87.6Confident83.8Confident6 Ų650.5 Ų50.53%0.03125%0.249CC..SBendtrans-95.3149.8165.9-66.7179.6000110P328 F462 Q463 L476 I478 F493P328-L465 HydrophobicContact CB-CD1 4.21Å; P328-L465 HydrophobicContact CG-CD1 4.18Å; F462-L465 HydrophobicContact CD1-CD1 4.28Å; F462-L465 PolarHBondContact O-N 3.03Å; Q463-L465 VanDerWaalsContact C-N 3.34Å; L465-L476 HydrophobicContact CD1-CD2 3.89Å; L465-L476 HydrophobicContact CD2-CD1 3.63Å; L465-L476 HydrophobicContact CD2-CD2 4.4Å; L465-I478 HydrophobicContact CD1-CD1 4.12Å; L465-F493 HydrophobicContact CB-CZ 4.1Å; L465-F493 HydrophobicContact CD1-CZ 4.28Å
466P84.5Confident84.6Confident28 Ų2849.3 Ų49.318%0.18224%0.241CC..  trans-76.9148.4168.835.3-34.3000110N431 E468 L469N431-P466 WeakPolarHBondContact OD1-CD 3.2Å; N431-P466 WeakPolarHBondContact OD1-CG 3.5Å; P466-E468 VanDerWaalsContact C-N 3.25Å; P466-E468 VanDerWaalsContact CB-O 3.31Å; P466-E468 WeakPolarHBondContact CB-O 3.29Å; P466-E468 WeakPolarHBondContact CG-O 3.48Å; P466-E468 PolarHBondContact O-N 3.37Å; P466-L469 HydrophobicContact CG-CD2 4.42Å
467I83.7Confident85.4Confident111 Ų11146.7 Ų46.757%0.56923%0.228SC*.SBendtrans-57.8-39.8-179.2-60.5168.5000111.1L327L327-I467 WeakPolarHBondContact CD2-O 3.42Å
468E83.9Confident86.1Confident106 Ų10641.5 Ų41.550%0.49520%0.203SC..SBendtrans-115.4132.9161.8-70.3-175.6-169.100109.3K326 P466K326-E468 HydrophobicContact CB-CB 4.17Å; K326-E468 HydrophobicContact CB-CG 4.45Å; K326-E468 HydrophobicContact CD-CB 4.13Å; K326-E468 HydrophobicContact CD-CG 4.4Å; K326-E468 WeakPolarHBondContact CD-OE2 3.4Å; K326-E468 WeakPolarHBondContact CE-OE2 3.48Å; K326-E468 IonicContact NZ-OE2 2.95Å; K326-E468 PolarHBondContact NZ-OE2 3.15Å; P466-E468 VanDerWaalsContact C-N 3.25Å; P466-E468 VanDerWaalsContact CB-O 3.31Å; P466-E468 WeakPolarHBondContact CB-O 3.29Å; P466-E468 WeakPolarHBondContact CG-O 3.48Å; P466-E468 PolarHBondContact O-N 3.37Å
469L86.8Confident86.6Confident1 Ų137.9 Ų37.91%0.00519%0.187CC..  trans-57.4134.9167-63.1170.1000109.3K326 P466 N471 I474 L476K326-L469 WeakPolarHBondContact O-CB 3.08Å; K326-L469 WeakPolarHBondContact O-CG 3.37Å; K326-L469 PolarHBondContact O-N 3.48Å; P466-L469 HydrophobicContact CG-CD2 4.42Å; L469-N471 PolarHBondContact O-N 2.6Å; L469-I474 HydrophobicContact CB-CB 4.43Å; L469-I474 HydrophobicContact CB-CD1 4.47Å; L469-I474 HydrophobicContact CD1-CB 4.4Å; L469-I474 HydrophobicContact CD1-CG2 4.15Å; L469-I474 HydrophobicContact CD2-CG2 4.24Å; L469-L476 HydrophobicContact CD1-CB 4.37Å
470P83.1Confident86.9Confident65 Ų6537.9 Ų37.942%0.42219%0.186SC..SBendtrans-67.7-14.4-166.224.5-34.2000114.6L434 I474L434-P470 HydrophobicContact CB-CG 3.82Å; P470-I474 HydrophobicContact CG-CD1 3.7Å
471N82.9Confident86.8Confident36 Ų3636.8 Ų36.819%0.19318%0.183CC..SBendtrans-147.8143.3178.7-158.5-21000111.4A437 L469 Y473 I474A437-N471 HydrophobicContact CB-CB 4.49Å; A437-N471 PolarHBondContact O-ND2 3.41Å; L469-N471 PolarHBondContact O-N 2.6Å; N471-Y473 PolarHBondContact O-N 2.84Å; N471-Y473 VanDerWaalsContact O-N 3.13Å; N471-Y473 VanDerWaalsContact OD1-CD2 3.28Å; N471-Y473 WeakPolarHBondContact OD1-CD2 3.34Å; N471-I474 HydrophobicContact CB-CD1 3.98Å; N471-I474 HydrophobicContact CB-CG1 4.34Å; N471-I474 WeakPolarHBondContact O-CB 3.27Å; N471-I474 WeakPolarHBondContact O-CG1 3.14Å; N471-I474 PolarHBondContact O-N 3.06Å; N471-I474 VanDerWaalsContact O-N 3.16Å
472H83.9Confident86.9Confident66 Ų6633.6 Ų33.631%0.30617%0.17SC..THydrogen-bonded Turntrans-72.52.7177.959.6-83.7000113.9I474 R475H472-I474 VanDerWaalsContact C-N 3.35Å; H472-R475 PolarHBondContact O-NH1 3.43Å; H472-R475 PolarHBondContact O-NH2 3.49Å
473Y85.4Confident86.7Confident77 Ų7738.4 Ų38.430%0.30219%0.192SC..THydrogen-bonded Turntrans-89.67.4166.8-56.1-63.6000114P439 P442 I443 N471P439-Y473 HydrophobicContact CB-CD1 4.26Å; P439-Y473 HydrophobicContact CB-CE1 3.71Å; P439-Y473 HydrophobicContact CB-CE2 4.32Å; P439-Y473 HydrophobicContact CG-CE2 4.34Å; P442-Y473 WeakPolarHBondContact CA-O 3.43Å; I443-Y473 PolarHBondContact N-O 3.32Å; N471-Y473 PolarHBondContact O-N 2.84Å; N471-Y473 VanDerWaalsContact O-N 3.13Å; N471-Y473 VanDerWaalsContact OD1-CD2 3.28Å; N471-Y473 WeakPolarHBondContact OD1-CD2 3.34Å
474I89.1Confident86.7Confident0 Ų039.4 Ų39.40%020%0.195CC..EExtended strand (participates in β ladder)trans-110.7127.3179.6-51.9160.7000109.7L434 A437 I443 L469 P470 N471 H472L434-I474 HydrophobicContact CB-CD1 4.02Å; L434-I474 HydrophobicContact CD2-CD1 4.45Å; L434-I474 HydrophobicContact CD2-CG2 4.02Å; L434-I474 WeakPolarHBondContact O-CD1 3.36Å; A437-I474 HydrophobicContact CB-CD1 4.03Å; A437-I474 HydrophobicContact CB-CG1 3.43Å; A437-I474 VanDerWaalsContact CB-CG1 3.43Å; I443-I474 CarbonylContact O-C 3.58Å; I443-I474 WeakPolarHBondContact O-CA 3.4Å; L469-I474 HydrophobicContact CB-CB 4.43Å; L469-I474 HydrophobicContact CB-CD1 4.47Å; L469-I474 HydrophobicContact CD1-CB 4.4Å; L469-I474 HydrophobicContact CD1-CG2 4.15Å; L469-I474 HydrophobicContact CD2-CG2 4.24Å; P470-I474 HydrophobicContact CG-CD1 3.7Å; N471-I474 HydrophobicContact CB-CD1 3.98Å; N471-I474 HydrophobicContact CB-CG1 4.34Å; N471-I474 WeakPolarHBondContact O-CB 3.27Å; N471-I474 WeakPolarHBondContact O-CG1 3.14Å; N471-I474 PolarHBondContact O-N 3.06Å; N471-I474 VanDerWaalsContact O-N 3.16Å; H472-I474 VanDerWaalsContact C-N 3.35Å
475R89.4Confident86.7Confident15 Ų1539.5 Ų39.56%0.05720%0.195CC..EExtended strand (participates in β ladder)trans-118.8136167.6-64.7-65.1169.5-65.1-13.7109.1Y320 L321 S323 I443 L444 I445 H472Y320-R475 HydrophobicContact CE1-CB 3.99Å; Y320-R475 HydrophobicContact CE1-CG 4.24Å; Y320-R475 PolarHBondContact O-NE 3.24Å; L321-R475 HydrophobicContact CD2-CB 4.05Å; L321-R475 HydrophobicContact CD2-CG 3.98Å; L321-R475 PolarHBondContact O-NE 3.25Å; S323-R475 PolarHBondContact O-NH2 3.48Å; I443-R475 PolarHBondContact O-N 3.11Å; L444-R475 WeakPolarHBondContact CA-O 3.25Å; L444-R475 HydrophobicContact CD1-CB 3.69Å; I445-R475 PolarHBondContact N-O 3.23Å; H472-R475 PolarHBondContact O-NH1 3.43Å; H472-R475 PolarHBondContact O-NH2 3.49Å
476L91.4Very high86.6Confident2 Ų240.3 Ų40.31%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-133.8118.5178.8-169.6147.5000109Y320 P328 G329 I445 L465 L469 I478Y320-L476 PolarHBondContact OH-N 2.91Å; Y320-L476 PolarHBondContact OH-O 3.48Å; P328-L476 WeakPolarHBondContact CA-O 3.4Å; P328-L476 HydrophobicContact CB-CB 4.4Å; P328-L476 HydrophobicContact CB-CD2 3.89Å; G329-L476 PolarHBondContact N-O 3.31Å; I445-L476 HydrophobicContact CB-CD1 4.08Å; I445-L476 HydrophobicContact CB-CG 4.15Å; I445-L476 HydrophobicContact CD1-CD1 4.34Å; I445-L476 HydrophobicContact CG2-CD1 4.14Å; I445-L476 HydrophobicContact CG2-CG 4.37Å; I445-L476 WeakPolarHBondContact O-CA 3.49Å; L465-L476 HydrophobicContact CD1-CD2 3.89Å; L465-L476 HydrophobicContact CD2-CD1 3.63Å; L465-L476 HydrophobicContact CD2-CD2 4.4Å; L469-L476 HydrophobicContact CD1-CB 4.37Å; L476-I478 HydrophobicContact CD2-CD1 3.7Å; L476-I478 HydrophobicContact CD2-CG1 3.53Å
477L91.1Very high86.7Confident2 Ų245.3 Ų45.31%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-122.2134179.1-69.7173.9000110.5I317 Y320 G329 L343 T346 I445 L446 I447I317-L477 HydrophobicContact CG2-CD1 4.41Å; Y320-L477 HydrophobicContact CD1-CD1 4.28Å; Y320-L477 HydrophobicContact CD1-CD2 3.74Å; Y320-L477 HydrophobicContact CD1-CG 4.14Å; Y320-L477 HydrophobicContact CE1-CD1 4.37Å; Y320-L477 HydrophobicContact CE1-CD2 3.55Å; Y320-L477 HydrophobicContact CE1-CG 3.8Å; G329-L477 WeakPolarHBondContact O-CA 3.49Å; L343-L477 HydrophobicContact CD2-CB 4.43Å; T346-L477 HydrophobicContact CG2-CD1 3.64Å; I445-L477 PolarHBondContact O-N 3.38Å; L446-L477 WeakPolarHBondContact CA-O 3.22Å; L446-L477 HydrophobicContact CD2-CB 3.76Å; L446-L477 HydrophobicContact CD2-CD1 4.33Å; L446-L477 HydrophobicContact CD2-CG 4.48Å; I447-L477 PolarHBondContact N-O 2.83Å
478I92.7Very high86.8Confident0 Ų040.8 Ų40.80%020%0.199CC..EExtended strand (participates in β ladder)trans-122139.2-176.6-51.5-178.7000107.8G329 L330 I331 I447 I450 F462 W464 L465 L476G329-I478 PolarHBondContact O-N 3.32Å; L330-I478 CarbonylContact C-O 3.55Å; L330-I478 WeakPolarHBondContact CA-O 3.24Å; L330-I478 HydrophobicContact CD1-CB 3.84Å; L330-I478 HydrophobicContact CD1-CG2 3.79Å; I331-I478 PolarHBondContact N-O 3.27Å; I447-I478 HydrophobicContact CB-CG1 4.44Å; I447-I478 HydrophobicContact CB-CG2 4.49Å; I447-I478 HydrophobicContact CG2-CG2 4.4Å; I447-I478 CarbonylContact O-C 3.58Å; I447-I478 WeakPolarHBondContact O-CA 3.43Å; I450-I478 HydrophobicContact CB-CG2 3.6Å; I450-I478 HydrophobicContact CD1-CD1 4.17Å; I450-I478 HydrophobicContact CD1-CG2 3.54Å; I450-I478 HydrophobicContact CG1-CG2 4.08Å; I450-I478 HydrophobicContact CG2-CG2 3.61Å; F462-I478 HydrophobicContact CD1-CD1 4.34Å; F462-I478 HydrophobicContact CE1-CD1 3.68Å; W464-I478 HydrophobicContact CH2-CD1 4.2Å; W464-I478 HydrophobicContact CZ2-CD1 4.37Å; L465-I478 HydrophobicContact CD1-CD1 4.12Å; L476-I478 HydrophobicContact CD2-CD1 3.7Å; L476-I478 HydrophobicContact CD2-CG1 3.53Å
479T90.9Very high87Confident0 Ų035.8 Ų35.80%018%0.176CC..EExtended strand (participates in β ladder)trans-108.2153.1168.467.30000111.3I331 K339 L343 I447 D448 D449 I450I331-T479 HydrophobicContact CB-CG2 4.09Å; I331-T479 HydrophobicContact CD1-CG2 4.44Å; I331-T479 CarbonylContact O-C 3.52Å; I331-T479 VanDerWaalsContact O-CA 3.26Å; I331-T479 WeakPolarHBondContact O-CA 3.49Å; K339-T479 HydrophobicContact CB-CG2 3.93Å; L343-T479 HydrophobicContact CD1-CG2 3.62Å; L343-T479 HydrophobicContact CD2-CG2 3.84Å; L343-T479 HydrophobicContact CG-CG2 3.63Å; I447-T479 PolarHBondContact O-N 3.29Å; D448-T479 VanDerWaalsContact CA-OG1 3.28Å; D448-T479 WeakPolarHBondContact CA-OG1 3.44Å; D448-T479 WeakPolarHBondContact OD1-CB 3.36Å; D448-T479 WeakPolarHBondContact OD1-CG2 3.43Å; D448-T479 PolarHBondContact OD1-OG1 3.03Å; D449-T479 PolarHBondContact N-OG1 2.91Å; I450-T479 WeakPolarHBondContact CG2-O 3.18Å; I450-T479 PolarHBondContact N-O 3.48Å
480T90.1Very high87Confident0 Ų037.2 Ų37.20%018%0.183CC..EExtended strand (participates in β ladder)trans-152.3147.9173.5-173.40000114L330 I331 Y332 G333 K339 E451 S482 I485L330-T480 HydrophobicContact CD1-CG2 3.72Å; L330-T480 HydrophobicContact CD2-CG2 4.03Å; L330-T480 HydrophobicContact CG-CG2 4.05Å; I331-T480 PolarHBondContact O-N 2.96Å; Y332-T480 WeakPolarHBondContact CA-O 3.24Å; Y332-T480 HydrophobicContact CD2-CG2 4.09Å; G333-T480 PolarHBondContact N-O 3.01Å; G333-T480 VanDerWaalsContact N-O 3.1Å; K339-T480 WeakPolarHBondContact CE-O 3.1Å; E451-T480 WeakPolarHBondContact OE2-CA 3.32Å; E451-T480 WeakPolarHBondContact OE2-CB 3.12Å; E451-T480 PolarHBondContact OE2-OG1 2.64Å; T480-S482 PolarHBondContact OG1-N 2.92Å; T480-I485 HydrophobicContact CG2-CB 4.4Å; T480-I485 HydrophobicContact CG2-CG2 4.32Å
481N83.8Confident87.1Confident37 Ų3743.1 Ų43.120%0.19820%0.203CC..SBendtrans-93.8-1.8165.1-58.7-91000112.7G333 P335 K339 D449 E451G333-N481 WeakPolarHBondContact O-CA 3.49Å; G333-N481 PolarHBondContact O-OD1 2.98Å; P335-N481 VanDerWaalsContact CA-OD1 3.25Å; P335-N481 WeakPolarHBondContact CA-OD1 3.15Å; K339-N481 VanDerWaalsContact NZ-CG 3.29Å; K339-N481 PolarHBondContact NZ-OD1 3.48Å; D449-N481 PolarHBondContact OD1-ND2 2.96Å; E451-N481 VanDerWaalsContact CD-N 3.29Å; E451-N481 WeakPolarHBondContact OE1-CB 3.28Å; E451-N481 PolarHBondContact OE1-N 3.32Å; E451-N481 PolarHBondContact OE1-ND2 2.78Å; E451-N481 PolarHBondContact OE2-N 3.43Å; E451-N481 VanDerWaalsContact OE2-N 3.14Å
482S85.5Confident87.2Confident31 Ų3144 Ų4422%0.21721%0.205CC..  trans-110.2117.6-165.7-176.70000114.7T480 K484 I485 I486T480-S482 PolarHBondContact OG1-N 2.92Å; S482-K484 PolarHBondContact O-N 3.46Å; S482-I485 PolarHBondContact O-N 3.32Å; S482-I485 VanDerWaalsContact O-N 3.07Å; S482-I486 PolarHBondContact O-N 3.05Å
483E82.9Confident87.4Confident101 Ų10141.8 Ų41.847%0.47220%0.195SC..Hα-helixtrans-57.5-30.7173.5-76.2-167.6-161.200114.3Y332 I485 I486 K487Y332-E483 HydrophobicContact CE2-CG 4.48Å; E483-I485 PolarHBondContact O-N 3.19Å; E483-I486 HydrophobicContact CB-CD1 4.49Å; E483-I486 HydrophobicContact CG-CD1 4.37Å; E483-I486 PolarHBondContact O-N 3.33Å; E483-K487 WeakPolarHBondContact O-CG 3.23Å; E483-K487 PolarHBondContact O-N 2.79Å; E483-K487 VanDerWaalsContact O-N 3.09Å; E483-K487 IonicContact OE2-NZ 3.04Å; E483-K487 PolarHBondContact OE2-NZ 2.81Å
484K85.2Confident87.2Confident140 Ų14039.6 Ų39.661%0.60920%0.196SC*.Hα-helixtrans-61.7-36.5178.9-62.7178.6-177.9173.70110.5S482 K487 G488S482-K484 PolarHBondContact O-N 3.46Å; K484-K487 PolarHBondContact O-N 3.29Å; K484-G488 PolarHBondContact O-N 3.3Å; K484-G488 VanDerWaalsContact O-N 3.12Å
485I87.2Confident86.6Confident5 Ų545.6 Ų45.63%0.02623%0.228CC..Hα-helixtrans-74.3-37.4-179.2-59.5-171.9000110.6I450 E451 V459 Q460 F462 T480 S482 E483 K487 G488 F489I450-I485 HydrophobicContact CG2-CD1 3.83Å; I450-I485 HydrophobicContact CG2-CG2 3.94Å; E451-I485 HydrophobicContact CB-CD1 3.66Å; V459-I485 HydrophobicContact CG1-CD1 4.26Å; Q460-I485 HydrophobicContact CG-CG1 3.96Å; F462-I485 HydrophobicContact CE2-CG2 3.79Å; F462-I485 HydrophobicContact CZ-CG2 3.53Å; T480-I485 HydrophobicContact CG2-CB 4.4Å; T480-I485 HydrophobicContact CG2-CG2 4.32Å; S482-I485 PolarHBondContact O-N 3.32Å; S482-I485 VanDerWaalsContact O-N 3.07Å; E483-I485 PolarHBondContact O-N 3.19Å; I485-K487 PolarHBondContact O-N 3.2Å; I485-G488 PolarHBondContact O-N 3.32Å; I485-F489 VanDerWaalsContact O-CB 3.25Å; I485-F489 WeakPolarHBondContact O-CB 2.73Å; I485-F489 PolarHBondContact O-N 2.9Å
486I85.7Confident86Confident24 Ų2448.8 Ų48.812%0.12327%0.266CS..Hα-helixtrans-57.1-49.5169.5-43.3169.4000110.6Y332 S482 E483 G488 F489 N490 C498Y332-I486 HydrophobicContact CD1-CD1 3.36Å; Y332-I486 HydrophobicContact CD1-CG1 4.29Å; Y332-I486 HydrophobicContact CD2-CD1 3.57Å; Y332-I486 HydrophobicContact CD2-CG1 3.89Å; Y332-I486 HydrophobicContact CE1-CD1 3.62Å; Y332-I486 HydrophobicContact CE2-CD1 3.82Å; Y332-I486 HydrophobicContact CE2-CG1 4.47Å; Y332-I486 HydrophobicContact CG-CD1 3.32Å; Y332-I486 HydrophobicContact CG-CG1 3.77Å; S482-I486 PolarHBondContact O-N 3.05Å; E483-I486 HydrophobicContact CB-CD1 4.49Å; E483-I486 HydrophobicContact CG-CD1 4.37Å; E483-I486 PolarHBondContact O-N 3.33Å; I486-G488 VanDerWaalsContact C-N 3.25Å; I486-G488 PolarHBondContact O-N 3.49Å; I486-F489 PolarHBondContact O-N 2.86Å; I486-F489 VanDerWaalsContact O-N 3.14Å; I486-N490 WeakPolarHBondContact O-CB 3.26Å; I486-N490 PolarHBondContact O-N 3.46Å; I486-N490 PolarHBondContact O-OD1 2.96Å; I486-C498 HydrophobicContact CG2-CB 4.49Å
487K86.3Confident85.5Confident133 Ų13349.8 Ų49.858%0.57827%0.272SS*.Hα-helixtrans-62.7-32.9-176.8-70.7162.9-171.7161.50111.9E483 K484 I485 K491E483-K487 WeakPolarHBondContact O-CG 3.23Å; E483-K487 PolarHBondContact O-N 2.79Å; E483-K487 VanDerWaalsContact O-N 3.09Å; E483-K487 IonicContact OE2-NZ 3.04Å; E483-K487 PolarHBondContact OE2-NZ 2.81Å; K484-K487 PolarHBondContact O-N 3.29Å; I485-K487 PolarHBondContact O-N 3.2Å; K487-K491 VanDerWaalsContact O-CB 3.28Å; K487-K491 WeakPolarHBondContact O-CB 3.24Å; K487-K491 PolarHBondContact O-N 2.88Å
488G85.4Confident85.2Confident16 Ų1651 Ų5117%0.16528%0.281CS..Hα-helixtrans-72.1-46.8170.200000113.7Q460 K484 I485 I486 K491 H492Q460-G488 CarbonylContact O-C 3.29Å; Q460-G488 VanDerWaalsContact O-CA 3.24Å; Q460-G488 WeakPolarHBondContact O-CA 3.36Å; K484-G488 PolarHBondContact O-N 3.3Å; K484-G488 VanDerWaalsContact O-N 3.12Å; I485-G488 PolarHBondContact O-N 3.32Å; I486-G488 VanDerWaalsContact C-N 3.25Å; I486-G488 PolarHBondContact O-N 3.49Å; G488-K491 WeakPolarHBondContact O-CB 3.19Å; G488-K491 PolarHBondContact O-N 2.85Å; G488-H492 PolarHBondContact O-N 3.35Å
489F88.8Confident84.8Confident0 Ų052 Ų520%029%0.286CS..Hα-helixtrans-63.4-50.6-178.5-172.1-97.3000112.5P328 L330 F462 I485 I486 K491 H492 F493 C497P328-F489 HydrophobicContact CB-CE2 4.37Å; P328-F489 HydrophobicContact CB-CZ 4.43Å; P328-F489 HydrophobicContact CG-CE2 4.01Å; P328-F489 HydrophobicContact CG-CZ 4.12Å; L330-F489 HydrophobicContact CB-CD1 3.63Å; L330-F489 HydrophobicContact CB-CD2 4.17Å; L330-F489 HydrophobicContact CB-CE1 3.46Å; L330-F489 VanDerWaalsContact CB-CE1 3.46Å; L330-F489 HydrophobicContact CB-CE2 4.04Å; L330-F489 HydrophobicContact CB-CG 3.98Å; L330-F489 HydrophobicContact CB-CZ 3.69Å; L330-F489 HydrophobicContact CD2-CB 3.73Å; L330-F489 HydrophobicContact CD2-CD1 3.83Å; L330-F489 HydrophobicContact CD2-CD2 4.36Å; L330-F489 HydrophobicContact CD2-CG 3.72Å; L330-F489 HydrophobicContact CG-CD1 4.36Å; L330-F489 HydrophobicContact CG-CG 4.39Å; F462-F489 HydrophobicContact CD1-CD2 4.12Å; F462-F489 HydrophobicContact CD2-CB 4.01Å; F462-F489 HydrophobicContact CD2-CD2 4.07Å; F462-F489 AromaticContact CE1-CD2 3.89Å; F462-F489 HydrophobicContact CE1-CD2 3.89Å; F462-F489 HydrophobicContact CE2-CB 3.57Å; F462-F489 AromaticContact CE2-CD2 3.84Å; F462-F489 HydrophobicContact CE2-CD2 3.84Å; F462-F489 HydrophobicContact CE2-CG 4.21Å; F462-F489 HydrophobicContact CG-CD2 4.2Å; F462-F489 HydrophobicContact CZ-CB 4.13Å; F462-F489 AromaticContact CZ-CD2 3.74Å; F462-F489 HydrophobicContact CZ-CD2 3.74Å; F462-F489 HydrophobicContact CZ-CG 4.4Å; I485-F489 VanDerWaalsContact O-CB 3.25Å; I485-F489 WeakPolarHBondContact O-CB 2.73Å; I485-F489 PolarHBondContact O-N 2.9Å; I486-F489 PolarHBondContact O-N 2.86Å; I486-F489 VanDerWaalsContact O-N 3.14Å; F489-K491 PolarHBondContact O-N 2.81Å; F489-H492 PolarHBondContact O-N 3.39Å; F489-F493 HydrophobicContact CD1-CD2 4.4Å; F489-F493 AromaticContact CD2-CD2 3.58Å; F489-F493 HydrophobicContact CD2-CD2 3.58Å; F489-F493 AromaticContact CD2-CE2 3.8Å; F489-F493 HydrophobicContact CD2-CE2 3.8Å; F489-F493 HydrophobicContact CE1-CD2 4.28Å; F489-F493 AromaticContact CE2-CD2 3.43Å; F489-F493 HydrophobicContact CE2-CD2 3.43Å; F489-F493 VanDerWaalsContact CE2-CD2 3.43Å; F489-F493 AromaticContact CE2-CE2 3.65Å; F489-F493 HydrophobicContact CE2-CE2 3.65Å; F489-F493 HydrophobicContact CE2-CG 4.43Å; F489-F493 HydrophobicContact CG-CD2 4.07Å; F489-F493 AromaticContact CZ-CD2 3.8Å; F489-F493 HydrophobicContact CZ-CD2 3.8Å; F489-F493 HydrophobicContact CZ-CE2 4.4Å; F489-F493 HydrophobicContact CZ-CG 4.43Å; F489-F493 PolarHBondContact O-N 3.04Å; F489-C497 HydrophobicContact CE1-CB 3.52Å; F489-C497 HydrophobicContact CZ-CB 4.07Å
490N86.9Confident84.3Confident31 Ų3155.2 Ų55.217%0.16630%0.303CS..Hα-helixtrans-63.5-30.9178-67.622.3000111.6I486 H492 G494 D495I486-N490 WeakPolarHBondContact O-CB 3.26Å; I486-N490 PolarHBondContact O-N 3.46Å; I486-N490 PolarHBondContact O-OD1 2.96Å; N490-H492 VanDerWaalsContact C-N 3.29Å; N490-H492 PolarHBondContact O-N 3.17Å; N490-G494 CarbonylContact O-C 3.59Å; N490-G494 WeakPolarHBondContact O-CA 3.39Å; N490-G494 PolarHBondContact O-N 3.45Å; N490-D495 WeakPolarHBondContact CB-OD1 3.38Å; N490-D495 PolarHBondContact ND2-OD1 3.35Å
491K84.6Confident83.6Confident190 Ų19055.6 Ų55.683%0.82631%0.305SS*.Hα-helixtrans-68.8-25.2172.7-177.9179.9177.1-174.40112.9K487 G488 F489K487-K491 VanDerWaalsContact O-CB 3.28Å; K487-K491 WeakPolarHBondContact O-CB 3.24Å; K487-K491 PolarHBondContact O-N 2.88Å; G488-K491 WeakPolarHBondContact O-CB 3.19Å; G488-K491 PolarHBondContact O-N 2.85Å; F489-K491 PolarHBondContact O-N 2.81Å
492H85.6Confident82.6Confident54 Ų5458.1 Ų58.125%0.2532%0.318CS..Hα-helixtrans-96.5-38.9-178.8-16037.3000113.7F462 G488 F489 N490F462-H492 HydrophobicContact CB-CB 4.48Å; G488-H492 PolarHBondContact O-N 3.35Å; F489-H492 PolarHBondContact O-N 3.39Å; N490-H492 VanDerWaalsContact C-N 3.29Å; N490-H492 PolarHBondContact O-N 3.17Å
493F87.4Confident81.1Confident20 Ų2059.1 Ų59.19%0.08833%0.325CS..Hα-helixtrans-115.7-7.3-175.2-56.1-72.7000114.7L327 P328 F462 L465 F489 C497L327-F493 HydrophobicContact CD2-CD1 4.45Å; P328-F493 HydrophobicContact CG-CD1 3.82Å; P328-F493 HydrophobicContact CG-CD2 3.91Å; P328-F493 HydrophobicContact CG-CE1 3.54Å; P328-F493 HydrophobicContact CG-CE2 3.64Å; P328-F493 HydrophobicContact CG-CG 4.01Å; P328-F493 HydrophobicContact CG-CZ 3.45Å; P328-F493 VanDerWaalsContact CG-CZ 3.45Å; F462-F493 HydrophobicContact CB-CE2 3.86Å; F462-F493 HydrophobicContact CB-CZ 4.36Å; F462-F493 HydrophobicContact CD1-CE2 4.4Å; F462-F493 HydrophobicContact CG-CE2 4.14Å; L465-F493 HydrophobicContact CB-CZ 4.1Å; L465-F493 HydrophobicContact CD1-CZ 4.28Å; F489-F493 HydrophobicContact CD1-CD2 4.4Å; F489-F493 AromaticContact CD2-CD2 3.58Å; F489-F493 HydrophobicContact CD2-CD2 3.58Å; F489-F493 AromaticContact CD2-CE2 3.8Å; F489-F493 HydrophobicContact CD2-CE2 3.8Å; F489-F493 HydrophobicContact CE1-CD2 4.28Å; F489-F493 AromaticContact CE2-CD2 3.43Å; F489-F493 HydrophobicContact CE2-CD2 3.43Å; F489-F493 VanDerWaalsContact CE2-CD2 3.43Å; F489-F493 AromaticContact CE2-CE2 3.65Å; F489-F493 HydrophobicContact CE2-CE2 3.65Å; F489-F493 HydrophobicContact CE2-CG 4.43Å; F489-F493 HydrophobicContact CG-CD2 4.07Å; F489-F493 AromaticContact CZ-CD2 3.8Å; F489-F493 HydrophobicContact CZ-CD2 3.8Å; F489-F493 HydrophobicContact CZ-CE2 4.4Å; F489-F493 HydrophobicContact CZ-CG 4.43Å; F489-F493 PolarHBondContact O-N 3.04Å; F493-C497 HydrophobicContact CB-CB 4.35Å
494G82Confident79.5Confident31 Ų3161.8 Ų61.832%0.3233%0.332SS..  trans89.1158.1-17500000114N490 G496 C497N490-G494 CarbonylContact O-C 3.59Å; N490-G494 WeakPolarHBondContact O-CA 3.39Å; N490-G494 PolarHBondContact O-N 3.45Å; G494-G496 PolarHBondContact O-N 2.89Å; G494-G496 VanDerWaalsContact O-N 3.17Å; G494-C497 PolarHBondContact O-N 3.05Å
495D75.8Confident77.6Confident126 Ų12660 Ų6067%0.67433%0.328SS*.G310 helixtrans-63.2-22.6-174.7-63.6-66.5000114.6N490 C497N490-D495 WeakPolarHBondContact CB-OD1 3.38Å; N490-D495 PolarHBondContact ND2-OD1 3.35Å; D495-C497 PolarHBondContact O-N 3.07Å
496G77.1Confident75.6Confident82 Ų8268.9 Ų68.985%0.84537%0.37SS*.G310 helixtrans-69.9-11.2-17700000115.4G494G494-G496 PolarHBondContact O-N 2.89Å; G494-G496 VanDerWaalsContact O-N 3.17Å
497C80.8Confident73.8Confident23 Ų2370 Ų7016%0.15538%0.375CS..G310 helixtrans-96-1-175.1-67.40000114.4L327 L330 F489 F493 G494 D495L327-C497 WeakPolarHBondContact CD1-SG 3.17Å; L330-C497 PolarHBondContact N-O 3.38Å; F489-C497 HydrophobicContact CE1-CB 3.52Å; F489-C497 HydrophobicContact CZ-CB 4.07Å; F493-C497 HydrophobicContact CB-CB 4.35Å; G494-C497 PolarHBondContact O-N 3.05Å; D495-C497 PolarHBondContact O-N 3.07Å
498C84.3Confident71.8Confident28 Ų2866.9 Ų66.919%0.18936%0.363CS..EExtended strand (participates in β ladder)trans-106.3121-179.2-173.10000112.7L330 I486L330-C498 HydrophobicContact CB-CB 4.49Å; L330-C498 CarbonylContact O-C 3.59Å; L330-C498 WeakPolarHBondContact O-CA 3.43Å; I486-C498 HydrophobicContact CG2-CB 4.49Å
499I84.4Confident70.2Confident21 Ų2172.9 Ų72.911%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-87.2111.1167.7-54.8-179000108E313 I316 I317 L330 I331 Y332E313-I499 HydrophobicContact CB-CG2 4.02Å; E313-I499 HydrophobicContact CG-CG2 3.6Å; I316-I499 HydrophobicContact CB-CD1 4.18Å; I316-I499 HydrophobicContact CG2-CD1 3.67Å; I316-I499 HydrophobicContact CG2-CG1 4.01Å; I317-I499 HydrophobicContact CD1-CD1 4.34Å; I317-I499 HydrophobicContact CG1-CD1 3.73Å; L330-I499 PolarHBondContact O-N 3.29Å; I331-I499 CarbonylContact C-O 3.58Å; I331-I499 WeakPolarHBondContact CA-O 3.41Å; I331-I499 HydrophobicContact CG1-CB 4.48Å; I331-I499 HydrophobicContact CG1-CD1 4.41Å; Y332-I499 PolarHBondContact N-O 3.46Å
500N80.9Confident68.5Low67 Ų6776.5 Ų76.536%0.35841%0.41SS..EExtended strand (participates in β ladder)trans-95110.1175.7-177.5-6.2000110.8Y332 L502Y332-N500 HydrophobicContact CD1-CB 4.32Å; Y332-N500 WeakPolarHBondContact CD1-OD1 3.3Å; N500-L502 VanDerWaalsContact C-N 3.26Å; N500-L502 PolarHBondContact O-N 2.97Å; N500-L502 PolarHBondContact OD1-N 2.94Å
501L76Confident66.8Low8 Ų875.4 Ų75.44%0.04241%0.405CS..  trans-7676.9171-62.9164.5000109.9Y310 E313 I331 Y332 P334 K339 L342Y310-L501 HydrophobicContact CD1-CD2 3.66Å; Y310-L501 HydrophobicContact CE1-CD2 3.86Å; E313-L501 HydrophobicContact CB-CD2 4.37Å; E313-L501 HydrophobicContact CG-CD2 3.81Å; I331-L501 HydrophobicContact CG2-CD1 3.6Å; I331-L501 HydrophobicContact CG2-CG 4.16Å; Y332-L501 VanDerWaalsContact O-CB 3.3Å; Y332-L501 WeakPolarHBondContact O-CB 2.99Å; Y332-L501 PolarHBondContact O-N 3.39Å; P334-L501 WeakPolarHBondContact CD-O 3.09Å; K339-L501 HydrophobicContact CD-CD1 4.32Å; K339-L501 HydrophobicContact CG-CD1 3.49Å; K339-L501 VanDerWaalsContact CG-CD1 3.49Å; L342-L501 HydrophobicContact CD1-CD1 3.96Å; L342-L501 HydrophobicContact CD1-CD2 3.72Å; L342-L501 HydrophobicContact CD1-CG 4.46Å
502L61Low65.2Low89 Ų8969.1 Ų69.147%0.46638%0.38SS..  trans-60.5137.5175.8-72172.4000111.8N500 Y504N500-L502 VanDerWaalsContact C-N 3.26Å; N500-L502 PolarHBondContact O-N 2.97Å; N500-L502 PolarHBondContact OD1-N 2.94Å; L502-Y504 HydrophobicContact CB-CD2 3.75Å; L502-Y504 HydrophobicContact CB-CG 4.14Å; L502-Y504 HydrophobicContact CD1-CD2 4.15Å; L502-Y504 HydrophobicContact CD1-CE2 4.27Å; L502-Y504 HydrophobicContact CD1-CG 4.48Å; L502-Y504 HydrophobicContact CD2-CD2 4.38Å; L502-Y504 HydrophobicContact CD2-CE2 4.39Å; L502-Y504 HydrophobicContact CG-CD2 4.33Å; L502-Y504 PolarHBondContact O-N 3.28Å
503S55.1Low64Low52 Ų5268 Ų6836%0.36438%0.384SS..  trans-74.853.2172.444.70000112.6
504Y48.8Very low62.7Low158 Ų15868.2 Ų68.262%0.6239%0.385SS*.  trans-99.497.5-161.5-112.7-118000115.3L502 Q506L502-Y504 HydrophobicContact CB-CD2 3.75Å; L502-Y504 HydrophobicContact CB-CG 4.14Å; L502-Y504 HydrophobicContact CD1-CD2 4.15Å; L502-Y504 HydrophobicContact CD1-CE2 4.27Å; L502-Y504 HydrophobicContact CD1-CG 4.48Å; L502-Y504 HydrophobicContact CD2-CD2 4.38Å; L502-Y504 HydrophobicContact CD2-CE2 4.39Å; L502-Y504 HydrophobicContact CG-CD2 4.33Å; L502-Y504 PolarHBondContact O-N 3.28Å; Y504-Q506 VanDerWaalsContact C-N 3.28Å; Y504-Q506 PolarHBondContact O-N 2.97Å
505L46.4Very low61.8Low102 Ų10267.2 Ų67.253%0.53437%0.373SS..SBendtrans43.3-38.1134.7-75.4158.2000123.3I507L505-I507 PolarHBondContact O-N 3.29Å
506Q44.9Very low61.2Low192 Ų19265.5 Ų65.590%0.89736%0.359SS*.THydrogen-bonded Turntrans-73.73.2-166-75.7-167.8-32.100115.5Y504Y504-Q506 VanDerWaalsContact C-N 3.28Å; Y504-Q506 PolarHBondContact O-N 2.97Å
507I47.1Very low60.7Low46 Ų4668.4 Ų68.424%0.23635%0.349CS..THydrogen-bonded Turntrans-117.519.5-160.6-41.4-170.6000112.5L309 L505 N509 N510 L511L309-I507 HydrophobicContact CD2-CD1 3.65Å; L309-I507 HydrophobicContact CD2-CG2 4Å; L505-I507 PolarHBondContact O-N 3.29Å; I507-N509 PolarHBondContact O-N 2.73Å; I507-N510 HydrophobicContact CG2-CB 3.76Å; I507-N510 PolarHBondContact O-N 3.42Å; I507-L511 HydrophobicContact CB-CD1 4.21Å; I507-L511 HydrophobicContact CB-CG 4.15Å; I507-L511 HydrophobicContact CG2-CG 4.16Å; I507-L511 WeakPolarHBondContact O-CB 3.22Å; I507-L511 WeakPolarHBondContact O-CD1 3.27Å; I507-L511 WeakPolarHBondContact O-CG 3.41Å; I507-L511 PolarHBondContact O-N 2.79Å
508H45.5Very low60Low69 Ų6967.9 Ų67.932%0.31935%0.345SS..Hα-helixtrans-47.3-36.8179.9-115.3-53.3000114Q553H508-Q553 PolarHBondContact NE2-NE2 3.49Å
509N51.8Low58.9Low142 Ų14266.7 Ų66.776%0.75934%0.337SS*.Hα-helixtrans-71.3-54.2179.4-66.7-4.3000112.7I507 L511 G513I507-N509 PolarHBondContact O-N 2.73Å; N509-L511 VanDerWaalsContact C-N 3.32Å; N509-L511 PolarHBondContact O-N 3.22Å; N509-G513 PolarHBondContact O-N 3.44Å
510N52Low57.9Low75 Ų7571.2 Ų71.240%0.40136%0.358SS..Hα-helixtrans-71.6-29.1-177.6-63.216.2000111.4E308 I507 N512 G513 I514E308-N510 PolarHBondContact OE2-ND2 3.32Å; I507-N510 HydrophobicContact CG2-CB 3.76Å; I507-N510 PolarHBondContact O-N 3.42Å; N510-N512 PolarHBondContact O-N 3.15Å; N510-G513 PolarHBondContact O-N 2.88Å; N510-I514 HydrophobicContact CB-CD1 4.39Å; N510-I514 WeakPolarHBondContact O-CB 3.32Å; N510-I514 WeakPolarHBondContact O-CD1 3.19Å; N510-I514 WeakPolarHBondContact O-CG1 3.32Å; N510-I514 PolarHBondContact O-N 3.2Å
511L51.1Low57.1Low9 Ų971.4 Ų71.45%0.04736%0.355CS..Hα-helixtrans-61-42.5177.5-71.7169.6000112.7I507 N509 I514 L515 I552 I556 I561I507-L511 HydrophobicContact CB-CD1 4.21Å; I507-L511 HydrophobicContact CB-CG 4.15Å; I507-L511 HydrophobicContact CG2-CG 4.16Å; I507-L511 WeakPolarHBondContact O-CB 3.22Å; I507-L511 WeakPolarHBondContact O-CD1 3.27Å; I507-L511 WeakPolarHBondContact O-CG 3.41Å; I507-L511 PolarHBondContact O-N 2.79Å; N509-L511 VanDerWaalsContact C-N 3.32Å; N509-L511 PolarHBondContact O-N 3.22Å; L511-I514 PolarHBondContact O-N 3.2Å; L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 PolarHBondContact O-N 3.4Å; L511-I552 HydrophobicContact CD1-CG2 4.21Å; L511-I556 HydrophobicContact CD1-CD1 3.99Å; L511-I556 HydrophobicContact CD1-CG1 4.26Å; L511-I556 HydrophobicContact CD1-CG2 3.67Å; L511-I556 HydrophobicContact CD2-CG2 3.55Å; L511-I556 HydrophobicContact CG-CG2 4.25Å; L511-I561 HydrophobicContact CD2-CD1 3.37Å; L511-I561 HydrophobicContact CD2-CG1 4.47Å
512N52.4Low56.5Low57 Ų5771.7 Ų71.731%0.30536%0.357SS..Hα-helixtrans-60.5-49.9172.7-74.4-13.7000110.3N510 I514 L515 F516N510-N512 PolarHBondContact O-N 3.15Å; N512-I514 VanDerWaalsContact C-N 3.32Å; N512-I514 PolarHBondContact O-N 3.21Å; N512-L515 PolarHBondContact O-N 3.02Å; N512-F516 HydrophobicContact CB-CD2 4.4Å; N512-F516 WeakPolarHBondContact O-CD2 3.25Å; N512-F516 PolarHBondContact O-N 3.03Å
513G58.9Low56.6Low32 Ų3268.6 Ų68.633%0.3334%0.339SS..Hα-helixtrans-59.8-37.3178.500000114.1N509 N510 K517N509-G513 PolarHBondContact O-N 3.44Å; N510-G513 PolarHBondContact O-N 2.88Å; G513-K517 WeakPolarHBondContact O-CB 3.38Å; G513-K517 WeakPolarHBondContact O-CD 3.37Å; G513-K517 WeakPolarHBondContact O-CG 3.47Å; G513-K517 PolarHBondContact O-N 3Å; G513-K517 VanDerWaalsContact O-N 3.11Å
514I61Low57Low23 Ų2370.1 Ų70.112%0.11834%0.343CS..Hα-helixtrans-68.3-44.4175.7-72165.7000110.7N510 L511 N512 S518 I561N510-I514 HydrophobicContact CB-CD1 4.39Å; N510-I514 WeakPolarHBondContact O-CB 3.32Å; N510-I514 WeakPolarHBondContact O-CD1 3.19Å; N510-I514 WeakPolarHBondContact O-CG1 3.32Å; N510-I514 PolarHBondContact O-N 3.2Å; L511-I514 PolarHBondContact O-N 3.2Å; N512-I514 VanDerWaalsContact C-N 3.32Å; N512-I514 PolarHBondContact O-N 3.21Å; I514-S518 WeakPolarHBondContact O-CB 3.48Å; I514-S518 PolarHBondContact O-N 3.12Å; I514-S518 PolarHBondContact O-OG 3.39Å; I514-I561 HydrophobicContact CG2-CD1 4.3Å; I514-I561 HydrophobicContact CG2-CG2 3.98Å
515L62.7Low57.6Low11 Ų1166.3 Ų66.36%0.05833%0.33CS..Hα-helixtrans-65.4-49.3178.1179.563000111.6L511 N512 S518 I519 I552 I561 L564 A565L511-L515 WeakPolarHBondContact O-CB 3.4Å; L511-L515 PolarHBondContact O-N 3.4Å; N512-L515 PolarHBondContact O-N 3.02Å; L515-S518 WeakPolarHBondContact O-CB 3.3Å; L515-S518 PolarHBondContact O-N 3.24Å; L515-S518 VanDerWaalsContact O-N 3.15Å; L515-I519 HydrophobicContact CD1-CD1 4.07Å; L515-I519 HydrophobicContact CD1-CG1 4.34Å; L515-I519 HydrophobicContact CG-CD1 3.97Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 2.88Å; L515-I552 HydrophobicContact CD2-CD1 4.02Å; L515-I561 HydrophobicContact CB-CG2 3.9Å; L515-I561 HydrophobicContact CD1-CG2 3.91Å; L515-L564 HydrophobicContact CD1-CB 4.39Å; L515-L564 HydrophobicContact CD1-CD2 4Å; L515-L564 HydrophobicContact CD2-CD2 3.93Å; L515-A565 HydrophobicContact CD1-CB 4Å
516F64.1Low58.1Low89 Ų8961.9 Ų61.939%0.3931%0.306SS..Hα-helixtrans-59.1-49.1178.3-83.3-70.3000111.6N512 S518 I519 E520 I543N512-F516 HydrophobicContact CB-CD2 4.4Å; N512-F516 WeakPolarHBondContact O-CD2 3.25Å; N512-F516 PolarHBondContact O-N 3.03Å; F516-S518 VanDerWaalsContact C-N 3.25Å; F516-S518 PolarHBondContact O-N 2.98Å; F516-I519 PolarHBondContact O-N 3.4Å; F516-E520 WeakPolarHBondContact O-CB 3.47Å; F516-E520 PolarHBondContact O-N 3.13Å; F516-I543 HydrophobicContact CD1-CD1 4.25Å; F516-I543 HydrophobicContact CE1-CD1 3.53Å; F516-I543 HydrophobicContact CZ-CD1 4.11Å
517K65.6Low58.6Low144 Ų14455.7 Ų55.763%0.62628%0.275SS*.Hα-helixtrans-59.7-34.2175.5-74174.5179.4-178.40112.9G513 K521G513-K517 WeakPolarHBondContact O-CB 3.38Å; G513-K517 WeakPolarHBondContact O-CD 3.37Å; G513-K517 WeakPolarHBondContact O-CG 3.47Å; G513-K517 PolarHBondContact O-N 3Å; G513-K517 VanDerWaalsContact O-N 3.11Å; K517-K521 VanDerWaalsContact O-CB 3.28Å; K517-K521 WeakPolarHBondContact O-CB 3.13Å; K517-K521 PolarHBondContact O-N 2.93Å
518S65.6Low58.9Low11 Ų1158.9 Ų58.98%0.07730%0.297CS..Hα-helixtrans-71.9-39.7177.2-61.60000112.4Y299 I514 L515 F516 N522Y299-S518 PolarHBondContact OH-OG 3.01Å; I514-S518 WeakPolarHBondContact O-CB 3.48Å; I514-S518 PolarHBondContact O-N 3.12Å; I514-S518 PolarHBondContact O-OG 3.39Å; L515-S518 WeakPolarHBondContact O-CB 3.3Å; L515-S518 PolarHBondContact O-N 3.24Å; L515-S518 VanDerWaalsContact O-N 3.15Å; F516-S518 VanDerWaalsContact C-N 3.25Å; F516-S518 PolarHBondContact O-N 2.98Å; S518-N522 WeakPolarHBondContact O-CB 3.18Å; S518-N522 PolarHBondContact O-N 3.46Å; S518-N522 VanDerWaalsContact O-N 3.08Å; S518-N522 PolarHBondContact O-ND2 3.44Å
519I61.9Low58.9Low3 Ų358.9 Ų58.92%0.01530%0.302CS..Hα-helixtrans-64.7-47.9173.7-67.2167.6000110.1L515 F516 K521 N522 Y523 F538 I543 A565 L568L515-I519 HydrophobicContact CD1-CD1 4.07Å; L515-I519 HydrophobicContact CD1-CG1 4.34Å; L515-I519 HydrophobicContact CG-CD1 3.97Å; L515-I519 WeakPolarHBondContact O-CG1 3.5Å; L515-I519 PolarHBondContact O-N 2.88Å; F516-I519 PolarHBondContact O-N 3.4Å; I519-K521 PolarHBondContact O-N 2.94Å; I519-N522 PolarHBondContact O-N 3.05Å; I519-Y523 WeakPolarHBondContact O-CB 3.43Å; I519-Y523 PolarHBondContact O-N 2.92Å; I519-F538 HydrophobicContact CG2-CE1 3.86Å; I519-F538 HydrophobicContact CG2-CZ 4.24Å; I519-I543 HydrophobicContact CD1-CD1 4.27Å; I519-A565 HydrophobicContact CG1-CB 3.74Å; I519-L568 HydrophobicContact CD1-CB 4.12Å; I519-L568 HydrophobicContact CD1-CD1 3.89Å; I519-L568 HydrophobicContact CG1-CB 4.47Å
520E64Low58.5Low117 Ų11756 Ų5655%0.54729%0.287SS..Hα-helixtrans-59-48.3178.7-175.1-177.4-173.700111.8F516 N522 Y523 N524F516-E520 WeakPolarHBondContact O-CB 3.47Å; F516-E520 PolarHBondContact O-N 3.13Å; E520-N522 VanDerWaalsContact C-N 3.33Å; E520-N522 PolarHBondContact O-N 2.9Å; E520-Y523 PolarHBondContact O-N 3.39Å; E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.26Å; E520-N524 PolarHBondContact O-N 3.44Å; E520-N524 PolarHBondContact O-ND2 3.26Å
521K64.2Low58.1Low70 Ų7059.9 Ų59.930%0.30430%0.3SS..Hα-helixtrans-59.6-42.3176.1-172.9176.6-177.3-177.70112S297 N298 K517 I519 K525S297-K521 PolarHBondContact O-NZ 3.28Å; N298-K521 PolarHBondContact OD1-NZ 3.47Å; K517-K521 VanDerWaalsContact O-CB 3.28Å; K517-K521 WeakPolarHBondContact O-CB 3.13Å; K517-K521 PolarHBondContact O-N 2.93Å; I519-K521 PolarHBondContact O-N 2.94Å; K521-K525 WeakPolarHBondContact O-CB 3.09Å; K521-K525 PolarHBondContact O-N 2.91Å; K521-K525 VanDerWaalsContact O-N 3.09Å
522N62.7Low57.5Low14 Ų1467.2 Ų67.28%0.07533%0.334CS..Hα-helixtrans-69.4-40.3177.8-84.2-23.1000112.7S518 I519 E520 K525 I526 D566 T569 N673S518-N522 WeakPolarHBondContact O-CB 3.18Å; S518-N522 PolarHBondContact O-N 3.46Å; S518-N522 VanDerWaalsContact O-N 3.08Å; S518-N522 PolarHBondContact O-ND2 3.44Å; I519-N522 PolarHBondContact O-N 3.05Å; E520-N522 VanDerWaalsContact C-N 3.33Å; E520-N522 PolarHBondContact O-N 2.9Å; N522-K525 PolarHBondContact O-N 3.3Å; N522-I526 WeakPolarHBondContact O-CG1 3.42Å; N522-I526 PolarHBondContact O-N 2.86Å; N522-I526 VanDerWaalsContact O-N 3.13Å; N522-D566 PolarHBondContact ND2-OD1 2.69Å; N522-T569 HydrophobicContact CB-CG2 3.94Å; N522-N673 PolarHBondContact OD1-ND2 2.86Å
523Y62.6Low56.7Low25 Ų2574.1 Ų74.110%0.09836%0.361CS..Hα-helixtrans-61.1-48.9177.5-177.2-100.3000110.9I519 E520 K525 I526 Y527 F538 T569 T573I519-Y523 WeakPolarHBondContact O-CB 3.43Å; I519-Y523 PolarHBondContact O-N 2.92Å; E520-Y523 PolarHBondContact O-N 3.39Å; Y523-K525 VanDerWaalsContact C-N 3.31Å; Y523-K525 PolarHBondContact O-N 3.3Å; Y523-I526 PolarHBondContact O-N 2.91Å; Y523-I526 VanDerWaalsContact O-N 3.12Å; Y523-Y527 HydrophobicContact CD1-CD2 4.38Å; Y523-Y527 HydrophobicContact CD2-CD2 4.13Å; Y523-Y527 HydrophobicContact CD2-CE2 4.15Å; Y523-Y527 AromaticContact CE1-CD2 3.97Å; Y523-Y527 HydrophobicContact CE1-CD2 3.97Å; Y523-Y527 HydrophobicContact CE1-CE2 4.31Å; Y523-Y527 AromaticContact CE2-CD2 3.69Å; Y523-Y527 HydrophobicContact CE2-CD2 3.69Å; Y523-Y527 AromaticContact CE2-CE2 3.39Å; Y523-Y527 HydrophobicContact CE2-CE2 3.39Å; Y523-Y527 HydrophobicContact CG-CD2 4.46Å; Y523-Y527 AromaticContact CZ-CD2 3.61Å; Y523-Y527 AromaticContact CZ-CE2 3.49Å; Y523-Y527 VanDerWaalsContact CZ-CE2 3.49Å; Y523-Y527 PolarHBondContact O-N 2.9Å; Y523-Y527 VanDerWaalsContact O-N 3.09Å; Y523-F538 HydrophobicContact CD1-CD2 4.3Å; Y523-F538 AromaticContact CD2-CD2 3.95Å; Y523-F538 HydrophobicContact CD2-CD2 3.95Å; Y523-F538 AromaticContact CD2-CE2 3.39Å; Y523-F538 HydrophobicContact CD2-CE2 3.39Å; Y523-F538 HydrophobicContact CD2-CZ 4.1Å; Y523-F538 HydrophobicContact CE1-CD2 4.08Å; Y523-F538 HydrophobicContact CE1-CE2 4.48Å; Y523-F538 AromaticContact CE2-CD2 3.71Å; Y523-F538 HydrophobicContact CE2-CD2 3.71Å; Y523-F538 AromaticContact CE2-CE2 3.34Å; Y523-F538 HydrophobicContact CE2-CE2 3.34Å; Y523-F538 HydrophobicContact CE2-CZ 4.42Å; Y523-F538 HydrophobicContact CG-CD2 4.23Å; Y523-F538 HydrophobicContact CG-CE2 4Å; Y523-F538 AromaticContact CZ-CD2 3.77Å; Y523-F538 AromaticContact CZ-CE2 3.92Å; Y523-T569 HydrophobicContact CD2-CG2 4.46Å; Y523-T573 HydrophobicContact CD2-CG2 3.63Å; Y523-T573 HydrophobicContact CE2-CG2 3.83Å
524N63.4Low55.6Low84 Ų8475.5 Ų75.545%0.44937%0.366SS..Hα-helixtrans-59.2-41175.9-68.7-20.6000111.4E520 I526 Y527 T528E520-N524 WeakPolarHBondContact O-CB 3.48Å; E520-N524 VanDerWaalsContact O-CG 3.26Å; E520-N524 PolarHBondContact O-N 3.44Å; E520-N524 PolarHBondContact O-ND2 3.26Å; N524-I526 VanDerWaalsContact C-N 3.29Å; N524-I526 PolarHBondContact O-N 3.08Å; N524-Y527 PolarHBondContact O-N 3.2Å; N524-T528 WeakPolarHBondContact O-CG2 3.44Å; N524-T528 PolarHBondContact O-N 2.95Å; N524-T528 PolarHBondContact O-OG1 3.42Å; N524-T528 VanDerWaalsContact O-OG1 3.11Å
525K61.7Low54.6Low77 Ų7779.8 Ų79.834%0.33540%0.398SS..Hα-helixtrans-65.3-25.9177.2-165.9-171176.8-161.60114K521 N522 Y523 T528 N673K521-K525 WeakPolarHBondContact O-CB 3.09Å; K521-K525 PolarHBondContact O-N 2.91Å; K521-K525 VanDerWaalsContact O-N 3.09Å; N522-K525 PolarHBondContact O-N 3.3Å; Y523-K525 VanDerWaalsContact C-N 3.31Å; Y523-K525 PolarHBondContact O-N 3.3Å; K525-T528 PolarHBondContact O-OG1 2.84Å; K525-N673 PolarHBondContact NZ-OD1 3.01Å
526I57.6Low53.4Low9 Ų984.5 Ų84.55%0.04642%0.422CS..Hα-helixtrans-79.5-51174.6-66.9167.9000109.7N522 Y523 N524 T528 T529 N530 T569 T573N522-I526 WeakPolarHBondContact O-CG1 3.42Å; N522-I526 PolarHBondContact O-N 2.86Å; N522-I526 VanDerWaalsContact O-N 3.13Å; Y523-I526 PolarHBondContact O-N 2.91Å; Y523-I526 VanDerWaalsContact O-N 3.12Å; N524-I526 VanDerWaalsContact C-N 3.29Å; N524-I526 PolarHBondContact O-N 3.08Å; I526-T528 VanDerWaalsContact C-N 3.34Å; I526-T528 PolarHBondContact O-N 2.83Å; I526-T529 PolarHBondContact O-N 3.37Å; I526-T529 VanDerWaalsContact O-N 3.08Å; I526-T529 PolarHBondContact O-OG1 2.66Å; I526-N530 PolarHBondContact O-N 2.43Å; I526-T569 HydrophobicContact CD1-CG2 3.9Å; I526-T573 HydrophobicContact CD1-CG2 4.01Å; I526-T573 HydrophobicContact CG2-CG2 4.26Å
527Y55.4Low52.4Low62 Ų6287 Ų8724%0.24344%0.439CS..Hα-helixtrans-73.5-15.2-175.7-87-84.6000115.3Y523 N524 T529 T573Y523-Y527 HydrophobicContact CD1-CD2 4.38Å; Y523-Y527 HydrophobicContact CD2-CD2 4.13Å; Y523-Y527 HydrophobicContact CD2-CE2 4.15Å; Y523-Y527 AromaticContact CE1-CD2 3.97Å; Y523-Y527 HydrophobicContact CE1-CD2 3.97Å; Y523-Y527 HydrophobicContact CE1-CE2 4.31Å; Y523-Y527 AromaticContact CE2-CD2 3.69Å; Y523-Y527 HydrophobicContact CE2-CD2 3.69Å; Y523-Y527 AromaticContact CE2-CE2 3.39Å; Y523-Y527 HydrophobicContact CE2-CE2 3.39Å; Y523-Y527 HydrophobicContact CG-CD2 4.46Å; Y523-Y527 AromaticContact CZ-CD2 3.61Å; Y523-Y527 AromaticContact CZ-CE2 3.49Å; Y523-Y527 VanDerWaalsContact CZ-CE2 3.49Å; Y523-Y527 PolarHBondContact O-N 2.9Å; Y523-Y527 VanDerWaalsContact O-N 3.09Å; N524-Y527 PolarHBondContact O-N 3.2Å; Y527-T529 PolarHBondContact O-N 3.11Å; Y527-T573 HydrophobicContact CD2-CG2 4.38Å; Y527-T573 HydrophobicContact CE2-CG2 3.88Å
528T51.8Low51.2Low113 Ų11384.2 Ų84.269%0.69343%0.427SS*.THydrogen-bonded Turntrans-70.9-17.4167.248.20000113.6N524 K525 I526N524-T528 WeakPolarHBondContact O-CG2 3.44Å; N524-T528 PolarHBondContact O-N 2.95Å; N524-T528 PolarHBondContact O-OG1 3.42Å; N524-T528 VanDerWaalsContact O-OG1 3.11Å; K525-T528 PolarHBondContact O-OG1 2.84Å; I526-T528 VanDerWaalsContact C-N 3.34Å; I526-T528 PolarHBondContact O-N 2.83Å
529T46.6Very low50.2Low70 Ų7090.2 Ų90.243%0.42945%0.454SS..THydrogen-bonded Turntrans-101.2-31.9-176.459.70000114.4I526 Y527 S670I526-T529 PolarHBondContact O-N 3.37Å; I526-T529 VanDerWaalsContact O-N 3.08Å; I526-T529 PolarHBondContact O-OG1 2.66Å; Y527-T529 PolarHBondContact O-N 3.11Å; T529-S670 WeakPolarHBondContact OG1-CB 3.46Å; T529-S670 PolarHBondContact OG1-OG 3.37Å
530N43.6Very low49.4Very low82 Ų8293.2 Ų93.244%0.43948%0.475SS..SBendtrans-91.3113.5171.7-73.2-9.2000108.8I526 E532I526-N530 PolarHBondContact O-N 2.43Å; N530-E532 PolarHBondContact O-N 3.3Å
531K43.9Very low48.6Very low156 Ų15693.6 Ų93.668%0.67848%0.481SS*.SBendtrans-61.71.2-165.1-75.5179.1168.7176.30117.2D284D284-K531 IonicContact OD1-NZ 3.16Å; D284-K531 PolarHBondContact OD1-NZ 2.95Å; D284-K531 IonicContact OD2-NZ 2.82Å; D284-K531 PolarHBondContact OD2-NZ 3.37Å
532E37.2Very low47.7Very low162 Ų16296 Ų9676%0.75750%0.498SS*.  trans-97.397.3179-66.9-169.5169.900112.3N530 S534N530-E532 PolarHBondContact O-N 3.3Å; E532-S534 PolarHBondContact O-N 3.08Å
533K35.7Very low47Very low203 Ų20396.2 Ų96.288%0.88350%0.498SS*.  trans-70.966.9172.2-70.9-178.1177174.90112.1S535K533-S535 PolarHBondContact O-N 2.86Å
534S36.9Very low46.3Very low60 Ų6097.8 Ų97.842%0.4251%0.513SS..  trans-74.9100162.345.90000108.9E532 I536E532-S534 PolarHBondContact O-N 3.08Å; S534-I536 PolarHBondContact O-N 2.98Å
535S39.8Very low45.7Very low114 Ų11498.6 Ų98.680%0.79751%0.514SS*.  trans-75.667.7-178.460.20000111.9K533 N537K533-S535 PolarHBondContact O-N 2.86Å; S535-N537 PolarHBondContact O-N 2.69Å
536I36.7Very low45.1Very low110 Ų110102.6 Ų102.656%0.56453%0.534SS*.  trans-71.1109.6170.5-58.9177.8000107.6S534 F538S534-I536 PolarHBondContact O-N 2.98Å; I536-F538 PolarHBondContact O-N 2.75Å; I536-F538 VanDerWaalsContact O-N 3.16Å
537N43.1Very low44.7Very low140 Ų140105.1 Ų105.175%0.74955%0.548SS*.  trans-58117.9173.5-80.1-24.7000109.8S535 Q539S535-N537 PolarHBondContact O-N 2.69Å; N537-Q539 VanDerWaalsContact C-N 3.26Å; N537-Q539 PolarHBondContact O-N 2.77Å
538F41.5Very low44.6Very low86 Ų86102.9 Ų102.938%0.37754%0.54SS..  trans-74.778.1-178.9-139.5-100.2000110.1I519 Y523 I536 S540 Y572I519-F538 HydrophobicContact CG2-CE1 3.86Å; I519-F538 HydrophobicContact CG2-CZ 4.24Å; Y523-F538 HydrophobicContact CD1-CD2 4.3Å; Y523-F538 AromaticContact CD2-CD2 3.95Å; Y523-F538 HydrophobicContact CD2-CD2 3.95Å; Y523-F538 AromaticContact CD2-CE2 3.39Å; Y523-F538 HydrophobicContact CD2-CE2 3.39Å; Y523-F538 HydrophobicContact CD2-CZ 4.1Å; Y523-F538 HydrophobicContact CE1-CD2 4.08Å; Y523-F538 HydrophobicContact CE1-CE2 4.48Å; Y523-F538 AromaticContact CE2-CD2 3.71Å; Y523-F538 HydrophobicContact CE2-CD2 3.71Å; Y523-F538 AromaticContact CE2-CE2 3.34Å; Y523-F538 HydrophobicContact CE2-CE2 3.34Å; Y523-F538 HydrophobicContact CE2-CZ 4.42Å; Y523-F538 HydrophobicContact CG-CD2 4.23Å; Y523-F538 HydrophobicContact CG-CE2 4Å; Y523-F538 AromaticContact CZ-CD2 3.77Å; Y523-F538 AromaticContact CZ-CE2 3.92Å; I536-F538 PolarHBondContact O-N 2.75Å; I536-F538 VanDerWaalsContact O-N 3.16Å; F538-S540 PolarHBondContact O-N 3.36Å; F538-Y572 HydrophobicContact CE1-CD2 4.06Å; F538-Y572 HydrophobicContact CE1-CG 4.42Å; F538-Y572 HydrophobicContact CE2-CD2 4.49Å; F538-Y572 HydrophobicContact CE2-CG 4.16Å; F538-Y572 AromaticContact CZ-CD2 3.52Å; F538-Y572 HydrophobicContact CZ-CD2 3.52Å; F538-Y572 HydrophobicContact CZ-CE2 4.4Å; F538-Y572 AromaticContact CZ-CG 3.6Å; F538-Y572 HydrophobicContact CZ-CG 3.6Å
539Q43Very low44.8Very low138 Ų138101.4 Ų101.465%0.64552%0.524SS*.  trans-63.4118.4-179.7-72.2-173.3-16.200110.3N537 N541N537-Q539 VanDerWaalsContact C-N 3.26Å; N537-Q539 PolarHBondContact O-N 2.77Å; Q539-N541 PolarHBondContact O-N 3.09Å
540S46.6Very low45Very low65 Ų65102.4 Ų102.446%0.45553%0.527SS..G310 helixtrans-50.1-30.2-178.941.20000114.4F538 N542F538-S540 PolarHBondContact O-N 3.36Å; S540-N542 VanDerWaalsContact C-N 3.32Å; S540-N542 PolarHBondContact O-N 3.35Å
541N45.7Very low45.5Very low126 Ų12698.9 Ų98.967%0.67451%0.508SS*.G310 helixtrans-79.1-11.8-161.6-56.88.1000113.9Q539Q539-N541 PolarHBondContact O-N 3.09Å
542N45.3Very low46.1Very low121 Ų12192.1 Ų92.165%0.64748%0.479SS*.G310 helixtrans-96.43.4-177.2-71.5-5.2000113.8S540 S544 Y572S540-N542 VanDerWaalsContact C-N 3.32Å; S540-N542 PolarHBondContact O-N 3.35Å; N542-S544 PolarHBondContact O-N 2.61Å; N542-Y572 PolarHBondContact O-OH 3.22Å
543I49.5Very low47Very low17 Ų1789 Ų899%0.08746%0.464CS..SBendtrans-75.3120.3159.8-53.5-177.3000107.3F516 I519 E545 T548 Y572F516-I543 HydrophobicContact CD1-CD1 4.25Å; F516-I543 HydrophobicContact CE1-CD1 3.53Å; F516-I543 HydrophobicContact CZ-CD1 4.11Å; I519-I543 HydrophobicContact CD1-CD1 4.27Å; I543-E545 VanDerWaalsContact C-N 3.33Å; I543-E545 PolarHBondContact O-N 3.18Å; I543-T548 HydrophobicContact CG2-CG2 3.84Å; I543-Y572 WeakPolarHBondContact CA-OH 3.29Å; I543-Y572 HydrophobicContact CG1-CE2 4.26Å
544S47.4Very low48Very low59 Ų5986.6 Ų86.641%0.41345%0.454SS..  trans-64.588178.757.20000111.2N542 E546 L547 T548N542-S544 PolarHBondContact O-N 2.61Å; S544-E546 VanDerWaalsContact C-N 3.28Å; S544-E546 PolarHBondContact O-N 3.1Å; S544-L547 PolarHBondContact O-N 3.15Å; S544-T548 PolarHBondContact O-N 2.94Å
545E51.1Low48.9Very low100 Ų10085.9 Ų85.947%0.46745%0.445SS..Hα-helixtrans-57.9-35.3-165.9-66.2-158.8147.100114I543 T548 K549I543-E545 VanDerWaalsContact C-N 3.33Å; I543-E545 PolarHBondContact O-N 3.18Å; E545-T548 PolarHBondContact O-N 2.52Å; E545-T548 PolarHBondContact O-OG1 1.81Å; E545-T548 VanDerWaalsContact O-OG1 3.1Å; E545-K549 HydrophobicContact CB-CD 4.31Å; E545-K549 VanDerWaalsContact O-CB 3.25Å; E545-K549 WeakPolarHBondContact O-CB 3.31Å; E545-K549 WeakPolarHBondContact O-CD 3.44Å; E545-K549 WeakPolarHBondContact O-CG 3.48Å; E545-K549 PolarHBondContact O-N 2.95Å; E545-K549 IonicContact OE2-NZ 2.6Å; E545-K549 PolarHBondContact OE2-NZ 3.38Å
546E49.2Very low50.1Low161 Ų16182 Ų8275%0.75242%0.415SS*.Hα-helixtrans-65.1-41.4-177.9-59.2-174.3131.800111.7S544 L550S544-E546 VanDerWaalsContact C-N 3.28Å; S544-E546 PolarHBondContact O-N 3.1Å; E546-L550 PolarHBondContact O-N 3.18Å; E546-L550 VanDerWaalsContact O-N 3.16Å
547L49.1Very low51.8Low63 Ų6377.1 Ų77.133%0.3339%0.39SS..Hα-helixtrans-74.9-27.1179.9-62.1-176.9000112.9S544 N551 N582S544-L547 PolarHBondContact O-N 3.15Å; L547-N551 PolarHBondContact O-ND2 3.04Å; L547-N582 WeakPolarHBondContact CD2-O 3.47Å
548T53.7Low53.2Low15 Ų1572.8 Ų72.89%0.09237%0.37CS..Hα-helixtrans-79.4-44.5172.452.90000111.3I543 S544 E545 L550 N551 I552 L568I543-T548 HydrophobicContact CG2-CG2 3.84Å; S544-T548 PolarHBondContact O-N 2.94Å; E545-T548 PolarHBondContact O-N 2.52Å; E545-T548 PolarHBondContact O-OG1 1.81Å; E545-T548 VanDerWaalsContact O-OG1 3.1Å; T548-L550 PolarHBondContact O-N 3.47Å; T548-N551 PolarHBondContact O-N 2.72Å; T548-I552 WeakPolarHBondContact O-CB 3.37Å; T548-I552 WeakPolarHBondContact O-CD1 3.41Å; T548-I552 VanDerWaalsContact O-CG1 3.24Å; T548-I552 WeakPolarHBondContact O-CG1 3.5Å; T548-I552 PolarHBondContact O-N 3.47Å; T548-I552 VanDerWaalsContact O-N 3.14Å; T548-L568 HydrophobicContact CG2-CD1 4.49Å
549K54.1Low54.8Low81 Ų8169.7 Ų69.735%0.35236%0.358SS..Hα-helixtrans-57-45.7178.9-74166.5-173.4169.10112.6E545 Q553E545-K549 HydrophobicContact CB-CD 4.31Å; E545-K549 VanDerWaalsContact O-CB 3.25Å; E545-K549 WeakPolarHBondContact O-CB 3.31Å; E545-K549 WeakPolarHBondContact O-CD 3.44Å; E545-K549 WeakPolarHBondContact O-CG 3.48Å; E545-K549 PolarHBondContact O-N 2.95Å; E545-K549 IonicContact OE2-NZ 2.6Å; E545-K549 PolarHBondContact OE2-NZ 3.38Å; K549-Q553 WeakPolarHBondContact O-CG 3.36Å
550L52.1Low56.5Low92 Ų9263.3 Ų63.348%0.48233%0.328SS..Hα-helixtrans-65.9-41.5-178-89.4165000114E546 T548E546-L550 PolarHBondContact O-N 3.18Å; E546-L550 VanDerWaalsContact O-N 3.16Å; T548-L550 PolarHBondContact O-N 3.47Å
551N53.1Low57.7Low8 Ų860.9 Ų60.94%0.04331%0.309CS..Hα-helixtrans-82.5-23.7-174.9-58.7-43.7000112.1L547 T548 Q553 H583 Y584L547-N551 PolarHBondContact O-ND2 3.04Å; T548-N551 PolarHBondContact O-N 2.72Å; N551-Q553 VanDerWaalsContact C-N 3.35Å; N551-H583 PolarHBondContact OD1-ND1 2.9Å; N551-Y584 PolarHBondContact ND2-N 3.32Å; N551-Y584 PolarHBondContact OD1-O 2.89Å
552I56.7Low59.2Low14 Ų1457.5 Ų57.57%0.07229%0.289CS..Hα-helixtrans-69.8-29.6173.4-70.3167.5000112L511 L515 T548 K554 I556 L564L511-I552 HydrophobicContact CD1-CG2 4.21Å; L515-I552 HydrophobicContact CD2-CD1 4.02Å; T548-I552 WeakPolarHBondContact O-CB 3.37Å; T548-I552 WeakPolarHBondContact O-CD1 3.41Å; T548-I552 VanDerWaalsContact O-CG1 3.24Å; T548-I552 WeakPolarHBondContact O-CG1 3.5Å; T548-I552 PolarHBondContact O-N 3.47Å; T548-I552 VanDerWaalsContact O-N 3.14Å; I552-K554 PolarHBondContact O-N 2.79Å; I552-I556 WeakPolarHBondContact O-CG1 3.31Å; I552-L564 HydrophobicContact CD1-CD2 4.46Å; I552-L564 HydrophobicContact CG1-CD2 4.49Å
553Q56.3Low60.7Low96 Ų9651.8 Ų51.845%0.44926%0.258SS..THydrogen-bonded Turntrans-64.7-20.3-177.7-77.7177.4-4.700115H508 K549 N551H508-Q553 PolarHBondContact NE2-NE2 3.49Å; K549-Q553 WeakPolarHBondContact O-CG 3.36Å; N551-Q553 VanDerWaalsContact C-N 3.35Å
554K56.4Low62Low152 Ų15251.2 Ų51.266%0.66126%0.255SS*.THydrogen-bonded Turntrans-101-27.9-171-70.6-176.9176.8179.30115I552 N586I552-K554 PolarHBondContact O-N 2.79Å; K554-N586 HydrophobicContact CB-CB 4.23Å; K554-N586 WeakPolarHBondContact CB-OD1 3.46Å
555N56.9Low63.3Low46 Ų4648.4 Ų48.425%0.24624%0.236CC..  trans-143.6115.9175.2-100.3-30.2000110.6N586N555-N586 HydrophobicContact CB-CB 4.49Å; N555-N586 VanDerWaalsContact CB-O 3.22Å; N555-N586 WeakPolarHBondContact CB-O 3.13Å; N555-N586 PolarHBondContact ND2-O 3.16Å
556I65.5Low64.5Low31 Ų3143.8 Ų43.816%0.15921%0.214CC..  trans-120.983.8-174.1-55.5169.8000108.1L511 I552L511-I556 HydrophobicContact CD1-CD1 3.99Å; L511-I556 HydrophobicContact CD1-CG1 4.26Å; L511-I556 HydrophobicContact CD1-CG2 3.67Å; L511-I556 HydrophobicContact CD2-CG2 3.55Å; L511-I556 HydrophobicContact CG-CG2 4.25Å; I552-I556 WeakPolarHBondContact O-CG1 3.31Å
557T71.5Confident65.7Low8 Ų836.6 Ų36.65%0.04918%0.18CC..  trans-120.3139.6167.775.20000110.2P334 P335 N559 Y560 I561P334-T557 HydrophobicContact CB-CG2 4.39Å; P334-T557 HydrophobicContact CG-CG2 4.1Å; P335-T557 PolarHBondContact O-OG1 3.23Å; T557-N559 PolarHBondContact O-N 3.39Å; T557-N559 VanDerWaalsContact O-N 3.08Å; T557-Y560 WeakPolarHBondContact O-CB 3.31Å; T557-Y560 PolarHBondContact O-N 3.24Å; T557-Y560 WeakPolarHBondContact OG1-CB 3.42Å; T557-Y560 PolarHBondContact OG1-N 3.29Å; T557-I561 WeakPolarHBondContact O-CG1 3.45Å; T557-I561 PolarHBondContact O-N 2.83Å; T557-I561 VanDerWaalsContact O-N 3.16Å
558P72Confident66.9Low49 Ų4933.8 Ų33.832%0.31817%0.166SC..Hα-helixtrans-48.5-35.9176.3-32.735.5000114.6G336 I561 K562G336-P558 WeakPolarHBondContact O-CD 3.23Å; P558-I561 PolarHBondContact O-N 3.28Å; P558-K562 PolarHBondContact O-N 2.97Å; P558-K562 VanDerWaalsContact O-N 3.09Å
559N76.5Confident67.7Low22 Ų2233.1 Ų33.112%0.11816%0.162CC..Hα-helixtrans-72-36.9178.3-166.443.8000113.2T557 I561 K562 L563 L588 Y696T557-N559 PolarHBondContact O-N 3.39Å; T557-N559 VanDerWaalsContact O-N 3.08Å; N559-I561 VanDerWaalsContact C-N 3.34Å; N559-K562 PolarHBondContact O-N 2.88Å; N559-L563 PolarHBondContact O-N 2.82Å; N559-L588 WeakPolarHBondContact ND2-CD2 3.43Å; N559-Y696 VanDerWaalsContact CG-OH 3.26Å; N559-Y696 PolarHBondContact ND2-OH 2.87Å; N559-Y696 PolarHBondContact OD1-OH 2.93Å
560Y76.8Confident68.3Low4 Ų429.3 Ų29.32%0.01615%0.145CC..Hα-helixtrans-61.9-42.1172.3177.9-90.6000111.3T557 L563 L564 P585 N586 L591T557-Y560 WeakPolarHBondContact O-CB 3.31Å; T557-Y560 PolarHBondContact O-N 3.24Å; T557-Y560 WeakPolarHBondContact OG1-CB 3.42Å; T557-Y560 PolarHBondContact OG1-N 3.29Å; Y560-L563 PolarHBondContact O-N 3.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.19Å; Y560-L564 PolarHBondContact O-N 3.12Å; Y560-P585 PolarHBondContact OH-O 2.91Å; Y560-N586 WeakPolarHBondContact CE2-O 3.32Å; Y560-L591 HydrophobicContact CD2-CD2 3.71Å; Y560-L591 HydrophobicContact CE2-CB 4.27Å; Y560-L591 HydrophobicContact CE2-CD2 3.54Å; Y560-L591 HydrophobicContact CE2-CG 4.36Å; Y560-L591 HydrophobicContact CG-CD2 4.3Å
561I73.4Confident68.9Low14 Ų1429.1 Ų29.17%0.07214%0.141CC..Hα-helixtrans-63.2-45.1177.3-54.8164.3000110.9L511 I514 L515 T557 P558 N559 L563 L564 A565L511-I561 HydrophobicContact CD2-CD1 3.37Å; L511-I561 HydrophobicContact CD2-CG1 4.47Å; I514-I561 HydrophobicContact CG2-CD1 4.3Å; I514-I561 HydrophobicContact CG2-CG2 3.98Å; L515-I561 HydrophobicContact CB-CG2 3.9Å; L515-I561 HydrophobicContact CD1-CG2 3.91Å; T557-I561 WeakPolarHBondContact O-CG1 3.45Å; T557-I561 PolarHBondContact O-N 2.83Å; T557-I561 VanDerWaalsContact O-N 3.16Å; P558-I561 PolarHBondContact O-N 3.28Å; N559-I561 VanDerWaalsContact C-N 3.34Å; I561-L563 VanDerWaalsContact C-N 3.32Å; I561-L563 PolarHBondContact O-N 2.9Å; I561-L564 PolarHBondContact O-N 3.03Å; I561-A565 WeakPolarHBondContact O-CB 3.28Å; I561-A565 PolarHBondContact O-N 3.28Å
562K75.7Confident69.4Low55 Ų5532.3 Ų32.324%0.23915%0.152CC..Hα-helixtrans-58.8-42.7176.6-173.7-175.2177.7-171.40111.9P558 N559 A565 D566P558-K562 PolarHBondContact O-N 2.97Å; P558-K562 VanDerWaalsContact O-N 3.09Å; N559-K562 PolarHBondContact O-N 2.88Å; K562-A565 WeakPolarHBondContact O-CB 3.31Å; K562-A565 PolarHBondContact O-N 3.33Å; K562-D566 PolarHBondContact O-N 3.25Å; K562-D566 VanDerWaalsContact O-N 3.07Å
563L78.1Confident69.5Low1 Ų132.8 Ų32.81%0.00516%0.156CC..Hα-helixtrans-74.8-37.7-179-168.8149.5000112.6N559 Y560 I561 A565 D566 I567 L588 L591 F592 R595 Y677 Y696N559-L563 PolarHBondContact O-N 2.82Å; Y560-L563 PolarHBondContact O-N 3.25Å; I561-L563 VanDerWaalsContact C-N 3.32Å; I561-L563 PolarHBondContact O-N 2.9Å; L563-A565 VanDerWaalsContact C-N 3.26Å; L563-A565 PolarHBondContact O-N 3.44Å; L563-D566 PolarHBondContact O-N 3.15Å; L563-I567 HydrophobicContact CD2-CD1 3.64Å; L563-I567 HydrophobicContact CD2-CG1 4.26Å; L563-I567 WeakPolarHBondContact O-CG1 3.49Å; L563-I567 PolarHBondContact O-N 3.47Å; L563-L588 HydrophobicContact CD1-CD1 4.41Å; L563-L591 HydrophobicContact CD2-CB 3.98Å; L563-L591 HydrophobicContact CD2-CD2 3.57Å; L563-L591 HydrophobicContact CD2-CG 3.5Å; L563-L591 VanDerWaalsContact CD2-CG 3.5Å; L563-F592 HydrophobicContact CD1-CB 3.85Å; L563-F592 HydrophobicContact CD1-CD2 3.86Å; L563-F592 HydrophobicContact CD1-CG 4.31Å; L563-R595 HydrophobicContact CD2-CB 4.36Å; L563-Y677 HydrophobicContact CD1-CD1 4.49Å; L563-Y677 HydrophobicContact CD1-CE1 4.16Å; L563-Y677 HydrophobicContact CG-CE1 4.34Å; L563-Y696 HydrophobicContact CD1-CD1 4.36Å; L563-Y696 HydrophobicContact CD1-CE1 3.42Å; L563-Y696 VanDerWaalsContact CD1-CE1 3.42Å; L563-Y696 WeakPolarHBondContact CD1-OH 3.39Å
564L76.8Confident69.4Low5 Ų529.3 Ų29.33%0.02614%0.142CC..Hα-helixtrans-58.9-41169.9-165.584.5000110.6L515 I552 Y560 I561 I567 L568 Y584 L591L515-L564 HydrophobicContact CD1-CB 4.39Å; L515-L564 HydrophobicContact CD1-CD2 4Å; L515-L564 HydrophobicContact CD2-CD2 3.93Å; I552-L564 HydrophobicContact CD1-CD2 4.46Å; I552-L564 HydrophobicContact CG1-CD2 4.49Å; Y560-L564 WeakPolarHBondContact O-CB 3.19Å; Y560-L564 PolarHBondContact O-N 3.12Å; I561-L564 PolarHBondContact O-N 3.03Å; L564-I567 PolarHBondContact O-N 2.92Å; L564-L568 HydrophobicContact CD2-CD1 4.16Å; L564-L568 HydrophobicContact CG-CD1 4.02Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 VanDerWaalsContact O-CG 3.32Å; L564-L568 WeakPolarHBondContact O-CG 3.5Å; L564-L568 PolarHBondContact O-N 3.48Å; L564-Y584 HydrophobicContact CD1-CD1 4.47Å; L564-Y584 HydrophobicContact CD1-CG 4.39Å; L564-L591 HydrophobicContact CB-CD2 4.15Å; L564-L591 HydrophobicContact CD1-CD1 4.13Å; L564-L591 HydrophobicContact CD1-CD2 3.97Å
565A74Confident69.2Low0 Ų031.8 Ų31.80%016%0.155CC..Hα-helixtrans-61.4-45.9174.900000112.3L515 I519 I561 K562 L563 I567 L568 T569L515-A565 HydrophobicContact CD1-CB 4Å; I519-A565 HydrophobicContact CG1-CB 3.74Å; I561-A565 WeakPolarHBondContact O-CB 3.28Å; I561-A565 PolarHBondContact O-N 3.28Å; K562-A565 WeakPolarHBondContact O-CB 3.31Å; K562-A565 PolarHBondContact O-N 3.33Å; L563-A565 VanDerWaalsContact C-N 3.26Å; L563-A565 PolarHBondContact O-N 3.44Å; A565-I567 PolarHBondContact O-N 2.86Å; A565-L568 PolarHBondContact O-N 3.09Å; A565-T569 VanDerWaalsContact O-CB 3.31Å; A565-T569 WeakPolarHBondContact O-CB 3.44Å; A565-T569 PolarHBondContact O-N 3.13Å; A565-T569 PolarHBondContact O-OG1 3.34Å
566D76Confident68.9Low3 Ų331.6 Ų31.62%0.01615%0.154CC..Hα-helixtrans-58.1-47175.4-71-39.6000111.8N522 K562 L563 T569 T570 R595 N673 N676 Y677N522-D566 PolarHBondContact ND2-OD1 2.69Å; K562-D566 PolarHBondContact O-N 3.25Å; K562-D566 VanDerWaalsContact O-N 3.07Å; L563-D566 PolarHBondContact O-N 3.15Å; D566-T569 PolarHBondContact O-N 3.24Å; D566-T570 PolarHBondContact O-N 2.87Å; D566-T570 VanDerWaalsContact O-N 3.12Å; D566-T570 PolarHBondContact O-OG1 3.34Å; D566-R595 PolarHBondContact O-NH1 3.1Å; D566-N673 PolarHBondContact OD1-ND2 3.21Å; D566-N676 PolarHBondContact OD1-ND2 3.29Å; D566-Y677 WeakPolarHBondContact CB-OH 3.42Å; D566-Y677 VanDerWaalsContact OD2-CE1 3.24Å; D566-Y677 WeakPolarHBondContact OD2-CE1 3.47Å; D566-Y677 VanDerWaalsContact OD2-CZ 3.32Å; D566-Y677 PolarHBondContact OD2-OH 3.49Å
567I75.2Confident68Low9 Ų939.1 Ų39.15%0.04619%0.188CC..Hα-helixtrans-60.3-50.5179.1-67.9171.6000111.2L563 L564 A565 T570 K571 Y584 L591 L594 R595 Q598L563-I567 HydrophobicContact CD2-CD1 3.64Å; L563-I567 HydrophobicContact CD2-CG1 4.26Å; L563-I567 WeakPolarHBondContact O-CG1 3.49Å; L563-I567 PolarHBondContact O-N 3.47Å; L564-I567 PolarHBondContact O-N 2.92Å; A565-I567 PolarHBondContact O-N 2.86Å; I567-T570 PolarHBondContact O-N 3.07Å; I567-K571 PolarHBondContact O-N 2.99Å; I567-K571 VanDerWaalsContact O-N 3.11Å; I567-Y584 HydrophobicContact CG2-CE1 4.17Å; I567-L591 HydrophobicContact CD1-CD1 3.91Å; I567-L591 HydrophobicContact CD1-CD2 4.47Å; I567-L591 HydrophobicContact CD1-CG 3.77Å; I567-L591 WeakPolarHBondContact CD1-O 3.4Å; I567-L594 HydrophobicContact CD1-CB 4.46Å; I567-R595 HydrophobicContact CD1-CB 4.06Å; I567-R595 HydrophobicContact CG1-CB 3.85Å; I567-R595 HydrophobicContact CG1-CG 4.31Å; I567-Q598 PolarHBondContact O-NE2 3.36Å
568L73.5Confident66.9Low5 Ų541.1 Ų41.13%0.02620%0.198CC..Hα-helixtrans-63.5-45.4-179.1-72.1171.6000110.8I519 T548 L564 A565 T570 K571 Y572I519-L568 HydrophobicContact CD1-CB 4.12Å; I519-L568 HydrophobicContact CD1-CD1 3.89Å; I519-L568 HydrophobicContact CG1-CB 4.47Å; T548-L568 HydrophobicContact CG2-CD1 4.49Å; L564-L568 HydrophobicContact CD2-CD1 4.16Å; L564-L568 HydrophobicContact CG-CD1 4.02Å; L564-L568 WeakPolarHBondContact O-CB 3.36Å; L564-L568 VanDerWaalsContact O-CG 3.32Å; L564-L568 WeakPolarHBondContact O-CG 3.5Å; L564-L568 PolarHBondContact O-N 3.48Å; A565-L568 PolarHBondContact O-N 3.09Å; L568-T570 PolarHBondContact O-N 2.8Å; L568-K571 WeakPolarHBondContact O-CB 3.28Å; L568-K571 PolarHBondContact O-N 3.34Å; L568-K571 VanDerWaalsContact O-N 3.12Å; L568-Y572 HydrophobicContact CB-CE2 4.45Å; L568-Y572 WeakPolarHBondContact O-CD2 3.39Å; L568-Y572 PolarHBondContact O-N 3.42Å
569T70.4Confident66Low1 Ų146.3 Ų46.31%0.00622%0.223CC..Hα-helixtrans-54.6-51.3177.6-52.90000110.8N522 Y523 I526 A565 D566 K571 Y572 T573N522-T569 HydrophobicContact CB-CG2 3.94Å; Y523-T569 HydrophobicContact CD2-CG2 4.46Å; I526-T569 HydrophobicContact CD1-CG2 3.9Å; A565-T569 VanDerWaalsContact O-CB 3.31Å; A565-T569 WeakPolarHBondContact O-CB 3.44Å; A565-T569 PolarHBondContact O-N 3.13Å; A565-T569 PolarHBondContact O-OG1 3.34Å; D566-T569 PolarHBondContact O-N 3.24Å; T569-K571 VanDerWaalsContact C-N 3.28Å; T569-K571 PolarHBondContact O-N 3.41Å; T569-Y572 PolarHBondContact O-N 3Å; T569-T573 HydrophobicContact CG2-CG2 4.23Å; T569-T573 WeakPolarHBondContact O-CG2 3.27Å; T569-T573 PolarHBondContact O-N 2.78Å
570T67.5Low64.8Low1 Ų147.4 Ų47.41%0.00623%0.233CC..Hα-helixtrans-69.1-24.5-178.2-51.50000113.3D566 I567 L568 Y572 T573 T574 R595 I602D566-T570 PolarHBondContact O-N 2.87Å; D566-T570 VanDerWaalsContact O-N 3.12Å; D566-T570 PolarHBondContact O-OG1 3.34Å; I567-T570 PolarHBondContact O-N 3.07Å; L568-T570 PolarHBondContact O-N 2.8Å; T570-Y572 PolarHBondContact O-N 2.89Å; T570-T573 WeakPolarHBondContact CA-OG1 3.43Å; T570-T574 HydrophobicContact CG2-CG2 3.9Å; T570-T574 PolarHBondContact O-N 3.14Å; T570-T574 VanDerWaalsContact O-N 3.15Å; T570-T574 PolarHBondContact O-OG1 2.83Å; T570-R595 VanDerWaalsContact CB-NH1 3.26Å; T570-R595 PolarHBondContact OG1-NH1 2.93Å; T570-R595 PolarHBondContact OG1-NH2 3.28Å; T570-I602 HydrophobicContact CG2-CD1 3.52Å
571K64.6Low63.9Low87 Ų8749.9 Ų49.938%0.37825%0.249SC..Hα-helixtrans-66.3-25.9169.6-179.4173.5175.1175.40112.3I567 L568 T569 S580I567-K571 PolarHBondContact O-N 2.99Å; I567-K571 VanDerWaalsContact O-N 3.11Å; L568-K571 WeakPolarHBondContact O-CB 3.28Å; L568-K571 PolarHBondContact O-N 3.34Å; L568-K571 VanDerWaalsContact O-N 3.12Å; T569-K571 VanDerWaalsContact C-N 3.28Å; T569-K571 PolarHBondContact O-N 3.41Å; K571-S580 PolarHBondContact NZ-OG 3.47Å
572Y62.5Low63.1Low75 Ų7555.8 Ų55.829%0.29428%0.281SS..Hα-helixtrans-92.6-26.4175.1-64-64.3000114F538 N542 I543 L568 T569 T570F538-Y572 HydrophobicContact CE1-CD2 4.06Å; F538-Y572 HydrophobicContact CE1-CG 4.42Å; F538-Y572 HydrophobicContact CE2-CD2 4.49Å; F538-Y572 HydrophobicContact CE2-CG 4.16Å; F538-Y572 AromaticContact CZ-CD2 3.52Å; F538-Y572 HydrophobicContact CZ-CD2 3.52Å; F538-Y572 HydrophobicContact CZ-CE2 4.4Å; F538-Y572 AromaticContact CZ-CG 3.6Å; F538-Y572 HydrophobicContact CZ-CG 3.6Å; N542-Y572 PolarHBondContact O-OH 3.22Å; I543-Y572 WeakPolarHBondContact CA-OH 3.29Å; I543-Y572 HydrophobicContact CG1-CE2 4.26Å; L568-Y572 HydrophobicContact CB-CE2 4.45Å; L568-Y572 WeakPolarHBondContact O-CD2 3.39Å; L568-Y572 PolarHBondContact O-N 3.42Å; T569-Y572 PolarHBondContact O-N 3Å; T570-Y572 PolarHBondContact O-N 2.89Å
573T59.2Low62.5Low24 Ų2458.7 Ų58.715%0.14730%0.295CS..Hα-helixtrans-87.1-20.7179.365.40000114.9Y523 I526 Y527 T569 T570Y523-T573 HydrophobicContact CD2-CG2 3.63Å; Y523-T573 HydrophobicContact CE2-CG2 3.83Å; I526-T573 HydrophobicContact CD1-CG2 4.01Å; I526-T573 HydrophobicContact CG2-CG2 4.26Å; Y527-T573 HydrophobicContact CD2-CG2 4.38Å; Y527-T573 HydrophobicContact CE2-CG2 3.88Å; T569-T573 HydrophobicContact CG2-CG2 4.23Å; T569-T573 WeakPolarHBondContact O-CG2 3.27Å; T569-T573 PolarHBondContact O-N 2.78Å; T570-T573 WeakPolarHBondContact CA-OG1 3.43Å
574T55.5Low62.1Low24 Ų2459.3 Ų59.315%0.14730%0.298CS..  trans-108.6128.1-178.760.50000111.5T570 I576 I602T570-T574 HydrophobicContact CG2-CG2 3.9Å; T570-T574 PolarHBondContact O-N 3.14Å; T570-T574 VanDerWaalsContact O-N 3.15Å; T570-T574 PolarHBondContact O-OG1 2.83Å; T574-I576 PolarHBondContact O-N 3.4Å; T574-I602 HydrophobicContact CG2-CD1 4.31Å; T574-I602 HydrophobicContact CG2-CG1 4.49Å
575Q51.6Low61.9Low203 Ų20360.6 Ų60.695%0.94931%0.306SS*.  trans-74.124.6179-65.5-177-13.400113.5
576I49.6Very low61.7Low42 Ų4262.7 Ų62.722%0.21532%0.317CS..  trans-97.3124.3-172.8-54.8174.4000108.9T574 I578 I602 Q605T574-I576 PolarHBondContact O-N 3.4Å; I576-I578 HydrophobicContact CB-CD1 4.48Å; I576-I578 HydrophobicContact CB-CG1 4.12Å; I576-I578 HydrophobicContact CG2-CD1 4.37Å; I576-I578 HydrophobicContact CG2-CG1 3.69Å; I576-I578 PolarHBondContact O-N 3.03Å; I576-I602 HydrophobicContact CD1-CB 4.32Å; I576-I602 HydrophobicContact CD1-CG1 4.01Å; I576-I602 HydrophobicContact CD1-CG2 4.31Å; I576-Q605 VanDerWaalsContact CD1-OE1 3.27Å
577H46.3Very low61.5Low189 Ų18966 Ų6688%0.87534%0.335SS*.  trans-68.973.6170-77.9-77.6000111.4
578I50.4Low61.7Low51 Ų5166.3 Ų66.326%0.26234%0.336SS..  trans-80.9114168.7-55.4174.8000107.2I576 S580 Q598 T601 I602I576-I578 HydrophobicContact CB-CD1 4.48Å; I576-I578 HydrophobicContact CB-CG1 4.12Å; I576-I578 HydrophobicContact CG2-CD1 4.37Å; I576-I578 HydrophobicContact CG2-CG1 3.69Å; I576-I578 PolarHBondContact O-N 3.03Å; I578-S580 PolarHBondContact O-N 3.28Å; I578-Q598 HydrophobicContact CD1-CG 3.71Å; I578-T601 WeakPolarHBondContact CD1-OG1 3.41Å; I578-I602 HydrophobicContact CD1-CG1 4.36Å
579N51.3Low62Low157 Ų15768.1 Ų68.184%0.8435%0.346SS*.  trans-61.197.3175.2-74.2-8.8000110.1
580S53.1Low62.4Low46 Ų4670 Ų7032%0.32236%0.356SS..  trans-69.3132.7172.250.50000109.8K571 I578K571-S580 PolarHBondContact NZ-OG 3.47Å; I578-S580 PolarHBondContact O-N 3.28Å
581P56.7Low63.1Low55 Ų5570 Ų7036%0.35736%0.356SS..  trans-63.6147.9177.128-34.9000110.9H583 L594P581-H583 WeakPolarHBondContact CG-O 3.19Å; P581-H583 PolarHBondContact O-N 3.04Å; P581-H583 VanDerWaalsContact O-N 3.14Å; P581-L594 HydrophobicContact CG-CD1 3.7Å; P581-L594 HydrophobicContact CG-CD2 4.1Å
582N56.2Low64Low139 Ų13966 Ų6674%0.74334%0.338SS*.SBendtrans-62.5-22.4-176.9-66.9-0.4000113.4L547L547-N582 WeakPolarHBondContact CD2-O 3.47Å
583H63.7Low64.8Low116 Ų11664.1 Ų64.154%0.53733%0.332SS..SBendtrans-122.2138164.8-87.3-80.8000110.3N551 P581N551-H583 PolarHBondContact OD1-ND1 2.9Å; P581-H583 WeakPolarHBondContact CG-O 3.19Å; P581-H583 PolarHBondContact O-N 3.04Å; P581-H583 VanDerWaalsContact O-N 3.14Å
584Y71Confident65.7Low14 Ų1465 Ų656%0.05534%0.336CS..  trans-77.4135.1160.1-68-80.8000108.5N551 L564 I567 L591 L594N551-Y584 PolarHBondContact ND2-N 3.32Å; N551-Y584 PolarHBondContact OD1-O 2.89Å; L564-Y584 HydrophobicContact CD1-CD1 4.47Å; L564-Y584 HydrophobicContact CD1-CG 4.39Å; I567-Y584 HydrophobicContact CG2-CE1 4.17Å; Y584-L591 HydrophobicContact CD1-CD1 3.92Å; Y584-L591 HydrophobicContact CG-CD1 4.45Å; Y584-L594 HydrophobicContact CD1-CD1 4.19Å
585P70.9Confident66.9Low31 Ų3163.9 Ų63.920%0.20133%0.329CS..  trans-71.4141.6179.731.2-35.9000110.5Y560 D587 N590 L591 L594Y560-P585 PolarHBondContact OH-O 2.91Å; P585-D587 PolarHBondContact O-N 2.84Å; P585-N590 HydrophobicContact CB-CB 3.5Å; P585-N590 VanDerWaalsContact CB-CB 3.5Å; P585-N590 VanDerWaalsContact CG-C 3.46Å; P585-N590 HydrophobicContact CG-CB 3.55Å; P585-L591 HydrophobicContact CG-CB 4.41Å; P585-L591 HydrophobicContact CG-CD1 4.37Å; P585-L594 VanDerWaalsContact CD-CD1 3.42Å; P585-L594 HydrophobicContact CG-CD1 4.04Å
586N70Confident68.3Low44 Ų4456.2 Ų56.224%0.23529%0.294CS..SBendtrans-70.8-21.7-177.1-47.7-71.2000112.4K554 N555 Y560K554-N586 HydrophobicContact CB-CB 4.23Å; K554-N586 WeakPolarHBondContact CB-OD1 3.46Å; N555-N586 HydrophobicContact CB-CB 4.49Å; N555-N586 VanDerWaalsContact CB-O 3.22Å; N555-N586 WeakPolarHBondContact CB-O 3.13Å; N555-N586 PolarHBondContact ND2-O 3.16Å; Y560-N586 WeakPolarHBondContact CE2-O 3.32Å
587D71.8Confident69.7Low74 Ų7460.7 Ų60.740%0.39631%0.312SS..SBendtrans-85.5132.5-175.6-43.6-63.8000111.3P585 I589 N590 L591P585-D587 PolarHBondContact O-N 2.84Å; D587-I589 PolarHBondContact O-N 3.42Å; D587-I589 VanDerWaalsContact O-N 3.15Å; D587-N590 HydrophobicContact CB-CB 4.28Å; D587-N590 PolarHBondContact O-N 3.2Å; D587-N590 VanDerWaalsContact O-N 3.12Å; D587-N590 PolarHBondContact OD2-ND2 3.44Å; D587-L591 PolarHBondContact O-N 3.01Å
588L79.1Confident71.2Confident14 Ų1452.3 Ų52.37%0.07327%0.273CS..Hα-helixtrans-54-35177.1-179.465.2000112.8N559 L563 F592 Y696N559-L588 WeakPolarHBondContact ND2-CD2 3.43Å; L563-L588 HydrophobicContact CD1-CD1 4.41Å; L588-F592 WeakPolarHBondContact O-CB 3.4Å; L588-F592 PolarHBondContact O-N 2.77Å; L588-Y696 HydrophobicContact CD1-CE1 3.91Å; L588-Y696 HydrophobicContact CD2-CE1 4.37Å; L588-Y696 HydrophobicContact CG-CE1 4.01Å
589I80.7Confident72.5Confident44 Ų4450 Ų5023%0.22626%0.261CS..Hα-helixtrans-58.9-60.9174.2-67.1163.5000110.2D587 L591 F592 Q593 S695 Y698D587-I589 PolarHBondContact O-N 3.42Å; D587-I589 VanDerWaalsContact O-N 3.15Å; I589-L591 VanDerWaalsContact C-N 3.25Å; I589-L591 PolarHBondContact O-N 3.37Å; I589-F592 PolarHBondContact O-N 3.15Å; I589-F592 VanDerWaalsContact O-N 3.08Å; I589-Q593 PolarHBondContact O-N 3.11Å; I589-S695 WeakPolarHBondContact CG1-O 3.28Å; I589-Y698 WeakPolarHBondContact CG2-O 3.34Å
590N79.8Confident73.7Confident41 Ų4147.8 Ų47.822%0.21924%0.242CC..Hα-helixtrans-64.4-31.1-176.5-66.3-30.9000111.6P585 D587 Q593 L594P585-N590 HydrophobicContact CB-CB 3.5Å; P585-N590 VanDerWaalsContact CB-CB 3.5Å; P585-N590 VanDerWaalsContact CG-C 3.46Å; P585-N590 HydrophobicContact CG-CB 3.55Å; D587-N590 HydrophobicContact CB-CB 4.28Å; D587-N590 PolarHBondContact O-N 3.2Å; D587-N590 VanDerWaalsContact O-N 3.12Å; D587-N590 PolarHBondContact OD2-ND2 3.44Å; N590-Q593 PolarHBondContact O-N 2.89Å; N590-L594 PolarHBondContact O-N 2.97Å
591L80.8Confident74.7Confident0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-70.9-39.6173.9-162.472.2000111.8Y560 L563 L564 I567 Y584 P585 D587 I589 Q593 L594 R595Y560-L591 HydrophobicContact CD2-CD2 3.71Å; Y560-L591 HydrophobicContact CE2-CB 4.27Å; Y560-L591 HydrophobicContact CE2-CD2 3.54Å; Y560-L591 HydrophobicContact CE2-CG 4.36Å; Y560-L591 HydrophobicContact CG-CD2 4.3Å; L563-L591 HydrophobicContact CD2-CB 3.98Å; L563-L591 HydrophobicContact CD2-CD2 3.57Å; L563-L591 HydrophobicContact CD2-CG 3.5Å; L563-L591 VanDerWaalsContact CD2-CG 3.5Å; L564-L591 HydrophobicContact CB-CD2 4.15Å; L564-L591 HydrophobicContact CD1-CD1 4.13Å; L564-L591 HydrophobicContact CD1-CD2 3.97Å; I567-L591 HydrophobicContact CD1-CD1 3.91Å; I567-L591 HydrophobicContact CD1-CD2 4.47Å; I567-L591 HydrophobicContact CD1-CG 3.77Å; I567-L591 WeakPolarHBondContact CD1-O 3.4Å; Y584-L591 HydrophobicContact CD1-CD1 3.92Å; Y584-L591 HydrophobicContact CG-CD1 4.45Å; P585-L591 HydrophobicContact CG-CB 4.41Å; P585-L591 HydrophobicContact CG-CD1 4.37Å; D587-L591 PolarHBondContact O-N 3.01Å; I589-L591 VanDerWaalsContact C-N 3.25Å; I589-L591 PolarHBondContact O-N 3.37Å; L591-Q593 VanDerWaalsContact C-N 3.34Å; L591-L594 PolarHBondContact O-N 3.2Å; L591-R595 PolarHBondContact O-N 3.38Å; L591-R595 VanDerWaalsContact O-N 3.09Å
592F84.1Confident75.6Confident3 Ų346 Ų461%0.01323%0.228CC..Hα-helixtrans-64.7-36.1171.9179.7-115.8000112.2L563 L588 I589 L594 R595 L596 Y677 F691 Y696L563-F592 HydrophobicContact CD1-CB 3.85Å; L563-F592 HydrophobicContact CD1-CD2 3.86Å; L563-F592 HydrophobicContact CD1-CG 4.31Å; L588-F592 WeakPolarHBondContact O-CB 3.4Å; L588-F592 PolarHBondContact O-N 2.77Å; I589-F592 PolarHBondContact O-N 3.15Å; I589-F592 VanDerWaalsContact O-N 3.08Å; F592-L594 VanDerWaalsContact C-N 3.32Å; F592-L594 PolarHBondContact O-N 3.15Å; F592-R595 CarbonylContact O-C 3.52Å; F592-R595 WeakPolarHBondContact O-CA 3.5Å; F592-R595 WeakPolarHBondContact O-CB 3.43Å; F592-R595 PolarHBondContact O-N 3.09Å; F592-R595 VanDerWaalsContact O-N 3.08Å; F592-L596 HydrophobicContact CD1-CD1 4.06Å; F592-L596 HydrophobicContact CD1-CG 4.33Å; F592-L596 HydrophobicContact CE1-CD1 3.52Å; F592-L596 HydrophobicContact CE1-CD2 4.31Å; F592-L596 HydrophobicContact CE1-CG 3.88Å; F592-L596 HydrophobicContact CE2-CD2 4.16Å; F592-L596 HydrophobicContact CE2-CG 4.13Å; F592-L596 HydrophobicContact CZ-CD1 3.87Å; F592-L596 HydrophobicContact CZ-CD2 3.77Å; F592-L596 HydrophobicContact CZ-CG 3.77Å; F592-L596 PolarHBondContact O-N 3.24Å; F592-Y677 HydrophobicContact CE2-CD1 4.43Å; F592-Y677 AromaticContact CE2-CD2 3.95Å; F592-Y677 HydrophobicContact CE2-CD2 3.95Å; F592-Y677 HydrophobicContact CE2-CE2 4.47Å; F592-Y677 AromaticContact CE2-CG 3.95Å; F592-Y677 HydrophobicContact CE2-CG 3.95Å; F592-F691 HydrophobicContact CE1-CE1 4.28Å; F592-F691 AromaticContact CZ-CE1 3.82Å; F592-F691 HydrophobicContact CZ-CE1 3.82Å; F592-F691 HydrophobicContact CZ-CZ 4.45Å; F592-Y696 HydrophobicContact CB-CD1 3.74Å; F592-Y696 HydrophobicContact CB-CE1 4.08Å; F592-Y696 AromaticContact CD1-CD1 3.95Å; F592-Y696 HydrophobicContact CD1-CD1 3.95Å; F592-Y696 HydrophobicContact CD1-CG 4.17Å; F592-Y696 AromaticContact CD2-CD1 3.91Å; F592-Y696 HydrophobicContact CD2-CD1 3.91Å; F592-Y696 HydrophobicContact CD2-CE1 4.25Å; F592-Y696 HydrophobicContact CD2-CG 4.22Å; F592-Y696 HydrophobicContact CE1-CG 4.32Å; F592-Y696 WeakPolarHBondContact CE1-O 3.46Å; F592-Y696 HydrophobicContact CE2-CG 4.38Å; F592-Y696 AromaticContact CG-CD1 3.58Å; F592-Y696 HydrophobicContact CG-CD1 3.58Å; F592-Y696 HydrophobicContact CG-CE1 4.19Å; F592-Y696 HydrophobicContact CG-CG 4.11Å; F592-Y696 HydrophobicContact CZ-CG 4.43Å
593Q78.4Confident76.4Confident36 Ų3639.4 Ų39.417%0.16819%0.193CC..Hα-helixtrans-59.2-40.8171.4-70.2-169-23.800112.6I589 N590 L591 R595 L596 K597 N699I589-Q593 PolarHBondContact O-N 3.11Å; N590-Q593 PolarHBondContact O-N 2.89Å; L591-Q593 VanDerWaalsContact C-N 3.34Å; Q593-R595 VanDerWaalsContact C-N 3.34Å; Q593-L596 PolarHBondContact O-N 2.72Å; Q593-K597 WeakPolarHBondContact O-CB 3.45Å; Q593-K597 WeakPolarHBondContact O-CG 3.44Å; Q593-K597 PolarHBondContact O-N 2.9Å; Q593-N699 WeakPolarHBondContact CG-OD1 3.2Å; Q593-N699 PolarHBondContact NE2-OD1 2.76Å
594L79.9Confident76.6Confident42 Ų4240.9 Ų40.922%0.2220%0.197CC..Hα-helixtrans-63.8-38.6172.8-68.5-177.2000112I567 P581 Y584 P585 N590 L591 F592 K597 Q598I567-L594 HydrophobicContact CD1-CB 4.46Å; P581-L594 HydrophobicContact CG-CD1 3.7Å; P581-L594 HydrophobicContact CG-CD2 4.1Å; Y584-L594 HydrophobicContact CD1-CD1 4.19Å; P585-L594 VanDerWaalsContact CD-CD1 3.42Å; P585-L594 HydrophobicContact CG-CD1 4.04Å; N590-L594 PolarHBondContact O-N 2.97Å; L591-L594 PolarHBondContact O-N 3.2Å; F592-L594 VanDerWaalsContact C-N 3.32Å; F592-L594 PolarHBondContact O-N 3.15Å; L594-K597 PolarHBondContact O-N 3.18Å; L594-Q598 WeakPolarHBondContact O-CB 3.34Å; L594-Q598 PolarHBondContact O-N 3.14Å
595R80.6Confident76.2Confident1 Ų146.7 Ų46.70%0.00423%0.225CC..Hα-helixtrans-63.6-41.8174.5-178.157.8-179.1168.52.8112.2L563 D566 I567 T570 L591 F592 Q593 Q598 I599 Y672 Y677L563-R595 HydrophobicContact CD2-CB 4.36Å; D566-R595 PolarHBondContact O-NH1 3.1Å; I567-R595 HydrophobicContact CD1-CB 4.06Å; I567-R595 HydrophobicContact CG1-CB 3.85Å; I567-R595 HydrophobicContact CG1-CG 4.31Å; T570-R595 VanDerWaalsContact CB-NH1 3.26Å; T570-R595 PolarHBondContact OG1-NH1 2.93Å; T570-R595 PolarHBondContact OG1-NH2 3.28Å; L591-R595 PolarHBondContact O-N 3.38Å; L591-R595 VanDerWaalsContact O-N 3.09Å; F592-R595 CarbonylContact O-C 3.52Å; F592-R595 WeakPolarHBondContact O-CA 3.5Å; F592-R595 WeakPolarHBondContact O-CB 3.43Å; F592-R595 PolarHBondContact O-N 3.09Å; F592-R595 VanDerWaalsContact O-N 3.08Å; Q593-R595 VanDerWaalsContact C-N 3.34Å; R595-Q598 WeakPolarHBondContact O-CB 3.38Å; R595-Q598 PolarHBondContact O-N 3.03Å; R595-I599 HydrophobicContact CG-CD1 4.07Å; R595-I599 WeakPolarHBondContact O-CG1 3.4Å; R595-I599 PolarHBondContact O-N 3.39Å; R595-Y672 PolarHBondContact NH2-O 2.84Å; R595-Y677 HydrophobicContact CG-CE2 4.09Å; R595-Y677 PolarHBondContact NE-OH 3.5Å
596L80.2Confident75.8Confident42 Ų4249.2 Ų49.222%0.2223%0.234CC..Hα-helixtrans-64.6-44.2174.4-73-179.1000111.9F592 Q593 Q598 I599 Y600 M617F592-L596 HydrophobicContact CD1-CD1 4.06Å; F592-L596 HydrophobicContact CD1-CG 4.33Å; F592-L596 HydrophobicContact CE1-CD1 3.52Å; F592-L596 HydrophobicContact CE1-CD2 4.31Å; F592-L596 HydrophobicContact CE1-CG 3.88Å; F592-L596 HydrophobicContact CE2-CD2 4.16Å; F592-L596 HydrophobicContact CE2-CG 4.13Å; F592-L596 HydrophobicContact CZ-CD1 3.87Å; F592-L596 HydrophobicContact CZ-CD2 3.77Å; F592-L596 HydrophobicContact CZ-CG 3.77Å; F592-L596 PolarHBondContact O-N 3.24Å; Q593-L596 PolarHBondContact O-N 2.72Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 PolarHBondContact O-N 3.39Å; L596-I599 PolarHBondContact O-N 2.94Å; L596-Y600 WeakPolarHBondContact O-CB 3.23Å; L596-Y600 PolarHBondContact O-N 3.48Å; L596-M617 HydrophobicContact CD2-CG 4.49Å
597K78.8Confident75.6Confident136 Ų13650.6 Ų50.659%0.59124%0.242SC*.Hα-helixtrans-59.9-41.5174.5-73.9174.9178177.50111.3Q593 L594 Y600 T601Q593-K597 WeakPolarHBondContact O-CB 3.45Å; Q593-K597 WeakPolarHBondContact O-CG 3.44Å; Q593-K597 PolarHBondContact O-N 2.9Å; L594-K597 PolarHBondContact O-N 3.18Å; K597-Y600 PolarHBondContact O-N 3.33Å; K597-T601 WeakPolarHBondContact O-CG2 3.25Å; K597-T601 PolarHBondContact O-N 3.47Å; K597-T601 PolarHBondContact O-OG1 3.36Å
598Q77.3Confident75.6Confident12 Ų1252.1 Ų52.16%0.05625%0.249CC..Hα-helixtrans-59.9-51.5174.1-167.3-174.428.800111.6I567 I578 L594 R595 L596 Y600 T601 I602I567-Q598 PolarHBondContact O-NE2 3.36Å; I578-Q598 HydrophobicContact CD1-CG 3.71Å; L594-Q598 WeakPolarHBondContact O-CB 3.34Å; L594-Q598 PolarHBondContact O-N 3.14Å; R595-Q598 WeakPolarHBondContact O-CB 3.38Å; R595-Q598 PolarHBondContact O-N 3.03Å; L596-Q598 VanDerWaalsContact C-N 3.32Å; L596-Q598 PolarHBondContact O-N 3.39Å; Q598-Y600 VanDerWaalsContact C-N 3.34Å; Q598-Y600 PolarHBondContact O-N 3.03Å; Q598-T601 WeakPolarHBondContact CA-OG1 3.45Å; Q598-T601 PolarHBondContact O-N 3Å; Q598-T601 PolarHBondContact O-OG1 3.11Å; Q598-I602 HydrophobicContact CG-CD1 4.35Å; Q598-I602 WeakPolarHBondContact O-CG1 3.47Å; Q598-I602 PolarHBondContact O-N 3.13Å; Q598-I602 VanDerWaalsContact O-N 3.11Å
599I77.8Confident75.1Confident2 Ų252.2 Ų52.21%0.0125%0.249CC..Hα-helixtrans-59.3-43.9177.8-71.1167000111.2R595 L596 T601 I602 L603 L614 Y672 I674 Y677R595-I599 HydrophobicContact CG-CD1 4.07Å; R595-I599 WeakPolarHBondContact O-CG1 3.4Å; R595-I599 PolarHBondContact O-N 3.39Å; L596-I599 PolarHBondContact O-N 2.94Å; I599-T601 PolarHBondContact O-N 2.93Å; I599-I602 PolarHBondContact O-N 3.23Å; I599-L603 HydrophobicContact CG2-CD1 3.77Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 PolarHBondContact O-N 3.38Å; I599-L614 HydrophobicContact CG2-CD2 3.97Å; I599-Y672 HydrophobicContact CG2-CD1 4.31Å; I599-I674 HydrophobicContact CD1-CG1 4.24Å; I599-I674 HydrophobicContact CG2-CD1 4.4Å; I599-Y677 HydrophobicContact CD1-CE2 4.47Å
600Y77.5Confident74.5Confident112 Ų11250.8 Ų50.844%0.43924%0.242SC..Hα-helixtrans-60.5-43.2176-175.5-85.1000112.1L596 K597 Q598 I602 L603 K604 I611 L614L596-Y600 WeakPolarHBondContact O-CB 3.23Å; L596-Y600 PolarHBondContact O-N 3.48Å; K597-Y600 PolarHBondContact O-N 3.33Å; Q598-Y600 VanDerWaalsContact C-N 3.34Å; Q598-Y600 PolarHBondContact O-N 3.03Å; Y600-I602 PolarHBondContact O-N 3.18Å; Y600-L603 PolarHBondContact O-N 3.37Å; Y600-K604 WeakPolarHBondContact O-CB 3.11Å; Y600-K604 PolarHBondContact O-N 3.01Å; Y600-I611 HydrophobicContact CD2-CG2 3.9Å; Y600-I611 HydrophobicContact CE2-CG2 3.32Å; Y600-L614 HydrophobicContact CD2-CD1 3.84Å; Y600-L614 HydrophobicContact CG-CD1 4.42Å
601T74.5Confident74.2Confident51 Ų5149.5 Ų49.531%0.31324%0.235SC..Hα-helixtrans-66-33.4177.4490000113.9I578 K597 Q598 I599I578-T601 WeakPolarHBondContact CD1-OG1 3.41Å; K597-T601 WeakPolarHBondContact O-CG2 3.25Å; K597-T601 PolarHBondContact O-N 3.47Å; K597-T601 PolarHBondContact O-OG1 3.36Å; Q598-T601 WeakPolarHBondContact CA-OG1 3.45Å; Q598-T601 PolarHBondContact O-N 3Å; Q598-T601 PolarHBondContact O-OG1 3.11Å; I599-T601 PolarHBondContact O-N 2.93Å
602I74.1Confident74Confident13 Ų1351.2 Ų51.27%0.06724%0.243CC..Hα-helixtrans-69.6-48174.4-59.1157.1000109.5T570 T574 I576 I578 Q598 I599 Y600 K604 Q605 Y672T570-I602 HydrophobicContact CG2-CD1 3.52Å; T574-I602 HydrophobicContact CG2-CD1 4.31Å; T574-I602 HydrophobicContact CG2-CG1 4.49Å; I576-I602 HydrophobicContact CD1-CB 4.32Å; I576-I602 HydrophobicContact CD1-CG1 4.01Å; I576-I602 HydrophobicContact CD1-CG2 4.31Å; I578-I602 HydrophobicContact CD1-CG1 4.36Å; Q598-I602 HydrophobicContact CG-CD1 4.35Å; Q598-I602 WeakPolarHBondContact O-CG1 3.47Å; Q598-I602 PolarHBondContact O-N 3.13Å; Q598-I602 VanDerWaalsContact O-N 3.11Å; I599-I602 PolarHBondContact O-N 3.23Å; Y600-I602 PolarHBondContact O-N 3.18Å; I602-K604 PolarHBondContact O-N 2.97Å; I602-Q605 WeakPolarHBondContact O-CB 3.42Å; I602-Q605 PolarHBondContact O-N 2.87Å; I602-Y672 HydrophobicContact CB-CE1 4.31Å; I602-Y672 HydrophobicContact CG2-CE1 3.82Å
603L72.6Confident73.7Confident0 Ų051.1 Ų51.10%024%0.243CC..Hα-helixtrans-65.5-24.8-179.4-82.8163.2000113.9I599 Y600 Q605 E606 I610 I611 L614 L666 Y672I599-L603 HydrophobicContact CG2-CD1 3.77Å; I599-L603 WeakPolarHBondContact O-CB 3.48Å; I599-L603 PolarHBondContact O-N 3.38Å; Y600-L603 PolarHBondContact O-N 3.37Å; L603-Q605 PolarHBondContact O-N 3.03Å; L603-Q605 VanDerWaalsContact O-N 3.11Å; L603-E606 PolarHBondContact O-N 3.32Å; L603-E606 VanDerWaalsContact O-N 3.17Å; L603-I610 HydrophobicContact CD2-CB 3.93Å; L603-I610 HydrophobicContact CD2-CG2 3.43Å; L603-I610 VanDerWaalsContact CD2-CG2 3.43Å; L603-I611 HydrophobicContact CB-CG1 4.47Å; L603-I611 WeakPolarHBondContact O-CG1 3.32Å; L603-L614 HydrophobicContact CD1-CD1 3.73Å; L603-L614 HydrophobicContact CD1-CD2 3.7Å; L603-L614 HydrophobicContact CD1-CG 3.77Å; L603-L666 HydrophobicContact CD1-CD1 3.56Å; L603-L666 HydrophobicContact CD2-CD1 4.4Å; L603-Y672 HydrophobicContact CD1-CE1 4.3Å; L603-Y672 HydrophobicContact CD1-CE2 4.48Å; L603-Y672 HydrophobicContact CD2-CE1 4.18Å; L603-Y672 HydrophobicContact CD2-CE2 3.87Å; L603-Y672 WeakPolarHBondContact CD2-OH 3.39Å; L603-Y672 HydrophobicContact CG-CE1 3.83Å; L603-Y672 HydrophobicContact CG-CE2 4.29Å
604K69.1Low73.7Confident146 Ų14650.4 Ų50.464%0.63524%0.24SC*.Hα-helixtrans-60.4-16.5172.2-166.3168.1-177.6176.50113.5Y600 I602 I611Y600-K604 WeakPolarHBondContact O-CB 3.11Å; Y600-K604 PolarHBondContact O-N 3.01Å; I602-K604 PolarHBondContact O-N 2.97Å; K604-I611 HydrophobicContact CB-CD1 4.23Å; K604-I611 HydrophobicContact CG-CD1 4.18Å
605Q63Low73.7Confident136 Ų13650.8 Ų50.864%0.63624%0.239SC*.Hα-helixtrans-97.4-24.5175.7-59.1-175.6-10.900114.1I576 I602 L603I576-Q605 VanDerWaalsContact CD1-OE1 3.27Å; I602-Q605 WeakPolarHBondContact O-CB 3.42Å; I602-Q605 PolarHBondContact O-N 2.87Å; L603-Q605 PolarHBondContact O-N 3.03Å; L603-Q605 VanDerWaalsContact O-N 3.11Å
606E62.1Low73.7Confident85 Ų8550.8 Ų50.840%0.39724%0.238SC..Hα-helixtrans-75.8-64.7180-78.3-154147.500112.2L603 K665 Y672L603-E606 PolarHBondContact O-N 3.32Å; L603-E606 VanDerWaalsContact O-N 3.17Å; E606-K665 VanDerWaalsContact CD-NZ 3.27Å; E606-K665 IonicContact OE1-NZ 3.48Å; E606-K665 PolarHBondContact OE1-NZ 3.26Å; E606-K665 IonicContact OE2-NZ 2.77Å; E606-K665 PolarHBondContact OE2-NZ 3.12Å; E606-Y672 PolarHBondContact OE2-OH 3.23Å
607N66.4Low73.8Confident73 Ų7349.2 Ų49.239%0.3923%0.23SC..  trans-168132.3-173.6-169.4-33000111.4L609 I610 I611N607-L609 PolarHBondContact O-N 3.05Å; N607-L609 VanDerWaalsContact O-N 3.09Å; N607-L609 PolarHBondContact OD1-N 3.43Å; N607-I610 HydrophobicContact CB-CD1 3.99Å; N607-I610 HydrophobicContact CB-CG1 4.05Å; N607-I610 PolarHBondContact O-N 2.6Å; N607-I611 PolarHBondContact O-N 2.64Å
608L69.9Low73.8Confident106 Ų10645.3 Ų45.356%0.55522%0.219SC*.Hα-helixtrans-47.7-37.7175.5-107.7142.9000113.7I610 I611 E612 I645L608-I610 VanDerWaalsContact C-N 3.35Å; L608-I610 PolarHBondContact O-N 2.85Å; L608-I611 HydrophobicContact CG-CD1 4.39Å; L608-E612 PolarHBondContact O-N 2.85Å; L608-I645 HydrophobicContact CD2-CD1 3.99Å
609L69.5Low73.9Confident15 Ų1547.2 Ų47.28%0.07923%0.226CC..Hα-helixtrans-65.2-35.2178.1-172.761.2000112.9N607 L613 I645 R646 L649 P659N607-L609 PolarHBondContact O-N 3.05Å; N607-L609 VanDerWaalsContact O-N 3.09Å; N607-L609 PolarHBondContact OD1-N 3.43Å; L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.47Å; L609-L613 PolarHBondContact O-N 3.48Å; L609-L613 VanDerWaalsContact O-N 3.08Å; L609-I645 HydrophobicContact CD1-CG2 4.39Å; L609-R646 HydrophobicContact CD1-CG 4.46Å; L609-L649 HydrophobicContact CB-CD1 3.93Å; L609-L649 HydrophobicContact CD1-CD1 4.2Å; L609-L649 HydrophobicContact CD2-CD1 4.11Å; L609-L649 HydrophobicContact CG-CD1 4.32Å; L609-P659 HydrophobicContact CD1-CG 4.45Å; L609-P659 HydrophobicContact CD2-CB 4.19Å; L609-P659 HydrophobicContact CD2-CG 4.04Å; L609-P659 HydrophobicContact CG-CG 4.38Å
610I68.7Low74.2Confident14 Ų1447.1 Ų47.17%0.07223%0.225CC..Hα-helixtrans-83.2-30.9-176.8-46.1171.1000110.8L603 N607 L608 E612 L613 L614 L666L603-I610 HydrophobicContact CD2-CB 3.93Å; L603-I610 HydrophobicContact CD2-CG2 3.43Å; L603-I610 VanDerWaalsContact CD2-CG2 3.43Å; N607-I610 HydrophobicContact CB-CD1 3.99Å; N607-I610 HydrophobicContact CB-CG1 4.05Å; N607-I610 PolarHBondContact O-N 2.6Å; L608-I610 VanDerWaalsContact C-N 3.35Å; L608-I610 PolarHBondContact O-N 2.85Å; I610-E612 VanDerWaalsContact C-N 3.28Å; I610-E612 PolarHBondContact O-N 3.42Å; I610-L613 PolarHBondContact O-N 3.06Å; I610-L614 PolarHBondContact O-N 2.83Å; I610-L666 HydrophobicContact CG2-CB 4.39Å; I610-L666 HydrophobicContact CG2-CD1 4.19Å; I610-L666 HydrophobicContact CG2-CD2 4.41Å
611I72.5Confident74.1Confident15 Ų1542.4 Ų42.48%0.07721%0.21CC..Hα-helixtrans-54-49.7167.2-51170.2000109.6Y600 L603 K604 N607 L608 L614Y600-I611 HydrophobicContact CD2-CG2 3.9Å; Y600-I611 HydrophobicContact CE2-CG2 3.32Å; L603-I611 HydrophobicContact CB-CG1 4.47Å; L603-I611 WeakPolarHBondContact O-CG1 3.32Å; K604-I611 HydrophobicContact CB-CD1 4.23Å; K604-I611 HydrophobicContact CG-CD1 4.18Å; N607-I611 PolarHBondContact O-N 2.64Å; L608-I611 HydrophobicContact CG-CD1 4.39Å; I611-L614 WeakPolarHBondContact O-CB 3.2Å; I611-L614 WeakPolarHBondContact O-CG 3.24Å; I611-L614 PolarHBondContact O-N 2.65Å
612E77.2Confident74Confident36 Ų3642.8 Ų42.817%0.16821%0.213CC..Hα-helixtrans-81.1-20.2-171.6-69.1-101.3178.600112.2L608 I610 L614 R615 I642 I645L608-E612 PolarHBondContact O-N 2.85Å; I610-E612 VanDerWaalsContact C-N 3.28Å; I610-E612 PolarHBondContact O-N 3.42Å; E612-L614 PolarHBondContact O-N 3.4Å; E612-R615 WeakPolarHBondContact O-CB 3.22Å; E612-R615 VanDerWaalsContact O-CG 3.3Å; E612-R615 WeakPolarHBondContact O-CG 3.44Å; E612-R615 PolarHBondContact O-N 3.43Å; E612-R615 IonicContact OE1-NH2 2.61Å; E612-R615 PolarHBondContact OE1-NH2 3.27Å; E612-R615 IonicContact OE2-CZ 3.33Å; E612-R615 IonicContact OE2-NE 2.75Å; E612-R615 PolarHBondContact OE2-NE 3.32Å; E612-R615 IonicContact OE2-NH2 3.65Å; E612-R615 PolarHBondContact OE2-NH2 3.47Å; E612-I642 HydrophobicContact CB-CG1 4.31Å; E612-I645 HydrophobicContact CB-CD1 4.14Å; E612-I645 HydrophobicContact CG-CD1 3.45Å; E612-I645 VanDerWaalsContact CG-CD1 3.45Å
613L78.5Confident74.2Confident1 Ų142.1 Ų42.11%0.00521%0.21CC..Hα-helixtrans-62.7-21.4161.8-74.3171.3000113.1L609 I610 R615 F616 L636 F658 P659 C662 L663 L666L609-L613 VanDerWaalsContact O-CG 3.29Å; L609-L613 WeakPolarHBondContact O-CG 3.47Å; L609-L613 PolarHBondContact O-N 3.48Å; L609-L613 VanDerWaalsContact O-N 3.08Å; I610-L613 PolarHBondContact O-N 3.06Å; L613-R615 PolarHBondContact O-N 3.39Å; L613-R615 VanDerWaalsContact O-N 3.1Å; L613-F616 WeakPolarHBondContact O-CB 3.48Å; L613-F616 WeakPolarHBondContact O-CD1 3.44Å; L613-F616 PolarHBondContact O-N 2.91Å; L613-F616 VanDerWaalsContact O-N 3.1Å; L613-L636 HydrophobicContact CD2-CD1 4.08Å; L613-F658 HydrophobicContact CD2-CE1 4.3Å; L613-F658 HydrophobicContact CD2-CE2 4.23Å; L613-F658 HydrophobicContact CD2-CZ 3.53Å; L613-P659 HydrophobicContact CD1-CG 4.33Å; L613-C662 HydrophobicContact CD1-CB 3.78Å; L613-L663 HydrophobicContact CD1-CB 4.48Å; L613-L666 HydrophobicContact CB-CD2 3.89Å
614L78.1Confident74.4Confident20 Ų2042.9 Ų42.911%0.10521%0.213CC..THydrogen-bonded Turntrans-59.9-18.2172.4-72.1170.7000113.4I599 Y600 L603 I610 I611 E612 F616 M617 L666 I674I599-L614 HydrophobicContact CG2-CD2 3.97Å; Y600-L614 HydrophobicContact CD2-CD1 3.84Å; Y600-L614 HydrophobicContact CG-CD1 4.42Å; L603-L614 HydrophobicContact CD1-CD1 3.73Å; L603-L614 HydrophobicContact CD1-CD2 3.7Å; L603-L614 HydrophobicContact CD1-CG 3.77Å; I610-L614 PolarHBondContact O-N 2.83Å; I611-L614 WeakPolarHBondContact O-CB 3.2Å; I611-L614 WeakPolarHBondContact O-CG 3.24Å; I611-L614 PolarHBondContact O-N 2.65Å; E612-L614 PolarHBondContact O-N 3.4Å; L614-F616 PolarHBondContact O-N 2.95Å; L614-M617 WeakPolarHBondContact O-CB 3.3Å; L614-M617 PolarHBondContact O-N 3.44Å; L614-L666 HydrophobicContact CD2-CD1 4Å; L614-L666 HydrophobicContact CD2-CD2 4.26Å; L614-I674 HydrophobicContact CD2-CD1 4.41Å
615R78.5Confident74.7Confident51 Ų5136.1 Ų36.119%0.19218%0.183CC..THydrogen-bonded Turntrans-55.4-18.3172.5-67.3-176.3-171.4-86.7-7.5112.8E612 L613 M617 P618 Y619 L636 D639 N641E612-R615 WeakPolarHBondContact O-CB 3.22Å; E612-R615 VanDerWaalsContact O-CG 3.3Å; E612-R615 WeakPolarHBondContact O-CG 3.44Å; E612-R615 PolarHBondContact O-N 3.43Å; E612-R615 IonicContact OE1-NH2 2.61Å; E612-R615 PolarHBondContact OE1-NH2 3.27Å; E612-R615 IonicContact OE2-CZ 3.33Å; E612-R615 IonicContact OE2-NE 2.75Å; E612-R615 PolarHBondContact OE2-NE 3.32Å; E612-R615 IonicContact OE2-NH2 3.65Å; E612-R615 PolarHBondContact OE2-NH2 3.47Å; L613-R615 PolarHBondContact O-N 3.39Å; L613-R615 VanDerWaalsContact O-N 3.1Å; R615-M617 PolarHBondContact O-N 3.34Å; R615-P618 WeakPolarHBondContact O-CD 3.22Å; R615-P618 VanDerWaalsContact O-CG 3.25Å; R615-P618 WeakPolarHBondContact O-CG 3.47Å; R615-Y619 HydrophobicContact CB-CD2 4.22Å; R615-Y619 HydrophobicContact CB-CE2 3.84Å; R615-Y619 WeakPolarHBondContact O-CD2 3.49Å; R615-Y619 PolarHBondContact O-N 3.22Å; R615-Y619 VanDerWaalsContact O-N 3.14Å; R615-L636 HydrophobicContact CB-CD2 4.2Å; R615-D639 WeakPolarHBondContact CD-OD2 3.22Å; R615-D639 IonicContact NE-OD2 2.77Å; R615-N641 PolarHBondContact NH2-ND2 3.48Å
616F82.2Confident75.4Confident0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-58.5-26.8169.997.4-69.7000114.2L613 L614 I620 L632 L636 L663 L666 I667 I674 L678L613-F616 WeakPolarHBondContact O-CB 3.48Å; L613-F616 WeakPolarHBondContact O-CD1 3.44Å; L613-F616 PolarHBondContact O-N 2.91Å; L613-F616 VanDerWaalsContact O-N 3.1Å; L614-F616 PolarHBondContact O-N 2.95Å; F616-I620 HydrophobicContact CD2-CD1 3.58Å; F616-I620 HydrophobicContact CE2-CD1 3.88Å; F616-I620 WeakPolarHBondContact O-CB 3.42Å; F616-I620 VanDerWaalsContact O-CG1 3.26Å; F616-I620 WeakPolarHBondContact O-CG1 3.37Å; F616-I620 PolarHBondContact O-N 2.77Å; F616-L632 HydrophobicContact CB-CD1 4.03Å; F616-L632 HydrophobicContact CB-CD2 3.83Å; F616-L632 HydrophobicContact CB-CG 4.08Å; F616-L632 HydrophobicContact CD2-CD1 3.88Å; F616-L632 HydrophobicContact CD2-CD2 3.98Å; F616-L632 HydrophobicContact CD2-CG 4.49Å; F616-L632 HydrophobicContact CG-CD1 4.47Å; F616-L632 HydrophobicContact CG-CD2 4.31Å; F616-L636 HydrophobicContact CB-CD1 3.96Å; F616-L636 HydrophobicContact CB-CD2 4.38Å; F616-L663 HydrophobicContact CB-CD1 4.41Å; F616-L663 HydrophobicContact CD2-CD1 4.3Å; F616-L663 HydrophobicContact CG-CD1 4.21Å; F616-L666 HydrophobicContact CD1-CD2 4.03Å; F616-L666 HydrophobicContact CE1-CD2 3.69Å; F616-L666 HydrophobicContact CE1-CG 4.04Å; F616-I667 HydrophobicContact CD2-CD1 4.32Å; F616-I667 HydrophobicContact CD2-CG1 4.39Å; F616-I667 HydrophobicContact CE2-CD1 3.76Å; F616-I667 HydrophobicContact CE2-CG1 3.45Å; F616-I667 VanDerWaalsContact CE2-CG1 3.45Å; F616-I667 HydrophobicContact CZ-CD1 4.38Å; F616-I667 HydrophobicContact CZ-CG1 3.6Å; F616-I674 HydrophobicContact CZ-CG2 4.13Å; F616-L678 HydrophobicContact CE2-CD1 4.47Å
617M82.6Confident76.3Confident10 Ų1025.9 Ų25.95%0.04914%0.136CC..Hα-helixtrans-66.1-55.6175.8-63.5-79.874.500112.4L596 L614 R615 Y619 I620 A621 I674 L678 F691L596-M617 HydrophobicContact CD2-CG 4.49Å; L614-M617 WeakPolarHBondContact O-CB 3.3Å; L614-M617 PolarHBondContact O-N 3.44Å; R615-M617 PolarHBondContact O-N 3.34Å; M617-Y619 VanDerWaalsContact C-N 3.32Å; M617-Y619 PolarHBondContact O-N 3.32Å; M617-I620 HydrophobicContact CE-CD1 3.87Å; M617-I620 PolarHBondContact O-N 3.09Å; M617-A621 PolarHBondContact O-N 3.07Å; M617-I674 HydrophobicContact CE-CG2 4.15Å; M617-I674 HydrophobicContact SD-CG2 3.81Å; M617-L678 HydrophobicContact CE-CD1 4.41Å; M617-L678 HydrophobicContact CE-CD2 3.97Å; M617-F691 HydrophobicContact CE-CE1 4.36Å; M617-F691 HydrophobicContact CE-CZ 4.06Å; M617-F691 HydrophobicContact SD-CE1 4.29Å; M617-F691 HydrophobicContact SD-CZ 4.14Å
618P77.2Confident76.7Confident53 Ų5323.2 Ų23.234%0.34412%0.122SC..Hα-helixtrans-62.9-33.2173.119.9-29.8000113.3R615 I620 A621 C622R615-P618 WeakPolarHBondContact O-CD 3.22Å; R615-P618 VanDerWaalsContact O-CG 3.25Å; R615-P618 WeakPolarHBondContact O-CG 3.47Å; P618-I620 VanDerWaalsContact C-N 3.35Å; P618-I620 PolarHBondContact O-N 2.86Å; P618-A621 PolarHBondContact O-N 3.22Å; P618-A621 VanDerWaalsContact O-N 3.13Å; P618-C622 PolarHBondContact O-N 2.9Å; P618-C622 PolarHBondContact O-SG 2.88Å
619Y80.9Confident76.9Confident52 Ų5220.2 Ų20.220%0.20411%0.105CC..Hα-helixtrans-63.4-37.5172.9-68.2-52.2000112.6R615 M617 S623 I635 L636 D639R615-Y619 HydrophobicContact CB-CD2 4.22Å; R615-Y619 HydrophobicContact CB-CE2 3.84Å; R615-Y619 WeakPolarHBondContact O-CD2 3.49Å; R615-Y619 PolarHBondContact O-N 3.22Å; R615-Y619 VanDerWaalsContact O-N 3.14Å; M617-Y619 VanDerWaalsContact C-N 3.32Å; M617-Y619 PolarHBondContact O-N 3.32Å; Y619-S623 PolarHBondContact O-N 2.72Å; Y619-I635 HydrophobicContact CD1-CG2 3.67Å; Y619-I635 HydrophobicContact CD2-CG2 3.65Å; Y619-I635 HydrophobicContact CE1-CG2 3.67Å; Y619-I635 HydrophobicContact CE2-CG2 3.66Å; Y619-I635 HydrophobicContact CG-CG2 3.69Å; Y619-L636 HydrophobicContact CD2-CD2 3.93Å; Y619-L636 HydrophobicContact CE2-CD2 3.91Å; Y619-D639 PolarHBondContact OH-OD2 3.36Å
620I82.5Confident77Confident0 Ų024.3 Ų24.30%013%0.127CC..Hα-helixtrans-70.4-35.4170.6-67.8164.5000111.2F616 M617 P618 C622 S623 L627 L632 L678 I689 F691F616-I620 HydrophobicContact CD2-CD1 3.58Å; F616-I620 HydrophobicContact CE2-CD1 3.88Å; F616-I620 WeakPolarHBondContact O-CB 3.42Å; F616-I620 VanDerWaalsContact O-CG1 3.26Å; F616-I620 WeakPolarHBondContact O-CG1 3.37Å; F616-I620 PolarHBondContact O-N 2.77Å; M617-I620 HydrophobicContact CE-CD1 3.87Å; M617-I620 PolarHBondContact O-N 3.09Å; P618-I620 VanDerWaalsContact C-N 3.35Å; P618-I620 PolarHBondContact O-N 2.86Å; I620-C622 VanDerWaalsContact C-N 3.33Å; I620-C622 PolarHBondContact O-N 3.39Å; I620-S623 WeakPolarHBondContact O-CB 3.22Å; I620-S623 PolarHBondContact O-N 3.35Å; I620-S623 PolarHBondContact O-OG 3.36Å; I620-L627 HydrophobicContact CG1-CD1 4.32Å; I620-L632 HydrophobicContact CD1-CD1 3.65Å; I620-L632 HydrophobicContact CG1-CD1 3.63Å; I620-L678 HydrophobicContact CD1-CD2 4.43Å; I620-I689 HydrophobicContact CD1-CB 4.44Å; I620-I689 HydrophobicContact CD1-CG2 3.87Å; I620-F691 HydrophobicContact CB-CE2 4.08Å; I620-F691 HydrophobicContact CG2-CD2 3.74Å; I620-F691 HydrophobicContact CG2-CE2 3.7Å
621A75.9Confident77.3Confident14 Ų1424.4 Ų24.412%0.11613%0.127CC..Hα-helixtrans-65.8-35178.600000112.5M617 P618 S623 F691 R697M617-A621 PolarHBondContact O-N 3.07Å; P618-A621 PolarHBondContact O-N 3.22Å; P618-A621 VanDerWaalsContact O-N 3.13Å; A621-S623 VanDerWaalsContact C-N 3.27Å; A621-S623 PolarHBondContact O-N 2.93Å; A621-F691 HydrophobicContact CB-CE2 3.94Å; A621-R697 HydrophobicContact CB-CB 4.33Å; A621-R697 HydrophobicContact CB-CG 4.45Å; A621-R697 WeakPolarHBondContact O-CD 3.5Å
622C72.8Confident77.5Confident58 Ų5823.7 Ų23.739%0.39212%0.123SC..Hα-helixtrans-73.5-17.2172.8-59.50000113P618 I620 Q777P618-C622 PolarHBondContact O-N 2.9Å; P618-C622 PolarHBondContact O-SG 2.88Å; I620-C622 VanDerWaalsContact C-N 3.33Å; I620-C622 PolarHBondContact O-N 3.39Å; C622-Q777 WeakPolarHBondContact O-CG 3.33Å
623S78.7Confident77.2Confident0 Ų022.6 Ų22.60%012%0.118CC..  trans-82.1135179.778.40000112Y619 I620 A621 G626 R697 E773Y619-S623 PolarHBondContact O-N 2.72Å; I620-S623 WeakPolarHBondContact O-CB 3.22Å; I620-S623 PolarHBondContact O-N 3.35Å; I620-S623 PolarHBondContact O-OG 3.36Å; A621-S623 VanDerWaalsContact C-N 3.27Å; A621-S623 PolarHBondContact O-N 2.93Å; S623-G626 WeakPolarHBondContact OG-CA 3.41Å; S623-G626 PolarHBondContact OG-N 2.67Å; S623-R697 VanDerWaalsContact O-CZ 3.26Å; S623-R697 PolarHBondContact O-NH1 3.34Å; S623-R697 PolarHBondContact O-NH2 2.86Å; S623-E773 WeakPolarHBondContact CA-OE1 3.24Å; S623-E773 WeakPolarHBondContact CB-OE1 3.38Å
624R75.3Confident76.9Confident16 Ų1627.3 Ų27.36%0.0614%0.14CC..SBendtrans-70.9-44.2179.6-168.3173.3-174167.78.7113.1R697 E773 Y776R624-R697 PolarHBondContact O-NH1 3.21Å; R624-R697 PolarHBondContact O-NH2 2.62Å; R624-E773 HydrophobicContact CB-CG 4.44Å; R624-Y776 HydrophobicContact CB-CD1 3.59Å; R624-Y776 HydrophobicContact CB-CD2 4.18Å; R624-Y776 HydrophobicContact CB-CE1 3.97Å; R624-Y776 HydrophobicContact CB-CG 3.69Å; R624-Y776 HydrophobicContact CG-CD1 4.17Å; R624-Y776 HydrophobicContact CG-CD2 3.82Å; R624-Y776 HydrophobicContact CG-CE1 4.43Å; R624-Y776 HydrophobicContact CG-CE2 4.11Å; R624-Y776 HydrophobicContact CG-CG 3.84Å
625Y75.8Confident76.8Confident3 Ų328.9 Ų28.91%0.01215%0.148CC..SBendtrans-112.2-3.6-172.9-48.8-77.1000113.5G387 T389 F390 T393 L688 T690 R769 T772G387-Y625 WeakPolarHBondContact O-CD1 3.36Å; T389-Y625 WeakPolarHBondContact O-CE1 3.49Å; F390-Y625 HydrophobicContact CB-CE1 4.35Å; F390-Y625 HydrophobicContact CB-CE2 4.32Å; T393-Y625 HydrophobicContact CG2-CE1 3.64Å; T393-Y625 WeakPolarHBondContact CG2-OH 3.42Å; Y625-L688 WeakPolarHBondContact O-CD1 3.46Å; Y625-T690 WeakPolarHBondContact O-CB 3.38Å; Y625-R769 HydrophobicContact CD2-CG 3.86Å; Y625-T772 VanDerWaalsContact CE2-OG1 3.31Å; Y625-T772 WeakPolarHBondContact CE2-OG1 3.37Å; Y625-T772 WeakPolarHBondContact OH-CB 3.39Å
626G77.7Confident76.7Confident0 Ų026.4 Ų26.40%014%0.139CC..  trans96.4155.8-165.500000113.9S623 I689 T690 R769S623-G626 WeakPolarHBondContact OG-CA 3.41Å; S623-G626 PolarHBondContact OG-N 2.67Å; G626-I689 CarbonylContact C-O 3.49Å; G626-I689 WeakPolarHBondContact CA-O 3.24Å; G626-T690 PolarHBondContact N-OG1 3.41Å; G626-R769 PolarHBondContact O-NH1 2.97Å
627L81Confident76.1Confident6 Ų629.8 Ų29.83%0.03116%0.155CC..EExtended strand (participates in β ladder)trans-96.1146.4177.8-66.7172.6000110.5I620 L632 I635 I689I620-L627 HydrophobicContact CG1-CD1 4.32Å; L627-L632 HydrophobicContact CB-CB 4.31Å; L627-L632 HydrophobicContact CB-CD1 4.12Å; L627-L632 HydrophobicContact CD1-CD1 3.99Å; L627-I635 HydrophobicContact CD1-CD1 3.87Å; L627-I635 HydrophobicContact CD2-CD1 4.11Å; L627-I689 PolarHBondContact N-O 2.85Å; L627-I689 VanDerWaalsContact N-O 3.11Å; L627-I689 PolarHBondContact O-N 3.49Å
628T76.4Confident75.6Confident17 Ų1733.8 Ų33.810%0.10418%0.176CC..EExtended strand (participates in β ladder)trans-72.3150.3164.2600000109.8N630 E631 L632 R686 L688T628-N630 PolarHBondContact O-N 3.28Å; T628-E631 PolarHBondContact N-OE2 3.01Å; T628-E631 PolarHBondContact O-N 2.94Å; T628-E631 WeakPolarHBondContact OG1-CB 3.43Å; T628-E631 VanDerWaalsContact OG1-CD 3.25Å; T628-E631 VanDerWaalsContact OG1-CG 3.24Å; T628-E631 WeakPolarHBondContact OG1-CG 3.25Å; T628-E631 PolarHBondContact OG1-N 2.94Å; T628-E631 PolarHBondContact OG1-OE2 3.16Å; T628-L632 WeakPolarHBondContact O-CB 3.41Å; T628-L632 PolarHBondContact O-N 3.04Å; T628-R686 HydrophobicContact CG2-CB 3.96Å; T628-R686 HydrophobicContact CG2-CG 4.4Å; T628-L688 HydrophobicContact CG2-CD2 3.63Å
629F73.4Confident75.4Confident44 Ų4431.7 Ų31.719%0.19316%0.162CC..Hα-helixtrans-55.9-36.2179.4-169.7-106.4000113.2I633 I660 L663 L664 I667 I689F629-I633 HydrophobicContact CD1-CD1 3.71Å; F629-I633 HydrophobicContact CE1-CD1 3.46Å; F629-I633 VanDerWaalsContact CE1-CD1 3.46Å; F629-I633 HydrophobicContact CE1-CG1 4.28Å; F629-I633 HydrophobicContact CZ-CD1 4.11Å; F629-I633 HydrophobicContact CZ-CG1 4.47Å; F629-I633 WeakPolarHBondContact O-CD1 3.41Å; F629-I633 VanDerWaalsContact O-CG1 3.31Å; F629-I633 WeakPolarHBondContact O-CG1 3.37Å; F629-I633 PolarHBondContact O-N 3.5Å; F629-I660 HydrophobicContact CE1-CG2 3.79Å; F629-I660 HydrophobicContact CZ-CG2 4.09Å; F629-L663 HydrophobicContact CD2-CD2 4.35Å; F629-L663 HydrophobicContact CE2-CD2 3.48Å; F629-L663 VanDerWaalsContact CE2-CD2 3.48Å; F629-L663 HydrophobicContact CE2-CG 3.75Å; F629-L663 HydrophobicContact CZ-CD2 3.65Å; F629-L663 HydrophobicContact CZ-CG 4.05Å; F629-L664 HydrophobicContact CD2-CD2 4.33Å; F629-L664 HydrophobicContact CE1-CD1 4.46Å; F629-L664 HydrophobicContact CE1-CD2 3.92Å; F629-L664 HydrophobicContact CE1-CG 4.16Å; F629-L664 HydrophobicContact CE2-CD2 3.58Å; F629-L664 HydrophobicContact CE2-CG 4.11Å; F629-L664 HydrophobicContact CZ-CD1 4.27Å; F629-L664 HydrophobicContact CZ-CD2 3.37Å; F629-L664 HydrophobicContact CZ-CG 3.52Å; F629-I667 HydrophobicContact CD2-CD1 4.36Å; F629-I667 HydrophobicContact CE2-CD1 3.99Å; F629-I689 HydrophobicContact CD2-CD1 4.15Å
630N70.2Confident75.1Confident100 Ų10032 Ų3254%0.53517%0.167SC..Hα-helixtrans-69.9-35.9176.9-69.6-4.8000113.5T628 H634T628-N630 PolarHBondContact O-N 3.28Å; N630-H634 PolarHBondContact O-N 3.43Å
631E75.4Confident74.6Confident16 Ų1633 Ų338%0.07517%0.173CC..Hα-helixtrans-73.5-37.7175.9-73169.8142.600111.5T628 I633 H634 I635 R769 R770T628-E631 PolarHBondContact N-OE2 3.01Å; T628-E631 PolarHBondContact O-N 2.94Å; T628-E631 WeakPolarHBondContact OG1-CB 3.43Å; T628-E631 VanDerWaalsContact OG1-CD 3.25Å; T628-E631 VanDerWaalsContact OG1-CG 3.24Å; T628-E631 WeakPolarHBondContact OG1-CG 3.25Å; T628-E631 PolarHBondContact OG1-N 2.94Å; T628-E631 PolarHBondContact OG1-OE2 3.16Å; E631-I633 VanDerWaalsContact C-N 3.31Å; E631-I633 PolarHBondContact O-N 3.26Å; E631-H634 CarbonylContact O-C 3.58Å; E631-H634 PolarHBondContact O-N 2.95Å; E631-I635 VanDerWaalsContact O-CG1 3.29Å; E631-I635 WeakPolarHBondContact O-CG1 3.09Å; E631-I635 PolarHBondContact O-N 3.44Å; E631-R769 IonicContact OE1-NH2 3.3Å; E631-R769 PolarHBondContact OE1-NH2 2.84Å; E631-R769 IonicContact OE2-CZ 2.73Å; E631-R769 IonicContact OE2-NH1 3.89Å; E631-R769 PolarHBondContact OE2-NH1 3.27Å; E631-R769 IonicContact OE2-NH2 3.9Å; E631-R769 PolarHBondContact OE2-NH2 3.4Å; E631-R770 IonicContact OE1-CZ 2.7Å; E631-R770 VanDerWaalsContact OE1-CZ 3.31Å; E631-R770 IonicContact OE1-NE 2.81Å; E631-R770 PolarHBondContact OE1-NE 3.35Å; E631-R770 IonicContact OE1-NH2 3.41Å; E631-R770 PolarHBondContact OE1-NH2 3.46Å
632L76.4Confident74.5Confident1 Ų132.5 Ų32.51%0.00517%0.167CC..Hα-helixtrans-62.2-41.4174.6-167.1131.6000110.7F616 I620 L627 T628 L636 L663F616-L632 HydrophobicContact CB-CD1 4.03Å; F616-L632 HydrophobicContact CB-CD2 3.83Å; F616-L632 HydrophobicContact CB-CG 4.08Å; F616-L632 HydrophobicContact CD2-CD1 3.88Å; F616-L632 HydrophobicContact CD2-CD2 3.98Å; F616-L632 HydrophobicContact CD2-CG 4.49Å; F616-L632 HydrophobicContact CG-CD1 4.47Å; F616-L632 HydrophobicContact CG-CD2 4.31Å; I620-L632 HydrophobicContact CD1-CD1 3.65Å; I620-L632 HydrophobicContact CG1-CD1 3.63Å; L627-L632 HydrophobicContact CB-CB 4.31Å; L627-L632 HydrophobicContact CB-CD1 4.12Å; L627-L632 HydrophobicContact CD1-CD1 3.99Å; T628-L632 WeakPolarHBondContact O-CB 3.41Å; T628-L632 PolarHBondContact O-N 3.04Å; L632-L636 HydrophobicContact CD2-CD1 3.68Å; L632-L636 HydrophobicContact CG-CD1 4.2Å; L632-L636 WeakPolarHBondContact O-CB 3.33Å; L632-L636 VanDerWaalsContact O-CD1 3.3Å; L632-L636 WeakPolarHBondContact O-CD1 3.36Å; L632-L636 WeakPolarHBondContact O-CG 3.27Å; L632-L636 PolarHBondContact O-N 3.28Å; L632-L636 VanDerWaalsContact O-N 3.07Å; L632-L663 HydrophobicContact CD2-CD1 3.76Å; L632-L663 HydrophobicContact CD2-CD2 3.48Å; L632-L663 VanDerWaalsContact CD2-CD2 3.48Å; L632-L663 HydrophobicContact CD2-CG 4.14Å
633I72.4Confident74.4Confident12 Ų1232.2 Ų32.26%0.06216%0.162CC..Hα-helixtrans-56.4-49.7166.5-73.2161000111.6F629 E631 I635 L636 Q637 F658 I660 L663F629-I633 HydrophobicContact CD1-CD1 3.71Å; F629-I633 HydrophobicContact CE1-CD1 3.46Å; F629-I633 VanDerWaalsContact CE1-CD1 3.46Å; F629-I633 HydrophobicContact CE1-CG1 4.28Å; F629-I633 HydrophobicContact CZ-CD1 4.11Å; F629-I633 HydrophobicContact CZ-CG1 4.47Å; F629-I633 WeakPolarHBondContact O-CD1 3.41Å; F629-I633 VanDerWaalsContact O-CG1 3.31Å; F629-I633 WeakPolarHBondContact O-CG1 3.37Å; F629-I633 PolarHBondContact O-N 3.5Å; E631-I633 VanDerWaalsContact C-N 3.31Å; E631-I633 PolarHBondContact O-N 3.26Å; I633-I635 PolarHBondContact O-N 3.04Å; I633-L636 CarbonylContact O-C 3.59Å; I633-L636 PolarHBondContact O-N 2.92Å; I633-Q637 HydrophobicContact CG2-CG 4.31Å; I633-Q637 VanDerWaalsContact CG2-NE2 3.27Å; I633-Q637 WeakPolarHBondContact O-CB 3.16Å; I633-Q637 VanDerWaalsContact O-CG 3.3Å; I633-Q637 WeakPolarHBondContact O-CG 3.31Å; I633-Q637 PolarHBondContact O-N 3.06Å; I633-F658 HydrophobicContact CB-CD1 4.26Å; I633-F658 HydrophobicContact CB-CE1 4.3Å; I633-F658 HydrophobicContact CG1-CD1 3.98Å; I633-F658 HydrophobicContact CG1-CE1 3.89Å; I633-F658 HydrophobicContact CG2-CB 4.28Å; I633-F658 HydrophobicContact CG2-CD1 3.7Å; I633-F658 HydrophobicContact CG2-CE1 4.22Å; I633-F658 HydrophobicContact CG2-CG 3.98Å; I633-I660 HydrophobicContact CD1-CD1 3.9Å; I633-I660 HydrophobicContact CD1-CG1 3.74Å; I633-I660 HydrophobicContact CD1-CG2 4.4Å; I633-I660 HydrophobicContact CG1-CG1 4.29Å; I633-L663 HydrophobicContact CG1-CD2 3.98Å
634H71.7Confident74.3Confident101 Ų10137.1 Ų37.147%0.46818%0.183SC..Hα-helixtrans-65.3-38-176.6-175.6-68000113.1N630 E631 Q637 N638N630-H634 PolarHBondContact O-N 3.43Å; E631-H634 CarbonylContact O-C 3.58Å; E631-H634 PolarHBondContact O-N 2.95Å; H634-Q637 PolarHBondContact O-N 3.06Å; H634-N638 PolarHBondContact CE1-ND2 2.88Å; H634-N638 PolarHBondContact O-N 3.23Å
635I75.5Confident73.9Confident52 Ų5237 Ų3727%0.26718%0.183SC..Hα-helixtrans-64.7-48.8174.8-67.7160.6000109.4Y619 L627 E631 I633 Q637 N638 D639Y619-I635 HydrophobicContact CD1-CG2 3.67Å; Y619-I635 HydrophobicContact CD2-CG2 3.65Å; Y619-I635 HydrophobicContact CE1-CG2 3.67Å; Y619-I635 HydrophobicContact CE2-CG2 3.66Å; Y619-I635 HydrophobicContact CG-CG2 3.69Å; L627-I635 HydrophobicContact CD1-CD1 3.87Å; L627-I635 HydrophobicContact CD2-CD1 4.11Å; E631-I635 VanDerWaalsContact O-CG1 3.29Å; E631-I635 WeakPolarHBondContact O-CG1 3.09Å; E631-I635 PolarHBondContact O-N 3.44Å; I633-I635 PolarHBondContact O-N 3.04Å; I635-Q637 PolarHBondContact O-N 3.28Å; I635-N638 PolarHBondContact O-N 3.28Å; I635-D639 PolarHBondContact O-N 2.95Å
636L76Confident73.5Confident0 Ų038.9 Ų38.90%019%0.19CC..Hα-helixtrans-68.7-18.1178.2-62.4166.1000113.3L613 R615 F616 Y619 L632 I633 I642 F658 L663L613-L636 HydrophobicContact CD2-CD1 4.08Å; R615-L636 HydrophobicContact CB-CD2 4.2Å; F616-L636 HydrophobicContact CB-CD1 3.96Å; F616-L636 HydrophobicContact CB-CD2 4.38Å; Y619-L636 HydrophobicContact CD2-CD2 3.93Å; Y619-L636 HydrophobicContact CE2-CD2 3.91Å; L632-L636 HydrophobicContact CD2-CD1 3.68Å; L632-L636 HydrophobicContact CG-CD1 4.2Å; L632-L636 WeakPolarHBondContact O-CB 3.33Å; L632-L636 VanDerWaalsContact O-CD1 3.3Å; L632-L636 WeakPolarHBondContact O-CD1 3.36Å; L632-L636 WeakPolarHBondContact O-CG 3.27Å; L632-L636 PolarHBondContact O-N 3.28Å; L632-L636 VanDerWaalsContact O-N 3.07Å; I633-L636 CarbonylContact O-C 3.59Å; I633-L636 PolarHBondContact O-N 2.92Å; L636-I642 HydrophobicContact CB-CD1 3.8Å; L636-I642 HydrophobicContact CD2-CD1 3.4Å; L636-I642 VanDerWaalsContact CD2-CD1 3.4Å; L636-I642 HydrophobicContact CG-CD1 4.18Å; L636-I642 WeakPolarHBondContact O-CB 3.4Å; L636-I642 VanDerWaalsContact O-CG2 3.31Å; L636-I642 WeakPolarHBondContact O-CG2 3.4Å; L636-F658 HydrophobicContact CB-CE2 3.5Å; L636-F658 VanDerWaalsContact CB-CE2 3.5Å; L636-F658 HydrophobicContact CB-CZ 3.47Å; L636-F658 VanDerWaalsContact CB-CZ 3.47Å; L636-F658 HydrophobicContact CD1-CZ 3.95Å; L636-F658 HydrophobicContact CG-CZ 4.37Å; L636-L663 HydrophobicContact CD1-CD1 4.15Å; L636-L663 HydrophobicContact CD1-CD2 4.21Å
637Q71.1Confident73Confident71 Ų7145.8 Ų45.833%0.33222%0.221SC..Hα-helixtrans-72.8-34.6169.3-80.8175.610.900112.5I633 H634 I635 I643 F658I633-Q637 HydrophobicContact CG2-CG 4.31Å; I633-Q637 VanDerWaalsContact CG2-NE2 3.27Å; I633-Q637 WeakPolarHBondContact O-CB 3.16Å; I633-Q637 VanDerWaalsContact O-CG 3.3Å; I633-Q637 WeakPolarHBondContact O-CG 3.31Å; I633-Q637 PolarHBondContact O-N 3.06Å; H634-Q637 PolarHBondContact O-N 3.06Å; I635-Q637 PolarHBondContact O-N 3.28Å; Q637-I643 WeakPolarHBondContact O-CD1 3.4Å; Q637-I643 VanDerWaalsContact O-CG1 3.3Å; Q637-I643 WeakPolarHBondContact O-CG1 3.13Å; Q637-F658 HydrophobicContact CB-CD2 4.41Å; Q637-F658 HydrophobicContact CG-CB 3.78Å; Q637-F658 HydrophobicContact CG-CD2 3.45Å; Q637-F658 VanDerWaalsContact CG-CD2 3.45Å; Q637-F658 HydrophobicContact CG-CE2 4.3Å; Q637-F658 HydrophobicContact CG-CG 3.81Å
638N70.6Confident72.3Confident94 Ų9451.1 Ų51.150%0.50325%0.245SC..Hα-helixtrans-93.3-15.8-175.9-70.71.9000113.4H634 I635 L640 I643H634-N638 PolarHBondContact CE1-ND2 2.88Å; H634-N638 PolarHBondContact O-N 3.23Å; I635-N638 PolarHBondContact O-N 3.28Å; N638-L640 PolarHBondContact O-N 3.44Å; N638-I643 WeakPolarHBondContact O-CD1 3.45Å
639D74.5Confident71.5Confident8 Ų852.4 Ų52.44%0.04325%0.251CS..  trans-54.3119.1175.1-175.6-54.3000111.4R615 Y619 I635 N641 I642 I643R615-D639 WeakPolarHBondContact CD-OD2 3.22Å; R615-D639 IonicContact NE-OD2 2.77Å; Y619-D639 PolarHBondContact OH-OD2 3.36Å; I635-D639 PolarHBondContact O-N 2.95Å; D639-N641 PolarHBondContact O-N 3.32Å; D639-N641 VanDerWaalsContact O-N 3.17Å; D639-N641 WeakPolarHBondContact OD1-CA 3.48Å; D639-N641 WeakPolarHBondContact OD1-CB 3.24Å; D639-N641 PolarHBondContact OD1-N 2.86Å; D639-I642 HydrophobicContact CB-CB 4.1Å; D639-I642 HydrophobicContact CB-CD1 4Å; D639-I642 HydrophobicContact CB-CG1 4.05Å; D639-I642 PolarHBondContact O-N 3.21Å; D639-I642 PolarHBondContact OD1-N 3.22Å; D639-I642 VanDerWaalsContact OD1-N 3.17Å; D639-I643 WeakPolarHBondContact O-CG1 3.19Å; D639-I643 PolarHBondContact O-N 3.15Å
640L74Confident70.7Confident59 Ų5953.4 Ų53.431%0.30926%0.259SS..Hα-helixtrans-57.8-31.9-176.2-71.2179.6000113.7N638 K644 H714N638-L640 PolarHBondContact O-N 3.44Å; L640-K644 WeakPolarHBondContact O-CD 3.31Å; L640-K644 WeakPolarHBondContact O-CG 3.39Å; L640-K644 PolarHBondContact O-N 3.06Å; L640-H714 HydrophobicContact CD1-CB 4.01Å; L640-H714 WeakPolarHBondContact CD1-O 3.49Å
641N73Confident69.8Low22 Ų2256.6 Ų56.612%0.11827%0.27CS..Hα-helixtrans-81.5-37.2-177.5-65.1-38000110.7R615 D639 I643 K644 I645 Q711R615-N641 PolarHBondContact NH2-ND2 3.48Å; D639-N641 PolarHBondContact O-N 3.32Å; D639-N641 VanDerWaalsContact O-N 3.17Å; D639-N641 WeakPolarHBondContact OD1-CA 3.48Å; D639-N641 WeakPolarHBondContact OD1-CB 3.24Å; D639-N641 PolarHBondContact OD1-N 2.86Å; N641-I643 VanDerWaalsContact C-N 3.34Å; N641-K644 PolarHBondContact O-N 2.96Å; N641-K644 PolarHBondContact OD1-NZ 3Å; N641-I645 WeakPolarHBondContact O-CG1 3.42Å; N641-I645 PolarHBondContact O-N 3.38Å; N641-Q711 PolarHBondContact ND2-OE1 2.92Å
642I72.6Confident68.4Low2 Ų262.3 Ų62.31%0.0130%0.301CS..Hα-helixtrans-66-37.1168.9-57.8177.8000110.7E612 L636 D639 I645 R646E612-I642 HydrophobicContact CB-CG1 4.31Å; L636-I642 HydrophobicContact CB-CD1 3.8Å; L636-I642 HydrophobicContact CD2-CD1 3.4Å; L636-I642 VanDerWaalsContact CD2-CD1 3.4Å; L636-I642 HydrophobicContact CG-CD1 4.18Å; L636-I642 WeakPolarHBondContact O-CB 3.4Å; L636-I642 VanDerWaalsContact O-CG2 3.31Å; L636-I642 WeakPolarHBondContact O-CG2 3.4Å; D639-I642 HydrophobicContact CB-CB 4.1Å; D639-I642 HydrophobicContact CB-CD1 4Å; D639-I642 HydrophobicContact CB-CG1 4.05Å; D639-I642 PolarHBondContact O-N 3.21Å; D639-I642 PolarHBondContact OD1-N 3.22Å; D639-I642 VanDerWaalsContact OD1-N 3.17Å; I642-I645 PolarHBondContact O-N 3.42Å; I642-R646 HydrophobicContact CG2-CG 4.3Å; I642-R646 VanDerWaalsContact O-CB 3.27Å; I642-R646 WeakPolarHBondContact O-CB 3.47Å; I642-R646 VanDerWaalsContact O-CG 3.29Å; I642-R646 WeakPolarHBondContact O-CG 3.33Å; I642-R646 PolarHBondContact O-N 2.92Å
643I71.4Confident66.9Low52 Ų5267.7 Ų67.727%0.26733%0.33SS..Hα-helixtrans-63.9-44.6172.3-68.9168.5000111.4Q637 N638 D639 N641 I645 R646 K647Q637-I643 WeakPolarHBondContact O-CD1 3.4Å; Q637-I643 VanDerWaalsContact O-CG1 3.3Å; Q637-I643 WeakPolarHBondContact O-CG1 3.13Å; N638-I643 WeakPolarHBondContact O-CD1 3.45Å; D639-I643 WeakPolarHBondContact O-CG1 3.19Å; D639-I643 PolarHBondContact O-N 3.15Å; N641-I643 VanDerWaalsContact C-N 3.34Å; I643-I645 PolarHBondContact O-N 3.15Å; I643-R646 PolarHBondContact O-N 2.65Å; I643-K647 HydrophobicContact CG2-CD 4.18Å; I643-K647 WeakPolarHBondContact O-CB 3.25Å; I643-K647 WeakPolarHBondContact O-CG 3.45Å; I643-K647 PolarHBondContact O-N 3.37Å
644K75.1Confident65.2Low104 Ų10472.2 Ų72.245%0.45236%0.362SS..Hα-helixtrans-58.6-47176-74.4162.9-157.3166.90111.1L640 N641 K647 Q648L640-K644 WeakPolarHBondContact O-CD 3.31Å; L640-K644 WeakPolarHBondContact O-CG 3.39Å; L640-K644 PolarHBondContact O-N 3.06Å; N641-K644 PolarHBondContact O-N 2.96Å; N641-K644 PolarHBondContact OD1-NZ 3Å; K644-K647 WeakPolarHBondContact O-CB 3.22Å; K644-K647 PolarHBondContact O-N 3.09Å; K644-K647 VanDerWaalsContact O-N 3.16Å; K644-Q648 WeakPolarHBondContact O-CG 3.18Å; K644-Q648 PolarHBondContact O-N 3.23Å
645I68.8Low63.9Low13 Ų1370.5 Ų70.57%0.06736%0.356CS..Hα-helixtrans-72.4-36.4-178.4-70.5169.6000111.3L608 L609 E612 N641 I642 I643 K647 Q648 L649L608-I645 HydrophobicContact CD2-CD1 3.99Å; L609-I645 HydrophobicContact CD1-CG2 4.39Å; E612-I645 HydrophobicContact CB-CD1 4.14Å; E612-I645 HydrophobicContact CG-CD1 3.45Å; E612-I645 VanDerWaalsContact CG-CD1 3.45Å; N641-I645 WeakPolarHBondContact O-CG1 3.42Å; N641-I645 PolarHBondContact O-N 3.38Å; I642-I645 PolarHBondContact O-N 3.42Å; I643-I645 PolarHBondContact O-N 3.15Å; I645-K647 VanDerWaalsContact C-N 3.3Å; I645-K647 PolarHBondContact O-N 2.89Å; I645-Q648 PolarHBondContact O-N 3.42Å; I645-L649 HydrophobicContact CG2-CD1 3.85Å; I645-L649 HydrophobicContact CG2-CG 4.37Å; I645-L649 WeakPolarHBondContact O-CB 3.19Å; I645-L649 VanDerWaalsContact O-CG 3.3Å; I645-L649 WeakPolarHBondContact O-CG 3.37Å; I645-L649 PolarHBondContact O-N 3.44Å
646R67Low62.6Low42 Ų4276.2 Ų76.216%0.15838%0.381CS..Hα-helixtrans-62.1-35167.6-76.3-173.769.9-156.8-2112.1L609 I642 I643 N650 I655 Q656 S657L609-R646 HydrophobicContact CD1-CG 4.46Å; I642-R646 HydrophobicContact CG2-CG 4.3Å; I642-R646 VanDerWaalsContact O-CB 3.27Å; I642-R646 WeakPolarHBondContact O-CB 3.47Å; I642-R646 VanDerWaalsContact O-CG 3.29Å; I642-R646 WeakPolarHBondContact O-CG 3.33Å; I642-R646 PolarHBondContact O-N 2.92Å; I643-R646 PolarHBondContact O-N 2.65Å; R646-N650 WeakPolarHBondContact O-CB 3.49Å; R646-N650 PolarHBondContact O-N 2.8Å; R646-N650 PolarHBondContact O-OD1 2.73Å; R646-I655 PolarHBondContact NH2-O 2.8Å; R646-Q656 PolarHBondContact NH2-O 3.16Å; R646-S657 PolarHBondContact NH2-O 3.34Å; R646-S657 VanDerWaalsContact NH2-O 3.17Å
647K67.4Low61.7Low146 Ų14680.4 Ų80.464%0.63541%0.411SS*.Hα-helixtrans-68.8-42.2173.8-76.6176.5178.9-178.30112.2I643 K644 I645 N650 Q651I643-K647 HydrophobicContact CG2-CD 4.18Å; I643-K647 WeakPolarHBondContact O-CB 3.25Å; I643-K647 WeakPolarHBondContact O-CG 3.45Å; I643-K647 PolarHBondContact O-N 3.37Å; K644-K647 WeakPolarHBondContact O-CB 3.22Å; K644-K647 PolarHBondContact O-N 3.09Å; K644-K647 VanDerWaalsContact O-N 3.16Å; I645-K647 VanDerWaalsContact C-N 3.3Å; I645-K647 PolarHBondContact O-N 2.89Å; K647-N650 PolarHBondContact O-N 2.87Å; K647-Q651 PolarHBondContact O-N 2.9Å
648Q65.7Low61.4Low118 Ų11877.6 Ų77.655%0.55140%0.398SS*.Hα-helixtrans-63.3-43.5173.8-72172.7-28.800111.9K644 I645 Q651K644-Q648 WeakPolarHBondContact O-CG 3.18Å; K644-Q648 PolarHBondContact O-N 3.23Å; I645-Q648 PolarHBondContact O-N 3.42Å; Q648-Q651 PolarHBondContact O-N 3.43Å
649L59.9Low61Low43 Ų4374 Ų7423%0.22538%0.379CS..Hα-helixtrans-71.1-31.3175.9-68.5170.3000112.5L609 I645 Q651 L652 N653L609-L649 HydrophobicContact CB-CD1 3.93Å; L609-L649 HydrophobicContact CD1-CD1 4.2Å; L609-L649 HydrophobicContact CD2-CD1 4.11Å; L609-L649 HydrophobicContact CG-CD1 4.32Å; I645-L649 HydrophobicContact CG2-CD1 3.85Å; I645-L649 HydrophobicContact CG2-CG 4.37Å; I645-L649 WeakPolarHBondContact O-CB 3.19Å; I645-L649 VanDerWaalsContact O-CG 3.3Å; I645-L649 WeakPolarHBondContact O-CG 3.37Å; I645-L649 PolarHBondContact O-N 3.44Å; L649-Q651 PolarHBondContact O-N 3.25Å; L649-L652 CarbonylContact O-C 3.59Å; L649-L652 WeakPolarHBondContact O-CA 3.39Å; L649-L652 WeakPolarHBondContact O-CB 3.41Å; L649-L652 PolarHBondContact O-N 3.17Å; L649-N653 PolarHBondContact O-N 2.86Å
650N55.2Low60.5Low66 Ų6677.4 Ų77.435%0.35340%0.397SS..Hα-helixtrans-73.2-11.9175.8-75.75.4000114.1R646 K647 N653 I655R646-N650 WeakPolarHBondContact O-CB 3.49Å; R646-N650 PolarHBondContact O-N 2.8Å; R646-N650 PolarHBondContact O-OD1 2.73Å; K647-N650 PolarHBondContact O-N 2.87Å; N650-N653 WeakPolarHBondContact CA-O 3.17Å; N650-N653 PolarHBondContact OD1-O 2.83Å; N650-I655 PolarHBondContact ND2-O 2.62Å; N650-I655 VanDerWaalsContact ND2-O 3.16Å; N650-I655 WeakPolarHBondContact OD1-CA 3.46Å; N650-I655 WeakPolarHBondContact OD1-CB 3.42Å; N650-I655 PolarHBondContact OD1-N 3.48Å; N650-I655 VanDerWaalsContact OD1-N 3.08Å; N650-I655 PolarHBondContact OD1-O 3.13Å
651Q52.8Low60.1Low167 Ų16776.9 Ų76.978%0.7841%0.406SS*.THydrogen-bonded Turntrans-74.3-13.7163.7-69.3174.7-29.900112.6K647 Q648 L649K647-Q651 PolarHBondContact O-N 2.9Å; Q648-Q651 PolarHBondContact O-N 3.43Å; L649-Q651 PolarHBondContact O-N 3.25Å
652L45.8Very low59.9Low136 Ų13678 Ų7871%0.71241%0.414SS*.THydrogen-bonded Turntrans-113.2-36.8-178.4-69.1162.3000113.2L649L649-L652 CarbonylContact O-C 3.59Å; L649-L652 WeakPolarHBondContact O-CA 3.39Å; L649-L652 WeakPolarHBondContact O-CB 3.41Å; L649-L652 PolarHBondContact O-N 3.17Å
653N43.4Very low60.1Low114 Ų11477.9 Ų77.961%0.6141%0.414SS*.SBendtrans-148.4130.7179.6-76.3-73.9000110.7L649 N650 I655L649-N653 PolarHBondContact O-N 2.86Å; N650-N653 WeakPolarHBondContact CA-O 3.17Å; N650-N653 PolarHBondContact OD1-O 2.83Å; N653-I655 VanDerWaalsContact C-N 3.31Å; N653-I655 HydrophobicContact CB-CG1 4.34Å; N653-I655 PolarHBondContact O-N 3.35Å
654S37.3Very low60.1Low107 Ų10776.8 Ų76.875%0.74841%0.408SS*.  trans-7467.8-171.958.40000114.9Q656S654-Q656 PolarHBondContact O-N 2.97Å
655I44.6Very low59.8Low64 Ų6475.8 Ų75.833%0.32840%0.404SS..  trans-82.983.3-177.9-56172.5000109.9R646 N650 N653 S657R646-I655 PolarHBondContact NH2-O 2.8Å; N650-I655 PolarHBondContact ND2-O 2.62Å; N650-I655 VanDerWaalsContact ND2-O 3.16Å; N650-I655 WeakPolarHBondContact OD1-CA 3.46Å; N650-I655 WeakPolarHBondContact OD1-CB 3.42Å; N650-I655 PolarHBondContact OD1-N 3.48Å; N650-I655 VanDerWaalsContact OD1-N 3.08Å; N650-I655 PolarHBondContact OD1-O 3.13Å; N653-I655 VanDerWaalsContact C-N 3.31Å; N653-I655 HydrophobicContact CB-CG1 4.34Å; N653-I655 PolarHBondContact O-N 3.35Å; I655-S657 VanDerWaalsContact CG2-O 3.32Å; I655-S657 WeakPolarHBondContact CG2-O 3.32Å
656Q49.2Very low60.2Low172 Ų17275.2 Ų75.280%0.80440%0.401SS*.  trans-66.6-39.4177.7-70.3178-23.200113R646 S654R646-Q656 PolarHBondContact NH2-O 3.16Å; S654-Q656 PolarHBondContact O-N 2.97Å
657S56.1Low60.7Low89 Ų8973.2 Ų73.262%0.62239%0.393SS*.SBendtrans-91.5165.3-17857.10000113.4R646 I655R646-S657 PolarHBondContact NH2-O 3.34Å; R646-S657 VanDerWaalsContact NH2-O 3.17Å; I655-S657 VanDerWaalsContact CG2-O 3.32Å; I655-S657 WeakPolarHBondContact CG2-O 3.32Å
658F63.9Low60.9Low12 Ų1268.1 Ų68.15%0.05337%0.37CS..  trans-77.4142175.7-177.3-91.2000111.3L613 I633 L636 Q637 I660 L663L613-F658 HydrophobicContact CD2-CE1 4.3Å; L613-F658 HydrophobicContact CD2-CE2 4.23Å; L613-F658 HydrophobicContact CD2-CZ 3.53Å; I633-F658 HydrophobicContact CB-CD1 4.26Å; I633-F658 HydrophobicContact CB-CE1 4.3Å; I633-F658 HydrophobicContact CG1-CD1 3.98Å; I633-F658 HydrophobicContact CG1-CE1 3.89Å; I633-F658 HydrophobicContact CG2-CB 4.28Å; I633-F658 HydrophobicContact CG2-CD1 3.7Å; I633-F658 HydrophobicContact CG2-CE1 4.22Å; I633-F658 HydrophobicContact CG2-CG 3.98Å; L636-F658 HydrophobicContact CB-CE2 3.5Å; L636-F658 VanDerWaalsContact CB-CE2 3.5Å; L636-F658 HydrophobicContact CB-CZ 3.47Å; L636-F658 VanDerWaalsContact CB-CZ 3.47Å; L636-F658 HydrophobicContact CD1-CZ 3.95Å; L636-F658 HydrophobicContact CG-CZ 4.37Å; Q637-F658 HydrophobicContact CB-CD2 4.41Å; Q637-F658 HydrophobicContact CG-CB 3.78Å; Q637-F658 HydrophobicContact CG-CD2 3.45Å; Q637-F658 VanDerWaalsContact CG-CD2 3.45Å; Q637-F658 HydrophobicContact CG-CE2 4.3Å; Q637-F658 HydrophobicContact CG-CG 3.81Å; F658-I660 HydrophobicContact CD1-CG1 4.03Å; F658-I660 PolarHBondContact O-N 3.21Å; F658-L663 HydrophobicContact CE1-CD2 4.07Å
659P62.9Low61.2Low19 Ų1963.2 Ų63.212%0.12335%0.349CS..  trans-76.662.8-174.434.9-41.6000113.6L609 L613 G661 C662 L663L609-P659 HydrophobicContact CD1-CG 4.45Å; L609-P659 HydrophobicContact CD2-CB 4.19Å; L609-P659 HydrophobicContact CD2-CG 4.04Å; L609-P659 HydrophobicContact CG-CG 4.38Å; L613-P659 HydrophobicContact CD1-CG 4.33Å; P659-G661 VanDerWaalsContact C-N 3.26Å; P659-G661 PolarHBondContact O-N 2.63Å; P659-C662 HydrophobicContact CB-CB 4.1Å; P659-C662 WeakPolarHBondContact O-CB 3.42Å; P659-C662 PolarHBondContact O-N 3.09Å; P659-L663 PolarHBondContact O-N 3.33Å
660I65.3Low61.4Low79 Ų7962 Ų6241%0.40534%0.344SS..Hα-helixtrans-49.8-44.5-178.2-65.7178.3000112.3F629 I633 F658 C662 L663 L664F629-I660 HydrophobicContact CE1-CG2 3.79Å; F629-I660 HydrophobicContact CZ-CG2 4.09Å; I633-I660 HydrophobicContact CD1-CD1 3.9Å; I633-I660 HydrophobicContact CD1-CG1 3.74Å; I633-I660 HydrophobicContact CD1-CG2 4.4Å; I633-I660 HydrophobicContact CG1-CG1 4.29Å; F658-I660 HydrophobicContact CD1-CG1 4.03Å; F658-I660 PolarHBondContact O-N 3.21Å; I660-C662 VanDerWaalsContact C-N 3.32Å; I660-C662 PolarHBondContact O-N 2.92Å; I660-L663 PolarHBondContact O-N 3.12Å; I660-L664 HydrophobicContact CG2-CD1 4Å; I660-L664 HydrophobicContact CG2-CG 4.49Å; I660-L664 PolarHBondContact O-N 3.46Å
661G64.7Low61.9Low48 Ų4860.4 Ų60.450%0.49534%0.336SS..Hα-helixtrans-64.2-31.8179.900000114.2P659 K665P659-G661 VanDerWaalsContact C-N 3.26Å; P659-G661 PolarHBondContact O-N 2.63Å; G661-K665 WeakPolarHBondContact O-CB 3.41Å; G661-K665 PolarHBondContact O-N 2.76Å
662C68.7Low62.7Low44 Ų4452.6 Ų52.630%0.29730%0.299SS..Hα-helixtrans-71.5-38.8176.8-64.10000111.3L613 P659 I660 K665 L666L613-C662 HydrophobicContact CD1-CB 3.78Å; P659-C662 HydrophobicContact CB-CB 4.1Å; P659-C662 WeakPolarHBondContact O-CB 3.42Å; P659-C662 PolarHBondContact O-N 3.09Å; I660-C662 VanDerWaalsContact C-N 3.32Å; I660-C662 PolarHBondContact O-N 2.92Å; C662-K665 PolarHBondContact O-N 2.96Å; C662-L666 WeakPolarHBondContact O-CB 3.47Å; C662-L666 PolarHBondContact O-N 3.33Å
663L76.2Confident64.1Low0 Ų046.4 Ų46.40%027%0.266CS..Hα-helixtrans-66.2-40.8175.4175.365.4000111.8L613 F616 F629 L632 I633 L636 F658 P659 I660 L666 I667L613-L663 HydrophobicContact CD1-CB 4.48Å; F616-L663 HydrophobicContact CB-CD1 4.41Å; F616-L663 HydrophobicContact CD2-CD1 4.3Å; F616-L663 HydrophobicContact CG-CD1 4.21Å; F629-L663 HydrophobicContact CD2-CD2 4.35Å; F629-L663 HydrophobicContact CE2-CD2 3.48Å; F629-L663 VanDerWaalsContact CE2-CD2 3.48Å; F629-L663 HydrophobicContact CE2-CG 3.75Å; F629-L663 HydrophobicContact CZ-CD2 3.65Å; F629-L663 HydrophobicContact CZ-CG 4.05Å; L632-L663 HydrophobicContact CD2-CD1 3.76Å; L632-L663 HydrophobicContact CD2-CD2 3.48Å; L632-L663 VanDerWaalsContact CD2-CD2 3.48Å; L632-L663 HydrophobicContact CD2-CG 4.14Å; I633-L663 HydrophobicContact CG1-CD2 3.98Å; L636-L663 HydrophobicContact CD1-CD1 4.15Å; L636-L663 HydrophobicContact CD1-CD2 4.21Å; F658-L663 HydrophobicContact CE1-CD2 4.07Å; P659-L663 PolarHBondContact O-N 3.33Å; I660-L663 PolarHBondContact O-N 3.12Å; L663-L666 WeakPolarHBondContact O-CB 3.42Å; L663-L666 PolarHBondContact O-N 3.37Å; L663-I667 HydrophobicContact CD1-CD1 4.14Å; L663-I667 HydrophobicContact CG-CD1 4.2Å; L663-I667 WeakPolarHBondContact O-CG1 3.01Å; L663-I667 PolarHBondContact O-N 2.83Å; L663-I667 VanDerWaalsContact O-N 3.12Å
664L71.3Confident65.7Low29 Ų2941.1 Ų41.115%0.15224%0.238CC..Hα-helixtrans-65.6-42.7172.9-66.5167.3000111.7Y276 F629 I660 L666 I667 Y668Y276-L664 HydrophobicContact CD2-CB 3.82Å; Y276-L664 HydrophobicContact CD2-CD1 3.84Å; Y276-L664 HydrophobicContact CD2-CD2 4.44Å; Y276-L664 HydrophobicContact CD2-CG 4.24Å; Y276-L664 HydrophobicContact CE1-CB 4.34Å; Y276-L664 HydrophobicContact CE2-CB 3.29Å; Y276-L664 HydrophobicContact CE2-CD1 3.77Å; Y276-L664 HydrophobicContact CE2-CG 4.07Å; F629-L664 HydrophobicContact CD2-CD2 4.33Å; F629-L664 HydrophobicContact CE1-CD1 4.46Å; F629-L664 HydrophobicContact CE1-CD2 3.92Å; F629-L664 HydrophobicContact CE1-CG 4.16Å; F629-L664 HydrophobicContact CE2-CD2 3.58Å; F629-L664 HydrophobicContact CE2-CG 4.11Å; F629-L664 HydrophobicContact CZ-CD1 4.27Å; F629-L664 HydrophobicContact CZ-CD2 3.37Å; F629-L664 HydrophobicContact CZ-CG 3.52Å; I660-L664 HydrophobicContact CG2-CD1 4Å; I660-L664 HydrophobicContact CG2-CG 4.49Å; I660-L664 PolarHBondContact O-N 3.46Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 2.99Å; L664-I667 PolarHBondContact O-N 2.53Å; L664-Y668 HydrophobicContact CD2-CD2 4.29Å; L664-Y668 HydrophobicContact CD2-CE2 3.9Å; L664-Y668 WeakPolarHBondContact O-CD2 3.32Å; L664-Y668 PolarHBondContact O-N 3.34Å
665K70.3Confident67.5Low83 Ų8336.7 Ų36.736%0.36121%0.205SC..Hα-helixtrans-55.8-45.7173.9-172.7-159.2172.5-1550110.1Y276 E606 G661 C662 I667 S669Y276-K665 WeakPolarHBondContact OH-CA 3.27Å; Y276-K665 PolarHBondContact OH-N 2.81Å; Y276-K665 VanDerWaalsContact OH-N 3.15Å; E606-K665 VanDerWaalsContact CD-NZ 3.27Å; E606-K665 IonicContact OE1-NZ 3.48Å; E606-K665 PolarHBondContact OE1-NZ 3.26Å; E606-K665 IonicContact OE2-NZ 2.77Å; E606-K665 PolarHBondContact OE2-NZ 3.12Å; G661-K665 WeakPolarHBondContact O-CB 3.41Å; G661-K665 PolarHBondContact O-N 2.76Å; C662-K665 PolarHBondContact O-N 2.96Å; K665-I667 PolarHBondContact O-N 2.86Å; K665-S669 WeakPolarHBondContact O-CA 3.4Å; K665-S669 WeakPolarHBondContact O-CB 3.4Å; K665-S669 PolarHBondContact O-N 3.15Å
666L76.8Confident69Low1 Ų134 Ų341%0.00519%0.192CC..Hα-helixtrans-59.6-44.8179179.360000112.6L603 I610 L613 L614 F616 C662 L663 L664 Y672 I674L603-L666 HydrophobicContact CD1-CD1 3.56Å; L603-L666 HydrophobicContact CD2-CD1 4.4Å; I610-L666 HydrophobicContact CG2-CB 4.39Å; I610-L666 HydrophobicContact CG2-CD1 4.19Å; I610-L666 HydrophobicContact CG2-CD2 4.41Å; L613-L666 HydrophobicContact CB-CD2 3.89Å; L614-L666 HydrophobicContact CD2-CD1 4Å; L614-L666 HydrophobicContact CD2-CD2 4.26Å; F616-L666 HydrophobicContact CD1-CD2 4.03Å; F616-L666 HydrophobicContact CE1-CD2 3.69Å; F616-L666 HydrophobicContact CE1-CG 4.04Å; C662-L666 WeakPolarHBondContact O-CB 3.47Å; C662-L666 PolarHBondContact O-N 3.33Å; L663-L666 WeakPolarHBondContact O-CB 3.42Å; L663-L666 PolarHBondContact O-N 3.37Å; L664-L666 VanDerWaalsContact C-N 3.28Å; L664-L666 PolarHBondContact O-N 2.99Å; L666-Y672 HydrophobicContact CD1-CD2 4.04Å; L666-Y672 HydrophobicContact CD1-CE2 4.32Å; L666-I674 HydrophobicContact CD1-CD1 3.86Å; L666-I674 HydrophobicContact CG-CD1 4.21Å
667I76.9Confident70.5Confident0 Ų026 Ų260%015%0.154CC..Hα-helixtrans-70.9-47.6-177.6-69.6166.6000112.4F616 F629 L663 L664 K665 K675 L678 F680 I689F616-I667 HydrophobicContact CD2-CD1 4.32Å; F616-I667 HydrophobicContact CD2-CG1 4.39Å; F616-I667 HydrophobicContact CE2-CD1 3.76Å; F616-I667 HydrophobicContact CE2-CG1 3.45Å; F616-I667 VanDerWaalsContact CE2-CG1 3.45Å; F616-I667 HydrophobicContact CZ-CD1 4.38Å; F616-I667 HydrophobicContact CZ-CG1 3.6Å; F629-I667 HydrophobicContact CD2-CD1 4.36Å; F629-I667 HydrophobicContact CE2-CD1 3.99Å; L663-I667 HydrophobicContact CD1-CD1 4.14Å; L663-I667 HydrophobicContact CG-CD1 4.2Å; L663-I667 WeakPolarHBondContact O-CG1 3.01Å; L663-I667 PolarHBondContact O-N 2.83Å; L663-I667 VanDerWaalsContact O-N 3.12Å; L664-I667 PolarHBondContact O-N 2.53Å; K665-I667 PolarHBondContact O-N 2.86Å; I667-K675 PolarHBondContact O-N 3.46Å; I667-L678 HydrophobicContact CG2-CD1 4.33Å; I667-F680 HydrophobicContact CG2-CZ 4.38Å; I667-I689 HydrophobicContact CD1-CD1 4.41Å
668Y72.5Confident71.7Confident39 Ų3921.8 Ų21.815%0.15313%0.125CC..Hα-helixtrans-95.6-7.1-170.9-67.6-76.3000114.3Y276 L664 S670 K675 F680Y276-Y668 AromaticContact CD1-CD2 3.58Å; Y276-Y668 HydrophobicContact CD1-CD2 3.58Å; Y276-Y668 HydrophobicContact CD1-CE2 4.44Å; Y276-Y668 AromaticContact CD1-CG 3.68Å; Y276-Y668 HydrophobicContact CD1-CG 3.68Å; Y276-Y668 HydrophobicContact CE1-CD2 4.09Å; Y276-Y668 HydrophobicContact CE1-CG 4.23Å; Y276-Y668 AromaticContact CG-CD2 3.88Å; Y276-Y668 HydrophobicContact CG-CD2 3.88Å; Y276-Y668 HydrophobicContact CG-CE2 4.33Å; Y276-Y668 HydrophobicContact CG-CG 4.34Å; L664-Y668 HydrophobicContact CD2-CD2 4.29Å; L664-Y668 HydrophobicContact CD2-CE2 3.9Å; L664-Y668 WeakPolarHBondContact O-CD2 3.32Å; L664-Y668 PolarHBondContact O-N 3.34Å; Y668-S670 PolarHBondContact O-N 2.66Å; Y668-K675 HydrophobicContact CD1-CD 4.4Å; Y668-F680 HydrophobicContact CE1-CZ 4.35Å; Y668-F680 WeakPolarHBondContact OH-CE1 3.16Å
669S70.6Confident72.4Confident16 Ų1621.8 Ų21.811%0.11213%0.125CC..  trans-58.3124.2175.4173.90000111.8K665 I671 Y672 N673K665-S669 WeakPolarHBondContact O-CA 3.4Å; K665-S669 WeakPolarHBondContact O-CB 3.4Å; K665-S669 PolarHBondContact O-N 3.15Å; S669-I671 PolarHBondContact O-N 3.42Å; S669-I671 WeakPolarHBondContact OG-CB 3.45Å; S669-I671 PolarHBondContact OG-N 3.23Å; S669-Y672 PolarHBondContact O-N 3.37Å; S669-N673 WeakPolarHBondContact O-CA 3.32Å; S669-N673 PolarHBondContact O-N 3.47Å
670S65.8Low73.1Confident16 Ų1621.2 Ų21.211%0.11212%0.121CC..THydrogen-bonded Turntrans-52.3-37.7167.847.80000113.3T529 Y668 Y672 N673T529-S670 WeakPolarHBondContact OG1-CB 3.46Å; T529-S670 PolarHBondContact OG1-OG 3.37Å; Y668-S670 PolarHBondContact O-N 2.66Å; S670-Y672 PolarHBondContact O-N 2.96Å; S670-N673 PolarHBondContact O-N 2.68Å
671I64.8Low73.5Confident34 Ų3417.5 Ų17.517%0.17410%0.102CC..THydrogen-bonded Turntrans-62.5-45.2-175.9-53.7173.9000110.7S669S669-I671 PolarHBondContact O-N 3.42Å; S669-I671 WeakPolarHBondContact OG-CB 3.45Å; S669-I671 PolarHBondContact OG-N 3.23Å
672Y69.5Low73.6Confident3 Ų319.8 Ų19.81%0.01210%0.096CC..THydrogen-bonded Turntrans-86.3-29.6176.5-50-51.8000112R595 I599 I602 L603 E606 L666 S669 S670 I674R595-Y672 PolarHBondContact NH2-O 2.84Å; I599-Y672 HydrophobicContact CG2-CD1 4.31Å; I602-Y672 HydrophobicContact CB-CE1 4.31Å; I602-Y672 HydrophobicContact CG2-CE1 3.82Å; L603-Y672 HydrophobicContact CD1-CE1 4.3Å; L603-Y672 HydrophobicContact CD1-CE2 4.48Å; L603-Y672 HydrophobicContact CD2-CE1 4.18Å; L603-Y672 HydrophobicContact CD2-CE2 3.87Å; L603-Y672 WeakPolarHBondContact CD2-OH 3.39Å; L603-Y672 HydrophobicContact CG-CE1 3.83Å; L603-Y672 HydrophobicContact CG-CE2 4.29Å; E606-Y672 PolarHBondContact OE2-OH 3.23Å; L666-Y672 HydrophobicContact CD1-CD2 4.04Å; L666-Y672 HydrophobicContact CD1-CE2 4.32Å; S669-Y672 PolarHBondContact O-N 3.37Å; S670-Y672 PolarHBondContact O-N 2.96Å; Y672-I674 PolarHBondContact O-N 3.43Å
673N74.5Confident73.5Confident5 Ų518.1 Ų18.13%0.0279%0.085CC..  trans57.323.8179.2-141.110.5000113.3N522 K525 D566 S669 S670 K675 N676N522-N673 PolarHBondContact OD1-ND2 2.86Å; K525-N673 PolarHBondContact NZ-OD1 3.01Å; D566-N673 PolarHBondContact OD1-ND2 3.21Å; S669-N673 WeakPolarHBondContact O-CA 3.32Å; S669-N673 PolarHBondContact O-N 3.47Å; S670-N673 PolarHBondContact O-N 2.68Å; N673-K675 PolarHBondContact O-N 3.46Å; N673-K675 VanDerWaalsContact O-N 3.11Å; N673-N676 PolarHBondContact ND2-ND2 2.97Å; N673-N676 VanDerWaalsContact O-CB 3.31Å; N673-N676 WeakPolarHBondContact O-CB 3.49Å; N673-N676 PolarHBondContact O-N 3.17Å
674I78.8Confident72.7Confident3 Ų320.2 Ų20.22%0.01510%0.096CC..G310 helixtrans-57.4-33.3-171-60.4177.5000111.6I599 L614 F616 M617 L666 Y672 N676 Y677 L678I599-I674 HydrophobicContact CD1-CG1 4.24Å; I599-I674 HydrophobicContact CG2-CD1 4.4Å; L614-I674 HydrophobicContact CD2-CD1 4.41Å; F616-I674 HydrophobicContact CZ-CG2 4.13Å; M617-I674 HydrophobicContact CE-CG2 4.15Å; M617-I674 HydrophobicContact SD-CG2 3.81Å; L666-I674 HydrophobicContact CD1-CD1 3.86Å; L666-I674 HydrophobicContact CG-CD1 4.21Å; Y672-I674 PolarHBondContact O-N 3.43Å; I674-N676 PolarHBondContact O-N 3.29Å; I674-Y677 PolarHBondContact O-N 3.12Å; I674-L678 HydrophobicContact CG2-CD1 3.89Å; I674-L678 HydrophobicContact CG2-CG 4.28Å
675K74.8Confident72.1Confident14 Ų1421.5 Ų21.56%0.06110%0.103CC..G310 helixtrans-42.5-35.7168.1-167.1-164.9-179.9-163.90113.9E273 I667 Y668 N673 Y677 L678E273-K675 WeakPolarHBondContact OE1-CE 3.49Å; E273-K675 IonicContact OE1-NZ 2.59Å; E273-K675 PolarHBondContact OE1-NZ 3.4Å; E273-K675 IonicContact OE2-NZ 2.69Å; E273-K675 PolarHBondContact OE2-NZ 3.13Å; I667-K675 PolarHBondContact O-N 3.46Å; Y668-K675 HydrophobicContact CD1-CD 4.4Å; N673-K675 PolarHBondContact O-N 3.46Å; N673-K675 VanDerWaalsContact O-N 3.11Å; K675-Y677 VanDerWaalsContact C-N 3.29Å; K675-Y677 PolarHBondContact O-N 3.32Å; K675-L678 PolarHBondContact O-N 3.43Å; K675-L678 VanDerWaalsContact O-O 3.1Å
676N74.8Confident71.8Confident9 Ų920.1 Ų20.15%0.04810%0.095CC..G310 helixtrans-63-31.5179.3-83.72.8000113.7D566 N673 I674 N692D566-N676 PolarHBondContact OD1-ND2 3.29Å; N673-N676 PolarHBondContact ND2-ND2 2.97Å; N673-N676 VanDerWaalsContact O-CB 3.31Å; N673-N676 WeakPolarHBondContact O-CB 3.49Å; N673-N676 PolarHBondContact O-N 3.17Å; I674-N676 PolarHBondContact O-N 3.29Å; N676-N692 PolarHBondContact O-ND2 2.96Å
677Y80.6Confident71.5Confident4 Ų423.6 Ų23.62%0.01611%0.114CC..G310 helixtrans-89.8-7.2-179.5-44.4-52.4000112.2L563 D566 F592 R595 I599 I674 K675 N692 Y696L563-Y677 HydrophobicContact CD1-CD1 4.49Å; L563-Y677 HydrophobicContact CD1-CE1 4.16Å; L563-Y677 HydrophobicContact CG-CE1 4.34Å; D566-Y677 WeakPolarHBondContact CB-OH 3.42Å; D566-Y677 VanDerWaalsContact OD2-CE1 3.24Å; D566-Y677 WeakPolarHBondContact OD2-CE1 3.47Å; D566-Y677 VanDerWaalsContact OD2-CZ 3.32Å; D566-Y677 PolarHBondContact OD2-OH 3.49Å; F592-Y677 HydrophobicContact CE2-CD1 4.43Å; F592-Y677 AromaticContact CE2-CD2 3.95Å; F592-Y677 HydrophobicContact CE2-CD2 3.95Å; F592-Y677 HydrophobicContact CE2-CE2 4.47Å; F592-Y677 AromaticContact CE2-CG 3.95Å; F592-Y677 HydrophobicContact CE2-CG 3.95Å; R595-Y677 HydrophobicContact CG-CE2 4.09Å; R595-Y677 PolarHBondContact NE-OH 3.5Å; I599-Y677 HydrophobicContact CD1-CE2 4.47Å; I674-Y677 PolarHBondContact O-N 3.12Å; K675-Y677 VanDerWaalsContact C-N 3.29Å; K675-Y677 PolarHBondContact O-N 3.32Å; Y677-N692 VanDerWaalsContact O-CB 3.29Å; Y677-N692 WeakPolarHBondContact O-CB 3.47Å; Y677-N692 PolarHBondContact O-N 3.28Å; Y677-Y696 AromaticContact CD1-CE2 3.95Å; Y677-Y696 HydrophobicContact CD1-CE2 3.95Å; Y677-Y696 HydrophobicContact CG-CE2 4.45Å
678L82.3Confident71.6Confident0 Ų023.6 Ų23.60%011%0.114CC..EExtended strand (participates in β ladder)trans-107.7137.6-175.7-62.6176.5000112.1N269 F616 M617 I620 I667 I674 K675 F680 I689 T690 F691N269-L678 PolarHBondContact ND2-O 3.1Å; N269-L678 VanDerWaalsContact ND2-O 3.16Å; F616-L678 HydrophobicContact CE2-CD1 4.47Å; M617-L678 HydrophobicContact CE-CD1 4.41Å; M617-L678 HydrophobicContact CE-CD2 3.97Å; I620-L678 HydrophobicContact CD1-CD2 4.43Å; I667-L678 HydrophobicContact CG2-CD1 4.33Å; I674-L678 HydrophobicContact CG2-CD1 3.89Å; I674-L678 HydrophobicContact CG2-CG 4.28Å; K675-L678 PolarHBondContact O-N 3.43Å; K675-L678 VanDerWaalsContact O-O 3.1Å; L678-F680 HydrophobicContact CB-CE2 4.15Å; L678-I689 HydrophobicContact CB-CG2 4.32Å; L678-I689 HydrophobicContact CD1-CG2 3.77Å; L678-I689 HydrophobicContact CD2-CG2 4.02Å; L678-I689 HydrophobicContact CG-CG2 4.25Å; L678-T690 CarbonylContact C-O 3.58Å; L678-T690 VanDerWaalsContact CA-O 3.27Å; L678-T690 WeakPolarHBondContact CA-O 3.45Å; L678-T690 WeakPolarHBondContact CD2-O 3.3Å; L678-F691 HydrophobicContact CD2-CD1 4.24Å; L678-F691 HydrophobicContact CD2-CE1 4.26Å
679L79.4Confident71.9Confident11 Ų1122 Ų226%0.05811%0.107CC..EExtended strand (participates in β ladder)trans-110.2130172.116765.2000107.9L260 T265 L268 I681 T690 N692L260-L679 HydrophobicContact CD2-CD1 4.33Å; L260-L679 HydrophobicContact CD2-CD2 4.28Å; T265-L679 HydrophobicContact CG2-CB 4.45Å; T265-L679 HydrophobicContact CG2-CD1 3.87Å; L268-L679 HydrophobicContact CD1-CD1 3.73Å; L679-I681 HydrophobicContact CD2-CD1 3.85Å; L679-I681 HydrophobicContact CD2-CG1 3.94Å; L679-I681 HydrophobicContact CG-CD1 4.22Å; L679-I681 HydrophobicContact CG-CG1 3.77Å; L679-T690 HydrophobicContact CB-CG2 4.1Å; L679-T690 HydrophobicContact CD2-CG2 4.2Å; L679-T690 HydrophobicContact CG-CG2 4.27Å; L679-T690 PolarHBondContact N-O 3.06Å; L679-T690 PolarHBondContact O-N 3.25Å; L679-N692 HydrophobicContact CB-CB 4.44Å
680F77.1Confident72.6Confident7 Ų721.3 Ų21.33%0.03110%0.103CC..EExtended strand (participates in β ladder)trans-98.5124.8174.7-69.9-120.7000109.1N269 I667 Y668 L678 L687 L688 I689N269-F680 HydrophobicContact CB-CD2 4.2Å; N269-F680 WeakPolarHBondContact ND2-CD2 3.41Å; N269-F680 VanDerWaalsContact OD1-CB 3.31Å; N269-F680 WeakPolarHBondContact OD1-CB 3.44Å; N269-F680 WeakPolarHBondContact OD1-CD2 3.45Å; N269-F680 PolarHBondContact OD1-N 2.97Å; I667-F680 HydrophobicContact CG2-CZ 4.38Å; Y668-F680 HydrophobicContact CE1-CZ 4.35Å; Y668-F680 WeakPolarHBondContact OH-CE1 3.16Å; L678-F680 HydrophobicContact CB-CE2 4.15Å; F680-L687 HydrophobicContact CB-CD1 4.11Å; F680-L687 HydrophobicContact CB-CG 4.47Å; F680-L687 HydrophobicContact CD1-CD2 3.88Å; F680-L687 HydrophobicContact CD1-CG 4.09Å; F680-L688 CarbonylContact C-O 3.54Å; F680-L688 VanDerWaalsContact CA-O 3.24Å; F680-L688 WeakPolarHBondContact CA-O 3.26Å; F680-I689 HydrophobicContact CD1-CG1 4.1Å; F680-I689 HydrophobicContact CE1-CD1 4.04Å; F680-I689 HydrophobicContact CE1-CG1 3.79Å; F680-I689 HydrophobicContact CZ-CD1 4.29Å; F680-I689 HydrophobicContact CZ-CG1 4.19Å; F680-I689 HydrophobicContact CZ-CG2 4.49Å
681I73.8Confident73.4Confident2 Ų220.7 Ų20.71%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-119.4130.5-175.1-52.3-174.2000109.4L260 R388 L679 T683 L688 T690L260-I681 HydrophobicContact CD1-CG2 4.35Å; L260-I681 HydrophobicContact CD2-CD1 4.37Å; L260-I681 HydrophobicContact CD2-CG1 4.13Å; L260-I681 HydrophobicContact CD2-CG2 4.38Å; R388-I681 HydrophobicContact CB-CD1 4.22Å; L679-I681 HydrophobicContact CD2-CD1 3.85Å; L679-I681 HydrophobicContact CD2-CG1 3.94Å; L679-I681 HydrophobicContact CG-CD1 4.22Å; L679-I681 HydrophobicContact CG-CG1 3.77Å; I681-T683 HydrophobicContact CG2-CG2 3.93Å; I681-L688 HydrophobicContact CB-CB 4.41Å; I681-L688 PolarHBondContact N-O 3.16Å; I681-L688 PolarHBondContact O-N 3.17Å; I681-T690 HydrophobicContact CD1-CG2 3.65Å; I681-T690 HydrophobicContact CG1-CG2 4.12Å
682Y67.3Low74.1Confident95 Ų9520.7 Ų20.737%0.37310%0.099SC..EExtended strand (participates in β ladder)trans-93.6108.3170.8-170.1-103.5000110.4T256 N685 R686T256-Y682 WeakPolarHBondContact CG2-O 3.38Å; Y682-N685 WeakPolarHBondContact OH-CA 3.42Å; Y682-R686 WeakPolarHBondContact CA-O 3.3Å
683T64.6Low74.5Confident10 Ų1021.3 Ų21.36%0.06110%0.103CC..EExtended strand (participates in β ladder)trans-148158.2173.949.70000110.1T389 I681 N685 R686 L688T389-T683 HydrophobicContact CG2-CG2 3.67Å; I681-T683 HydrophobicContact CG2-CG2 3.93Å; T683-N685 PolarHBondContact O-N 3.17Å; T683-R686 PolarHBondContact N-O 2.98Å; T683-R686 WeakPolarHBondContact O-CA 3.26Å; T683-R686 WeakPolarHBondContact O-CB 3.43Å; T683-R686 PolarHBondContact O-N 3.08Å; T683-L688 VanDerWaalsContact OG1-CD1 3.26Å; T683-L688 WeakPolarHBondContact OG1-CD1 3.48Å
684D60.8Low74.4Confident43 Ų4322.2 Ų22.223%0.2311%0.107CC..THydrogen-bonded Turntrans53.430.4-174.2-171.938.5000111.9F390 R686F390-D684 HydrophobicContact CE1-CB 4.09Å; D684-R686 WeakPolarHBondContact O-CG 3.43Å; D684-R686 PolarHBondContact O-N 3.3Å; D684-R686 WeakPolarHBondContact OD2-CD 3.47Å; D684-R686 IonicContact OD2-CZ 2.69Å; D684-R686 IonicContact OD2-NE 2.75Å; D684-R686 IonicContact OD2-NH1 3.3Å; D684-R686 PolarHBondContact OD2-NH1 3.39Å
685N58.5Low74.3Confident57 Ų5722.7 Ų22.731%0.30511%0.111SC..THydrogen-bonded Turntrans51.731.9-171.3-52.3-76.7000114.7I153 Y682 T683I153-N685 HydrophobicContact CB-CB 3.72Å; I153-N685 HydrophobicContact CD1-CB 3.55Å; I153-N685 HydrophobicContact CG1-CB 4.2Å; I153-N685 HydrophobicContact CG2-CB 3.69Å; I153-N685 WeakPolarHBondContact CG2-O 3.45Å; Y682-N685 WeakPolarHBondContact OH-CA 3.42Å; T683-N685 PolarHBondContact O-N 3.17Å
686R63.5Low74.6Confident53 Ų5322.3 Ų22.320%0.211%0.109CC..EExtended strand (participates in β ladder)trans-132.3147.5-175.8-72.8159.4167.7172.3-6.1110.3T628 Y682 T683 D684 L688 N767T628-R686 HydrophobicContact CG2-CB 3.96Å; T628-R686 HydrophobicContact CG2-CG 4.4Å; Y682-R686 WeakPolarHBondContact CA-O 3.3Å; T683-R686 PolarHBondContact N-O 2.98Å; T683-R686 WeakPolarHBondContact O-CA 3.26Å; T683-R686 WeakPolarHBondContact O-CB 3.43Å; T683-R686 PolarHBondContact O-N 3.08Å; D684-R686 WeakPolarHBondContact O-CG 3.43Å; D684-R686 PolarHBondContact O-N 3.3Å; D684-R686 WeakPolarHBondContact OD2-CD 3.47Å; D684-R686 IonicContact OD2-CZ 2.69Å; D684-R686 IonicContact OD2-NE 2.75Å; D684-R686 IonicContact OD2-NH1 3.3Å; D684-R686 PolarHBondContact OD2-NH1 3.39Å; R686-L688 HydrophobicContact CB-CD2 4.33Å; R686-N767 PolarHBondContact NH1-OD1 2.62Å
687L71.8Confident74.5Confident74 Ų7423 Ų2339%0.38711%0.111SC..EExtended strand (participates in β ladder)trans-89.5119.3173.4-165.268.1000109.9F680F680-L687 HydrophobicContact CB-CD1 4.11Å; F680-L687 HydrophobicContact CB-CG 4.47Å; F680-L687 HydrophobicContact CD1-CD2 3.88Å; F680-L687 HydrophobicContact CD1-CG 4.09Å
688L77.6Confident73.8Confident0 Ų028.5 Ų28.50%013%0.133CC..EExtended strand (participates in β ladder)trans-103.9146.2-179.9-47.5-173000110.5Y625 T628 F680 I681 T683 R686 R769Y625-L688 WeakPolarHBondContact O-CD1 3.46Å; T628-L688 HydrophobicContact CG2-CD2 3.63Å; F680-L688 CarbonylContact C-O 3.54Å; F680-L688 VanDerWaalsContact CA-O 3.24Å; F680-L688 WeakPolarHBondContact CA-O 3.26Å; I681-L688 HydrophobicContact CB-CB 4.41Å; I681-L688 PolarHBondContact N-O 3.16Å; I681-L688 PolarHBondContact O-N 3.17Å; T683-L688 VanDerWaalsContact OG1-CD1 3.26Å; T683-L688 WeakPolarHBondContact OG1-CD1 3.48Å; R686-L688 HydrophobicContact CB-CD2 4.33Å; L688-R769 VanDerWaalsContact CD1-CD 3.47Å
689I80.2Confident72.5Confident5 Ų531.1 Ų31.13%0.02615%0.147CC..EExtended strand (participates in β ladder)trans-110.5111.3174-53.5178.3000107.9I620 G626 L627 F629 I667 L678 F680I620-I689 HydrophobicContact CD1-CB 4.44Å; I620-I689 HydrophobicContact CD1-CG2 3.87Å; G626-I689 CarbonylContact C-O 3.49Å; G626-I689 WeakPolarHBondContact CA-O 3.24Å; L627-I689 PolarHBondContact N-O 2.85Å; L627-I689 VanDerWaalsContact N-O 3.11Å; L627-I689 PolarHBondContact O-N 3.49Å; F629-I689 HydrophobicContact CD2-CD1 4.15Å; I667-I689 HydrophobicContact CD1-CD1 4.41Å; L678-I689 HydrophobicContact CB-CG2 4.32Å; L678-I689 HydrophobicContact CD1-CG2 3.77Å; L678-I689 HydrophobicContact CD2-CG2 4.02Å; L678-I689 HydrophobicContact CG-CG2 4.25Å; F680-I689 HydrophobicContact CD1-CG1 4.1Å; F680-I689 HydrophobicContact CE1-CD1 4.04Å; F680-I689 HydrophobicContact CE1-CG1 3.79Å; F680-I689 HydrophobicContact CZ-CD1 4.29Å; F680-I689 HydrophobicContact CZ-CG1 4.19Å; F680-I689 HydrophobicContact CZ-CG2 4.49Å
690T83.9Confident70.3Confident2 Ų235.1 Ų35.11%0.01217%0.168CC..EExtended strand (participates in β ladder)trans-128.1175.8177.2-159.70000111.8Y625 G626 L678 L679 I681 R697Y625-T690 WeakPolarHBondContact O-CB 3.38Å; G626-T690 PolarHBondContact N-OG1 3.41Å; L678-T690 CarbonylContact C-O 3.58Å; L678-T690 VanDerWaalsContact CA-O 3.27Å; L678-T690 WeakPolarHBondContact CA-O 3.45Å; L678-T690 WeakPolarHBondContact CD2-O 3.3Å; L679-T690 HydrophobicContact CB-CG2 4.1Å; L679-T690 HydrophobicContact CD2-CG2 4.2Å; L679-T690 HydrophobicContact CG-CG2 4.27Å; L679-T690 PolarHBondContact N-O 3.06Å; L679-T690 PolarHBondContact O-N 3.25Å; I681-T690 HydrophobicContact CD1-CG2 3.65Å; I681-T690 HydrophobicContact CG1-CG2 4.12Å; T690-R697 PolarHBondContact OG1-NH2 3.4Å
691F84Confident68.2Low3 Ų342.3 Ų42.31%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-77.8138.3174-76.1-74.8000112.5R388 F592 M617 I620 A621 L678 Y696 R697R388-F691 PolarHBondContact NH1-O 3.07Å; F592-F691 HydrophobicContact CE1-CE1 4.28Å; F592-F691 AromaticContact CZ-CE1 3.82Å; F592-F691 HydrophobicContact CZ-CE1 3.82Å; F592-F691 HydrophobicContact CZ-CZ 4.45Å; M617-F691 HydrophobicContact CE-CE1 4.36Å; M617-F691 HydrophobicContact CE-CZ 4.06Å; M617-F691 HydrophobicContact SD-CE1 4.29Å; M617-F691 HydrophobicContact SD-CZ 4.14Å; I620-F691 HydrophobicContact CB-CE2 4.08Å; I620-F691 HydrophobicContact CG2-CD2 3.74Å; I620-F691 HydrophobicContact CG2-CE2 3.7Å; A621-F691 HydrophobicContact CB-CE2 3.94Å; L678-F691 HydrophobicContact CD2-CD1 4.24Å; L678-F691 HydrophobicContact CD2-CE1 4.26Å; F691-Y696 HydrophobicContact CD1-CD2 4.23Å; F691-Y696 HydrophobicContact CD1-CG 4.41Å; F691-R697 HydrophobicContact CB-CG 4.36Å; F691-R697 HydrophobicContact CD2-CG 3.78Å; F691-R697 HydrophobicContact CG-CG 4.37Å
692N78.5Confident66.5Low35 Ų3550.1 Ų50.119%0.18724%0.238CC..SBendtrans-62.3-50.9177.2-172.1-12.3000110.9T265 R388 N676 Y677 L679T265-N692 WeakPolarHBondContact CG2-ND2 3.48Å; T265-N692 WeakPolarHBondContact CG2-OD1 3.38Å; T265-N692 PolarHBondContact OG1-ND2 3.49Å; R388-N692 PolarHBondContact NH2-O 3.16Å; N676-N692 PolarHBondContact O-ND2 2.96Å; Y677-N692 VanDerWaalsContact O-CB 3.29Å; Y677-N692 WeakPolarHBondContact O-CB 3.47Å; Y677-N692 PolarHBondContact O-N 3.28Å; L679-N692 HydrophobicContact CB-CB 4.44Å
693C78.1Confident64.9Low16 Ų1652.2 Ų52.211%0.10826%0.256CS..SBendtrans-112131.7174.4-170.40000110.4S695 Y696C693-S695 PolarHBondContact O-N 2.97Å; C693-Y696 HydrophobicContact CB-CD2 3.92Å; C693-Y696 HydrophobicContact CB-CE2 3.81Å; C693-Y696 HydrophobicContact CB-CG 4.34Å; C693-Y696 WeakPolarHBondContact O-CB 3.35Å; C693-Y696 PolarHBondContact O-N 3.16Å
694E73Confident63.4Low23 Ų2356.9 Ų56.911%0.10728%0.281CS..G310 helixtrans-63.6-25.5-178.8-161.171.3169.900112.5Y452 Y696 R697 Y698Y452-E694 HydrophobicContact CE1-CG 4.19Å; Y452-E694 WeakPolarHBondContact OH-CB 3.28Å; E694-Y696 PolarHBondContact O-N 2.76Å; E694-R697 WeakPolarHBondContact O-CB 3.22Å; E694-R697 PolarHBondContact O-N 3.02Å; E694-R697 IonicContact OE1-CZ 3.3Å; E694-R697 VanDerWaalsContact OE1-CZ 3.24Å; E694-R697 IonicContact OE1-NE 3.04Å; E694-R697 IonicContact OE1-NH1 2.75Å; E694-R697 PolarHBondContact OE1-NH1 2.9Å; E694-R697 WeakPolarHBondContact OE2-CD 3.34Å; E694-R697 IonicContact OE2-CZ 2.68Å; E694-R697 IonicContact OE2-NE 3.95Å; E694-R697 PolarHBondContact OE2-NE 2.89Å; E694-R697 VanDerWaalsContact OE2-NE 3.11Å; E694-R697 IonicContact OE2-NH1 2.67Å; E694-R697 PolarHBondContact OE2-NH1 3.4Å; E694-R697 IonicContact OE2-NH2 2.78Å; E694-R697 PolarHBondContact OE2-NH2 3.32Å; E694-Y698 HydrophobicContact CG-CE2 4.33Å; E694-Y698 WeakPolarHBondContact O-CD2 3.33Å
695S76.1Confident62.3Low14 Ų1460.1 Ų60.110%0.09829%0.29CS..G310 helixtrans-60.1-11.4171-53.60000114.4P335 I589 C693P335-S695 WeakPolarHBondContact CB-OG 3.3Å; P335-S695 WeakPolarHBondContact CG-OG 3.38Å; I589-S695 WeakPolarHBondContact CG1-O 3.28Å; C693-S695 PolarHBondContact O-N 2.97Å
696Y79.9Confident60.9Low6 Ų663.7 Ų63.72%0.02431%0.305CS..G310 helixtrans-86.2-8172.5-58-26.9000113.4N559 L563 L588 F592 Y677 F691 C693 E694N559-Y696 VanDerWaalsContact CG-OH 3.26Å; N559-Y696 PolarHBondContact ND2-OH 2.87Å; N559-Y696 PolarHBondContact OD1-OH 2.93Å; L563-Y696 HydrophobicContact CD1-CD1 4.36Å; L563-Y696 HydrophobicContact CD1-CE1 3.42Å; L563-Y696 VanDerWaalsContact CD1-CE1 3.42Å; L563-Y696 WeakPolarHBondContact CD1-OH 3.39Å; L588-Y696 HydrophobicContact CD1-CE1 3.91Å; L588-Y696 HydrophobicContact CD2-CE1 4.37Å; L588-Y696 HydrophobicContact CG-CE1 4.01Å; F592-Y696 HydrophobicContact CB-CD1 3.74Å; F592-Y696 HydrophobicContact CB-CE1 4.08Å; F592-Y696 AromaticContact CD1-CD1 3.95Å; F592-Y696 HydrophobicContact CD1-CD1 3.95Å; F592-Y696 HydrophobicContact CD1-CG 4.17Å; F592-Y696 AromaticContact CD2-CD1 3.91Å; F592-Y696 HydrophobicContact CD2-CD1 3.91Å; F592-Y696 HydrophobicContact CD2-CE1 4.25Å; F592-Y696 HydrophobicContact CD2-CG 4.22Å; F592-Y696 HydrophobicContact CE1-CG 4.32Å; F592-Y696 WeakPolarHBondContact CE1-O 3.46Å; F592-Y696 HydrophobicContact CE2-CG 4.38Å; F592-Y696 AromaticContact CG-CD1 3.58Å; F592-Y696 HydrophobicContact CG-CD1 3.58Å; F592-Y696 HydrophobicContact CG-CE1 4.19Å; F592-Y696 HydrophobicContact CG-CG 4.11Å; F592-Y696 HydrophobicContact CZ-CG 4.43Å; Y677-Y696 AromaticContact CD1-CE2 3.95Å; Y677-Y696 HydrophobicContact CD1-CE2 3.95Å; Y677-Y696 HydrophobicContact CG-CE2 4.45Å; F691-Y696 HydrophobicContact CD1-CD2 4.23Å; F691-Y696 HydrophobicContact CD1-CG 4.41Å; C693-Y696 HydrophobicContact CB-CD2 3.92Å; C693-Y696 HydrophobicContact CB-CE2 3.81Å; C693-Y696 HydrophobicContact CB-CG 4.34Å; C693-Y696 WeakPolarHBondContact O-CB 3.35Å; C693-Y696 PolarHBondContact O-N 3.16Å; E694-Y696 PolarHBondContact O-N 2.76Å
697R74Confident59.4Low23 Ų2367.1 Ų67.19%0.08732%0.323CS..THydrogen-bonded Turntrans-85-33.7175.4-63.1-167.9-178.1163.77113.5A621 S623 R624 T690 F691 E694 N699 Y776A621-R697 HydrophobicContact CB-CB 4.33Å; A621-R697 HydrophobicContact CB-CG 4.45Å; A621-R697 WeakPolarHBondContact O-CD 3.5Å; S623-R697 VanDerWaalsContact O-CZ 3.26Å; S623-R697 PolarHBondContact O-NH1 3.34Å; S623-R697 PolarHBondContact O-NH2 2.86Å; R624-R697 PolarHBondContact O-NH1 3.21Å; R624-R697 PolarHBondContact O-NH2 2.62Å; T690-R697 PolarHBondContact OG1-NH2 3.4Å; F691-R697 HydrophobicContact CB-CG 4.36Å; F691-R697 HydrophobicContact CD2-CG 3.78Å; F691-R697 HydrophobicContact CG-CG 4.37Å; E694-R697 WeakPolarHBondContact O-CB 3.22Å; E694-R697 PolarHBondContact O-N 3.02Å; E694-R697 IonicContact OE1-CZ 3.3Å; E694-R697 VanDerWaalsContact OE1-CZ 3.24Å; E694-R697 IonicContact OE1-NE 3.04Å; E694-R697 IonicContact OE1-NH1 2.75Å; E694-R697 PolarHBondContact OE1-NH1 2.9Å; E694-R697 WeakPolarHBondContact OE2-CD 3.34Å; E694-R697 IonicContact OE2-CZ 2.68Å; E694-R697 IonicContact OE2-NE 3.95Å; E694-R697 PolarHBondContact OE2-NE 2.89Å; E694-R697 VanDerWaalsContact OE2-NE 3.11Å; E694-R697 IonicContact OE2-NH1 2.67Å; E694-R697 PolarHBondContact OE2-NH1 3.4Å; E694-R697 IonicContact OE2-NH2 2.78Å; E694-R697 PolarHBondContact OE2-NH2 3.32Å; R697-N699 PolarHBondContact O-N 3.41Å; R697-Y776 PolarHBondContact NH1-OH 3.12Å
698Y66.3Low57.8Low119 Ų11967.3 Ų67.347%0.46732%0.322SS..  trans-72124.4-176.8-66.3-87.9000110.9I589 E694I589-Y698 WeakPolarHBondContact CG2-O 3.34Å; E694-Y698 HydrophobicContact CG-CE2 4.33Å; E694-Y698 WeakPolarHBondContact O-CD2 3.33Å
699N53.6Low55.7Low56 Ų5670 Ų7030%0.29934%0.339SS..  trans-119.3114.7165.8-87.7-42.2000108Q593 R697 E701 Y705Q593-N699 WeakPolarHBondContact CG-OD1 3.2Å; Q593-N699 PolarHBondContact NE2-OD1 2.76Å; R697-N699 PolarHBondContact O-N 3.41Å; N699-E701 PolarHBondContact O-N 3.39Å; N699-Y705 HydrophobicContact CB-CE2 3.91Å
700N33.6Very low53.4Low94 Ų9475 Ų7550%0.50336%0.36SS..  trans-74124.8173.6-73.214.7000110.1
701E32.5Very low50.9Low158 Ų15878.1 Ų78.174%0.73838%0.375SS*.  trans35.8146.9135.9-57.5-176164.400121.5N699N699-E701 PolarHBondContact O-N 3.39Å
702Q38.6Very low48.7Very low167 Ų16781.3 Ų81.378%0.7839%0.391SS*.SBendtrans66.477.8164.6-63.6169.425.900116.1
703D34.6Very low46.3Very low139 Ų13982.9 Ų82.974%0.74340%0.399SS*.SBend174.8-47.8107-86.8-11.6000111.2
704D32.8Very low43.8Very low108 Ų10885.7 Ų85.758%0.57841%0.411SS*.SBendtrans-83.5-24.1-176.8-73.1-46.1000114.3E706 Q707 H708D704-E706 VanDerWaalsContact C-N 3.33Å; D704-E706 PolarHBondContact O-N 3.39Å; D704-Q707 PolarHBondContact O-N 2.65Å; D704-H708 PolarHBondContact O-N 3.41Å
705Y36.3Very low41.7Very low111 Ų11186.8 Ų86.844%0.43542%0.421SS..Hα-helixtrans-61.1-38-171.4-110.8-94.4000113.1N699 Q707 H708 T709N699-Y705 HydrophobicContact CB-CE2 3.91Å; Y705-Q707 PolarHBondContact O-N 3.46Å; Y705-H708 PolarHBondContact O-N 3.22Å; Y705-H708 VanDerWaalsContact O-N 3.09Å; Y705-T709 HydrophobicContact CD1-CG2 4.49Å; Y705-T709 PolarHBondContact O-N 2.91Å; Y705-T709 PolarHBondContact O-OG1 3.47Å
706E30.8Very low39.5Very low131 Ų13193.1 Ų93.161%0.61244%0.444SS*.Hα-helixtrans-63.3-23.2175.9-92.2-155.1-129.500113.9D704 K710D704-E706 VanDerWaalsContact C-N 3.33Å; D704-E706 PolarHBondContact O-N 3.39Å; E706-K710 WeakPolarHBondContact O-CD 3.33Å; E706-K710 VanDerWaalsContact O-CE 3.24Å; E706-K710 WeakPolarHBondContact O-CE 3.26Å; E706-K710 VanDerWaalsContact O-CG 3.24Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 IonicContact OE2-NZ 2.66Å; E706-K710 PolarHBondContact OE2-NZ 2.93Å
707Q31.8Very low36.8Very low125 Ų12598.1 Ų98.158%0.58447%0.468SS*.Hα-helixtrans-89.4-19.7175.3-60.3-166.834.500112.4D704 Y705 Q711D704-Q707 PolarHBondContact O-N 2.65Å; Y705-Q707 PolarHBondContact O-N 3.46Å; Q707-Q711 WeakPolarHBondContact O-CG 3.48Å
708H36.6Very low34.5Very low78 Ų78102.9 Ų102.936%0.36149%0.493SS..Hα-helixtrans-93.2-36.2-177.6-71.2-17.2000113.2D704 Y705 Q711 I712D704-H708 PolarHBondContact O-N 3.41Å; Y705-H708 PolarHBondContact O-N 3.22Å; Y705-H708 VanDerWaalsContact O-N 3.09Å; H708-Q711 PolarHBondContact O-N 3.01Å; H708-I712 PolarHBondContact O-N 2.81Å
709T34.4Very low32.4Very low57 Ų57105.3 Ų105.335%0.3550%0.502SS..Hα-helixtrans-62-47.7170.151.60000110.8Y705 Q711 I712 D713Y705-T709 HydrophobicContact CD1-CG2 4.49Å; Y705-T709 PolarHBondContact O-N 2.91Å; Y705-T709 PolarHBondContact O-OG1 3.47Å; T709-Q711 PolarHBondContact O-N 3.24Å; T709-I712 WeakPolarHBondContact O-CA 3.42Å; T709-I712 WeakPolarHBondContact O-CB 3.46Å; T709-I712 PolarHBondContact O-N 2.78Å; T709-D713 PolarHBondContact O-N 2.92Å
710K32.5Very low31Very low110 Ų110108.5 Ų108.548%0.47852%0.523SS..Hα-helixtrans-62.7-8.2175.4-61.6175.5-159159.40114.8E706 D713E706-K710 WeakPolarHBondContact O-CD 3.33Å; E706-K710 VanDerWaalsContact O-CE 3.24Å; E706-K710 WeakPolarHBondContact O-CE 3.26Å; E706-K710 VanDerWaalsContact O-CG 3.24Å; E706-K710 WeakPolarHBondContact O-CG 3.49Å; E706-K710 IonicContact OE2-NZ 2.66Å; E706-K710 PolarHBondContact OE2-NZ 2.93Å; K710-D713 WeakPolarHBondContact CA-OD2 3.16Å
711Q31.7Very low30.5Very low68 Ų68110.9 Ų110.932%0.31854%0.536SS..Hα-helixtrans-99.1-22.3169.7-76.7-177.528.800113.5N641 Q707 H708 T709 D713 H714 S715N641-Q711 PolarHBondContact ND2-OE1 2.92Å; Q707-Q711 WeakPolarHBondContact O-CG 3.48Å; H708-Q711 PolarHBondContact O-N 3.01Å; T709-Q711 PolarHBondContact O-N 3.24Å; Q711-D713 VanDerWaalsContact C-N 3.34Å; Q711-H714 PolarHBondContact O-N 3.48Å; Q711-S715 PolarHBondContact O-N 2.78Å
712I36.5Very low30Very low69 Ų69109.8 Ų109.835%0.35454%0.541SS..Hα-helixtrans-68.9-38.7170.4-66.2168.2000109.3H708 T709 H714 S715 Y716H708-I712 PolarHBondContact O-N 2.81Å; T709-I712 WeakPolarHBondContact O-CA 3.42Å; T709-I712 WeakPolarHBondContact O-CB 3.46Å; T709-I712 PolarHBondContact O-N 2.78Å; I712-H714 PolarHBondContact O-N 2.8Å; I712-S715 WeakPolarHBondContact O-CB 3.43Å; I712-S715 PolarHBondContact O-N 2.94Å; I712-S715 PolarHBondContact O-OG 3.24Å; I712-Y716 HydrophobicContact CG2-CD2 4Å; I712-Y716 HydrophobicContact CG2-CE2 3.99Å; I712-Y716 WeakPolarHBondContact O-CD2 3.4Å; I712-Y716 PolarHBondContact O-N 2.9Å
713D29.3Very low29.2Very low68 Ų68107.4 Ų107.436%0.36454%0.538SS..Hα-helixtrans-48.6-47.8170.2-60.5-24.5000111.3T709 K710 Q711 S715 Y716 E717T709-D713 PolarHBondContact O-N 2.92Å; K710-D713 WeakPolarHBondContact CA-OD2 3.16Å; Q711-D713 VanDerWaalsContact C-N 3.34Å; D713-S715 VanDerWaalsContact C-N 3.32Å; D713-S715 PolarHBondContact O-N 2.95Å; D713-Y716 CarbonylContact O-C 3.56Å; D713-Y716 WeakPolarHBondContact O-CA 3.23Å; D713-Y716 PolarHBondContact O-N 3.03Å; D713-E717 PolarHBondContact O-N 3.32Å
714H25.2Very low28.7Very low75 Ų75106.7 Ų106.735%0.34754%0.538SS..Hα-helixtrans-75.3-11.7179.4-69-8.7000115.2L640 Q711 I712 E717 R719L640-H714 HydrophobicContact CD1-CB 4.01Å; L640-H714 WeakPolarHBondContact CD1-O 3.49Å; Q711-H714 PolarHBondContact O-N 3.48Å; I712-H714 PolarHBondContact O-N 2.8Å; H714-E717 IonicContact CE1-OE2 2.66Å; H714-E717 PolarHBondContact CE1-OE2 2.67Å; H714-E717 IonicContact ND1-OE2 2.84Å; H714-E717 PolarHBondContact ND1-OE2 3.24Å; H714-R719 PolarHBondContact CE1-NH2 3.23Å; H714-R719 VanDerWaalsContact CE1-NH2 3.3Å; H714-R719 PolarHBondContact NE2-NH2 3.44Å
715S29.5Very low28.3Very low47 Ų47108.4 Ų108.433%0.32955%0.548SS..Hα-helixtrans-78.6-10.4166.370.10000112.9Q711 I712 D713Q711-S715 PolarHBondContact O-N 2.78Å; I712-S715 WeakPolarHBondContact O-CB 3.43Å; I712-S715 PolarHBondContact O-N 2.94Å; I712-S715 PolarHBondContact O-OG 3.24Å; D713-S715 VanDerWaalsContact C-N 3.32Å; D713-S715 PolarHBondContact O-N 2.95Å
716Y29.1Very low27.8Very low147 Ų147110 Ų11058%0.57656%0.564SS**Hα-helixtrans-119-24.1-177.4-77.6-55.8000113.3I712 D713 F736I712-Y716 HydrophobicContact CG2-CD2 4Å; I712-Y716 HydrophobicContact CG2-CE2 3.99Å; I712-Y716 WeakPolarHBondContact O-CD2 3.4Å; I712-Y716 PolarHBondContact O-N 2.9Å; D713-Y716 CarbonylContact O-C 3.56Å; D713-Y716 WeakPolarHBondContact O-CA 3.23Å; D713-Y716 PolarHBondContact O-N 3.03Å; Y716-F736 HydrophobicContact CD1-CD2 4.28Å; Y716-F736 HydrophobicContact CD1-CE1 4.34Å; Y716-F736 AromaticContact CD1-CE2 3.36Å; Y716-F736 HydrophobicContact CD1-CE2 3.36Å; Y716-F736 AromaticContact CD1-CZ 3.37Å; Y716-F736 HydrophobicContact CD1-CZ 3.37Å; Y716-F736 HydrophobicContact CE1-CE2 4.28Å; Y716-F736 AromaticContact CE1-CZ 4Å; Y716-F736 HydrophobicContact CE1-CZ 4Å; Y716-F736 AromaticContact CG-CE2 3.82Å; Y716-F736 HydrophobicContact CG-CE2 3.82Å; Y716-F736 AromaticContact CG-CZ 3.77Å; Y716-F736 HydrophobicContact CG-CZ 3.77Å
717E23.8Very low27.6Very low111 Ų111110.9 Ų110.952%0.51957%0.573SS.*  trans-84104168.3-70.8-170.7129.700112.6D713 H714 R719D713-E717 PolarHBondContact O-N 3.32Å; H714-E717 IonicContact CE1-OE2 2.66Å; H714-E717 PolarHBondContact CE1-OE2 2.67Å; H714-E717 IonicContact ND1-OE2 2.84Å; H714-E717 PolarHBondContact ND1-OE2 3.24Å; E717-R719 PolarHBondContact O-N 2.99Å
718I25.5Very low27.4Very low122 Ų122112.5 Ų112.563%0.62659%0.585SS**  trans-7394.3164.8-57.3177.4000108.7T720I718-T720 PolarHBondContact O-N 3.43Å
719R22.5Very low26.9Very low171 Ų171116.4 Ų116.465%0.64561%0.607SS**  trans-60.8122.5175.8-74.3-166.7-177.8-164.54.9111.4H714 E717 N721H714-R719 PolarHBondContact CE1-NH2 3.23Å; H714-R719 VanDerWaalsContact CE1-NH2 3.3Å; H714-R719 PolarHBondContact NE2-NH2 3.44Å; E717-R719 PolarHBondContact O-N 2.99Å; R719-N721 PolarHBondContact O-N 3.25Å
720T23.3Very low26.5Very low122 Ų122122 Ų12275%0.74863%0.629SS**  trans-76.684.3-179.842.40000111.9I718 T722I718-T720 PolarHBondContact O-N 3.43Å; T720-T722 PolarHBondContact O-N 3.06Å
721N23Very low26.2Very low145 Ų145124.4 Ų124.478%0.77564%0.642SS**  trans-66.498.6175.8-85.4-0.5000111.8R719 T723R719-N721 PolarHBondContact O-N 3.25Å; N721-T723 PolarHBondContact O-N 3.3Å; N721-T723 VanDerWaalsContact O-N 3.07Å
722T21.5Very low26Very low135 Ų135126.9 Ų126.983%0.82866%0.657SS**  trans-83.165.7-176.440.70000113.3T720T720-T722 PolarHBondContact O-N 3.06Å
723T23.1Very low25.5Very low117 Ų117130.1 Ų130.172%0.71867%0.671SS**  trans-140.3102.216850.60000112.8N721N721-T723 PolarHBondContact O-N 3.3Å; N721-T723 VanDerWaalsContact O-N 3.07Å
724T23.6Very low25.4Very low124 Ų124132.1 Ų132.176%0.76168%0.681SS**  trans28.5118.9147.154.10000120.4
725N24.8Very low25.6Very low144 Ų144132.4 Ų132.477%0.7769%0.692SS**  trans108.2127.6147.9-59.9-9.7000118.6
726N25.4Very low25.4Very low145 Ų145134.5 Ų134.578%0.77570%0.695SS**  trans70.894.8155.3-58.9-4.4000118.7
727N26.3Very low25.6Very low149 Ų149133.3 Ų133.380%0.79770%0.695SS**  trans25.3138.8132.9-54.20.8000119.7
728N28.1Very low26.1Very low159 Ų159131.1 Ų131.185%0.8569%0.689SS**  trans92.634.7171.7-51.5-2.4000116.7
729I25.9Very low26.8Very low160 Ų160130 Ų13082%0.82168%0.683SS**  trans-121.5101.8150.9-57.6179.7000107.3
730E27Very low28Very low175 Ų175123.2 Ų123.282%0.81866%0.657SS**  trans-70.5145.1171.4-63.8-172.9131.900110N732E730-N732 PolarHBondContact O-N 3.07Å
731H24.8Very low29Very low160 Ų160118.2 Ų118.274%0.74162%0.624SS**  trans-72.4101-173.8-76.3-109.5000111.6E733H731-E733 HydrophobicContact CB-CG 4.45Å; H731-E733 PolarHBondContact O-N 3Å
732N27.4Very low29.9Very low119 Ų119116.3 Ų116.364%0.63661%0.607SS**G310 helixtrans-73.143.1175.7-84.2-22.6000114.3E730 D734 S735E730-N732 PolarHBondContact O-N 3.07Å; N732-D734 PolarHBondContact O-N 3.1Å; N732-S735 WeakPolarHBondContact O-CB 3.44Å; N732-S735 PolarHBondContact O-N 3.25Å; N732-S735 PolarHBondContact O-OG 2.74Å
733E25.6Very low30.7Very low137 Ų137115.5 Ų115.564%0.6460%0.597SS**G310 helixtrans-63.3-23.6169-67-175.8160.100111.8H731 S735 F736H731-E733 HydrophobicContact CB-CG 4.45Å; H731-E733 PolarHBondContact O-N 3Å; E733-S735 PolarHBondContact O-N 2.93Å; E733-F736 PolarHBondContact O-N 3.3Å
734D29Very low31.2Very low110 Ų110111.2 Ų111.259%0.58857%0.571SS**G310 helixtrans-57.5-14.1174.3-78.3-16.9000113.8N732 H737N732-D734 PolarHBondContact O-N 3.1Å; D734-H737 PolarHBondContact O-N 2.67Å
735S27.7Very low31.8Very low82 Ų82109.1 Ų109.157%0.57355%0.554SS**G310 helixtrans-66.7-33.1175.657.10000114.1N732 E733N732-S735 WeakPolarHBondContact O-CB 3.44Å; N732-S735 PolarHBondContact O-N 3.25Å; N732-S735 PolarHBondContact O-OG 2.74Å; E733-S735 PolarHBondContact O-N 2.93Å
736F26.8Very low32.1Very low90 Ų90107.1 Ų107.140%0.39554%0.543SS..THydrogen-bonded Turntrans-94.3-12.1174.4-113.1-60.4000113.5Y716 E733 T738Y716-F736 HydrophobicContact CD1-CD2 4.28Å; Y716-F736 HydrophobicContact CD1-CE1 4.34Å; Y716-F736 AromaticContact CD1-CE2 3.36Å; Y716-F736 HydrophobicContact CD1-CE2 3.36Å; Y716-F736 AromaticContact CD1-CZ 3.37Å; Y716-F736 HydrophobicContact CD1-CZ 3.37Å; Y716-F736 HydrophobicContact CE1-CE2 4.28Å; Y716-F736 AromaticContact CE1-CZ 4Å; Y716-F736 HydrophobicContact CE1-CZ 4Å; Y716-F736 AromaticContact CG-CE2 3.82Å; Y716-F736 HydrophobicContact CG-CE2 3.82Å; Y716-F736 AromaticContact CG-CZ 3.77Å; Y716-F736 HydrophobicContact CG-CZ 3.77Å; E733-F736 PolarHBondContact O-N 3.3Å; F736-T738 PolarHBondContact O-N 3.22Å
737H31.9Very low32.5Very low123 Ų123106.5 Ų106.557%0.56953%0.533SS*.  trans-74.162163.1-78.1-46.8000110.5D734 M739D734-H737 PolarHBondContact O-N 2.67Å; H737-M739 PolarHBondContact O-N 2.82Å
738T35.8Very low32.7Very low64 Ų64103.8 Ų103.839%0.39353%0.526SS..  trans-63.982.4164.748.20000109.2F736 Y740F736-T738 PolarHBondContact O-N 3.22Å; T738-Y740 WeakPolarHBondContact O-CD2 3.19Å; T738-Y740 WeakPolarHBondContact O-CE2 3.35Å; T738-Y740 PolarHBondContact O-N 3.08Å; T738-Y740 PolarHBondContact OG1-OH 2.8Å
739M39.5Very low32.8Very low100 Ų100101.6 Ų101.649%0.49351%0.513SS..  trans-56.3106.7163.6-75.4-169.3166.600107.5H737 Y741 K886H737-M739 PolarHBondContact O-N 2.82Å; M739-Y741 VanDerWaalsContact CB-O 3.28Å; M739-Y741 WeakPolarHBondContact CB-O 3.42Å; M739-Y741 CarbonylContact O-C 3.54Å; M739-Y741 PolarHBondContact O-N 3.3Å; M739-Y741 VanDerWaalsContact O-N 3.16Å; M739-K886 HydrophobicContact CE-CD 4.19Å
740Y46.4Very low32.9Very low28 Ų28101.6 Ų101.611%0.1151%0.507CS..SBendtrans-64.4-18.9177.6-57.9-72.3000111.7T738 C766 N767 L771 L774 D798 F799T738-Y740 WeakPolarHBondContact O-CD2 3.19Å; T738-Y740 WeakPolarHBondContact O-CE2 3.35Å; T738-Y740 PolarHBondContact O-N 3.08Å; T738-Y740 PolarHBondContact OG1-OH 2.8Å; Y740-C766 WeakPolarHBondContact O-CA 3.48Å; Y740-N767 PolarHBondContact O-N 3.19Å; Y740-L771 HydrophobicContact CD1-CD2 3.87Å; Y740-L771 HydrophobicContact CD1-CG 4.12Å; Y740-L771 HydrophobicContact CD2-CD2 4.32Å; Y740-L771 HydrophobicContact CG-CD2 3.68Å; Y740-L771 HydrophobicContact CG-CG 4.19Å; Y740-L774 HydrophobicContact CE1-CD2 3.92Å; Y740-L774 WeakPolarHBondContact OH-CD2 3.32Å; Y740-D798 HydrophobicContact CD2-CB 4.2Å; Y740-F799 HydrophobicContact CE2-CB 4.4Å
741Y45.2Very low33Very low16 Ų1698.5 Ų98.56%0.06350%0.496CS..EExtended strand (participates in β ladder)trans-84.1119.1159.6-23.5-82.6000111.1M739 L743 Y764 D798 L801 G802 L805M739-Y741 VanDerWaalsContact CB-O 3.28Å; M739-Y741 WeakPolarHBondContact CB-O 3.42Å; M739-Y741 CarbonylContact O-C 3.54Å; M739-Y741 PolarHBondContact O-N 3.3Å; M739-Y741 VanDerWaalsContact O-N 3.16Å; Y741-L743 PolarHBondContact O-N 3.34Å; Y741-Y764 HydrophobicContact CD1-CD1 4.25Å; Y741-Y764 HydrophobicContact CG-CD1 4.3Å; Y741-D798 HydrophobicContact CE2-CB 4.21Å; Y741-D798 VanDerWaalsContact OH-CA 3.3Å; Y741-D798 WeakPolarHBondContact OH-CA 3.44Å; Y741-D798 PolarHBondContact OH-O 2.81Å; Y741-L801 HydrophobicContact CE1-CB 4.46Å; Y741-L801 HydrophobicContact CE1-CD2 4.31Å; Y741-L801 HydrophobicContact CE1-CG 3.89Å; Y741-L801 WeakPolarHBondContact OH-CB 3.2Å; Y741-L801 WeakPolarHBondContact OH-CD2 3.5Å; Y741-L801 VanDerWaalsContact OH-CG 3.26Å; Y741-L801 WeakPolarHBondContact OH-CG 3.23Å; Y741-G802 VanDerWaalsContact CE1-CA 3.44Å; Y741-G802 PolarHBondContact OH-N 3.34Å; Y741-L805 HydrophobicContact CD1-CD1 3.87Å; Y741-L805 HydrophobicContact CE1-CD1 3.71Å
742W41Very low33.2Very low106 Ų10697.3 Ų97.340%0.40250%0.495SS..EExtended strand (participates in β ladder)trans-65.4130.4153.4-64.181.9000108.9L164 I765L164-W742 HydrophobicContact CD1-CZ3 4.15Å; W742-I765 WeakPolarHBondContact CA-O 3.13Å; W742-I765 HydrophobicContact CB-CB 4.11Å; W742-I765 HydrophobicContact CB-CG2 4.32Å; W742-I765 VanDerWaalsContact CB-O 3.31Å; W742-I765 WeakPolarHBondContact CB-O 3.22Å; W742-I765 PolarHBondContact N-O 3.37Å; W742-I765 PolarHBondContact O-N 2.84Å
743L39.1Very low33.5Very low118 Ų11897.7 Ų97.762%0.61850%0.502SS*.  trans7.5109.9165-75.6162.2000115.3L164 Y741 M745L164-L743 HydrophobicContact CD2-CD1 4.34Å; Y741-L743 PolarHBondContact O-N 3.34Å; L743-M745 PolarHBondContact O-N 3.04Å
744S34.5Very low33.8Very low26 Ų2698.2 Ų98.218%0.18251%0.509CS..  trans-54.9110.7162.561.60000108.6N746S744-N746 VanDerWaalsContact C-N 3.33Å; S744-N746 PolarHBondContact O-N 3Å; S744-N746 PolarHBondContact O-OD1 3.01Å
745M35.1Very low33.8Very low81 Ų8197.1 Ų97.140%0.39950%0.502SS..  trans-64.891-175.9-83.1-92.1176.300110L743 K747 H763L743-M745 PolarHBondContact O-N 3.04Å; M745-K747 PolarHBondContact O-N 3.37Å; M745-K747 HydrophobicContact SD-CD 3.66Å; M745-K747 WeakPolarHBondContact SD-CE 3.35Å; M745-K747 HydrophobicContact SD-CG 4.08Å; M745-K747 PolarHBondContact SD-NZ 2.78Å; M745-H763 PolarHBondContact N-O 2.86Å
746N31.7Very low33.8Very low102 Ų10296.2 Ų96.255%0.54549%0.493SS..  trans-71.543.2171.8-68-12.3000111S744 S748S744-N746 VanDerWaalsContact C-N 3.33Å; S744-N746 PolarHBondContact O-N 3Å; S744-N746 PolarHBondContact O-OD1 3.01Å; N746-S748 PolarHBondContact O-N 3.35Å
747K32.8Very low33.9Very low131 Ų13195.8 Ų95.857%0.5749%0.494SS*.  trans-78.2113.5176.1-78.7-178.7172.4165.10108.1M745 I749M745-K747 PolarHBondContact O-N 3.37Å; M745-K747 HydrophobicContact SD-CD 3.66Å; M745-K747 WeakPolarHBondContact SD-CE 3.35Å; M745-K747 HydrophobicContact SD-CG 4.08Å; M745-K747 PolarHBondContact SD-NZ 2.78Å; K747-I749 HydrophobicContact CB-CD1 4.47Å; K747-I749 HydrophobicContact CB-CG1 3.84Å; K747-I749 PolarHBondContact O-N 2.91Å
748S31.2Very low34.1Very low93 Ų9390.9 Ų90.965%0.6548%0.477SS*.  trans-66.466.6161.856.10000109.9N746 K750N746-S748 PolarHBondContact O-N 3.35Å; S748-K750 PolarHBondContact O-N 3.09Å
749I29.8Very low34.1Very low112 Ų11289.3 Ų89.357%0.57447%0.467SS*.  trans-65.6108.9170.4-53-179.6000105.7K747 L751K747-I749 HydrophobicContact CB-CD1 4.47Å; K747-I749 HydrophobicContact CB-CG1 3.84Å; K747-I749 PolarHBondContact O-N 2.91Å; I749-L751 HydrophobicContact CG2-CD2 4.17Å; I749-L751 HydrophobicContact CG2-CG 3.96Å; I749-L751 PolarHBondContact O-N 3.28Å
750K29.1Very low34.2Very low160 Ų16088.9 Ų88.970%0.69646%0.461SS*.  trans-63.980.2160.9-67.8177.4-177.4170.60107.3S748S748-K750 PolarHBondContact O-N 3.09Å
751L28.6Very low34Very low111 Ų11190.7 Ų90.758%0.58147%0.472SS*.  trans-63139.3161.5-75168.6000106.8I749 I755I749-L751 HydrophobicContact CG2-CD2 4.17Å; I749-L751 HydrophobicContact CG2-CG 3.96Å; I749-L751 PolarHBondContact O-N 3.28Å; L751-I755 HydrophobicContact CB-CD1 4.28Å; L751-I755 HydrophobicContact CD1-CG2 4.42Å; L751-I755 HydrophobicContact CD2-CD1 4.19Å
752N28.3Very low34.2Very low135 Ų13592.5 Ų92.572%0.72248%0.48SS*.  trans-60.5150.1-175.6-73.5-22.4000110.6D754 I755N752-D754 PolarHBondContact O-N 2.84Å; N752-I755 PolarHBondContact O-N 3.13Å; N752-I755 VanDerWaalsContact O-N 3.14Å
753T35.2Very low34.6Very low126 Ų12693.8 Ų93.877%0.77349%0.491SS*.THydrogen-bonded Turntrans-60.6-4.8-155.144.40000117.5
754D30.5Very low35.4Very low149 Ų14990 Ų9080%0.79747%0.468SS*.THydrogen-bonded Turntrans-106.4-0.2-174-40.7-30000111.8N752N752-D754 PolarHBondContact O-N 2.84Å
755I30.2Very low36.4Very low87 Ų8793.1 Ų93.145%0.44648%0.482SS..SBendtrans-91.9119.1170.5-61.6173.1000108.3L751 N752 I757L751-I755 HydrophobicContact CB-CD1 4.28Å; L751-I755 HydrophobicContact CD1-CG2 4.42Å; L751-I755 HydrophobicContact CD2-CD1 4.19Å; N752-I755 PolarHBondContact O-N 3.13Å; N752-I755 VanDerWaalsContact O-N 3.14Å; I755-I757 PolarHBondContact O-N 3.41Å
756V26.8Very low37.5Very low62 Ų6289.9 Ų89.938%0.37647%0.468SS..PPolyproline II helixtrans-60124.1-168-149.20000111.8N1797V756-N1797 PolarHBondContact O-ND2 3.01Å
757I29.3Very low39Very low81 Ų8185.3 Ų85.342%0.41544%0.443SS..PPolyproline II helixtrans-67.7147.1-163.1-67.1167.6000111.8I755 L1792I755-I757 PolarHBondContact O-N 3.41Å; I757-L1792 HydrophobicContact CG2-CD1 4.41Å; I757-L1792 WeakPolarHBondContact O-CD1 3.48Å
758G35.3Very low40.5Very low20 Ų2079.2 Ų79.221%0.20642%0.417CS..  trans88.133.3139.800000119.8
759T36.3Very low42.3Very low32 Ų3274.9 Ų74.920%0.19639%0.386CS..  trans-91.9122.3147.656.90000111.9N761 N1797 L1798 V1848T759-N761 PolarHBondContact O-N 3.37Å; T759-N1797 WeakPolarHBondContact CG2-O 3.16Å; T759-N1797 PolarHBondContact OG1-O 2.91Å; T759-L1798 VanDerWaalsContact CG2-CA 3.5Å; T759-L1798 HydrophobicContact CG2-CD2 4.33Å; T759-V1848 HydrophobicContact CG2-CG2 4.05Å
760Y42.5Very low44.3Very low90 Ų9074.2 Ų74.235%0.35338%0.377SS..  trans-72.970.6155.8-92.9-117.3000108.5K762 P1847Y760-K762 PolarHBondContact O-N 2.81Å; Y760-P1847 HydrophobicContact CD2-CB 3.5Å; Y760-P1847 VanDerWaalsContact CD2-CB 3.5Å; Y760-P1847 HydrophobicContact CE2-CB 3.94Å; Y760-P1847 HydrophobicContact CG-CB 3.9Å
761N41.4Very low46.3Very low67 Ų6766.6 Ų66.636%0.35834%0.344SS..  trans-65.585.6151.1-77.9-5.8000106.1T759 H763 R1851T759-N761 PolarHBondContact O-N 3.37Å; N761-H763 PolarHBondContact O-N 3.33Å; N761-H763 PolarHBondContact O-ND1 2.89Å; N761-R1851 PolarHBondContact OD1-NH1 2.99Å; N761-R1851 PolarHBondContact OD1-NH2 2.97Å
762K49.5Very low48.4Very low53 Ų5361.5 Ų61.523%0.2332%0.317CS..  trans-52.3113.3173.3-81.6-173.7166.4-158.70107.9Y760 Y764 K886Y760-K762 PolarHBondContact O-N 2.81Å; K762-Y764 HydrophobicContact CB-CD2 4.26Å; K762-Y764 HydrophobicContact CB-CE1 4.16Å; K762-Y764 HydrophobicContact CB-CE2 3.61Å; K762-Y764 HydrophobicContact CD-CE1 4.3Å; K762-Y764 WeakPolarHBondContact CD-OH 3.48Å; K762-Y764 WeakPolarHBondContact O-CD2 3.47Å; K762-Y764 VanDerWaalsContact O-CE2 3.26Å; K762-Y764 WeakPolarHBondContact O-CE2 3.46Å; K762-Y764 PolarHBondContact O-N 2.74Å; K762-Y764 VanDerWaalsContact O-N 3.11Å; K762-K886 PolarHBondContact NZ-O 3.01Å
763H49.3Very low50.6Low134 Ų13455.3 Ų55.362%0.6228%0.284SS*.  trans-77.399.7175.6-73.151.7000107.4M745 N761M745-H763 PolarHBondContact N-O 2.86Å; N761-H763 PolarHBondContact O-N 3.33Å; N761-H763 PolarHBondContact O-ND1 2.89Å
764Y56.5Low52.7Low37 Ų3750.8 Ų50.815%0.14526%0.255CS..  trans-83.5128.5174.3-57-84.5000109Y741 K762 L805 T851 V887Y741-Y764 HydrophobicContact CD1-CD1 4.25Å; Y741-Y764 HydrophobicContact CG-CD1 4.3Å; K762-Y764 HydrophobicContact CB-CD2 4.26Å; K762-Y764 HydrophobicContact CB-CE1 4.16Å; K762-Y764 HydrophobicContact CB-CE2 3.61Å; K762-Y764 HydrophobicContact CD-CE1 4.3Å; K762-Y764 WeakPolarHBondContact CD-OH 3.48Å; K762-Y764 WeakPolarHBondContact O-CD2 3.47Å; K762-Y764 VanDerWaalsContact O-CE2 3.26Å; K762-Y764 WeakPolarHBondContact O-CE2 3.46Å; K762-Y764 PolarHBondContact O-N 2.74Å; K762-Y764 VanDerWaalsContact O-N 3.11Å; Y764-L805 HydrophobicContact CD1-CD1 4.06Å; Y764-L805 HydrophobicContact CD2-CD1 3.51Å; Y764-L805 HydrophobicContact CD2-CD2 3.71Å; Y764-L805 HydrophobicContact CD2-CG 4.27Å; Y764-L805 HydrophobicContact CE2-CD1 4.04Å; Y764-L805 HydrophobicContact CE2-CD2 4.37Å; Y764-L805 HydrophobicContact CG-CD1 3.54Å; Y764-L805 HydrophobicContact CG-CD2 4.35Å; Y764-T851 HydrophobicContact CE2-CG2 3.82Å; Y764-V887 HydrophobicContact CE1-CG2 4.33Å
765I55.2Low54.9Low92 Ų9243.7 Ų43.747%0.47222%0.217SC..EExtended strand (participates in β ladder)trans-109102.5176.3-64.9169.3000106.7W742W742-I765 WeakPolarHBondContact CA-O 3.13Å; W742-I765 HydrophobicContact CB-CB 4.11Å; W742-I765 HydrophobicContact CB-CG2 4.32Å; W742-I765 VanDerWaalsContact CB-O 3.31Å; W742-I765 WeakPolarHBondContact CB-O 3.22Å; W742-I765 PolarHBondContact N-O 3.37Å; W742-I765 PolarHBondContact O-N 2.84Å
766C58.7Low57Low14 Ų1440.3 Ų40.310%0.09520%0.198CC..EExtended strand (participates in β ladder)trans-93.7146.6-176-55.40000111Y740 A768 L771 L805 L806Y740-C766 WeakPolarHBondContact O-CA 3.48Å; C766-A768 PolarHBondContact O-N 2.69Å; C766-L771 HydrophobicContact CB-CD1 4.1Å; C766-L805 VanDerWaalsContact SG-CB 3.57Å; C766-L806 HydrophobicContact CB-CD2 3.46Å; C766-L806 VanDerWaalsContact CB-CD2 3.46Å; C766-L806 HydrophobicContact CB-CG 3.7Å; C766-L806 WeakPolarHBondContact O-CD2 3.48Å
767N62.9Low59.3Low6 Ų640.6 Ų40.63%0.03220%0.196CC..  trans-88.196.3176.6-171.6-27.3000110.5R686 Y740 R769 R770 L771R686-N767 PolarHBondContact NH1-OD1 2.62Å; Y740-N767 PolarHBondContact O-N 3.19Å; N767-R769 VanDerWaalsContact C-N 3.3Å; N767-R769 PolarHBondContact O-N 3.24Å; N767-R770 HydrophobicContact CB-CB 4.19Å; N767-R770 HydrophobicContact CB-CG 4.48Å; N767-R770 WeakPolarHBondContact ND2-CD 3.23Å; N767-R770 WeakPolarHBondContact ND2-CG 3.39Å; N767-R770 PolarHBondContact ND2-NE 2.89Å; N767-R770 PolarHBondContact O-N 3.4Å; N767-R770 PolarHBondContact OD1-N 3.16Å; N767-L771 PolarHBondContact O-N 3.28Å; N767-L771 VanDerWaalsContact O-N 3.12Å
768A63.3Low61.4Low2 Ų237.7 Ų37.72%0.01718%0.181CC..Hα-helixtrans-51.4-47.1-172.400000113.4F390 C766 T772 L806F390-A768 HydrophobicContact CD1-CB 4.26Å; F390-A768 HydrophobicContact CD2-CB 4.16Å; F390-A768 HydrophobicContact CE1-CB 3.97Å; F390-A768 HydrophobicContact CE2-CB 3.85Å; F390-A768 HydrophobicContact CG-CB 4.36Å; F390-A768 HydrophobicContact CZ-CB 3.76Å; C766-A768 PolarHBondContact O-N 2.69Å; A768-T772 PolarHBondContact O-N 2.93Å; A768-T772 PolarHBondContact O-OG1 3.13Å; A768-L806 VanDerWaalsContact CA-CD2 3.47Å; A768-L806 HydrophobicContact CB-CD1 4.27Å; A768-L806 HydrophobicContact CB-CD2 3.67Å
769R70.6Confident63.2Low3 Ų337.6 Ų37.61%0.01118%0.176CC..Hα-helixtrans-71.2-50.3-177.9-178.7167.946.780.219112.2Y625 G626 E631 L688 N767 L771 T772 E773Y625-R769 HydrophobicContact CD2-CG 3.86Å; G626-R769 PolarHBondContact O-NH1 2.97Å; E631-R769 IonicContact OE1-NH2 3.3Å; E631-R769 PolarHBondContact OE1-NH2 2.84Å; E631-R769 IonicContact OE2-CZ 2.73Å; E631-R769 IonicContact OE2-NH1 3.89Å; E631-R769 PolarHBondContact OE2-NH1 3.27Å; E631-R769 IonicContact OE2-NH2 3.9Å; E631-R769 PolarHBondContact OE2-NH2 3.4Å; L688-R769 VanDerWaalsContact CD1-CD 3.47Å; N767-R769 VanDerWaalsContact C-N 3.3Å; N767-R769 PolarHBondContact O-N 3.24Å; R769-L771 PolarHBondContact O-N 2.77Å; R769-T772 CarbonylContact O-C 3.36Å; R769-T772 PolarHBondContact O-N 3.3Å; R769-T772 PolarHBondContact O-OG1 3.04Å; R769-T772 VanDerWaalsContact O-OG1 3.08Å; R769-E773 IonicContact NH1-OE2 3.41Å; R769-E773 PolarHBondContact NH1-OE2 3.29Å; R769-E773 WeakPolarHBondContact O-CB 3.18Å; R769-E773 PolarHBondContact O-N 3.47Å
770R70.3Confident64.7Low98 Ų9840.7 Ų40.737%0.3719%0.188SC..Hα-helixtrans-57.4-39.1179.3-73.3-171.1-169.5-169.31112.3E631 N767 T772 E773 L774E631-R770 IonicContact OE1-CZ 2.7Å; E631-R770 VanDerWaalsContact OE1-CZ 3.31Å; E631-R770 IonicContact OE1-NE 2.81Å; E631-R770 PolarHBondContact OE1-NE 3.35Å; E631-R770 IonicContact OE1-NH2 3.41Å; E631-R770 PolarHBondContact OE1-NH2 3.46Å; N767-R770 HydrophobicContact CB-CB 4.19Å; N767-R770 HydrophobicContact CB-CG 4.48Å; N767-R770 WeakPolarHBondContact ND2-CD 3.23Å; N767-R770 WeakPolarHBondContact ND2-CG 3.39Å; N767-R770 PolarHBondContact ND2-NE 2.89Å; N767-R770 PolarHBondContact O-N 3.4Å; N767-R770 PolarHBondContact OD1-N 3.16Å; R770-T772 VanDerWaalsContact C-N 3.31Å; R770-T772 PolarHBondContact O-N 3.13Å; R770-E773 PolarHBondContact O-N 2.74Å; R770-L774 WeakPolarHBondContact O-CB 3.3Å; R770-L774 PolarHBondContact O-N 3.24Å
771L72.3Confident65.8Low0 Ų040.3 Ų40.30%019%0.191CC..Hα-helixtrans-64.7-29174.9-85.3162.7000113.6Y740 C766 N767 R769 P775 F799 G802 K803 L806Y740-L771 HydrophobicContact CD1-CD2 3.87Å; Y740-L771 HydrophobicContact CD1-CG 4.12Å; Y740-L771 HydrophobicContact CD2-CD2 4.32Å; Y740-L771 HydrophobicContact CG-CD2 3.68Å; Y740-L771 HydrophobicContact CG-CG 4.19Å; C766-L771 HydrophobicContact CB-CD1 4.1Å; N767-L771 PolarHBondContact O-N 3.28Å; N767-L771 VanDerWaalsContact O-N 3.12Å; R769-L771 PolarHBondContact O-N 2.77Å; L771-P775 WeakPolarHBondContact O-CD 3.39Å; L771-F799 HydrophobicContact CD2-CD2 3.66Å; L771-F799 HydrophobicContact CD2-CE2 3.84Å; L771-F799 HydrophobicContact CD2-CG 4.24Å; L771-F799 WeakPolarHBondContact O-CE2 3.49Å; L771-F799 VanDerWaalsContact O-CZ 3.22Å; L771-F799 WeakPolarHBondContact O-CZ 3.19Å; L771-G802 VanDerWaalsContact CD1-C 3.45Å; L771-G802 WeakPolarHBondContact CD1-O 3.03Å; L771-K803 HydrophobicContact CB-CD 4.28Å; L771-K803 WeakPolarHBondContact O-CE 3.47Å; L771-K803 PolarHBondContact O-NZ 2.98Å; L771-L806 HydrophobicContact CB-CD1 4.31Å; L771-L806 HydrophobicContact CD1-CD1 3.72Å; L771-L806 HydrophobicContact CD1-CG 4.24Å
772T72.8Confident66.9Low4 Ų438.4 Ų38.43%0.02519%0.188CC..Hα-helixtrans-99.2-6.4177.847.60000113.8F390 Y625 A768 R769 R770F390-T772 HydrophobicContact CB-CG2 4.18Å; F390-T772 WeakPolarHBondContact CB-OG1 3.37Å; Y625-T772 VanDerWaalsContact CE2-OG1 3.31Å; Y625-T772 WeakPolarHBondContact CE2-OG1 3.37Å; Y625-T772 WeakPolarHBondContact OH-CB 3.39Å; A768-T772 PolarHBondContact O-N 2.93Å; A768-T772 PolarHBondContact O-OG1 3.13Å; R769-T772 CarbonylContact O-C 3.36Å; R769-T772 PolarHBondContact O-N 3.3Å; R769-T772 PolarHBondContact O-OG1 3.04Å; R769-T772 VanDerWaalsContact O-OG1 3.08Å; R770-T772 VanDerWaalsContact C-N 3.31Å; R770-T772 PolarHBondContact O-N 3.13Å
773E73.8Confident67.4Low5 Ų539.2 Ų39.22%0.02320%0.2CC..Hα-helixtrans-97.6-40.8179.5-169.2-179.4164.200111.6S623 R624 R769 R770 Y776 Q777S623-E773 WeakPolarHBondContact CA-OE1 3.24Å; S623-E773 WeakPolarHBondContact CB-OE1 3.38Å; R624-E773 HydrophobicContact CB-CG 4.44Å; R769-E773 IonicContact NH1-OE2 3.41Å; R769-E773 PolarHBondContact NH1-OE2 3.29Å; R769-E773 WeakPolarHBondContact O-CB 3.18Å; R769-E773 PolarHBondContact O-N 3.47Å; R770-E773 PolarHBondContact O-N 2.74Å; E773-Y776 WeakPolarHBondContact O-CB 3.39Å; E773-Y776 PolarHBondContact O-N 3.17Å; E773-Y776 VanDerWaalsContact O-N 3.09Å; E773-Q777 HydrophobicContact CG-CG 4.25Å; E773-Q777 PolarHBondContact O-N 3.43Å; E773-Q777 PolarHBondContact OE1-NE2 2.94Å
774L78.6Confident68Low31 Ų3139 Ų3916%0.16220%0.204CC..Hα-helixtrans-52.5-46.2177.617571.1000114Y740 R770 Y776 Q777 L778 V793 F799Y740-L774 HydrophobicContact CE1-CD2 3.92Å; Y740-L774 WeakPolarHBondContact OH-CD2 3.32Å; R770-L774 WeakPolarHBondContact O-CB 3.3Å; R770-L774 PolarHBondContact O-N 3.24Å; L774-Y776 VanDerWaalsContact C-N 3.26Å; L774-Y776 PolarHBondContact O-N 3.4Å; L774-Q777 PolarHBondContact O-N 2.76Å; L774-L778 HydrophobicContact CD1-CD1 3.89Å; L774-L778 HydrophobicContact CD1-CG 4.08Å; L774-L778 HydrophobicContact CG-CD1 4.11Å; L774-L778 WeakPolarHBondContact O-CG 3.41Å; L774-L778 PolarHBondContact O-N 3.49Å; L774-V793 HydrophobicContact CD2-CG2 3.71Å; L774-V793 HydrophobicContact CG-CG2 3.79Å; L774-F799 HydrophobicContact CD2-CD2 4.14Å; L774-F799 HydrophobicContact CD2-CE2 4.23Å
775P77.4Confident68.5Low0 Ų039.6 Ų39.60%021%0.209CC..Hα-helixtrans-64.7-32.1179.7-21.134.8000112.7L771 L779 V793 F799 L820L771-P775 WeakPolarHBondContact O-CD 3.39Å; P775-L779 VanDerWaalsContact O-CB 3.27Å; P775-L779 WeakPolarHBondContact O-CB 3.26Å; P775-L779 PolarHBondContact O-N 3.18Å; P775-V793 HydrophobicContact CB-CG1 4.05Å; P775-V793 HydrophobicContact CB-CG2 4.37Å; P775-V793 HydrophobicContact CG-CG1 3.87Å; P775-V793 HydrophobicContact CG-CG2 4.07Å; P775-F799 HydrophobicContact CG-CE1 4.47Å; P775-F799 HydrophobicContact CG-CE2 3.84Å; P775-F799 HydrophobicContact CG-CZ 3.43Å; P775-F799 VanDerWaalsContact CG-CZ 3.43Å; P775-L820 HydrophobicContact CB-CD1 4.21Å; P775-L820 HydrophobicContact CB-CD2 3.94Å
776Y74.5Confident69.5Low15 Ų1535.3 Ų35.36%0.05919%0.188CC..Hα-helixtrans-74.6-44.1176.3172.9-86.8000111.3R624 R697 E773 L774 L778 L779 Q780R624-Y776 HydrophobicContact CB-CD1 3.59Å; R624-Y776 HydrophobicContact CB-CD2 4.18Å; R624-Y776 HydrophobicContact CB-CE1 3.97Å; R624-Y776 HydrophobicContact CB-CG 3.69Å; R624-Y776 HydrophobicContact CG-CD1 4.17Å; R624-Y776 HydrophobicContact CG-CD2 3.82Å; R624-Y776 HydrophobicContact CG-CE1 4.43Å; R624-Y776 HydrophobicContact CG-CE2 4.11Å; R624-Y776 HydrophobicContact CG-CG 3.84Å; R697-Y776 PolarHBondContact NH1-OH 3.12Å; E773-Y776 WeakPolarHBondContact O-CB 3.39Å; E773-Y776 PolarHBondContact O-N 3.17Å; E773-Y776 VanDerWaalsContact O-N 3.09Å; L774-Y776 VanDerWaalsContact C-N 3.26Å; L774-Y776 PolarHBondContact O-N 3.4Å; Y776-L778 VanDerWaalsContact C-N 3.32Å; Y776-L778 PolarHBondContact O-N 2.88Å; Y776-L779 WeakPolarHBondContact O-CB 3.46Å; Y776-L779 PolarHBondContact O-N 3.25Å; Y776-L779 VanDerWaalsContact O-N 3.15Å; Y776-Q780 HydrophobicContact CD1-CG 4.02Å; Y776-Q780 HydrophobicContact CD2-CG 4.48Å; Y776-Q780 HydrophobicContact CE1-CG 3.77Å; Y776-Q780 HydrophobicContact CE2-CG 4.27Å; Y776-Q780 HydrophobicContact CG-CG 4.38Å; Y776-Q780 VanDerWaalsContact O-CG 3.27Å; Y776-Q780 WeakPolarHBondContact O-CG 3.26Å; Y776-Q780 PolarHBondContact O-N 3.33Å
777Q74.2Confident70.4Confident69 Ų6939.8 Ų39.832%0.32221%0.207SC..Hα-helixtrans-55.4-47.9174.3-74175.1-5.500111C622 E773 L774 L779 Q780 L781C622-Q777 WeakPolarHBondContact O-CG 3.33Å; E773-Q777 HydrophobicContact CG-CG 4.25Å; E773-Q777 PolarHBondContact O-N 3.43Å; E773-Q777 PolarHBondContact OE1-NE2 2.94Å; L774-Q777 PolarHBondContact O-N 2.76Å; Q777-L779 PolarHBondContact O-N 3.34Å; Q777-Q780 PolarHBondContact O-N 3.4Å; Q777-L781 PolarHBondContact O-N 3.46Å
778L74.4Confident71.1Confident19 Ų1941.7 Ų41.710%0.09922%0.217CC..Hα-helixtrans-68.8-30.2178-63.9176.9000113.3L774 Y776 L781 D788 L789 V793L774-L778 HydrophobicContact CD1-CD1 3.89Å; L774-L778 HydrophobicContact CD1-CG 4.08Å; L774-L778 HydrophobicContact CG-CD1 4.11Å; L774-L778 WeakPolarHBondContact O-CG 3.41Å; L774-L778 PolarHBondContact O-N 3.49Å; Y776-L778 VanDerWaalsContact C-N 3.32Å; Y776-L778 PolarHBondContact O-N 2.88Å; L778-L781 HydrophobicContact CD2-CD1 4.12Å; L778-D788 HydrophobicContact CD2-CB 4.21Å; L778-L789 HydrophobicContact CB-CB 4.07Å; L778-L789 HydrophobicContact CB-CD1 4.08Å; L778-L789 HydrophobicContact CB-CG 4.04Å; L778-L789 HydrophobicContact CD1-CB 4.37Å; L778-V793 HydrophobicContact CD1-CG2 3.92Å
779L72.4Confident71.9Confident19 Ų1941.6 Ų41.610%0.09922%0.216CC..Hα-helixtrans-68.9-39.6173.1-169.678.5000111.9P775 Y776 Q777 L781 G782 L789 Y819 L820 L823P775-L779 VanDerWaalsContact O-CB 3.27Å; P775-L779 WeakPolarHBondContact O-CB 3.26Å; P775-L779 PolarHBondContact O-N 3.18Å; Y776-L779 WeakPolarHBondContact O-CB 3.46Å; Y776-L779 PolarHBondContact O-N 3.25Å; Y776-L779 VanDerWaalsContact O-N 3.15Å; Q777-L779 PolarHBondContact O-N 3.34Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 2.92Å; L779-G782 PolarHBondContact O-N 3.25Å; L779-L789 HydrophobicContact CB-CD1 4.45Å; L779-L789 HydrophobicContact CD1-CD1 4.42Å; L779-Y819 HydrophobicContact CD2-CD1 4.49Å; L779-Y819 HydrophobicContact CD2-CE1 3.66Å; L779-Y819 HydrophobicContact CD2-CE2 4.28Å; L779-Y819 WeakPolarHBondContact CD2-OH 3.44Å; L779-L820 HydrophobicContact CD1-CD2 4.23Å; L779-L823 HydrophobicContact CD1-CD1 3.82Å; L779-L823 HydrophobicContact CD1-CD2 4.16Å; L779-L823 HydrophobicContact CD1-CG 3.67Å
780Q67.6Low72.5Confident96 Ų9641.7 Ų41.745%0.44922%0.217SC..Hα-helixtrans-72-16.6179.9-66.7-65.8-15.700113.4Y776 Q777 G782Y776-Q780 HydrophobicContact CD1-CG 4.02Å; Y776-Q780 HydrophobicContact CD2-CG 4.48Å; Y776-Q780 HydrophobicContact CE1-CG 3.77Å; Y776-Q780 HydrophobicContact CE2-CG 4.27Å; Y776-Q780 HydrophobicContact CG-CG 4.38Å; Y776-Q780 VanDerWaalsContact O-CG 3.27Å; Y776-Q780 WeakPolarHBondContact O-CG 3.26Å; Y776-Q780 PolarHBondContact O-N 3.33Å; Q777-Q780 PolarHBondContact O-N 3.4Å; Q780-G782 PolarHBondContact O-N 3Å
781L66.7Low73Confident82 Ų8241.6 Ų41.643%0.42922%0.219SC..THydrogen-bonded Turntrans-73.3-7.7169.9-67.3174.7000113.4Q777 L778 L779 N785Q777-L781 PolarHBondContact O-N 3.46Å; L778-L781 HydrophobicContact CD2-CD1 4.12Å; L779-L781 VanDerWaalsContact C-N 3.27Å; L779-L781 PolarHBondContact O-N 2.92Å; L781-N785 HydrophobicContact CB-CB 4.38Å; L781-N785 HydrophobicContact CD1-CB 4.38Å
782G63.1Low73.3Confident28 Ų2844.3 Ų44.329%0.28923%0.232SC..THydrogen-bonded Turntrans82-150.917200000114.9L779 Q780 D784L779-G782 PolarHBondContact O-N 3.25Å; Q780-G782 PolarHBondContact O-N 3Å; G782-D784 VanDerWaalsContact C-N 3.3Å; G782-D784 PolarHBondContact O-N 3.44Å
783S61.3Low73.7Confident70 Ų7044.1 Ų44.149%0.4923%0.231SC..THydrogen-bonded Turntrans-71.1-19.4-170.741.40000115.4V786 Q825S783-V786 WeakPolarHBondContact O-CG2 3.42Å; S783-Q825 PolarHBondContact O-NE2 3.05Å; S783-Q825 VanDerWaalsContact O-NE2 3.13Å
784D62.3Low74.2Confident129 Ų12943.9 Ų43.969%0.6923%0.23SC*.SBendtrans-92-35-157.7-59.83.1000110.7G782G782-D784 VanDerWaalsContact C-N 3.3Å; G782-D784 PolarHBondContact O-N 3.44Å
785N67.2Low74.7Confident49 Ų4942.4 Ų42.426%0.26222%0.222SC..SBendtrans-100.222.7179.7-66.314.7000113.2L781 Q787 D788 L789L781-N785 HydrophobicContact CB-CB 4.38Å; L781-N785 HydrophobicContact CD1-CB 4.38Å; N785-Q787 PolarHBondContact O-N 3.46Å; N785-Q787 VanDerWaalsContact O-N 3.12Å; N785-D788 PolarHBondContact O-N 3.42Å; N785-L789 PolarHBondContact O-N 2.95Å
786V75.1Confident75Confident3 Ų343.3 Ų43.32%0.01823%0.228CC..Hα-helixtrans-57.8-27176.21750000112.3S783 D788 L789 L790 L823 Q825 L826S783-V786 WeakPolarHBondContact O-CG2 3.42Å; V786-D788 PolarHBondContact O-N 2.91Å; V786-L789 WeakPolarHBondContact O-CB 3.48Å; V786-L789 PolarHBondContact O-N 2.89Å; V786-L790 HydrophobicContact CG1-CD1 4.09Å; V786-L790 WeakPolarHBondContact O-CG 3.23Å; V786-L790 PolarHBondContact O-N 3.17Å; V786-L823 HydrophobicContact CG2-CD1 3.71Å; V786-Q825 HydrophobicContact CG1-CB 4.28Å; V786-L826 HydrophobicContact CG1-CD1 4.31Å; V786-L826 HydrophobicContact CG1-CD2 3.72Å; V786-L826 HydrophobicContact CG1-CG 3.91Å
787Q77.1Confident75.4Confident108 Ų10842.6 Ų42.651%0.50523%0.226SC..Hα-helixtrans-61.3-39.6172.4-69.9-60.7-35.500112.8N785 L789 L790 K791 Y871N785-Q787 PolarHBondContact O-N 3.46Å; N785-Q787 VanDerWaalsContact O-N 3.12Å; Q787-L789 VanDerWaalsContact C-N 3.31Å; Q787-L789 PolarHBondContact O-N 2.83Å; Q787-L790 PolarHBondContact O-N 3.49Å; Q787-K791 WeakPolarHBondContact O-CB 3.38Å; Q787-K791 PolarHBondContact O-N 3.19Å; Q787-Y871 PolarHBondContact NE2-OH 2.81Å; Q787-Y871 PolarHBondContact OE1-OH 3.17Å
788D78.4Confident75.6Confident45 Ų4540.8 Ų40.824%0.24122%0.218CC..Hα-helixtrans-70.8-30.2177.5-74.4-49.3000112.2L778 N785 V786 K791 H792L778-D788 HydrophobicContact CD2-CB 4.21Å; N785-D788 PolarHBondContact O-N 3.42Å; V786-D788 PolarHBondContact O-N 2.91Å; D788-K791 PolarHBondContact O-N 2.73Å; D788-K791 IonicContact OD1-NZ 3.43Å; D788-K791 PolarHBondContact OD1-NZ 3.08Å; D788-H792 WeakPolarHBondContact O-CB 3.39Å; D788-H792 PolarHBondContact O-CD2 2.97Å; D788-H792 PolarHBondContact O-N 2.95Å; D788-H792 IonicContact OD1-CD2 3.74Å; D788-H792 IonicContact OD1-NE2 2.92Å; D788-H792 PolarHBondContact OD1-NE2 3.03Å
789L80.5Confident76Confident0 Ų039.9 Ų39.90%021%0.213CC..Hα-helixtrans-69.4-41.8175-161.9164.4000111.4L778 L779 N785 V786 Q787 V793 I794 L820 L823 L826L778-L789 HydrophobicContact CB-CB 4.07Å; L778-L789 HydrophobicContact CB-CD1 4.08Å; L778-L789 HydrophobicContact CB-CG 4.04Å; L778-L789 HydrophobicContact CD1-CB 4.37Å; L779-L789 HydrophobicContact CB-CD1 4.45Å; L779-L789 HydrophobicContact CD1-CD1 4.42Å; N785-L789 PolarHBondContact O-N 2.95Å; V786-L789 WeakPolarHBondContact O-CB 3.48Å; V786-L789 PolarHBondContact O-N 2.89Å; Q787-L789 VanDerWaalsContact C-N 3.31Å; Q787-L789 PolarHBondContact O-N 2.83Å; L789-V793 WeakPolarHBondContact O-CB 3.45Å; L789-V793 PolarHBondContact O-N 3.48Å; L789-I794 HydrophobicContact CD2-CD1 3.58Å; L789-I794 HydrophobicContact CD2-CG1 3.93Å; L789-I794 PolarHBondContact O-N 3.42Å; L789-I794 VanDerWaalsContact O-N 3.1Å; L789-L820 HydrophobicContact CD1-CD2 4.18Å; L789-L820 HydrophobicContact CD2-CB 4.25Å; L789-L820 HydrophobicContact CD2-CD1 3.9Å; L789-L820 HydrophobicContact CD2-CD2 4.17Å; L789-L820 HydrophobicContact CD2-CG 4.3Å; L789-L820 HydrophobicContact CG-CD2 4.49Å; L789-L823 HydrophobicContact CD1-CD1 4.47Å; L789-L826 HydrophobicContact CD1-CD1 4.26Å; L789-L826 HydrophobicContact CD2-CD1 3.73Å
790L82.9Confident76.5Confident6 Ų639 Ų393%0.03121%0.209CC..Iπ-helixtrans-62.2-44.4169.3-71.7161.2000111.4V786 Q787 F795 L826 I832 Y871V786-L790 HydrophobicContact CG1-CD1 4.09Å; V786-L790 WeakPolarHBondContact O-CG 3.23Å; V786-L790 PolarHBondContact O-N 3.17Å; Q787-L790 PolarHBondContact O-N 3.49Å; L790-F795 HydrophobicContact CB-CD2 4.46Å; L790-F795 HydrophobicContact CD2-CD2 3.95Å; L790-F795 HydrophobicContact CD2-CE2 3.62Å; L790-F795 WeakPolarHBondContact O-CB 3.2Å; L790-F795 PolarHBondContact O-N 3.3Å; L790-L826 HydrophobicContact CD1-CD2 4.1Å; L790-L826 HydrophobicContact CD2-CD2 3.52Å; L790-L826 HydrophobicContact CG-CD2 3.72Å; L790-I832 HydrophobicContact CD2-CD1 4.27Å; L790-Y871 HydrophobicContact CB-CD1 4.09Å; L790-Y871 HydrophobicContact CB-CE1 3.91Å; L790-Y871 HydrophobicContact CD1-CE1 4.05Å; L790-Y871 HydrophobicContact CD1-CE2 4.09Å; L790-Y871 HydrophobicContact CD2-CD2 4.49Å; L790-Y871 HydrophobicContact CG-CE1 4.45Å
791K79.7Confident77.3Confident95 Ų9534.4 Ų34.441%0.41319%0.187SC..Iπ-helixtrans-72.1-51.4-172.7179.4177.6154.8-151.10114.2Q787 D788 Q875Q787-K791 WeakPolarHBondContact O-CB 3.38Å; Q787-K791 PolarHBondContact O-N 3.19Å; D788-K791 PolarHBondContact O-N 2.73Å; D788-K791 IonicContact OD1-NZ 3.43Å; D788-K791 PolarHBondContact OD1-NZ 3.08Å; K791-Q875 PolarHBondContact O-NE2 3.26Å; K791-Q875 VanDerWaalsContact O-NE2 3.08Å
792H79.4Confident77.7Confident58 Ų5830.5 Ų30.527%0.26917%0.167SC..Iπ-helixtrans-99.1-18.1-169.4-63.3-82.1000114.3D788 S796D788-H792 WeakPolarHBondContact O-CB 3.39Å; D788-H792 PolarHBondContact O-CD2 2.97Å; D788-H792 PolarHBondContact O-N 2.95Å; D788-H792 IonicContact OD1-CD2 3.74Å; D788-H792 IonicContact OD1-NE2 2.92Å; D788-H792 PolarHBondContact OD1-NE2 3.03Å; H792-S796 VanDerWaalsContact C-CB 3.48Å; H792-S796 WeakPolarHBondContact O-CB 3.31Å; H792-S796 PolarHBondContact O-OG 2.75Å
793V82.1Confident78.4Confident0 Ų029.4 Ų29.40%015%0.154CC..Iπ-helixtrans-110.7-68.7179.5170.80000111.8L774 P775 L778 L789 F799 F817 L820L774-V793 HydrophobicContact CD2-CG2 3.71Å; L774-V793 HydrophobicContact CG-CG2 3.79Å; P775-V793 HydrophobicContact CB-CG1 4.05Å; P775-V793 HydrophobicContact CB-CG2 4.37Å; P775-V793 HydrophobicContact CG-CG1 3.87Å; P775-V793 HydrophobicContact CG-CG2 4.07Å; L778-V793 HydrophobicContact CD1-CG2 3.92Å; L789-V793 WeakPolarHBondContact O-CB 3.45Å; L789-V793 PolarHBondContact O-N 3.48Å; V793-F799 HydrophobicContact CG1-CD1 4.11Å; V793-F799 HydrophobicContact CG1-CE1 3.72Å; V793-F799 HydrophobicContact CG1-CE2 4.24Å; V793-F799 HydrophobicContact CG1-CZ 3.79Å; V793-F799 HydrophobicContact CG2-CD2 4.23Å; V793-F799 HydrophobicContact CG2-CE2 4.04Å; V793-F799 HydrophobicContact CG2-CZ 4.4Å; V793-F799 VanDerWaalsContact O-CD1 3.3Å; V793-F799 WeakPolarHBondContact O-CD1 3.27Å; V793-F817 HydrophobicContact CG1-CE1 4.34Å; V793-L820 HydrophobicContact CG1-CD1 3.8Å
794I84.4Confident79.1Confident0 Ų026.4 Ų26.40%013%0.132CC..Iπ-helixtrans-72.3-42.6-165.2-59.8178.6000112L789 F817 L820 L826 I832 L835L789-I794 HydrophobicContact CD2-CD1 3.58Å; L789-I794 HydrophobicContact CD2-CG1 3.93Å; L789-I794 PolarHBondContact O-N 3.42Å; L789-I794 VanDerWaalsContact O-N 3.1Å; I794-F817 HydrophobicContact CB-CE1 4.47Å; I794-F817 HydrophobicContact CB-CZ 4.39Å; I794-F817 HydrophobicContact CG1-CD1 4.33Å; I794-F817 HydrophobicContact CG1-CE1 4.26Å; I794-F817 HydrophobicContact CG2-CD2 4.25Å; I794-F817 HydrophobicContact CG2-CE2 4.05Å; I794-F817 HydrophobicContact CG2-CZ 4.21Å; I794-F817 WeakPolarHBondContact O-CZ 3.14Å; I794-L820 HydrophobicContact CD1-CB 4.23Å; I794-L820 HydrophobicContact CD1-CD1 3.99Å; I794-L820 HydrophobicContact CG1-CD1 3.85Å; I794-L826 HydrophobicContact CD1-CD1 4.42Å; I794-L826 HydrophobicContact CD1-CD2 4.39Å; I794-I832 HydrophobicContact CD1-CD1 4Å; I794-I832 HydrophobicContact CG2-CG1 4.27Å; I794-I832 HydrophobicContact CG2-CG2 4.24Å; I794-L835 HydrophobicContact CG2-CD2 4.35Å; I794-L835 WeakPolarHBondContact O-CD2 3.21Å
795F87.1Confident79.5Confident0 Ų022 Ų220%011%0.109CC..THydrogen-bonded Turntrans-109.935.3-176.7-60.8-73.4000112.4L790 E831 I832 L835 Y871 I872 Q875 L876L790-F795 HydrophobicContact CB-CD2 4.46Å; L790-F795 HydrophobicContact CD2-CD2 3.95Å; L790-F795 HydrophobicContact CD2-CE2 3.62Å; L790-F795 WeakPolarHBondContact O-CB 3.2Å; L790-F795 PolarHBondContact O-N 3.3Å; F795-E831 HydrophobicContact CE1-CB 4.24Å; F795-E831 HydrophobicContact CZ-CB 3.73Å; F795-I832 HydrophobicContact CE2-CG1 3.91Å; F795-I832 HydrophobicContact CZ-CB 4.47Å; F795-I832 HydrophobicContact CZ-CG1 3.74Å; F795-L835 HydrophobicContact CD1-CD2 3.76Å; F795-L835 HydrophobicContact CE1-CB 4.24Å; F795-L835 HydrophobicContact CE1-CD2 3.62Å; F795-Y871 HydrophobicContact CD2-CD1 4.36Å; F795-Y871 AromaticContact CD2-CG 3.95Å; F795-Y871 HydrophobicContact CD2-CG 3.95Å; F795-Y871 HydrophobicContact CE2-CG 4.12Å; F795-I872 HydrophobicContact CD1-CG1 3.93Å; F795-I872 HydrophobicContact CE1-CD1 4.29Å; F795-I872 HydrophobicContact CE1-CG1 3.42Å; F795-I872 VanDerWaalsContact CE1-CG1 3.42Å; F795-I872 HydrophobicContact CZ-CG1 4.36Å; F795-Q875 VanDerWaalsContact CB-NE2 3.34Å; F795-Q875 PolarHBondContact O-NE2 3.24Å; F795-L876 HydrophobicContact CB-CB 4.1Å; F795-L876 HydrophobicContact CD1-CB 4.3Å; F795-L876 HydrophobicContact CD1-CD2 4.33Å; F795-L876 WeakPolarHBondContact O-CA 3.33Å
796S84Confident79.2Confident18 Ų1822 Ų2213%0.12611%0.108CC..  trans-111.6114.1178.61720000110.8H792 D798 F799 I800H792-S796 VanDerWaalsContact C-CB 3.48Å; H792-S796 WeakPolarHBondContact O-CB 3.31Å; H792-S796 PolarHBondContact O-OG 2.75Å; S796-D798 VanDerWaalsContact C-N 3.33Å; S796-D798 PolarHBondContact O-N 3.08Å; S796-F799 PolarHBondContact O-N 3.07Å; S796-F799 WeakPolarHBondContact OG-CB 3.47Å; S796-F799 PolarHBondContact OG-N 2.86Å; S796-I800 WeakPolarHBondContact O-CG1 3.31Å; S796-I800 PolarHBondContact O-N 2.93Å; S796-I800 VanDerWaalsContact O-N 3.13Å
797Y84.6Confident78.3Confident1 Ų124.4 Ų24.40%0.00413%0.134CC..Hα-helixtrans-58.2-45.1176.1169.1-108.2000112.2F799 I800 L801 L853 N854 S879 I880 S884Y797-F799 PolarHBondContact O-N 3.41Å; Y797-I800 PolarHBondContact O-N 3.47Å; Y797-L801 HydrophobicContact CE1-CD2 4.13Å; Y797-L801 HydrophobicContact CE2-CB 4.27Å; Y797-L801 HydrophobicContact CE2-CD2 4.14Å; Y797-L801 PolarHBondContact O-N 3.48Å; Y797-L801 VanDerWaalsContact OH-CD2 3.27Å; Y797-L801 WeakPolarHBondContact OH-CD2 2.96Å; Y797-L853 HydrophobicContact CD2-CD2 4.02Å; Y797-L853 HydrophobicContact CE2-CB 4.36Å; Y797-L853 HydrophobicContact CE2-CD2 4.04Å; Y797-L853 HydrophobicContact CE2-CG 4.39Å; Y797-N854 HydrophobicContact CE2-CB 3.75Å; Y797-S879 WeakPolarHBondContact CB-OG 3.29Å; Y797-S879 PolarHBondContact N-OG 3.44Å; Y797-I880 HydrophobicContact CD2-CG1 3.66Å; Y797-I880 HydrophobicContact CE2-CG1 4.45Å; Y797-I880 HydrophobicContact CG-CG1 3.91Å; Y797-S884 WeakPolarHBondContact OH-CB 3.37Å
798D77.1Confident77.3Confident31 Ų3119.9 Ų19.917%0.16611%0.113CC..Hα-helixtrans-64.8-29.3-178.6-81.90.3000112.2Y740 Y741 S796 G802Y740-D798 HydrophobicContact CD2-CB 4.2Å; Y741-D798 HydrophobicContact CE2-CB 4.21Å; Y741-D798 VanDerWaalsContact OH-CA 3.3Å; Y741-D798 WeakPolarHBondContact OH-CA 3.44Å; Y741-D798 PolarHBondContact OH-O 2.81Å; S796-D798 VanDerWaalsContact C-N 3.33Å; S796-D798 PolarHBondContact O-N 3.08Å; D798-G802 WeakPolarHBondContact O-CA 3.36Å; D798-G802 PolarHBondContact O-N 3.24Å; D798-G802 VanDerWaalsContact O-N 3.1Å
799F82.5Confident76.7Confident0 Ų019.4 Ų19.40%011%0.108CC..Hα-helixtrans-72.4-52.4172.9-175.4-89.5000111.8Y740 L771 L774 P775 V793 S796 Y797 G802 K803 F817Y740-F799 HydrophobicContact CE2-CB 4.4Å; L771-F799 HydrophobicContact CD2-CD2 3.66Å; L771-F799 HydrophobicContact CD2-CE2 3.84Å; L771-F799 HydrophobicContact CD2-CG 4.24Å; L771-F799 WeakPolarHBondContact O-CE2 3.49Å; L771-F799 VanDerWaalsContact O-CZ 3.22Å; L771-F799 WeakPolarHBondContact O-CZ 3.19Å; L774-F799 HydrophobicContact CD2-CD2 4.14Å; L774-F799 HydrophobicContact CD2-CE2 4.23Å; P775-F799 HydrophobicContact CG-CE1 4.47Å; P775-F799 HydrophobicContact CG-CE2 3.84Å; P775-F799 HydrophobicContact CG-CZ 3.43Å; P775-F799 VanDerWaalsContact CG-CZ 3.43Å; V793-F799 HydrophobicContact CG1-CD1 4.11Å; V793-F799 HydrophobicContact CG1-CE1 3.72Å; V793-F799 HydrophobicContact CG1-CE2 4.24Å; V793-F799 HydrophobicContact CG1-CZ 3.79Å; V793-F799 HydrophobicContact CG2-CD2 4.23Å; V793-F799 HydrophobicContact CG2-CE2 4.04Å; V793-F799 HydrophobicContact CG2-CZ 4.4Å; V793-F799 VanDerWaalsContact O-CD1 3.3Å; V793-F799 WeakPolarHBondContact O-CD1 3.27Å; S796-F799 PolarHBondContact O-N 3.07Å; S796-F799 WeakPolarHBondContact OG-CB 3.47Å; S796-F799 PolarHBondContact OG-N 2.86Å; Y797-F799 PolarHBondContact O-N 3.41Å; F799-G802 WeakPolarHBondContact O-CA 3.17Å; F799-G802 PolarHBondContact O-N 2.98Å; F799-G802 VanDerWaalsContact O-N 3.12Å; F799-K803 HydrophobicContact CD1-CG 4.4Å; F799-K803 HydrophobicContact CE1-CD 4.41Å; F799-K803 HydrophobicContact CE1-CG 3.99Å; F799-K803 HydrophobicContact CZ-CD 4.39Å; F799-K803 HydrophobicContact CZ-CG 4.39Å; F799-K803 PolarHBondContact O-N 2.99Å; F799-F817 HydrophobicContact CE1-CE1 4.28Å
800I84.6Confident76.3Confident0 Ų019.6 Ų19.60%011%0.109CC..Hα-helixtrans-63.7-48.9-175.5-61.2167000110.9S796 Y797 G802 K803 L804 F817 L835 L839 L853 L876S796-I800 WeakPolarHBondContact O-CG1 3.31Å; S796-I800 PolarHBondContact O-N 2.93Å; S796-I800 VanDerWaalsContact O-N 3.13Å; Y797-I800 PolarHBondContact O-N 3.47Å; I800-G802 VanDerWaalsContact C-N 3.26Å; I800-G802 PolarHBondContact O-N 3.48Å; I800-K803 WeakPolarHBondContact O-CB 3.5Å; I800-K803 PolarHBondContact O-N 3.1Å; I800-L804 HydrophobicContact CG2-CD1 4.27Å; I800-L804 WeakPolarHBondContact O-CG 3.38Å; I800-L804 PolarHBondContact O-N 3.4Å; I800-F817 HydrophobicContact CD1-CE2 4.38Å; I800-F817 HydrophobicContact CD1-CZ 4.2Å; I800-F817 HydrophobicContact CG1-CE2 4.48Å; I800-F817 HydrophobicContact CG1-CZ 3.91Å; I800-L835 HydrophobicContact CD1-CD2 4.26Å; I800-L839 HydrophobicContact CG2-CD2 4.12Å; I800-L853 HydrophobicContact CB-CD2 3.99Å; I800-L853 HydrophobicContact CG2-CD1 4.31Å; I800-L853 HydrophobicContact CG2-CD2 3.6Å; I800-L876 HydrophobicContact CD1-CD1 4.23Å
801L82.8Confident75.7Confident0 Ų019.7 Ų19.70%011%0.11CC..Hα-helixtrans-68.3-29.4175.7169.168.1000111.2Y741 Y797 K803 L804 L805 P850 L853 V887Y741-L801 HydrophobicContact CE1-CB 4.46Å; Y741-L801 HydrophobicContact CE1-CD2 4.31Å; Y741-L801 HydrophobicContact CE1-CG 3.89Å; Y741-L801 WeakPolarHBondContact OH-CB 3.2Å; Y741-L801 WeakPolarHBondContact OH-CD2 3.5Å; Y741-L801 VanDerWaalsContact OH-CG 3.26Å; Y741-L801 WeakPolarHBondContact OH-CG 3.23Å; Y797-L801 HydrophobicContact CE1-CD2 4.13Å; Y797-L801 HydrophobicContact CE2-CB 4.27Å; Y797-L801 HydrophobicContact CE2-CD2 4.14Å; Y797-L801 PolarHBondContact O-N 3.48Å; Y797-L801 VanDerWaalsContact OH-CD2 3.27Å; Y797-L801 WeakPolarHBondContact OH-CD2 2.96Å; L801-K803 VanDerWaalsContact C-N 3.34Å; L801-K803 PolarHBondContact O-N 3.2Å; L801-L804 PolarHBondContact O-N 2.76Å; L801-L805 HydrophobicContact CD1-CD1 3.65Å; L801-L805 HydrophobicContact CD1-CG 3.79Å; L801-L805 HydrophobicContact CD2-CD1 4.29Å; L801-L805 HydrophobicContact CG-CD1 3.79Å; L801-L805 HydrophobicContact CG-CG 4.36Å; L801-L805 WeakPolarHBondContact O-CB 3.21Å; L801-L805 PolarHBondContact O-N 2.84Å; L801-P850 HydrophobicContact CD1-CB 3.91Å; L801-P850 VanDerWaalsContact CD1-O 3.22Å; L801-P850 WeakPolarHBondContact CD1-O 3.39Å; L801-L853 HydrophobicContact CB-CD2 3.67Å; L801-L853 HydrophobicContact CD1-CB 4.41Å; L801-V887 HydrophobicContact CD2-CB 4.29Å; L801-V887 HydrophobicContact CD2-CG1 3.81Å; L801-V887 HydrophobicContact CD2-CG2 3.76Å
802G75.9Confident75.2Confident0 Ų016 Ų160%09%0.094CC..Hα-helixtrans-56.1-46.8171.100000112.1Y741 L771 D798 F799 I800Y741-G802 VanDerWaalsContact CE1-CA 3.44Å; Y741-G802 PolarHBondContact OH-N 3.34Å; L771-G802 VanDerWaalsContact CD1-C 3.45Å; L771-G802 WeakPolarHBondContact CD1-O 3.03Å; D798-G802 WeakPolarHBondContact O-CA 3.36Å; D798-G802 PolarHBondContact O-N 3.24Å; D798-G802 VanDerWaalsContact O-N 3.1Å; F799-G802 WeakPolarHBondContact O-CA 3.17Å; F799-G802 PolarHBondContact O-N 2.98Å; F799-G802 VanDerWaalsContact O-N 3.12Å; I800-G802 VanDerWaalsContact C-N 3.26Å; I800-G802 PolarHBondContact O-N 3.48Å
803K77.1Confident75.2Confident4 Ų413.2 Ų13.22%0.0178%0.082CC..Hα-helixtrans-60.3-51.6173.7-65.6-77.9-172.1166.80112.3L771 F799 I800 L801 L805 L806 L808 V813 E816L771-K803 HydrophobicContact CB-CD 4.28Å; L771-K803 WeakPolarHBondContact O-CE 3.47Å; L771-K803 PolarHBondContact O-NZ 2.98Å; F799-K803 HydrophobicContact CD1-CG 4.4Å; F799-K803 HydrophobicContact CE1-CD 4.41Å; F799-K803 HydrophobicContact CE1-CG 3.99Å; F799-K803 HydrophobicContact CZ-CD 4.39Å; F799-K803 HydrophobicContact CZ-CG 4.39Å; F799-K803 PolarHBondContact O-N 2.99Å; I800-K803 WeakPolarHBondContact O-CB 3.5Å; I800-K803 PolarHBondContact O-N 3.1Å; L801-K803 VanDerWaalsContact C-N 3.34Å; L801-K803 PolarHBondContact O-N 3.2Å; K803-L805 VanDerWaalsContact C-N 3.27Å; K803-L805 PolarHBondContact O-N 2.66Å; K803-L806 WeakPolarHBondContact O-CB 3.41Å; K803-L806 PolarHBondContact O-N 3.37Å; K803-L806 VanDerWaalsContact O-N 3.08Å; K803-L808 HydrophobicContact CD-CD1 3.82Å; K803-V813 HydrophobicContact CB-CG2 3.42Å; K803-V813 VanDerWaalsContact CB-CG2 3.42Å; K803-V813 HydrophobicContact CG-CG2 3.88Å; K803-E816 WeakPolarHBondContact CE-OE2 3.35Å; K803-E816 IonicContact NZ-OE1 3.69Å; K803-E816 PolarHBondContact NZ-OE1 3.02Å; K803-E816 IonicContact NZ-OE2 2.65Å; K803-E816 PolarHBondContact NZ-OE2 3.06Å
804L76.9Confident75Confident7 Ų713.4 Ų13.44%0.0378%0.082CC..Hα-helixtrans-63-32.8-175.4-64.7169.6000112.9I800 L801 L806 G807 P810 L846 P850 L853I800-L804 HydrophobicContact CG2-CD1 4.27Å; I800-L804 WeakPolarHBondContact O-CG 3.38Å; I800-L804 PolarHBondContact O-N 3.4Å; L801-L804 PolarHBondContact O-N 2.76Å; L804-L806 VanDerWaalsContact C-N 3.3Å; L804-L806 PolarHBondContact O-N 3.33Å; L804-G807 PolarHBondContact O-N 2.75Å; L804-P810 HydrophobicContact CD2-CB 3.89Å; L804-P810 HydrophobicContact CD2-CG 3.64Å; L804-L846 HydrophobicContact CD1-CB 4.39Å; L804-L846 HydrophobicContact CD1-CD1 3.95Å; L804-L846 HydrophobicContact CD1-CD2 4.31Å; L804-L846 HydrophobicContact CD1-CG 4.45Å; L804-L846 HydrophobicContact CD2-CB 4.34Å; L804-P850 HydrophobicContact CB-CB 3.88Å; L804-P850 HydrophobicContact CB-CG 4.31Å; L804-P850 WeakPolarHBondContact O-CG 3.48Å; L804-L853 HydrophobicContact CD1-CB 4.41Å; L804-L853 HydrophobicContact CD1-CD1 3.73Å; L804-L853 HydrophobicContact CD1-CD2 4.06Å; L804-L853 HydrophobicContact CD1-CG 4.27Å
805L70.8Confident74.5Confident37 Ų3713.9 Ų13.919%0.1949%0.086CC..THydrogen-bonded Turntrans-79.1-5.1177.3-79.6169.9000114.6Y741 Y764 C766 L801 K803 G807 P850Y741-L805 HydrophobicContact CD1-CD1 3.87Å; Y741-L805 HydrophobicContact CE1-CD1 3.71Å; Y764-L805 HydrophobicContact CD1-CD1 4.06Å; Y764-L805 HydrophobicContact CD2-CD1 3.51Å; Y764-L805 HydrophobicContact CD2-CD2 3.71Å; Y764-L805 HydrophobicContact CD2-CG 4.27Å; Y764-L805 HydrophobicContact CE2-CD1 4.04Å; Y764-L805 HydrophobicContact CE2-CD2 4.37Å; Y764-L805 HydrophobicContact CG-CD1 3.54Å; Y764-L805 HydrophobicContact CG-CD2 4.35Å; C766-L805 VanDerWaalsContact SG-CB 3.57Å; L801-L805 HydrophobicContact CD1-CD1 3.65Å; L801-L805 HydrophobicContact CD1-CG 3.79Å; L801-L805 HydrophobicContact CD2-CD1 4.29Å; L801-L805 HydrophobicContact CG-CD1 3.79Å; L801-L805 HydrophobicContact CG-CG 4.36Å; L801-L805 WeakPolarHBondContact O-CB 3.21Å; L801-L805 PolarHBondContact O-N 2.84Å; K803-L805 VanDerWaalsContact C-N 3.27Å; K803-L805 PolarHBondContact O-N 2.66Å; L805-G807 VanDerWaalsContact C-N 3.26Å; L805-P850 HydrophobicContact CD2-CB 3.76Å; L805-P850 HydrophobicContact CD2-CG 4.13Å; L805-P850 HydrophobicContact CG-CB 3.85Å
806L60.9Low73.9Confident48 Ų4814 Ų1425%0.2519%0.086SC..THydrogen-bonded Turntrans-76.2-12.8168.6-72165000113.4C766 A768 L771 K803 L804 L808C766-L806 HydrophobicContact CB-CD2 3.46Å; C766-L806 VanDerWaalsContact CB-CD2 3.46Å; C766-L806 HydrophobicContact CB-CG 3.7Å; C766-L806 WeakPolarHBondContact O-CD2 3.48Å; A768-L806 VanDerWaalsContact CA-CD2 3.47Å; A768-L806 HydrophobicContact CB-CD1 4.27Å; A768-L806 HydrophobicContact CB-CD2 3.67Å; L771-L806 HydrophobicContact CB-CD1 4.31Å; L771-L806 HydrophobicContact CD1-CD1 3.72Å; L771-L806 HydrophobicContact CD1-CG 4.24Å; K803-L806 WeakPolarHBondContact O-CB 3.41Å; K803-L806 PolarHBondContact O-N 3.37Å; K803-L806 VanDerWaalsContact O-N 3.08Å; L804-L806 VanDerWaalsContact C-N 3.3Å; L804-L806 PolarHBondContact O-N 3.33Å; L806-L808 HydrophobicContact CB-CB 4.48Å; L806-L808 HydrophobicContact CB-CD1 4.33Å; L806-L808 HydrophobicContact CB-CG 3.95Å; L806-L808 HydrophobicContact CD1-CD1 3.64Å; L806-L808 HydrophobicContact CD1-CG 4.17Å
807G55.2Low73.8Confident54 Ų5413.1 Ų13.156%0.5578%0.08SC*.THydrogen-bonded Turntrans80.43.4-162.700000113.6L804 L805L804-G807 PolarHBondContact O-N 2.75Å; L805-G807 VanDerWaalsContact C-N 3.26Å
808L57.3Low73.4Confident14 Ų1416.1 Ų16.17%0.0739%0.092CC..  trans-60.3139.3162.5-65.2176.5000108.8F390 L391 K803 L806 D812F390-L808 HydrophobicContact CD2-CD2 4.4Å; F390-L808 HydrophobicContact CE2-CD2 4.42Å; L391-L808 HydrophobicContact CD2-CD2 3.58Å; L391-L808 HydrophobicContact CG-CD2 4.38Å; K803-L808 HydrophobicContact CD-CD1 3.82Å; L806-L808 HydrophobicContact CB-CB 4.48Å; L806-L808 HydrophobicContact CB-CD1 4.33Å; L806-L808 HydrophobicContact CB-CG 3.95Å; L806-L808 HydrophobicContact CD1-CD1 3.64Å; L806-L808 HydrophobicContact CD1-CG 4.17Å; L808-D812 HydrophobicContact CB-CB 4.3Å
809R64.8Low73Confident35 Ų3516 Ų1613%0.1329%0.089CC..  trans-71.3150.9179.6-60176.9-171.8-131.4-0.9108.5I400 E404 I417 L420 N811 D812I400-R809 VanDerWaalsContact CG2-CZ 3.42Å; E404-R809 IonicContact OE1-NH2 3.47Å; E404-R809 PolarHBondContact OE1-NH2 3.42Å; E404-R809 IonicContact OE2-NH2 3.8Å; E404-R809 PolarHBondContact OE2-NH2 2.66Å; E404-R809 VanDerWaalsContact OE2-NH2 3.08Å; I417-R809 PolarHBondContact O-NH1 2.98Å; L420-R809 PolarHBondContact O-NH1 3.21Å; R809-N811 PolarHBondContact O-N 3.46Å; R809-D812 PolarHBondContact N-OD2 3.42Å; R809-D812 WeakPolarHBondContact O-CB 3.41Å; R809-D812 PolarHBondContact O-N 3.33Å
810P73Confident72.8Confident4 Ų416 Ų163%0.0269%0.089CC..Hα-helixtrans-53.6-25.4175.4-27.635.4000113.8L804 V813 I814 L846L804-P810 HydrophobicContact CD2-CB 3.89Å; L804-P810 HydrophobicContact CD2-CG 3.64Å; P810-V813 WeakPolarHBondContact O-CB 3.22Å; P810-V813 PolarHBondContact O-N 3.42Å; P810-I814 WeakPolarHBondContact O-CD1 3.47Å; P810-I814 WeakPolarHBondContact O-CG1 3.48Å; P810-I814 PolarHBondContact O-N 3.19Å; P810-L846 HydrophobicContact CG-CB 3.9Å
811N69.4Low72.2Confident8 Ų817.9 Ų17.94%0.04310%0.096CC..Hα-helixtrans-78.9-17.5178.9-64-79.5000114.6C421 R809 V813 I814 T815C421-N811 WeakPolarHBondContact CA-ND2 3.28Å; C421-N811 WeakPolarHBondContact CB-ND2 3.43Å; C421-N811 PolarHBondContact O-ND2 3.28Å; C421-N811 PolarHBondContact O-OD1 2.85Å; R809-N811 PolarHBondContact O-N 3.46Å; N811-V813 VanDerWaalsContact C-N 3.32Å; N811-I814 PolarHBondContact O-N 3.48Å; N811-I814 VanDerWaalsContact OD1-CD1 3.29Å; N811-I814 WeakPolarHBondContact OD1-CD1 3.36Å; N811-T815 WeakPolarHBondContact O-CB 3.19Å; N811-T815 WeakPolarHBondContact O-CG2 3.39Å; N811-T815 PolarHBondContact O-N 3.14Å; N811-T815 PolarHBondContact O-OG1 3.38Å
812D70Confident71.5Confident16 Ų1622 Ų229%0.08612%0.116CC..Hα-helixtrans-70-35.3171.1-53.3-32.3000109.9L808 R809 T815 E816L808-D812 HydrophobicContact CB-CB 4.3Å; R809-D812 PolarHBondContact N-OD2 3.42Å; R809-D812 WeakPolarHBondContact O-CB 3.41Å; R809-D812 PolarHBondContact O-N 3.33Å; D812-T815 PolarHBondContact O-OG1 3.36Å; D812-E816 WeakPolarHBondContact O-CB 3.35Å; D812-E816 PolarHBondContact O-N 2.77Å; D812-E816 VanDerWaalsContact O-N 3.09Å
813V78.4Confident71.3Confident1 Ų123.9 Ų23.91%0.00613%0.126CC..Hα-helixtrans-68.4-45.2171.6-168.80000111.3K803 P810 N811 E816 F817 L839K803-V813 HydrophobicContact CB-CG2 3.42Å; K803-V813 VanDerWaalsContact CB-CG2 3.42Å; K803-V813 HydrophobicContact CG-CG2 3.88Å; P810-V813 WeakPolarHBondContact O-CB 3.22Å; P810-V813 PolarHBondContact O-N 3.42Å; N811-V813 VanDerWaalsContact C-N 3.32Å; V813-E816 PolarHBondContact O-N 3.11Å; V813-F817 HydrophobicContact CG1-CD1 4.34Å; V813-F817 HydrophobicContact CG1-CE1 3.97Å; V813-F817 HydrophobicContact CG1-CE2 4.23Å; V813-F817 HydrophobicContact CG1-CZ 3.92Å; V813-F817 WeakPolarHBondContact O-CB 3.26Å; V813-F817 WeakPolarHBondContact O-CG 3.45Å; V813-F817 PolarHBondContact O-N 2.66Å; V813-L839 HydrophobicContact CG1-CD1 4.43Å
814I78.5Confident71.1Confident3 Ų330 Ų302%0.01516%0.159CC..Hα-helixtrans-60.4-47.6178.7-69.9157.9000110.5P810 N811 F817 Y818 L836 L839 R840P810-I814 WeakPolarHBondContact O-CD1 3.47Å; P810-I814 WeakPolarHBondContact O-CG1 3.48Å; P810-I814 PolarHBondContact O-N 3.19Å; N811-I814 PolarHBondContact O-N 3.48Å; N811-I814 VanDerWaalsContact OD1-CD1 3.29Å; N811-I814 WeakPolarHBondContact OD1-CD1 3.36Å; I814-F817 PolarHBondContact O-N 2.61Å; I814-Y818 HydrophobicContact CG2-CD2 4.12Å; I814-Y818 HydrophobicContact CG2-CE2 4Å; I814-Y818 VanDerWaalsContact O-CD2 3.27Å; I814-Y818 WeakPolarHBondContact O-CD2 3.38Å; I814-Y818 PolarHBondContact O-N 2.98Å; I814-L836 HydrophobicContact CB-CD2 4.15Å; I814-L836 HydrophobicContact CG1-CD2 4.43Å; I814-L836 HydrophobicContact CG2-CD2 3.76Å; I814-L836 WeakPolarHBondContact O-CD2 3.39Å; I814-L839 HydrophobicContact CD1-CB 3.87Å; I814-L839 HydrophobicContact CG1-CB 3.79Å; I814-R840 HydrophobicContact CD1-CB 4.39Å; I814-R840 HydrophobicContact CD1-CG 3.72Å; I814-R840 HydrophobicContact CG2-CG 4.4Å
815T72.6Confident70.9Confident11 Ų1134.6 Ų34.67%0.06718%0.18CC..Hα-helixtrans-67.5-37.2179.551.70000112.2S394 Q396 Y454 N811 D812 F817 Y818 Y819S394-T815 WeakPolarHBondContact CB-OG1 3.48Å; Q396-T815 HydrophobicContact CB-CG2 4.16Å; Y454-T815 VanDerWaalsContact CD2-O 3.25Å; Y454-T815 WeakPolarHBondContact CD2-O 3.41Å; Y454-T815 WeakPolarHBondContact CE2-O 3.25Å; N811-T815 WeakPolarHBondContact O-CB 3.19Å; N811-T815 WeakPolarHBondContact O-CG2 3.39Å; N811-T815 PolarHBondContact O-N 3.14Å; N811-T815 PolarHBondContact O-OG1 3.38Å; D812-T815 PolarHBondContact O-OG1 3.36Å; T815-F817 VanDerWaalsContact C-N 3.34Å; T815-Y818 WeakPolarHBondContact O-CB 3.29Å; T815-Y818 PolarHBondContact O-N 3.33Å; T815-Y818 VanDerWaalsContact O-N 3.12Å; T815-Y819 PolarHBondContact O-N 3.15Å
816E76.4Confident71.2Confident2 Ų232.8 Ų32.81%0.00917%0.17CC..Hα-helixtrans-63.8-39.1172.8-171.1178.6-122.300111.5Y454 K803 D812 V813 Y818 Y819 L820Y454-E816 HydrophobicContact CE2-CB 4.34Å; K803-E816 WeakPolarHBondContact CE-OE2 3.35Å; K803-E816 IonicContact NZ-OE1 3.69Å; K803-E816 PolarHBondContact NZ-OE1 3.02Å; K803-E816 IonicContact NZ-OE2 2.65Å; K803-E816 PolarHBondContact NZ-OE2 3.06Å; D812-E816 WeakPolarHBondContact O-CB 3.35Å; D812-E816 PolarHBondContact O-N 2.77Å; D812-E816 VanDerWaalsContact O-N 3.09Å; V813-E816 PolarHBondContact O-N 3.11Å; E816-Y818 VanDerWaalsContact C-N 3.29Å; E816-Y818 PolarHBondContact O-N 2.75Å; E816-Y819 WeakPolarHBondContact O-CB 3.37Å; E816-Y819 PolarHBondContact O-N 3.45Å; E816-Y819 VanDerWaalsContact O-N 3.13Å; E816-L820 WeakPolarHBondContact O-CG 3.5Å; E816-L820 PolarHBondContact O-N 2.77Å; E816-L820 VanDerWaalsContact O-N 3.07Å
817F81.3Confident71.9Confident0 Ų036.8 Ų36.80%018%0.182CC..Hα-helixtrans-66-28.3172.3-75.99.4000112.8V793 I794 F799 I800 V813 I814 T815 L820 R821 L835 L836 L839V793-F817 HydrophobicContact CG1-CE1 4.34Å; I794-F817 HydrophobicContact CB-CE1 4.47Å; I794-F817 HydrophobicContact CB-CZ 4.39Å; I794-F817 HydrophobicContact CG1-CD1 4.33Å; I794-F817 HydrophobicContact CG1-CE1 4.26Å; I794-F817 HydrophobicContact CG2-CD2 4.25Å; I794-F817 HydrophobicContact CG2-CE2 4.05Å; I794-F817 HydrophobicContact CG2-CZ 4.21Å; I794-F817 WeakPolarHBondContact O-CZ 3.14Å; F799-F817 HydrophobicContact CE1-CE1 4.28Å; I800-F817 HydrophobicContact CD1-CE2 4.38Å; I800-F817 HydrophobicContact CD1-CZ 4.2Å; I800-F817 HydrophobicContact CG1-CE2 4.48Å; I800-F817 HydrophobicContact CG1-CZ 3.91Å; V813-F817 HydrophobicContact CG1-CD1 4.34Å; V813-F817 HydrophobicContact CG1-CE1 3.97Å; V813-F817 HydrophobicContact CG1-CE2 4.23Å; V813-F817 HydrophobicContact CG1-CZ 3.92Å; V813-F817 WeakPolarHBondContact O-CB 3.26Å; V813-F817 WeakPolarHBondContact O-CG 3.45Å; V813-F817 PolarHBondContact O-N 2.66Å; I814-F817 PolarHBondContact O-N 2.61Å; T815-F817 VanDerWaalsContact C-N 3.34Å; F817-L820 HydrophobicContact CD1-CD1 4.29Å; F817-R821 WeakPolarHBondContact O-CG 3.35Å; F817-L835 HydrophobicContact CE2-CD2 3.81Å; F817-L835 HydrophobicContact CE2-CG 4.34Å; F817-L836 HydrophobicContact CB-CD2 3.65Å; F817-L836 HydrophobicContact CB-CG 4.34Å; F817-L836 HydrophobicContact CD2-CD2 4.37Å; F817-L839 HydrophobicContact CD2-CD1 4.33Å; F817-L839 HydrophobicContact CE2-CD1 4.01Å
818Y75.8Confident72.8Confident64 Ų6439.5 Ų39.525%0.25119%0.188SC..Hα-helixtrans-70.3-37.7168.4-87.5-80.2000112.8I814 T815 E816 R821 L836 R840I814-Y818 HydrophobicContact CG2-CD2 4.12Å; I814-Y818 HydrophobicContact CG2-CE2 4Å; I814-Y818 VanDerWaalsContact O-CD2 3.27Å; I814-Y818 WeakPolarHBondContact O-CD2 3.38Å; I814-Y818 PolarHBondContact O-N 2.98Å; T815-Y818 WeakPolarHBondContact O-CB 3.29Å; T815-Y818 PolarHBondContact O-N 3.33Å; T815-Y818 VanDerWaalsContact O-N 3.12Å; E816-Y818 VanDerWaalsContact C-N 3.29Å; E816-Y818 PolarHBondContact O-N 2.75Å; Y818-R821 PolarHBondContact O-N 3.48Å; Y818-L836 HydrophobicContact CD2-CD1 4.24Å; Y818-L836 HydrophobicContact CD2-CD2 3.91Å; Y818-L836 HydrophobicContact CE1-CD1 4.44Å; Y818-L836 HydrophobicContact CE2-CD1 3.93Å; Y818-L836 HydrophobicContact CE2-CD2 3.85Å; Y818-L836 HydrophobicContact CE2-CG 4.42Å; Y818-R840 PolarHBondContact OH-NH1 2.6Å; Y818-R840 PolarHBondContact OH-NH2 2.95Å
819Y69.8Low73.9Confident29 Ų2940 Ų4011%0.11419%0.19CC..Hα-helixtrans-60.5-45.6175.1174.4-123.3000112.1Y454 L779 T815 E816 R821 Q822Y454-Y819 HydrophobicContact CD1-CD1 4.1Å; Y454-Y819 AromaticContact CD1-CD2 3.93Å; Y454-Y819 HydrophobicContact CD1-CD2 3.93Å; Y454-Y819 AromaticContact CD1-CG 3.7Å; Y454-Y819 HydrophobicContact CD1-CG 3.7Å; Y454-Y819 HydrophobicContact CD2-CG 4.49Å; Y454-Y819 HydrophobicContact CE1-CD1 4.34Å; Y454-Y819 HydrophobicContact CE1-CG 4.32Å; Y454-Y819 AromaticContact CG-CD2 3.98Å; Y454-Y819 HydrophobicContact CG-CD2 3.98Å; Y454-Y819 AromaticContact CG-CG 3.8Å; Y454-Y819 HydrophobicContact CG-CG 3.8Å; L779-Y819 HydrophobicContact CD2-CD1 4.49Å; L779-Y819 HydrophobicContact CD2-CE1 3.66Å; L779-Y819 HydrophobicContact CD2-CE2 4.28Å; L779-Y819 WeakPolarHBondContact CD2-OH 3.44Å; T815-Y819 PolarHBondContact O-N 3.15Å; E816-Y819 WeakPolarHBondContact O-CB 3.37Å; E816-Y819 PolarHBondContact O-N 3.45Å; E816-Y819 VanDerWaalsContact O-N 3.13Å; Y819-R821 PolarHBondContact O-N 3.4Å; Y819-R821 VanDerWaalsContact O-N 3.15Å; Y819-Q822 WeakPolarHBondContact O-CB 3.24Å; Y819-Q822 VanDerWaalsContact O-CG 3.25Å; Y819-Q822 WeakPolarHBondContact O-CG 3.37Å; Y819-Q822 PolarHBondContact O-N 3.3Å
820L76.4Confident74.6Confident0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-61.7-26.1179.2-61.4170.8000112.6P775 L779 L789 V793 I794 E816 F817 Q822 L823 L826P775-L820 HydrophobicContact CB-CD1 4.21Å; P775-L820 HydrophobicContact CB-CD2 3.94Å; L779-L820 HydrophobicContact CD1-CD2 4.23Å; L789-L820 HydrophobicContact CD1-CD2 4.18Å; L789-L820 HydrophobicContact CD2-CB 4.25Å; L789-L820 HydrophobicContact CD2-CD1 3.9Å; L789-L820 HydrophobicContact CD2-CD2 4.17Å; L789-L820 HydrophobicContact CD2-CG 4.3Å; L789-L820 HydrophobicContact CG-CD2 4.49Å; V793-L820 HydrophobicContact CG1-CD1 3.8Å; I794-L820 HydrophobicContact CD1-CB 4.23Å; I794-L820 HydrophobicContact CD1-CD1 3.99Å; I794-L820 HydrophobicContact CG1-CD1 3.85Å; E816-L820 WeakPolarHBondContact O-CG 3.5Å; E816-L820 PolarHBondContact O-N 2.77Å; E816-L820 VanDerWaalsContact O-N 3.07Å; F817-L820 HydrophobicContact CD1-CD1 4.29Å; L820-Q822 PolarHBondContact O-N 2.83Å; L820-Q822 VanDerWaalsContact O-N 3.14Å; L820-L823 PolarHBondContact O-N 3.11Å; L820-L826 HydrophobicContact CB-CD1 4.3Å; L820-L826 VanDerWaalsContact O-CD1 3.27Å; L820-L826 WeakPolarHBondContact O-CD1 3.4Å
821R73.7Confident75.2Confident39 Ų3944.2 Ų44.215%0.14722%0.215CC..THydrogen-bonded Turntrans-73.87.6174.8-66.3-179.670.3-1323.7114.7F817 Y818 Y819 L823 L826 R827 I832 M833F817-R821 WeakPolarHBondContact O-CG 3.35Å; Y818-R821 PolarHBondContact O-N 3.48Å; Y819-R821 PolarHBondContact O-N 3.4Å; Y819-R821 VanDerWaalsContact O-N 3.15Å; R821-L823 VanDerWaalsContact C-N 3.25Å; R821-L826 HydrophobicContact CG-CB 4.32Å; R821-L826 PolarHBondContact NE-O 3.19Å; R821-R827 PolarHBondContact NH2-O 3.4Å; R821-R827 WeakPolarHBondContact O-CB 3.35Å; R821-I832 HydrophobicContact CG-CD1 4.38Å; R821-I832 HydrophobicContact CG-CG2 4.25Å; R821-M833 VanDerWaalsContact CZ-SD 3.51Å; R821-M833 PolarHBondContact NH1-SD 2.86Å
822Q68.1Low76Confident86 Ų8643.8 Ų43.840%0.40221%0.213SC..THydrogen-bonded Turntrans-61.2-33.2161.2-75.3-179.80.600112.1D456 Y819 L820 N824D456-Q822 VanDerWaalsContact CG-NE2 3.26Å; D456-Q822 PolarHBondContact OD1-NE2 3.06Å; D456-Q822 PolarHBondContact OD2-NE2 3.05Å; D456-Q822 VanDerWaalsContact OD2-NE2 3.14Å; Y819-Q822 WeakPolarHBondContact O-CB 3.24Å; Y819-Q822 VanDerWaalsContact O-CG 3.25Å; Y819-Q822 WeakPolarHBondContact O-CG 3.37Å; Y819-Q822 PolarHBondContact O-N 3.3Å; L820-Q822 PolarHBondContact O-N 2.83Å; L820-Q822 VanDerWaalsContact O-N 3.14Å; Q822-N824 PolarHBondContact O-N 2.89Å
823L71.8Confident76.6Confident40 Ų4046.3 Ų46.321%0.20923%0.225CC..SBendtrans-71.1127.7174-61.9-174.9000110.2L779 V786 L789 L820 R821 Q825 L826 R827L779-L823 HydrophobicContact CD1-CD1 3.82Å; L779-L823 HydrophobicContact CD1-CD2 4.16Å; L779-L823 HydrophobicContact CD1-CG 3.67Å; V786-L823 HydrophobicContact CG2-CD1 3.71Å; L789-L823 HydrophobicContact CD1-CD1 4.47Å; L820-L823 PolarHBondContact O-N 3.11Å; R821-L823 VanDerWaalsContact C-N 3.25Å; L823-Q825 VanDerWaalsContact C-N 3.26Å; L823-Q825 PolarHBondContact O-N 3.12Å; L823-Q825 VanDerWaalsContact O-N 3.16Å; L823-L826 HydrophobicContact CB-CB 4.42Å; L823-L826 HydrophobicContact CB-CD1 4.17Å; L823-L826 HydrophobicContact CB-CG 4.27Å; L823-L826 HydrophobicContact CD1-CD1 4.11Å; L823-L826 HydrophobicContact CG-CD1 4.49Å; L823-L826 WeakPolarHBondContact O-CA 3.42Å; L823-L826 PolarHBondContact O-N 3.49Å; L823-R827 PolarHBondContact O-N 2.91Å
824N72.5Confident76.8Confident133 Ų13349.2 Ų49.271%0.71124%0.236SC*.Hα-helixtrans-52.5-41.7-176.9-73.4-30.4000113.1Q822 L826 R827 T828Q822-N824 PolarHBondContact O-N 2.89Å; N824-L826 PolarHBondContact O-N 2.74Å; N824-R827 PolarHBondContact O-N 3.11Å; N824-T828 PolarHBondContact O-N 3Å; N824-T828 PolarHBondContact O-OG1 3.36Å
825Q72.6Confident77.2Confident102 Ų10249 Ų4948%0.47724%0.235SC..Hα-helixtrans-60.8-30.8177.5-59.4179.618.900113.3S783 V786 L823 T828S783-Q825 PolarHBondContact O-NE2 3.05Å; S783-Q825 VanDerWaalsContact O-NE2 3.13Å; V786-Q825 HydrophobicContact CG1-CB 4.28Å; L823-Q825 VanDerWaalsContact C-N 3.26Å; L823-Q825 PolarHBondContact O-N 3.12Å; L823-Q825 VanDerWaalsContact O-N 3.16Å; Q825-T828 PolarHBondContact O-OG1 2.91Å
826L77.7Confident77.7Confident0 Ų048.5 Ų48.50%023%0.232CC..Hα-helixtrans-89.6-29.6177.8-61.4176.9000111.5V786 L789 L790 I794 L820 R821 L823 N824 T828 N829 I832V786-L826 HydrophobicContact CG1-CD1 4.31Å; V786-L826 HydrophobicContact CG1-CD2 3.72Å; V786-L826 HydrophobicContact CG1-CG 3.91Å; L789-L826 HydrophobicContact CD1-CD1 4.26Å; L789-L826 HydrophobicContact CD2-CD1 3.73Å; L790-L826 HydrophobicContact CD1-CD2 4.1Å; L790-L826 HydrophobicContact CD2-CD2 3.52Å; L790-L826 HydrophobicContact CG-CD2 3.72Å; I794-L826 HydrophobicContact CD1-CD1 4.42Å; I794-L826 HydrophobicContact CD1-CD2 4.39Å; L820-L826 HydrophobicContact CB-CD1 4.3Å; L820-L826 VanDerWaalsContact O-CD1 3.27Å; L820-L826 WeakPolarHBondContact O-CD1 3.4Å; R821-L826 HydrophobicContact CG-CB 4.32Å; R821-L826 PolarHBondContact NE-O 3.19Å; L823-L826 HydrophobicContact CB-CB 4.42Å; L823-L826 HydrophobicContact CB-CD1 4.17Å; L823-L826 HydrophobicContact CB-CG 4.27Å; L823-L826 HydrophobicContact CD1-CD1 4.11Å; L823-L826 HydrophobicContact CG-CD1 4.49Å; L823-L826 WeakPolarHBondContact O-CA 3.42Å; L823-L826 PolarHBondContact O-N 3.49Å; N824-L826 PolarHBondContact O-N 2.74Å; L826-T828 VanDerWaalsContact C-N 3.3Å; L826-T828 PolarHBondContact O-N 3.04Å; L826-N829 PolarHBondContact O-N 3.41Å; L826-I832 HydrophobicContact CB-CD1 4.04Å; L826-I832 HydrophobicContact CD2-CD1 3.85Å
827R74Confident78.1Confident132 Ų13252 Ų5250%0.49825%0.251SS..Hα-helixtrans-59.4-42.2173-164.8175.1-176.9121.46.5111.2E457 R821 L823 N824 N829E457-R827 IonicContact OE1-CZ 3.17Å; E457-R827 IonicContact OE1-NH1 2.69Å; E457-R827 PolarHBondContact OE1-NH1 3Å; E457-R827 IonicContact OE1-NH2 2.85Å; E457-R827 PolarHBondContact OE1-NH2 3.23Å; R821-R827 PolarHBondContact NH2-O 3.4Å; R821-R827 WeakPolarHBondContact O-CB 3.35Å; L823-R827 PolarHBondContact O-N 2.91Å; N824-R827 PolarHBondContact O-N 3.11Å; R827-N829 VanDerWaalsContact C-N 3.31Å; R827-N829 PolarHBondContact O-N 3.01Å
828T74.1Confident78.2Confident111 Ų11152.9 Ų52.968%0.68126%0.255SS*.THydrogen-bonded Turntrans-81.72.5-178.653.50000115.1N824 Q825 L826N824-T828 PolarHBondContact O-N 3Å; N824-T828 PolarHBondContact O-OG1 3.36Å; Q825-T828 PolarHBondContact O-OG1 2.91Å; L826-T828 VanDerWaalsContact C-N 3.3Å; L826-T828 PolarHBondContact O-N 3.04Å
829N80.5Confident78.6Confident23 Ų2350 Ų5012%0.12324%0.244CC..  trans-94.7102.8-176.2-172.6-26.3000111.2L826 R827 E831 I832L826-N829 PolarHBondContact O-N 3.41Å; R827-N829 VanDerWaalsContact C-N 3.31Å; R827-N829 PolarHBondContact O-N 3.01Å; N829-E831 PolarHBondContact O-N 3.43Å; N829-E831 WeakPolarHBondContact OD1-CB 3.43Å; N829-E831 VanDerWaalsContact OD1-CG 3.27Å; N829-E831 WeakPolarHBondContact OD1-CG 3.18Å; N829-E831 PolarHBondContact OD1-N 3.5Å; N829-I832 HydrophobicContact CB-CD1 3.87Å; N829-I832 HydrophobicContact CB-CG1 4.05Å; N829-I832 PolarHBondContact O-N 3.03Å
830D81.1Confident79.2Confident113 Ų11352.9 Ų52.960%0.60426%0.255SS*.Hα-helixtrans-62.4-22.8-179.9-70.7-36.6000113.7I832 M833 Y834D830-I832 VanDerWaalsContact C-N 3.28Å; D830-I832 PolarHBondContact O-N 2.78Å; D830-M833 PolarHBondContact O-N 2.79Å; D830-Y834 PolarHBondContact O-N 3.02Å; D830-Y834 VanDerWaalsContact O-N 3.16Å
831E85.3Confident79.2Confident15 Ų1558.1 Ų58.17%0.0728%0.283CS..Hα-helixtrans-62.3-39.3176.2-52.5-152.9-133.400111.7F795 N829 M833 Y834 L835 Y869 A870 Y871 I872F795-E831 HydrophobicContact CE1-CB 4.24Å; F795-E831 HydrophobicContact CZ-CB 3.73Å; N829-E831 PolarHBondContact O-N 3.43Å; N829-E831 WeakPolarHBondContact OD1-CB 3.43Å; N829-E831 VanDerWaalsContact OD1-CG 3.27Å; N829-E831 WeakPolarHBondContact OD1-CG 3.18Å; N829-E831 PolarHBondContact OD1-N 3.5Å; E831-M833 VanDerWaalsContact C-N 3.3Å; E831-M833 PolarHBondContact O-N 3.42Å; E831-Y834 PolarHBondContact O-N 2.78Å; E831-L835 PolarHBondContact O-N 3.36Å; E831-Y869 HydrophobicContact CB-CD1 3.96Å; E831-Y869 HydrophobicContact CB-CE1 4.48Å; E831-Y869 VanDerWaalsContact CD-C 3.41Å; E831-Y869 HydrophobicContact CG-CD1 3.53Å; E831-Y869 HydrophobicContact CG-CE1 4.19Å; E831-Y869 HydrophobicContact CG-CG 4.13Å; E831-Y869 VanDerWaalsContact OE1-C 3.31Å; E831-Y869 WeakPolarHBondContact OE1-CA 3.37Å; E831-Y869 WeakPolarHBondContact OE2-CA 3.32Å; E831-Y869 VanDerWaalsContact OE2-CB 3.31Å; E831-Y869 WeakPolarHBondContact OE2-CB 3.35Å; E831-A870 PolarHBondContact OE1-N 2.95Å; E831-A870 PolarHBondContact OE2-N 3.25Å; E831-Y871 VanDerWaalsContact CD-N 3.27Å; E831-Y871 WeakPolarHBondContact OE1-CD2 3.38Å; E831-Y871 PolarHBondContact OE1-N 3.19Å; E831-Y871 WeakPolarHBondContact OE2-CA 3.47Å; E831-Y871 PolarHBondContact OE2-N 3.41Å; E831-I872 HydrophobicContact CB-CD1 3.97Å; E831-I872 HydrophobicContact CB-CG1 4.14Å; E831-I872 WeakPolarHBondContact O-CD1 3.24Å; E831-I872 PolarHBondContact OE2-N 3.24Å
832I85.1Confident79.6Confident0 Ų056.3 Ų56.30%028%0.276CS..Hα-helixtrans-66.7-37.8-179-50.5177.4000109.6L790 I794 F795 R821 L826 N829 D830 Y834 L835 L836L790-I832 HydrophobicContact CD2-CD1 4.27Å; I794-I832 HydrophobicContact CD1-CD1 4Å; I794-I832 HydrophobicContact CG2-CG1 4.27Å; I794-I832 HydrophobicContact CG2-CG2 4.24Å; F795-I832 HydrophobicContact CE2-CG1 3.91Å; F795-I832 HydrophobicContact CZ-CB 4.47Å; F795-I832 HydrophobicContact CZ-CG1 3.74Å; R821-I832 HydrophobicContact CG-CD1 4.38Å; R821-I832 HydrophobicContact CG-CG2 4.25Å; L826-I832 HydrophobicContact CB-CD1 4.04Å; L826-I832 HydrophobicContact CD2-CD1 3.85Å; N829-I832 HydrophobicContact CB-CD1 3.87Å; N829-I832 HydrophobicContact CB-CG1 4.05Å; N829-I832 PolarHBondContact O-N 3.03Å; D830-I832 VanDerWaalsContact C-N 3.28Å; D830-I832 PolarHBondContact O-N 2.78Å; I832-Y834 PolarHBondContact O-N 3.38Å; I832-L835 PolarHBondContact O-N 3.4Å; I832-L836 HydrophobicContact CG2-CD1 4.06Å; I832-L836 HydrophobicContact CG2-CG 4.39Å; I832-L836 VanDerWaalsContact O-CB 3.31Å; I832-L836 WeakPolarHBondContact O-CB 3.47Å; I832-L836 WeakPolarHBondContact O-CD1 3.31Å; I832-L836 WeakPolarHBondContact O-CG 3.46Å; I832-L836 PolarHBondContact O-N 3.27Å
833M82.3Confident80.1Confident69 Ų6952.8 Ų52.834%0.3426%0.261SS..Hα-helixtrans-64.2-39.1176.2-69.4-72.4-87.100112.3R821 D830 E831 L836 N837R821-M833 VanDerWaalsContact CZ-SD 3.51Å; R821-M833 PolarHBondContact NH1-SD 2.86Å; D830-M833 PolarHBondContact O-N 2.79Å; E831-M833 VanDerWaalsContact C-N 3.3Å; E831-M833 PolarHBondContact O-N 3.42Å; M833-L836 HydrophobicContact SD-CD1 4.45Å; M833-N837 PolarHBondContact O-N 3.02Å; M833-N837 PolarHBondContact O-ND2 3.41Å
834Y83.7Confident80.2Confident61 Ų6154.2 Ų54.224%0.23927%0.274CS..Hα-helixtrans-67.1-46.5176.1-174.6-85.2000111.9D830 E831 I832 L836 N837 L838 I861 H863 L864 I872D830-Y834 PolarHBondContact O-N 3.02Å; D830-Y834 VanDerWaalsContact O-N 3.16Å; E831-Y834 PolarHBondContact O-N 2.78Å; I832-Y834 PolarHBondContact O-N 3.38Å; Y834-L836 PolarHBondContact O-N 2.92Å; Y834-N837 PolarHBondContact O-N 3.35Å; Y834-L838 HydrophobicContact CD1-CD1 4.07Å; Y834-L838 HydrophobicContact CD1-CG 4.32Å; Y834-L838 HydrophobicContact CE1-CD1 3.35Å; Y834-L838 HydrophobicContact CE1-CG 3.84Å; Y834-L838 PolarHBondContact O-N 3.36Å; Y834-L838 VanDerWaalsContact O-N 3.13Å; Y834-I861 HydrophobicContact CE1-CG2 4.27Å; Y834-H863 PolarHBondContact OH-CE1 3.49Å; Y834-H863 PolarHBondContact OH-NE2 3.37Å; Y834-L864 HydrophobicContact CD1-CD1 3.65Å; Y834-L864 HydrophobicContact CE1-CD1 3.31Å; Y834-L864 HydrophobicContact CE1-CG 4.3Å; Y834-L864 HydrophobicContact CE2-CD1 4.29Å; Y834-L864 HydrophobicContact CG-CD1 4.26Å; Y834-I872 HydrophobicContact CD1-CD1 3.64Å; Y834-I872 HydrophobicContact CG-CD1 4.15Å
835L87Confident80.3Confident0 Ų049.6 Ų49.60%025%0.248CC..Hα-helixtrans-62-42.9177.9-179.658.3000112.1I794 F795 I800 F817 E831 I832 N837 L838 L839 L857 I872 L876I794-L835 HydrophobicContact CG2-CD2 4.35Å; I794-L835 WeakPolarHBondContact O-CD2 3.21Å; F795-L835 HydrophobicContact CD1-CD2 3.76Å; F795-L835 HydrophobicContact CE1-CB 4.24Å; F795-L835 HydrophobicContact CE1-CD2 3.62Å; I800-L835 HydrophobicContact CD1-CD2 4.26Å; F817-L835 HydrophobicContact CE2-CD2 3.81Å; F817-L835 HydrophobicContact CE2-CG 4.34Å; E831-L835 PolarHBondContact O-N 3.36Å; I832-L835 PolarHBondContact O-N 3.4Å; L835-N837 VanDerWaalsContact C-N 3.33Å; L835-N837 PolarHBondContact O-N 2.88Å; L835-L838 PolarHBondContact O-N 3.19Å; L835-L839 HydrophobicContact CD1-CD1 4.35Å; L835-L839 HydrophobicContact CD1-CG 4.28Å; L835-L839 HydrophobicContact CG-CD1 4.21Å; L835-L839 WeakPolarHBondContact O-CG 3.4Å; L835-L839 PolarHBondContact O-N 3.5Å; L835-L857 HydrophobicContact CD1-CD2 4.45Å; L835-I872 HydrophobicContact CB-CD1 4.28Å; L835-L876 HydrophobicContact CD1-CD2 3.81Å; L835-L876 HydrophobicContact CD2-CD2 4.04Å
836L83.5Confident80.7Confident0 Ų044.8 Ų44.80%023%0.225CC..Hα-helixtrans-54.5-46.1174.9-80.3167000112.3I814 F817 Y818 I832 M833 Y834 L839 R840I814-L836 HydrophobicContact CB-CD2 4.15Å; I814-L836 HydrophobicContact CG1-CD2 4.43Å; I814-L836 HydrophobicContact CG2-CD2 3.76Å; I814-L836 WeakPolarHBondContact O-CD2 3.39Å; F817-L836 HydrophobicContact CB-CD2 3.65Å; F817-L836 HydrophobicContact CB-CG 4.34Å; F817-L836 HydrophobicContact CD2-CD2 4.37Å; Y818-L836 HydrophobicContact CD2-CD1 4.24Å; Y818-L836 HydrophobicContact CD2-CD2 3.91Å; Y818-L836 HydrophobicContact CE1-CD1 4.44Å; Y818-L836 HydrophobicContact CE2-CD1 3.93Å; Y818-L836 HydrophobicContact CE2-CD2 3.85Å; Y818-L836 HydrophobicContact CE2-CG 4.42Å; I832-L836 HydrophobicContact CG2-CD1 4.06Å; I832-L836 HydrophobicContact CG2-CG 4.39Å; I832-L836 VanDerWaalsContact O-CB 3.31Å; I832-L836 WeakPolarHBondContact O-CB 3.47Å; I832-L836 WeakPolarHBondContact O-CD1 3.31Å; I832-L836 WeakPolarHBondContact O-CG 3.46Å; I832-L836 PolarHBondContact O-N 3.27Å; M833-L836 HydrophobicContact SD-CD1 4.45Å; Y834-L836 PolarHBondContact O-N 2.92Å; L836-L839 PolarHBondContact O-N 2.8Å; L836-R840 WeakPolarHBondContact O-CG 3.49Å; L836-R840 PolarHBondContact O-N 3.31Å; L836-R840 VanDerWaalsContact O-N 3.12Å
837N82.9Confident80.3Confident75 Ų7547.3 Ų47.340%0.40124%0.243SC..Hα-helixtrans-70.9-32.6-178.9-70.8-20000112.7M833 Y834 L835 R840 N841M833-N837 PolarHBondContact O-N 3.02Å; M833-N837 PolarHBondContact O-ND2 3.41Å; Y834-N837 PolarHBondContact O-N 3.35Å; L835-N837 VanDerWaalsContact C-N 3.33Å; L835-N837 PolarHBondContact O-N 2.88Å; N837-R840 PolarHBondContact OD1-NH1 2.96Å; N837-R840 VanDerWaalsContact OD1-NH1 3.17Å; N837-N841 VanDerWaalsContact O-CG 3.29Å; N837-N841 PolarHBondContact O-N 3.23Å; N837-N841 VanDerWaalsContact O-N 3.14Å; N837-N841 PolarHBondContact O-OD1 2.83Å
838L83.9Confident80.1Confident18 Ų1844.6 Ų44.69%0.09424%0.238CC..Hα-helixtrans-69.1-41.1172.3-74.1-170.2000113.1Y834 L835 R840 N841 L842 R860 I861Y834-L838 HydrophobicContact CD1-CD1 4.07Å; Y834-L838 HydrophobicContact CD1-CG 4.32Å; Y834-L838 HydrophobicContact CE1-CD1 3.35Å; Y834-L838 HydrophobicContact CE1-CG 3.84Å; Y834-L838 PolarHBondContact O-N 3.36Å; Y834-L838 VanDerWaalsContact O-N 3.13Å; L835-L838 PolarHBondContact O-N 3.19Å; L838-R840 VanDerWaalsContact C-N 3.3Å; L838-R840 PolarHBondContact O-N 3.33Å; L838-N841 CarbonylContact O-C 3.35Å; L838-N841 PolarHBondContact O-N 2.9Å; L838-L842 WeakPolarHBondContact O-CB 3.47Å; L838-L842 WeakPolarHBondContact O-CD1 3.23Å; L838-L842 WeakPolarHBondContact O-CG 3.44Å; L838-L842 PolarHBondContact O-N 3.21Å; L838-R860 HydrophobicContact CD1-CB 3.86Å; L838-R860 HydrophobicContact CD2-CB 4.01Å; L838-I861 HydrophobicContact CD1-CG2 3.34Å
839L85.3Confident80.1Confident3 Ų339.4 Ų39.42%0.01621%0.206CC..Hα-helixtrans-63.3-36.7176.7-69.3173.4000111.6I800 V813 I814 F817 L835 L836 L842 S843 L846 L853 L857I800-L839 HydrophobicContact CG2-CD2 4.12Å; V813-L839 HydrophobicContact CG1-CD1 4.43Å; I814-L839 HydrophobicContact CD1-CB 3.87Å; I814-L839 HydrophobicContact CG1-CB 3.79Å; F817-L839 HydrophobicContact CD2-CD1 4.33Å; F817-L839 HydrophobicContact CE2-CD1 4.01Å; L835-L839 HydrophobicContact CD1-CD1 4.35Å; L835-L839 HydrophobicContact CD1-CG 4.28Å; L835-L839 HydrophobicContact CG-CD1 4.21Å; L835-L839 WeakPolarHBondContact O-CG 3.4Å; L835-L839 PolarHBondContact O-N 3.5Å; L836-L839 PolarHBondContact O-N 2.8Å; L839-L842 PolarHBondContact O-N 3.49Å; L839-S843 PolarHBondContact O-N 2.8Å; L839-L846 HydrophobicContact CD2-CD1 4.47Å; L839-L853 HydrophobicContact CD2-CD1 4.22Å; L839-L857 HydrophobicContact CD2-CD2 4.4Å
840R81.5Confident80Confident91 Ų9139.5 Ų39.534%0.34321%0.208SC..Hα-helixtrans-58.8-54.4171.1-76.5177.7168.4132-2.4111.2I814 Y818 L836 N837 L838 L842 S843I814-R840 HydrophobicContact CD1-CB 4.39Å; I814-R840 HydrophobicContact CD1-CG 3.72Å; I814-R840 HydrophobicContact CG2-CG 4.4Å; Y818-R840 PolarHBondContact OH-NH1 2.6Å; Y818-R840 PolarHBondContact OH-NH2 2.95Å; L836-R840 WeakPolarHBondContact O-CG 3.49Å; L836-R840 PolarHBondContact O-N 3.31Å; L836-R840 VanDerWaalsContact O-N 3.12Å; N837-R840 PolarHBondContact OD1-NH1 2.96Å; N837-R840 VanDerWaalsContact OD1-NH1 3.17Å; L838-R840 VanDerWaalsContact C-N 3.3Å; L838-R840 PolarHBondContact O-N 3.33Å; R840-L842 PolarHBondContact O-N 3.23Å; R840-S843 PolarHBondContact O-N 2.73Å; R840-S843 PolarHBondContact O-OG 3.08Å
841N77.4Confident79.8Confident110 Ų11035.3 Ų35.359%0.58819%0.187SC*.THydrogen-bonded Turntrans-68.66.7-179.5-63.6-0.1000113.8N837 L838 R860N837-N841 VanDerWaalsContact O-CG 3.29Å; N837-N841 PolarHBondContact O-N 3.23Å; N837-N841 VanDerWaalsContact O-N 3.14Å; N837-N841 PolarHBondContact O-OD1 2.83Å; L838-N841 CarbonylContact O-C 3.35Å; L838-N841 PolarHBondContact O-N 2.9Å; N841-R860 PolarHBondContact O-NH1 3.29Å; N841-R860 PolarHBondContact O-NH2 2.86Å
842L80.6Confident79.7Confident0 Ų034.7 Ų34.70%018%0.184CC..THydrogen-bonded Turntrans-121.9-7.1177.2-76.5174.2000114L838 L839 R840 S844 K845 L846 E856 L857L838-L842 WeakPolarHBondContact O-CB 3.47Å; L838-L842 WeakPolarHBondContact O-CD1 3.23Å; L838-L842 WeakPolarHBondContact O-CG 3.44Å; L838-L842 PolarHBondContact O-N 3.21Å; L839-L842 PolarHBondContact O-N 3.49Å; R840-L842 PolarHBondContact O-N 3.23Å; L842-S844 VanDerWaalsContact C-N 3.33Å; L842-S844 PolarHBondContact O-N 3.2Å; L842-K845 HydrophobicContact CD2-CD 4.33Å; L842-K845 PolarHBondContact O-N 3.01Å; L842-L846 HydrophobicContact CB-CD1 3.59Å; L842-L846 HydrophobicContact CB-CG 4.01Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 WeakPolarHBondContact O-CG 3.44Å; L842-L846 PolarHBondContact O-N 2.72Å; L842-E856 HydrophobicContact CD1-CB 3.98Å; L842-E856 HydrophobicContact CD2-CB 3.39Å; L842-E856 HydrophobicContact CD2-CG 3.61Å; L842-E856 WeakPolarHBondContact CD2-OE2 3.43Å; L842-E856 HydrophobicContact CG-CB 4.36Å; L842-L857 HydrophobicContact CD1-CD2 3.84Å
843S79Confident79.7Confident13 Ų1334.7 Ų34.79%0.09118%0.184CC..Hα-helixtrans-62.1-39.7-164.964.30000113.2C421 L839 R840 K845 S847C421-S843 VanDerWaalsContact CB-OG 3.31Å; C421-S843 WeakPolarHBondContact CB-OG 3.15Å; C421-S843 VanDerWaalsContact SG-CB 3.57Å; C421-S843 PolarHBondContact SG-OG 3.49Å; L839-S843 PolarHBondContact O-N 2.8Å; R840-S843 PolarHBondContact O-N 2.73Å; R840-S843 PolarHBondContact O-OG 3.08Å; S843-K845 VanDerWaalsContact C-N 3.32Å; S843-K845 PolarHBondContact O-N 2.84Å; S843-S847 WeakPolarHBondContact O-CB 3.39Å; S843-S847 PolarHBondContact O-N 3.47Å; S843-S847 VanDerWaalsContact O-N 3.1Å; S843-S847 PolarHBondContact O-OG 2.81Å
844S73.8Confident79.8Confident69 Ų6931.4 Ų31.448%0.48317%0.168SC..Hα-helixtrans-66.2-27.4176.655.80000114.4L842 S847L842-S844 VanDerWaalsContact C-N 3.33Å; L842-S844 PolarHBondContact O-N 3.2Å; S844-S847 PolarHBondContact O-OG 3.38Å
845K75.8Confident79.8Confident36 Ų3629 Ų2916%0.15716%0.16CC..Hα-helixtrans-84.7-42.7177.1-58.2-173.1-177.3-167.20111.4L842 S843 S847 I848 A849 E856 L1853 T1855L842-K845 HydrophobicContact CD2-CD 4.33Å; L842-K845 PolarHBondContact O-N 3.01Å; S843-K845 VanDerWaalsContact C-N 3.32Å; S843-K845 PolarHBondContact O-N 2.84Å; K845-S847 VanDerWaalsContact C-N 3.35Å; K845-S847 PolarHBondContact O-N 3.04Å; K845-I848 PolarHBondContact O-N 3.19Å; K845-A849 PolarHBondContact O-N 2.73Å; K845-A849 VanDerWaalsContact O-N 3.13Å; K845-E856 HydrophobicContact CD-CG 4.38Å; K845-E856 WeakPolarHBondContact CD-OE1 3.48Å; K845-E856 IonicContact NZ-OE1 2.76Å; K845-E856 PolarHBondContact NZ-OE1 3.23Å; K845-E856 IonicContact NZ-OE2 2.72Å; K845-E856 PolarHBondContact NZ-OE2 2.89Å; K845-L1853 HydrophobicContact CD-CD2 4.09Å; K845-L1853 HydrophobicContact CG-CD2 4.25Å; K845-T1855 PolarHBondContact NZ-OG1 2.98Å
846L79.6Confident79.6Confident1 Ų130.1 Ų30.11%0.00517%0.165CC..Hα-helixtrans-71.5-27.1-176.9-66173.5000112.8L804 P810 L839 L842 I848 A849 P850 L853L804-L846 HydrophobicContact CD1-CB 4.39Å; L804-L846 HydrophobicContact CD1-CD1 3.95Å; L804-L846 HydrophobicContact CD1-CD2 4.31Å; L804-L846 HydrophobicContact CD1-CG 4.45Å; L804-L846 HydrophobicContact CD2-CB 4.34Å; P810-L846 HydrophobicContact CG-CB 3.9Å; L839-L846 HydrophobicContact CD2-CD1 4.47Å; L842-L846 HydrophobicContact CB-CD1 3.59Å; L842-L846 HydrophobicContact CB-CG 4.01Å; L842-L846 HydrophobicContact CD1-CD1 4.41Å; L842-L846 WeakPolarHBondContact O-CG 3.44Å; L842-L846 PolarHBondContact O-N 2.72Å; L846-I848 VanDerWaalsContact C-N 3.3Å; L846-A849 CarbonylContact O-C 3.5Å; L846-P850 VanDerWaalsContact O-CD 3.26Å; L846-P850 WeakPolarHBondContact O-CD 3.24Å; L846-P850 WeakPolarHBondContact O-CG 3.4Å; L846-L853 HydrophobicContact CD1-CD1 3.66Å; L846-L853 HydrophobicContact CD2-CB 3.99Å; L846-L853 HydrophobicContact CD2-CD1 3.79Å; L846-L853 HydrophobicContact CG-CD1 4.4Å
847S70.1Confident79.7Confident54 Ų5430.1 Ų30.138%0.37817%0.165SC..THydrogen-bonded Turntrans-70-24.4172.9630000113.7S843 S844 K845S843-S847 WeakPolarHBondContact O-CB 3.39Å; S843-S847 PolarHBondContact O-N 3.47Å; S843-S847 VanDerWaalsContact O-N 3.1Å; S843-S847 PolarHBondContact O-OG 2.81Å; S844-S847 PolarHBondContact O-OG 3.38Å; K845-S847 VanDerWaalsContact C-N 3.35Å; K845-S847 PolarHBondContact O-N 3.04Å
848I70.1Confident79.6Confident74 Ų7426.5 Ų26.538%0.37915%0.145SC..THydrogen-bonded Turntrans-84.2-45.6175-59172.6000110.5K845 L846 Y1829K845-I848 PolarHBondContact O-N 3.19Å; L846-I848 VanDerWaalsContact C-N 3.3Å; I848-Y1829 HydrophobicContact CD1-CD1 4.4Å; I848-Y1829 HydrophobicContact CD1-CE1 4.14Å; I848-Y1829 HydrophobicContact CG2-CE1 4.42Å; I848-Y1829 HydrophobicContact CG2-CE2 4.24Å
849A74.5Confident79.1Confident3 Ų326 Ų263%0.02514%0.144CC..  trans-144.591.3-178.300000112.3K845 L846 T851 L852 P1800 W1833K845-A849 PolarHBondContact O-N 2.73Å; K845-A849 VanDerWaalsContact O-N 3.13Å; L846-A849 CarbonylContact O-C 3.5Å; A849-T851 PolarHBondContact O-N 3.3Å; A849-T851 VanDerWaalsContact O-N 3.1Å; A849-L852 HydrophobicContact CB-CD1 3.87Å; A849-L852 HydrophobicContact CB-CG 3.9Å; A849-L852 WeakPolarHBondContact O-CB 3.44Å; A849-L852 PolarHBondContact O-N 2.8Å; A849-P1800 HydrophobicContact CB-CG 4.48Å; A849-W1833 HydrophobicContact CB-CH2 4.08Å
850P76.9Confident78.7Confident25 Ų2528.6 Ų28.616%0.16215%0.154CC..G310 helixtrans-53.1-31.5176-31.737.5000114.3L801 L804 L805 L846 L852 L853L801-P850 HydrophobicContact CD1-CB 3.91Å; L801-P850 VanDerWaalsContact CD1-O 3.22Å; L801-P850 WeakPolarHBondContact CD1-O 3.39Å; L804-P850 HydrophobicContact CB-CB 3.88Å; L804-P850 HydrophobicContact CB-CG 4.31Å; L804-P850 WeakPolarHBondContact O-CG 3.48Å; L805-P850 HydrophobicContact CD2-CB 3.76Å; L805-P850 HydrophobicContact CD2-CG 4.13Å; L805-P850 HydrophobicContact CG-CB 3.85Å; L846-P850 VanDerWaalsContact O-CD 3.26Å; L846-P850 WeakPolarHBondContact O-CD 3.24Å; L846-P850 WeakPolarHBondContact O-CG 3.4Å; P850-L852 PolarHBondContact O-N 3.33Å; P850-L853 WeakPolarHBondContact O-CB 3.19Å; P850-L853 PolarHBondContact O-N 3.28Å
851T77.4Confident78.6Confident25 Ų2524.2 Ų24.215%0.15314%0.137CC..G310 helixtrans-67-2.7177.758.90000114.5Y764 A849 L853 N854 V887 N888Y764-T851 HydrophobicContact CE2-CG2 3.82Å; A849-T851 PolarHBondContact O-N 3.3Å; A849-T851 VanDerWaalsContact O-N 3.1Å; T851-L853 VanDerWaalsContact C-N 3.33Å; T851-N854 PolarHBondContact O-OD1 2.82Å; T851-V887 HydrophobicContact CG2-CG1 3.85Å; T851-N888 PolarHBondContact O-ND2 3.28Å
852L82.6Confident78.3Confident2 Ų219 Ų191%0.0111%0.109CC..G310 helixtrans-83.90.1166.1-62.4177.1000113.3A849 P850 N854 V855 E856 W1833 L1853A849-L852 HydrophobicContact CB-CD1 3.87Å; A849-L852 HydrophobicContact CB-CG 3.9Å; A849-L852 WeakPolarHBondContact O-CB 3.44Å; A849-L852 PolarHBondContact O-N 2.8Å; P850-L852 PolarHBondContact O-N 3.33Å; L852-N854 PolarHBondContact O-N 2.9Å; L852-V855 VanDerWaalsContact O-CA 3.29Å; L852-V855 WeakPolarHBondContact O-CA 3.41Å; L852-E856 PolarHBondContact O-N 3.39Å; L852-W1833 HydrophobicContact CD1-CH2 4.25Å; L852-W1833 HydrophobicContact CD1-CZ3 4.4Å; L852-W1833 HydrophobicContact CD2-CZ3 4.37Å; L852-L1853 HydrophobicContact CD1-CB 3.76Å; L852-L1853 HydrophobicContact CD1-CD2 4.27Å; L852-L1853 HydrophobicContact CD2-CB 4.41Å
853L85.6Confident77.9Confident0 Ų022.8 Ų22.80%013%0.127CC..Hα-helixtrans-60.7-42.4-177.5-171.673.2000112.6Y797 I800 L801 L804 L839 L846 P850 T851 L857Y797-L853 HydrophobicContact CD2-CD2 4.02Å; Y797-L853 HydrophobicContact CE2-CB 4.36Å; Y797-L853 HydrophobicContact CE2-CD2 4.04Å; Y797-L853 HydrophobicContact CE2-CG 4.39Å; I800-L853 HydrophobicContact CB-CD2 3.99Å; I800-L853 HydrophobicContact CG2-CD1 4.31Å; I800-L853 HydrophobicContact CG2-CD2 3.6Å; L801-L853 HydrophobicContact CB-CD2 3.67Å; L801-L853 HydrophobicContact CD1-CB 4.41Å; L804-L853 HydrophobicContact CD1-CB 4.41Å; L804-L853 HydrophobicContact CD1-CD1 3.73Å; L804-L853 HydrophobicContact CD1-CD2 4.06Å; L804-L853 HydrophobicContact CD1-CG 4.27Å; L839-L853 HydrophobicContact CD2-CD1 4.22Å; L846-L853 HydrophobicContact CD1-CD1 3.66Å; L846-L853 HydrophobicContact CD2-CB 3.99Å; L846-L853 HydrophobicContact CD2-CD1 3.79Å; L846-L853 HydrophobicContact CG-CD1 4.4Å; P850-L853 WeakPolarHBondContact O-CB 3.19Å; P850-L853 PolarHBondContact O-N 3.28Å; T851-L853 VanDerWaalsContact C-N 3.33Å; L853-L857 HydrophobicContact CD1-CD1 3.68Å; L853-L857 HydrophobicContact CD1-CD2 4.49Å; L853-L857 HydrophobicContact CD1-CG 3.76Å; L853-L857 HydrophobicContact CD2-CD1 4.06Å; L853-L857 HydrophobicContact CG-CD1 3.69Å; L853-L857 HydrophobicContact CG-CG 4.02Å; L853-L857 WeakPolarHBondContact O-CB 3.28Å; L853-L857 WeakPolarHBondContact O-CG 3.3Å; L853-L857 PolarHBondContact O-N 3.43Å
854N83.9Confident77.7Confident0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-67.8-65.8-177.966.8-35.9000111.8Y797 T851 L852 E856 L857 A858 I880 S884 N888 L890Y797-N854 HydrophobicContact CE2-CB 3.75Å; T851-N854 PolarHBondContact O-OD1 2.82Å; L852-N854 PolarHBondContact O-N 2.9Å; N854-E856 PolarHBondContact O-N 2.88Å; N854-L857 PolarHBondContact O-N 3.28Å; N854-A858 WeakPolarHBondContact O-CA 3.42Å; N854-A858 WeakPolarHBondContact O-CB 3.13Å; N854-A858 PolarHBondContact O-N 3.38Å; N854-I880 HydrophobicContact CB-CG2 3.84Å; N854-S884 WeakPolarHBondContact CB-OG 3.34Å; N854-S884 VanDerWaalsContact ND2-CB 3.26Å; N854-S884 WeakPolarHBondContact ND2-CB 3.39Å; N854-S884 PolarHBondContact ND2-OG 2.88Å; N854-N888 PolarHBondContact ND2-O 3.21Å; N854-N888 WeakPolarHBondContact OD1-CB 3.39Å; N854-N888 PolarHBondContact OD1-ND2 3.21Å; N854-L890 PolarHBondContact ND2-O 3.14Å
855V84.4Confident77.5Confident11 Ų1119.7 Ų19.77%0.06710%0.104CC..Hα-helix28.2-109.4124.7-137.90000117.4L852 G859 L890 P892 A1852 F1897L852-V855 VanDerWaalsContact O-CA 3.29Å; L852-V855 WeakPolarHBondContact O-CA 3.41Å; V855-G859 PolarHBondContact O-N 2.87Å; V855-G859 VanDerWaalsContact O-N 3.15Å; V855-L890 HydrophobicContact CG2-CB 3.82Å; V855-L890 WeakPolarHBondContact CG2-O 3.23Å; V855-P892 HydrophobicContact CG1-CG 4.25Å; V855-P892 VanDerWaalsContact O-CG 3.24Å; V855-P892 WeakPolarHBondContact O-CG 3.27Å; V855-A1852 HydrophobicContact CG1-CB 4.01Å; V855-F1897 HydrophobicContact CG1-CE1 3.93Å
856E84Confident77Confident22 Ų2221.8 Ų21.810%0.10312%0.123CC..Hα-helixtrans-71-35.8-175-72.7-83.5170.600113.6L842 K845 L852 N854 R860L842-E856 HydrophobicContact CD1-CB 3.98Å; L842-E856 HydrophobicContact CD2-CB 3.39Å; L842-E856 HydrophobicContact CD2-CG 3.61Å; L842-E856 WeakPolarHBondContact CD2-OE2 3.43Å; L842-E856 HydrophobicContact CG-CB 4.36Å; K845-E856 HydrophobicContact CD-CG 4.38Å; K845-E856 WeakPolarHBondContact CD-OE1 3.48Å; K845-E856 IonicContact NZ-OE1 2.76Å; K845-E856 PolarHBondContact NZ-OE1 3.23Å; K845-E856 IonicContact NZ-OE2 2.72Å; K845-E856 PolarHBondContact NZ-OE2 2.89Å; L852-E856 PolarHBondContact O-N 3.39Å; N854-E856 PolarHBondContact O-N 2.88Å; E856-R860 WeakPolarHBondContact O-CB 3.27Å; E856-R860 VanDerWaalsContact O-CG 3.27Å; E856-R860 WeakPolarHBondContact O-CG 3.46Å; E856-R860 PolarHBondContact O-N 3.18Å; E856-R860 IonicContact OE2-CZ 3.05Å; E856-R860 VanDerWaalsContact OE2-CZ 3.3Å; E856-R860 IonicContact OE2-NE 2.78Å; E856-R860 PolarHBondContact OE2-NE 2.9Å; E856-R860 IonicContact OE2-NH2 2.69Å; E856-R860 PolarHBondContact OE2-NH2 3.32Å
857L83.8Confident76.3Confident0 Ų024.5 Ų24.50%014%0.14CC..Hα-helixtrans-67.9-52.2175.8-72.6-174.1000111.1L835 L839 L842 L853 N854 G859 R860 I861 I880L835-L857 HydrophobicContact CD1-CD2 4.45Å; L839-L857 HydrophobicContact CD2-CD2 4.4Å; L842-L857 HydrophobicContact CD1-CD2 3.84Å; L853-L857 HydrophobicContact CD1-CD1 3.68Å; L853-L857 HydrophobicContact CD1-CD2 4.49Å; L853-L857 HydrophobicContact CD1-CG 3.76Å; L853-L857 HydrophobicContact CD2-CD1 4.06Å; L853-L857 HydrophobicContact CG-CD1 3.69Å; L853-L857 HydrophobicContact CG-CG 4.02Å; L853-L857 WeakPolarHBondContact O-CB 3.28Å; L853-L857 WeakPolarHBondContact O-CG 3.3Å; L853-L857 PolarHBondContact O-N 3.43Å; N854-L857 PolarHBondContact O-N 3.28Å; L857-G859 PolarHBondContact O-N 3.3Å; L857-R860 PolarHBondContact O-N 3.45Å; L857-I861 VanDerWaalsContact O-CG1 3.31Å; L857-I861 WeakPolarHBondContact O-CG1 3.34Å; L857-I861 PolarHBondContact O-N 2.74Å; L857-I880 HydrophobicContact CB-CD1 3.84Å; L857-I880 HydrophobicContact CD1-CD1 4.11Å
858A80.8Confident76.1Confident0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-55.7-36.7177.100000112.2N854 G862 L877 I880 L891 P892N854-A858 WeakPolarHBondContact O-CA 3.42Å; N854-A858 WeakPolarHBondContact O-CB 3.13Å; N854-A858 PolarHBondContact O-N 3.38Å; A858-G862 WeakPolarHBondContact O-CA 3.43Å; A858-G862 PolarHBondContact O-N 2.8Å; A858-G862 VanDerWaalsContact O-N 3.12Å; A858-L877 HydrophobicContact CB-CD1 4.29Å; A858-I880 HydrophobicContact CB-CG2 4.03Å; A858-L891 HydrophobicContact CB-CD2 4.03Å; A858-P892 HydrophobicContact CB-CG 4.18Å
859G73.5Confident76.5Confident6 Ų629.6 Ų29.66%0.06216%0.159CC..Hα-helixtrans-61.4-57.7171.300000110.8V855 L857 P895V855-G859 PolarHBondContact O-N 2.87Å; V855-G859 VanDerWaalsContact O-N 3.15Å; L857-G859 PolarHBondContact O-N 3.3Å; G859-P895 WeakPolarHBondContact O-CA 3.41Å; G859-P895 VanDerWaalsContact O-CB 3.27Å; G859-P895 WeakPolarHBondContact O-CB 3.41Å; G859-P895 VanDerWaalsContact O-CD 3.26Å; G859-P895 WeakPolarHBondContact O-CD 3.26Å; G859-P895 WeakPolarHBondContact O-CG 3.19Å
860R78.4Confident76.6Confident58 Ų5831.7 Ų31.722%0.21918%0.176CC..Hα-helixtrans-75.3-29.5-171.7-64.4178.5-166.9-151.36.2114.8L838 N841 E856 L857 H863L838-R860 HydrophobicContact CD1-CB 3.86Å; L838-R860 HydrophobicContact CD2-CB 4.01Å; N841-R860 PolarHBondContact O-NH1 3.29Å; N841-R860 PolarHBondContact O-NH2 2.86Å; E856-R860 WeakPolarHBondContact O-CB 3.27Å; E856-R860 VanDerWaalsContact O-CG 3.27Å; E856-R860 WeakPolarHBondContact O-CG 3.46Å; E856-R860 PolarHBondContact O-N 3.18Å; E856-R860 IonicContact OE2-CZ 3.05Å; E856-R860 VanDerWaalsContact OE2-CZ 3.3Å; E856-R860 IonicContact OE2-NE 2.78Å; E856-R860 PolarHBondContact OE2-NE 2.9Å; E856-R860 IonicContact OE2-NH2 2.69Å; E856-R860 PolarHBondContact OE2-NH2 3.32Å; L857-R860 PolarHBondContact O-N 3.45Å; R860-H863 PolarHBondContact O-CE1 2.69Å; R860-H863 PolarHBondContact O-ND1 2.76Å
861I78.7Confident76.8Confident0 Ų032.7 Ų32.70%018%0.177CC..Hα-helixtrans-99.4-10.818082-170.9000113.9Y834 L838 L857 H863 L864 I872 L876 L877 I880Y834-I861 HydrophobicContact CE1-CG2 4.27Å; L838-I861 HydrophobicContact CD1-CG2 3.34Å; L857-I861 VanDerWaalsContact O-CG1 3.31Å; L857-I861 WeakPolarHBondContact O-CG1 3.34Å; L857-I861 PolarHBondContact O-N 2.74Å; I861-H863 PolarHBondContact O-N 2.74Å; I861-L864 PolarHBondContact O-N 2.84Å; I861-I872 HydrophobicContact CB-CG2 3.85Å; I861-I872 HydrophobicContact CD1-CG2 3.91Å; I861-I872 HydrophobicContact CG1-CG2 4.29Å; I861-I872 HydrophobicContact CG2-CG2 3.97Å; I861-L876 HydrophobicContact CD1-CD2 4.19Å; I861-L876 HydrophobicContact CD1-CG 4.27Å; I861-L877 HydrophobicContact CD1-CB 3.97Å; I861-L877 HydrophobicContact CD1-CD1 3.98Å; I861-L877 HydrophobicContact CD1-CG 4.45Å; I861-L877 HydrophobicContact CG1-CB 4.25Å; I861-L877 HydrophobicContact CG1-CD1 3.82Å; I861-L877 HydrophobicContact CG1-CD2 4.23Å; I861-L877 HydrophobicContact CG1-CG 4.32Å; I861-I880 HydrophobicContact CD1-CD1 3.94Å
862G71.7Confident77.1Confident0 Ų031.5 Ų31.50%017%0.169CC..THydrogen-bonded Turntrans-58.6-15.1-176.300000115.2A858 I865A858-G862 WeakPolarHBondContact O-CA 3.43Å; A858-G862 PolarHBondContact O-N 2.8Å; A858-G862 VanDerWaalsContact O-N 3.12Å; G862-I865 WeakPolarHBondContact O-CD1 3.25Å
863H71.5Confident76.6Confident80 Ų8031.6 Ų31.637%0.3717%0.17SC..THydrogen-bonded Turntrans-89.8-10.7175.673.1-95.6000114.8Y834 R860 I861 I865 L894 V1913Y834-H863 PolarHBondContact OH-CE1 3.49Å; Y834-H863 PolarHBondContact OH-NE2 3.37Å; R860-H863 PolarHBondContact O-CE1 2.69Å; R860-H863 PolarHBondContact O-ND1 2.76Å; I861-H863 PolarHBondContact O-N 2.74Å; H863-I865 VanDerWaalsContact C-N 3.3Å; H863-I865 PolarHBondContact O-N 3.2Å; H863-L894 HydrophobicContact CB-CD2 4.18Å; H863-V1913 VanDerWaalsContact O-CG2 3.26Å; H863-V1913 WeakPolarHBondContact O-CG2 2.95Å
864L74.6Confident76.1Confident15 Ų1537.8 Ų37.88%0.07919%0.194CC..  trans-84.72.2-178.5-69.7-174.2000114.4Y834 I861 S866 T867 I872Y834-L864 HydrophobicContact CD1-CD1 3.65Å; Y834-L864 HydrophobicContact CE1-CD1 3.31Å; Y834-L864 HydrophobicContact CE1-CG 4.3Å; Y834-L864 HydrophobicContact CE2-CD1 4.29Å; Y834-L864 HydrophobicContact CG-CD1 4.26Å; I861-L864 PolarHBondContact O-N 2.84Å; L864-S866 PolarHBondContact O-N 3.28Å; L864-T867 HydrophobicContact CD2-CG2 4.36Å; L864-T867 WeakPolarHBondContact O-CB 3.48Å; L864-T867 WeakPolarHBondContact O-CG2 3.28Å; L864-T867 PolarHBondContact O-N 2.95Å; L864-T867 VanDerWaalsContact O-N 3.15Å; L864-T867 PolarHBondContact O-OG1 3.19Å; L864-I872 HydrophobicContact CD1-CB 4.45Å; L864-I872 HydrophobicContact CD1-CD1 4.35Å; L864-I872 HydrophobicContact CD1-CG2 3.93Å
865I69.7Low76Confident2 Ų240.2 Ų40.21%0.0121%0.205CC..THydrogen-bonded Turntrans-69.7132.1-175.8-51.4178.3000109.7G862 H863 T867 L877 H1910 V1913 R1916G862-I865 WeakPolarHBondContact O-CD1 3.25Å; H863-I865 VanDerWaalsContact C-N 3.3Å; H863-I865 PolarHBondContact O-N 3.2Å; I865-T867 PolarHBondContact O-N 3.13Å; I865-L877 HydrophobicContact CD1-CD2 3.37Å; I865-L877 HydrophobicContact CG1-CD2 3.53Å; I865-H1910 HydrophobicContact CG2-CB 3.6Å; I865-V1913 HydrophobicContact CB-CG2 4.35Å; I865-R1916 HydrophobicContact CD1-CB 3.16Å; I865-R1916 HydrophobicContact CD1-CG 3.31Å
866S64.4Low76Confident79 Ų7939.7 Ų39.755%0.55220%0.202SC*.THydrogen-bonded Turntrans61.419.7-170.986.50000116L864 S1911 N1912L864-S866 PolarHBondContact O-N 3.28Å; S866-S1911 WeakPolarHBondContact CB-O 3.34Å; S866-S1911 PolarHBondContact OG-O 3.47Å; S866-N1912 WeakPolarHBondContact OG-CA 3.26Å; S866-N1912 WeakPolarHBondContact OG-CB 3.02Å
867T65.6Low76Confident59 Ų5938.7 Ų38.736%0.36220%0.197SC..SBendtrans-78.1172.115366.40000109.2L864 I865 Y869L864-T867 HydrophobicContact CD2-CG2 4.36Å; L864-T867 WeakPolarHBondContact O-CB 3.48Å; L864-T867 WeakPolarHBondContact O-CG2 3.28Å; L864-T867 PolarHBondContact O-N 2.95Å; L864-T867 VanDerWaalsContact O-N 3.15Å; L864-T867 PolarHBondContact O-OG1 3.19Å; I865-T867 PolarHBondContact O-N 3.13Å; T867-Y869 PolarHBondContact O-N 2.82Å; T867-Y869 WeakPolarHBondContact OG1-CB 3.39Å; T867-Y869 VanDerWaalsContact OG1-CD2 3.25Å; T867-Y869 WeakPolarHBondContact OG1-CD2 3.5Å; T867-Y869 PolarHBondContact OG1-N 3.2Å
868D66.7Low75.8Confident164 Ų16439.4 Ų39.488%0.87720%0.201SC*.SBendtrans-65-4.1176.3-56.6-57.3000113.7A870D868-A870 VanDerWaalsContact C-N 3.27Å; D868-A870 PolarHBondContact O-N 3.17Å
869Y77.9Confident75.7Confident71 Ų7140.7 Ų40.728%0.27821%0.21SC..  trans-73.275.4176.5-66.8-106.6000111.1E831 T867 Y871 I872 G873E831-Y869 HydrophobicContact CB-CD1 3.96Å; E831-Y869 HydrophobicContact CB-CE1 4.48Å; E831-Y869 VanDerWaalsContact CD-C 3.41Å; E831-Y869 HydrophobicContact CG-CD1 3.53Å; E831-Y869 HydrophobicContact CG-CE1 4.19Å; E831-Y869 HydrophobicContact CG-CG 4.13Å; E831-Y869 VanDerWaalsContact OE1-C 3.31Å; E831-Y869 WeakPolarHBondContact OE1-CA 3.37Å; E831-Y869 WeakPolarHBondContact OE2-CA 3.32Å; E831-Y869 VanDerWaalsContact OE2-CB 3.31Å; E831-Y869 WeakPolarHBondContact OE2-CB 3.35Å; T867-Y869 PolarHBondContact O-N 2.82Å; T867-Y869 WeakPolarHBondContact OG1-CB 3.39Å; T867-Y869 VanDerWaalsContact OG1-CD2 3.25Å; T867-Y869 WeakPolarHBondContact OG1-CD2 3.5Å; T867-Y869 PolarHBondContact OG1-N 3.2Å; Y869-Y871 VanDerWaalsContact C-N 3.31Å; Y869-Y871 PolarHBondContact O-N 2.93Å; Y869-I872 HydrophobicContact CD1-CD1 4.02Å; Y869-G873 WeakPolarHBondContact O-CA 3.35Å; Y869-G873 PolarHBondContact O-N 2.81Å
870A76.4Confident76.2Confident47 Ų4740.4 Ų40.439%0.38821%0.207SC..Iπ-helixtrans-66.1-24.9-177.400000114.1E831 D868 R874 Q875E831-A870 PolarHBondContact OE1-N 2.95Å; E831-A870 PolarHBondContact OE2-N 3.25Å; D868-A870 VanDerWaalsContact C-N 3.27Å; D868-A870 PolarHBondContact O-N 3.17Å; A870-R874 WeakPolarHBondContact O-CB 3.35Å; A870-Q875 PolarHBondContact O-N 3.21Å
871Y81.6Confident76.2Confident46 Ų4637.7 Ų37.718%0.1820%0.197CC..Iπ-helixtrans-94.8-38.9179.3-57.6-78.1000113.1Q787 L790 F795 E831 Y869 Q875 L876Q787-Y871 PolarHBondContact NE2-OH 2.81Å; Q787-Y871 PolarHBondContact OE1-OH 3.17Å; L790-Y871 HydrophobicContact CB-CD1 4.09Å; L790-Y871 HydrophobicContact CB-CE1 3.91Å; L790-Y871 HydrophobicContact CD1-CE1 4.05Å; L790-Y871 HydrophobicContact CD1-CE2 4.09Å; L790-Y871 HydrophobicContact CD2-CD2 4.49Å; L790-Y871 HydrophobicContact CG-CE1 4.45Å; F795-Y871 HydrophobicContact CD2-CD1 4.36Å; F795-Y871 AromaticContact CD2-CG 3.95Å; F795-Y871 HydrophobicContact CD2-CG 3.95Å; F795-Y871 HydrophobicContact CE2-CG 4.12Å; E831-Y871 VanDerWaalsContact CD-N 3.27Å; E831-Y871 WeakPolarHBondContact OE1-CD2 3.38Å; E831-Y871 PolarHBondContact OE1-N 3.19Å; E831-Y871 WeakPolarHBondContact OE2-CA 3.47Å; E831-Y871 PolarHBondContact OE2-N 3.41Å; Y869-Y871 VanDerWaalsContact C-N 3.31Å; Y869-Y871 PolarHBondContact O-N 2.93Å; Y871-Q875 WeakPolarHBondContact O-CB 3.49Å; Y871-Q875 PolarHBondContact O-N 3Å; Y871-L876 WeakPolarHBondContact O-CB 3.47Å; Y871-L876 PolarHBondContact O-N 3.45Å
872I82.4Confident75.9Confident0 Ų038.6 Ų38.60%020%0.203CC..Iπ-helixtrans-76.3-61.7173-61.5167000110.8F795 E831 Y834 L835 I861 L864 Y869 R874 L877F795-I872 HydrophobicContact CD1-CG1 3.93Å; F795-I872 HydrophobicContact CE1-CD1 4.29Å; F795-I872 HydrophobicContact CE1-CG1 3.42Å; F795-I872 VanDerWaalsContact CE1-CG1 3.42Å; F795-I872 HydrophobicContact CZ-CG1 4.36Å; E831-I872 HydrophobicContact CB-CD1 3.97Å; E831-I872 HydrophobicContact CB-CG1 4.14Å; E831-I872 WeakPolarHBondContact O-CD1 3.24Å; E831-I872 PolarHBondContact OE2-N 3.24Å; Y834-I872 HydrophobicContact CD1-CD1 3.64Å; Y834-I872 HydrophobicContact CG-CD1 4.15Å; L835-I872 HydrophobicContact CB-CD1 4.28Å; I861-I872 HydrophobicContact CB-CG2 3.85Å; I861-I872 HydrophobicContact CD1-CG2 3.91Å; I861-I872 HydrophobicContact CG1-CG2 4.29Å; I861-I872 HydrophobicContact CG2-CG2 3.97Å; L864-I872 HydrophobicContact CD1-CB 4.45Å; L864-I872 HydrophobicContact CD1-CD1 4.35Å; L864-I872 HydrophobicContact CD1-CG2 3.93Å; Y869-I872 HydrophobicContact CD1-CD1 4.02Å; I872-R874 VanDerWaalsContact C-N 3.26Å; I872-R874 PolarHBondContact O-N 3.38Å; I872-L877 PolarHBondContact O-N 2.95Å; I872-L877 VanDerWaalsContact O-N 3.12Å
873G73.1Confident75.6Confident3 Ų340.7 Ų40.73%0.03122%0.215CC..Iπ-helixtrans-72.9-19.3-166.800000113.6Y869Y869-G873 WeakPolarHBondContact O-CA 3.35Å; Y869-G873 PolarHBondContact O-N 2.81Å
874R75.6Confident75.5Confident131 Ų13137 Ų3749%0.49420%0.197SC..Iπ-helixtrans-108.7-72.5172.4-154.7-178.2173.9170-1.5110.1A870 I872 N878 I1909A870-R874 WeakPolarHBondContact O-CB 3.35Å; I872-R874 VanDerWaalsContact C-N 3.26Å; I872-R874 PolarHBondContact O-N 3.38Å; R874-N878 WeakPolarHBondContact O-CB 3.31Å; R874-N878 PolarHBondContact O-N 2.9Å; R874-N878 PolarHBondContact O-ND2 3.4Å; R874-N878 VanDerWaalsContact O-ND2 3.09Å; R874-N878 PolarHBondContact O-OD1 3.48Å; R874-I1909 HydrophobicContact CG-CG1 4.45Å; R874-I1909 HydrophobicContact CG-CG2 3.91Å; R874-I1909 VanDerWaalsContact NE-CG2 3.31Å
875Q80.3Confident75.2Confident51 Ų5136.8 Ų36.824%0.23820%0.196CC..Iπ-helixtrans-67.1-58-164.8-165.4-156.9-81.800114.2K791 F795 A870 Y871 L877 N878 S879K791-Q875 PolarHBondContact O-NE2 3.26Å; K791-Q875 VanDerWaalsContact O-NE2 3.08Å; F795-Q875 VanDerWaalsContact CB-NE2 3.34Å; F795-Q875 PolarHBondContact O-NE2 3.24Å; A870-Q875 PolarHBondContact O-N 3.21Å; Y871-Q875 WeakPolarHBondContact O-CB 3.49Å; Y871-Q875 PolarHBondContact O-N 3Å; Q875-L877 PolarHBondContact O-N 3.44Å; Q875-N878 PolarHBondContact O-N 3.49Å; Q875-S879 PolarHBondContact O-N 2.85Å
876L85.7Confident75.1Confident0 Ų039.9 Ų39.90%021%0.21CC..Iπ-helixtrans-60.1-47.8-178.6176.460.7000110.5F795 I800 L835 I861 Y871 S879 I880F795-L876 HydrophobicContact CB-CB 4.1Å; F795-L876 HydrophobicContact CD1-CB 4.3Å; F795-L876 HydrophobicContact CD1-CD2 4.33Å; F795-L876 WeakPolarHBondContact O-CA 3.33Å; I800-L876 HydrophobicContact CD1-CD1 4.23Å; L835-L876 HydrophobicContact CD1-CD2 3.81Å; L835-L876 HydrophobicContact CD2-CD2 4.04Å; I861-L876 HydrophobicContact CD1-CD2 4.19Å; I861-L876 HydrophobicContact CD1-CG 4.27Å; Y871-L876 WeakPolarHBondContact O-CB 3.47Å; Y871-L876 PolarHBondContact O-N 3.45Å; L876-S879 PolarHBondContact O-N 3.26Å; L876-S879 VanDerWaalsContact O-N 3.17Å; L876-S879 PolarHBondContact O-OG 2.78Å; L876-I880 HydrophobicContact CD1-CD1 4.21Å; L876-I880 HydrophobicContact CD1-CG1 4.46Å; L876-I880 HydrophobicContact CG-CD1 4.04Å; L876-I880 WeakPolarHBondContact O-CG1 3.43Å; L876-I880 PolarHBondContact O-N 3.48Å
877L83.6Confident75.3Confident0 Ų037.1 Ų37.10%019%0.19CC..Hα-helixtrans-67.5-37.4-179.2-171.658.9000113.2A858 I861 I865 I872 Q875 S879 I880 D881A858-L877 HydrophobicContact CB-CD1 4.29Å; I861-L877 HydrophobicContact CD1-CB 3.97Å; I861-L877 HydrophobicContact CD1-CD1 3.98Å; I861-L877 HydrophobicContact CD1-CG 4.45Å; I861-L877 HydrophobicContact CG1-CB 4.25Å; I861-L877 HydrophobicContact CG1-CD1 3.82Å; I861-L877 HydrophobicContact CG1-CD2 4.23Å; I861-L877 HydrophobicContact CG1-CG 4.32Å; I865-L877 HydrophobicContact CD1-CD2 3.37Å; I865-L877 HydrophobicContact CG1-CD2 3.53Å; I872-L877 PolarHBondContact O-N 2.95Å; I872-L877 VanDerWaalsContact O-N 3.12Å; Q875-L877 PolarHBondContact O-N 3.44Å; L877-S879 VanDerWaalsContact C-N 3.3Å; L877-S879 PolarHBondContact O-N 3.09Å; L877-I880 HydrophobicContact CD1-CB 4.34Å; L877-I880 HydrophobicContact CD1-CD1 4.45Å; L877-I880 PolarHBondContact O-N 3.04Å; L877-D881 WeakPolarHBondContact O-CB 3.11Å; L877-D881 PolarHBondContact O-N 2.77Å
878N80.3Confident76Confident16 Ų1634.5 Ų34.59%0.08617%0.173CC..Hα-helixtrans-60.6-41.1171.6-66.7-12.7000110.7R874 Q875 I880 D881 C882 I1908 I1909R874-N878 WeakPolarHBondContact O-CB 3.31Å; R874-N878 PolarHBondContact O-N 2.9Å; R874-N878 PolarHBondContact O-ND2 3.4Å; R874-N878 VanDerWaalsContact O-ND2 3.09Å; R874-N878 PolarHBondContact O-OD1 3.48Å; Q875-N878 PolarHBondContact O-N 3.49Å; N878-I880 VanDerWaalsContact C-N 3.34Å; N878-I880 PolarHBondContact O-N 2.76Å; N878-D881 PolarHBondContact O-N 2.78Å; N878-C882 VanDerWaalsContact O-CB 3.26Å; N878-C882 WeakPolarHBondContact O-CB 3.36Å; N878-C882 PolarHBondContact O-N 3.25Å; N878-C882 PolarHBondContact O-SG 3.38Å; N878-I1908 VanDerWaalsContact CG-O 3.3Å; N878-I1908 PolarHBondContact ND2-O 3.08Å; N878-I1908 PolarHBondContact OD1-O 2.99Å; N878-I1909 WeakPolarHBondContact ND2-CG1 3.49Å
879S78.7Confident76.6Confident27 Ų2726.9 Ų26.919%0.18913%0.133CC..Hα-helixtrans-63.7-38.3176.376.90000112.3Y797 Q875 L876 L877 D883Y797-S879 WeakPolarHBondContact CB-OG 3.29Å; Y797-S879 PolarHBondContact N-OG 3.44Å; Q875-S879 PolarHBondContact O-N 2.85Å; L876-S879 PolarHBondContact O-N 3.26Å; L876-S879 VanDerWaalsContact O-N 3.17Å; L876-S879 PolarHBondContact O-OG 2.78Å; L877-S879 VanDerWaalsContact C-N 3.3Å; L877-S879 PolarHBondContact O-N 3.09Å; S879-D883 WeakPolarHBondContact O-CB 3.24Å; S879-D883 PolarHBondContact O-N 3.36Å
880I82.8Confident76.9Confident0 Ų023.5 Ų23.50%012%0.12CC..Hα-helixtrans-64.4-49.1173.4-66.8166.1000110.7Y797 N854 L857 A858 I861 L876 L877 N878 C882 S884 L891Y797-I880 HydrophobicContact CD2-CG1 3.66Å; Y797-I880 HydrophobicContact CE2-CG1 4.45Å; Y797-I880 HydrophobicContact CG-CG1 3.91Å; N854-I880 HydrophobicContact CB-CG2 3.84Å; L857-I880 HydrophobicContact CB-CD1 3.84Å; L857-I880 HydrophobicContact CD1-CD1 4.11Å; A858-I880 HydrophobicContact CB-CG2 4.03Å; I861-I880 HydrophobicContact CD1-CD1 3.94Å; L876-I880 HydrophobicContact CD1-CD1 4.21Å; L876-I880 HydrophobicContact CD1-CG1 4.46Å; L876-I880 HydrophobicContact CG-CD1 4.04Å; L876-I880 WeakPolarHBondContact O-CG1 3.43Å; L876-I880 PolarHBondContact O-N 3.48Å; L877-I880 HydrophobicContact CD1-CB 4.34Å; L877-I880 HydrophobicContact CD1-CD1 4.45Å; L877-I880 PolarHBondContact O-N 3.04Å; N878-I880 VanDerWaalsContact C-N 3.34Å; N878-I880 PolarHBondContact O-N 2.76Å; I880-C882 VanDerWaalsContact C-N 3.3Å; I880-C882 PolarHBondContact O-N 3.08Å; I880-S884 WeakPolarHBondContact O-CB 3.45Å; I880-S884 PolarHBondContact O-N 3.45Å; I880-S884 VanDerWaalsContact O-N 3.15Å; I880-S884 PolarHBondContact O-OG 2.96Å; I880-L891 HydrophobicContact CG2-CD2 4.03Å
881D79Confident77.2Confident1 Ų121.4 Ų21.41%0.00510%0.102CC..Hα-helixtrans-70.8-25-175.6-73.9-10.2000112.6L877 N878 L891 R1900 R1916 L1920L877-D881 WeakPolarHBondContact O-CB 3.11Å; L877-D881 PolarHBondContact O-N 2.77Å; N878-D881 PolarHBondContact O-N 2.78Å; D881-L891 HydrophobicContact CB-CD1 4.48Å; D881-R1900 PolarHBondContact O-NH1 3.09Å; D881-R1916 IonicContact OD1-CZ 2.79Å; D881-R1916 IonicContact OD1-NE 3.45Å; D881-R1916 IonicContact OD1-NH2 3.92Å; D881-R1916 PolarHBondContact OD1-NH2 3.09Å; D881-R1916 WeakPolarHBondContact OD2-CG 3.39Å; D881-R1916 IonicContact OD2-CZ 2.68Å; D881-R1916 IonicContact OD2-NE 3.62Å; D881-R1916 PolarHBondContact OD2-NE 3.23Å; D881-R1916 IonicContact OD2-NH2 3.78Å; D881-R1916 PolarHBondContact OD2-NH2 3.4Å; D881-L1920 HydrophobicContact CB-CD2 4.11Å
882C71.9Confident77.2Confident19 Ų1919.6 Ų19.613%0.12810%0.096CC..Hα-helixtrans-82.3-57.6172.6-78.20000113.3N878 I880 N885N878-C882 VanDerWaalsContact O-CB 3.26Å; N878-C882 WeakPolarHBondContact O-CB 3.36Å; N878-C882 PolarHBondContact O-N 3.25Å; N878-C882 PolarHBondContact O-SG 3.38Å; I880-C882 VanDerWaalsContact C-N 3.3Å; I880-C882 PolarHBondContact O-N 3.08Å; C882-N885 PolarHBondContact O-OD1 3.09Å
883D66.3Low76.7Confident44 Ų4419.6 Ų19.624%0.23510%0.096CC..Hα-helixtrans-97.9-21.5-163-69.6-72.7000114.8S879 N885 K886S879-D883 WeakPolarHBondContact O-CB 3.24Å; S879-D883 PolarHBondContact O-N 3.36Å; D883-N885 PolarHBondContact O-N 3.36Å; D883-N885 VanDerWaalsContact O-N 3.11Å; D883-N885 PolarHBondContact O-OD1 3.49Å; D883-K886 HydrophobicContact CB-CD 4.38Å; D883-K886 VanDerWaalsContact O-CB 3.25Å; D883-K886 WeakPolarHBondContact O-CB 3.32Å; D883-K886 WeakPolarHBondContact O-CD 3.44Å; D883-K886 VanDerWaalsContact O-CG 3.22Å; D883-K886 WeakPolarHBondContact O-CG 3.43Å; D883-K886 PolarHBondContact O-N 3.01Å; D883-K886 WeakPolarHBondContact OD1-CE 3.34Å; D883-K886 IonicContact OD1-NZ 3.19Å; D883-K886 PolarHBondContact OD1-NZ 2.89Å
884S68.5Low76.4Confident1 Ų120.2 Ų20.21%0.00710%0.098CC..G310 helixtrans-69.4-14.2-172.674.50000114.9Y797 N854 I880 K886 V887 N888Y797-S884 WeakPolarHBondContact OH-CB 3.37Å; N854-S884 WeakPolarHBondContact CB-OG 3.34Å; N854-S884 VanDerWaalsContact ND2-CB 3.26Å; N854-S884 WeakPolarHBondContact ND2-CB 3.39Å; N854-S884 PolarHBondContact ND2-OG 2.88Å; I880-S884 WeakPolarHBondContact O-CB 3.45Å; I880-S884 PolarHBondContact O-N 3.45Å; I880-S884 VanDerWaalsContact O-N 3.15Å; I880-S884 PolarHBondContact O-OG 2.96Å; S884-K886 PolarHBondContact O-N 3.19Å; S884-K886 VanDerWaalsContact O-N 3.12Å; S884-V887 PolarHBondContact O-N 3.29Å; S884-N888 PolarHBondContact O-N 3.14Å
885N68.6Low75.5Confident11 Ų1116.3 Ų16.36%0.0599%0.09CC..G310 helixtrans-59.2-18.7169.3662000113.4C882 D883 V887 R1900 K1901 Q1902C882-N885 PolarHBondContact O-OD1 3.09Å; D883-N885 PolarHBondContact O-N 3.36Å; D883-N885 VanDerWaalsContact O-N 3.11Å; D883-N885 PolarHBondContact O-OD1 3.49Å; N885-V887 VanDerWaalsContact C-N 3.29Å; N885-R1900 HydrophobicContact CB-CB 4.22Å; N885-K1901 PolarHBondContact ND2-O 2.82Å; N885-Q1902 PolarHBondContact O-NE2 2.99Å
886K67.4Low74.4Confident68 Ų6816.7 Ų16.730%0.2969%0.093SC..G310 helixtrans-67.2-30.2170.7-64.5165.9178.1168.10111.9M739 K762 D883 S884M739-K886 HydrophobicContact CE-CD 4.19Å; K762-K886 PolarHBondContact NZ-O 3.01Å; D883-K886 HydrophobicContact CB-CD 4.38Å; D883-K886 VanDerWaalsContact O-CB 3.25Å; D883-K886 WeakPolarHBondContact O-CB 3.32Å; D883-K886 WeakPolarHBondContact O-CD 3.44Å; D883-K886 VanDerWaalsContact O-CG 3.22Å; D883-K886 WeakPolarHBondContact O-CG 3.43Å; D883-K886 PolarHBondContact O-N 3.01Å; D883-K886 WeakPolarHBondContact OD1-CE 3.34Å; D883-K886 IonicContact OD1-NZ 3.19Å; D883-K886 PolarHBondContact OD1-NZ 2.89Å; S884-K886 PolarHBondContact O-N 3.19Å; S884-K886 VanDerWaalsContact O-N 3.12Å
887V69.8Low72.8Confident21 Ų2117 Ų1713%0.12710%0.095CC..THydrogen-bonded Turntrans-106.3-45.7-170.2174.80000112Y764 L801 T851 S884 N885Y764-V887 HydrophobicContact CE1-CG2 4.33Å; L801-V887 HydrophobicContact CD2-CB 4.29Å; L801-V887 HydrophobicContact CD2-CG1 3.81Å; L801-V887 HydrophobicContact CD2-CG2 3.76Å; T851-V887 HydrophobicContact CG2-CG1 3.85Å; S884-V887 PolarHBondContact O-N 3.29Å; N885-V887 VanDerWaalsContact C-N 3.29Å
888N80.2Confident71Confident4 Ų423.9 Ų23.92%0.02112%0.122CC..  trans-156.7115.5-173.3-178.1-2.4000109.1T851 N854 S884 L890 G1850 R1851T851-N888 PolarHBondContact O-ND2 3.28Å; N854-N888 PolarHBondContact ND2-O 3.21Å; N854-N888 WeakPolarHBondContact OD1-CB 3.39Å; N854-N888 PolarHBondContact OD1-ND2 3.21Å; S884-N888 PolarHBondContact O-N 3.14Å; N888-L890 PolarHBondContact O-N 2.88Å; N888-L890 PolarHBondContact OD1-N 3.25Å; N888-G1850 VanDerWaalsContact OD1-CA 3.32Å; N888-G1850 WeakPolarHBondContact OD1-CA 3.22Å; N888-R1851 PolarHBondContact ND2-O 3.17Å; N888-R1851 PolarHBondContact OD1-N 3.05Å; N888-R1851 VanDerWaalsContact OD1-N 3.08Å; N888-R1851 PolarHBondContact OD1-O 2.87Å
889C78.7Confident69.5Low4 Ų423.9 Ų23.93%0.02712%0.122CC..  trans-74.8-5.8-17164.60000115.8I1849 I1899 R1900C889-I1849 HydrophobicContact CB-CG2 3.79Å; C889-I1849 PolarHBondContact N-O 2.95Å; C889-I1849 VanDerWaalsContact N-O 3.14Å; C889-I1849 VanDerWaalsContact SG-C 3.59Å; C889-I1899 HydrophobicContact CB-CG2 4.49Å; C889-R1900 WeakPolarHBondContact CB-O 3.36Å; C889-R1900 PolarHBondContact O-N 3.04Å
890L84.8Confident68.1Low0 Ų026.6 Ų26.60%014%0.139CC..EExtended strand (participates in β ladder)trans-81.6131.5176.4-73.4162.3000110.6N854 V855 N888 L1834 I1836 R1851 A1852 I1884 F1897N854-L890 PolarHBondContact ND2-O 3.14Å; V855-L890 HydrophobicContact CG2-CB 3.82Å; V855-L890 WeakPolarHBondContact CG2-O 3.23Å; N888-L890 PolarHBondContact O-N 2.88Å; N888-L890 PolarHBondContact OD1-N 3.25Å; L890-L1834 HydrophobicContact CD1-CD2 4Å; L890-L1834 HydrophobicContact CD1-CG 4.22Å; L890-L1834 HydrophobicContact CD2-CD2 3.7Å; L890-I1836 HydrophobicContact CD1-CD1 4.48Å; L890-I1836 HydrophobicContact CD2-CD1 3.52Å; L890-I1836 HydrophobicContact CD2-CG1 4.24Å; L890-I1836 HydrophobicContact CG-CD1 3.83Å; L890-I1836 HydrophobicContact CG-CG1 4.43Å; L890-R1851 VanDerWaalsContact CD1-C 3.49Å; L890-A1852 HydrophobicContact CD1-CB 3.8Å; L890-I1884 HydrophobicContact CD2-CD1 4.12Å; L890-F1897 HydrophobicContact CB-CD1 4.43Å; L890-F1897 HydrophobicContact CD2-CB 3.61Å; L890-F1897 HydrophobicContact CD2-CD1 4.26Å; L890-F1897 HydrophobicContact CD2-CG 3.98Å
891L81.6Confident66.1Low2 Ų228.8 Ų28.81%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-127.2124163-73.5173000109.9A858 I880 D881 F1897 T1898 R1900 L1920A858-L891 HydrophobicContact CB-CD2 4.03Å; I880-L891 HydrophobicContact CG2-CD2 4.03Å; D881-L891 HydrophobicContact CB-CD1 4.48Å; L891-F1897 CarbonylContact O-C 3.55Å; L891-F1897 WeakPolarHBondContact O-CA 3.38Å; L891-T1898 PolarHBondContact N-O 2.92Å; L891-T1898 PolarHBondContact O-N 2.89Å; L891-T1898 PolarHBondContact O-OG1 3.45Å; L891-R1900 HydrophobicContact CD1-CG 4.08Å; L891-L1920 HydrophobicContact CB-CD1 4.06Å; L891-L1920 HydrophobicContact CD1-CD1 4.13Å; L891-L1920 HydrophobicContact CD1-CD2 3.75Å
892P81.4Confident64.1Low9 Ų937.3 Ų37.36%0.05820%0.198CC..EExtended strand (participates in β ladder)trans-72.6140.7169.831.7-34.8000110.7V855 A858 L1896 F1897 R1916V855-P892 HydrophobicContact CG1-CG 4.25Å; V855-P892 VanDerWaalsContact O-CG 3.24Å; V855-P892 WeakPolarHBondContact O-CG 3.27Å; A858-P892 HydrophobicContact CB-CG 4.18Å; P892-L1896 WeakPolarHBondContact CA-O 3.16Å; P892-F1897 HydrophobicContact CB-CD1 4.07Å; P892-F1897 HydrophobicContact CB-CE1 4.18Å; P892-R1916 PolarHBondContact O-NH1 2.9Å
893L73.5Confident62.4Low0 Ų045.3 Ų45.30%023%0.234CC..SBendtrans-73.5-41-179.4-70.9177000112.2L975 L1883 L1896 T1898 R1916 I1917 L1920 L1921L893-L975 HydrophobicContact CB-CD1 3.98Å; L893-L975 HydrophobicContact CD1-CD1 4.4Å; L893-L1883 HydrophobicContact CD1-CD1 3.67Å; L893-L1896 PolarHBondContact N-O 3.1Å; L893-T1898 HydrophobicContact CD1-CG2 4.17Å; L893-T1898 HydrophobicContact CD2-CG2 3.74Å; L893-T1898 HydrophobicContact CG-CG2 4Å; L893-R1916 PolarHBondContact O-NH1 3.33Å; L893-I1917 HydrophobicContact CB-CG1 4.46Å; L893-I1917 HydrophobicContact CD2-CG2 4.48Å; L893-L1920 HydrophobicContact CD2-CB 3.64Å; L893-L1920 HydrophobicContact CD2-CD1 4.24Å; L893-L1921 HydrophobicContact CD1-CD2 3.98Å; L893-L1921 HydrophobicContact CD1-CG 4.37Å
894L66.7Low61.1Low16 Ų1646.1 Ų46.18%0.08424%0.242CC..SBendtrans-147.1166.7179.4-94.1166.5000109.6H863 I896 S974 L975 T976 V1913 I1917H863-L894 HydrophobicContact CB-CD2 4.18Å; L894-I896 PolarHBondContact O-N 2.94Å; L894-S974 WeakPolarHBondContact CD1-O 3.26Å; L894-L975 HydrophobicContact CB-CB 4.44Å; L894-L975 HydrophobicContact CB-CD1 4.31Å; L894-L975 HydrophobicContact CD1-CB 3.72Å; L894-L975 HydrophobicContact CD1-CD1 4.44Å; L894-T976 HydrophobicContact CD1-CG2 4.25Å; L894-V1913 HydrophobicContact CD1-CG1 4.39Å; L894-V1913 HydrophobicContact CD2-CG1 3.84Å; L894-V1913 HydrophobicContact CG-CG1 4.32Å; L894-I1917 HydrophobicContact CD1-CD1 3.57Å; L894-I1917 HydrophobicContact CG-CD1 3.99Å
895P56.3Low59.8Low48 Ų4854.6 Ų54.631%0.31228%0.281SS..SBendtrans-60.7-49.4-169.4-12.114000114.6G859G859-P895 WeakPolarHBondContact O-CA 3.41Å; G859-P895 VanDerWaalsContact O-CB 3.27Å; G859-P895 WeakPolarHBondContact O-CB 3.41Å; G859-P895 VanDerWaalsContact O-CD 3.26Å; G859-P895 WeakPolarHBondContact O-CD 3.26Å; G859-P895 WeakPolarHBondContact O-CG 3.19Å
896I57.6Low58.1Low59 Ų5961 Ų6130%0.30331%0.314SS..  trans-163.1156.2-161.6-94.8138.3000109.8L894 Y898 I1857L894-I896 PolarHBondContact O-N 2.94Å; I896-Y898 HydrophobicContact CG2-CD1 4.15Å; I896-Y898 HydrophobicContact CG2-CD2 3.85Å; I896-Y898 HydrophobicContact CG2-CE1 4.08Å; I896-Y898 HydrophobicContact CG2-CE2 3.74Å; I896-Y898 HydrophobicContact CG2-CG 4.04Å; I896-I1857 HydrophobicContact CB-CD1 4.33Å; I896-I1857 HydrophobicContact CD1-CD1 3.88Å; I896-I1857 HydrophobicContact CD1-CG1 3.78Å; I896-I1857 HydrophobicContact CG1-CD1 3.79Å; I896-I1857 HydrophobicContact CG1-CG1 3.98Å; I896-I1857 HydrophobicContact CG2-CD1 3.54Å
897C52.2Low57.1Low6 Ų661.6 Ų61.64%0.04132%0.32CS..BIsolated β-bridgetrans-132.9114.2164-60.40000109.2W970 F1894C897-W970 HydrophobicContact CB-CD2 4.3Å; C897-W970 HydrophobicContact CB-CE3 3.82Å; C897-W970 HydrophobicContact CB-CH2 3.81Å; C897-W970 HydrophobicContact CB-CZ2 4.25Å; C897-W970 HydrophobicContact CB-CZ3 3.56Å; C897-F1894 HydrophobicContact CB-CD2 4.22Å; C897-F1894 HydrophobicContact CB-CE1 3.86Å; C897-F1894 HydrophobicContact CB-CE2 3.37Å; C897-F1894 HydrophobicContact CB-CZ 3.17Å
898Y45.4Very low55.6Low146 Ų14664.4 Ų64.457%0.57334%0.335SS*.  trans-79134.4-170.7-66.8-84.6000115.2I896 W970 I1857I896-Y898 HydrophobicContact CG2-CD1 4.15Å; I896-Y898 HydrophobicContact CG2-CD2 3.85Å; I896-Y898 HydrophobicContact CG2-CE1 4.08Å; I896-Y898 HydrophobicContact CG2-CE2 3.74Å; I896-Y898 HydrophobicContact CG2-CG 4.04Å; Y898-W970 VanDerWaalsContact N-CH2 3.34Å; Y898-W970 WeakPolarHBondContact O-CH2 3.22Å; Y898-W970 WeakPolarHBondContact O-CZ2 3.37Å; Y898-I1857 HydrophobicContact CD1-CD1 3.72Å; Y898-I1857 HydrophobicContact CE1-CD1 3.52Å
899T48.5Very low54Low15 Ų1565.4 Ų65.49%0.09234%0.341CS..SBendtrans-138.7131.3160.939.30000111.3N968 W970 K1892T899-N968 HydrophobicContact CG2-CB 4.01Å; T899-N968 WeakPolarHBondContact CG2-ND2 3.4Å; T899-W970 HydrophobicContact CG2-CZ2 3.95Å; T899-K1892 PolarHBondContact OG1-O 2.77Å
900P49Very low52Low84 Ų8474.7 Ų74.755%0.54538%0.381SS..SBendcis-80.6162-7.635.8-35.2000112.7
901P41.7Very low50.1Low47 Ų4779.1 Ų79.131%0.30540%0.398SS..  trans-67.6158.5170.729.7-35.8000112.3Q903 S980P901-Q903 PolarHBondContact O-N 3.11Å; P901-Q903 VanDerWaalsContact O-N 3.09Å; P901-S980 WeakPolarHBondContact CD-OG 3.46Å; P901-S980 WeakPolarHBondContact CG-OG 3.11Å
902L36.2Very low47.8Very low180 Ų18087 Ų8794%0.94243%0.432SS*.SBendtrans-55.9111.6170.3-77.8160.2000110
903Q35.2Very low45.7Very low187 Ų18790.2 Ų90.287%0.87445%0.449SS*.SBendtrans56.189.6-170.8-64.1-176.4-15.500113.4P901P901-Q903 PolarHBondContact O-N 3.11Å; P901-Q903 VanDerWaalsContact O-N 3.09Å
904P40Very low43.7Very low61 Ų6196.5 Ų96.540%0.39648%0.483SS..  trans-62.8141.9162.429.4-34.5000109.7L906P904-L906 PolarHBondContact O-N 3.28Å; P904-L906 VanDerWaalsContact O-N 3.13Å
905E40.5Very low42.2Very low179 Ų179103.7 Ų103.784%0.83652%0.516SS*.  trans-63.4115.4168.7-66.7-173138.800108.6L907E905-L907 PolarHBondContact O-N 3.47Å
906L34.4Very low40.8Very low144 Ų144107.6 Ų107.675%0.75454%0.539SS*.  trans-75.969.9-170.6-85.7163.4000112.4P904 N908P904-L906 PolarHBondContact O-N 3.28Å; P904-L906 VanDerWaalsContact O-N 3.13Å; L906-N908 PolarHBondContact O-N 2.86Å
907L46.6Very low39.5Very low82 Ų82107.9 Ų107.943%0.42956%0.557SS.*  trans-79.568.5174.3-137.6171000109.7E905 V909 E1026E905-L907 PolarHBondContact O-N 3.47Å; L907-V909 PolarHBondContact O-N 3.46Å; L907-E1026 WeakPolarHBondContact CD1-O 3.11Å
908N38Very low38.3Very low79 Ų79117.5 Ų117.542%0.42260%0.598SS.*  trans-62.4101.2-179.8-79.840.9000111L906 K910L906-N908 PolarHBondContact O-N 2.86Å; N908-K910 PolarHBondContact O-N 2.84Å
909V46.4Very low37.3Very low26 Ų26116.2 Ų116.216%0.15861%0.609CS.*  trans-68.4116.5179.8176.20000109.9L907 Y911 S982 G1028L907-V909 PolarHBondContact O-N 3.46Å; V909-Y911 PolarHBondContact O-N 3.32Å; V909-S982 WeakPolarHBondContact CG2-O 3.34Å; V909-G1028 WeakPolarHBondContact CG2-O 3.34Å
910K36.9Very low36.3Very low198 Ų198120 Ų12086%0.86164%0.636SS**  trans-75.859.8178.6-63.7175.3-178.5170.60111.3N908 K912N908-K910 PolarHBondContact O-N 2.84Å; K910-K912 PolarHBondContact O-N 3.48Å
911Y45.1Very low35.9Very low93 Ų93122.8 Ų122.837%0.36565%0.646SS.*  trans-72.573.6163.2-163.5-95.2000109.2V909 N913 E985 W986V909-Y911 PolarHBondContact O-N 3.32Å; Y911-N913 HydrophobicContact CD1-CB 4.17Å; Y911-N913 HydrophobicContact CE1-CB 3.7Å; Y911-N913 WeakPolarHBondContact CE1-OD1 3.43Å; Y911-N913 PolarHBondContact O-N 3.19Å; Y911-N913 VanDerWaalsContact O-N 3.09Å; Y911-N913 PolarHBondContact OH-OD1 2.89Å; Y911-N913 VanDerWaalsContact OH-OD1 3.13Å; Y911-E985 WeakPolarHBondContact CD1-O 3.01Å; Y911-W986 HydrophobicContact CD2-CZ2 4.42Å; Y911-W986 HydrophobicContact CE2-CH2 4.49Å
912K31.9Very low35.3Very low167 Ų167128.4 Ų128.473%0.72667%0.671SS**  trans-70.399.2162.8-79.8-164.2171.2-165.80107.2K910 N914K910-K912 PolarHBondContact O-N 3.48Å; K912-N914 VanDerWaalsContact C-N 3.29Å; K912-N914 PolarHBondContact O-N 2.78Å
913N38.2Very low34.8Very low77 Ų77125.5 Ų125.541%0.41266%0.657SS.*  trans-67.293.8167-153.639.1000107.7Y911 E915Y911-N913 HydrophobicContact CD1-CB 4.17Å; Y911-N913 HydrophobicContact CE1-CB 3.7Å; Y911-N913 WeakPolarHBondContact CE1-OD1 3.43Å; Y911-N913 PolarHBondContact O-N 3.19Å; Y911-N913 VanDerWaalsContact O-N 3.09Å; Y911-N913 PolarHBondContact OH-OD1 2.89Å; Y911-N913 VanDerWaalsContact OH-OD1 3.13Å; N913-E915 PolarHBondContact O-N 3.33Å
914N31Very low34.8Very low132 Ų132123.2 Ų123.271%0.70665%0.651SS**  trans-75.4-0.7-172.7-83-12000113.4K912 T916K912-N914 VanDerWaalsContact C-N 3.29Å; K912-N914 PolarHBondContact O-N 2.78Å; N914-T916 PolarHBondContact O-N 2.66Å
915E34.8Very low34.5Very low167 Ų167126.1 Ų126.178%0.7867%0.667SS**  trans-72.875162.8-68.8-173.1169.300109.9N913 G917N913-E915 PolarHBondContact O-N 3.33Å; E915-G917 PolarHBondContact O-N 3.48Å
916T26.9Very low34.1Very low131 Ų131126.3 Ų126.380%0.80467%0.665SS**  trans-73.157.515856.10000109.4N914N914-T916 PolarHBondContact O-N 2.66Å
917G30.6Very low34.1Very low65 Ų65127.4 Ų127.467%0.6766%0.664SS**  trans-69.2144.1166.600000109.6E915E915-G917 PolarHBondContact O-N 3.48Å
918F26Very low33.6Very low207 Ų207130.1 Ų130.191%0.90867%0.674SS**  trans-59.1159.6-170.4-89.2-115000114.4
919C25.3Very low33.5Very low119 Ų119133.8 Ų133.880%0.80469%0.689SS**  trans-36.3155.3158.9-51.90000112.7
920S27.4Very low33.6Very low94 Ų94137 Ų13766%0.65770%0.703SS**  cis-170.4162.845.557.70000114.8
921L40.1Very low34.2Very low144 Ų144131.4 Ų131.475%0.75468%0.679SS**  trans49.868.4144.1-72163.5000116.8
922I30.4Very low34.6Very low164 Ų164127.2 Ų127.284%0.84166%0.663SS**  trans-118.190.2142.8-59.1-176.4000107.3
923N25.6Very low36Very low120 Ų120119.7 Ų119.764%0.64263%0.63SS**  trans-71.6140.4166.2-74.76.7000109.4
924D34.1Very low36.9Very low138 Ų138116.8 Ų116.874%0.73862%0.615SS**  trans62.2171.8153.2-57.5-44.9000119.6
925V33.7Very low38.4Very low123 Ų123111.3 Ų111.375%0.74559%0.586SS**  trans60.258.9167.9-156.60000116.2
926K32.8Very low39.6Very low183 Ų183104.6 Ų104.680%0.79656%0.555SS**  176.2113.2113.7-89145.5-166.8170.80111.9Q928K926-Q928 PolarHBondContact O-N 3.38Å
927K35.2Very low41.1Very low167 Ų16798.9 Ų98.973%0.72652%0.521SS*.PPolyproline II helixtrans-58.5117.3165.4-65.9179.3-176.7-178.40108.8E1869K927-E1869 IonicContact NZ-OE1 3.51Å; K927-E1869 PolarHBondContact NZ-OE1 2.75Å; K927-E1869 IonicContact NZ-OE2 2.62Å
928Q35.6Very low42.3Very low139 Ų139100.2 Ų100.265%0.6552%0.52SS*.PPolyproline II helixtrans-97.3126.9163.7-68.3-168.8700109K926 M930 N1011K926-Q928 PolarHBondContact O-N 3.38Å; Q928-M930 PolarHBondContact O-N 2.9Å; Q928-N1011 PolarHBondContact OE1-ND2 2.83Å
929E36.4Very low43.4Very low156 Ų15692.9 Ų92.973%0.72949%0.49SS*.PPolyproline II helixtrans-67.1117-178.4-63.4176.5163.300111.2K931E929-K931 PolarHBondContact O-N 3.35Å
930M48.3Very low45.1Very low93 Ų9389.1 Ų89.146%0.45847%0.465SS..PPolyproline II helixtrans-72.9116.2174.8-72.3-177.7165.600110.2Q928 W948 N963Q928-M930 PolarHBondContact O-N 2.9Å; M930-W948 HydrophobicContact CB-CD2 4.1Å; M930-W948 HydrophobicContact CB-CE3 4.36Å; M930-W948 HydrophobicContact CB-CH2 4.44Å; M930-W948 HydrophobicContact CB-CZ2 4.14Å; M930-W948 HydrophobicContact CG-CE3 4.48Å; M930-W948 HydrophobicContact CG-CZ3 4.45Å; M930-W948 HydrophobicContact SD-CD2 4.34Å; M930-W948 HydrophobicContact SD-CE3 3.81Å; M930-W948 HydrophobicContact SD-CZ3 4.04Å; M930-N963 PolarHBondContact SD-ND2 3.37Å; M930-N963 VanDerWaalsContact SD-ND2 3.36Å
931K48.8Very low46.6Very low80 Ų8089.2 Ų89.235%0.34845%0.451SS..PPolyproline II helixtrans-90.8117.9-169.8-79.8-177.7178.5-178.30112.6E929E929-K931 PolarHBondContact O-N 3.35Å
932E53.8Low47.8Very low6 Ų684 Ų843%0.02842%0.422CS..PPolyproline II helixtrans-76.9144.6171.3-70.8-155.4169.900112.4L946 T947 K1874 K1887 D1889 K1892E932-L946 WeakPolarHBondContact CB-O 3.33Å; E932-L946 WeakPolarHBondContact CG-O 3.47Å; E932-T947 WeakPolarHBondContact OE1-CA 3.28Å; E932-T947 WeakPolarHBondContact OE1-CB 3.29Å; E932-T947 WeakPolarHBondContact OE2-CG2 3.37Å; E932-K1874 WeakPolarHBondContact O-CD 3.39Å; E932-K1874 WeakPolarHBondContact O-CE 3.21Å; E932-K1874 PolarHBondContact O-NZ 3.44Å; E932-K1887 HydrophobicContact CB-CD 4.46Å; E932-K1887 VanDerWaalsContact CB-CE 3.43Å; E932-K1887 WeakPolarHBondContact OE2-CE 3.19Å; E932-K1887 IonicContact OE2-NZ 3.57Å; E932-K1887 PolarHBondContact OE2-NZ 3.12Å; E932-D1889 HydrophobicContact CB-CB 4.29Å; E932-K1892 WeakPolarHBondContact OE1-CE 3.22Å
933I60.1Low49.5Very low8 Ų876.2 Ų76.24%0.04138%0.382CS..PPolyproline II helixtrans-103.4152.7-178.9-65.5178.3000111T935 T945 L946 F991 A994 L1006 K1887I933-T935 HydrophobicContact CG2-CG2 4.15Å; I933-T945 CarbonylContact O-C 3.56Å; I933-T945 VanDerWaalsContact O-CA 3.28Å; I933-T945 WeakPolarHBondContact O-CA 3.42Å; I933-L946 HydrophobicContact CB-CB 3.93Å; I933-L946 HydrophobicContact CB-CD2 4.25Å; I933-L946 HydrophobicContact CD1-CD2 4.03Å; I933-L946 HydrophobicContact CG1-CD2 3.98Å; I933-L946 PolarHBondContact O-N 2.84Å; I933-F991 HydrophobicContact CD1-CB 3.59Å; I933-A994 HydrophobicContact CG2-CB 4.05Å; I933-L1006 HydrophobicContact CD1-CD2 4.19Å; I933-K1887 PolarHBondContact O-NZ 3.13Å
934I59.1Low51.3Low17 Ų1770.8 Ų70.89%0.08735%0.353CS..EExtended strand (participates in β ladder)trans-136.8138.8159.8-109.8178000110.4L943 F944 T945 Q1876 I1885 K1887 F1894I934-L943 HydrophobicContact CD1-CD1 4.48Å; I934-L943 HydrophobicContact CG1-CD1 4.21Å; I934-L943 HydrophobicContact CG2-CD1 4.02Å; I934-F944 CarbonylContact C-O 3.47Å; I934-F944 WeakPolarHBondContact CA-O 3.45Å; I934-F944 VanDerWaalsContact CG1-O 3.26Å; I934-F944 WeakPolarHBondContact CG1-O 3.22Å; I934-T945 HydrophobicContact CD1-CG2 3.91Å; I934-T945 HydrophobicContact CG1-CG2 3.65Å; I934-Q1876 HydrophobicContact CG2-CB 4.34Å; I934-I1885 HydrophobicContact CD1-CG2 4.25Å; I934-I1885 HydrophobicContact CG2-CG2 4.28Å; I934-K1887 HydrophobicContact CB-CD 4.08Å; I934-K1887 HydrophobicContact CD1-CB 3.92Å; I934-K1887 HydrophobicContact CD1-CD 3.78Å; I934-K1887 HydrophobicContact CD1-CG 3.83Å; I934-K1887 HydrophobicContact CG1-CD 3.88Å; I934-K1887 HydrophobicContact CG1-CG 4.48Å; I934-F1894 HydrophobicContact CD1-CB 3.45Å; I934-F1894 VanDerWaalsContact CD1-CB 3.45Å; I934-F1894 HydrophobicContact CD1-CD1 3.87Å; I934-F1894 HydrophobicContact CD1-CD2 4.25Å; I934-F1894 HydrophobicContact CD1-CG 3.57Å
935T61.9Low52.8Low17 Ų1764.3 Ų64.310%0.10432%0.319CS..EExtended strand (participates in β ladder)trans-147.6130.9173.555.10000115.4I933 L943 F944 A994I933-T935 HydrophobicContact CG2-CG2 4.15Å; T935-L943 CarbonylContact O-C 3.49Å; T935-L943 WeakPolarHBondContact O-CA 3.33Å; T935-F944 PolarHBondContact N-O 3.26Å; T935-F944 PolarHBondContact O-N 3.42Å; T935-A994 WeakPolarHBondContact CB-O 3.26Å; T935-A994 HydrophobicContact CG2-CB 3.68Å; T935-A994 VanDerWaalsContact CG2-O 3.29Å; T935-A994 WeakPolarHBondContact CG2-O 3.4Å; T935-A994 VanDerWaalsContact OG1-CB 3.24Å; T935-A994 WeakPolarHBondContact OG1-CB 3.48Å; T935-A994 PolarHBondContact OG1-O 2.75Å
936I59.5Low54.3Low25 Ų2558.6 Ų58.613%0.12828%0.284CS..EExtended strand (participates in β ladder)trans-78.5144.5167.1-54.4158.8000111.2F942 L943 Q1876 I1885I936-F942 CarbonylContact C-O 3.53Å; I936-F942 WeakPolarHBondContact CA-O 3.32Å; I936-L943 HydrophobicContact CG1-CD1 4.39Å; I936-Q1876 HydrophobicContact CD1-CB 4.49Å; I936-Q1876 HydrophobicContact CD1-CG 4.04Å; I936-Q1876 HydrophobicContact CG1-CG 4.49Å; I936-I1885 HydrophobicContact CD1-CD1 3.64Å; I936-I1885 HydrophobicContact CD1-CG1 3.97Å; I936-I1885 HydrophobicContact CG1-CD1 3.4Å; I936-I1885 HydrophobicContact CG1-CG1 4.26Å
937S59.1Low55.5Low11 Ų1150.3 Ų50.38%0.07725%0.249CC..  trans-71.4158.7172.163.30000113.9D939 S940 R941 F942S937-D939 WeakPolarHBondContact CB-OD1 3.09Å; S937-D939 PolarHBondContact O-N 3.04Å; S937-D939 VanDerWaalsContact O-N 3.16Å; S937-D939 PolarHBondContact OG-OD1 3.22Å; S937-S940 WeakPolarHBondContact O-CA 3.13Å; S937-S940 PolarHBondContact O-N 2.75Å; S937-R941 PolarHBondContact OG-N 3.38Å; S937-R941 VanDerWaalsContact OG-N 3.15Å; S937-F942 PolarHBondContact N-O 3.1Å; S937-F942 PolarHBondContact OG-N 2.97Å; S937-F942 PolarHBondContact OG-O 3.5Å
938S54.5Low56.7Low93 Ų9344 Ų4465%0.6522%0.22SC*.THydrogen-bonded Turntrans-60.6-25.4-178.451.20000115
939D50.6Low57.6Low53 Ų5339 Ų3928%0.28320%0.2SC..THydrogen-bonded Turntrans-95.83.1176.154.823.2000113.2S937 R941S937-D939 WeakPolarHBondContact CB-OD1 3.09Å; S937-D939 PolarHBondContact O-N 3.04Å; S937-D939 VanDerWaalsContact O-N 3.16Å; S937-D939 PolarHBondContact OG-OD1 3.22Å; D939-R941 HydrophobicContact CB-CG 4.26Å; D939-R941 VanDerWaalsContact CG-NE 3.28Å; D939-R941 PolarHBondContact O-N 2.97Å; D939-R941 VanDerWaalsContact O-N 3.13Å; D939-R941 WeakPolarHBondContact OD1-CB 3.31Å; D939-R941 PolarHBondContact OD1-N 3.15Å; D939-R941 IonicContact OD1-NE 3.58Å; D939-R941 IonicContact OD2-CZ 2.75Å; D939-R941 IonicContact OD2-NE 3.58Å; D939-R941 PolarHBondContact OD2-NE 2.91Å; D939-R941 IonicContact OD2-NH2 1.81Å; D939-R941 PolarHBondContact OD2-NH2 3.02Å
940S59.9Low58.3Low40 Ų4041.3 Ų41.328%0.2820%0.202SC..SBendtrans53.322.2-172.662.10000115.5S937 V972S937-S940 WeakPolarHBondContact O-CA 3.13Å; S937-S940 PolarHBondContact O-N 2.75Å; S940-V972 WeakPolarHBondContact O-CB 3.47Å; S940-V972 WeakPolarHBondContact O-CG1 3.42Å
941R59.9Low58.3Low97 Ų9742 Ų4237%0.36621%0.206SC..SBendtrans-85.3-24.3175.6-66.1-172.5-64.6164.3-3.6114.3S937 D939 E971 V972S937-R941 PolarHBondContact OG-N 3.38Å; S937-R941 VanDerWaalsContact OG-N 3.15Å; D939-R941 HydrophobicContact CB-CG 4.26Å; D939-R941 VanDerWaalsContact CG-NE 3.28Å; D939-R941 PolarHBondContact O-N 2.97Å; D939-R941 VanDerWaalsContact O-N 3.13Å; D939-R941 WeakPolarHBondContact OD1-CB 3.31Å; D939-R941 PolarHBondContact OD1-N 3.15Å; D939-R941 IonicContact OD1-NE 3.58Å; D939-R941 IonicContact OD2-CZ 2.75Å; D939-R941 IonicContact OD2-NE 3.58Å; D939-R941 PolarHBondContact OD2-NE 2.91Å; D939-R941 IonicContact OD2-NH2 1.81Å; D939-R941 PolarHBondContact OD2-NH2 3.02Å; R941-E971 CarbonylContact O-C 3.45Å; R941-E971 WeakPolarHBondContact O-CA 3.39Å; R941-V972 PolarHBondContact O-N 3.4Å
942F63.7Low57.8Low35 Ų3545.9 Ų45.915%0.15423%0.23CC..EExtended strand (participates in β ladder)trans-132.7158.7-174-61.3-81.4000112.6I936 S937 F944 W970 M996 N1001I936-F942 CarbonylContact C-O 3.53Å; I936-F942 WeakPolarHBondContact CA-O 3.32Å; S937-F942 PolarHBondContact N-O 3.1Å; S937-F942 PolarHBondContact OG-N 2.97Å; S937-F942 PolarHBondContact OG-O 3.5Å; F942-F944 HydrophobicContact CB-CE2 4.15Å; F942-W970 CarbonylContact C-O 3.54Å; F942-W970 WeakPolarHBondContact CA-O 3.45Å; F942-W970 WeakPolarHBondContact CD1-O 3.19Å; F942-M996 HydrophobicContact CB-SD 4.47Å; F942-M996 HydrophobicContact CD2-CE 3.98Å; F942-M996 HydrophobicContact CD2-SD 4.29Å; F942-N1001 WeakPolarHBondContact CZ-ND2 3.38Å
943L66.5Low57.4Low0 Ų054.4 Ų54.40%027%0.271CS..EExtended strand (participates in β ladder)trans-140.3139.2177.3163.469000109.5I934 T935 I936 M969 W970 V972 I1885 F1894 L1896I934-L943 HydrophobicContact CD1-CD1 4.48Å; I934-L943 HydrophobicContact CG1-CD1 4.21Å; I934-L943 HydrophobicContact CG2-CD1 4.02Å; T935-L943 CarbonylContact O-C 3.49Å; T935-L943 WeakPolarHBondContact O-CA 3.33Å; I936-L943 HydrophobicContact CG1-CD1 4.39Å; L943-M969 CarbonylContact O-C 3.51Å; L943-M969 WeakPolarHBondContact O-CA 3.27Å; L943-W970 HydrophobicContact CB-CB 4.08Å; L943-W970 HydrophobicContact CD2-CB 4.49Å; L943-W970 HydrophobicContact CG-CB 4.47Å; L943-W970 PolarHBondContact N-O 2.9Å; L943-W970 PolarHBondContact O-N 3.45Å; L943-V972 HydrophobicContact CB-CG2 4.17Å; L943-I1885 HydrophobicContact CD1-CD1 3.75Å; L943-I1885 HydrophobicContact CD1-CG2 4.47Å; L943-I1885 HydrophobicContact CD2-CD1 3.8Å; L943-I1885 HydrophobicContact CD2-CG2 4.36Å; L943-I1885 HydrophobicContact CG-CD1 4.28Å; L943-F1894 HydrophobicContact CD2-CD2 3.78Å; L943-F1894 HydrophobicContact CD2-CE2 3.23Å; L943-F1894 HydrophobicContact CD2-CZ 3.74Å; L943-F1894 HydrophobicContact CG-CE2 4.47Å; L943-L1896 HydrophobicContact CD2-CD1 4.15Å
944F64.3Low56.6Low5 Ų559.4 Ų59.42%0.02231%0.306CS..EExtended strand (participates in β ladder)trans-121.4154-180-69-96.6000111.5I934 T935 F942 N968 M969 M996 V1004 L1025I934-F944 CarbonylContact C-O 3.47Å; I934-F944 WeakPolarHBondContact CA-O 3.45Å; I934-F944 VanDerWaalsContact CG1-O 3.26Å; I934-F944 WeakPolarHBondContact CG1-O 3.22Å; T935-F944 PolarHBondContact N-O 3.26Å; T935-F944 PolarHBondContact O-N 3.42Å; F942-F944 HydrophobicContact CB-CE2 4.15Å; F944-N968 CarbonylContact C-O 3.45Å; F944-N968 WeakPolarHBondContact CA-O 3.38Å; F944-M969 HydrophobicContact CD1-CB 3.93Å; F944-M969 HydrophobicContact CD1-CG 4.08Å; F944-M969 HydrophobicContact CE1-CB 3.76Å; F944-M969 HydrophobicContact CE1-CG 3.55Å; F944-M969 HydrophobicContact CE1-SD 3.72Å; F944-M969 HydrophobicContact CE2-CG 4.33Å; F944-M969 HydrophobicContact CZ-CB 4.4Å; F944-M969 HydrophobicContact CZ-CG 3.69Å; F944-M969 HydrophobicContact CZ-SD 3.65Å; F944-M996 HydrophobicContact CD2-CB 4.46Å; F944-M996 HydrophobicContact CE2-CB 3.72Å; F944-M996 HydrophobicContact CE2-CG 3.81Å; F944-M996 HydrophobicContact CE2-SD 3.51Å; F944-M996 VanDerWaalsContact CE2-SD 3.51Å; F944-M996 HydrophobicContact CZ-CB 4.11Å; F944-M996 HydrophobicContact CZ-CG 3.77Å; F944-M996 HydrophobicContact CZ-SD 3.52Å; F944-M996 VanDerWaalsContact CZ-SD 3.52Å; F944-V1004 HydrophobicContact CD1-CG2 4.04Å; F944-V1004 HydrophobicContact CE1-CG2 4.18Å; F944-L1025 HydrophobicContact CE1-CD1 4.33Å
945T64Low55.3Low3 Ų365.5 Ų65.52%0.01834%0.339CS..EExtended strand (participates in β ladder)trans-139146.1177.974.20000110.5I933 I934 I967 N968 F1894I933-T945 CarbonylContact O-C 3.56Å; I933-T945 VanDerWaalsContact O-CA 3.28Å; I933-T945 WeakPolarHBondContact O-CA 3.42Å; I934-T945 HydrophobicContact CD1-CG2 3.91Å; I934-T945 HydrophobicContact CG1-CG2 3.65Å; T945-I967 CarbonylContact O-C 3.55Å; T945-I967 VanDerWaalsContact O-CA 3.28Å; T945-I967 WeakPolarHBondContact O-CA 3.45Å; T945-I967 WeakPolarHBondContact O-CG2 3.27Å; T945-N968 PolarHBondContact N-O 2.99Å; T945-N968 PolarHBondContact O-N 3.12Å; T945-N968 VanDerWaalsContact OG1-CB 3.25Å; T945-N968 WeakPolarHBondContact OG1-CB 3.37Å; T945-N968 PolarHBondContact OG1-ND2 3.02Å; T945-F1894 HydrophobicContact CG2-CD1 3.82Å; T945-F1894 HydrophobicContact CG2-CE1 3.63Å; T945-F1894 HydrophobicContact CG2-CZ 4.44Å
946L65.4Low53.9Low3 Ų371.1 Ų71.12%0.01637%0.367CS..EExtended strand (participates in β ladder)trans-119.9137.9171.517688.5000109.1E932 I933 W948 V965 I966 I967 L983 F991 L1006 K1887E932-L946 WeakPolarHBondContact CB-O 3.33Å; E932-L946 WeakPolarHBondContact CG-O 3.47Å; I933-L946 HydrophobicContact CB-CB 3.93Å; I933-L946 HydrophobicContact CB-CD2 4.25Å; I933-L946 HydrophobicContact CD1-CD2 4.03Å; I933-L946 HydrophobicContact CG1-CD2 3.98Å; I933-L946 PolarHBondContact O-N 2.84Å; L946-W948 HydrophobicContact CD2-CZ2 4.47Å; L946-V965 HydrophobicContact CD1-CG1 3.71Å; L946-V965 HydrophobicContact CG-CG1 4.11Å; L946-I966 CarbonylContact C-O 3.59Å; L946-I966 VanDerWaalsContact CA-O 3.29Å; L946-I966 WeakPolarHBondContact CA-O 3.34Å; L946-I966 WeakPolarHBondContact CD1-O 3.4Å; L946-I967 HydrophobicContact CB-CG1 4.36Å; L946-I967 HydrophobicContact CD1-CD1 3.9Å; L946-I967 HydrophobicContact CD1-CG1 3.41Å; L946-I967 VanDerWaalsContact CD1-CG1 3.41Å; L946-I967 HydrophobicContact CG-CG1 4.46Å; L946-L983 HydrophobicContact CD1-CD1 4.02Å; L946-F991 HydrophobicContact CD2-CB 4.43Å; L946-F991 HydrophobicContact CD2-CD2 4.21Å; L946-L1006 HydrophobicContact CD1-CD1 4.48Å; L946-K1887 PolarHBondContact O-NZ 2.95Å; L946-K1887 VanDerWaalsContact O-NZ 3.15Å
947T59.7Low53.3Low9 Ų979.3 Ų79.36%0.05540%0.404CS..EExtended strand (participates in β ladder)trans-141.1176.9-177.2750000113.4E932 V965 I966E932-T947 WeakPolarHBondContact OE1-CA 3.28Å; E932-T947 WeakPolarHBondContact OE1-CB 3.29Å; E932-T947 WeakPolarHBondContact OE2-CG2 3.37Å; T947-V965 CarbonylContact O-C 3.47Å; T947-V965 WeakPolarHBondContact O-CA 3.14Å; T947-V965 WeakPolarHBondContact O-CG1 3.21Å; T947-I966 PolarHBondContact N-O 2.82Å; T947-I966 PolarHBondContact O-N 3.48Å; T947-I966 WeakPolarHBondContact OG1-CB 3.4Å; T947-I966 WeakPolarHBondContact OG1-CG2 3.29Å
948W59.8Low52.6Low33 Ų3383.9 Ų83.913%0.12544%0.436CS..EExtended strand (participates in β ladder)trans-137.2156.3-173.1-43.875.1000114.3M930 L946 E964 V965 K1892M930-W948 HydrophobicContact CB-CD2 4.1Å; M930-W948 HydrophobicContact CB-CE3 4.36Å; M930-W948 HydrophobicContact CB-CH2 4.44Å; M930-W948 HydrophobicContact CB-CZ2 4.14Å; M930-W948 HydrophobicContact CG-CE3 4.48Å; M930-W948 HydrophobicContact CG-CZ3 4.45Å; M930-W948 HydrophobicContact SD-CD2 4.34Å; M930-W948 HydrophobicContact SD-CE3 3.81Å; M930-W948 HydrophobicContact SD-CZ3 4.04Å; L946-W948 HydrophobicContact CD2-CZ2 4.47Å; W948-E964 CarbonylContact C-O 3.48Å; W948-E964 WeakPolarHBondContact CA-O 3.45Å; W948-V965 HydrophobicContact CD2-CG1 3.97Å; W948-V965 HydrophobicContact CD2-CG2 4.41Å; W948-V965 HydrophobicContact CE3-CB 4.17Å; W948-V965 HydrophobicContact CE3-CG1 3.87Å; W948-V965 HydrophobicContact CE3-CG2 3.51Å; W948-V965 HydrophobicContact CH2-CG1 4.25Å; W948-V965 HydrophobicContact CH2-CG2 4.35Å; W948-V965 HydrophobicContact CZ2-CG1 4.36Å; W948-V965 HydrophobicContact CZ3-CB 4.38Å; W948-V965 HydrophobicContact CZ3-CG1 4.01Å; W948-V965 HydrophobicContact CZ3-CG2 3.48Å; W948-V965 VanDerWaalsContact CZ3-CG2 3.48Å; W948-K1892 PolarHBondContact O-NZ 2.99Å
949S54.3Low51.8Low34 Ų3483.9 Ų83.924%0.23844%0.436CS..EExtended strand (participates in β ladder)trans-135.1159.1-175.2160.50000114.2N963 E964S949-N963 WeakPolarHBondContact O-CA 3.38Å; S949-E964 WeakPolarHBondContact CB-OE2 3.48Å; S949-E964 PolarHBondContact N-O 3.09Å; S949-E964 PolarHBondContact O-N 3.29Å; S949-E964 PolarHBondContact OG-OE2 2.9Å
950R50.3Low51.2Low205 Ų20589.2 Ų89.277%0.77446%0.463SS*.EExtended strand (participates in β ladder)trans-131.6138.7175.6-82.5-174.4174.7175.5-0.1110.3
951M48Very low50.5Low107 Ų10793.5 Ų93.553%0.52748%0.483SS..  trans-98.5133.8-179.8-78.6-76.1176.100113.3E964M951-E964 VanDerWaalsContact CE-OE1 3.23Å; M951-E964 WeakPolarHBondContact CE-OE1 3.17Å
952N39.7Very low49.9Very low162 Ų16293.9 Ų93.987%0.86649%0.487SS*.  trans-101.1105.3173.3-76.8-17.5000110.9
953Q43.8Very low49.6Very low186 Ų18694.2 Ų94.287%0.86949%0.491SS*.  trans-140.3149.3166-72.5-167.2-11.900111
954S44.5Very low49.6Very low112 Ų11295.3 Ų95.378%0.78350%0.496SS*.  trans-10623.4-152.458.80000116.6
955N32.5Very low49.8Very low146 Ų14695.1 Ų95.178%0.78150%0.495SS*.  trans-115.385.8-174.9-77.7-2000113.8
956I30.9Very low50.1Low135 Ų13596.8 Ų96.869%0.69250%0.503SS*.  trans49.2111.2132-59.1175.7000118.7S958I956-S958 PolarHBondContact O-N 2.69Å; I956-S958 VanDerWaalsContact O-N 3.08Å
957E47Very low50.5Low196 Ų19696.8 Ų96.892%0.91650%0.503SS*.SBendtrans61.410145.7-62.4-17615400121.6
958S44.2Very low50.9Low107 Ų10796.4 Ų96.475%0.74850%0.501SS*.SBendtrans-147.551.4168.654.20000117I956I956-S958 PolarHBondContact O-N 2.69Å; I956-S958 VanDerWaalsContact O-N 3.08Å
959C39.1Very low51.4Low94 Ų9496.3 Ų96.364%0.63550%0.502SS*.  trans-160.9114.7159.1-98.80000111.9K962C959-K962 VanDerWaalsContact SG-CE 3.56Å; C959-K962 PolarHBondContact SG-NZ 2.72Å
960L38.1Very low52Low165 Ų16595.2 Ų95.286%0.86449%0.493SS*.  trans-103.9148.4167.6-78.6132.9000110.4
961N43.8Very low52.8Low129 Ų12988 Ų8869%0.6947%0.468SS*.  trans50.273.9171.4-68.4-15.3000117.3
962K49.3Very low53.5Low106 Ų10683 Ų8346%0.46144%0.443SS..  trans-107.8116.1164.1-70.7-178.1160.4172.40110.9C959 E985C959-K962 VanDerWaalsContact SG-CE 3.56Å; C959-K962 PolarHBondContact SG-NZ 2.72Å; K962-E985 WeakPolarHBondContact CD-OE1 3.47Å
963N56.5Low54.5Low42 Ų4278.3 Ų78.323%0.22542%0.418CS..EExtended strand (participates in β ladder)trans-129.4131.6179.7-67-11000109.9M930 S949 E985M930-N963 PolarHBondContact SD-ND2 3.37Å; M930-N963 VanDerWaalsContact SD-ND2 3.36Å; S949-N963 WeakPolarHBondContact O-CA 3.38Å; N963-E985 WeakPolarHBondContact O-CA 3.21Å
964E65.4Low55.3Low23 Ų2369.8 Ų69.811%0.10738%0.379CS..EExtended strand (participates in β ladder)trans-97158.9175.8-53.6167.8124.600111.8W948 S949 M951 G984W948-E964 CarbonylContact C-O 3.48Å; W948-E964 WeakPolarHBondContact CA-O 3.45Å; S949-E964 WeakPolarHBondContact CB-OE2 3.48Å; S949-E964 PolarHBondContact N-O 3.09Å; S949-E964 PolarHBondContact O-N 3.29Å; S949-E964 PolarHBondContact OG-OE2 2.9Å; M951-E964 VanDerWaalsContact CE-OE1 3.23Å; M951-E964 WeakPolarHBondContact CE-OE1 3.17Å; E964-G984 CarbonylContact C-O 3.32Å; E964-G984 VanDerWaalsContact CA-O 3.3Å; E964-G984 WeakPolarHBondContact CA-O 3.49Å
965V70.3Confident56Low1 Ų164.8 Ų64.81%0.00634%0.344CS..EExtended strand (participates in β ladder)trans-118153.9176.1-155.40000111.4L946 T947 W948 S982 L983 G984 W986L946-V965 HydrophobicContact CD1-CG1 3.71Å; L946-V965 HydrophobicContact CG-CG1 4.11Å; T947-V965 CarbonylContact O-C 3.47Å; T947-V965 WeakPolarHBondContact O-CA 3.14Å; T947-V965 WeakPolarHBondContact O-CG1 3.21Å; W948-V965 HydrophobicContact CD2-CG1 3.97Å; W948-V965 HydrophobicContact CD2-CG2 4.41Å; W948-V965 HydrophobicContact CE3-CB 4.17Å; W948-V965 HydrophobicContact CE3-CG1 3.87Å; W948-V965 HydrophobicContact CE3-CG2 3.51Å; W948-V965 HydrophobicContact CH2-CG1 4.25Å; W948-V965 HydrophobicContact CH2-CG2 4.35Å; W948-V965 HydrophobicContact CZ2-CG1 4.36Å; W948-V965 HydrophobicContact CZ3-CB 4.38Å; W948-V965 HydrophobicContact CZ3-CG1 4.01Å; W948-V965 HydrophobicContact CZ3-CG2 3.48Å; W948-V965 VanDerWaalsContact CZ3-CG2 3.48Å; V965-S982 CarbonylContact O-C 3.53Å; V965-S982 PolarHBondContact O-OG 3.24Å; V965-L983 HydrophobicContact CB-CB 4.07Å; V965-L983 HydrophobicContact CB-CD1 4.3Å; V965-L983 HydrophobicContact CG1-CD1 4.31Å; V965-L983 WeakPolarHBondContact O-CB 3.21Å; V965-L983 PolarHBondContact O-N 3.09Å; V965-G984 PolarHBondContact N-O 3.46Å; V965-G984 VanDerWaalsContact N-O 3.07Å; V965-W986 HydrophobicContact CG2-CB 4.27Å; V965-W986 HydrophobicContact CG2-CG 4.36Å
966I70.1Confident57.2Low37 Ų3762.8 Ų62.819%0.1934%0.337CS..EExtended strand (participates in β ladder)trans-144.1150.8-170.1-68.2173.1000110.8L946 T947 F981L946-I966 CarbonylContact C-O 3.59Å; L946-I966 VanDerWaalsContact CA-O 3.29Å; L946-I966 WeakPolarHBondContact CA-O 3.34Å; L946-I966 WeakPolarHBondContact CD1-O 3.4Å; T947-I966 PolarHBondContact N-O 2.82Å; T947-I966 PolarHBondContact O-N 3.48Å; T947-I966 WeakPolarHBondContact OG1-CB 3.4Å; T947-I966 WeakPolarHBondContact OG1-CG2 3.29Å; I966-F981 CarbonylContact C-O 3.55Å; I966-F981 WeakPolarHBondContact CA-O 3.25Å; I966-F981 VanDerWaalsContact CG2-O 3.27Å; I966-F981 WeakPolarHBondContact CG2-O 3.46Å
967I73.1Confident58.6Low4 Ų461.9 Ų61.92%0.02133%0.328CS..EExtended strand (participates in β ladder)trans-129.4148.6172-67.2175.3000111.7T945 L946 S980 F981 L983 V1004 L1006 V1023 L1025T945-I967 CarbonylContact O-C 3.55Å; T945-I967 VanDerWaalsContact O-CA 3.28Å; T945-I967 WeakPolarHBondContact O-CA 3.45Å; T945-I967 WeakPolarHBondContact O-CG2 3.27Å; L946-I967 HydrophobicContact CB-CG1 4.36Å; L946-I967 HydrophobicContact CD1-CD1 3.9Å; L946-I967 HydrophobicContact CD1-CG1 3.41Å; L946-I967 VanDerWaalsContact CD1-CG1 3.41Å; L946-I967 HydrophobicContact CG-CG1 4.46Å; I967-S980 CarbonylContact O-C 3.49Å; I967-S980 WeakPolarHBondContact O-CA 3.49Å; I967-F981 PolarHBondContact N-O 3.31Å; I967-F981 PolarHBondContact O-N 3.1Å; I967-L983 HydrophobicContact CD1-CD1 3.82Å; I967-L983 HydrophobicContact CG1-CD1 3.96Å; I967-V1004 HydrophobicContact CD1-CG2 4.48Å; I967-L1006 HydrophobicContact CD1-CD1 4.4Å; I967-V1023 HydrophobicContact CD1-CG1 3.92Å; I967-L1025 HydrophobicContact CB-CD2 3.67Å; I967-L1025 HydrophobicContact CD1-CD2 3.57Å; I967-L1025 HydrophobicContact CG1-CD2 4.17Å; I967-L1025 HydrophobicContact CG2-CD1 4.39Å; I967-L1025 HydrophobicContact CG2-CD2 3.48Å; I967-L1025 VanDerWaalsContact CG2-CD2 3.48Å
968N68.5Low59.3Low1 Ų155.1 Ų55.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-134.2154.6171.1-33.1-85.3000113T899 F944 T945 C979 S980T899-N968 HydrophobicContact CG2-CB 4.01Å; T899-N968 WeakPolarHBondContact CG2-ND2 3.4Å; F944-N968 CarbonylContact C-O 3.45Å; F944-N968 WeakPolarHBondContact CA-O 3.38Å; T945-N968 PolarHBondContact N-O 2.99Å; T945-N968 PolarHBondContact O-N 3.12Å; T945-N968 VanDerWaalsContact OG1-CB 3.25Å; T945-N968 WeakPolarHBondContact OG1-CB 3.37Å; T945-N968 PolarHBondContact OG1-ND2 3.02Å; N968-C979 CarbonylContact C-O 3.46Å; N968-C979 WeakPolarHBondContact CA-O 3.41Å; N968-C979 VanDerWaalsContact CB-O 3.3Å; N968-C979 WeakPolarHBondContact CB-O 3.19Å; N968-S980 WeakPolarHBondContact OD1-CB 3.07Å; N968-S980 PolarHBondContact OD1-OG 3.16Å
969M70Confident60.4Low30 Ų3052.9 Ų52.915%0.14829%0.286CS..EExtended strand (participates in β ladder)trans-130.2152.7-177.8177.9-176.962.400112.3L943 F944 S978 C979 N1001L943-M969 CarbonylContact O-C 3.51Å; L943-M969 WeakPolarHBondContact O-CA 3.27Å; F944-M969 HydrophobicContact CD1-CB 3.93Å; F944-M969 HydrophobicContact CD1-CG 4.08Å; F944-M969 HydrophobicContact CE1-CB 3.76Å; F944-M969 HydrophobicContact CE1-CG 3.55Å; F944-M969 HydrophobicContact CE1-SD 3.72Å; F944-M969 HydrophobicContact CE2-CG 4.33Å; F944-M969 HydrophobicContact CZ-CB 4.4Å; F944-M969 HydrophobicContact CZ-CG 3.69Å; F944-M969 HydrophobicContact CZ-SD 3.65Å; M969-S978 WeakPolarHBondContact O-CA 3.38Å; M969-S978 WeakPolarHBondContact O-CB 3.21Å; M969-C979 PolarHBondContact N-O 3.33Å; M969-C979 PolarHBondContact O-N 3.39Å; M969-N1001 HydrophobicContact SD-CB 4.02Å
970W66.3Low61.7Low11 Ų1149.6 Ų49.64%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-144.8151.5-173.4-59.684.2000113.9C897 Y898 T899 F942 L943 K977 S978 F1894C897-W970 HydrophobicContact CB-CD2 4.3Å; C897-W970 HydrophobicContact CB-CE3 3.82Å; C897-W970 HydrophobicContact CB-CH2 3.81Å; C897-W970 HydrophobicContact CB-CZ2 4.25Å; C897-W970 HydrophobicContact CB-CZ3 3.56Å; Y898-W970 VanDerWaalsContact N-CH2 3.34Å; Y898-W970 WeakPolarHBondContact O-CH2 3.22Å; Y898-W970 WeakPolarHBondContact O-CZ2 3.37Å; T899-W970 HydrophobicContact CG2-CZ2 3.95Å; F942-W970 CarbonylContact C-O 3.54Å; F942-W970 WeakPolarHBondContact CA-O 3.45Å; F942-W970 WeakPolarHBondContact CD1-O 3.19Å; L943-W970 HydrophobicContact CB-CB 4.08Å; L943-W970 HydrophobicContact CD2-CB 4.49Å; L943-W970 HydrophobicContact CG-CB 4.47Å; L943-W970 PolarHBondContact N-O 2.9Å; L943-W970 PolarHBondContact O-N 3.45Å; W970-K977 WeakPolarHBondContact CA-O 3.42Å; W970-S978 VanDerWaalsContact CH2-OG 3.23Å; W970-S978 WeakPolarHBondContact CH2-OG 3.26Å; W970-S978 WeakPolarHBondContact CZ3-OG 3.31Å; W970-F1894 AromaticContact CD1-CZ 3.65Å; W970-F1894 HydrophobicContact CD2-CE1 4.24Å; W970-F1894 AromaticContact CD2-CZ 3.58Å; W970-F1894 HydrophobicContact CD2-CZ 3.58Å; W970-F1894 AromaticContact CE2-CE1 3.61Å; W970-F1894 AromaticContact CE2-CZ 3.45Å; W970-F1894 VanDerWaalsContact CE2-CZ 3.45Å; W970-F1894 HydrophobicContact CE3-CZ 4.2Å; W970-F1894 AromaticContact CG-CZ 3.79Å; W970-F1894 HydrophobicContact CG-CZ 3.79Å; W970-F1894 AromaticContact CZ2-CE1 3.97Å; W970-F1894 HydrophobicContact CZ2-CE1 3.97Å; W970-F1894 HydrophobicContact CZ2-CZ 4.04Å; W970-F1894 AromaticContact NE1-CE1 3.42Å; W970-F1894 AromaticContact NE1-CZ 3.44Å
971E67.5Low63.1Low54 Ų5443.9 Ų43.925%0.25223%0.232SC..EExtended strand (participates in β ladder)trans-100.3123.1170-179.1179.9175.600112.3R941 L975 K977R941-E971 CarbonylContact O-C 3.45Å; R941-E971 WeakPolarHBondContact O-CA 3.39Å; E971-L975 WeakPolarHBondContact O-CA 3.49Å; E971-L975 PolarHBondContact O-N 3.04Å; E971-K977 PolarHBondContact N-O 3.07Å; E971-K977 IonicContact OE1-NZ 2.8Å; E971-K977 WeakPolarHBondContact OE2-CD 3.03Å; E971-K977 WeakPolarHBondContact OE2-CE 3.3Å; E971-K977 IonicContact OE2-NZ 2.67Å; E971-K977 PolarHBondContact OE2-NZ 3.36Å
972V63.2Low64Low1 Ų138.5 Ų38.51%0.00621%0.205CC..THydrogen-bonded Turntrans-77.6-30.2-172177.60000114.2S940 R941 L943 S974 L1883S940-V972 WeakPolarHBondContact O-CB 3.47Å; S940-V972 WeakPolarHBondContact O-CG1 3.42Å; R941-V972 PolarHBondContact O-N 3.4Å; L943-V972 HydrophobicContact CB-CG2 4.17Å; V972-S974 PolarHBondContact O-N 2.93Å; V972-L1883 HydrophobicContact CG1-CD2 4.34Å
973N60.9Low64.7Low65 Ų6533.7 Ų33.735%0.34818%0.184SC..THydrogen-bonded Turntrans-70.6-13.1178.8-78.4-33.5000113.6N1914N973-N1914 PolarHBondContact O-OD1 3.44Å
974S60.2Low65Low7 Ų731.8 Ų31.85%0.04917%0.174CC..THydrogen-bonded Turntrans-137.3-18-178.363.80000115.5L894 V972 T976L894-S974 WeakPolarHBondContact CD1-O 3.26Å; V972-S974 PolarHBondContact O-N 2.93Å; S974-T976 WeakPolarHBondContact O-CB 3.34Å; S974-T976 WeakPolarHBondContact O-CG2 3.42Å; S974-T976 PolarHBondContact O-N 2.98Å; S974-T976 PolarHBondContact O-OG1 3.1Å
975L60.1Low64.7Low6 Ų634 Ų343%0.03119%0.185CC..  trans45.20.3-177.6-59.7164.5000118.6L893 L894 E971 L1896L893-L975 HydrophobicContact CB-CD1 3.98Å; L893-L975 HydrophobicContact CD1-CD1 4.4Å; L894-L975 HydrophobicContact CB-CB 4.44Å; L894-L975 HydrophobicContact CB-CD1 4.31Å; L894-L975 HydrophobicContact CD1-CB 3.72Å; L894-L975 HydrophobicContact CD1-CD1 4.44Å; E971-L975 WeakPolarHBondContact O-CA 3.49Å; E971-L975 PolarHBondContact O-N 3.04Å; L975-L1896 HydrophobicContact CD1-CB 4.33Å; L975-L1896 HydrophobicContact CD1-CD1 4.1Å; L975-L1896 HydrophobicContact CD1-CD2 4.14Å; L975-L1896 HydrophobicContact CD1-CG 4.42Å; L975-L1896 HydrophobicContact CD2-CD1 3.75Å; L975-L1896 HydrophobicContact CD2-CD2 3.85Å; L975-L1896 HydrophobicContact CD2-CG 4.42Å
976T57.4Low64.5Low104 Ų10435.4 Ų35.464%0.63819%0.19SC*.  trans-96.67.4-172.839.40000114.1L894 S974L894-T976 HydrophobicContact CD1-CG2 4.25Å; S974-T976 WeakPolarHBondContact O-CB 3.34Å; S974-T976 WeakPolarHBondContact O-CG2 3.42Å; S974-T976 PolarHBondContact O-N 2.98Å; S974-T976 PolarHBondContact O-OG1 3.1Å
977K59.1Low63.7Low117 Ų11738.8 Ų38.851%0.50921%0.208SC..  trans-130.1131.1-176.9-53.3177-158.3155.50110.1W970 E971W970-K977 WeakPolarHBondContact CA-O 3.42Å; E971-K977 PolarHBondContact N-O 3.07Å; E971-K977 IonicContact OE1-NZ 2.8Å; E971-K977 WeakPolarHBondContact OE2-CD 3.03Å; E971-K977 WeakPolarHBondContact OE2-CE 3.3Å; E971-K977 IonicContact OE2-NZ 2.67Å; E971-K977 PolarHBondContact OE2-NZ 3.36Å
978S62.9Low63.3Low53 Ų5344.5 Ų44.537%0.37124%0.239SC..EExtended strand (participates in β ladder)trans-151.8168.7176.557.40000114.5M969 W970M969-S978 WeakPolarHBondContact O-CA 3.38Å; M969-S978 WeakPolarHBondContact O-CB 3.21Å; W970-S978 VanDerWaalsContact CH2-OG 3.23Å; W970-S978 WeakPolarHBondContact CH2-OG 3.26Å; W970-S978 WeakPolarHBondContact CZ3-OG 3.31Å
979C66.9Low63.4Low60 Ų6048.1 Ų48.141%0.40525%0.253SS..EExtended strand (participates in β ladder)trans-143.7156.5178.1-49.30000110N968 M969 F981N968-C979 CarbonylContact C-O 3.46Å; N968-C979 WeakPolarHBondContact CA-O 3.41Å; N968-C979 VanDerWaalsContact CB-O 3.3Å; N968-C979 WeakPolarHBondContact CB-O 3.19Å; M969-C979 PolarHBondContact N-O 3.33Å; M969-C979 PolarHBondContact O-N 3.39Å; C979-F981 HydrophobicContact CB-CE2 3.96Å; C979-F981 HydrophobicContact CB-CZ 3.96Å
980S65.5Low63.2Low25 Ų2549 Ų4918%0.17526%0.257CS..EExtended strand (participates in β ladder)trans-141146.2-173.1-65.70000113.2P901 I967 N968P901-S980 WeakPolarHBondContact CD-OG 3.46Å; P901-S980 WeakPolarHBondContact CG-OG 3.11Å; I967-S980 CarbonylContact O-C 3.49Å; I967-S980 WeakPolarHBondContact O-CA 3.49Å; N968-S980 WeakPolarHBondContact OD1-CB 3.07Å; N968-S980 PolarHBondContact OD1-OG 3.16Å
981F67.7Low63.5Low46 Ų4648.9 Ų48.920%0.20226%0.257CS..EExtended strand (participates in β ladder)trans-148.7145.9-171.7-49.3-86.3000112.1I966 I967 C979 L1025I966-F981 CarbonylContact C-O 3.55Å; I966-F981 WeakPolarHBondContact CA-O 3.25Å; I966-F981 VanDerWaalsContact CG2-O 3.27Å; I966-F981 WeakPolarHBondContact CG2-O 3.46Å; I967-F981 PolarHBondContact N-O 3.31Å; I967-F981 PolarHBondContact O-N 3.1Å; C979-F981 HydrophobicContact CB-CE2 3.96Å; C979-F981 HydrophobicContact CB-CZ 3.96Å; F981-L1025 HydrophobicContact CB-CB 4.42Å; F981-L1025 HydrophobicContact CD1-CB 3.87Å; F981-L1025 WeakPolarHBondContact CD1-O 3.44Å; F981-L1025 HydrophobicContact CD2-CB 3.72Å; F981-L1025 HydrophobicContact CD2-CD1 3.99Å; F981-L1025 HydrophobicContact CD2-CD2 4.08Å; F981-L1025 HydrophobicContact CD2-CG 4.13Å; F981-L1025 HydrophobicContact CE1-CB 3.97Å; F981-L1025 HydrophobicContact CE2-CB 3.84Å; F981-L1025 HydrophobicContact CE2-CD1 3.73Å; F981-L1025 HydrophobicContact CE2-CG 4.26Å; F981-L1025 HydrophobicContact CG-CB 3.73Å; F981-L1025 HydrophobicContact CG-CD2 4.46Å; F981-L1025 WeakPolarHBondContact CG-O 3.4Å; F981-L1025 HydrophobicContact CZ-CB 3.95Å; F981-L1025 HydrophobicContact CZ-CD1 4.36Å
982S62.9Low63.2Low16 Ų1651 Ų5111%0.11227%0.267CS..EExtended strand (participates in β ladder)trans-103.4158.6173.4-173.40000112.3V909 V965 G1028V909-S982 WeakPolarHBondContact CG2-O 3.34Å; V965-S982 CarbonylContact O-C 3.53Å; V965-S982 PolarHBondContact O-OG 3.24Å; S982-G1028 WeakPolarHBondContact O-CA 3.5Å
983L65.2Low63.3Low5 Ų555.7 Ų55.73%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-132.8-4.6-171.7-59-179.7000114.8L946 V965 I967 W986 V1023 G1028L946-L983 HydrophobicContact CD1-CD1 4.02Å; V965-L983 HydrophobicContact CB-CB 4.07Å; V965-L983 HydrophobicContact CB-CD1 4.3Å; V965-L983 HydrophobicContact CG1-CD1 4.31Å; V965-L983 WeakPolarHBondContact O-CB 3.21Å; V965-L983 PolarHBondContact O-N 3.09Å; I967-L983 HydrophobicContact CD1-CD1 3.82Å; I967-L983 HydrophobicContact CG1-CD1 3.96Å; L983-W986 PolarHBondContact O-NE1 2.89Å; L983-V1023 HydrophobicContact CD1-CG1 4.11Å; L983-V1023 HydrophobicContact CD2-CG1 3.45Å; L983-V1023 VanDerWaalsContact CD2-CG1 3.45Å; L983-V1023 HydrophobicContact CG-CG1 4.46Å; L983-G1028 VanDerWaalsContact CD2-O 3.31Å; L983-G1028 WeakPolarHBondContact CD2-O 3.49Å
984G62.9Low63.7Low2 Ų253 Ų532%0.02128%0.276CS..EExtended strand (participates in β ladder)trans79.2-166.3174.400000115.1E964 V965E964-G984 CarbonylContact C-O 3.32Å; E964-G984 VanDerWaalsContact CA-O 3.3Å; E964-G984 WeakPolarHBondContact CA-O 3.49Å; V965-G984 PolarHBondContact N-O 3.46Å; V965-G984 VanDerWaalsContact N-O 3.07Å
985E57.9Low64.1Low70 Ų7057.7 Ų57.733%0.32729%0.293SS..EExtended strand (participates in β ladder)trans-83.4121.1-173-66.6177.8-161.200113Y911 K962 N963Y911-E985 WeakPolarHBondContact CD1-O 3.01Å; K962-E985 WeakPolarHBondContact CD-OE1 3.47Å; N963-E985 WeakPolarHBondContact O-CA 3.21Å
986W66.6Low64.4Low29 Ų2958.1 Ų58.111%0.1130%0.295CS..  trans-126.3101.2179.7-70.880.8000112.1Y911 V965 L983 Y989 V1030Y911-W986 HydrophobicContact CD2-CZ2 4.42Å; Y911-W986 HydrophobicContact CE2-CH2 4.49Å; V965-W986 HydrophobicContact CG2-CB 4.27Å; V965-W986 HydrophobicContact CG2-CG 4.36Å; L983-W986 PolarHBondContact O-NE1 2.89Å; W986-Y989 HydrophobicContact CE3-CD1 4.2Å; W986-Y989 AromaticContact CE3-CD2 3.71Å; W986-Y989 HydrophobicContact CE3-CD2 3.71Å; W986-Y989 HydrophobicContact CE3-CE1 4.4Å; W986-Y989 AromaticContact CE3-CE2 3.95Å; W986-Y989 HydrophobicContact CE3-CE2 3.95Å; W986-Y989 AromaticContact CE3-CG 3.85Å; W986-Y989 HydrophobicContact CE3-CG 3.85Å; W986-Y989 HydrophobicContact CZ3-CD1 4.34Å; W986-Y989 HydrophobicContact CZ3-CD2 4.29Å; W986-Y989 HydrophobicContact CZ3-CE1 4.15Å; W986-Y989 HydrophobicContact CZ3-CE2 4.12Å; W986-Y989 HydrophobicContact CZ3-CG 4.42Å; W986-V1030 HydrophobicContact CH2-CB 3.88Å; W986-V1030 HydrophobicContact CH2-CG2 3.42Å; W986-V1030 VanDerWaalsContact CH2-CG2 3.42Å; W986-V1030 HydrophobicContact CZ2-CB 4.19Å; W986-V1030 HydrophobicContact CZ2-CG2 3.6Å; W986-V1030 HydrophobicContact CZ3-CG2 4.38Å
987L53.6Low64.8Low108 Ų10853.1 Ų53.157%0.56527%0.265SS*.SBendtrans-82.4135.3175.3-63.7169.6000110.9Y989L987-Y989 VanDerWaalsContact C-N 3.33Å; L987-Y989 VanDerWaalsContact O-CD2 3.29Å; L987-Y989 WeakPolarHBondContact O-CD2 3.24Å; L987-Y989 PolarHBondContact O-N 2.54Å
988N64.5Low64.9Low125 Ų12549 Ų4967%0.66825%0.249SC*.SBendtrans65.85.5173.7-57.9-0.8000118.8
989Y70.7Confident64.5Low76 Ų7648.7 Ų48.730%0.29824%0.242SC..EExtended strand (participates in β ladder)trans-90.2143.8178.5-81.3-101.2000114W986 L987 Y1008 T1010 L1021W986-Y989 HydrophobicContact CE3-CD1 4.2Å; W986-Y989 AromaticContact CE3-CD2 3.71Å; W986-Y989 HydrophobicContact CE3-CD2 3.71Å; W986-Y989 HydrophobicContact CE3-CE1 4.4Å; W986-Y989 AromaticContact CE3-CE2 3.95Å; W986-Y989 HydrophobicContact CE3-CE2 3.95Å; W986-Y989 AromaticContact CE3-CG 3.85Å; W986-Y989 HydrophobicContact CE3-CG 3.85Å; W986-Y989 HydrophobicContact CZ3-CD1 4.34Å; W986-Y989 HydrophobicContact CZ3-CD2 4.29Å; W986-Y989 HydrophobicContact CZ3-CE1 4.15Å; W986-Y989 HydrophobicContact CZ3-CE2 4.12Å; W986-Y989 HydrophobicContact CZ3-CG 4.42Å; L987-Y989 VanDerWaalsContact C-N 3.33Å; L987-Y989 VanDerWaalsContact O-CD2 3.29Å; L987-Y989 WeakPolarHBondContact O-CD2 3.24Å; L987-Y989 PolarHBondContact O-N 2.54Å; Y989-Y1008 AromaticContact CD1-CD2 3.94Å; Y989-Y1008 HydrophobicContact CD1-CD2 3.94Å; Y989-Y1008 HydrophobicContact CD1-CE2 4.13Å; Y989-Y1008 HydrophobicContact CE1-CD2 4.18Å; Y989-Y1008 AromaticContact CE1-CE2 3.91Å; Y989-Y1008 HydrophobicContact CE1-CE2 3.91Å; Y989-T1010 HydrophobicContact CE1-CG2 4.41Å; Y989-L1021 HydrophobicContact CD1-CD1 4.33Å; Y989-L1021 HydrophobicContact CE1-CD1 4.44Å
990I65.5Low64.1Low48 Ų4846.8 Ų46.825%0.24623%0.227CC..EExtended strand (participates in β ladder)trans-129.5126.7172.3-58.1-178.8000110.5Y1008 S1009 N1011I990-Y1008 CarbonylContact O-C 3.57Å; I990-Y1008 VanDerWaalsContact O-CA 3.28Å; I990-Y1008 WeakPolarHBondContact O-CA 3.49Å; I990-Y1008 WeakPolarHBondContact O-CB 3.42Å; I990-S1009 PolarHBondContact N-O 3.02Å; I990-S1009 PolarHBondContact O-N 2.8Å; I990-N1011 VanDerWaalsContact CD1-ND2 3.33Å; I990-N1011 WeakPolarHBondContact CD1-ND2 3.29Å
991F72.3Confident64Low10 Ų1048 Ų484%0.04423%0.231CC..EExtended strand (participates in β ladder)trans-100.2148.8176-59-82.1000111.7I933 L946 L1006 L1021I933-F991 HydrophobicContact CD1-CB 3.59Å; L946-F991 HydrophobicContact CD2-CB 4.43Å; L946-F991 HydrophobicContact CD2-CD2 4.21Å; F991-L1006 HydrophobicContact CD1-CB 3.67Å; F991-L1006 HydrophobicContact CD1-CD1 3.51Å; F991-L1006 HydrophobicContact CD1-CG 4.21Å; F991-L1006 HydrophobicContact CE1-CB 4.14Å; F991-L1006 HydrophobicContact CE1-CD1 3.59Å; F991-L1006 HydrophobicContact CG-CD1 4.02Å; F991-L1006 HydrophobicContact CZ-CD1 4.22Å; F991-L1021 HydrophobicContact CD1-CD1 4.13Å; F991-L1021 HydrophobicContact CE1-CB 4.43Å; F991-L1021 HydrophobicContact CE1-CD1 3.46Å; F991-L1021 VanDerWaalsContact CE1-CD1 3.46Å; F991-L1021 HydrophobicContact CZ-CD1 4.27Å
992H61.4Low63.7Low97 Ų9749.4 Ų49.445%0.44924%0.238SC..EExtended strand (participates in β ladder)trans-119.3-67.8-171.3-60.8-55.2000114.2T1007 Y1008 S1009H992-T1007 PolarHBondContact N-O 3.14Å; H992-Y1008 VanDerWaalsContact CD2-C 3.48Å; H992-S1009 PolarHBondContact NE2-N 2.77Å; H992-S1009 PolarHBondContact NE2-OG 2.86Å
993Q65.3Low64Low100 Ų10048.9 Ų48.947%0.46723%0.234SC..EExtended strand (participates in β ladder)trans-128.2141.3-175.1-59.4178-18.900111.9Y995 L1005 L1006 T1007Q993-Y995 HydrophobicContact CB-CE2 4.15Å; Q993-Y995 PolarHBondContact OE1-OH 3.42Å; Q993-Y995 VanDerWaalsContact OE1-OH 3.07Å; Q993-L1005 VanDerWaalsContact O-O 3.1Å; Q993-L1006 CarbonylContact O-C 2.73Å; Q993-L1006 VanDerWaalsContact O-CA 3.29Å; Q993-L1006 WeakPolarHBondContact O-CA 3.34Å; Q993-T1007 HydrophobicContact CB-CG2 4.41Å; Q993-T1007 WeakPolarHBondContact CB-OG1 3.22Å; Q993-T1007 PolarHBondContact N-OG1 2.81Å; Q993-T1007 PolarHBondContact O-N 2.77Å
994A69.2Low64.6Low9 Ų948.9 Ų48.97%0.07423%0.234CC..EExtended strand (participates in β ladder)trans-107.8115175.200000111.6I933 T935 V1004 L1005 L1006I933-A994 HydrophobicContact CG2-CB 4.05Å; T935-A994 WeakPolarHBondContact CB-O 3.26Å; T935-A994 HydrophobicContact CG2-CB 3.68Å; T935-A994 VanDerWaalsContact CG2-O 3.29Å; T935-A994 WeakPolarHBondContact CG2-O 3.4Å; T935-A994 VanDerWaalsContact OG1-CB 3.24Å; T935-A994 WeakPolarHBondContact OG1-CB 3.48Å; T935-A994 PolarHBondContact OG1-O 2.75Å; A994-V1004 HydrophobicContact CB-CG1 3.47Å; A994-V1004 VanDerWaalsContact CB-CG1 3.47Å; A994-L1005 WeakPolarHBondContact CA-O 3.21Å; A994-L1006 HydrophobicContact CB-CD2 3.69Å
995Y68.6Low65.3Low105 Ų10549 Ų4941%0.41224%0.235SC..EExtended strand (participates in β ladder)trans-100.7127.1166.9-62.8-94.4000109.9Q993 L1005 T1007Q993-Y995 HydrophobicContact CB-CE2 4.15Å; Q993-Y995 PolarHBondContact OE1-OH 3.42Å; Q993-Y995 VanDerWaalsContact OE1-OH 3.07Å; Y995-L1005 PolarHBondContact N-O 3.38Å; Y995-L1005 WeakPolarHBondContact O-CB 3.17Å; Y995-L1005 PolarHBondContact O-N 3.31Å; Y995-T1007 HydrophobicContact CD2-CG2 4.45Å; Y995-T1007 HydrophobicContact CE2-CG2 4.23Å
996M67.4Low66.1Low15 Ų1545.8 Ų45.87%0.07422%0.219CC..PPolyproline II helixtrans-88.7119.9165.2-172.6-163.569.600108.8F942 F944 N1001F942-M996 HydrophobicContact CB-SD 4.47Å; F942-M996 HydrophobicContact CD2-CE 3.98Å; F942-M996 HydrophobicContact CD2-SD 4.29Å; F944-M996 HydrophobicContact CD2-CB 4.46Å; F944-M996 HydrophobicContact CE2-CB 3.72Å; F944-M996 HydrophobicContact CE2-CG 3.81Å; F944-M996 HydrophobicContact CE2-SD 3.51Å; F944-M996 VanDerWaalsContact CE2-SD 3.51Å; F944-M996 HydrophobicContact CZ-CB 4.11Å; F944-M996 HydrophobicContact CZ-CG 3.77Å; F944-M996 HydrophobicContact CZ-SD 3.52Å; F944-M996 VanDerWaalsContact CZ-SD 3.52Å; M996-N1001 HydrophobicContact SD-CB 4.49Å
997P65.2Low66.6Low0 Ų045.6 Ų45.60%022%0.222CC..PPolyproline II helixtrans-68.5147.5171.5-11.226.4000110.7H999 Q1000 L1003 L1005 I1047 T1048 I1078P997-H999 PolarHBondContact O-N 3.06Å; P997-H999 VanDerWaalsContact O-N 3.11Å; P997-Q1000 HydrophobicContact CB-CB 4.06Å; P997-Q1000 HydrophobicContact CG-CB 4.02Å; P997-Q1000 PolarHBondContact O-N 3.43Å; P997-L1003 VanDerWaalsContact CD-O 3.27Å; P997-L1003 WeakPolarHBondContact CD-O 3.46Å; P997-L1003 HydrophobicContact CG-CD2 4.33Å; P997-L1005 HydrophobicContact CG-CD1 3.97Å; P997-L1005 HydrophobicContact CG-CG 4.12Å; P997-I1047 HydrophobicContact CB-CG2 4.13Å; P997-T1048 WeakPolarHBondContact CB-O 3.25Å; P997-I1078 HydrophobicContact CB-CD1 4.09Å; P997-I1078 HydrophobicContact CG-CD1 3.94Å
998V60.3Low67.4Low29 Ų2940.9 Ų40.918%0.17620%0.196CC..THydrogen-bonded Turntrans-63.4120.5-178.3-158.90000108.9I1047 R1049V998-I1047 HydrophobicContact CG2-CG2 4.49Å; V998-R1049 VanDerWaalsContact O-CA 3.24Å; V998-R1049 WeakPolarHBondContact O-CA 3.06Å; V998-R1049 WeakPolarHBondContact O-CB 3.22Å; V998-R1049 PolarHBondContact O-N 3.21Å
999H55.2Low67.8Low48 Ų4835.6 Ų35.622%0.22217%0.17CC..THydrogen-bonded Turntrans67.420.2-174-44-84.7000116.5P997 R1049 N1100 R1168P997-H999 PolarHBondContact O-N 3.06Å; P997-H999 VanDerWaalsContact O-N 3.11Å; H999-R1049 PolarHBondContact O-NH1 2.82Å; H999-R1049 VanDerWaalsContact O-NH1 3.08Å; H999-N1100 PolarHBondContact CD2-OD1 3.32Å; H999-N1100 VanDerWaalsContact CD2-OD1 3.28Å; H999-R1168 PolarHBondContact NE2-O 3.09Å
1000Q58.1Low67.8Low20 Ų2032.7 Ų32.79%0.09316%0.16CC..  trans-115.770.3156.8-83.4-167.7-2400111.1P997 Q1002 L1003 R1049P997-Q1000 HydrophobicContact CB-CB 4.06Å; P997-Q1000 HydrophobicContact CG-CB 4.02Å; P997-Q1000 PolarHBondContact O-N 3.43Å; Q1000-Q1002 PolarHBondContact O-N 3.44Å; Q1000-L1003 HydrophobicContact CB-CB 4.14Å; Q1000-L1003 PolarHBondContact O-N 2.98Å; Q1000-R1049 HydrophobicContact CG-CG 3.69Å; Q1000-R1049 WeakPolarHBondContact CG-O 3.37Å; Q1000-R1049 PolarHBondContact NE2-O 3.2Å; Q1000-R1049 PolarHBondContact OE1-O 3.18Å
1001N63.4Low67.5Low49 Ų4934.2 Ų34.226%0.26217%0.168SC..THydrogen-bonded Turntrans-62.2-23173.8-62.551.2000113F942 M969 M996F942-N1001 WeakPolarHBondContact CZ-ND2 3.38Å; M969-N1001 HydrophobicContact SD-CB 4.02Å; M996-N1001 HydrophobicContact SD-CB 4.49Å
1002Q61.8Low66.7Low77 Ų7736.8 Ų36.836%0.3618%0.183SC..THydrogen-bonded Turntrans-79.7-15.4180-60.4157.8-52.800113.9Q1000 L1025 E1026Q1000-Q1002 PolarHBondContact O-N 3.44Å; Q1002-L1025 WeakPolarHBondContact O-CB 3.21Å; Q1002-L1025 VanDerWaalsContact O-CG 3.25Å; Q1002-L1025 WeakPolarHBondContact O-CG 2.95Å; Q1002-L1025 PolarHBondContact O-N 3.32Å; Q1002-E1026 HydrophobicContact CB-CG 4.42Å; Q1002-E1026 HydrophobicContact CG-CG 4.26Å; Q1002-E1026 WeakPolarHBondContact CG-OE1 3.3Å; Q1002-E1026 PolarHBondContact NE2-OE1 2.8Å; Q1002-E1026 PolarHBondContact NE2-OE2 2.81Å
1003L70Confident66.2Low5 Ų537.6 Ų37.63%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-126.2120.2-168.3-171.3153.5000110.3P997 Q1000 L1005 A1022 V1023 I1078 P1079P997-L1003 VanDerWaalsContact CD-O 3.27Å; P997-L1003 WeakPolarHBondContact CD-O 3.46Å; P997-L1003 HydrophobicContact CG-CD2 4.33Å; Q1000-L1003 HydrophobicContact CB-CB 4.14Å; Q1000-L1003 PolarHBondContact O-N 2.98Å; L1003-L1005 HydrophobicContact CD2-CD2 3.71Å; L1003-L1005 HydrophobicContact CD2-CG 3.95Å; L1003-A1022 HydrophobicContact CD1-CB 4.25Å; L1003-A1022 HydrophobicContact CD2-CB 4.05Å; L1003-A1022 HydrophobicContact CG-CB 4.32Å; L1003-V1023 WeakPolarHBondContact CA-O 3.11Å; L1003-I1078 HydrophobicContact CD1-CG2 3.64Å; L1003-I1078 HydrophobicContact CD2-CG2 3.44Å; L1003-I1078 VanDerWaalsContact CD2-CG2 3.44Å; L1003-I1078 HydrophobicContact CG-CG2 4.19Å; L1003-P1079 HydrophobicContact CD1-CB 3.69Å; L1003-P1079 HydrophobicContact CD1-CG 3.71Å
1004V76.5Confident65.8Low4 Ų439.1 Ų39.12%0.02420%0.201CC..EExtended strand (participates in β ladder)trans-103.4117.9176.9-170.20000108.3F944 I967 A994 L1006 V1023 L1025F944-V1004 HydrophobicContact CD1-CG2 4.04Å; F944-V1004 HydrophobicContact CE1-CG2 4.18Å; I967-V1004 HydrophobicContact CD1-CG2 4.48Å; A994-V1004 HydrophobicContact CB-CG1 3.47Å; A994-V1004 VanDerWaalsContact CB-CG1 3.47Å; V1004-L1006 HydrophobicContact CB-CD2 4.44Å; V1004-L1006 HydrophobicContact CB-CG 4.41Å; V1004-L1006 HydrophobicContact CG1-CD2 3.49Å; V1004-L1006 VanDerWaalsContact CG1-CD2 3.49Å; V1004-L1006 HydrophobicContact CG1-CG 3.92Å; V1004-L1006 PolarHBondContact O-N 2.99Å; V1004-L1006 VanDerWaalsContact O-N 3.12Å; V1004-V1023 PolarHBondContact N-O 2.84Å; V1004-V1023 PolarHBondContact O-N 3.22Å; V1004-L1025 HydrophobicContact CG2-CD1 4.09Å; V1004-L1025 HydrophobicContact CG2-CD2 4.01Å; V1004-L1025 HydrophobicContact CG2-CG 4.23Å
1005L77.2Confident65.4Low5 Ų543.3 Ų43.33%0.02622%0.222CC..EExtended strand (participates in β ladder)trans-7890.1168.5-64.9176.6000108.1Q993 A994 Y995 P997 L1003 I1020 L1021 A1022 I1052 I1078 L1081Q993-L1005 VanDerWaalsContact O-O 3.1Å; A994-L1005 WeakPolarHBondContact CA-O 3.21Å; Y995-L1005 PolarHBondContact N-O 3.38Å; Y995-L1005 WeakPolarHBondContact O-CB 3.17Å; Y995-L1005 PolarHBondContact O-N 3.31Å; P997-L1005 HydrophobicContact CG-CD1 3.97Å; P997-L1005 HydrophobicContact CG-CG 4.12Å; L1003-L1005 HydrophobicContact CD2-CD2 3.71Å; L1003-L1005 HydrophobicContact CD2-CG 3.95Å; L1005-I1020 HydrophobicContact CB-CG2 3.96Å; L1005-I1020 HydrophobicContact CD2-CG2 4.05Å; L1005-L1021 CarbonylContact C-O 3.51Å; L1005-A1022 HydrophobicContact CD2-CB 4.28Å; L1005-I1052 HydrophobicContact CD1-CD1 4.16Å; L1005-I1078 HydrophobicContact CD1-CD1 4.13Å; L1005-I1078 HydrophobicContact CD2-CG1 4.4Å; L1005-I1078 HydrophobicContact CD2-CG2 3.95Å; L1005-L1081 HydrophobicContact CD2-CD1 3.86Å; L1005-L1081 HydrophobicContact CD2-CD2 3.93Å; L1005-L1081 HydrophobicContact CD2-CG 4.27Å
1006L76.2Confident65.2Low2 Ų239.9 Ų39.91%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-83.7107.9174.1-64.5-175.4000110I933 L946 I967 F991 Q993 A994 V1004 L1021 V1023I933-L1006 HydrophobicContact CD1-CD2 4.19Å; L946-L1006 HydrophobicContact CD1-CD1 4.48Å; I967-L1006 HydrophobicContact CD1-CD1 4.4Å; F991-L1006 HydrophobicContact CD1-CB 3.67Å; F991-L1006 HydrophobicContact CD1-CD1 3.51Å; F991-L1006 HydrophobicContact CD1-CG 4.21Å; F991-L1006 HydrophobicContact CE1-CB 4.14Å; F991-L1006 HydrophobicContact CE1-CD1 3.59Å; F991-L1006 HydrophobicContact CG-CD1 4.02Å; F991-L1006 HydrophobicContact CZ-CD1 4.22Å; Q993-L1006 CarbonylContact O-C 2.73Å; Q993-L1006 VanDerWaalsContact O-CA 3.29Å; Q993-L1006 WeakPolarHBondContact O-CA 3.34Å; A994-L1006 HydrophobicContact CB-CD2 3.69Å; V1004-L1006 HydrophobicContact CB-CD2 4.44Å; V1004-L1006 HydrophobicContact CB-CG 4.41Å; V1004-L1006 HydrophobicContact CG1-CD2 3.49Å; V1004-L1006 VanDerWaalsContact CG1-CD2 3.49Å; V1004-L1006 HydrophobicContact CG1-CG 3.92Å; V1004-L1006 PolarHBondContact O-N 2.99Å; V1004-L1006 VanDerWaalsContact O-N 3.12Å; L1006-L1021 HydrophobicContact CB-CB 4.48Å; L1006-L1021 PolarHBondContact N-O 3.36Å; L1006-L1021 WeakPolarHBondContact O-CA 3.46Å; L1006-L1021 WeakPolarHBondContact O-CB 3.48Å; L1006-L1021 PolarHBondContact O-N 3.47Å; L1006-V1023 HydrophobicContact CD1-CB 4.34Å; L1006-V1023 HydrophobicContact CD1-CG2 3.65Å; L1006-V1023 HydrophobicContact CG-CG2 4.22Å
1007T76.1Confident65.6Low26 Ų2642.8 Ų42.816%0.1622%0.222CC..EExtended strand (participates in β ladder)trans-67.5146.4165.4700000109.8H992 Q993 Y995 G1019 I1020H992-T1007 PolarHBondContact N-O 3.14Å; Q993-T1007 HydrophobicContact CB-CG2 4.41Å; Q993-T1007 WeakPolarHBondContact CB-OG1 3.22Å; Q993-T1007 PolarHBondContact N-OG1 2.81Å; Q993-T1007 PolarHBondContact O-N 2.77Å; Y995-T1007 HydrophobicContact CD2-CG2 4.45Å; Y995-T1007 HydrophobicContact CE2-CG2 4.23Å; T1007-G1019 CarbonylContact C-O 3.51Å; T1007-G1019 VanDerWaalsContact CA-O 3.26Å; T1007-G1019 WeakPolarHBondContact CA-O 3.13Å; T1007-I1020 HydrophobicContact CG2-CG1 4.22Å
1008Y71Confident65.9Low8 Ų845.6 Ų45.63%0.03124%0.241CC..EExtended strand (participates in β ladder)trans-154167.5-168.889.2-76.5000112.9Y989 I990 H992 T1010 G1019 L1021 N1033Y989-Y1008 AromaticContact CD1-CD2 3.94Å; Y989-Y1008 HydrophobicContact CD1-CD2 3.94Å; Y989-Y1008 HydrophobicContact CD1-CE2 4.13Å; Y989-Y1008 HydrophobicContact CE1-CD2 4.18Å; Y989-Y1008 AromaticContact CE1-CE2 3.91Å; Y989-Y1008 HydrophobicContact CE1-CE2 3.91Å; I990-Y1008 CarbonylContact O-C 3.57Å; I990-Y1008 VanDerWaalsContact O-CA 3.28Å; I990-Y1008 WeakPolarHBondContact O-CA 3.49Å; I990-Y1008 WeakPolarHBondContact O-CB 3.42Å; H992-Y1008 VanDerWaalsContact CD2-C 3.48Å; Y1008-T1010 HydrophobicContact CE2-CG2 4.11Å; Y1008-G1019 WeakPolarHBondContact CD1-O 3.1Å; Y1008-G1019 PolarHBondContact N-O 2.92Å; Y1008-G1019 PolarHBondContact O-N 3.46Å; Y1008-G1019 VanDerWaalsContact O-N 3.17Å; Y1008-L1021 HydrophobicContact CD1-CB 4.24Å; Y1008-L1021 HydrophobicContact CD1-CD1 3.58Å; Y1008-L1021 HydrophobicContact CD1-CG 3.48Å; Y1008-L1021 VanDerWaalsContact CD1-CG 3.48Å; Y1008-L1021 HydrophobicContact CD2-CD1 3.75Å; Y1008-L1021 HydrophobicContact CD2-CG 4.48Å; Y1008-L1021 HydrophobicContact CE1-CD1 4.08Å; Y1008-L1021 HydrophobicContact CE1-CG 3.76Å; Y1008-L1021 HydrophobicContact CE2-CD1 4.25Å; Y1008-L1021 HydrophobicContact CG-CD1 3.4Å; Y1008-L1021 VanDerWaalsContact CG-CD1 3.4Å; Y1008-L1021 HydrophobicContact CG-CG 3.9Å; Y1008-N1033 WeakPolarHBondContact CE1-OD1 3.48Å; Y1008-N1033 PolarHBondContact OH-ND2 3.3Å; Y1008-N1033 PolarHBondContact OH-OD1 2.81Å
1009S72.9Confident66.9Low15 Ų1544.9 Ų44.911%0.10524%0.239CC..EExtended strand (participates in β ladder)trans-148.8163.916463.40000113I990 H992 K1017I990-S1009 PolarHBondContact N-O 3.02Å; I990-S1009 PolarHBondContact O-N 2.8Å; H992-S1009 PolarHBondContact NE2-N 2.77Å; H992-S1009 PolarHBondContact NE2-OG 2.86Å; S1009-K1017 VanDerWaalsContact CA-O 3.22Å; S1009-K1017 WeakPolarHBondContact CA-O 3.14Å; S1009-K1017 WeakPolarHBondContact CB-O 3.19Å
1010T70.5Confident68.1Low15 Ų1543.9 Ų43.99%0.09224%0.235CC..EExtended strand (participates in β ladder)trans-103.6151.717464.50000112.1Y989 Y1008 D1012 N1735Y989-T1010 HydrophobicContact CE1-CG2 4.41Å; Y1008-T1010 HydrophobicContact CE2-CG2 4.11Å; T1010-D1012 WeakPolarHBondContact CB-OD2 3.47Å; T1010-D1012 PolarHBondContact OG1-OD2 3.34Å; T1010-N1735 PolarHBondContact O-ND2 2.95Å
1011N58.5Low69.1Low79 Ų7943 Ų4342%0.42223%0.232SC..  trans-10451.2-177-101.610.7000112.7Q928 I990Q928-N1011 PolarHBondContact OE1-ND2 2.83Å; I990-N1011 VanDerWaalsContact CD1-ND2 3.33Å; I990-N1011 WeakPolarHBondContact CD1-ND2 3.29Å
1012D55Low69.7Low65 Ų6540.7 Ų40.735%0.34822%0.219SC..  trans-88165.5176.2-51.3-64.2000111.7T1010 K1016T1010-D1012 WeakPolarHBondContact CB-OD2 3.47Å; T1010-D1012 PolarHBondContact OG1-OD2 3.34Å; D1012-K1016 HydrophobicContact CB-CG 4.45Å; D1012-K1016 WeakPolarHBondContact O-CE 2.99Å; D1012-K1016 WeakPolarHBondContact O-CG 3.06Å
1013L51.5Low70.2Confident113 Ų11337.1 Ų37.159%0.59220%0.202SC*.SBendtrans-83.5-44.5172.9-83.5155.4000112.2
1014D56.5Low70.2Confident132 Ų13237.7 Ų37.771%0.70621%0.206SC*.SBendtrans-129.124.7-166.4-49-72.1000115.2
1015N60.4Low69.7Low97 Ų9737.6 Ų37.652%0.51921%0.205SC..  trans-159.440.3170.6-129.2-99.8000116.4K1017 E1734N1015-K1017 PolarHBondContact O-NZ 2.93Å; N1015-K1017 PolarHBondContact OD1-NZ 3.14Å; N1015-E1734 WeakPolarHBondContact CA-OE1 3.5Å; N1015-E1734 PolarHBondContact N-OE1 2.95Å; N1015-E1734 VanDerWaalsContact N-OE1 3.16Å; N1015-E1734 PolarHBondContact N-OE2 3.31Å
1016K65.2Low69.1Low33 Ų3342.2 Ų42.214%0.14323%0.226CC..  trans-69.6145.3-169.3-59.7168.4174.8-177.10113.7D1012 E1734 N1735D1012-K1016 HydrophobicContact CB-CG 4.45Å; D1012-K1016 WeakPolarHBondContact O-CE 2.99Å; D1012-K1016 WeakPolarHBondContact O-CG 3.06Å; K1016-E1734 HydrophobicContact CB-CB 4.06Å; K1016-E1734 WeakPolarHBondContact CB-OE2 3.45Å; K1016-E1734 WeakPolarHBondContact CG-OE2 3.46Å; K1016-E1734 PolarHBondContact N-OE2 2.55Å; K1016-N1735 HydrophobicContact CB-CB 4.09Å; K1016-N1735 VanDerWaalsContact CB-N 3.3Å; K1016-N1735 HydrophobicContact CD-CB 3.83Å; K1016-N1735 VanDerWaalsContact CD-N 3.28Å
1017K75.2Confident68.3Low77 Ų7746.9 Ų46.934%0.33525%0.251SS..  trans-134.2139-176.2-73.6138-172.2124.90112.6S1009 N1015 N1735S1009-K1017 VanDerWaalsContact CA-O 3.22Å; S1009-K1017 WeakPolarHBondContact CA-O 3.14Å; S1009-K1017 WeakPolarHBondContact CB-O 3.19Å; N1015-K1017 PolarHBondContact O-NZ 2.93Å; N1015-K1017 PolarHBondContact OD1-NZ 3.14Å; K1017-N1735 PolarHBondContact N-OD1 2.98Å; K1017-N1735 PolarHBondContact O-OD1 2.88Å
1018S72.6Confident67.5Low59 Ų5945.7 Ų45.741%0.41324%0.243SC..EExtended strand (participates in β ladder)trans-105.5138.6165.780.70000110.4S1035 V1036S1018-S1035 WeakPolarHBondContact O-CA 3.05Å; S1018-S1035 WeakPolarHBondContact O-CB 3.45Å; S1018-V1036 PolarHBondContact O-N 3.44Å
1019G80.1Confident67Low13 Ų1347.6 Ų47.613%0.13426%0.257CS..EExtended strand (participates in β ladder)trans-169-175.7-179.200000116.2T1007 Y1008 L1034T1007-G1019 CarbonylContact C-O 3.51Å; T1007-G1019 VanDerWaalsContact CA-O 3.26Å; T1007-G1019 WeakPolarHBondContact CA-O 3.13Å; Y1008-G1019 WeakPolarHBondContact CD1-O 3.1Å; Y1008-G1019 PolarHBondContact N-O 2.92Å; Y1008-G1019 PolarHBondContact O-N 3.46Å; Y1008-G1019 VanDerWaalsContact O-N 3.17Å; G1019-L1034 CarbonylContact C-O 3.45Å; G1019-L1034 WeakPolarHBondContact CA-O 3.33Å
1020I81.3Confident66.9Low28 Ų2849 Ų4914%0.14427%0.265CS..EExtended strand (participates in β ladder)trans-116119.6173.5-45.1-178.5000107.6L1005 T1007 N1033 L1034 L1042 L1081L1005-I1020 HydrophobicContact CB-CG2 3.96Å; L1005-I1020 HydrophobicContact CD2-CG2 4.05Å; T1007-I1020 HydrophobicContact CG2-CG1 4.22Å; I1020-N1033 WeakPolarHBondContact O-CA 3.21Å; I1020-L1034 PolarHBondContact N-O 2.59Å; I1020-L1034 PolarHBondContact O-N 2.97Å; I1020-L1042 HydrophobicContact CD1-CD1 4.36Å; I1020-L1081 HydrophobicContact CB-CD1 3.87Å; I1020-L1081 HydrophobicContact CB-CD2 4.24Å; I1020-L1081 HydrophobicContact CD1-CD2 4.27Å; I1020-L1081 HydrophobicContact CG2-CD1 3.65Å; I1020-L1081 HydrophobicContact CG2-CD2 4.06Å; I1020-L1081 HydrophobicContact CG2-CG 4.5Å; I1020-L1081 WeakPolarHBondContact O-CD1 3.37Å
1021L79.1Confident67Low2 Ų251.4 Ų51.41%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-90.9131.9165.6-77.8161.9000109Y989 F991 L1005 L1006 Y1008 V1030 G1032 N1033Y989-L1021 HydrophobicContact CD1-CD1 4.33Å; Y989-L1021 HydrophobicContact CE1-CD1 4.44Å; F991-L1021 HydrophobicContact CD1-CD1 4.13Å; F991-L1021 HydrophobicContact CE1-CB 4.43Å; F991-L1021 HydrophobicContact CE1-CD1 3.46Å; F991-L1021 VanDerWaalsContact CE1-CD1 3.46Å; F991-L1021 HydrophobicContact CZ-CD1 4.27Å; L1005-L1021 CarbonylContact C-O 3.51Å; L1006-L1021 HydrophobicContact CB-CB 4.48Å; L1006-L1021 PolarHBondContact N-O 3.36Å; L1006-L1021 WeakPolarHBondContact O-CA 3.46Å; L1006-L1021 WeakPolarHBondContact O-CB 3.48Å; L1006-L1021 PolarHBondContact O-N 3.47Å; Y1008-L1021 HydrophobicContact CD1-CB 4.24Å; Y1008-L1021 HydrophobicContact CD1-CD1 3.58Å; Y1008-L1021 HydrophobicContact CD1-CG 3.48Å; Y1008-L1021 VanDerWaalsContact CD1-CG 3.48Å; Y1008-L1021 HydrophobicContact CD2-CD1 3.75Å; Y1008-L1021 HydrophobicContact CD2-CG 4.48Å; Y1008-L1021 HydrophobicContact CE1-CD1 4.08Å; Y1008-L1021 HydrophobicContact CE1-CG 3.76Å; Y1008-L1021 HydrophobicContact CE2-CD1 4.25Å; Y1008-L1021 HydrophobicContact CG-CD1 3.4Å; Y1008-L1021 VanDerWaalsContact CG-CD1 3.4Å; Y1008-L1021 HydrophobicContact CG-CG 3.9Å; L1021-V1030 HydrophobicContact CD2-CB 4.46Å; L1021-V1030 HydrophobicContact CD2-CG1 3.49Å; L1021-V1030 VanDerWaalsContact CD2-CG1 3.49Å; L1021-V1030 HydrophobicContact CD2-CG2 4.08Å; L1021-G1032 CarbonylContact C-O 3.55Å; L1021-G1032 VanDerWaalsContact CA-O 3.32Å; L1021-G1032 WeakPolarHBondContact CA-O 3.34Å; L1021-N1033 HydrophobicContact CD2-CB 3.89Å
1022A75.3Confident67.4Low0 Ų047.9 Ų47.90%026%0.258CS..EExtended strand (participates in β ladder)trans-94109.516400000108.7L1003 L1005 E1031 G1032 P1079 L1081L1003-A1022 HydrophobicContact CD1-CB 4.25Å; L1003-A1022 HydrophobicContact CD2-CB 4.05Å; L1003-A1022 HydrophobicContact CG-CB 4.32Å; L1005-A1022 HydrophobicContact CD2-CB 4.28Å; A1022-E1031 PolarHBondContact O-N 3.25Å; A1022-G1032 PolarHBondContact N-O 2.79Å; A1022-P1079 HydrophobicContact CB-CB 3.7Å; A1022-P1079 WeakPolarHBondContact CB-O 3.38Å; A1022-L1081 HydrophobicContact CB-CD1 3.89Å
1023V72.2Confident68.4Low2 Ų247.7 Ų47.71%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-94121.6171.4174.90000108.3I967 L983 L1003 V1004 L1006 L1025 V1030I967-V1023 HydrophobicContact CD1-CG1 3.92Å; L983-V1023 HydrophobicContact CD1-CG1 4.11Å; L983-V1023 HydrophobicContact CD2-CG1 3.45Å; L983-V1023 VanDerWaalsContact CD2-CG1 3.45Å; L983-V1023 HydrophobicContact CG-CG1 4.46Å; L1003-V1023 WeakPolarHBondContact CA-O 3.11Å; V1004-V1023 PolarHBondContact N-O 2.84Å; V1004-V1023 PolarHBondContact O-N 3.22Å; L1006-V1023 HydrophobicContact CD1-CB 4.34Å; L1006-V1023 HydrophobicContact CD1-CG2 3.65Å; L1006-V1023 HydrophobicContact CG-CG2 4.22Å; V1023-L1025 HydrophobicContact CG1-CD2 4.46Å; V1023-V1030 HydrophobicContact CG2-CG2 3.99Å
1024N71.6Confident69.3Low17 Ų1743.2 Ų43.29%0.09123%0.233CC..EExtended strand (participates in β ladder)trans-91.7120.5169.1-178.4-10.9000108.9E1026 G1028 C1029 E1031N1024-E1026 VanDerWaalsContact C-N 3.29Å; N1024-E1026 PolarHBondContact O-N 3.35Å; N1024-E1026 PolarHBondContact OD1-N 2.84Å; N1024-G1028 WeakPolarHBondContact O-CA 3.09Å; N1024-G1028 PolarHBondContact O-N 2.74Å; N1024-G1028 VanDerWaalsContact O-N 3.15Å; N1024-C1029 PolarHBondContact N-O 3.33Å; N1024-E1031 HydrophobicContact CB-CG 3.76Å; N1024-E1031 WeakPolarHBondContact CB-OE2 3.26Å; N1024-E1031 PolarHBondContact ND2-OE1 2.74Å
1025L66.1Low70.1Confident1 Ų139.4 Ų39.41%0.00522%0.217CC..THydrogen-bonded Turntrans-65.9-31.3-177.7-59.7-179.2000112.5F944 I967 F981 Q1002 V1004 V1023F944-L1025 HydrophobicContact CE1-CD1 4.33Å; I967-L1025 HydrophobicContact CB-CD2 3.67Å; I967-L1025 HydrophobicContact CD1-CD2 3.57Å; I967-L1025 HydrophobicContact CG1-CD2 4.17Å; I967-L1025 HydrophobicContact CG2-CD1 4.39Å; I967-L1025 HydrophobicContact CG2-CD2 3.48Å; I967-L1025 VanDerWaalsContact CG2-CD2 3.48Å; F981-L1025 HydrophobicContact CB-CB 4.42Å; F981-L1025 HydrophobicContact CD1-CB 3.87Å; F981-L1025 WeakPolarHBondContact CD1-O 3.44Å; F981-L1025 HydrophobicContact CD2-CB 3.72Å; F981-L1025 HydrophobicContact CD2-CD1 3.99Å; F981-L1025 HydrophobicContact CD2-CD2 4.08Å; F981-L1025 HydrophobicContact CD2-CG 4.13Å; F981-L1025 HydrophobicContact CE1-CB 3.97Å; F981-L1025 HydrophobicContact CE2-CB 3.84Å; F981-L1025 HydrophobicContact CE2-CD1 3.73Å; F981-L1025 HydrophobicContact CE2-CG 4.26Å; F981-L1025 HydrophobicContact CG-CB 3.73Å; F981-L1025 HydrophobicContact CG-CD2 4.46Å; F981-L1025 WeakPolarHBondContact CG-O 3.4Å; F981-L1025 HydrophobicContact CZ-CB 3.95Å; F981-L1025 HydrophobicContact CZ-CD1 4.36Å; Q1002-L1025 WeakPolarHBondContact O-CB 3.21Å; Q1002-L1025 VanDerWaalsContact O-CG 3.25Å; Q1002-L1025 WeakPolarHBondContact O-CG 2.95Å; Q1002-L1025 PolarHBondContact O-N 3.32Å; V1004-L1025 HydrophobicContact CG2-CD1 4.09Å; V1004-L1025 HydrophobicContact CG2-CD2 4.01Å; V1004-L1025 HydrophobicContact CG2-CG 4.23Å; V1023-L1025 HydrophobicContact CG1-CD2 4.46Å
1026E64.6Low70.6Confident103 Ų10336.1 Ų36.148%0.48120%0.201SC..THydrogen-bonded Turntrans-80.4-37.9-172.1-57.6-175.8144.900113.2L907 Q1002 N1024L907-E1026 WeakPolarHBondContact CD1-O 3.11Å; Q1002-E1026 HydrophobicContact CB-CG 4.42Å; Q1002-E1026 HydrophobicContact CG-CG 4.26Å; Q1002-E1026 WeakPolarHBondContact CG-OE1 3.3Å; Q1002-E1026 PolarHBondContact NE2-OE1 2.8Å; Q1002-E1026 PolarHBondContact NE2-OE2 2.81Å; N1024-E1026 VanDerWaalsContact C-N 3.29Å; N1024-E1026 PolarHBondContact O-N 3.35Å; N1024-E1026 PolarHBondContact OD1-N 2.84Å
1027L58.6Low70.8Confident99 Ų9940.4 Ų40.452%0.51823%0.23SC..THydrogen-bonded Turntrans-83.3-19.7174.3-61.3178.2000112.1C1029 E1031L1027-C1029 HydrophobicContact CB-CB 4.48Å; L1027-C1029 WeakPolarHBondContact CB-SG 3.38Å; L1027-C1029 PolarHBondContact O-N 2.9Å; L1027-E1031 HydrophobicContact CD1-CG 4.46Å; L1027-E1031 WeakPolarHBondContact CD1-OE1 3.32Å
1028G59.5Low69.9Low1 Ų141.8 Ų41.81%0.0123%0.234CC..  trans63.8-1.5-16800000114.7V909 S982 L983 N1024V909-G1028 WeakPolarHBondContact CG2-O 3.34Å; S982-G1028 WeakPolarHBondContact O-CA 3.5Å; L983-G1028 VanDerWaalsContact CD2-O 3.31Å; L983-G1028 WeakPolarHBondContact CD2-O 3.49Å; N1024-G1028 WeakPolarHBondContact O-CA 3.09Å; N1024-G1028 PolarHBondContact O-N 2.74Å; N1024-G1028 VanDerWaalsContact O-N 3.15Å
1029C60.9Low68.9Low48 Ų4843.3 Ų43.332%0.32424%0.242SC..SBendtrans-93.3157.1178710000112.7N1024 L1027N1024-C1029 PolarHBondContact N-O 3.33Å; L1027-C1029 HydrophobicContact CB-CB 4.48Å; L1027-C1029 WeakPolarHBondContact CB-SG 3.38Å; L1027-C1029 PolarHBondContact O-N 2.9Å
1030V71.1Confident68.2Low45 Ų4548.2 Ų48.227%0.27326%0.264SS..EExtended strand (participates in β ladder)trans-72.9127163.7159.20000109.3W986 L1021 V1023W986-V1030 HydrophobicContact CH2-CB 3.88Å; W986-V1030 HydrophobicContact CH2-CG2 3.42Å; W986-V1030 VanDerWaalsContact CH2-CG2 3.42Å; W986-V1030 HydrophobicContact CZ2-CB 4.19Å; W986-V1030 HydrophobicContact CZ2-CG2 3.6Å; W986-V1030 HydrophobicContact CZ3-CG2 4.38Å; L1021-V1030 HydrophobicContact CD2-CB 4.46Å; L1021-V1030 HydrophobicContact CD2-CG1 3.49Å; L1021-V1030 VanDerWaalsContact CD2-CG1 3.49Å; L1021-V1030 HydrophobicContact CD2-CG2 4.08Å; V1023-V1030 HydrophobicContact CG2-CG2 3.99Å
1031E71.1Confident67.3Low66 Ų6655 Ų5531%0.30830%0.295SS..EExtended strand (participates in β ladder)trans-100.7-30.2178.9-67.5-174.9143.600113A1022 N1024 L1027 P1079A1022-E1031 PolarHBondContact O-N 3.25Å; N1024-E1031 HydrophobicContact CB-CG 3.76Å; N1024-E1031 WeakPolarHBondContact CB-OE2 3.26Å; N1024-E1031 PolarHBondContact ND2-OE1 2.74Å; L1027-E1031 HydrophobicContact CD1-CG 4.46Å; L1027-E1031 WeakPolarHBondContact CD1-OE1 3.32Å; E1031-P1079 HydrophobicContact CB-CB 3.6Å; E1031-P1079 HydrophobicContact CB-CG 4.12Å; E1031-P1079 VanDerWaalsContact OE2-CB 3.27Å; E1031-P1079 WeakPolarHBondContact OE2-CB 3.22Å; E1031-P1079 WeakPolarHBondContact OE2-CG 3.32Å
1032G66.7Low67.2Low5 Ų557.6 Ų57.65%0.05231%0.309CS..EExtended strand (participates in β ladder)trans-144.5145.7-169.400000113L1021 A1022L1021-G1032 CarbonylContact C-O 3.55Å; L1021-G1032 VanDerWaalsContact CA-O 3.32Å; L1021-G1032 WeakPolarHBondContact CA-O 3.34Å; A1022-G1032 PolarHBondContact N-O 2.79Å
1033N76.1Confident66.9Low60 Ų6063.8 Ų63.832%0.32134%0.336SS..EExtended strand (participates in β ladder)trans-146.4113.9175.5-172.4-17.3000109.3Y1008 I1020 L1021 S1035Y1008-N1033 WeakPolarHBondContact CE1-OD1 3.48Å; Y1008-N1033 PolarHBondContact OH-ND2 3.3Å; Y1008-N1033 PolarHBondContact OH-OD1 2.81Å; I1020-N1033 WeakPolarHBondContact O-CA 3.21Å; L1021-N1033 HydrophobicContact CD2-CB 3.89Å; N1033-S1035 PolarHBondContact OD1-N 3.06Å
1034L70.4Confident66.8Low19 Ų1966.5 Ų66.510%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-107.198.9163172.476000107.9G1019 I1020 V1036 L1042 Y1076 L1081G1019-L1034 CarbonylContact C-O 3.45Å; G1019-L1034 WeakPolarHBondContact CA-O 3.33Å; I1020-L1034 PolarHBondContact N-O 2.59Å; I1020-L1034 PolarHBondContact O-N 2.97Å; L1034-V1036 HydrophobicContact CD1-CG2 4.18Å; L1034-V1036 HydrophobicContact CD2-CG2 4.43Å; L1034-V1036 HydrophobicContact CG-CG2 4.11Å; L1034-L1042 HydrophobicContact CD2-CD1 3.51Å; L1034-Y1076 HydrophobicContact CD1-CE1 4.45Å; L1034-Y1076 HydrophobicContact CD2-CD1 3.8Å; L1034-Y1076 HydrophobicContact CD2-CE1 3.94Å; L1034-L1081 HydrophobicContact CB-CB 3.34Å; L1034-L1081 HydrophobicContact CD2-CB 4.4Å; L1034-L1081 WeakPolarHBondContact CD2-O 3.26Å; L1034-L1081 HydrophobicContact CG-CB 4.46Å
1035S73.4Confident66.3Low53 Ų5370.2 Ų70.237%0.37137%0.369SS..EExtended strand (participates in β ladder)trans-86.1145.5157.652.80000110.2S1018 N1033S1018-S1035 WeakPolarHBondContact O-CA 3.05Å; S1018-S1035 WeakPolarHBondContact O-CB 3.45Å; N1033-S1035 PolarHBondContact OD1-N 3.06Å
1036V70.9Confident66Low28 Ų2872 Ų7217%0.1738%0.381CS..EExtended strand (participates in β ladder)trans-124.5123.8172.2176.50000106.9S1018 L1034 Y1038 I1040 L1042S1018-V1036 PolarHBondContact O-N 3.44Å; L1034-V1036 HydrophobicContact CD1-CG2 4.18Å; L1034-V1036 HydrophobicContact CD2-CG2 4.43Å; L1034-V1036 HydrophobicContact CG-CG2 4.11Å; V1036-Y1038 PolarHBondContact O-N 2.78Å; V1036-I1040 HydrophobicContact CG1-CB 3.79Å; V1036-I1040 HydrophobicContact CG1-CG2 4.22Å; V1036-L1042 HydrophobicContact CG2-CD1 4.31Å
1037T70Confident65.7Low123 Ų12369.5 Ų69.576%0.75537%0.37SS*.  trans-64.6126.2167.849.30000108.5
1038Y56Low66Low106 Ų10664.8 Ų64.842%0.41635%0.345SS..THydrogen-bonded Turntrans-47.3136.7177.5-175.2-99000111.1V1036 Q1712 I1729 S1736V1036-Y1038 PolarHBondContact O-N 2.78Å; Y1038-Q1712 PolarHBondContact OH-NE2 2.89Å; Y1038-Q1712 PolarHBondContact OH-OE1 3.11Å; Y1038-Q1712 VanDerWaalsContact OH-OE1 3.09Å; Y1038-I1729 HydrophobicContact CE1-CD1 4.16Å; Y1038-I1729 HydrophobicContact CE2-CD1 4.2Å; Y1038-I1729 WeakPolarHBondContact OH-CD1 3.32Å; Y1038-S1736 WeakPolarHBondContact CD2-OG 3.4Å
1039P52Low65.8Low91 Ų9168.1 Ų68.159%0.59136%0.358SS*.THydrogen-bonded Turncis-116.313.523.442.3-34.8000116.7
1040I65.8Low65.8Low116 Ų11667.3 Ų67.360%0.59535%0.353SS*.  trans-67.9139.8-174.6-67171.1000111.7V1036V1036-I1040 HydrophobicContact CG1-CB 3.79Å; V1036-I1040 HydrophobicContact CG1-CG2 4.22Å
1041Q62.9Low65.8Low171 Ų17165.1 Ų65.180%0.79934%0.34SS*.  trans-120159.5179.9-66.7-170.3-2.200113.5
1042L75.8Confident65.7Low56 Ų5662.2 Ų62.229%0.29333%0.326SS..  trans-121.5111.9-169.4-62.9173.1000110.7I1020 L1034 V1036 I1054 Y1076I1020-L1042 HydrophobicContact CD1-CD1 4.36Å; L1034-L1042 HydrophobicContact CD2-CD1 3.51Å; V1036-L1042 HydrophobicContact CG2-CD1 4.31Å; L1042-I1054 HydrophobicContact CB-CD1 4.09Å; L1042-I1054 HydrophobicContact CD2-CD1 4.04Å; L1042-Y1076 HydrophobicContact CD2-CE1 3.77Å
1043K69Low65.9Low130 Ų13063 Ų6357%0.56533%0.329SS*.EExtended strand (participates in β ladder)trans-110.7127.3174.5-179.7175.1177.91790112.9I1054 K1055K1043-I1054 CarbonylContact O-C 3.29Å; K1043-I1054 VanDerWaalsContact O-CA 3.25Å; K1043-I1054 WeakPolarHBondContact O-CA 3.33Å; K1043-I1054 WeakPolarHBondContact O-CG2 3.48Å; K1043-K1055 PolarHBondContact O-N 2.87Å
1044I69.9Low65.6Low58 Ų5860.3 Ų60.330%0.29732%0.315SS..EExtended strand (participates in β ladder)trans-80.9126.9176.2-39.6-173.3000111.5C1046 I1047 I1052I1044-C1046 VanDerWaalsContact CG2-O 3.28Å; I1044-C1046 WeakPolarHBondContact CG2-O 3.46Å; I1044-I1047 HydrophobicContact CB-CG1 4.3Å; I1044-I1047 HydrophobicContact CD1-CD1 4.12Å; I1044-I1047 HydrophobicContact CD1-CG1 3.69Å; I1044-I1047 HydrophobicContact CG2-CB 4.35Å; I1044-I1047 HydrophobicContact CG2-CG1 3.58Å; I1044-I1052 HydrophobicContact CB-CG2 3.83Å; I1044-I1052 HydrophobicContact CD1-CG2 3.71Å; I1044-I1052 HydrophobicContact CG1-CG2 3.44Å; I1044-I1052 VanDerWaalsContact CG1-CG2 3.44Å; I1044-I1052 HydrophobicContact CG2-CG2 3.42Å; I1044-I1052 VanDerWaalsContact CG2-CG2 3.42Å
1045L60.7Low65.7Low95 Ų9564.3 Ų64.350%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-87.8-37.6164.2-73.9177.7000111.7L1053 K1055 A1073L1045-L1053 HydrophobicContact CB-CB 4.38Å; L1045-L1053 HydrophobicContact CB-CD2 3.8Å; L1045-L1053 HydrophobicContact CB-CG 3.94Å; L1045-L1053 HydrophobicContact CD1-CD2 4.03Å; L1045-L1053 HydrophobicContact CD1-CG 4.1Å; L1045-L1053 PolarHBondContact N-O 3Å; L1045-K1055 HydrophobicContact CD1-CB 3.83Å; L1045-K1055 HydrophobicContact CD2-CB 4.08Å; L1045-K1055 HydrophobicContact CG-CB 3.73Å; L1045-A1073 HydrophobicContact CD1-CB 4.4Å
1046C61.7Low65.5Low38 Ų3866.4 Ų66.426%0.25734%0.335SS..EExtended strand (participates in β ladder)trans-144.9117177.3-143.40000108.2I1044 T1048 L1053I1044-C1046 VanDerWaalsContact CG2-O 3.28Å; I1044-C1046 WeakPolarHBondContact CG2-O 3.46Å; C1046-T1048 HydrophobicContact CB-CG2 3.77Å; C1046-T1048 PolarHBondContact O-N 2.65Å; C1046-T1048 WeakPolarHBondContact SG-CG2 3.12Å; C1046-L1053 HydrophobicContact CB-CB 3.89Å; C1046-L1053 HydrophobicContact CB-CD2 4.07Å; C1046-L1053 PolarHBondContact N-O 3.01Å; C1046-L1053 PolarHBondContact O-N 3.05Å; C1046-L1053 VanDerWaalsContact O-N 3.08Å
1047I58.2Low64.6Low51 Ų5169 Ų6926%0.26235%0.353SS..EExtended strand (participates in β ladder)trans-79.4114.6162.7-56.9172.1000104.8P997 V998 I1044P997-I1047 HydrophobicContact CB-CG2 4.13Å; V998-I1047 HydrophobicContact CG2-CG2 4.49Å; I1044-I1047 HydrophobicContact CB-CG1 4.3Å; I1044-I1047 HydrophobicContact CD1-CD1 4.12Å; I1044-I1047 HydrophobicContact CD1-CG1 3.69Å; I1044-I1047 HydrophobicContact CG2-CB 4.35Å; I1044-I1047 HydrophobicContact CG2-CG1 3.58Å
1048T64.5Low63.8Low0 Ų070.5 Ų70.50%035%0.352CS..  trans-124.9170.6-17948.20000107.9P997 C1046 S1051 I1097 L1098 P1099 D1101P997-T1048 WeakPolarHBondContact CB-O 3.25Å; C1046-T1048 HydrophobicContact CB-CG2 3.77Å; C1046-T1048 PolarHBondContact O-N 2.65Å; C1046-T1048 WeakPolarHBondContact SG-CG2 3.12Å; T1048-S1051 PolarHBondContact N-O 2.75Å; T1048-S1051 VanDerWaalsContact O-O 3.13Å; T1048-S1051 PolarHBondContact OG1-O 3.12Å; T1048-I1097 HydrophobicContact CG2-CB 4.46Å; T1048-I1097 HydrophobicContact CG2-CG2 4Å; T1048-L1098 WeakPolarHBondContact CB-O 3.36Å; T1048-L1098 WeakPolarHBondContact CG2-O 3.41Å; T1048-P1099 CarbonylContact C-O 3.51Å; T1048-P1099 WeakPolarHBondContact CA-O 3.33Å; T1048-D1101 WeakPolarHBondContact CA-OD2 3.38Å; T1048-D1101 VanDerWaalsContact CB-CG 3.48Å; T1048-D1101 WeakPolarHBondContact CB-OD2 3.4Å; T1048-D1101 PolarHBondContact OG1-OD1 3.37Å; T1048-D1101 PolarHBondContact OG1-OD2 2.73Å
1049R55.8Low63.3Low71 Ų7171.7 Ų71.727%0.26837%0.372SS..SBendtrans-50-61.8-173.1178.1-167.9171.999.14.4114.9V998 H999 Q1000 P1099 N1100 D1101V998-R1049 VanDerWaalsContact O-CA 3.24Å; V998-R1049 WeakPolarHBondContact O-CA 3.06Å; V998-R1049 WeakPolarHBondContact O-CB 3.22Å; V998-R1049 PolarHBondContact O-N 3.21Å; H999-R1049 PolarHBondContact O-NH1 2.82Å; H999-R1049 VanDerWaalsContact O-NH1 3.08Å; Q1000-R1049 HydrophobicContact CG-CG 3.69Å; Q1000-R1049 WeakPolarHBondContact CG-O 3.37Å; Q1000-R1049 PolarHBondContact NE2-O 3.2Å; Q1000-R1049 PolarHBondContact OE1-O 3.18Å; R1049-P1099 PolarHBondContact N-O 3.13Å; R1049-N1100 WeakPolarHBondContact CB-O 3.19Å; R1049-D1101 HydrophobicContact CB-CB 4.12Å; R1049-D1101 PolarHBondContact N-OD2 2.73Å
1050S60.1Low63.1Low31 Ų3177 Ų7722%0.21739%0.387CS..SBendtrans-118.820-171.870.40000115.1I1078 D1101 K1144S1050-I1078 PolarHBondContact O-N 3.02Å; S1050-D1101 VanDerWaalsContact N-CB 3.34Å; S1050-D1101 VanDerWaalsContact N-CG 3.28Å; S1050-D1101 PolarHBondContact N-OD2 3.34Å; S1050-D1101 WeakPolarHBondContact OG-CB 3.19Å; S1050-K1144 PolarHBondContact O-NZ 2.84Å; S1050-K1144 PolarHBondContact OG-NZ 2.9Å
1051S70.6Confident61.8Low0 Ų075 Ų750%039%0.394CS..EExtended strand (participates in β ladder)trans-156.1167.4163.976.80000111.5T1048 V1075 Y1076 D1101 K1144T1048-S1051 PolarHBondContact N-O 2.75Å; T1048-S1051 VanDerWaalsContact O-O 3.13Å; T1048-S1051 PolarHBondContact OG1-O 3.12Å; S1051-V1075 VanDerWaalsContact CB-CG1 3.47Å; S1051-V1075 VanDerWaalsContact OG-CG1 3.29Å; S1051-V1075 WeakPolarHBondContact OG-CG1 3.23Å; S1051-Y1076 CarbonylContact C-O 3.57Å; S1051-Y1076 WeakPolarHBondContact CA-O 3.11Å; S1051-Y1076 WeakPolarHBondContact CB-O 3.48Å; S1051-D1101 VanDerWaalsContact CB-OD1 3.31Å; S1051-D1101 WeakPolarHBondContact CB-OD1 3.3Å; S1051-D1101 PolarHBondContact N-OD1 3.31Å; S1051-D1101 PolarHBondContact N-OD2 2.75Å; S1051-D1101 PolarHBondContact OG-OD1 2.72Å; S1051-K1144 VanDerWaalsContact CB-CE 3.47Å; S1051-K1144 VanDerWaalsContact CB-NZ 3.3Å; S1051-K1144 VanDerWaalsContact OG-CD 3.31Å; S1051-K1144 WeakPolarHBondContact OG-CD 3.21Å
1052I70.1Confident60.3Low4 Ų474.5 Ų74.52%0.02140%0.397CS..EExtended strand (participates in β ladder)trans-106.7114.9165.2-48.4-179.4000105.5L1005 I1044 I1054 Y1076 I1078 L1081L1005-I1052 HydrophobicContact CD1-CD1 4.16Å; I1044-I1052 HydrophobicContact CB-CG2 3.83Å; I1044-I1052 HydrophobicContact CD1-CG2 3.71Å; I1044-I1052 HydrophobicContact CG1-CG2 3.44Å; I1044-I1052 VanDerWaalsContact CG1-CG2 3.44Å; I1044-I1052 HydrophobicContact CG2-CG2 3.42Å; I1044-I1052 VanDerWaalsContact CG2-CG2 3.42Å; I1052-I1054 HydrophobicContact CB-CD1 4.11Å; I1052-I1054 HydrophobicContact CB-CG1 3.81Å; I1052-I1054 HydrophobicContact CG2-CD1 3.79Å; I1052-I1054 HydrophobicContact CG2-CG1 3.33Å; I1052-I1054 PolarHBondContact O-N 3.36Å; I1052-I1054 VanDerWaalsContact O-N 3.08Å; I1052-Y1076 PolarHBondContact N-O 3.07Å; I1052-Y1076 PolarHBondContact O-N 3.14Å; I1052-I1078 HydrophobicContact CG1-CD1 3.78Å; I1052-I1078 HydrophobicContact CG1-CG1 3.94Å; I1052-L1081 HydrophobicContact CD1-CD2 3.87Å
1053L70.7Confident58.4Low23 Ų2380 Ų8012%0.1243%0.427CS..EExtended strand (participates in β ladder)trans-70.2103.2164.5-179.567.8000106L1045 C1046 A1073 T1074 V1075 F1095 I1097L1045-L1053 HydrophobicContact CB-CB 4.38Å; L1045-L1053 HydrophobicContact CB-CD2 3.8Å; L1045-L1053 HydrophobicContact CB-CG 3.94Å; L1045-L1053 HydrophobicContact CD1-CD2 4.03Å; L1045-L1053 HydrophobicContact CD1-CG 4.1Å; L1045-L1053 PolarHBondContact N-O 3Å; C1046-L1053 HydrophobicContact CB-CB 3.89Å; C1046-L1053 HydrophobicContact CB-CD2 4.07Å; C1046-L1053 PolarHBondContact N-O 3.01Å; C1046-L1053 PolarHBondContact O-N 3.05Å; C1046-L1053 VanDerWaalsContact O-N 3.08Å; L1053-A1073 HydrophobicContact CD1-CB 4.12Å; L1053-T1074 WeakPolarHBondContact CD1-O 3.36Å; L1053-V1075 HydrophobicContact CD1-CG2 3.87Å; L1053-F1095 HydrophobicContact CD1-CE1 4.21Å; L1053-I1097 HydrophobicContact CB-CD1 4.15Å; L1053-I1097 HydrophobicContact CD1-CD1 3.88Å; L1053-I1097 HydrophobicContact CD1-CG1 4.47Å; L1053-I1097 HydrophobicContact CG-CD1 4.46Å
1054I68.6Low56.5Low3 Ų382.9 Ų82.92%0.01544%0.442CS..EExtended strand (participates in β ladder)trans-99.9128.5-177.2-67-166.3000108.3L1042 K1043 I1052 T1074 Y1076L1042-I1054 HydrophobicContact CB-CD1 4.09Å; L1042-I1054 HydrophobicContact CD2-CD1 4.04Å; K1043-I1054 CarbonylContact O-C 3.29Å; K1043-I1054 VanDerWaalsContact O-CA 3.25Å; K1043-I1054 WeakPolarHBondContact O-CA 3.33Å; K1043-I1054 WeakPolarHBondContact O-CG2 3.48Å; I1052-I1054 HydrophobicContact CB-CD1 4.11Å; I1052-I1054 HydrophobicContact CB-CG1 3.81Å; I1052-I1054 HydrophobicContact CG2-CD1 3.79Å; I1052-I1054 HydrophobicContact CG2-CG1 3.33Å; I1052-I1054 PolarHBondContact O-N 3.36Å; I1052-I1054 VanDerWaalsContact O-N 3.08Å; I1054-T1074 PolarHBondContact N-O 3.38Å; I1054-T1074 CarbonylContact O-C 3.42Å; I1054-T1074 PolarHBondContact O-N 2.97Å; I1054-T1074 PolarHBondContact O-OG1 3.02Å; I1054-Y1076 HydrophobicContact CB-CD2 3.64Å; I1054-Y1076 HydrophobicContact CB-CE2 3.77Å; I1054-Y1076 HydrophobicContact CD1-CD1 4.17Å; I1054-Y1076 HydrophobicContact CD1-CD2 3.55Å; I1054-Y1076 HydrophobicContact CD1-CE1 4.49Å; I1054-Y1076 HydrophobicContact CD1-CE2 3.92Å; I1054-Y1076 HydrophobicContact CD1-CG 3.68Å; I1054-Y1076 HydrophobicContact CG1-CD2 3.75Å; I1054-Y1076 HydrophobicContact CG1-CE2 4.24Å; I1054-Y1076 HydrophobicContact CG1-CG 4.25Å; I1054-Y1076 HydrophobicContact CG2-CD2 4.22Å; I1054-Y1076 HydrophobicContact CG2-CE2 3.84Å
1055K74.2Confident54.8Low102 Ų10290.1 Ų90.144%0.44347%0.471SS..EExtended strand (participates in β ladder)trans-86.6111.4158.3-171.8170.9176.7179.90106.8K1043 L1045 C1057K1043-K1055 PolarHBondContact O-N 2.87Å; L1045-K1055 HydrophobicContact CD1-CB 3.83Å; L1045-K1055 HydrophobicContact CD2-CB 4.08Å; L1045-K1055 HydrophobicContact CG-CB 3.73Å; K1055-C1057 VanDerWaalsContact C-N 3.32Å; K1055-C1057 PolarHBondContact O-N 2.59Å
1056Q67.2Low53.3Low97 Ų9795.3 Ų95.345%0.45349%0.493SS..  trans-62.3102.7155.1-74.7173.9-9.600106.6E1058 Y1076Q1056-E1058 VanDerWaalsContact C-N 3.31Å; Q1056-E1058 PolarHBondContact O-N 2.74Å; Q1056-E1058 VanDerWaalsContact O-N 3.1Å; Q1056-Y1076 PolarHBondContact NE2-OH 2.73Å
1057C52.3Low51.6Low82 Ų8299 Ų9955%0.55451%0.514SS*.  trans-85.972.2-174.3-78.60000110.8K1055K1055-C1057 VanDerWaalsContact C-N 3.32Å; K1055-C1057 PolarHBondContact O-N 2.59Å
1058E54.6Low50.5Low156 Ų156104 Ų10473%0.72955%0.547SS*.  trans-70.5139.6154.4-66.2173.3173.100109.1Q1056Q1056-E1058 VanDerWaalsContact C-N 3.31Å; Q1056-E1058 PolarHBondContact O-N 2.74Å; Q1056-E1058 VanDerWaalsContact O-N 3.1Å
1059P44.3Very low49.6Very low130 Ų130108.5 Ų108.584%0.84458%0.579SS**  trans-71.2149.1170.430.5-33.4000111
1060K49.1Very low49.2Very low204 Ų204109 Ų10989%0.88758%0.584SS**  trans-128.5152.8178.9-78.1-167.9171.2-167.80111.4
1061G36.5Very low49.4Very low72 Ų72112.8 Ų112.874%0.74260%0.602SS**  trans-121.4-173.7173.100000113.5
1062N32Very low49.3Very low162 Ų162119 Ų11987%0.86663%0.626SS**  trans-86.6146.3-171-55.5-8.1000112.7
1063N35.7Very low49.6Very low172 Ų172119.9 Ų119.992%0.9263%0.634SS**  trans-175.1150.8151-100.1-14.1000110.6
1064E30.6Very low49.7Very low190 Ų190119.7 Ų119.789%0.88863%0.634SS**  trans-112.8145.1-175.9-58.5179.9133.500112.3
1065K33.3Very low50Low210 Ų210119.6 Ų119.691%0.91363%0.633SS**  trans-178.4152.8145-106.1174-178.2-1730111T1067K1065-T1067 PolarHBondContact O-N 2.87Å
1066H29.9Very low49.9Very low204 Ų204115.4 Ų115.494%0.94462%0.615SS**  trans-72.595.6-174.8-82.7-91.8000113.7
1067T26Very low50.3Low115 Ų115112.1 Ų112.171%0.70660%0.603SS**  trans-133.2135.514659.10000109.8K1065 S1069K1065-T1067 PolarHBondContact O-N 2.87Å; T1067-S1069 VanDerWaalsContact C-N 3.28Å; T1067-S1069 PolarHBondContact O-N 3.11Å
1068T34.4Very low51Low156 Ų156108.6 Ų108.696%0.95758%0.578SS**  trans-75.981.7173.552.50000110.1
1069S44.6Very low51.5Low95 Ų95102.5 Ų102.566%0.66455%0.552SS**  trans-111.2163.6171.363.90000111.1T1067T1067-S1069 VanDerWaalsContact C-N 3.28Å; T1067-S1069 PolarHBondContact O-N 3.11Å
1070Q48.5Very low52.6Low82 Ų82100 Ų10038%0.38353%0.532SS..  trans-114.6153.3-160.6-64.1166.6-17.100112.8Y1072 P1092Q1070-Y1072 WeakPolarHBondContact O-CD2 3.47Å; Q1070-Y1072 WeakPolarHBondContact O-CE2 3.13Å; Q1070-P1092 HydrophobicContact CB-CB 3.58Å; Q1070-P1092 HydrophobicContact CG-CB 4.23Å
1071D63.5Low53.7Low109 Ų10990.3 Ų90.358%0.58349%0.49SS*.  trans-70.1164.8-179.8-77.9-60.1000115.1V1091 P1092 L1093D1071-V1091 CarbonylContact O-C 3.54Å; D1071-P1092 VanDerWaalsContact O-CA 3.23Å; D1071-P1092 WeakPolarHBondContact O-CA 3.4Å; D1071-L1093 HydrophobicContact CB-CD1 3.84Å; D1071-L1093 HydrophobicContact CB-CG 4.13Å
1072Y70.2Confident55.4Low130 Ų13093.7 Ų93.751%0.5148%0.484SS..  trans-149.6151.9-172-58-55.5000116.5Q1070 K1090 V1091 P1092Q1070-Y1072 WeakPolarHBondContact O-CD2 3.47Å; Q1070-Y1072 WeakPolarHBondContact O-CE2 3.13Å; Y1072-K1090 HydrophobicContact CD1-CB 3.67Å; Y1072-K1090 HydrophobicContact CD2-CB 4.24Å; Y1072-K1090 HydrophobicContact CD2-CD 4.14Å; Y1072-K1090 HydrophobicContact CD2-CG 4.49Å; Y1072-K1090 HydrophobicContact CE1-CB 4.31Å; Y1072-K1090 HydrophobicContact CG-CB 3.63Å; Y1072-K1090 HydrophobicContact CG-CD 4.32Å; Y1072-K1090 HydrophobicContact CG-CG 4.17Å; Y1072-V1091 WeakPolarHBondContact CA-O 3.42Å; Y1072-P1092 HydrophobicContact CE1-CB 4.45Å
1073A75.7Confident56.9Low24 Ų2489 Ų8920%0.19846%0.463CS..  trans-149169.5170.500000112.7L1045 L1053 S1089L1045-A1073 HydrophobicContact CD1-CB 4.4Å; L1053-A1073 HydrophobicContact CD1-CB 4.12Å; A1073-S1089 CarbonylContact O-C 3.6Å
1074T73.2Confident58Low18 Ų1882.6 Ų82.611%0.1143%0.428CS..EExtended strand (participates in β ladder)trans-109159.1176.263.10000113.4L1053 I1054 L1088 S1089L1053-T1074 WeakPolarHBondContact CD1-O 3.36Å; I1054-T1074 PolarHBondContact N-O 3.38Å; I1054-T1074 CarbonylContact O-C 3.42Å; I1054-T1074 PolarHBondContact O-N 2.97Å; I1054-T1074 PolarHBondContact O-OG1 3.02Å; T1074-L1088 WeakPolarHBondContact CA-O 3.28Å; T1074-S1089 WeakPolarHBondContact CG2-O 3.46Å
1075V74Confident59.1Low1 Ų178.8 Ų78.81%0.00642%0.422CS..EExtended strand (participates in β ladder)trans-131.5140.6-178.9-176.40000110.7S1051 L1053 I1084 L1088 I1097 K1144S1051-V1075 VanDerWaalsContact CB-CG1 3.47Å; S1051-V1075 VanDerWaalsContact OG-CG1 3.29Å; S1051-V1075 WeakPolarHBondContact OG-CG1 3.23Å; L1053-V1075 HydrophobicContact CD1-CG2 3.87Å; V1075-I1084 HydrophobicContact CB-CD1 4.29Å; V1075-I1084 HydrophobicContact CB-CG1 4.45Å; V1075-I1084 HydrophobicContact CG1-CD1 3.62Å; V1075-I1084 HydrophobicContact CG1-CG1 4.2Å; V1075-I1084 PolarHBondContact O-N 3.24Å; V1075-L1088 HydrophobicContact CB-CB 4.33Å; V1075-L1088 HydrophobicContact CB-CD1 4.16Å; V1075-L1088 HydrophobicContact CG1-CD1 4.35Å; V1075-L1088 HydrophobicContact CG2-CB 4.37Å; V1075-L1088 HydrophobicContact CG2-CD1 4.22Å; V1075-L1088 HydrophobicContact CG2-CD2 3.76Å; V1075-L1088 HydrophobicContact CG2-CG 4.31Å; V1075-L1088 PolarHBondContact N-O 3.48Å; V1075-I1097 HydrophobicContact CG1-CD1 4.35Å; V1075-I1097 HydrophobicContact CG2-CD1 3.86Å; V1075-K1144 HydrophobicContact CG1-CD 3.93Å; V1075-K1144 HydrophobicContact CG1-CG 4.33Å
1076Y73.1Confident60Low14 Ų1470.5 Ų70.56%0.05540%0.396CS..EExtended strand (participates in β ladder)trans-121.8126.5176.8-74-121000110.3L1034 L1042 S1051 I1052 I1054 Q1056 L1081 P1083L1034-Y1076 HydrophobicContact CD1-CE1 4.45Å; L1034-Y1076 HydrophobicContact CD2-CD1 3.8Å; L1034-Y1076 HydrophobicContact CD2-CE1 3.94Å; L1042-Y1076 HydrophobicContact CD2-CE1 3.77Å; S1051-Y1076 CarbonylContact C-O 3.57Å; S1051-Y1076 WeakPolarHBondContact CA-O 3.11Å; S1051-Y1076 WeakPolarHBondContact CB-O 3.48Å; I1052-Y1076 PolarHBondContact N-O 3.07Å; I1052-Y1076 PolarHBondContact O-N 3.14Å; I1054-Y1076 HydrophobicContact CB-CD2 3.64Å; I1054-Y1076 HydrophobicContact CB-CE2 3.77Å; I1054-Y1076 HydrophobicContact CD1-CD1 4.17Å; I1054-Y1076 HydrophobicContact CD1-CD2 3.55Å; I1054-Y1076 HydrophobicContact CD1-CE1 4.49Å; I1054-Y1076 HydrophobicContact CD1-CE2 3.92Å; I1054-Y1076 HydrophobicContact CD1-CG 3.68Å; I1054-Y1076 HydrophobicContact CG1-CD2 3.75Å; I1054-Y1076 HydrophobicContact CG1-CE2 4.24Å; I1054-Y1076 HydrophobicContact CG1-CG 4.25Å; I1054-Y1076 HydrophobicContact CG2-CD2 4.22Å; I1054-Y1076 HydrophobicContact CG2-CE2 3.84Å; Q1056-Y1076 PolarHBondContact NE2-OH 2.73Å; Y1076-L1081 WeakPolarHBondContact CD1-O 3.21Å; Y1076-P1083 HydrophobicContact CD1-CB 3.95Å; Y1076-P1083 HydrophobicContact CD2-CB 4.28Å; Y1076-P1083 HydrophobicContact CE1-CB 3.81Å; Y1076-P1083 HydrophobicContact CE1-CG 4.24Å; Y1076-P1083 HydrophobicContact CE2-CB 4.15Å; Y1076-P1083 HydrophobicContact CG-CB 4.2Å
1077S74.6Confident61.2Low28 Ų2862.5 Ų62.520%0.19636%0.362CS..EExtended strand (participates in β ladder)trans-66.1149.2-173.6570000113.6L1081 K1082S1077-L1081 WeakPolarHBondContact O-CA 3.44Å; S1077-L1081 PolarHBondContact O-N 2.77Å; S1077-K1082 PolarHBondContact N-O 3.01Å; S1077-K1082 PolarHBondContact OG-O 3.1Å
1078I67.9Low62.9Low8 Ų857.1 Ų57.14%0.04133%0.329CS..THydrogen-bonded Turntrans-121.9128.8163.4-54.7164000105.9P997 L1003 L1005 S1050 I1052P997-I1078 HydrophobicContact CB-CD1 4.09Å; P997-I1078 HydrophobicContact CG-CD1 3.94Å; L1003-I1078 HydrophobicContact CD1-CG2 3.64Å; L1003-I1078 HydrophobicContact CD2-CG2 3.44Å; L1003-I1078 VanDerWaalsContact CD2-CG2 3.44Å; L1003-I1078 HydrophobicContact CG-CG2 4.19Å; L1005-I1078 HydrophobicContact CD1-CD1 4.13Å; L1005-I1078 HydrophobicContact CD2-CG1 4.4Å; L1005-I1078 HydrophobicContact CD2-CG2 3.95Å; S1050-I1078 PolarHBondContact O-N 3.02Å; I1052-I1078 HydrophobicContact CG1-CD1 3.78Å; I1052-I1078 HydrophobicContact CG1-CG1 3.94Å
1079P63.8Low64.3Low29 Ų2952.2 Ų52.219%0.18830%0.301CS..THydrogen-bonded Turncis-79.4-33.515.4-12.728.7000115.2L1003 A1022 E1031 L1081L1003-P1079 HydrophobicContact CD1-CB 3.69Å; L1003-P1079 HydrophobicContact CD1-CG 3.71Å; A1022-P1079 HydrophobicContact CB-CB 3.7Å; A1022-P1079 WeakPolarHBondContact CB-O 3.38Å; E1031-P1079 HydrophobicContact CB-CB 3.6Å; E1031-P1079 HydrophobicContact CB-CG 4.12Å; E1031-P1079 VanDerWaalsContact OE2-CB 3.27Å; E1031-P1079 WeakPolarHBondContact OE2-CB 3.22Å; E1031-P1079 WeakPolarHBondContact OE2-CG 3.32Å; P1079-L1081 WeakPolarHBondContact O-CD1 3.27Å; P1079-L1081 WeakPolarHBondContact O-CG 3.39Å; P1079-L1081 PolarHBondContact O-N 2.91Å
1080N68.3Low65.2Low78 Ų7854.2 Ų54.242%0.41730%0.298SS..THydrogen-bonded Turntrans-69.9-11.8-154.7-58.214.9000114.5K1082N1080-K1082 PolarHBondContact O-N 3.21Å
1081L71.1Confident66.2Low0 Ų050.6 Ų50.60%028%0.281CS..  trans58.5-0.2174.8-66.6144.7000116.2L1005 I1020 A1022 L1034 I1052 Y1076 S1077 P1079L1005-L1081 HydrophobicContact CD2-CD1 3.86Å; L1005-L1081 HydrophobicContact CD2-CD2 3.93Å; L1005-L1081 HydrophobicContact CD2-CG 4.27Å; I1020-L1081 HydrophobicContact CB-CD1 3.87Å; I1020-L1081 HydrophobicContact CB-CD2 4.24Å; I1020-L1081 HydrophobicContact CD1-CD2 4.27Å; I1020-L1081 HydrophobicContact CG2-CD1 3.65Å; I1020-L1081 HydrophobicContact CG2-CD2 4.06Å; I1020-L1081 HydrophobicContact CG2-CG 4.5Å; I1020-L1081 WeakPolarHBondContact O-CD1 3.37Å; A1022-L1081 HydrophobicContact CB-CD1 3.89Å; L1034-L1081 HydrophobicContact CB-CB 3.34Å; L1034-L1081 HydrophobicContact CD2-CB 4.4Å; L1034-L1081 WeakPolarHBondContact CD2-O 3.26Å; L1034-L1081 HydrophobicContact CG-CB 4.46Å; I1052-L1081 HydrophobicContact CD1-CD2 3.87Å; Y1076-L1081 WeakPolarHBondContact CD1-O 3.21Å; S1077-L1081 WeakPolarHBondContact O-CA 3.44Å; S1077-L1081 PolarHBondContact O-N 2.77Å; P1079-L1081 WeakPolarHBondContact O-CD1 3.27Å; P1079-L1081 WeakPolarHBondContact O-CG 3.39Å; P1079-L1081 PolarHBondContact O-N 2.91Å
1082K73.3Confident66.6Low143 Ų14345.5 Ų45.562%0.62225%0.254SS*.  trans-57.8136166-60.5-177.9-177.4-177.10110.1S1077 N1080S1077-K1082 PolarHBondContact N-O 3.01Å; S1077-K1082 PolarHBondContact OG-O 3.1Å; N1080-K1082 PolarHBondContact O-N 3.21Å
1083P62.5Low66.6Low64 Ų6443.5 Ų43.542%0.41625%0.252SS..BIsolated β-bridgetrans-58.9139167.825.7-33.2000109.6Y1076 S1085Y1076-P1083 HydrophobicContact CD1-CB 3.95Å; Y1076-P1083 HydrophobicContact CD2-CB 4.28Å; Y1076-P1083 HydrophobicContact CE1-CB 3.81Å; Y1076-P1083 HydrophobicContact CE1-CG 4.24Å; Y1076-P1083 HydrophobicContact CE2-CB 4.15Å; Y1076-P1083 HydrophobicContact CG-CB 4.2Å; P1083-S1085 PolarHBondContact O-N 3.14Å
1084I60.1Low66.2Low36 Ų3645.9 Ų45.919%0.18527%0.265CS..  trans-8485-178.3-47-175.2000109.4V1075 G1086 L1088V1075-I1084 HydrophobicContact CB-CD1 4.29Å; V1075-I1084 HydrophobicContact CB-CG1 4.45Å; V1075-I1084 HydrophobicContact CG1-CD1 3.62Å; V1075-I1084 HydrophobicContact CG1-CG1 4.2Å; V1075-I1084 PolarHBondContact O-N 3.24Å; I1084-G1086 WeakPolarHBondContact O-CA 3.34Å; I1084-L1088 HydrophobicContact CB-CB 4.1Å; I1084-L1088 HydrophobicContact CB-CD1 4.09Å; I1084-L1088 HydrophobicContact CD1-CD1 4.07Å; I1084-L1088 HydrophobicContact CG2-CB 4.12Å; I1084-L1088 HydrophobicContact CG2-CD1 3.82Å; I1084-L1088 CarbonylContact O-C 3.28Å; I1084-L1088 WeakPolarHBondContact O-CB 3.46Å
1085S54.2Low66.2Low110 Ų11046.4 Ų46.477%0.76927%0.266SS*.  trans-73.2122.2166.443.40000110.9P1083P1083-S1085 PolarHBondContact O-N 3.14Å
1086G51.3Low66.3Low36 Ų3650.5 Ų50.537%0.37128%0.282SS..SBendcis119.6134-3100000115.8I1084 S1089I1084-G1086 WeakPolarHBondContact O-CA 3.34Å; G1086-S1089 PolarHBondContact O-OG 3.35Å
1087V55.2Low65.9Low37 Ų3750 Ų5022%0.22428%0.28CS..SBendcis60.1-76.64-167.70000115.2S1089 K1090 W1110 I1112 L1147V1087-S1089 PolarHBondContact N-OG 2.88Å; V1087-S1089 PolarHBondContact O-N 2.77Å; V1087-K1090 CarbonylContact O-C 3.59Å; V1087-K1090 PolarHBondContact O-N 3.5Å; V1087-W1110 HydrophobicContact CG1-CZ2 3.67Å; V1087-I1112 HydrophobicContact CG2-CG2 4.47Å; V1087-L1147 HydrophobicContact CB-CD1 4.04Å; V1087-L1147 HydrophobicContact CG1-CB 3.75Å; V1087-L1147 HydrophobicContact CG1-CD1 3.99Å; V1087-L1147 HydrophobicContact CG1-CG 4.5Å
1088L62.4Low65.6Low1 Ų148.7 Ų48.71%0.00527%0.271CS..THydrogen-bonded Turntrans-64.76.8163.8-84.4-176.4000114.6T1074 V1075 I1084 V1091 F1095 K1144 L1147T1074-L1088 WeakPolarHBondContact CA-O 3.28Å; V1075-L1088 HydrophobicContact CB-CB 4.33Å; V1075-L1088 HydrophobicContact CB-CD1 4.16Å; V1075-L1088 HydrophobicContact CG1-CD1 4.35Å; V1075-L1088 HydrophobicContact CG2-CB 4.37Å; V1075-L1088 HydrophobicContact CG2-CD1 4.22Å; V1075-L1088 HydrophobicContact CG2-CD2 3.76Å; V1075-L1088 HydrophobicContact CG2-CG 4.31Å; V1075-L1088 PolarHBondContact N-O 3.48Å; I1084-L1088 HydrophobicContact CB-CB 4.1Å; I1084-L1088 HydrophobicContact CB-CD1 4.09Å; I1084-L1088 HydrophobicContact CD1-CD1 4.07Å; I1084-L1088 HydrophobicContact CG2-CB 4.12Å; I1084-L1088 HydrophobicContact CG2-CD1 3.82Å; I1084-L1088 CarbonylContact O-C 3.28Å; I1084-L1088 WeakPolarHBondContact O-CB 3.46Å; L1088-V1091 HydrophobicContact CD2-CG1 4.47Å; L1088-V1091 HydrophobicContact CD2-CG2 3.37Å; L1088-V1091 HydrophobicContact CG-CG2 4.41Å; L1088-F1095 HydrophobicContact CD2-CE2 4.3Å; L1088-F1095 HydrophobicContact CD2-CZ 4.1Å; L1088-K1144 HydrophobicContact CD1-CG 3.61Å; L1088-K1144 WeakPolarHBondContact CD1-O 3.28Å; L1088-L1147 HydrophobicContact CB-CD1 3.96Å; L1088-L1147 HydrophobicContact CD1-CD1 3.95Å; L1088-L1147 HydrophobicContact CD1-CD2 3.73Å; L1088-L1147 HydrophobicContact CD1-CG 4.4Å; L1088-L1147 HydrophobicContact CD2-CD2 4Å; L1088-L1147 HydrophobicContact CG-CD1 3.51Å; L1088-L1147 HydrophobicContact CG-CD2 3.55Å; L1088-L1147 HydrophobicContact CG-CG 4.14Å
1089S63.1Low64.9Low53 Ų5349.2 Ų49.237%0.37128%0.275SS..THydrogen-bonded Turntrans-77.6-25.9162.153.80000112.7A1073 T1074 G1086 V1087A1073-S1089 CarbonylContact O-C 3.6Å; T1074-S1089 WeakPolarHBondContact CG2-O 3.46Å; G1086-S1089 PolarHBondContact O-OG 3.35Å; V1087-S1089 PolarHBondContact N-OG 2.88Å; V1087-S1089 PolarHBondContact O-N 2.77Å
1090K63.5Low64.6Low138 Ų13848.6 Ų48.660%0.627%0.27SS*.SBendtrans-154107.6177.3-73.2-167.1-179.4177.10111.3Y1072 V1087Y1072-K1090 HydrophobicContact CD1-CB 3.67Å; Y1072-K1090 HydrophobicContact CD2-CB 4.24Å; Y1072-K1090 HydrophobicContact CD2-CD 4.14Å; Y1072-K1090 HydrophobicContact CD2-CG 4.49Å; Y1072-K1090 HydrophobicContact CE1-CB 4.31Å; Y1072-K1090 HydrophobicContact CG-CB 3.63Å; Y1072-K1090 HydrophobicContact CG-CD 4.32Å; Y1072-K1090 HydrophobicContact CG-CG 4.17Å; V1087-K1090 CarbonylContact O-C 3.59Å; V1087-K1090 PolarHBondContact O-N 3.5Å
1091V69.3Low64Low5 Ų544.9 Ų44.93%0.0325%0.25CC..  trans-119.4125.7-169.3-162.40000116.9D1071 Y1072 L1088 F1095 W1110D1071-V1091 CarbonylContact O-C 3.54Å; Y1072-V1091 WeakPolarHBondContact CA-O 3.42Å; L1088-V1091 HydrophobicContact CD2-CG1 4.47Å; L1088-V1091 HydrophobicContact CD2-CG2 3.37Å; L1088-V1091 HydrophobicContact CG-CG2 4.41Å; V1091-F1095 HydrophobicContact CB-CD2 4.34Å; V1091-F1095 HydrophobicContact CB-CE2 4.21Å; V1091-F1095 HydrophobicContact CB-CZ 4.31Å; V1091-F1095 HydrophobicContact CG1-CB 4.47Å; V1091-F1095 HydrophobicContact CG1-CD1 4.36Å; V1091-F1095 HydrophobicContact CG1-CD2 3.31Å; V1091-F1095 HydrophobicContact CG1-CE1 4.39Å; V1091-F1095 HydrophobicContact CG1-CE2 3.33Å; V1091-F1095 HydrophobicContact CG1-CG 3.84Å; V1091-F1095 HydrophobicContact CG1-CZ 3.91Å; V1091-F1095 HydrophobicContact CG2-CE2 4.49Å; V1091-F1095 HydrophobicContact CG2-CZ 4.35Å; V1091-W1110 HydrophobicContact CB-CZ2 4.46Å; V1091-W1110 HydrophobicContact CG1-CH2 3.55Å; V1091-W1110 HydrophobicContact CG1-CZ2 3.54Å; V1091-W1110 HydrophobicContact CG1-CZ3 4.15Å
1092P71.3Confident63.3Low2 Ų250.2 Ų50.21%0.01327%0.27CS..  trans-82.3150.3-17533.6-36.9000116.7Q1070 D1071 Y1072 F1095 W1110Q1070-P1092 HydrophobicContact CB-CB 3.58Å; Q1070-P1092 HydrophobicContact CG-CB 4.23Å; D1071-P1092 VanDerWaalsContact O-CA 3.23Å; D1071-P1092 WeakPolarHBondContact O-CA 3.4Å; Y1072-P1092 HydrophobicContact CE1-CB 4.45Å; P1092-F1095 WeakPolarHBondContact O-CB 3.45Å; P1092-W1110 HydrophobicContact CG-CB 4.1Å; P1092-W1110 VanDerWaalsContact CG-CD1 3.48Å; P1092-W1110 HydrophobicContact CG-CD2 4.04Å; P1092-W1110 HydrophobicContact CG-CG 3.61Å
1093L71.7Confident63.1Low89 Ų8943.4 Ų43.447%0.46624%0.241SC..SBendtrans-80.9159.2-179.6-67.8176.4000114.1D1071 F1095D1071-L1093 HydrophobicContact CB-CD1 3.84Å; D1071-L1093 HydrophobicContact CB-CG 4.13Å; L1093-F1095 HydrophobicContact CD2-CB 4.13Å
1094P67.1Low63.4Low74 Ų7440.4 Ų40.448%0.48122%0.221SC..SBendcis-74.1111.8-4.729.7-34.1000111.4F1163P1094-F1163 HydrophobicContact CB-CD2 4.46Å; P1094-F1163 HydrophobicContact CB-CE2 4.24Å; P1094-F1163 HydrophobicContact CG-CE2 4.09Å
1095F73.8Confident64.2Low29 Ų2938.7 Ų38.713%0.12721%0.212CC..  trans-121.2131.6-178.5173.5-93000109L1053 L1088 V1091 P1092 L1093 I1097 C1104 F1105L1053-F1095 HydrophobicContact CD1-CE1 4.21Å; L1088-F1095 HydrophobicContact CD2-CE2 4.3Å; L1088-F1095 HydrophobicContact CD2-CZ 4.1Å; V1091-F1095 HydrophobicContact CB-CD2 4.34Å; V1091-F1095 HydrophobicContact CB-CE2 4.21Å; V1091-F1095 HydrophobicContact CB-CZ 4.31Å; V1091-F1095 HydrophobicContact CG1-CB 4.47Å; V1091-F1095 HydrophobicContact CG1-CD1 4.36Å; V1091-F1095 HydrophobicContact CG1-CD2 3.31Å; V1091-F1095 HydrophobicContact CG1-CE1 4.39Å; V1091-F1095 HydrophobicContact CG1-CE2 3.33Å; V1091-F1095 HydrophobicContact CG1-CG 3.84Å; V1091-F1095 HydrophobicContact CG1-CZ 3.91Å; V1091-F1095 HydrophobicContact CG2-CE2 4.49Å; V1091-F1095 HydrophobicContact CG2-CZ 4.35Å; P1092-F1095 WeakPolarHBondContact O-CB 3.45Å; L1093-F1095 HydrophobicContact CD2-CB 4.13Å; F1095-I1097 HydrophobicContact CD1-CG1 4.45Å; F1095-I1097 HydrophobicContact CE1-CD1 3.97Å; F1095-I1097 HydrophobicContact CE1-CG1 3.45Å; F1095-I1097 VanDerWaalsContact CE1-CG1 3.45Å; F1095-I1097 HydrophobicContact CZ-CD1 3.82Å; F1095-I1097 HydrophobicContact CZ-CG1 3.5Å; F1095-C1104 HydrophobicContact CD2-CB 3.62Å; F1095-C1104 HydrophobicContact CE2-CB 3.09Å; F1095-C1104 HydrophobicContact CZ-CB 3.88Å; F1095-F1105 WeakPolarHBondContact CA-O 3.3Å
1096Y74.5Confident65.3Low86 Ų8633.5 Ų33.534%0.33718%0.176SC..EExtended strand (participates in β ladder)trans-143.3115.8178.3-177.8-108.6000107.4L1098 F1105 A1165Y1096-L1098 HydrophobicContact CD1-CD2 4.26Å; Y1096-L1098 HydrophobicContact CE1-CD2 4.01Å; Y1096-F1105 HydrophobicContact CD1-CD2 4.32Å; Y1096-F1105 HydrophobicContact CD1-CE2 4.18Å; Y1096-A1165 HydrophobicContact CE1-CB 3.78Å
1097I65.1Low66.4Low4 Ų433.5 Ų33.52%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-78121.5162.2-50.1-163.1000105.9T1048 L1053 V1075 F1095 D1101 K1144T1048-I1097 HydrophobicContact CG2-CB 4.46Å; T1048-I1097 HydrophobicContact CG2-CG2 4Å; L1053-I1097 HydrophobicContact CB-CD1 4.15Å; L1053-I1097 HydrophobicContact CD1-CD1 3.88Å; L1053-I1097 HydrophobicContact CD1-CG1 4.47Å; L1053-I1097 HydrophobicContact CG-CD1 4.46Å; V1075-I1097 HydrophobicContact CG1-CD1 4.35Å; V1075-I1097 HydrophobicContact CG2-CD1 3.86Å; F1095-I1097 HydrophobicContact CD1-CG1 4.45Å; F1095-I1097 HydrophobicContact CE1-CD1 3.97Å; F1095-I1097 HydrophobicContact CE1-CG1 3.45Å; F1095-I1097 VanDerWaalsContact CE1-CG1 3.45Å; F1095-I1097 HydrophobicContact CZ-CD1 3.82Å; F1095-I1097 HydrophobicContact CZ-CG1 3.5Å; I1097-D1101 HydrophobicContact CG2-CB 4.44Å; I1097-D1101 WeakPolarHBondContact CG2-OD1 3.5Å; I1097-K1144 HydrophobicContact CD1-CD 4.18Å
1098L67.8Low66.7Low1 Ų133.9 Ų33.91%0.00517%0.174CC..  trans-56.3154.3170.4-66.6165.5000110.6T1048 Y1096 N1100 D1101 I1103 F1105 A1165 L1187T1048-L1098 WeakPolarHBondContact CB-O 3.36Å; T1048-L1098 WeakPolarHBondContact CG2-O 3.41Å; Y1096-L1098 HydrophobicContact CD1-CD2 4.26Å; Y1096-L1098 HydrophobicContact CE1-CD2 4.01Å; L1098-N1100 HydrophobicContact CB-CB 4.14Å; L1098-N1100 PolarHBondContact O-N 2.62Å; L1098-D1101 PolarHBondContact O-N 2.82Å; L1098-I1103 HydrophobicContact CD1-CB 3.85Å; L1098-I1103 HydrophobicContact CD1-CD1 3.66Å; L1098-I1103 HydrophobicContact CD1-CG1 4.39Å; L1098-F1105 HydrophobicContact CD1-CE2 4.33Å; L1098-F1105 HydrophobicContact CD1-CZ 4.15Å; L1098-F1105 HydrophobicContact CD2-CE2 3.72Å; L1098-F1105 HydrophobicContact CD2-CZ 3.99Å; L1098-F1105 HydrophobicContact CG-CE2 3.81Å; L1098-F1105 HydrophobicContact CG-CZ 4.11Å; L1098-A1165 HydrophobicContact CD2-CB 4.2Å; L1098-L1187 HydrophobicContact CD1-CD1 3.72Å; L1098-L1187 HydrophobicContact CD1-CG 4.5Å; L1098-L1187 HydrophobicContact CD2-CD1 3.36Å; L1098-L1187 HydrophobicContact CG-CD1 4.19Å
1099P54Low66.8Low18 Ų1843.3 Ų43.312%0.11721%0.21CC..THydrogen-bonded Turntrans-43.6-30.5156.9-29.236.2000113T1048 R1049T1048-P1099 CarbonylContact C-O 3.51Å; T1048-P1099 WeakPolarHBondContact CA-O 3.33Å; R1049-P1099 PolarHBondContact N-O 3.13Å
1100N56.5Low67Low16 Ų1641.7 Ų41.79%0.08620%0.195CC..THydrogen-bonded Turntrans-87.7-0.8178.5-75.8-49.7000117.2H999 R1049 L1098 R1102 R1168 G1169H999-N1100 PolarHBondContact CD2-OD1 3.32Å; H999-N1100 VanDerWaalsContact CD2-OD1 3.28Å; R1049-N1100 WeakPolarHBondContact CB-O 3.19Å; L1098-N1100 HydrophobicContact CB-CB 4.14Å; L1098-N1100 PolarHBondContact O-N 2.62Å; N1100-R1102 WeakPolarHBondContact O-CG 3.48Å; N1100-R1102 PolarHBondContact O-N 3.34Å; N1100-R1168 PolarHBondContact ND2-O 3.22Å; N1100-G1169 PolarHBondContact ND2-O 3.07Å
1101D56Low66.7Low0 Ų039.8 Ų39.80%020%0.197CC..  trans58.5-21.1176.6-104.4-69.1000120.3T1048 R1049 S1050 S1051 I1097 L1098 I1103 K1144T1048-D1101 WeakPolarHBondContact CA-OD2 3.38Å; T1048-D1101 VanDerWaalsContact CB-CG 3.48Å; T1048-D1101 WeakPolarHBondContact CB-OD2 3.4Å; T1048-D1101 PolarHBondContact OG1-OD1 3.37Å; T1048-D1101 PolarHBondContact OG1-OD2 2.73Å; R1049-D1101 HydrophobicContact CB-CB 4.12Å; R1049-D1101 PolarHBondContact N-OD2 2.73Å; S1050-D1101 VanDerWaalsContact N-CB 3.34Å; S1050-D1101 VanDerWaalsContact N-CG 3.28Å; S1050-D1101 PolarHBondContact N-OD2 3.34Å; S1050-D1101 WeakPolarHBondContact OG-CB 3.19Å; S1051-D1101 VanDerWaalsContact CB-OD1 3.31Å; S1051-D1101 WeakPolarHBondContact CB-OD1 3.3Å; S1051-D1101 PolarHBondContact N-OD1 3.31Å; S1051-D1101 PolarHBondContact N-OD2 2.75Å; S1051-D1101 PolarHBondContact OG-OD1 2.72Å; I1097-D1101 HydrophobicContact CG2-CB 4.44Å; I1097-D1101 WeakPolarHBondContact CG2-OD1 3.5Å; L1098-D1101 PolarHBondContact O-N 2.82Å; D1101-I1103 PolarHBondContact O-N 3.49Å; D1101-I1103 VanDerWaalsContact O-N 3.14Å; D1101-K1144 VanDerWaalsContact CG-NZ 3.26Å; D1101-K1144 WeakPolarHBondContact O-CB 3.44Å; D1101-K1144 WeakPolarHBondContact OD1-CD 3.43Å; D1101-K1144 WeakPolarHBondContact OD1-CE 3.43Å; D1101-K1144 IonicContact OD1-NZ 3.64Å; D1101-K1144 PolarHBondContact OD1-NZ 2.94Å
1102R56.4Low66Low112 Ų11244 Ų4442%0.42322%0.218SC..SBendtrans-55.1-37.4-171.2-72.9163.4-175.9-166.6-0.9111.6N1100 L1143N1100-R1102 WeakPolarHBondContact O-CG 3.48Å; N1100-R1102 PolarHBondContact O-N 3.34Å; R1102-L1143 WeakPolarHBondContact O-CA 3.46Å; R1102-L1143 WeakPolarHBondContact O-CD2 3.27Å
1103I70.1Confident65.3Low1 Ų151 Ų511%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-126.7130.1-171.4-62116000109.7L1098 D1101 F1105 V1141 R1142 L1187 I1190L1098-I1103 HydrophobicContact CD1-CB 3.85Å; L1098-I1103 HydrophobicContact CD1-CD1 3.66Å; L1098-I1103 HydrophobicContact CD1-CG1 4.39Å; D1101-I1103 PolarHBondContact O-N 3.49Å; D1101-I1103 VanDerWaalsContact O-N 3.14Å; I1103-F1105 HydrophobicContact CB-CE1 4.39Å; I1103-F1105 HydrophobicContact CB-CZ 4.19Å; I1103-F1105 HydrophobicContact CG2-CD1 3.66Å; I1103-F1105 HydrophobicContact CG2-CD2 4.26Å; I1103-F1105 HydrophobicContact CG2-CE1 3.38Å; I1103-F1105 HydrophobicContact CG2-CE2 4.03Å; I1103-F1105 HydrophobicContact CG2-CG 4.08Å; I1103-F1105 HydrophobicContact CG2-CZ 3.58Å; I1103-V1141 HydrophobicContact CG1-CG1 4.02Å; I1103-V1141 HydrophobicContact CG2-CB 4.23Å; I1103-V1141 HydrophobicContact CG2-CG1 3.89Å; I1103-V1141 HydrophobicContact CG2-CG2 3.79Å; I1103-R1142 WeakPolarHBondContact CA-O 3.46Å; I1103-L1187 HydrophobicContact CD1-CB 4.5Å; I1103-L1187 HydrophobicContact CD1-CD2 4.42Å; I1103-I1190 HydrophobicContact CD1-CB 4.06Å; I1103-I1190 HydrophobicContact CD1-CD1 3.45Å; I1103-I1190 VanDerWaalsContact CD1-CD1 3.45Å; I1103-I1190 HydrophobicContact CD1-CG1 4.32Å; I1103-I1190 HydrophobicContact CD1-CG2 3.87Å; I1103-I1190 HydrophobicContact CG1-CB 4.46Å; I1103-I1190 HydrophobicContact CG1-CD1 3.78Å; I1103-I1190 HydrophobicContact CG1-CG2 3.79Å
1104C68Low64.1Low0 Ų053.2 Ų53.20%026%0.262CS..EExtended strand (participates in β ladder)trans-96.8125.9148.843.20000108.7F1095 R1142F1095-C1104 HydrophobicContact CD2-CB 3.62Å; F1095-C1104 HydrophobicContact CE2-CB 3.09Å; F1095-C1104 HydrophobicContact CZ-CB 3.88Å; C1104-R1142 PolarHBondContact N-O 2.68Å; C1104-R1142 PolarHBondContact O-N 2.8Å; C1104-R1142 PolarHBondContact SG-O 2.78Å; C1104-R1142 VanDerWaalsContact SG-O 3.4Å
1105F76.3Confident63.1Low0 Ų057.8 Ų57.80%027%0.274CS..EExtended strand (participates in β ladder)trans-79148.7165.7-48.4-80.2000109.1F1095 Y1096 L1098 I1103 V1139 Q1140 V1141 I1154 F1163 L1172 L1187F1095-F1105 WeakPolarHBondContact CA-O 3.3Å; Y1096-F1105 HydrophobicContact CD1-CD2 4.32Å; Y1096-F1105 HydrophobicContact CD1-CE2 4.18Å; L1098-F1105 HydrophobicContact CD1-CE2 4.33Å; L1098-F1105 HydrophobicContact CD1-CZ 4.15Å; L1098-F1105 HydrophobicContact CD2-CE2 3.72Å; L1098-F1105 HydrophobicContact CD2-CZ 3.99Å; L1098-F1105 HydrophobicContact CG-CE2 3.81Å; L1098-F1105 HydrophobicContact CG-CZ 4.11Å; I1103-F1105 HydrophobicContact CB-CE1 4.39Å; I1103-F1105 HydrophobicContact CB-CZ 4.19Å; I1103-F1105 HydrophobicContact CG2-CD1 3.66Å; I1103-F1105 HydrophobicContact CG2-CD2 4.26Å; I1103-F1105 HydrophobicContact CG2-CE1 3.38Å; I1103-F1105 HydrophobicContact CG2-CE2 4.03Å; I1103-F1105 HydrophobicContact CG2-CG 4.08Å; I1103-F1105 HydrophobicContact CG2-CZ 3.58Å; F1105-V1139 HydrophobicContact CB-CG1 4.32Å; F1105-V1139 HydrophobicContact CD1-CG1 4.34Å; F1105-Q1140 CarbonylContact C-O 3.03Å; F1105-Q1140 WeakPolarHBondContact CA-O 3.27Å; F1105-V1141 HydrophobicContact CD1-CG2 3.64Å; F1105-V1141 HydrophobicContact CE1-CG2 3.73Å; F1105-I1154 HydrophobicContact CD1-CD1 4.27Å; F1105-I1154 HydrophobicContact CE1-CD1 4.2Å; F1105-F1163 HydrophobicContact CB-CD1 4.38Å; F1105-F1163 HydrophobicContact CB-CD2 3.57Å; F1105-F1163 HydrophobicContact CB-CE1 4.23Å; F1105-F1163 HydrophobicContact CB-CE2 3.37Å; F1105-F1163 HydrophobicContact CB-CG 4.1Å; F1105-F1163 HydrophobicContact CB-CZ 3.75Å; F1105-F1163 HydrophobicContact CD1-CD1 4.46Å; F1105-F1163 HydrophobicContact CD1-CE1 4.5Å; F1105-F1163 HydrophobicContact CD2-CD2 4.43Å; F1105-F1163 HydrophobicContact CD2-CG 4.38Å; F1105-F1163 HydrophobicContact CG-CD1 4.3Å; F1105-F1163 HydrophobicContact CG-CD2 4.09Å; F1105-F1163 HydrophobicContact CG-CE1 4.47Å; F1105-F1163 HydrophobicContact CG-CE2 4.25Å; F1105-F1163 HydrophobicContact CG-CG 4.14Å; F1105-F1163 HydrophobicContact CG-CZ 4.46Å; F1105-L1172 HydrophobicContact CD1-CD2 4.1Å; F1105-L1172 HydrophobicContact CE1-CD1 4.41Å; F1105-L1172 HydrophobicContact CE1-CD2 3.55Å; F1105-L1172 HydrophobicContact CE2-CD1 4.27Å; F1105-L1172 HydrophobicContact CZ-CD1 4.08Å; F1105-L1172 HydrophobicContact CZ-CD2 3.96Å; F1105-L1172 HydrophobicContact CZ-CG 4.47Å; F1105-L1187 HydrophobicContact CE1-CD2 3.85Å; F1105-L1187 HydrophobicContact CZ-CD1 4.37Å; F1105-L1187 HydrophobicContact CZ-CD2 3.57Å
1106G77.2Confident61.8Low2 Ų260.5 Ų60.52%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-154.7164175.800000112.8Q1140G1106-Q1140 PolarHBondContact N-O 2.91Å; G1106-Q1140 WeakPolarHBondContact O-CB 3.47Å; G1106-Q1140 PolarHBondContact O-N 2.61Å
1107P74.6Confident60.7Low36 Ų3660.8 Ų60.823%0.23431%0.308CS..  trans-74.3157.3175.132.9-35.3000111.1R1109 Q1140P1107-R1109 PolarHBondContact O-N 3.24Å; P1107-Q1140 WeakPolarHBondContact O-CG 3.37Å; P1107-Q1140 PolarHBondContact O-NE2 3.3Å; P1107-Q1140 PolarHBondContact O-OE1 3.05Å
1108S61.9Low59.8Low45 Ų4566 Ų6632%0.31534%0.34SS..SBendtrans-59-9.9-178.455.90000115.9Q1140S1108-Q1140 PolarHBondContact O-NE2 2.88Å
1109R65.5Low59Low199 Ų19972.9 Ų72.975%0.75137%0.372SS*.  trans-128.479.2-175.7-61.8179.4177.6-178.9-2.7112.4P1107P1107-R1109 PolarHBondContact O-N 3.24Å
1110W66.9Low58.4Low18 Ų1876.7 Ų76.77%0.06839%0.387CS..  trans-116.8113.5174.2166.911.9000110.3V1087 V1091 P1092 R1142 L1147V1087-W1110 HydrophobicContact CG1-CZ2 3.67Å; V1091-W1110 HydrophobicContact CB-CZ2 4.46Å; V1091-W1110 HydrophobicContact CG1-CH2 3.55Å; V1091-W1110 HydrophobicContact CG1-CZ2 3.54Å; V1091-W1110 HydrophobicContact CG1-CZ3 4.15Å; P1092-W1110 HydrophobicContact CG-CB 4.1Å; P1092-W1110 VanDerWaalsContact CG-CD1 3.48Å; P1092-W1110 HydrophobicContact CG-CD2 4.04Å; P1092-W1110 HydrophobicContact CG-CG 3.61Å; W1110-R1142 VanDerWaalsContact CG-NH1 3.29Å; W1110-R1142 HydrophobicContact CZ3-CB 4.42Å; W1110-R1142 VanDerWaalsContact CZ3-CD 3.44Å; W1110-R1142 HydrophobicContact CZ3-CG 4.47Å; W1110-L1147 HydrophobicContact CH2-CB 4.35Å; W1110-L1147 HydrophobicContact CH2-CD2 4.02Å
1111P57.8Low57.9Low99 Ų9984.2 Ų84.264%0.64342%0.418SS*.  trans-96.2173.1-167.138.2-38.6000116.5
1112I54.1Low57.4Low93 Ų9395.3 Ų95.348%0.47746%0.46SS..  trans-141.3148.7-176.7-51.7161.2000109.7V1087 N1148V1087-I1112 HydrophobicContact CG2-CG2 4.47Å; I1112-N1148 HydrophobicContact CD1-CB 4.02Å; I1112-N1148 VanDerWaalsContact CD1-OD1 3.29Å; I1112-N1148 WeakPolarHBondContact CD1-OD1 3.02Å
1113Q55.1Low57.1Low150 Ų15097 Ų9770%0.70147%0.47SS*.  trans-105146.2179.9-64.8-173.7-0.900113.8
1114I47.4Very low55.8Low134 Ų134103.6 Ų103.669%0.68750%0.502SS*.  trans-129.1119.7175.6-55.6172.5000109.2K1120I1114-K1120 WeakPolarHBondContact O-CE 3.41Å; I1114-K1120 PolarHBondContact O-NZ 3.41Å; I1114-K1120 VanDerWaalsContact O-NZ 3.14Å
1115K45.8Very low54.4Low171 Ų171112.4 Ų112.474%0.74354%0.543SS*.  trans-130.12.3-148.7-127.7169.1-178.9167.10119.8
1116T46.7Very low52.5Low86 Ų86119.8 Ų119.853%0.52858%0.582SS.*  trans-112.8138.6173.839.90000111.9
1117S51.7Low50.8Low92 Ų92123.8 Ų123.864%0.64361%0.61SS**Hα-helixtrans-84.5-27.2-167.845.60000114.8K1121S1117-K1121 PolarHBondContact O-N 3.13Å; S1117-K1121 VanDerWaalsContact O-N 3.13Å
1118V46.8Very low49.2Very low114 Ų114131.1 Ų131.169%0.69164%0.641SS**Hα-helixtrans-77.3-37.1179.8-178.80000112.1K1120 K1121 R1122V1118-K1120 VanDerWaalsContact C-N 3.31Å; V1118-K1120 PolarHBondContact O-N 3.42Å; V1118-K1121 PolarHBondContact O-N 3.31Å; V1118-K1121 VanDerWaalsContact O-N 3.15Å; V1118-R1122 PolarHBondContact O-N 3.22Å; V1118-R1122 VanDerWaalsContact O-N 3.1Å
1119E50.5Low48.4Very low145 Ų145136.7 Ų136.768%0.67867%0.667SS**Hα-helixtrans-67.2-32.7171.9-69.2-164.3135.600112.1R1122 K1123E1119-R1122 CarbonylContact O-C 3.55Å; E1119-R1122 PolarHBondContact O-N 2.93Å; E1119-R1122 VanDerWaalsContact O-N 3.15Å; E1119-K1123 PolarHBondContact O-N 3.12Å
1120K41.1Very low47.2Very low98 Ų98136.6 Ų136.643%0.42668%0.675SS.*Hα-helixtrans-59.1-47.5167.6-75.8-175.6-178.9177.60111I1114 V1118 R1122 K1123 Q1124I1114-K1120 WeakPolarHBondContact O-CE 3.41Å; I1114-K1120 PolarHBondContact O-NZ 3.41Å; I1114-K1120 VanDerWaalsContact O-NZ 3.14Å; V1118-K1120 VanDerWaalsContact C-N 3.31Å; V1118-K1120 PolarHBondContact O-N 3.42Å; K1120-R1122 PolarHBondContact O-N 2.85Å; K1120-R1122 VanDerWaalsContact O-N 3.16Å; K1120-K1123 CarbonylContact O-C 3.59Å; K1120-K1123 PolarHBondContact O-N 2.85Å; K1120-Q1124 WeakPolarHBondContact O-CB 3.39Å; K1120-Q1124 VanDerWaalsContact O-CG 3.28Å; K1120-Q1124 WeakPolarHBondContact O-CG 3.29Å; K1120-Q1124 PolarHBondContact O-N 2.85Å; K1120-Q1124 PolarHBondContact O-OE1 3.46Å
1121K46.8Very low46.1Very low173 Ų173143.7 Ų143.775%0.75271%0.714SS**Hα-helixtrans-60.3-24.1174.5-77.7-164.6172.8-172.20114.3S1117 V1118S1117-K1121 PolarHBondContact O-N 3.13Å; S1117-K1121 VanDerWaalsContact O-N 3.13Å; V1118-K1121 PolarHBondContact O-N 3.31Å; V1118-K1121 VanDerWaalsContact O-N 3.15Å
1122R45.6Very low45.7Very low234 Ų234148.8 Ų148.888%0.88373%0.726SS**Hα-helixtrans-91.4-3.7172.5-105.2-175.2177.8179.60.1115.9V1118 E1119 K1120V1118-R1122 PolarHBondContact O-N 3.22Å; V1118-R1122 VanDerWaalsContact O-N 3.1Å; E1119-R1122 CarbonylContact O-C 3.55Å; E1119-R1122 PolarHBondContact O-N 2.93Å; E1119-R1122 VanDerWaalsContact O-N 3.15Å; K1120-R1122 PolarHBondContact O-N 2.85Å; K1120-R1122 VanDerWaalsContact O-N 3.16Å
1123K49.5Very low45.6Very low146 Ų146153.4 Ų153.464%0.63575%0.745SS**Hα-helixtrans-121.2-8.9170.2-81.1-160.5171.8-170.90115.9E1119 K1120 Q1125 N1126 S1127E1119-K1123 PolarHBondContact O-N 3.12Å; K1120-K1123 CarbonylContact O-C 3.59Å; K1120-K1123 PolarHBondContact O-N 2.85Å; K1123-Q1125 PolarHBondContact O-N 2.94Å; K1123-N1126 CarbonylContact O-C 3.5Å; K1123-N1126 PolarHBondContact O-N 3.38Å; K1123-S1127 PolarHBondContact O-N 2.99Å; K1123-S1127 PolarHBondContact O-OG 3.25Å
1124Q43.2Very low45Very low141 Ų141153.1 Ų153.166%0.65975%0.747SS**THydrogen-bonded Turntrans-65.74.9172.1-80.6175.4-7000114.7K1120K1120-Q1124 WeakPolarHBondContact O-CB 3.39Å; K1120-Q1124 VanDerWaalsContact O-CG 3.28Å; K1120-Q1124 WeakPolarHBondContact O-CG 3.29Å; K1120-Q1124 PolarHBondContact O-N 2.85Å; K1120-Q1124 PolarHBondContact O-OE1 3.46Å
1125Q37.4Very low45.5Very low184 Ų184153 Ų15386%0.8675%0.748SS**THydrogen-bonded Turntrans-119.213.9165.8-79.3-173.3-36.600113.9K1123K1123-Q1125 PolarHBondContact O-N 2.94Å
1126N36.9Very low46.3Very low156 Ų156150 Ų15083%0.83474%0.74SS**SBendtrans-155.339.4174.7-106-36.8000113.5K1123K1123-N1126 CarbonylContact O-C 3.5Å; K1123-N1126 PolarHBondContact O-N 3.38Å
1127S41.3Very low47.1Very low86 Ų86150.1 Ų150.160%0.60174%0.737SS**  trans-150.684.3172.267.60000112.7K1123K1123-S1127 PolarHBondContact O-N 2.99Å; K1123-S1127 PolarHBondContact O-OG 3.25Å
1128Q41.9Very low48.1Very low190 Ų190146.5 Ų146.589%0.88871%0.712SS**  trans-144.2-14.4172.1-122173.8-3.100117.6
1129D43.7Very low49.4Very low162 Ų162141.3 Ų141.387%0.86668%0.681SS**SBendtrans-105.6-3-164.4-77.5-48000119.4
1130E40.4Very low50.5Low196 Ų196134.7 Ų134.792%0.91665%0.65SS**SBendtrans-12473.2179.1-71.5-159.8136.600114
1131L44.8Very low52.1Low167 Ų167130 Ų13087%0.87463%0.629SS**  trans-153.935.2-177.6-124.4171000116.9
1132K50.1Low52.9Low207 Ų207122.4 Ų122.490%0.960%0.596SS**  trans-122-9.5-165.1-101.2-179.6177.7175.30122.4
1133E50.6Low54Low190 Ų190113.6 Ų113.689%0.88857%0.566SS**  trans-139113.8179-67.5-160.5147.800116.1
1134I43.6Very low54.6Low144 Ų144106.7 Ų106.774%0.73854%0.536SS*.  trans-146.7148.3167.5-60.4-175.8000109.5W1153I1134-W1153 HydrophobicContact CG2-CH2 3.76Å; I1134-W1153 HydrophobicContact CG2-CZ2 3.61Å
1135N57.1Low55.2Low131 Ų131105.7 Ų105.770%0.70154%0.535SS*.  trans-121.5154.4-169.2-157-28.5000114.3S1138N1135-S1138 PolarHBondContact O-OG 3.49Å
1136N62.3Low56.4Low108 Ų10899 Ų9958%0.57851%0.507SS*.SBendtrans-90.7-21.7-152.4-81.1-35.3000119.1S1138N1136-S1138 PolarHBondContact O-N 3.41Å; N1136-S1138 PolarHBondContact O-OG 3.08Å
1137N64Low57.3Low89 Ų8992.5 Ų92.548%0.47647%0.472SS..SBendtrans-80.545.2-170.6-75.3-10.7000113.3A1159N1137-A1159 HydrophobicContact CB-CB 4.46Å
1138S72.2Confident57.9Low15 Ų1592.9 Ų92.911%0.10547%0.467CS..  trans-146.4114.7-147.6580000111.1N1135 N1136 W1153N1135-S1138 PolarHBondContact O-OG 3.49Å; N1136-S1138 PolarHBondContact O-N 3.41Å; N1136-S1138 PolarHBondContact O-OG 3.08Å; S1138-W1153 WeakPolarHBondContact OG-CZ3 3.42Å
1139V74.5Confident58.6Low6 Ų689.3 Ų89.34%0.03645%0.454CS..EExtended strand (participates in β ladder)trans-74.6136.3170.6-178.20000108.2F1105 V1141 W1153 I1154 P1160 F1163 I1174F1105-V1139 HydrophobicContact CB-CG1 4.32Å; F1105-V1139 HydrophobicContact CD1-CG1 4.34Å; V1139-V1141 VanDerWaalsContact C-N 3.34Å; V1139-V1141 PolarHBondContact O-N 2.64Å; V1139-W1153 VanDerWaalsContact O-CA 3.29Å; V1139-W1153 WeakPolarHBondContact O-CA 3.22Å; V1139-I1154 HydrophobicContact CB-CB 3.93Å; V1139-I1154 HydrophobicContact CB-CD1 4.12Å; V1139-I1154 HydrophobicContact CB-CG1 4.21Å; V1139-I1154 HydrophobicContact CG1-CD1 4.26Å; V1139-I1154 HydrophobicContact CG2-CB 4.04Å; V1139-I1154 HydrophobicContact CG2-CD1 4.22Å; V1139-I1154 PolarHBondContact O-N 2.67Å; V1139-I1154 VanDerWaalsContact O-N 3.14Å; V1139-P1160 HydrophobicContact CG2-CB 3.65Å; V1139-P1160 HydrophobicContact CG2-CG 3.56Å; V1139-F1163 HydrophobicContact CB-CE1 4.43Å; V1139-F1163 HydrophobicContact CB-CZ 4.44Å; V1139-F1163 HydrophobicContact CG1-CE1 3.69Å; V1139-F1163 HydrophobicContact CG1-CZ 3.45Å; V1139-F1163 VanDerWaalsContact CG1-CZ 3.45Å; V1139-F1163 HydrophobicContact CG2-CE1 3.82Å; V1139-F1163 HydrophobicContact CG2-CZ 4.13Å; V1139-I1174 HydrophobicContact CG2-CD1 4.29Å
1140Q73.3Confident59.4Low6 Ų682.9 Ų82.93%0.02842%0.421CS..EExtended strand (participates in β ladder)trans-71.397.6160.6-59.7-168.7-15.300108.2F1105 G1106 P1107 S1108 R1142 V1150 W1153F1105-Q1140 CarbonylContact C-O 3.03Å; F1105-Q1140 WeakPolarHBondContact CA-O 3.27Å; G1106-Q1140 PolarHBondContact N-O 2.91Å; G1106-Q1140 WeakPolarHBondContact O-CB 3.47Å; G1106-Q1140 PolarHBondContact O-N 2.61Å; P1107-Q1140 WeakPolarHBondContact O-CG 3.37Å; P1107-Q1140 PolarHBondContact O-NE2 3.3Å; P1107-Q1140 PolarHBondContact O-OE1 3.05Å; S1108-Q1140 PolarHBondContact O-NE2 2.88Å; Q1140-R1142 HydrophobicContact CB-CG 4.3Å; Q1140-R1142 PolarHBondContact O-N 3.44Å; Q1140-V1150 HydrophobicContact CB-CG1 4.12Å; Q1140-V1150 HydrophobicContact CB-CG2 4.07Å; Q1140-V1150 HydrophobicContact CG-CG1 4.28Å; Q1140-V1150 HydrophobicContact CG-CG2 3.57Å; Q1140-W1153 HydrophobicContact CG-CE3 4.49Å; Q1140-W1153 HydrophobicContact CG-CH2 4.45Å; Q1140-W1153 HydrophobicContact CG-CZ3 3.88Å
1141V75.3Confident60.3Low0 Ų075.6 Ų75.60%039%0.388CS..EExtended strand (participates in β ladder)trans-78.7102152.5154.60000105.1I1103 F1105 V1139 L1151 A1152 I1154 I1190 I1198I1103-V1141 HydrophobicContact CG1-CG1 4.02Å; I1103-V1141 HydrophobicContact CG2-CB 4.23Å; I1103-V1141 HydrophobicContact CG2-CG1 3.89Å; I1103-V1141 HydrophobicContact CG2-CG2 3.79Å; F1105-V1141 HydrophobicContact CD1-CG2 3.64Å; F1105-V1141 HydrophobicContact CE1-CG2 3.73Å; V1139-V1141 VanDerWaalsContact C-N 3.34Å; V1139-V1141 PolarHBondContact O-N 2.64Å; V1141-L1151 HydrophobicContact CG1-CD2 3.9Å; V1141-L1151 WeakPolarHBondContact O-CB 3.13Å; V1141-L1151 PolarHBondContact O-N 3.29Å; V1141-A1152 CarbonylContact C-O 3.27Å; V1141-A1152 WeakPolarHBondContact CA-O 3.15Å; V1141-A1152 WeakPolarHBondContact CB-O 3.33Å; V1141-A1152 HydrophobicContact CG1-CB 4.41Å; V1141-A1152 PolarHBondContact N-O 3.33Å; V1141-A1152 VanDerWaalsContact N-O 3.07Å; V1141-A1152 PolarHBondContact O-N 3.32Å; V1141-I1154 HydrophobicContact CB-CG1 4.41Å; V1141-I1154 HydrophobicContact CG2-CD1 3.54Å; V1141-I1154 HydrophobicContact CG2-CG1 3.52Å; V1141-I1190 HydrophobicContact CG1-CD1 4.07Å; V1141-I1190 HydrophobicContact CG1-CG1 4.28Å; V1141-I1190 HydrophobicContact CG1-CG2 3.66Å; V1141-I1190 HydrophobicContact CG2-CD1 3.97Å; V1141-I1198 HydrophobicContact CB-CD1 4.15Å; V1141-I1198 HydrophobicContact CG1-CD1 4.2Å; V1141-I1198 HydrophobicContact CG2-CD1 4.28Å
1142R64.1Low61Low13 Ų1367.8 Ų67.85%0.04935%0.347CS..EExtended strand (participates in β ladder)trans-93.2141.2167.2-83.9175.5166.8169.83.4107.1I1103 C1104 W1110 Q1140 T1146 L1147 N1148 D1149I1103-R1142 WeakPolarHBondContact CA-O 3.46Å; C1104-R1142 PolarHBondContact N-O 2.68Å; C1104-R1142 PolarHBondContact O-N 2.8Å; C1104-R1142 PolarHBondContact SG-O 2.78Å; C1104-R1142 VanDerWaalsContact SG-O 3.4Å; W1110-R1142 VanDerWaalsContact CG-NH1 3.29Å; W1110-R1142 HydrophobicContact CZ3-CB 4.42Å; W1110-R1142 VanDerWaalsContact CZ3-CD 3.44Å; W1110-R1142 HydrophobicContact CZ3-CG 4.47Å; Q1140-R1142 HydrophobicContact CB-CG 4.3Å; Q1140-R1142 PolarHBondContact O-N 3.44Å; R1142-T1146 WeakPolarHBondContact CB-O 3.34Å; R1142-L1147 WeakPolarHBondContact CD-O 3.41Å; R1142-L1147 PolarHBondContact NE-O 2.79Å; R1142-L1147 VanDerWaalsContact NE-O 3.08Å; R1142-L1147 PolarHBondContact NH1-O 3Å; R1142-N1148 PolarHBondContact NH2-O 3.19Å; R1142-D1149 WeakPolarHBondContact CG-O 3.47Å; R1142-D1149 PolarHBondContact NE-O 3.07Å
1143L67.5Low62.2Low48 Ų4860.5 Ų60.525%0.25131%0.314SS..EExtended strand (participates in β ladder)trans-66.6147.2158.4-67.8176.7000105.5R1102 N1145 T1146 L1151R1102-L1143 WeakPolarHBondContact O-CA 3.46Å; R1102-L1143 WeakPolarHBondContact O-CD2 3.27Å; L1143-N1145 HydrophobicContact CB-CB 4.02Å; L1143-N1145 HydrophobicContact CD1-CB 4.3Å; L1143-N1145 PolarHBondContact O-N 3.22Å; L1143-T1146 WeakPolarHBondContact CB-OG1 3.1Å; L1143-T1146 CarbonylContact O-C 3.31Å; L1143-T1146 PolarHBondContact O-N 3.38Å; L1143-L1151 HydrophobicContact CD1-CD1 3.84Å; L1143-L1151 HydrophobicContact CD1-CD2 4.47Å; L1143-L1151 HydrophobicContact CD2-CD1 4.29Å; L1143-L1151 HydrophobicContact CD2-CD2 3.42Å; L1143-L1151 VanDerWaalsContact CD2-CD2 3.42Å; L1143-L1151 HydrophobicContact CD2-CG 4.32Å; L1143-L1151 HydrophobicContact CG-CB 4.1Å; L1143-L1151 HydrophobicContact CG-CD1 3.76Å; L1143-L1151 HydrophobicContact CG-CD2 3.56Å; L1143-L1151 HydrophobicContact CG-CG 3.96Å
1144K62.8Low63.3Low2 Ų251.5 Ų51.51%0.00927%0.272CS..THydrogen-bonded Turntrans-57.8-12.1160.3-162.8-165.578.5-146.60112.6S1050 S1051 V1075 L1088 I1097 D1101S1050-K1144 PolarHBondContact O-NZ 2.84Å; S1050-K1144 PolarHBondContact OG-NZ 2.9Å; S1051-K1144 VanDerWaalsContact CB-CE 3.47Å; S1051-K1144 VanDerWaalsContact CB-NZ 3.3Å; S1051-K1144 VanDerWaalsContact OG-CD 3.31Å; S1051-K1144 WeakPolarHBondContact OG-CD 3.21Å; V1075-K1144 HydrophobicContact CG1-CD 3.93Å; V1075-K1144 HydrophobicContact CG1-CG 4.33Å; L1088-K1144 HydrophobicContact CD1-CG 3.61Å; L1088-K1144 WeakPolarHBondContact CD1-O 3.28Å; I1097-K1144 HydrophobicContact CD1-CD 4.18Å; D1101-K1144 VanDerWaalsContact CG-NZ 3.26Å; D1101-K1144 WeakPolarHBondContact O-CB 3.44Å; D1101-K1144 WeakPolarHBondContact OD1-CD 3.43Å; D1101-K1144 WeakPolarHBondContact OD1-CE 3.43Å; D1101-K1144 IonicContact OD1-NZ 3.64Å; D1101-K1144 PolarHBondContact OD1-NZ 2.94Å
1145N56.2Low64.5Low119 Ų11950.8 Ų50.864%0.63626%0.264SS*.THydrogen-bonded Turntrans-99.5-12.7177.1-5614.4000113.5L1143L1143-N1145 HydrophobicContact CB-CB 4.02Å; L1143-N1145 HydrophobicContact CD1-CB 4.3Å; L1143-N1145 PolarHBondContact O-N 3.22Å
1146T61.1Low65.2Low44 Ų4444.7 Ų44.727%0.2723%0.231SC..BIsolated β-bridgetrans-140107.1176.852.30000110.2R1142 L1143R1142-T1146 WeakPolarHBondContact CB-O 3.34Å; L1143-T1146 WeakPolarHBondContact CB-OG1 3.1Å; L1143-T1146 CarbonylContact O-C 3.31Å; L1143-T1146 PolarHBondContact O-N 3.38Å
1147L55.7Low65.9Low20 Ų2042.6 Ų42.611%0.10522%0.224CC..SBendtrans-111.9-10.2-162.1-50.5166.2000113.3V1087 L1088 W1110 R1142V1087-L1147 HydrophobicContact CB-CD1 4.04Å; V1087-L1147 HydrophobicContact CG1-CB 3.75Å; V1087-L1147 HydrophobicContact CG1-CD1 3.99Å; V1087-L1147 HydrophobicContact CG1-CG 4.5Å; L1088-L1147 HydrophobicContact CB-CD1 3.96Å; L1088-L1147 HydrophobicContact CD1-CD1 3.95Å; L1088-L1147 HydrophobicContact CD1-CD2 3.73Å; L1088-L1147 HydrophobicContact CD1-CG 4.4Å; L1088-L1147 HydrophobicContact CD2-CD2 4Å; L1088-L1147 HydrophobicContact CG-CD1 3.51Å; L1088-L1147 HydrophobicContact CG-CD2 3.55Å; L1088-L1147 HydrophobicContact CG-CG 4.14Å; W1110-L1147 HydrophobicContact CH2-CB 4.35Å; W1110-L1147 HydrophobicContact CH2-CD2 4.02Å; R1142-L1147 WeakPolarHBondContact CD-O 3.41Å; R1142-L1147 PolarHBondContact NE-O 2.79Å; R1142-L1147 VanDerWaalsContact NE-O 3.08Å; R1142-L1147 PolarHBondContact NH1-O 3Å
1148N54.1Low66.3Low94 Ų9439.9 Ų39.950%0.50321%0.209SC..SBendtrans-105.8-51.8179.9-59.31.7000107.9I1112 R1142I1112-N1148 HydrophobicContact CD1-CB 4.02Å; I1112-N1148 VanDerWaalsContact CD1-OD1 3.29Å; I1112-N1148 WeakPolarHBondContact CD1-OD1 3.02Å; R1142-N1148 PolarHBondContact NH2-O 3.19Å
1149D58Low66.5Low114 Ų11439.8 Ų39.861%0.6121%0.209SC*.SBendtrans-59.9143.9162.2-63.4-42.7000110.7R1142R1142-D1149 WeakPolarHBondContact CG-O 3.47Å; R1142-D1149 PolarHBondContact NE-O 3.07Å
1150V59.3Low66.8Low27 Ų2740.8 Ų40.816%0.16422%0.216CC..  trans-88.9100.4158.8178.80000106Q1140 A1152 W1153Q1140-V1150 HydrophobicContact CB-CG1 4.12Å; Q1140-V1150 HydrophobicContact CB-CG2 4.07Å; Q1140-V1150 HydrophobicContact CG-CG1 4.28Å; Q1140-V1150 HydrophobicContact CG-CG2 3.57Å; V1150-A1152 VanDerWaalsContact CG1-O 3.3Å; V1150-A1152 WeakPolarHBondContact CG1-O 3.49Å; V1150-A1152 PolarHBondContact O-N 2.63Å; V1150-A1152 VanDerWaalsContact O-N 3.11Å; V1150-W1153 HydrophobicContact CB-CD2 4.25Å; V1150-W1153 HydrophobicContact CB-CH2 4.39Å; V1150-W1153 HydrophobicContact CB-CZ2 4Å; V1150-W1153 HydrophobicContact CG1-CD2 3.6Å; V1150-W1153 HydrophobicContact CG1-CE3 3.76Å; V1150-W1153 HydrophobicContact CG1-CG 4.04Å; V1150-W1153 HydrophobicContact CG1-CH2 4.46Å; V1150-W1153 HydrophobicContact CG1-CZ2 4.24Å; V1150-W1153 HydrophobicContact CG1-CZ3 4.22Å; V1150-W1153 HydrophobicContact CG2-CH2 3.81Å; V1150-W1153 HydrophobicContact CG2-CZ2 3.82Å; V1150-W1153 HydrophobicContact CG2-CZ3 4.15Å
1151L58.9Low66.9Low44 Ų4443.3 Ų43.323%0.2324%0.237CC..SBendtrans-40.7-52.8179.7165.478.7000110.6V1141 L1143 I1190V1141-L1151 HydrophobicContact CG1-CD2 3.9Å; V1141-L1151 WeakPolarHBondContact O-CB 3.13Å; V1141-L1151 PolarHBondContact O-N 3.29Å; L1143-L1151 HydrophobicContact CD1-CD1 3.84Å; L1143-L1151 HydrophobicContact CD1-CD2 4.47Å; L1143-L1151 HydrophobicContact CD2-CD1 4.29Å; L1143-L1151 HydrophobicContact CD2-CD2 3.42Å; L1143-L1151 VanDerWaalsContact CD2-CD2 3.42Å; L1143-L1151 HydrophobicContact CD2-CG 4.32Å; L1143-L1151 HydrophobicContact CG-CB 4.1Å; L1143-L1151 HydrophobicContact CG-CD1 3.76Å; L1143-L1151 HydrophobicContact CG-CD2 3.56Å; L1143-L1151 HydrophobicContact CG-CG 3.96Å; L1151-I1190 HydrophobicContact CD2-CG2 3.67Å
1152A61.1Low66.9Low2 Ų245.7 Ų45.72%0.01725%0.249CC..EExtended strand (participates in β ladder)trans-149.2139.9175.500000108V1141 V1150 I1195 R1196 I1198V1141-A1152 CarbonylContact C-O 3.27Å; V1141-A1152 WeakPolarHBondContact CA-O 3.15Å; V1141-A1152 WeakPolarHBondContact CB-O 3.33Å; V1141-A1152 HydrophobicContact CG1-CB 4.41Å; V1141-A1152 PolarHBondContact N-O 3.33Å; V1141-A1152 VanDerWaalsContact N-O 3.07Å; V1141-A1152 PolarHBondContact O-N 3.32Å; V1150-A1152 VanDerWaalsContact CG1-O 3.3Å; V1150-A1152 WeakPolarHBondContact CG1-O 3.49Å; V1150-A1152 PolarHBondContact O-N 2.63Å; V1150-A1152 VanDerWaalsContact O-N 3.11Å; A1152-I1195 VanDerWaalsContact CB-O 3.3Å; A1152-I1195 WeakPolarHBondContact CB-O 3.4Å; A1152-R1196 CarbonylContact C-O 3.44Å; A1152-R1196 WeakPolarHBondContact CA-O 3.45Å; A1152-I1198 HydrophobicContact CB-CD1 3.43Å; A1152-I1198 VanDerWaalsContact CB-CD1 3.43Å; A1152-I1198 HydrophobicContact CB-CG1 4.13Å
1153W75Confident67.7Low55 Ų5547 Ų4721%0.20826%0.256CS..EExtended strand (participates in β ladder)trans-75.1134.4161.6-5895.7000107I1134 S1138 V1139 Q1140 V1150 K1155 R1196 T1197 I1198I1134-W1153 HydrophobicContact CG2-CH2 3.76Å; I1134-W1153 HydrophobicContact CG2-CZ2 3.61Å; S1138-W1153 WeakPolarHBondContact OG-CZ3 3.42Å; V1139-W1153 VanDerWaalsContact O-CA 3.29Å; V1139-W1153 WeakPolarHBondContact O-CA 3.22Å; Q1140-W1153 HydrophobicContact CG-CE3 4.49Å; Q1140-W1153 HydrophobicContact CG-CH2 4.45Å; Q1140-W1153 HydrophobicContact CG-CZ3 3.88Å; V1150-W1153 HydrophobicContact CB-CD2 4.25Å; V1150-W1153 HydrophobicContact CB-CH2 4.39Å; V1150-W1153 HydrophobicContact CB-CZ2 4Å; V1150-W1153 HydrophobicContact CG1-CD2 3.6Å; V1150-W1153 HydrophobicContact CG1-CE3 3.76Å; V1150-W1153 HydrophobicContact CG1-CG 4.04Å; V1150-W1153 HydrophobicContact CG1-CH2 4.46Å; V1150-W1153 HydrophobicContact CG1-CZ2 4.24Å; V1150-W1153 HydrophobicContact CG1-CZ3 4.22Å; V1150-W1153 HydrophobicContact CG2-CH2 3.81Å; V1150-W1153 HydrophobicContact CG2-CZ2 3.82Å; V1150-W1153 HydrophobicContact CG2-CZ3 4.15Å; W1153-K1155 VanDerWaalsContact C-N 3.29Å; W1153-K1155 PolarHBondContact O-N 2.8Å; W1153-R1196 PolarHBondContact N-O 2.94Å; W1153-T1197 CarbonylContact O-C 3.55Å; W1153-T1197 WeakPolarHBondContact O-CA 3.08Å; W1153-I1198 PolarHBondContact O-N 2.94Å
1154I73.2Confident68.1Low0 Ų048.6 Ų48.60%026%0.262CS..EExtended strand (participates in β ladder)trans-69102.6156.7-63.3170.1000104.9F1105 V1139 V1141 C1156 L1172 I1174 F1185 I1198F1105-I1154 HydrophobicContact CD1-CD1 4.27Å; F1105-I1154 HydrophobicContact CE1-CD1 4.2Å; V1139-I1154 HydrophobicContact CB-CB 3.93Å; V1139-I1154 HydrophobicContact CB-CD1 4.12Å; V1139-I1154 HydrophobicContact CB-CG1 4.21Å; V1139-I1154 HydrophobicContact CG1-CD1 4.26Å; V1139-I1154 HydrophobicContact CG2-CB 4.04Å; V1139-I1154 HydrophobicContact CG2-CD1 4.22Å; V1139-I1154 PolarHBondContact O-N 2.67Å; V1139-I1154 VanDerWaalsContact O-N 3.14Å; V1141-I1154 HydrophobicContact CB-CG1 4.41Å; V1141-I1154 HydrophobicContact CG2-CD1 3.54Å; V1141-I1154 HydrophobicContact CG2-CG1 3.52Å; I1154-C1156 HydrophobicContact CG2-CB 4.25Å; I1154-C1156 PolarHBondContact O-N 2.73Å; I1154-L1172 HydrophobicContact CD1-CD2 3.68Å; I1154-I1174 HydrophobicContact CD1-CD1 3.75Å; I1154-I1174 HydrophobicContact CG2-CD1 4.05Å; I1154-F1185 HydrophobicContact CG2-CD1 3.55Å; I1154-F1185 HydrophobicContact CG2-CD2 4.25Å; I1154-F1185 HydrophobicContact CG2-CE1 3.34Å; I1154-F1185 HydrophobicContact CG2-CE2 4.05Å; I1154-F1185 HydrophobicContact CG2-CG 4.02Å; I1154-F1185 HydrophobicContact CG2-CZ 3.62Å; I1154-I1198 HydrophobicContact CB-CD1 4.47Å; I1154-I1198 HydrophobicContact CG1-CB 4.38Å; I1154-I1198 HydrophobicContact CG1-CD1 3.71Å
1155K69.5Low68.5Low130 Ų13048.7 Ų48.757%0.56526%0.263SS*.  trans-8069.5171.4-167.3175.4-179.8174.90108W1153 T1197 I1198W1153-K1155 VanDerWaalsContact C-N 3.29Å; W1153-K1155 PolarHBondContact O-N 2.8Å; K1155-T1197 HydrophobicContact CB-CG2 4.17Å; K1155-T1197 HydrophobicContact CD-CG2 4.43Å; K1155-I1198 CarbonylContact C-O 3.59Å; K1155-I1198 PolarHBondContact N-O 2.79Å; K1155-I1198 VanDerWaalsContact N-O 3.08Å
1156C71Confident68.9Low2 Ų243.4 Ų43.41%0.01424%0.235CC..  trans-50.4122.3164-148.30000107.1I1154 L1158 P1160 C1176 F1185I1154-C1156 HydrophobicContact CG2-CB 4.25Å; I1154-C1156 PolarHBondContact O-N 2.73Å; C1156-L1158 CarbonylContact C-O 3.49Å; C1156-L1158 WeakPolarHBondContact CB-O 3.05Å; C1156-L1158 PolarHBondContact O-N 2.75Å; C1156-L1158 PolarHBondContact SG-O 3.44Å; C1156-P1160 HydrophobicContact CB-CB 4.47Å; C1156-C1176 PolarHBondContact SG-SG 2.73Å; C1156-F1185 HydrophobicContact CB-CZ 4.3Å
1157P76.9Confident68.6Low65 Ų6547.4 Ų47.442%0.42225%0.253SS..SBendtrans-56.9-28.5-174.6-27.535.8000112.6Y1183P1157-Y1183 HydrophobicContact CG-CE1 4.22Å; P1157-Y1183 HydrophobicContact CG-CE2 4.31Å
1158L72.3Confident68.5Low32 Ų3252.6 Ų52.617%0.16827%0.271CS..SBendtrans-131.1157.5176.2-39.1165.4000105.5C1156 C1176 S1178 L1179C1156-L1158 CarbonylContact C-O 3.49Å; C1156-L1158 WeakPolarHBondContact CB-O 3.05Å; C1156-L1158 PolarHBondContact O-N 2.75Å; C1156-L1158 PolarHBondContact SG-O 3.44Å; L1158-C1176 HydrophobicContact CB-CB 4.19Å; L1158-C1176 HydrophobicContact CD1-CB 4.48Å; L1158-C1176 PolarHBondContact O-SG 2.8Å; L1158-S1178 WeakPolarHBondContact CB-OG 3.38Å; L1158-S1178 WeakPolarHBondContact CD1-O 3.49Å; L1158-S1178 WeakPolarHBondContact CD1-OG 3.42Å; L1158-S1178 WeakPolarHBondContact CD2-OG 3.3Å; L1158-L1179 HydrophobicContact CD1-CB 3.97Å; L1158-L1179 HydrophobicContact CD1-CD1 4.3Å; L1158-L1179 HydrophobicContact CD1-CG 4.45Å
1159A76.8Confident68.8Low13 Ų1348.2 Ų48.211%0.10725%0.248CC..  trans-63.3148.6-166.400000114.3N1137 C1176 K1177N1137-A1159 HydrophobicContact CB-CB 4.46Å; A1159-C1176 WeakPolarHBondContact O-CA 3.45Å; A1159-K1177 HydrophobicContact CB-CB 4.22Å; A1159-K1177 HydrophobicContact CB-CD 3.8Å; A1159-K1177 HydrophobicContact CB-CG 4.02Å; A1159-K1177 WeakPolarHBondContact O-CG 3.37Å; A1159-K1177 PolarHBondContact O-N 3.48Å
1160P79.8Confident69Low27 Ų2746.3 Ų46.318%0.17524%0.235CC..BIsolated β-bridgetrans-80.4161.4-179.434.9-38.9000113.2V1139 C1156 I1174 K1177V1139-P1160 HydrophobicContact CG2-CB 3.65Å; V1139-P1160 HydrophobicContact CG2-CG 3.56Å; C1156-P1160 HydrophobicContact CB-CB 4.47Å; P1160-I1174 HydrophobicContact CB-CG2 3.83Å; P1160-K1177 WeakPolarHBondContact O-CE 3.27Å
1161A77.1Confident69.7Low58 Ų5846.1 Ų46.148%0.47923%0.234SC..  trans-134.6-33.4-179.700000117G1175A1161-G1175 PolarHBondContact N-O 2.87Å
1162I73.7Confident70.8Confident50 Ų5044 Ų4426%0.25622%0.223SC..  trans-153.6155.1-172.7-167.3167.9000111.6K1252 L1253I1162-K1252 HydrophobicContact CD1-CG 4.24Å; I1162-L1253 HydrophobicContact CG2-CD1 3.95Å; I1162-L1253 HydrophobicContact CG2-CG 4.42Å
1163F81.1Confident71.6Confident41 Ų4144.3 Ų44.318%0.1822%0.224CC..  trans-112.9118.2169.9-51.6-42.1000110.2P1094 F1105 V1139 L1172 I1174P1094-F1163 HydrophobicContact CB-CD2 4.46Å; P1094-F1163 HydrophobicContact CB-CE2 4.24Å; P1094-F1163 HydrophobicContact CG-CE2 4.09Å; F1105-F1163 HydrophobicContact CB-CD1 4.38Å; F1105-F1163 HydrophobicContact CB-CD2 3.57Å; F1105-F1163 HydrophobicContact CB-CE1 4.23Å; F1105-F1163 HydrophobicContact CB-CE2 3.37Å; F1105-F1163 HydrophobicContact CB-CG 4.1Å; F1105-F1163 HydrophobicContact CB-CZ 3.75Å; F1105-F1163 HydrophobicContact CD1-CD1 4.46Å; F1105-F1163 HydrophobicContact CD1-CE1 4.5Å; F1105-F1163 HydrophobicContact CD2-CD2 4.43Å; F1105-F1163 HydrophobicContact CD2-CG 4.38Å; F1105-F1163 HydrophobicContact CG-CD1 4.3Å; F1105-F1163 HydrophobicContact CG-CD2 4.09Å; F1105-F1163 HydrophobicContact CG-CE1 4.47Å; F1105-F1163 HydrophobicContact CG-CE2 4.25Å; F1105-F1163 HydrophobicContact CG-CG 4.14Å; F1105-F1163 HydrophobicContact CG-CZ 4.46Å; V1139-F1163 HydrophobicContact CB-CE1 4.43Å; V1139-F1163 HydrophobicContact CB-CZ 4.44Å; V1139-F1163 HydrophobicContact CG1-CE1 3.69Å; V1139-F1163 HydrophobicContact CG1-CZ 3.45Å; V1139-F1163 VanDerWaalsContact CG1-CZ 3.45Å; V1139-F1163 HydrophobicContact CG2-CE1 3.82Å; V1139-F1163 HydrophobicContact CG2-CZ 4.13Å; F1163-L1172 HydrophobicContact CB-CD1 3.77Å; F1163-L1172 HydrophobicContact CD1-CD1 4.13Å; F1163-L1172 HydrophobicContact CD1-CD2 4.19Å; F1163-L1172 HydrophobicContact CG-CD1 4.33Å; F1163-I1174 HydrophobicContact CE1-CD1 4.5Å
1164Q75.8Confident71.9Confident81 Ų8141.7 Ų41.738%0.37921%0.214SC..EExtended strand (participates in β ladder)trans-130.8122.4164.9-176.561.153.600108.8L1173 I1255Q1164-L1173 PolarHBondContact O-N 3.19Å; Q1164-L1173 VanDerWaalsContact O-N 3.1Å; Q1164-I1255 HydrophobicContact CG-CD1 3.91Å; Q1164-I1255 HydrophobicContact CG-CG1 4.25Å
1165A71.7Confident72.2Confident4 Ų441.7 Ų41.73%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-86.3151.5168.200000110.5Y1096 L1098 N1171 I1255Y1096-A1165 HydrophobicContact CE1-CB 3.78Å; L1098-A1165 HydrophobicContact CD2-CB 4.2Å; A1165-N1171 WeakPolarHBondContact CA-O 3.19Å; A1165-I1255 WeakPolarHBondContact O-CD1 3.5Å
1166N64.7Low72.9Confident8 Ų835.5 Ų35.54%0.04319%0.187CC..  trans-69.6170.2156.673.6-38.4000110.3R1168 G1169 E1170 N1171 I1255 E1259N1166-R1168 PolarHBondContact O-N 3.04Å; N1166-G1169 PolarHBondContact O-N 3.34Å; N1166-G1169 PolarHBondContact OD1-N 2.87Å; N1166-E1170 PolarHBondContact OD1-N 2.92Å; N1166-N1171 PolarHBondContact N-O 2.66Å; N1166-N1171 PolarHBondContact OD1-N 3.45Å; N1166-I1255 HydrophobicContact CB-CD1 4.09Å; N1166-E1259 HydrophobicContact CB-CG 4.43Å; N1166-E1259 WeakPolarHBondContact CB-OE1 3.44Å; N1166-E1259 PolarHBondContact ND2-OE1 3.25Å; N1166-E1259 PolarHBondContact ND2-OE2 2.83Å
1167I54.2Low73.2Confident129 Ų12941.5 Ų41.566%0.66221%0.213SC*.THydrogen-bonded Turntrans-56.8-30.6-175.3-62.8173.8000110.8E1259I1167-E1259 PolarHBondContact N-OE1 3.31Å
1168R54.1Low73.1Confident129 Ų12940.1 Ų40.149%0.48721%0.205SC..THydrogen-bonded Turntrans-81.8-10.4-177.8-46.1174.8-176.4-155-1115H999 N1100 N1166 E1170 E1259H999-R1168 PolarHBondContact NE2-O 3.09Å; N1100-R1168 PolarHBondContact ND2-O 3.22Å; N1166-R1168 PolarHBondContact O-N 3.04Å; R1168-E1170 HydrophobicContact CB-CB 4.44Å; R1168-E1170 HydrophobicContact CB-CG 3.73Å; R1168-E1170 VanDerWaalsContact CD-CD 3.42Å; R1168-E1170 WeakPolarHBondContact CD-OE1 3.32Å; R1168-E1170 WeakPolarHBondContact CD-OE2 3.22Å; R1168-E1170 IonicContact NH1-OE1 3.31Å; R1168-E1170 IonicContact NH1-OE2 3.47Å; R1168-E1170 PolarHBondContact O-N 3.45Å; R1168-E1259 IonicContact NE-OE2 2.79Å; R1168-E1259 PolarHBondContact NE-OE2 2.98Å
1169G59.8Low73Confident1 Ų141.2 Ų41.21%0.0121%0.21CC..SBendtrans60.424.3-175.200000115N1100 N1166 L1187N1100-G1169 PolarHBondContact ND2-O 3.07Å; N1166-G1169 PolarHBondContact O-N 3.34Å; N1166-G1169 PolarHBondContact OD1-N 2.87Å; G1169-L1187 VanDerWaalsContact O-CD1 3.31Å; G1169-L1187 WeakPolarHBondContact O-CD1 3.45Å
1170E63.7Low72.6Confident74 Ų7440.6 Ų40.635%0.34621%0.205SC..  trans-88.9-41.4-179.4-67.6165.217200111.1N1166 R1168 L1187N1166-E1170 PolarHBondContact OD1-N 2.92Å; R1168-E1170 HydrophobicContact CB-CB 4.44Å; R1168-E1170 HydrophobicContact CB-CG 3.73Å; R1168-E1170 VanDerWaalsContact CD-CD 3.42Å; R1168-E1170 WeakPolarHBondContact CD-OE1 3.32Å; R1168-E1170 WeakPolarHBondContact CD-OE2 3.22Å; R1168-E1170 IonicContact NH1-OE1 3.31Å; R1168-E1170 IonicContact NH1-OE2 3.47Å; R1168-E1170 PolarHBondContact O-N 3.45Å; E1170-L1187 VanDerWaalsContact O-CB 3.27Å; E1170-L1187 WeakPolarHBondContact O-CB 3.33Å; E1170-L1187 PolarHBondContact O-N 3.37Å
1171N72.7Confident72.7Confident24 Ų2440.2 Ų40.213%0.12820%0.201CC..EExtended strand (participates in β ladder)trans-113117.6-173.6-61.2-50.3000109.1A1165 N1166 R1184A1165-N1171 WeakPolarHBondContact CA-O 3.19Å; N1166-N1171 PolarHBondContact N-O 2.66Å; N1166-N1171 PolarHBondContact OD1-N 3.45Å; N1171-R1184 HydrophobicContact CB-CG 4.32Å; N1171-R1184 VanDerWaalsContact CG-NE 3.31Å; N1171-R1184 PolarHBondContact OD1-NE 2.71Å; N1171-R1184 PolarHBondContact OD1-NH2 3.45Å
1172L81.5Confident72.6Confident0 Ų037.5 Ų37.50%018%0.179CC..EExtended strand (participates in β ladder)trans-93.5116.9162.6-179.177.8000107.9F1105 I1154 F1163 I1174 F1185 L1187F1105-L1172 HydrophobicContact CD1-CD2 4.1Å; F1105-L1172 HydrophobicContact CE1-CD1 4.41Å; F1105-L1172 HydrophobicContact CE1-CD2 3.55Å; F1105-L1172 HydrophobicContact CE2-CD1 4.27Å; F1105-L1172 HydrophobicContact CZ-CD1 4.08Å; F1105-L1172 HydrophobicContact CZ-CD2 3.96Å; F1105-L1172 HydrophobicContact CZ-CG 4.47Å; I1154-L1172 HydrophobicContact CD1-CD2 3.68Å; F1163-L1172 HydrophobicContact CB-CD1 3.77Å; F1163-L1172 HydrophobicContact CD1-CD1 4.13Å; F1163-L1172 HydrophobicContact CD1-CD2 4.19Å; F1163-L1172 HydrophobicContact CG-CD1 4.33Å; L1172-I1174 HydrophobicContact CD2-CD1 3.63Å; L1172-I1174 HydrophobicContact CD2-CG1 3.66Å; L1172-I1174 HydrophobicContact CG-CD1 4.42Å; L1172-I1174 HydrophobicContact CG-CG1 3.89Å; L1172-F1185 HydrophobicContact CB-CB 4.32Å; L1172-F1185 HydrophobicContact CD2-CB 4.49Å; L1172-F1185 PolarHBondContact N-O 3.27Å; L1172-F1185 WeakPolarHBondContact O-CA 3.34Å; L1172-F1185 PolarHBondContact O-N 3.43Å; L1172-F1185 VanDerWaalsContact O-O 3.08Å; L1172-L1187 HydrophobicContact CB-CD1 3.85Å; L1172-L1187 HydrophobicContact CB-CD2 3.55Å; L1172-L1187 HydrophobicContact CB-CG 3.7Å; L1172-L1187 HydrophobicContact CD2-CD2 4.18Å; L1172-L1187 HydrophobicContact CG-CD2 4.45Å
1173L78.7Confident73.3Confident7 Ų735.6 Ų35.64%0.03717%0.168CC..EExtended strand (participates in β ladder)trans-90122.3170.5-66.3157.2000107.5Q1164 R1184 L1253 I1255 L1262Q1164-L1173 PolarHBondContact O-N 3.19Å; Q1164-L1173 VanDerWaalsContact O-N 3.1Å; L1173-R1184 HydrophobicContact CD2-CB 3.81Å; L1173-R1184 HydrophobicContact CD2-CG 4.15Å; L1173-L1253 VanDerWaalsContact C-CD1 3.43Å; L1173-L1253 HydrophobicContact CB-CD1 3.67Å; L1173-L1253 WeakPolarHBondContact O-CD1 3.36Å; L1173-I1255 HydrophobicContact CD1-CD1 3.75Å; L1173-I1255 HydrophobicContact CD1-CG1 3.8Å; L1173-L1262 HydrophobicContact CD1-CD1 3.56Å; L1173-L1262 HydrophobicContact CD2-CD1 3.57Å; L1173-L1262 HydrophobicContact CG-CD1 4.1Å
1174I82.1Confident73.2Confident0 Ų036.3 Ų36.30%017%0.17CC..EExtended strand (participates in β ladder)trans-112.6130.4173.2-63.3-172.3000109.2V1139 I1154 P1160 F1163 L1172 Y1183 F1185V1139-I1174 HydrophobicContact CG2-CD1 4.29Å; I1154-I1174 HydrophobicContact CD1-CD1 3.75Å; I1154-I1174 HydrophobicContact CG2-CD1 4.05Å; P1160-I1174 HydrophobicContact CB-CG2 3.83Å; F1163-I1174 HydrophobicContact CE1-CD1 4.5Å; L1172-I1174 HydrophobicContact CD2-CD1 3.63Å; L1172-I1174 HydrophobicContact CD2-CG1 3.66Å; L1172-I1174 HydrophobicContact CG-CD1 4.42Å; L1172-I1174 HydrophobicContact CG-CG1 3.89Å; I1174-Y1183 PolarHBondContact N-O 2.76Å; I1174-Y1183 PolarHBondContact O-N 3.43Å; I1174-F1185 HydrophobicContact CB-CD2 3.72Å; I1174-F1185 HydrophobicContact CB-CE2 3.79Å; I1174-F1185 HydrophobicContact CD1-CD2 3.63Å; I1174-F1185 HydrophobicContact CD1-CE2 3.91Å; I1174-F1185 HydrophobicContact CD1-CG 4.33Å; I1174-F1185 HydrophobicContact CG1-CD2 3.67Å; I1174-F1185 HydrophobicContact CG1-CE2 4.12Å; I1174-F1185 HydrophobicContact CG2-CE2 4.37Å
1175G79.4Confident73.4Confident0 Ų032.5 Ų32.50%015%0.152CC..EExtended strand (participates in β ladder)trans-79.7133.5163.700000111.4A1161A1161-G1175 PolarHBondContact N-O 2.87Å
1176C84.4Confident73.5Confident0 Ų033.6 Ų33.60%016%0.157CC..BIsolated β-bridgetrans-102152.4-178.4-1120000113.4C1156 L1158 A1159 S1178 Q1181 Y1183 V1250C1156-C1176 PolarHBondContact SG-SG 2.73Å; L1158-C1176 HydrophobicContact CB-CB 4.19Å; L1158-C1176 HydrophobicContact CD1-CB 4.48Å; L1158-C1176 PolarHBondContact O-SG 2.8Å; A1159-C1176 WeakPolarHBondContact O-CA 3.45Å; C1176-S1178 PolarHBondContact O-N 3.41Å; C1176-Q1181 WeakPolarHBondContact CB-O 3.5Å; C1176-Y1183 HydrophobicContact CB-CD2 3.77Å; C1176-Y1183 HydrophobicContact CB-CE2 3.86Å; C1176-Y1183 WeakPolarHBondContact SG-CD2 3.4Å; C1176-Y1183 WeakPolarHBondContact SG-CE2 3.37Å; C1176-V1250 PolarHBondContact O-N 3.25Å
1177K77.4Confident73.5Confident128 Ų12833.6 Ų33.656%0.55716%0.157SC*.SBendtrans-81.36.4-178.6-65.6-166.6-157.61760117.3A1159 P1160 S1249A1159-K1177 HydrophobicContact CB-CB 4.22Å; A1159-K1177 HydrophobicContact CB-CD 3.8Å; A1159-K1177 HydrophobicContact CB-CG 4.02Å; A1159-K1177 WeakPolarHBondContact O-CG 3.37Å; A1159-K1177 PolarHBondContact O-N 3.48Å; P1160-K1177 WeakPolarHBondContact O-CE 3.27Å; K1177-S1249 VanDerWaalsContact O-CB 3.22Å; K1177-S1249 WeakPolarHBondContact O-CB 3.48Å
1178S74.3Confident73.8Confident36 Ų3630.7 Ų30.725%0.25215%0.145SC..SBendtrans-160.5177.7173.632.90000114.1L1158 C1176 G1180 V1248L1158-S1178 WeakPolarHBondContact CB-OG 3.38Å; L1158-S1178 WeakPolarHBondContact CD1-O 3.49Å; L1158-S1178 WeakPolarHBondContact CD1-OG 3.42Å; L1158-S1178 WeakPolarHBondContact CD2-OG 3.3Å; C1176-S1178 PolarHBondContact O-N 3.41Å; S1178-G1180 PolarHBondContact O-N 2.73Å; S1178-V1248 CarbonylContact C-O 3.46Å; S1178-V1248 WeakPolarHBondContact CA-O 3.5Å
1179L70.2Confident74.4Confident55 Ų5526.7 Ų26.729%0.28813%0.134SC..THydrogen-bonded Turntrans53.64.9-178.8-76.3169.7000118.8L1158 Q1181 R1245 V1248L1158-L1179 HydrophobicContact CD1-CB 3.97Å; L1158-L1179 HydrophobicContact CD1-CD1 4.3Å; L1158-L1179 HydrophobicContact CD1-CG 4.45Å; L1179-Q1181 HydrophobicContact CB-CG 4.12Å; L1179-Q1181 VanDerWaalsContact CB-OE1 3.23Å; L1179-Q1181 PolarHBondContact O-N 3.32Å; L1179-R1245 HydrophobicContact CD2-CG 4.38Å; L1179-V1248 CarbonylContact C-O 3.5Å; L1179-V1248 PolarHBondContact N-O 2.88Å
1180G67.5Low74.6Confident0 Ų027.2 Ų27.20%014%0.136CC..THydrogen-bonded Turntrans67.922.5179.800000113.3S1178 V1248 Y1266S1178-G1180 PolarHBondContact O-N 2.73Å; G1180-V1248 VanDerWaalsContact CA-CG1 3.48Å; G1180-V1248 PolarHBondContact N-O 3.29Å; G1180-Y1266 VanDerWaalsContact C-CE1 3.46Å; G1180-Y1266 WeakPolarHBondContact O-CE1 3.42Å; G1180-Y1266 VanDerWaalsContact O-CZ 3.32Å; G1180-Y1266 PolarHBondContact O-OH 2.82Å
1181Q82.8Confident74Confident20 Ų2027.2 Ų27.29%0.09314%0.144CC..  trans-92.6125.5-176.4-70.4161.8-41.400110.4C1176 L1179 Y1183 E1203C1176-Q1181 WeakPolarHBondContact CB-O 3.5Å; L1179-Q1181 HydrophobicContact CB-CG 4.12Å; L1179-Q1181 VanDerWaalsContact CB-OE1 3.23Å; L1179-Q1181 PolarHBondContact O-N 3.32Å; Q1181-Y1183 HydrophobicContact CB-CD2 4.17Å; Q1181-Y1183 HydrophobicContact CB-CE1 4.23Å; Q1181-Y1183 HydrophobicContact CB-CE2 3.46Å; Q1181-Y1183 VanDerWaalsContact CB-CE2 3.46Å; Q1181-Y1183 PolarHBondContact NE2-OH 3.17Å; Q1181-Y1183 PolarHBondContact OE1-OH 2.82Å; Q1181-E1203 HydrophobicContact CG-CG 4.39Å; Q1181-E1203 PolarHBondContact NE2-OE1 3.14Å
1182I75.7Confident73.2Confident0 Ų029.5 Ų29.50%016%0.157CC..EExtended strand (participates in β ladder)trans-96.3131.9166.8-53147.3000106.9L1204 V1250 L1253 L1262 A1264 Y1266 W1278I1182-L1204 HydrophobicContact CB-CB 4.16Å; I1182-L1204 HydrophobicContact CB-CD1 4.14Å; I1182-L1204 HydrophobicContact CD1-CB 4.25Å; I1182-L1204 HydrophobicContact CD1-CD1 3.8Å; I1182-L1204 HydrophobicContact CG2-CD1 4.45Å; I1182-L1204 PolarHBondContact O-N 3.3Å; I1182-L1204 VanDerWaalsContact O-N 3.09Å; I1182-V1250 HydrophobicContact CG1-CG2 4.06Å; I1182-L1253 HydrophobicContact CG2-CD2 4.06Å; I1182-L1262 HydrophobicContact CD1-CD2 3.83Å; I1182-L1262 HydrophobicContact CG2-CD1 4.48Å; I1182-L1262 HydrophobicContact CG2-CD2 4.48Å; I1182-A1264 HydrophobicContact CD1-CB 3.33Å; I1182-A1264 HydrophobicContact CG1-CB 3.89Å; I1182-Y1266 HydrophobicContact CD1-CE1 4.23Å; I1182-Y1266 WeakPolarHBondContact CD1-OH 3.46Å; I1182-Y1266 HydrophobicContact CG1-CE1 4.01Å; I1182-W1278 VanDerWaalsContact CD1-NE1 3.34Å
1183Y87.5Confident71.9Confident11 Ų1138.4 Ų38.44%0.04320%0.195CC..EExtended strand (participates in β ladder)trans-115.7110.3-177.2-68.8-68.2000109.3P1157 I1174 C1176 Q1181 F1185 P1200 E1203P1157-Y1183 HydrophobicContact CG-CE1 4.22Å; P1157-Y1183 HydrophobicContact CG-CE2 4.31Å; I1174-Y1183 PolarHBondContact N-O 2.76Å; I1174-Y1183 PolarHBondContact O-N 3.43Å; C1176-Y1183 HydrophobicContact CB-CD2 3.77Å; C1176-Y1183 HydrophobicContact CB-CE2 3.86Å; C1176-Y1183 WeakPolarHBondContact SG-CD2 3.4Å; C1176-Y1183 WeakPolarHBondContact SG-CE2 3.37Å; Q1181-Y1183 HydrophobicContact CB-CD2 4.17Å; Q1181-Y1183 HydrophobicContact CB-CE1 4.23Å; Q1181-Y1183 HydrophobicContact CB-CE2 3.46Å; Q1181-Y1183 VanDerWaalsContact CB-CE2 3.46Å; Q1181-Y1183 PolarHBondContact NE2-OH 3.17Å; Q1181-Y1183 PolarHBondContact OE1-OH 2.82Å; Y1183-F1185 VanDerWaalsContact CB-CE2 3.41Å; Y1183-F1185 HydrophobicContact CG-CE2 4.38Å; Y1183-F1185 PolarHBondContact O-N 3.13Å; Y1183-P1200 HydrophobicContact CD1-CB 3.43Å; Y1183-P1200 VanDerWaalsContact CD1-CB 3.43Å; Y1183-P1200 HydrophobicContact CD1-CG 3.4Å; Y1183-P1200 HydrophobicContact CE1-CB 4.24Å; Y1183-P1200 HydrophobicContact CE1-CG 3.7Å; Y1183-P1200 HydrophobicContact CG-CB 4.1Å; Y1183-P1200 HydrophobicContact CG-CG 4.3Å; Y1183-E1203 HydrophobicContact CD1-CB 4.45Å; Y1183-E1203 HydrophobicContact CD1-CG 4.38Å; Y1183-E1203 HydrophobicContact CE1-CB 4.27Å; Y1183-E1203 HydrophobicContact CE1-CG 3.87Å
1184R79Confident70.6Confident56 Ų5647.1 Ų47.121%0.21124%0.236CC..EExtended strand (participates in β ladder)trans-70.7117.1158.4-178.2-178.7159.3-162.1-6106.2N1171 L1173 D1186 P1200 N1201 F1202N1171-R1184 HydrophobicContact CB-CG 4.32Å; N1171-R1184 VanDerWaalsContact CG-NE 3.31Å; N1171-R1184 PolarHBondContact OD1-NE 2.71Å; N1171-R1184 PolarHBondContact OD1-NH2 3.45Å; L1173-R1184 HydrophobicContact CD2-CB 3.81Å; L1173-R1184 HydrophobicContact CD2-CG 4.15Å; R1184-D1186 IonicContact NH2-OD2 2.95Å; R1184-P1200 WeakPolarHBondContact O-CA 3.34Å; R1184-N1201 WeakPolarHBondContact CB-OD1 3.28Å; R1184-N1201 WeakPolarHBondContact CD-OD1 3.46Å; R1184-N1201 VanDerWaalsContact CG-OD1 3.22Å; R1184-N1201 WeakPolarHBondContact CG-OD1 3.49Å; R1184-N1201 VanDerWaalsContact CZ-ND2 3.27Å; R1184-N1201 PolarHBondContact NE-ND2 2.8Å; R1184-N1201 VanDerWaalsContact NE-ND2 3.19Å; R1184-N1201 PolarHBondContact NH2-ND2 3.26Å; R1184-N1201 PolarHBondContact O-N 3.21Å; R1184-N1201 PolarHBondContact O-OD1 2.96Å; R1184-F1202 HydrophobicContact CB-CB 4.02Å; R1184-F1202 HydrophobicContact CB-CD1 3.43Å; R1184-F1202 VanDerWaalsContact CB-CD1 3.43Å; R1184-F1202 HydrophobicContact CB-CE1 4.19Å; R1184-F1202 HydrophobicContact CB-CG 4.15Å; R1184-F1202 HydrophobicContact CG-CD1 4.39Å; R1184-F1202 PolarHBondContact N-O 2.7Å
1185F79.4Confident69.2Low1 Ų149.6 Ų49.60%0.00425%0.249CC..EExtended strand (participates in β ladder)trans-89.6112161-71.7-84.3000106.1I1154 C1156 L1172 I1174 Y1183 L1187 I1198 P1200I1154-F1185 HydrophobicContact CG2-CD1 3.55Å; I1154-F1185 HydrophobicContact CG2-CD2 4.25Å; I1154-F1185 HydrophobicContact CG2-CE1 3.34Å; I1154-F1185 HydrophobicContact CG2-CE2 4.05Å; I1154-F1185 HydrophobicContact CG2-CG 4.02Å; I1154-F1185 HydrophobicContact CG2-CZ 3.62Å; C1156-F1185 HydrophobicContact CB-CZ 4.3Å; L1172-F1185 HydrophobicContact CB-CB 4.32Å; L1172-F1185 HydrophobicContact CD2-CB 4.49Å; L1172-F1185 PolarHBondContact N-O 3.27Å; L1172-F1185 WeakPolarHBondContact O-CA 3.34Å; L1172-F1185 PolarHBondContact O-N 3.43Å; L1172-F1185 VanDerWaalsContact O-O 3.08Å; I1174-F1185 HydrophobicContact CB-CD2 3.72Å; I1174-F1185 HydrophobicContact CB-CE2 3.79Å; I1174-F1185 HydrophobicContact CD1-CD2 3.63Å; I1174-F1185 HydrophobicContact CD1-CE2 3.91Å; I1174-F1185 HydrophobicContact CD1-CG 4.33Å; I1174-F1185 HydrophobicContact CG1-CD2 3.67Å; I1174-F1185 HydrophobicContact CG1-CE2 4.12Å; I1174-F1185 HydrophobicContact CG2-CE2 4.37Å; Y1183-F1185 VanDerWaalsContact CB-CE2 3.41Å; Y1183-F1185 HydrophobicContact CG-CE2 4.38Å; Y1183-F1185 PolarHBondContact O-N 3.13Å; F1185-L1187 PolarHBondContact O-N 3.26Å; F1185-I1198 HydrophobicContact CD1-CG2 4.04Å; F1185-P1200 HydrophobicContact CE1-CB 4.33Å; F1185-P1200 HydrophobicContact CZ-CB 4.37Å
1186D75Confident68Low26 Ų2658.4 Ų58.414%0.13928%0.282CS..EExtended strand (participates in β ladder)trans-62.3120.6162.8-138.4-48.5000107.3R1184 T1188 L1189 N1201R1184-D1186 IonicContact NH2-OD2 2.95Å; D1186-T1188 WeakPolarHBondContact CB-OG1 3.1Å; D1186-T1188 PolarHBondContact O-N 2.82Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.31Å; D1186-T1188 VanDerWaalsContact OD1-CG2 3.25Å; D1186-T1188 WeakPolarHBondContact OD1-CG2 3.37Å; D1186-T1188 PolarHBondContact OD1-N 2.98Å; D1186-T1188 PolarHBondContact OD1-OG1 3.39Å; D1186-L1189 HydrophobicContact CB-CB 4.32Å; D1186-L1189 HydrophobicContact CB-CD1 4.07Å; D1186-L1189 HydrophobicContact CB-CG 3.92Å; D1186-L1189 WeakPolarHBondContact O-CB 3.24Å; D1186-L1189 PolarHBondContact O-N 3.08Å; D1186-N1201 HydrophobicContact CB-CB 3.91Å; D1186-N1201 WeakPolarHBondContact CB-ND2 3.28Å; D1186-N1201 VanDerWaalsContact CG-ND2 3.32Å; D1186-N1201 PolarHBondContact OD2-ND2 3.38Å
1187L64.2Low66.9Low8 Ų861.1 Ų61.14%0.04230%0.299CS..THydrogen-bonded Turntrans-74.2-8.2172.9-61.3167.7000110.7L1098 I1103 F1105 G1169 E1170 L1172 F1185 I1190L1098-L1187 HydrophobicContact CD1-CD1 3.72Å; L1098-L1187 HydrophobicContact CD1-CG 4.5Å; L1098-L1187 HydrophobicContact CD2-CD1 3.36Å; L1098-L1187 HydrophobicContact CG-CD1 4.19Å; I1103-L1187 HydrophobicContact CD1-CB 4.5Å; I1103-L1187 HydrophobicContact CD1-CD2 4.42Å; F1105-L1187 HydrophobicContact CE1-CD2 3.85Å; F1105-L1187 HydrophobicContact CZ-CD1 4.37Å; F1105-L1187 HydrophobicContact CZ-CD2 3.57Å; G1169-L1187 VanDerWaalsContact O-CD1 3.31Å; G1169-L1187 WeakPolarHBondContact O-CD1 3.45Å; E1170-L1187 VanDerWaalsContact O-CB 3.27Å; E1170-L1187 WeakPolarHBondContact O-CB 3.33Å; E1170-L1187 PolarHBondContact O-N 3.37Å; L1172-L1187 HydrophobicContact CB-CD1 3.85Å; L1172-L1187 HydrophobicContact CB-CD2 3.55Å; L1172-L1187 HydrophobicContact CB-CG 3.7Å; L1172-L1187 HydrophobicContact CD2-CD2 4.18Å; L1172-L1187 HydrophobicContact CG-CD2 4.45Å; F1185-L1187 PolarHBondContact O-N 3.26Å; L1187-I1190 HydrophobicContact CB-CD1 4.41Å; L1187-I1190 HydrophobicContact CD2-CD1 3.34Å; L1187-I1190 HydrophobicContact CG-CD1 4.5Å
1188T60.9Low66.5Low68 Ų6855 Ų5542%0.41727%0.272SS..THydrogen-bonded Turntrans-67.7-32.5161.568.80000112.5D1186 I1190 S1191D1186-T1188 WeakPolarHBondContact CB-OG1 3.1Å; D1186-T1188 PolarHBondContact O-N 2.82Å; D1186-T1188 WeakPolarHBondContact OD1-CB 3.31Å; D1186-T1188 VanDerWaalsContact OD1-CG2 3.25Å; D1186-T1188 WeakPolarHBondContact OD1-CG2 3.37Å; D1186-T1188 PolarHBondContact OD1-N 2.98Å; D1186-T1188 PolarHBondContact OD1-OG1 3.39Å; T1188-I1190 PolarHBondContact O-N 3.18Å; T1188-S1191 VanDerWaalsContact O-CB 3.23Å; T1188-S1191 WeakPolarHBondContact O-CB 3.47Å; T1188-S1191 PolarHBondContact O-N 2.83Å; T1188-S1191 PolarHBondContact O-OG 2.93Å
1189L67.3Low66.7Low46 Ų4660 Ų6024%0.24129%0.289CS..G310 helixtrans-69.7-15.6179.7-75.1173.4000113.6D1186 S1191 N1192 I1198 K1199 N1201D1186-L1189 HydrophobicContact CB-CB 4.32Å; D1186-L1189 HydrophobicContact CB-CD1 4.07Å; D1186-L1189 HydrophobicContact CB-CG 3.92Å; D1186-L1189 WeakPolarHBondContact O-CB 3.24Å; D1186-L1189 PolarHBondContact O-N 3.08Å; L1189-S1191 PolarHBondContact O-N 3.49Å; L1189-N1192 PolarHBondContact O-N 3.48Å; L1189-I1198 HydrophobicContact CB-CG2 3.76Å; L1189-K1199 WeakPolarHBondContact CD1-O 3.32Å; L1189-N1201 HydrophobicContact CD1-CB 3.93Å
1190I63.9Low66.6Low11 Ų1159.2 Ų59.26%0.05629%0.287CS..G310 helixtrans-69.4-19.6169.5-63165.8000111.8I1103 V1141 L1151 L1187 T1188 N1192 I1198I1103-I1190 HydrophobicContact CD1-CB 4.06Å; I1103-I1190 HydrophobicContact CD1-CD1 3.45Å; I1103-I1190 VanDerWaalsContact CD1-CD1 3.45Å; I1103-I1190 HydrophobicContact CD1-CG1 4.32Å; I1103-I1190 HydrophobicContact CD1-CG2 3.87Å; I1103-I1190 HydrophobicContact CG1-CB 4.46Å; I1103-I1190 HydrophobicContact CG1-CD1 3.78Å; I1103-I1190 HydrophobicContact CG1-CG2 3.79Å; V1141-I1190 HydrophobicContact CG1-CD1 4.07Å; V1141-I1190 HydrophobicContact CG1-CG1 4.28Å; V1141-I1190 HydrophobicContact CG1-CG2 3.66Å; V1141-I1190 HydrophobicContact CG2-CD1 3.97Å; L1151-I1190 HydrophobicContact CD2-CG2 3.67Å; L1187-I1190 HydrophobicContact CB-CD1 4.41Å; L1187-I1190 HydrophobicContact CD2-CD1 3.34Å; L1187-I1190 HydrophobicContact CG-CD1 4.5Å; T1188-I1190 PolarHBondContact O-N 3.18Å; I1190-N1192 PolarHBondContact O-N 3.4Å; I1190-I1198 HydrophobicContact CB-CD1 4.47Å; I1190-I1198 HydrophobicContact CB-CG1 4.37Å; I1190-I1198 HydrophobicContact CD1-CD1 4.35Å; I1190-I1198 HydrophobicContact CG1-CD1 3.56Å; I1190-I1198 HydrophobicContact CG1-CG1 3.62Å; I1190-I1198 HydrophobicContact CG1-CG2 4.32Å
1191S50.6Low66.4Low75 Ų7561.2 Ų61.252%0.52430%0.298SS..G310 helixtrans-68.4-17.8175.671.40000113.5T1188 L1189 K1193T1188-S1191 VanDerWaalsContact O-CB 3.23Å; T1188-S1191 WeakPolarHBondContact O-CB 3.47Å; T1188-S1191 PolarHBondContact O-N 2.83Å; T1188-S1191 PolarHBondContact O-OG 2.93Å; L1189-S1191 PolarHBondContact O-N 3.49Å; S1191-K1193 PolarHBondContact O-N 2.8Å
1192N56Low65.9Low72 Ų7260.4 Ų60.439%0.38529%0.294SS..  trans-77.6102.7177.1-68.31.3000109.4L1189 I1190 I1195L1189-N1192 PolarHBondContact O-N 3.48Å; I1190-N1192 PolarHBondContact O-N 3.4Å; N1192-I1195 HydrophobicContact CB-CB 3.91Å; N1192-I1195 HydrophobicContact CB-CD1 3.65Å; N1192-I1195 HydrophobicContact CB-CG1 3.7Å; N1192-I1195 CarbonylContact O-C 3.35Å; N1192-I1195 VanDerWaalsContact O-CA 3.3Å; N1192-I1195 WeakPolarHBondContact O-CA 3.41Å; N1192-I1195 VanDerWaalsContact O-CB 3.25Å; N1192-I1195 WeakPolarHBondContact O-CB 3.47Å; N1192-I1195 PolarHBondContact O-N 3.13Å
1193K54.7Low66Low186 Ų18664.1 Ų64.181%0.80931%0.311SS*.THydrogen-bonded Turntrans-75.1-25.5-170.1-64.8171.6-175.8173.90114.5S1191 I1195S1191-K1193 PolarHBondContact O-N 2.8Å; K1193-I1195 PolarHBondContact O-N 2.95Å
1194E49.8Very low65.8Low191 Ų19163.6 Ų63.689%0.89331%0.309SS*.THydrogen-bonded Turntrans-63.4-29.9165.2-60.2176.7153.800110.9R1196E1194-R1196 PolarHBondContact O-N 3.41Å
1195I52.3Low65.8Low52 Ų5262.2 Ų62.227%0.26731%0.306SS..  trans-82.173.4177.1-53.2-174000109.1A1152 N1192 K1193 T1197 I1198A1152-I1195 VanDerWaalsContact CB-O 3.3Å; A1152-I1195 WeakPolarHBondContact CB-O 3.4Å; N1192-I1195 HydrophobicContact CB-CB 3.91Å; N1192-I1195 HydrophobicContact CB-CD1 3.65Å; N1192-I1195 HydrophobicContact CB-CG1 3.7Å; N1192-I1195 CarbonylContact O-C 3.35Å; N1192-I1195 VanDerWaalsContact O-CA 3.3Å; N1192-I1195 WeakPolarHBondContact O-CA 3.41Å; N1192-I1195 VanDerWaalsContact O-CB 3.25Å; N1192-I1195 WeakPolarHBondContact O-CB 3.47Å; N1192-I1195 PolarHBondContact O-N 3.13Å; K1193-I1195 PolarHBondContact O-N 2.95Å; I1195-T1197 WeakPolarHBondContact CG2-O 3.46Å; I1195-T1197 PolarHBondContact O-N 2.95Å; I1195-I1198 HydrophobicContact CG2-CG1 4.43Å
1196R55.2Low65.3Low185 Ų18562.4 Ų62.470%0.69831%0.307SS*.SBendtrans-584.6155.6-65.4-176.3175.3-170.7-2113.2A1152 W1153 E1194A1152-R1196 CarbonylContact C-O 3.44Å; A1152-R1196 WeakPolarHBondContact CA-O 3.45Å; W1153-R1196 PolarHBondContact N-O 2.94Å; E1194-R1196 PolarHBondContact O-N 3.41Å
1197T60.6Low65.2Low57 Ų5762.4 Ų62.435%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-151.370.6-164.546.10000112.8W1153 K1155 I1195 K1199W1153-T1197 CarbonylContact O-C 3.55Å; W1153-T1197 WeakPolarHBondContact O-CA 3.08Å; K1155-T1197 HydrophobicContact CB-CG2 4.17Å; K1155-T1197 HydrophobicContact CD-CG2 4.43Å; I1195-T1197 WeakPolarHBondContact CG2-O 3.46Å; I1195-T1197 PolarHBondContact O-N 2.95Å; T1197-K1199 PolarHBondContact O-N 2.83Å
1198I70.7Confident65.6Low0 Ų068.6 Ų68.60%033%0.332CS..EExtended strand (participates in β ladder)trans-62.5132.2-170-49.6110.9000112.1V1141 A1152 W1153 I1154 K1155 F1185 L1189 I1190 I1195V1141-I1198 HydrophobicContact CB-CD1 4.15Å; V1141-I1198 HydrophobicContact CG1-CD1 4.2Å; V1141-I1198 HydrophobicContact CG2-CD1 4.28Å; A1152-I1198 HydrophobicContact CB-CD1 3.43Å; A1152-I1198 VanDerWaalsContact CB-CD1 3.43Å; A1152-I1198 HydrophobicContact CB-CG1 4.13Å; W1153-I1198 PolarHBondContact O-N 2.94Å; I1154-I1198 HydrophobicContact CB-CD1 4.47Å; I1154-I1198 HydrophobicContact CG1-CB 4.38Å; I1154-I1198 HydrophobicContact CG1-CD1 3.71Å; K1155-I1198 CarbonylContact C-O 3.59Å; K1155-I1198 PolarHBondContact N-O 2.79Å; K1155-I1198 VanDerWaalsContact N-O 3.08Å; F1185-I1198 HydrophobicContact CD1-CG2 4.04Å; L1189-I1198 HydrophobicContact CB-CG2 3.76Å; I1190-I1198 HydrophobicContact CB-CD1 4.47Å; I1190-I1198 HydrophobicContact CB-CG1 4.37Å; I1190-I1198 HydrophobicContact CD1-CD1 4.35Å; I1190-I1198 HydrophobicContact CG1-CD1 3.56Å; I1190-I1198 HydrophobicContact CG1-CG1 3.62Å; I1190-I1198 HydrophobicContact CG1-CG2 4.32Å; I1195-I1198 HydrophobicContact CG2-CG1 4.43Å
1199K77Confident66.4Low141 Ų14166.6 Ų66.661%0.61332%0.319SS*.  trans-106.7159.2176.7-67.9176.4-175.2173.40110.3L1189 T1197L1189-K1199 WeakPolarHBondContact CD1-O 3.32Å; T1197-K1199 PolarHBondContact O-N 2.83Å
1200P68.5Low66.4Low38 Ų3864.9 Ų64.925%0.24731%0.31CS..  trans-72.5153-179.230-38.7000114.2Y1183 R1184 F1185Y1183-P1200 HydrophobicContact CD1-CB 3.43Å; Y1183-P1200 VanDerWaalsContact CD1-CB 3.43Å; Y1183-P1200 HydrophobicContact CD1-CG 3.4Å; Y1183-P1200 HydrophobicContact CE1-CB 4.24Å; Y1183-P1200 HydrophobicContact CE1-CG 3.7Å; Y1183-P1200 HydrophobicContact CG-CB 4.1Å; Y1183-P1200 HydrophobicContact CG-CG 4.3Å; R1184-P1200 WeakPolarHBondContact O-CA 3.34Å; F1185-P1200 HydrophobicContact CE1-CB 4.33Å; F1185-P1200 HydrophobicContact CZ-CB 4.37Å
1201N64.3Low66.4Low42 Ų4268.6 Ų68.623%0.22533%0.325CS..SBendtrans-98.2-22.7174.470.3-22.6000113.7R1184 D1186 L1189R1184-N1201 WeakPolarHBondContact CB-OD1 3.28Å; R1184-N1201 WeakPolarHBondContact CD-OD1 3.46Å; R1184-N1201 VanDerWaalsContact CG-OD1 3.22Å; R1184-N1201 WeakPolarHBondContact CG-OD1 3.49Å; R1184-N1201 VanDerWaalsContact CZ-ND2 3.27Å; R1184-N1201 PolarHBondContact NE-ND2 2.8Å; R1184-N1201 VanDerWaalsContact NE-ND2 3.19Å; R1184-N1201 PolarHBondContact NH2-ND2 3.26Å; R1184-N1201 PolarHBondContact O-N 3.21Å; R1184-N1201 PolarHBondContact O-OD1 2.96Å; D1186-N1201 HydrophobicContact CB-CB 3.91Å; D1186-N1201 WeakPolarHBondContact CB-ND2 3.28Å; D1186-N1201 VanDerWaalsContact CG-ND2 3.32Å; D1186-N1201 PolarHBondContact OD2-ND2 3.38Å; L1189-N1201 HydrophobicContact CD1-CB 3.93Å
1202F71.1Confident67.1Low2 Ų269.1 Ų69.11%0.00932%0.323CS..EExtended strand (participates in β ladder)trans-145.6112-174.4154.8-80.8000105.8R1184 L1204 I1280 R1283R1184-F1202 HydrophobicContact CB-CB 4.02Å; R1184-F1202 HydrophobicContact CB-CD1 3.43Å; R1184-F1202 VanDerWaalsContact CB-CD1 3.43Å; R1184-F1202 HydrophobicContact CB-CE1 4.19Å; R1184-F1202 HydrophobicContact CB-CG 4.15Å; R1184-F1202 HydrophobicContact CG-CD1 4.39Å; R1184-F1202 PolarHBondContact N-O 2.7Å; F1202-L1204 HydrophobicContact CD1-CD2 4.37Å; F1202-L1204 HydrophobicContact CD1-CG 4.05Å; F1202-L1204 HydrophobicContact CD2-CD2 4.44Å; F1202-L1204 HydrophobicContact CE1-CD1 3.52Å; F1202-L1204 HydrophobicContact CE1-CD2 3.63Å; F1202-L1204 HydrophobicContact CE1-CG 3.34Å; F1202-L1204 HydrophobicContact CE2-CD2 3.65Å; F1202-L1204 HydrophobicContact CE2-CG 4.33Å; F1202-L1204 HydrophobicContact CZ-CD1 3.72Å; F1202-L1204 HydrophobicContact CZ-CD2 3.21Å; F1202-L1204 HydrophobicContact CZ-CG 3.52Å; F1202-I1280 HydrophobicContact CE2-CG2 4.48Å; F1202-I1280 WeakPolarHBondContact CE2-O 3.18Å; F1202-I1280 HydrophobicContact CZ-CG2 4.06Å; F1202-R1283 HydrophobicContact CD2-CB 4.5Å; F1202-R1283 HydrophobicContact CD2-CG 3.83Å; F1202-R1283 HydrophobicContact CE2-CB 4.13Å; F1202-R1283 HydrophobicContact CE2-CG 3.76Å
1203E79Confident67.2Low78 Ų7869.3 Ų69.336%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-97.3125.3170.6-177.9-165.4167.700107.3Q1181 Y1183 N1205Q1181-E1203 HydrophobicContact CG-CG 4.39Å; Q1181-E1203 PolarHBondContact NE2-OE1 3.14Å; Y1183-E1203 HydrophobicContact CD1-CB 4.45Å; Y1183-E1203 HydrophobicContact CD1-CG 4.38Å; Y1183-E1203 HydrophobicContact CE1-CB 4.27Å; Y1183-E1203 HydrophobicContact CE1-CG 3.87Å; E1203-N1205 HydrophobicContact CG-CB 4.19Å; E1203-N1205 PolarHBondContact O-N 3.33Å; E1203-N1205 WeakPolarHBondContact OE1-CB 3.34Å; E1203-N1205 PolarHBondContact OE1-ND2 2.88Å
1204L82.1Confident67.5Low1 Ų163.8 Ų63.81%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-89.189.8164.1-67.6176.5000108I1182 F1202 L1262 W1278I1182-L1204 HydrophobicContact CB-CB 4.16Å; I1182-L1204 HydrophobicContact CB-CD1 4.14Å; I1182-L1204 HydrophobicContact CD1-CB 4.25Å; I1182-L1204 HydrophobicContact CD1-CD1 3.8Å; I1182-L1204 HydrophobicContact CG2-CD1 4.45Å; I1182-L1204 PolarHBondContact O-N 3.3Å; I1182-L1204 VanDerWaalsContact O-N 3.09Å; F1202-L1204 HydrophobicContact CD1-CD2 4.37Å; F1202-L1204 HydrophobicContact CD1-CG 4.05Å; F1202-L1204 HydrophobicContact CD2-CD2 4.44Å; F1202-L1204 HydrophobicContact CE1-CD1 3.52Å; F1202-L1204 HydrophobicContact CE1-CD2 3.63Å; F1202-L1204 HydrophobicContact CE1-CG 3.34Å; F1202-L1204 HydrophobicContact CE2-CD2 3.65Å; F1202-L1204 HydrophobicContact CE2-CG 4.33Å; F1202-L1204 HydrophobicContact CZ-CD1 3.72Å; F1202-L1204 HydrophobicContact CZ-CD2 3.21Å; F1202-L1204 HydrophobicContact CZ-CG 3.52Å; L1204-L1262 HydrophobicContact CD1-CD2 4.47Å; L1204-W1278 HydrophobicContact CB-CD2 4.02Å; L1204-W1278 HydrophobicContact CB-CE3 4.04Å; L1204-W1278 HydrophobicContact CB-CH2 3.79Å; L1204-W1278 HydrophobicContact CB-CZ2 3.78Å; L1204-W1278 HydrophobicContact CB-CZ3 3.91Å; L1204-W1278 HydrophobicContact CD1-CB 3.83Å; L1204-W1278 HydrophobicContact CD1-CD2 3.69Å; L1204-W1278 HydrophobicContact CD1-CE3 4.11Å; L1204-W1278 HydrophobicContact CD1-CG 3.59Å; L1204-W1278 HydrophobicContact CD2-CD2 3.94Å; L1204-W1278 HydrophobicContact CD2-CE3 3.43Å; L1204-W1278 VanDerWaalsContact CD2-CE3 3.43Å; L1204-W1278 HydrophobicContact CD2-CG 4.5Å; L1204-W1278 HydrophobicContact CD2-CH2 4.46Å; L1204-W1278 HydrophobicContact CD2-CZ3 3.72Å; L1204-W1278 HydrophobicContact CG-CD2 4.07Å; L1204-W1278 HydrophobicContact CG-CE3 4.03Å; L1204-W1278 HydrophobicContact CG-CG 4.46Å; L1204-W1278 HydrophobicContact CG-CZ3 4.31Å
1205N78.3Confident67.6Low27 Ų2759.8 Ų59.814%0.14428%0.284CS..  trans-86.7113.6178.1-166.8-59.4000110E1203 Y1207 K1208 N1209E1203-N1205 HydrophobicContact CG-CB 4.19Å; E1203-N1205 PolarHBondContact O-N 3.33Å; E1203-N1205 WeakPolarHBondContact OE1-CB 3.34Å; E1203-N1205 PolarHBondContact OE1-ND2 2.88Å; N1205-Y1207 PolarHBondContact OD1-N 2.96Å; N1205-K1208 HydrophobicContact CB-CB 3.99Å; N1205-K1208 PolarHBondContact OD1-N 3.03Å; N1205-N1209 PolarHBondContact O-ND2 2.75Å
1206L69.4Low67.7Low5 Ų562.7 Ų62.73%0.02629%0.294CS..Hα-helixtrans-56.6-51.5176.8-145.979.3000111N1209 I1210 W1233 L1241 Y1266 I1274 W1278 L1285L1206-N1209 PolarHBondContact O-N 2.71Å; L1206-I1210 WeakPolarHBondContact O-CG1 3.36Å; L1206-I1210 PolarHBondContact O-N 2.98Å; L1206-W1233 HydrophobicContact CD1-CH2 3.89Å; L1206-W1233 HydrophobicContact CD2-CH2 3.95Å; L1206-W1233 HydrophobicContact CD2-CZ3 4.42Å; L1206-W1233 HydrophobicContact CG-CH2 3.86Å; L1206-W1233 HydrophobicContact CG-CZ3 4.29Å; L1206-L1241 HydrophobicContact CD2-CD1 4.28Å; L1206-L1241 HydrophobicContact CD2-CD2 4.24Å; L1206-Y1266 HydrophobicContact CD1-CD2 4.42Å; L1206-Y1266 HydrophobicContact CD1-CE2 3.65Å; L1206-I1274 HydrophobicContact CD2-CD1 4.34Å; L1206-W1278 HydrophobicContact CD1-CH2 4.47Å; L1206-W1278 HydrophobicContact CD1-CZ2 3.84Å; L1206-L1285 HydrophobicContact CD1-CD2 3.92Å; L1206-L1285 HydrophobicContact CG-CD2 4.27Å
1207Y74Confident67.6Low25 Ų2556.6 Ų56.610%0.09828%0.28CS..Hα-helixtrans-77.4-34.5-168.4-175.4-92.6000114.2N1205 N1209 I1210 K1211 D1242N1205-Y1207 PolarHBondContact OD1-N 2.96Å; Y1207-N1209 VanDerWaalsContact C-N 3.26Å; Y1207-N1209 PolarHBondContact O-N 2.89Å; Y1207-I1210 WeakPolarHBondContact O-CB 3.46Å; Y1207-I1210 PolarHBondContact O-N 3.5Å; Y1207-I1210 VanDerWaalsContact O-N 3.15Å; Y1207-K1211 HydrophobicContact CE1-CD 3.76Å; Y1207-K1211 HydrophobicContact CE1-CG 4.41Å; Y1207-K1211 PolarHBondContact O-N 2.97Å; Y1207-K1211 WeakPolarHBondContact OH-CE 3.39Å; Y1207-K1211 PolarHBondContact OH-NZ 3.29Å; Y1207-D1242 WeakPolarHBondContact CE2-OD1 3.35Å; Y1207-D1242 VanDerWaalsContact CZ-OD1 3.23Å; Y1207-D1242 PolarHBondContact OH-OD1 2.84Å
1208K71.9Confident67Low138 Ų13859.9 Ų59.960%0.630%0.295SS*.Hα-helixtrans-64.9-33.7175.3-172.3174179.5175.50111.4N1205 N1212N1205-K1208 HydrophobicContact CB-CB 3.99Å; N1205-K1208 PolarHBondContact OD1-N 3.03Å; K1208-N1212 WeakPolarHBondContact O-CB 3.05Å; K1208-N1212 PolarHBondContact O-N 3.19Å
1209N77.7Confident65.3Low27 Ų2763.8 Ų63.814%0.14432%0.322CS..Hα-helixtrans-67.1-46.5169.7-78.7-74.2000111N1205 L1206 Y1207 K1211 N1212 I1213 L1285N1205-N1209 PolarHBondContact O-ND2 2.75Å; L1206-N1209 PolarHBondContact O-N 2.71Å; Y1207-N1209 VanDerWaalsContact C-N 3.26Å; Y1207-N1209 PolarHBondContact O-N 2.89Å; N1209-K1211 VanDerWaalsContact C-N 3.32Å; N1209-K1211 PolarHBondContact O-N 2.91Å; N1209-N1212 CarbonylContact O-C 3.44Å; N1209-N1212 PolarHBondContact O-N 2.76Å; N1209-N1212 VanDerWaalsContact O-N 3.16Å; N1209-I1213 WeakPolarHBondContact O-CB 3.37Å; N1209-I1213 WeakPolarHBondContact O-CD1 3.43Å; N1209-I1213 VanDerWaalsContact O-CG1 3.25Å; N1209-I1213 WeakPolarHBondContact O-CG1 3.38Å; N1209-I1213 PolarHBondContact O-N 2.76Å; N1209-L1285 HydrophobicContact CB-CB 4.27Å
1210I66.3Low63.9Low9 Ų962.3 Ų62.35%0.04632%0.317CS..Hα-helixtrans-55.2-44.9175.2-63.3165.7000111.5L1206 Y1207 I1213 Q1214 W1233 M1238 L1241L1206-I1210 WeakPolarHBondContact O-CG1 3.36Å; L1206-I1210 PolarHBondContact O-N 2.98Å; Y1207-I1210 WeakPolarHBondContact O-CB 3.46Å; Y1207-I1210 PolarHBondContact O-N 3.5Å; Y1207-I1210 VanDerWaalsContact O-N 3.15Å; I1210-I1213 WeakPolarHBondContact O-CB 3.3Å; I1210-I1213 PolarHBondContact O-N 3.2Å; I1210-Q1214 WeakPolarHBondContact O-CG 3.37Å; I1210-Q1214 PolarHBondContact O-N 3.22Å; I1210-W1233 HydrophobicContact CD1-CE3 4.3Å; I1210-W1233 HydrophobicContact CD1-CZ3 3.93Å; I1210-W1233 HydrophobicContact CG1-CZ3 4.31Å; I1210-M1238 HydrophobicContact CD1-CE 4.48Å; I1210-M1238 HydrophobicContact CD1-SD 3.91Å; I1210-M1238 HydrophobicContact CG1-CE 4.28Å; I1210-M1238 HydrophobicContact CG1-SD 4.26Å; I1210-M1238 HydrophobicContact CG2-CE 4.13Å; I1210-M1238 HydrophobicContact CG2-SD 3.83Å; I1210-L1241 HydrophobicContact CD1-CD1 4.37Å
1211K65.5Low62.3Low89 Ų8965.8 Ų65.839%0.38734%0.338SS..Hα-helixtrans-72.8-30.6177.3-107.9178.3-179.8159.60114.4Y1207 N1209 I1213 Q1214 I1215Y1207-K1211 HydrophobicContact CE1-CD 3.76Å; Y1207-K1211 HydrophobicContact CE1-CG 4.41Å; Y1207-K1211 PolarHBondContact O-N 2.97Å; Y1207-K1211 WeakPolarHBondContact OH-CE 3.39Å; Y1207-K1211 PolarHBondContact OH-NZ 3.29Å; N1209-K1211 VanDerWaalsContact C-N 3.32Å; N1209-K1211 PolarHBondContact O-N 2.91Å; K1211-I1213 VanDerWaalsContact C-N 3.32Å; K1211-Q1214 PolarHBondContact O-N 3.45Å; K1211-I1215 WeakPolarHBondContact O-CG1 3.26Å; K1211-I1215 PolarHBondContact O-N 3.37Å
1212N63.9Low60.5Low87 Ų8768.1 Ų68.147%0.46536%0.357SS..Hα-helixtrans-68.7-32.3168.5-828.3000111.9K1208 N1209 K1216K1208-N1212 WeakPolarHBondContact O-CB 3.05Å; K1208-N1212 PolarHBondContact O-N 3.19Å; N1209-N1212 CarbonylContact O-C 3.44Å; N1209-N1212 PolarHBondContact O-N 2.76Å; N1209-N1212 VanDerWaalsContact O-N 3.16Å; N1212-K1216 VanDerWaalsContact O-CB 3.24Å; N1212-K1216 WeakPolarHBondContact O-CB 3.44Å; N1212-K1216 PolarHBondContact O-N 3.31Å
1213I59.2Low58.5Low75 Ų7574.4 Ų74.439%0.38539%0.39SS..Hα-helixtrans-68.4-38.4171.8-68.9160.6000110.2N1209 I1210 K1211 S1217 F1231N1209-I1213 WeakPolarHBondContact O-CB 3.37Å; N1209-I1213 WeakPolarHBondContact O-CD1 3.43Å; N1209-I1213 VanDerWaalsContact O-CG1 3.25Å; N1209-I1213 WeakPolarHBondContact O-CG1 3.38Å; N1209-I1213 PolarHBondContact O-N 2.76Å; I1210-I1213 WeakPolarHBondContact O-CB 3.3Å; I1210-I1213 PolarHBondContact O-N 3.2Å; K1211-I1213 VanDerWaalsContact C-N 3.32Å; I1213-S1217 VanDerWaalsContact O-CB 3.25Å; I1213-S1217 WeakPolarHBondContact O-CB 3.46Å; I1213-S1217 PolarHBondContact O-N 3.16Å; I1213-S1217 PolarHBondContact O-OG 2.66Å; I1213-F1231 HydrophobicContact CD1-CE1 4.46Å; I1213-F1231 HydrophobicContact CD1-CE2 3.7Å; I1213-F1231 HydrophobicContact CD1-CZ 3.61Å
1214Q60.8Low56.7Low71 Ų7178.4 Ų78.433%0.33241%0.409SS..Hα-helixtrans-65.4-43.7170.9-71.5174.4-15.100112.9I1210 K1211 S1217 L1218I1210-Q1214 WeakPolarHBondContact O-CG 3.37Å; I1210-Q1214 PolarHBondContact O-N 3.22Å; K1211-Q1214 PolarHBondContact O-N 3.45Å; Q1214-S1217 WeakPolarHBondContact CA-OG 3.39Å; Q1214-S1217 CarbonylContact O-C 3.53Å; Q1214-S1217 PolarHBondContact O-N 2.89Å; Q1214-S1217 PolarHBondContact O-OG 2.92Å; Q1214-L1218 WeakPolarHBondContact O-CD1 3.44Å; Q1214-L1218 PolarHBondContact O-N 3.26Å
1215I52.2Low55Low107 Ų10788.3 Ų88.355%0.54945%0.452SS..Hα-helixtrans-75.2-37.6-178.6-67.1169.7000111.3K1211 S1217 L1218 S1219K1211-I1215 WeakPolarHBondContact O-CG1 3.26Å; K1211-I1215 PolarHBondContact O-N 3.37Å; I1215-S1217 VanDerWaalsContact C-N 3.28Å; I1215-S1217 PolarHBondContact O-N 2.89Å; I1215-L1218 WeakPolarHBondContact O-CB 3.37Å; I1215-L1218 PolarHBondContact O-N 3.48Å; I1215-S1219 PolarHBondContact O-N 2.93Å; I1215-S1219 PolarHBondContact O-OG 2.78Å
1216K53.7Low53.3Low112 Ų11295.9 Ų95.949%0.48748%0.483SS..Hα-helixtrans-55.9-47.2165-92.6-179.8146-84.70110N1212 L1218 S1219 E1220N1212-K1216 VanDerWaalsContact O-CB 3.24Å; N1212-K1216 WeakPolarHBondContact O-CB 3.44Å; N1212-K1216 PolarHBondContact O-N 3.31Å; K1216-L1218 PolarHBondContact O-N 3.24Å; K1216-S1219 WeakPolarHBondContact CA-OG 3.43Å; K1216-S1219 CarbonylContact O-C 3.52Å; K1216-S1219 PolarHBondContact O-N 2.98Å; K1216-S1219 VanDerWaalsContact O-N 3.15Å; K1216-S1219 PolarHBondContact O-OG 3.46Å; K1216-E1220 IonicContact NZ-OE1 3.45Å; K1216-E1220 PolarHBondContact NZ-OE1 3.09Å; K1216-E1220 WeakPolarHBondContact O-CA 3.48Å; K1216-E1220 WeakPolarHBondContact O-CB 3.49Å; K1216-E1220 VanDerWaalsContact O-CG 3.25Å; K1216-E1220 WeakPolarHBondContact O-CG 3.22Å; K1216-E1220 PolarHBondContact O-N 2.91Å
1217S53.9Low51.9Low58 Ų58103 Ų10341%0.40652%0.522SS..Hα-helixtrans-70.1-8.117678.30000115I1213 Q1214 I1215 V1221I1213-S1217 VanDerWaalsContact O-CB 3.25Å; I1213-S1217 WeakPolarHBondContact O-CB 3.46Å; I1213-S1217 PolarHBondContact O-N 3.16Å; I1213-S1217 PolarHBondContact O-OG 2.66Å; Q1214-S1217 WeakPolarHBondContact CA-OG 3.39Å; Q1214-S1217 CarbonylContact O-C 3.53Å; Q1214-S1217 PolarHBondContact O-N 2.89Å; Q1214-S1217 PolarHBondContact O-OG 2.92Å; I1215-S1217 VanDerWaalsContact C-N 3.28Å; I1215-S1217 PolarHBondContact O-N 2.89Å; S1217-V1221 WeakPolarHBondContact O-CB 3.5Å; S1217-V1221 WeakPolarHBondContact O-CG2 3.35Å; S1217-V1221 PolarHBondContact O-N 2.93Å
1218L47.1Very low50.7Low126 Ų126109.2 Ų109.266%0.6656%0.557SS**Hα-helixtrans-83.5-45.6164-98.677.1000111.7Q1214 I1215 K1216 E1220 V1221Q1214-L1218 WeakPolarHBondContact O-CD1 3.44Å; Q1214-L1218 PolarHBondContact O-N 3.26Å; I1215-L1218 WeakPolarHBondContact O-CB 3.37Å; I1215-L1218 PolarHBondContact O-N 3.48Å; K1216-L1218 PolarHBondContact O-N 3.24Å; L1218-E1220 VanDerWaalsContact C-N 3.31Å; L1218-V1221 WeakPolarHBondContact O-CB 3.29Å; L1218-V1221 PolarHBondContact O-N 3.02Å
1219S35.7Very low49.7Very low82 Ų82107.8 Ų107.857%0.57356%0.555SS**Hα-helixtrans-71.3-27.1175.753.60000113.4I1215 K1216I1215-S1219 PolarHBondContact O-N 2.93Å; I1215-S1219 PolarHBondContact O-OG 2.78Å; K1216-S1219 WeakPolarHBondContact CA-OG 3.43Å; K1216-S1219 CarbonylContact O-C 3.52Å; K1216-S1219 PolarHBondContact O-N 2.98Å; K1216-S1219 VanDerWaalsContact O-N 3.15Å; K1216-S1219 PolarHBondContact O-OG 3.46Å
1220E47.7Very low48.9Very low109 Ų109109 Ų10951%0.50956%0.563SS.*THydrogen-bonded Turntrans-96.710.9174.4-58.7162.6-176.600110.1K1216 L1218 S1222K1216-E1220 IonicContact NZ-OE1 3.45Å; K1216-E1220 PolarHBondContact NZ-OE1 3.09Å; K1216-E1220 WeakPolarHBondContact O-CA 3.48Å; K1216-E1220 WeakPolarHBondContact O-CB 3.49Å; K1216-E1220 VanDerWaalsContact O-CG 3.25Å; K1216-E1220 WeakPolarHBondContact O-CG 3.22Å; K1216-E1220 PolarHBondContact O-N 2.91Å; L1218-E1220 VanDerWaalsContact C-N 3.31Å; E1220-S1222 VanDerWaalsContact C-N 3.34Å
1221V34.3Very low49.2Very low112 Ų112109.9 Ų109.968%0.67957%0.567SS**  trans-82.9-10.1171.4117.20000112.9S1217 L1218 L1223S1217-V1221 WeakPolarHBondContact O-CB 3.5Å; S1217-V1221 WeakPolarHBondContact O-CG2 3.35Å; S1217-V1221 PolarHBondContact O-N 2.93Å; L1218-V1221 WeakPolarHBondContact O-CB 3.29Å; L1218-V1221 PolarHBondContact O-N 3.02Å; V1221-L1223 PolarHBondContact O-N 2.99Å
1222S27Very low49Very low90 Ų90110.9 Ų110.963%0.62958%0.576SS**SBendtrans-74.867.815962.60000110.8E1220E1220-S1222 VanDerWaalsContact C-N 3.34Å
1223L29.6Very low49.3Very low135 Ų135107.7 Ų107.771%0.70756%0.558SS**SBendtrans66.8142.4165.7-52111.9000116.8V1221V1221-L1223 PolarHBondContact O-N 2.99Å
1224E40.8Very low49.4Very low161 Ų161109.2 Ų109.275%0.75257%0.566SS**  cis-165.4143.4-18.8-124.3179.2-157.100109
1225K45.1Very low49.4Very low209 Ų209110.3 Ų110.391%0.90958%0.582SS**  trans122109.5168.6-70.7157.1-176.8167.70114.8
1226K43Very low49.5Very low186 Ų186112 Ų11281%0.80959%0.588SS**  trans-98.4128.8169.9-65176.3-179.4174.70110.2
1227N39.9Very low49.9Very low155 Ų155108.5 Ų108.583%0.82958%0.576SS**  trans-173.9-33.5152.4-105-10.6000113.7I1229N1227-I1229 VanDerWaalsContact C-N 3.31Å; N1227-I1229 PolarHBondContact O-N 2.71Å
1228N49.5Very low50.6Low156 Ų156107.9 Ų107.983%0.83457%0.567SS**  trans-84.167.8178.7-80.2-5.4000112.2
1229I50.6Low51.2Low108 Ų108106.3 Ų106.355%0.55456%0.559SS**  trans-107.1112.1175.4-56.5176.9000108.1N1227 F1231N1227-I1229 VanDerWaalsContact C-N 3.31Å; N1227-I1229 PolarHBondContact O-N 2.71Å; I1229-F1231 HydrophobicContact CG2-CB 4.11Å; I1229-F1231 HydrophobicContact CG2-CD2 3.9Å; I1229-F1231 HydrophobicContact CG2-CG 4.48Å; I1229-F1231 PolarHBondContact O-N 2.86Å
1230P62Low52.6Low51 Ų51105.3 Ų105.333%0.33155%0.547SS..  trans-79.134.3-173.433.1-36.8000113.9A1287P1230-A1287 WeakPolarHBondContact O-CA 3.25Å
1231F70.9Confident53.6Low29 Ų29100.9 Ų100.913%0.12753%0.527CS..BIsolated β-bridgetrans-127.9111.9-173.9-66.6-89.7000110.7I1213 I1229 W1233 L1285I1213-F1231 HydrophobicContact CD1-CE1 4.46Å; I1213-F1231 HydrophobicContact CD1-CE2 3.7Å; I1213-F1231 HydrophobicContact CD1-CZ 3.61Å; I1229-F1231 HydrophobicContact CG2-CB 4.11Å; I1229-F1231 HydrophobicContact CG2-CD2 3.9Å; I1229-F1231 HydrophobicContact CG2-CG 4.48Å; I1229-F1231 PolarHBondContact O-N 2.86Å; F1231-W1233 HydrophobicContact CD1-CD2 4.45Å; F1231-W1233 AromaticContact CD1-CE3 3.88Å; F1231-W1233 HydrophobicContact CD1-CE3 3.88Å; F1231-W1233 AromaticContact CD1-CZ3 3.94Å; F1231-W1233 HydrophobicContact CD1-CZ3 3.94Å; F1231-W1233 HydrophobicContact CE1-CZ3 4.23Å; F1231-W1233 PolarHBondContact O-N 2.65Å; F1231-L1285 HydrophobicContact CE1-CD2 3.65Å; F1231-L1285 HydrophobicContact CE1-CG 3.73Å; F1231-L1285 HydrophobicContact CZ-CD2 4.42Å; F1231-L1285 HydrophobicContact CZ-CG 4.21Å
1232L62.1Low54.9Low110 Ų11099 Ų9958%0.57651%0.513SS*.  trans-80.244174.4-65.8168.1000111.8L1289 I1358L1232-L1289 HydrophobicContact CD1-CD2 4.45Å; L1232-I1358 HydrophobicContact CD1-CD1 4.33Å; L1232-I1358 HydrophobicContact CD1-CG2 4.19Å
1233W70.7Confident56.2Low20 Ų20101.8 Ų101.88%0.07652%0.516CS..  trans-126109.2-176-60.1-21.5000110.2L1206 I1210 F1231 T1237 M1238 I1274 L1285L1206-W1233 HydrophobicContact CD1-CH2 3.89Å; L1206-W1233 HydrophobicContact CD2-CH2 3.95Å; L1206-W1233 HydrophobicContact CD2-CZ3 4.42Å; L1206-W1233 HydrophobicContact CG-CH2 3.86Å; L1206-W1233 HydrophobicContact CG-CZ3 4.29Å; I1210-W1233 HydrophobicContact CD1-CE3 4.3Å; I1210-W1233 HydrophobicContact CD1-CZ3 3.93Å; I1210-W1233 HydrophobicContact CG1-CZ3 4.31Å; F1231-W1233 HydrophobicContact CD1-CD2 4.45Å; F1231-W1233 AromaticContact CD1-CE3 3.88Å; F1231-W1233 HydrophobicContact CD1-CE3 3.88Å; F1231-W1233 AromaticContact CD1-CZ3 3.94Å; F1231-W1233 HydrophobicContact CD1-CZ3 3.94Å; F1231-W1233 HydrophobicContact CE1-CZ3 4.23Å; F1231-W1233 PolarHBondContact O-N 2.65Å; W1233-T1237 HydrophobicContact CB-CG2 4Å; W1233-T1237 HydrophobicContact CG-CG2 4.29Å; W1233-M1238 HydrophobicContact CB-CE 4.22Å; W1233-M1238 HydrophobicContact CB-SD 4.47Å; W1233-M1238 HydrophobicContact CE3-CE 4Å; W1233-M1238 HydrophobicContact CE3-SD 4.29Å; W1233-I1274 HydrophobicContact CZ2-CD1 3.92Å; W1233-L1285 HydrophobicContact CH2-CD2 3.7Å; W1233-L1285 HydrophobicContact CZ3-CD2 3.92Å
1234D61.8Low57.9Low106 Ų10697.4 Ų97.457%0.56749%0.494SS*.  trans-63.7166.2-177.3-37.2-79.1000113.1E1236 T1237 M1238D1234-E1236 VanDerWaalsContact C-N 3.26Å; D1234-E1236 PolarHBondContact O-N 3.26Å; D1234-T1237 CarbonylContact O-C 3.59Å; D1234-T1237 PolarHBondContact O-N 2.75Å; D1234-T1237 VanDerWaalsContact O-N 3.09Å; D1234-T1237 PolarHBondContact OD2-OG1 3.4Å; D1234-M1238 WeakPolarHBondContact O-CB 3.48Å; D1234-M1238 VanDerWaalsContact O-CG 3.31Å; D1234-M1238 WeakPolarHBondContact O-CG 3.39Å; D1234-M1238 PolarHBondContact O-N 3.02Å
1235S60.8Low59.3Low95 Ų9593.9 Ų93.966%0.66447%0.474SS*.Hα-helixtrans-60.3-34.4171.7480000112.7N1239S1235-N1239 WeakPolarHBondContact O-CB 3.47Å; S1235-N1239 PolarHBondContact O-N 2.86Å; S1235-N1239 PolarHBondContact O-ND2 3.21Å; S1235-N1239 PolarHBondContact O-OD1 3.4Å
1236E53.2Low60.5Low142 Ų14290.6 Ų90.666%0.66446%0.462SS*.Hα-helixtrans-66.5-47.5168.5-76-163.8155.400112D1234 M1238 N1239 I1240D1234-E1236 VanDerWaalsContact C-N 3.26Å; D1234-E1236 PolarHBondContact O-N 3.26Å; E1236-M1238 PolarHBondContact O-N 2.98Å; E1236-N1239 PolarHBondContact O-N 2.91Å; E1236-N1239 VanDerWaalsContact O-N 3.13Å; E1236-I1240 HydrophobicContact CB-CD1 4.49Å; E1236-I1240 VanDerWaalsContact O-CB 3.31Å; E1236-I1240 WeakPolarHBondContact O-CB 3.1Å; E1236-I1240 VanDerWaalsContact O-CG1 3.23Å; E1236-I1240 WeakPolarHBondContact O-CG1 3.43Å; E1236-I1240 PolarHBondContact O-N 2.76Å
1237T63.3Low61.8Low39 Ų3987 Ų8724%0.23945%0.448CS..Hα-helixtrans-57.5-36.6177.6-64.40000111W1233 D1234 L1241W1233-T1237 HydrophobicContact CB-CG2 4Å; W1233-T1237 HydrophobicContact CG-CG2 4.29Å; D1234-T1237 CarbonylContact O-C 3.59Å; D1234-T1237 PolarHBondContact O-N 2.75Å; D1234-T1237 VanDerWaalsContact O-N 3.09Å; D1234-T1237 PolarHBondContact OD2-OG1 3.4Å; T1237-L1241 WeakPolarHBondContact O-CB 3.27Å; T1237-L1241 PolarHBondContact O-N 3.1Å
1238M66.6Low63.4Low44 Ų4479.8 Ų79.822%0.21741%0.409CS..Hα-helixtrans-71.2-44.9173.1-69.7-70.1-157.200113.1I1210 W1233 D1234 E1236 I1240 L1241 D1242I1210-M1238 HydrophobicContact CD1-CE 4.48Å; I1210-M1238 HydrophobicContact CD1-SD 3.91Å; I1210-M1238 HydrophobicContact CG1-CE 4.28Å; I1210-M1238 HydrophobicContact CG1-SD 4.26Å; I1210-M1238 HydrophobicContact CG2-CE 4.13Å; I1210-M1238 HydrophobicContact CG2-SD 3.83Å; W1233-M1238 HydrophobicContact CB-CE 4.22Å; W1233-M1238 HydrophobicContact CB-SD 4.47Å; W1233-M1238 HydrophobicContact CE3-CE 4Å; W1233-M1238 HydrophobicContact CE3-SD 4.29Å; D1234-M1238 WeakPolarHBondContact O-CB 3.48Å; D1234-M1238 VanDerWaalsContact O-CG 3.31Å; D1234-M1238 WeakPolarHBondContact O-CG 3.39Å; D1234-M1238 PolarHBondContact O-N 3.02Å; E1236-M1238 PolarHBondContact O-N 2.98Å; M1238-I1240 VanDerWaalsContact C-N 3.28Å; M1238-I1240 PolarHBondContact O-N 3.25Å; M1238-L1241 CarbonylContact O-C 3.57Å; M1238-L1241 WeakPolarHBondContact O-CA 3.24Å; M1238-L1241 WeakPolarHBondContact O-CB 3.43Å; M1238-L1241 PolarHBondContact O-N 3.11Å; M1238-D1242 PolarHBondContact O-N 2.79Å
1239N60.2Low65.1Low94 Ų9473.6 Ų73.650%0.50338%0.379SS..Hα-helixtrans-61.3-38174.9-74.1-11.2000111.4S1235 E1236 D1242 Q1243S1235-N1239 WeakPolarHBondContact O-CB 3.47Å; S1235-N1239 PolarHBondContact O-N 2.86Å; S1235-N1239 PolarHBondContact O-ND2 3.21Å; S1235-N1239 PolarHBondContact O-OD1 3.4Å; E1236-N1239 PolarHBondContact O-N 2.91Å; E1236-N1239 VanDerWaalsContact O-N 3.13Å; N1239-D1242 WeakPolarHBondContact O-CB 3.39Å; N1239-D1242 PolarHBondContact O-N 2.88Å; N1239-Q1243 WeakPolarHBondContact O-CB 3.17Å; N1239-Q1243 VanDerWaalsContact O-CG 3.3Å; N1239-Q1243 WeakPolarHBondContact O-CG 3.34Å; N1239-Q1243 PolarHBondContact O-N 3.46Å
1240I64.7Low66.7Low60 Ų6068.9 Ų68.931%0.30836%0.355SS..Hα-helixtrans-71.6-30.5174.2-67165.8000110.6E1236 M1238 D1242 Q1243 V1244E1236-I1240 HydrophobicContact CB-CD1 4.49Å; E1236-I1240 VanDerWaalsContact O-CB 3.31Å; E1236-I1240 WeakPolarHBondContact O-CB 3.1Å; E1236-I1240 VanDerWaalsContact O-CG1 3.23Å; E1236-I1240 WeakPolarHBondContact O-CG1 3.43Å; E1236-I1240 PolarHBondContact O-N 2.76Å; M1238-I1240 VanDerWaalsContact C-N 3.28Å; M1238-I1240 PolarHBondContact O-N 3.25Å; I1240-D1242 VanDerWaalsContact C-N 3.34Å; I1240-Q1243 PolarHBondContact O-N 3.21Å; I1240-V1244 HydrophobicContact CG2-CB 4.39Å; I1240-V1244 HydrophobicContact CG2-CG2 3.91Å; I1240-V1244 WeakPolarHBondContact O-CA 3.41Å; I1240-V1244 WeakPolarHBondContact O-CB 3.46Å; I1240-V1244 WeakPolarHBondContact O-CG2 3.38Å; I1240-V1244 PolarHBondContact O-N 3.11Å
1241L69.1Low67.6Low17 Ų1771.4 Ų71.49%0.08936%0.361CS..Hα-helixtrans-71.5-27.5169.6-127.2154.4000112.6L1206 I1210 T1237 M1238 R1245L1206-L1241 HydrophobicContact CD2-CD1 4.28Å; L1206-L1241 HydrophobicContact CD2-CD2 4.24Å; I1210-L1241 HydrophobicContact CD1-CD1 4.37Å; T1237-L1241 WeakPolarHBondContact O-CB 3.27Å; T1237-L1241 PolarHBondContact O-N 3.1Å; M1238-L1241 CarbonylContact O-C 3.57Å; M1238-L1241 WeakPolarHBondContact O-CA 3.24Å; M1238-L1241 WeakPolarHBondContact O-CB 3.43Å; M1238-L1241 PolarHBondContact O-N 3.11Å; L1241-R1245 WeakPolarHBondContact O-CA 3.12Å; L1241-R1245 WeakPolarHBondContact O-CB 3.46Å
1242D61.5Low67.9Low72 Ų7274.8 Ų74.839%0.38538%0.375SS..Hα-helixtrans-73.3-44.3169.2-110.7-38.1000111.2Y1207 M1238 N1239 I1240Y1207-D1242 WeakPolarHBondContact CE2-OD1 3.35Å; Y1207-D1242 VanDerWaalsContact CZ-OD1 3.23Å; Y1207-D1242 PolarHBondContact OH-OD1 2.84Å; M1238-D1242 PolarHBondContact O-N 2.79Å; N1239-D1242 WeakPolarHBondContact O-CB 3.39Å; N1239-D1242 PolarHBondContact O-N 2.88Å; I1240-D1242 VanDerWaalsContact C-N 3.34Å
1243Q55.1Low69Low149 Ų14969.8 Ų69.870%0.69635%0.349SS*.Hα-helixtrans-73.3-46.6-179.6-72.3172.1-0.400114.2N1239 I1240N1239-Q1243 WeakPolarHBondContact O-CB 3.17Å; N1239-Q1243 VanDerWaalsContact O-CG 3.3Å; N1239-Q1243 WeakPolarHBondContact O-CG 3.34Å; N1239-Q1243 PolarHBondContact O-N 3.46Å; I1240-Q1243 PolarHBondContact O-N 3.21Å
1244V65.7Low69.4Low42 Ų4270.8 Ų70.826%0.25535%0.353SS..SBendtrans-111.516.5-165-158.70000112.2I1240 H1246 Q1247I1240-V1244 HydrophobicContact CG2-CB 4.39Å; I1240-V1244 HydrophobicContact CG2-CG2 3.91Å; I1240-V1244 WeakPolarHBondContact O-CA 3.41Å; I1240-V1244 WeakPolarHBondContact O-CB 3.46Å; I1240-V1244 WeakPolarHBondContact O-CG2 3.38Å; I1240-V1244 PolarHBondContact O-N 3.11Å; V1244-H1246 PolarHBondContact O-N 3.39Å; V1244-Q1247 HydrophobicContact CG1-CG 4.38Å; V1244-Q1247 PolarHBondContact O-N 3.43Å
1245R69Low70.3Confident88 Ų8867.4 Ų67.433%0.33233%0.334SS..G310 helixtrans-41.3-28.3-173.9-165.2168.7159.7-160.3-7.9117.4L1179 L1241L1179-R1245 HydrophobicContact CD2-CG 4.38Å; L1241-R1245 WeakPolarHBondContact O-CA 3.12Å; L1241-R1245 WeakPolarHBondContact O-CB 3.46Å
1246H69.8Low70.9Confident139 Ų13963 Ų6364%0.64430%0.304SS*.G310 helixtrans-76.5-23.5-167-66-87.3000115.4V1244V1244-H1246 PolarHBondContact O-N 3.39Å
1247Q70.3Confident71.1Confident110 Ų11060.6 Ų60.651%0.51430%0.3SS..G310 helixtrans-87.5-8.9-162.7-61.8-176.8-1.800115.6V1244 V1268 N1269V1244-Q1247 HydrophobicContact CG1-CG 4.38Å; V1244-Q1247 PolarHBondContact O-N 3.43Å; Q1247-V1268 CarbonylContact C-O 3.48Å; Q1247-V1268 VanDerWaalsContact C-O 3.31Å; Q1247-V1268 WeakPolarHBondContact CB-O 3.46Å; Q1247-N1269 PolarHBondContact OE1-ND2 2.85Å; Q1247-N1269 PolarHBondContact OE1-OD1 3.4Å
1248V74.7Confident71.1Confident4 Ų461.3 Ų61.32%0.02430%0.303CS..  trans-77.2130.7-163.1-174.10000114.4S1178 L1179 G1180 Y1266 N1267 V1268S1178-V1248 CarbonylContact C-O 3.46Å; S1178-V1248 WeakPolarHBondContact CA-O 3.5Å; L1179-V1248 CarbonylContact C-O 3.5Å; L1179-V1248 PolarHBondContact N-O 2.88Å; G1180-V1248 VanDerWaalsContact CA-CG1 3.48Å; G1180-V1248 PolarHBondContact N-O 3.29Å; V1248-Y1266 HydrophobicContact CG1-CD1 4.37Å; V1248-Y1266 HydrophobicContact CG1-CG 4.34Å; V1248-N1267 CarbonylContact C-O 3.51Å; V1248-N1267 VanDerWaalsContact C-O 3.29Å; V1248-N1267 WeakPolarHBondContact CA-O 3.11Å; V1248-N1267 WeakPolarHBondContact CG1-O 3.43Å; V1248-V1268 HydrophobicContact CG2-CG1 4.11Å
1249S84.5Confident71.1Confident27 Ų2761.1 Ų61.119%0.18930%0.301CS..EExtended strand (participates in β ladder)trans-140.6154.1-172.3650000117.8K1177 Y1266 N1267K1177-S1249 VanDerWaalsContact O-CB 3.22Å; K1177-S1249 WeakPolarHBondContact O-CB 3.48Å; S1249-Y1266 CarbonylContact O-C 3.5Å; S1249-Y1266 WeakPolarHBondContact O-CA 3.27Å; S1249-N1267 PolarHBondContact N-O 3.32Å; S1249-N1267 PolarHBondContact O-N 2.74Å; S1249-N1267 WeakPolarHBondContact OG-CB 3.39Å
1250V84.9Confident71.9Confident8 Ų861.5 Ų61.55%0.04830%0.298CS..EExtended strand (participates in β ladder)trans-104.1132.3-170.8-174.10000113.6C1176 I1182 L1265 Y1266C1176-V1250 PolarHBondContact O-N 3.25Å; I1182-V1250 HydrophobicContact CG1-CG2 4.06Å; V1250-L1265 WeakPolarHBondContact CA-O 3.43Å; V1250-Y1266 HydrophobicContact CG2-CD1 3.69Å; V1250-Y1266 HydrophobicContact CG2-CE1 3.62Å
1251K80.9Confident72.7Confident105 Ų10558.9 Ų58.946%0.45728%0.284SS..EExtended strand (participates in β ladder)trans-103.4-47.8-173.8-169.1178.6-177.2-179.20116.8L1265 H1293K1251-L1265 HydrophobicContact CB-CD2 4.11Å; K1251-L1265 HydrophobicContact CD-CD2 4.04Å; K1251-L1265 PolarHBondContact N-O 3.2Å; K1251-H1293 PolarHBondContact NZ-O 2.92Å
1252K77.9Confident73.6Confident99 Ų9958 Ų5843%0.4328%0.28SS..EExtended strand (participates in β ladder)trans-150.8154.5-173.4-175.6167173.81780110.2I1162 W1254I1162-K1252 HydrophobicContact CD1-CG 4.24Å; K1252-W1254 HydrophobicContact CB-CE3 4.44Å; K1252-W1254 HydrophobicContact CB-CH2 3.91Å; K1252-W1254 HydrophobicContact CB-CZ3 3.78Å; K1252-W1254 HydrophobicContact CD-CH2 3.61Å; K1252-W1254 HydrophobicContact CD-CZ2 3.54Å; K1252-W1254 HydrophobicContact CD-CZ3 4.19Å; K1252-W1254 VanDerWaalsContact CE-CZ2 3.49Å; K1252-W1254 HydrophobicContact CG-CD2 4.33Å; K1252-W1254 HydrophobicContact CG-CE3 4.06Å; K1252-W1254 HydrophobicContact CG-CH2 3.7Å; K1252-W1254 HydrophobicContact CG-CZ2 3.96Å; K1252-W1254 HydrophobicContact CG-CZ3 3.74Å
1253L83.8Confident74.7Confident5 Ų554.6 Ų54.63%0.02626%0.262CS..EExtended strand (participates in β ladder)trans-128.9140-174.2-68.9163.4000110.2I1162 L1173 I1182 L1262 A1264I1162-L1253 HydrophobicContact CG2-CD1 3.95Å; I1162-L1253 HydrophobicContact CG2-CG 4.42Å; L1173-L1253 VanDerWaalsContact C-CD1 3.43Å; L1173-L1253 HydrophobicContact CB-CD1 3.67Å; L1173-L1253 WeakPolarHBondContact O-CD1 3.36Å; I1182-L1253 HydrophobicContact CG2-CD2 4.06Å; L1253-L1262 HydrophobicContact CD2-CD1 4.41Å; L1253-L1262 HydrophobicContact CD2-CD2 4.15Å; L1253-L1262 HydrophobicContact CD2-CG 4.49Å; L1253-A1264 HydrophobicContact CD2-CB 4.36Å
1254W80Confident76.2Confident42 Ų4247.5 Ų47.516%0.15923%0.229CC..EExtended strand (participates in β ladder)trans-132138.9171.4-64.6-105.3000108.6K1252 S1295 I1297 F1299K1252-W1254 HydrophobicContact CB-CE3 4.44Å; K1252-W1254 HydrophobicContact CB-CH2 3.91Å; K1252-W1254 HydrophobicContact CB-CZ3 3.78Å; K1252-W1254 HydrophobicContact CD-CH2 3.61Å; K1252-W1254 HydrophobicContact CD-CZ2 3.54Å; K1252-W1254 HydrophobicContact CD-CZ3 4.19Å; K1252-W1254 VanDerWaalsContact CE-CZ2 3.49Å; K1252-W1254 HydrophobicContact CG-CD2 4.33Å; K1252-W1254 HydrophobicContact CG-CE3 4.06Å; K1252-W1254 HydrophobicContact CG-CH2 3.7Å; K1252-W1254 HydrophobicContact CG-CZ2 3.96Å; K1252-W1254 HydrophobicContact CG-CZ3 3.74Å; W1254-S1295 WeakPolarHBondContact CH2-O 3.34Å; W1254-I1297 HydrophobicContact CB-CG2 4.46Å; W1254-I1297 HydrophobicContact CD2-CB 3.83Å; W1254-I1297 HydrophobicContact CD2-CG2 4.29Å; W1254-I1297 HydrophobicContact CE3-CB 4.07Å; W1254-I1297 HydrophobicContact CE3-CD1 4.03Å; W1254-I1297 HydrophobicContact CE3-CG1 4.4Å; W1254-I1297 HydrophobicContact CG-CB 4.25Å; W1254-I1297 HydrophobicContact CG-CG2 4.27Å; W1254-I1297 HydrophobicContact CH2-CB 4.2Å; W1254-I1297 HydrophobicContact CH2-CD1 4.35Å; W1254-I1297 HydrophobicContact CH2-CG1 4.21Å; W1254-I1297 HydrophobicContact CZ2-CB 3.97Å; W1254-I1297 HydrophobicContact CZ2-CG1 4.43Å; W1254-I1297 HydrophobicContact CZ3-CB 4.26Å; W1254-I1297 HydrophobicContact CZ3-CD1 3.88Å; W1254-I1297 HydrophobicContact CZ3-CG1 4.2Å; W1254-I1297 PolarHBondContact NE1-O 2.83Å; W1254-F1299 HydrophobicContact CB-CD2 4.38Å; W1254-F1299 HydrophobicContact CB-CE2 3.77Å
1255I79.7Confident77.1Confident35 Ų3545.6 Ų45.618%0.17922%0.217CC..EExtended strand (participates in β ladder)trans-112.3136.2176.1-46.4174.2000106.8Q1164 A1165 N1166 L1173 E1259 F1299Q1164-I1255 HydrophobicContact CG-CD1 3.91Å; Q1164-I1255 HydrophobicContact CG-CG1 4.25Å; A1165-I1255 WeakPolarHBondContact O-CD1 3.5Å; N1166-I1255 HydrophobicContact CB-CD1 4.09Å; L1173-I1255 HydrophobicContact CD1-CD1 3.75Å; L1173-I1255 HydrophobicContact CD1-CG1 3.8Å; I1255-E1259 HydrophobicContact CG2-CB 4.44Å; I1255-E1259 HydrophobicContact CG2-CG 4.33Å; I1255-F1299 VanDerWaalsContact C-CE2 3.44Å
1256S73.2Confident78Confident3 Ų341.4 Ų41.42%0.02120%0.201CC..  trans-67150.3171.657.10000110.9D1258 E1259 K1260 Y1261S1256-D1258 WeakPolarHBondContact CB-OD1 3.49Å; S1256-D1258 PolarHBondContact O-N 2.76Å; S1256-D1258 PolarHBondContact OG-OD1 3Å; S1256-E1259 PolarHBondContact O-N 3.4Å; S1256-K1260 PolarHBondContact OG-N 2.95Å; S1256-Y1261 PolarHBondContact N-O 3.46Å; S1256-Y1261 PolarHBondContact OG-N 3.17Å; S1256-Y1261 VanDerWaalsContact OG-N 3.1Å
1257P57.4Low78.4Confident90 Ų9035.8 Ų35.858%0.58418%0.176SC*.THydrogen-bonded Turntrans-59.9-17.3-179.6-26.335.6000115.1
1258D63.2Low78.3Confident55 Ų5531.7 Ų31.729%0.29416%0.158SC..THydrogen-bonded Turntrans-96.45.1175.572.5-16.4000114S1256 K1260S1256-D1258 WeakPolarHBondContact CB-OD1 3.49Å; S1256-D1258 PolarHBondContact O-N 2.76Å; S1256-D1258 PolarHBondContact OG-OD1 3Å; D1258-K1260 HydrophobicContact CB-CG 4.47Å; D1258-K1260 PolarHBondContact O-N 2.91Å; D1258-K1260 VanDerWaalsContact O-N 3.09Å; D1258-K1260 PolarHBondContact OD1-N 2.99Å; D1258-K1260 VanDerWaalsContact OD2-CD 3.28Å; D1258-K1260 WeakPolarHBondContact OD2-CD 3.47Å; D1258-K1260 WeakPolarHBondContact OD2-CE 3.38Å; D1258-K1260 VanDerWaalsContact OD2-CG 3.3Å; D1258-K1260 WeakPolarHBondContact OD2-CG 3.43Å; D1258-K1260 IonicContact OD2-NZ 2.86Å; D1258-K1260 PolarHBondContact OD2-NZ 3.35Å
1259E67.8Low77.6Confident39 Ų3934.3 Ų34.318%0.18217%0.172CC..SBendtrans56.517-179.4-53.6-172.4176.400115.5N1166 I1167 R1168 I1255 S1256N1166-E1259 HydrophobicContact CB-CG 4.43Å; N1166-E1259 WeakPolarHBondContact CB-OE1 3.44Å; N1166-E1259 PolarHBondContact ND2-OE1 3.25Å; N1166-E1259 PolarHBondContact ND2-OE2 2.83Å; I1167-E1259 PolarHBondContact N-OE1 3.31Å; R1168-E1259 IonicContact NE-OE2 2.79Å; R1168-E1259 PolarHBondContact NE-OE2 2.98Å; I1255-E1259 HydrophobicContact CG2-CB 4.44Å; I1255-E1259 HydrophobicContact CG2-CG 4.33Å; S1256-E1259 PolarHBondContact O-N 3.4Å
1260K76.8Confident76.6Confident102 Ų10238.4 Ų38.444%0.44319%0.192SC..  trans-82.5-38.4-179.6-66-167.4-162.9103.10114.7S1256 D1258 I1280S1256-K1260 PolarHBondContact OG-N 2.95Å; D1258-K1260 HydrophobicContact CB-CG 4.47Å; D1258-K1260 PolarHBondContact O-N 2.91Å; D1258-K1260 VanDerWaalsContact O-N 3.09Å; D1258-K1260 PolarHBondContact OD1-N 2.99Å; D1258-K1260 VanDerWaalsContact OD2-CD 3.28Å; D1258-K1260 WeakPolarHBondContact OD2-CD 3.47Å; D1258-K1260 WeakPolarHBondContact OD2-CE 3.38Å; D1258-K1260 VanDerWaalsContact OD2-CG 3.3Å; D1258-K1260 WeakPolarHBondContact OD2-CG 3.43Å; D1258-K1260 IonicContact OD2-NZ 2.86Å; D1258-K1260 PolarHBondContact OD2-NZ 3.35Å; K1260-I1280 PolarHBondContact O-N 3.09Å; K1260-I1280 VanDerWaalsContact O-N 3.1Å
1261Y81.2Confident75.5Confident5 Ų548.8 Ų48.82%0.0223%0.232CC..EExtended strand (participates in β ladder)trans-117.5143.5-168.4-59.4-67.9000112.1S1256 I1286 F1326 N1327S1256-Y1261 PolarHBondContact N-O 3.46Å; S1256-Y1261 PolarHBondContact OG-N 3.17Å; S1256-Y1261 VanDerWaalsContact OG-N 3.1Å; Y1261-I1286 HydrophobicContact CE1-CD1 4.47Å; Y1261-F1326 HydrophobicContact CD2-CD2 4.29Å; Y1261-F1326 HydrophobicContact CE1-CB 4.17Å; Y1261-F1326 HydrophobicContact CE1-CD1 4.32Å; Y1261-F1326 HydrophobicContact CE1-CD2 4.49Å; Y1261-F1326 HydrophobicContact CE1-CG 4.07Å; Y1261-F1326 HydrophobicContact CE2-CB 4.25Å; Y1261-F1326 HydrophobicContact CE2-CD2 4.12Å; Y1261-F1326 HydrophobicContact CE2-CG 4.3Å; Y1261-F1326 AromaticContact CZ-CG 3.95Å; Y1261-F1326 WeakPolarHBondContact OH-CB 3.33Å; Y1261-N1327 PolarHBondContact OH-ND2 3.42Å; Y1261-N1327 VanDerWaalsContact OH-ND2 3.16Å
1262L87.6Confident74.8Confident0 Ų051.4 Ų51.40%024%0.239CC..EExtended strand (participates in β ladder)trans-125.1127.8173.6-174.6152.8000109.9L1173 I1182 L1204 L1253 A1264 W1278 I1280L1173-L1262 HydrophobicContact CD1-CD1 3.56Å; L1173-L1262 HydrophobicContact CD2-CD1 3.57Å; L1173-L1262 HydrophobicContact CG-CD1 4.1Å; I1182-L1262 HydrophobicContact CD1-CD2 3.83Å; I1182-L1262 HydrophobicContact CG2-CD1 4.48Å; I1182-L1262 HydrophobicContact CG2-CD2 4.48Å; L1204-L1262 HydrophobicContact CD1-CD2 4.47Å; L1253-L1262 HydrophobicContact CD2-CD1 4.41Å; L1253-L1262 HydrophobicContact CD2-CD2 4.15Å; L1253-L1262 HydrophobicContact CD2-CG 4.49Å; L1262-A1264 HydrophobicContact CD2-CB 3.84Å; L1262-W1278 HydrophobicContact CB-CB 4.43Å; L1262-W1278 PolarHBondContact N-O 3.17Å; L1262-W1278 PolarHBondContact O-N 3.27Å; L1262-I1280 HydrophobicContact CB-CD1 3.9Å; L1262-I1280 HydrophobicContact CB-CG1 3.81Å
1263A84.7Confident74.9Confident0 Ų047.4 Ų47.40%022%0.222CC..EExtended strand (participates in β ladder)trans-107.4130.4172.300000110I1297 F1299 L1308A1263-I1297 HydrophobicContact CB-CD1 3.89Å; A1263-I1297 HydrophobicContact CB-CG2 4.25Å; A1263-F1299 HydrophobicContact CB-CZ 4.25Å; A1263-L1308 HydrophobicContact CB-CD1 3.59Å
1264A87.9Confident75Confident0 Ų048.1 Ų48.10%023%0.226CC..EExtended strand (participates in β ladder)trans-138.1127.2-178.200000111.8I1182 L1253 L1262 I1275 G1276I1182-A1264 HydrophobicContact CD1-CB 3.33Å; I1182-A1264 HydrophobicContact CG1-CB 3.89Å; L1253-A1264 HydrophobicContact CD2-CB 4.36Å; L1262-A1264 HydrophobicContact CD2-CB 3.84Å; A1264-I1275 WeakPolarHBondContact O-CA 3.46Å; A1264-I1275 WeakPolarHBondContact O-CG2 3.48Å; A1264-G1276 PolarHBondContact N-O 2.89Å; A1264-G1276 PolarHBondContact O-N 3.39Å
1265L83.4Confident75.1Confident1 Ų146.2 Ų46.21%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-83.9126.8171.2178.271.4000110.1V1250 K1251 L1273 I1275V1250-L1265 WeakPolarHBondContact CA-O 3.43Å; K1251-L1265 HydrophobicContact CB-CD2 4.11Å; K1251-L1265 HydrophobicContact CD-CD2 4.04Å; K1251-L1265 PolarHBondContact N-O 3.2Å; L1265-L1273 HydrophobicContact CD1-CB 4.28Å; L1265-L1273 HydrophobicContact CD1-CD2 4.17Å; L1265-L1273 HydrophobicContact CD2-CD2 4.09Å; L1265-L1273 HydrophobicContact CG-CD2 4.13Å; L1265-I1275 HydrophobicContact CD1-CD1 4.21Å; L1265-I1275 HydrophobicContact CD1-CG1 3.67Å
1266Y87.7Confident75.4Confident0 Ų044.6 Ų44.60%021%0.21CC..EExtended strand (participates in β ladder)trans-107.8132.5170.9-58-67000111.6G1180 I1182 L1206 V1248 S1249 V1250 L1273 I1274 W1278G1180-Y1266 VanDerWaalsContact C-CE1 3.46Å; G1180-Y1266 WeakPolarHBondContact O-CE1 3.42Å; G1180-Y1266 VanDerWaalsContact O-CZ 3.32Å; G1180-Y1266 PolarHBondContact O-OH 2.82Å; I1182-Y1266 HydrophobicContact CD1-CE1 4.23Å; I1182-Y1266 WeakPolarHBondContact CD1-OH 3.46Å; I1182-Y1266 HydrophobicContact CG1-CE1 4.01Å; L1206-Y1266 HydrophobicContact CD1-CD2 4.42Å; L1206-Y1266 HydrophobicContact CD1-CE2 3.65Å; V1248-Y1266 HydrophobicContact CG1-CD1 4.37Å; V1248-Y1266 HydrophobicContact CG1-CG 4.34Å; S1249-Y1266 CarbonylContact O-C 3.5Å; S1249-Y1266 WeakPolarHBondContact O-CA 3.27Å; V1250-Y1266 HydrophobicContact CG2-CD1 3.69Å; V1250-Y1266 HydrophobicContact CG2-CE1 3.62Å; Y1266-L1273 CarbonylContact O-C 3.5Å; Y1266-L1273 WeakPolarHBondContact O-CA 3.13Å; Y1266-L1273 WeakPolarHBondContact O-CB 3.21Å; Y1266-I1274 WeakPolarHBondContact CA-O 3.04Å; Y1266-I1274 WeakPolarHBondContact CB-O 3.32Å; Y1266-I1274 HydrophobicContact CD2-CG1 4.15Å; Y1266-I1274 HydrophobicContact CG-CG1 4.44Å; Y1266-I1274 PolarHBondContact N-O 2.87Å; Y1266-I1274 PolarHBondContact O-N 3.44Å; Y1266-W1278 AromaticContact CZ-NE1 3.99Å; Y1266-W1278 VanDerWaalsContact OH-CZ2 3.27Å; Y1266-W1278 WeakPolarHBondContact OH-CZ2 3.26Å; Y1266-W1278 PolarHBondContact OH-NE1 2.61Å; Y1266-W1278 VanDerWaalsContact OH-NE1 3.11Å
1267N77.8Confident75.9Confident21 Ų2144.5 Ų44.511%0.11221%0.209CC..EExtended strand (participates in β ladder)trans-81.6154.1156.7-17811.9000109.4V1248 S1249 D1270 R1272 L1273V1248-N1267 CarbonylContact C-O 3.51Å; V1248-N1267 VanDerWaalsContact C-O 3.29Å; V1248-N1267 WeakPolarHBondContact CA-O 3.11Å; V1248-N1267 WeakPolarHBondContact CG1-O 3.43Å; S1249-N1267 PolarHBondContact N-O 3.32Å; S1249-N1267 PolarHBondContact O-N 2.74Å; S1249-N1267 WeakPolarHBondContact OG-CB 3.39Å; N1267-D1270 PolarHBondContact ND2-OD1 2.91Å; N1267-D1270 WeakPolarHBondContact OD1-CA 3.06Å; N1267-D1270 PolarHBondContact OD1-N 2.89Å; N1267-R1272 PolarHBondContact OD1-O 3.3Å; N1267-L1273 HydrophobicContact CB-CD2 3.78Å; N1267-L1273 HydrophobicContact CB-CG 4.16Å
1268V69.1Low77.2Confident25 Ų2540.2 Ų40.215%0.15218%0.182CC..SBendtrans-120.3-62.3-179.5-170.40000110.8Q1247 V1248 R1272 I1274Q1247-V1268 CarbonylContact C-O 3.48Å; Q1247-V1268 VanDerWaalsContact C-O 3.31Å; Q1247-V1268 WeakPolarHBondContact CB-O 3.46Å; V1248-V1268 HydrophobicContact CG2-CG1 4.11Å; V1268-R1272 WeakPolarHBondContact CA-O 3.37Å; V1268-R1272 HydrophobicContact CB-CB 4.26Å; V1268-R1272 VanDerWaalsContact CB-O 3.32Å; V1268-R1272 WeakPolarHBondContact CB-O 3.46Å; V1268-R1272 PolarHBondContact N-O 3.38Å; V1268-I1274 HydrophobicContact CG2-CD1 3.98Å; V1268-I1274 HydrophobicContact CG2-CG1 3.86Å; V1268-I1274 HydrophobicContact CG2-CG2 4.22Å
1269N60.6Low78.1Confident59 Ų5939.1 Ų39.132%0.31618%0.175SC..SBendtrans-135.239.4179.3-71.148.5000111.1Q1247 Y1271Q1247-N1269 PolarHBondContact OE1-ND2 2.85Å; Q1247-N1269 PolarHBondContact OE1-OD1 3.4Å; N1269-Y1271 VanDerWaalsContact O-CD2 3.3Å; N1269-Y1271 WeakPolarHBondContact O-CD2 3.38Å; N1269-Y1271 PolarHBondContact O-N 3.12Å
1270D62.9Low78.6Confident112 Ų11238.4 Ų38.460%0.59917%0.172SC*.SBendtrans61.7-40.3-170.9-67.1-41.7000116.2N1267N1267-D1270 PolarHBondContact ND2-OD1 2.91Å; N1267-D1270 WeakPolarHBondContact OD1-CA 3.06Å; N1267-D1270 PolarHBondContact OD1-N 2.89Å
1271Y61.3Low78.3Confident227 Ų22739.9 Ų39.989%0.8919%0.185SC*.SBendtrans-87.6-17.5178.1-55.9-77.1000114.1N1269N1269-Y1271 VanDerWaalsContact O-CD2 3.3Å; N1269-Y1271 WeakPolarHBondContact O-CD2 3.38Å; N1269-Y1271 PolarHBondContact O-N 3.12Å
1272R65.9Low77.8Confident159 Ų15941.6 Ų41.660%0.620%0.198SC*.  trans-120.7132.1176.7-69.3-175.5178.8-170-0.1109.2N1267 V1268N1267-R1272 PolarHBondContact OD1-O 3.3Å; V1268-R1272 WeakPolarHBondContact CA-O 3.37Å; V1268-R1272 HydrophobicContact CB-CB 4.26Å; V1268-R1272 VanDerWaalsContact CB-O 3.32Å; V1268-R1272 WeakPolarHBondContact CB-O 3.46Å; V1268-R1272 PolarHBondContact N-O 3.38Å
1273L80.9Confident77.4Confident15 Ų1547.6 Ų47.68%0.07922%0.22CC..EExtended strand (participates in β ladder)trans-128.6153.8171.9-63.1107.2000109.4L1265 Y1266 N1267 G1291L1265-L1273 HydrophobicContact CD1-CB 4.28Å; L1265-L1273 HydrophobicContact CD1-CD2 4.17Å; L1265-L1273 HydrophobicContact CD2-CD2 4.09Å; L1265-L1273 HydrophobicContact CG-CD2 4.13Å; Y1266-L1273 CarbonylContact O-C 3.5Å; Y1266-L1273 WeakPolarHBondContact O-CA 3.13Å; Y1266-L1273 WeakPolarHBondContact O-CB 3.21Å; N1267-L1273 HydrophobicContact CB-CD2 3.78Å; N1267-L1273 HydrophobicContact CB-CG 4.16Å; L1273-G1291 WeakPolarHBondContact CB-O 3.32Å; L1273-G1291 PolarHBondContact O-N 3.48Å
1274I85.2Confident77Confident20 Ų2051.2 Ų51.210%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-136.6158.7177.860.4-177000109.7L1206 W1233 Y1266 V1268 L1289L1206-I1274 HydrophobicContact CD2-CD1 4.34Å; W1233-I1274 HydrophobicContact CZ2-CD1 3.92Å; Y1266-I1274 WeakPolarHBondContact CA-O 3.04Å; Y1266-I1274 WeakPolarHBondContact CB-O 3.32Å; Y1266-I1274 HydrophobicContact CD2-CG1 4.15Å; Y1266-I1274 HydrophobicContact CG-CG1 4.44Å; Y1266-I1274 PolarHBondContact N-O 2.87Å; Y1266-I1274 PolarHBondContact O-N 3.44Å; V1268-I1274 HydrophobicContact CG2-CD1 3.98Å; V1268-I1274 HydrophobicContact CG2-CG1 3.86Å; V1268-I1274 HydrophobicContact CG2-CG2 4.22Å; I1274-L1289 CarbonylContact C-O 3.5Å; I1274-L1289 VanDerWaalsContact CA-O 3.26Å; I1274-L1289 WeakPolarHBondContact CA-O 3.09Å; I1274-L1289 WeakPolarHBondContact CB-O 3.23Å
1275I84Confident76.6Confident3 Ų351.7 Ų51.72%0.01524%0.242CC..EExtended strand (participates in β ladder)trans-120.2126.2176.6-63169.6000108.2A1264 L1265 I1277 G1288 L1289 H1310A1264-I1275 WeakPolarHBondContact O-CA 3.46Å; A1264-I1275 WeakPolarHBondContact O-CG2 3.48Å; L1265-I1275 HydrophobicContact CD1-CD1 4.21Å; L1265-I1275 HydrophobicContact CD1-CG1 3.67Å; I1275-I1277 HydrophobicContact CG2-CG1 4.45Å; I1275-G1288 CarbonylContact O-C 3.42Å; I1275-G1288 WeakPolarHBondContact O-CA 3.46Å; I1275-L1289 HydrophobicContact CB-CB 4.15Å; I1275-L1289 HydrophobicContact CB-CD1 4.37Å; I1275-L1289 HydrophobicContact CG2-CD1 4.34Å; I1275-L1289 PolarHBondContact N-O 3.2Å; I1275-L1289 PolarHBondContact O-N 3.45Å; I1275-H1310 WeakPolarHBondContact CD1-CE1 3.39Å
1276G85.8Confident76.4Confident0 Ų052.5 Ų52.50%025%0.246CC..EExtended strand (participates in β ladder)trans-100.6133.9170.300000110.5A1264 W1278A1264-G1276 PolarHBondContact N-O 2.89Å; A1264-G1276 PolarHBondContact O-N 3.39Å; G1276-W1278 VanDerWaalsContact O-CD1 3.32Å
1277I82Confident76Confident1 Ų152.5 Ų52.51%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-108.4129176.1-47.2178.6000109.2I1275 I1286 A1287 L1289 I1324 F1326I1275-I1277 HydrophobicContact CG2-CG1 4.45Å; I1277-I1286 PolarHBondContact O-N 3.04Å; I1277-A1287 HydrophobicContact CB-CB 4.34Å; I1277-A1287 HydrophobicContact CD1-CB 4.24Å; I1277-A1287 HydrophobicContact CG1-CB 4.48Å; I1277-A1287 PolarHBondContact N-O 2.96Å; I1277-L1289 HydrophobicContact CD1-CD1 4.16Å; I1277-L1289 HydrophobicContact CD1-CG 4.47Å; I1277-I1324 HydrophobicContact CD1-CB 4.22Å; I1277-I1324 HydrophobicContact CD1-CD1 4.01Å; I1277-I1324 HydrophobicContact CD1-CG1 3.81Å; I1277-I1324 HydrophobicContact CD1-CG2 3.91Å; I1277-F1326 HydrophobicContact CD1-CE1 4.34Å; I1277-F1326 HydrophobicContact CD1-CZ 4.29Å; I1277-F1326 HydrophobicContact CG2-CE1 3.68Å; I1277-F1326 HydrophobicContact CG2-CZ 3.74Å
1278W85.6Confident76.3Confident0 Ų051.5 Ų51.50%024%0.24CC..EExtended strand (participates in β ladder)trans-127.2131-165.9-62.296.9000111.7I1182 L1204 L1206 L1262 Y1266 G1276 L1285I1182-W1278 VanDerWaalsContact CD1-NE1 3.34Å; L1204-W1278 HydrophobicContact CB-CD2 4.02Å; L1204-W1278 HydrophobicContact CB-CE3 4.04Å; L1204-W1278 HydrophobicContact CB-CH2 3.79Å; L1204-W1278 HydrophobicContact CB-CZ2 3.78Å; L1204-W1278 HydrophobicContact CB-CZ3 3.91Å; L1204-W1278 HydrophobicContact CD1-CB 3.83Å; L1204-W1278 HydrophobicContact CD1-CD2 3.69Å; L1204-W1278 HydrophobicContact CD1-CE3 4.11Å; L1204-W1278 HydrophobicContact CD1-CG 3.59Å; L1204-W1278 HydrophobicContact CD2-CD2 3.94Å; L1204-W1278 HydrophobicContact CD2-CE3 3.43Å; L1204-W1278 VanDerWaalsContact CD2-CE3 3.43Å; L1204-W1278 HydrophobicContact CD2-CG 4.5Å; L1204-W1278 HydrophobicContact CD2-CH2 4.46Å; L1204-W1278 HydrophobicContact CD2-CZ3 3.72Å; L1204-W1278 HydrophobicContact CG-CD2 4.07Å; L1204-W1278 HydrophobicContact CG-CE3 4.03Å; L1204-W1278 HydrophobicContact CG-CG 4.46Å; L1204-W1278 HydrophobicContact CG-CZ3 4.31Å; L1206-W1278 HydrophobicContact CD1-CH2 4.47Å; L1206-W1278 HydrophobicContact CD1-CZ2 3.84Å; L1262-W1278 HydrophobicContact CB-CB 4.43Å; L1262-W1278 PolarHBondContact N-O 3.17Å; L1262-W1278 PolarHBondContact O-N 3.27Å; Y1266-W1278 AromaticContact CZ-NE1 3.99Å; Y1266-W1278 VanDerWaalsContact OH-CZ2 3.27Å; Y1266-W1278 WeakPolarHBondContact OH-CZ2 3.26Å; Y1266-W1278 PolarHBondContact OH-NE1 2.61Å; Y1266-W1278 VanDerWaalsContact OH-NE1 3.11Å; G1276-W1278 VanDerWaalsContact O-CD1 3.32Å; W1278-L1285 HydrophobicContact CD2-CB 4.46Å; W1278-L1285 HydrophobicContact CD2-CD1 3.95Å; W1278-L1285 HydrophobicContact CE3-CB 3.85Å; W1278-L1285 HydrophobicContact CE3-CD1 4.21Å; W1278-L1285 HydrophobicContact CH2-CB 3.75Å; W1278-L1285 HydrophobicContact CH2-CD1 4.14Å; W1278-L1285 HydrophobicContact CH2-CD2 4.31Å; W1278-L1285 HydrophobicContact CH2-CG 4.29Å; W1278-L1285 HydrophobicContact CZ2-CB 4.34Å; W1278-L1285 HydrophobicContact CZ2-CD1 3.83Å; W1278-L1285 HydrophobicContact CZ2-CD2 4.46Å; W1278-L1285 HydrophobicContact CZ2-CG 4.43Å; W1278-L1285 HydrophobicContact CZ3-CB 3.47Å; W1278-L1285 VanDerWaalsContact CZ3-CB 3.47Å; W1278-L1285 HydrophobicContact CZ3-CD1 4.32Å; W1278-L1285 HydrophobicContact CZ3-CG 4.38Å
1279Q81.1Confident76.9Confident32 Ų3250.5 Ų50.515%0.1523%0.234CC..EExtended strand (participates in β ladder)trans-86.3114.6166.8-174.1-178.644.600107.7N1281 S1282 R1283 L1284 I1286Q1279-N1281 PolarHBondContact O-N 3.31Å; Q1279-S1282 PolarHBondContact O-N 3.44Å; Q1279-S1282 VanDerWaalsContact OE1-CB 3.26Å; Q1279-S1282 PolarHBondContact OE1-OG 2.64Å; Q1279-R1283 PolarHBondContact O-N 2.8Å; Q1279-L1284 PolarHBondContact N-O 2.95Å; Q1279-I1286 HydrophobicContact CB-CD1 3.66Å; Q1279-I1286 HydrophobicContact CB-CG1 4Å
1280I78.2Confident77.9Confident24 Ų2452.3 Ų52.312%0.12324%0.241CC..THydrogen-bonded Turntrans-63.1-33-170.2-55.6-179.8000111.2F1202 K1260 L1262F1202-I1280 HydrophobicContact CE2-CG2 4.48Å; F1202-I1280 WeakPolarHBondContact CE2-O 3.18Å; F1202-I1280 HydrophobicContact CZ-CG2 4.06Å; K1260-I1280 PolarHBondContact O-N 3.09Å; K1260-I1280 VanDerWaalsContact O-N 3.1Å; L1262-I1280 HydrophobicContact CB-CD1 3.9Å; L1262-I1280 HydrophobicContact CB-CG1 3.81Å
1281N71.3Confident78.7Confident133 Ų13347 Ų4771%0.71121%0.213SC*.THydrogen-bonded Turntrans-73.5-45.1-176.6-67.9-6.9000114Q1279Q1279-N1281 PolarHBondContact O-N 3.31Å
1282S71.4Confident79.5Confident42 Ų4237.3 Ų37.329%0.29418%0.175SC..THydrogen-bonded Turntrans-85.8-14.5-175.662.30000113.7Q1279 L1284Q1279-S1282 PolarHBondContact O-N 3.44Å; Q1279-S1282 VanDerWaalsContact OE1-CB 3.26Å; Q1279-S1282 PolarHBondContact OE1-OG 2.64Å; S1282-L1284 PolarHBondContact O-N 3.31Å; S1282-L1284 PolarHBondContact OG-N 3.23Å
1283R79.3Confident79.5Confident125 Ų12534.9 Ų34.947%0.47217%0.17SC..  trans61.98.4-169.8-36.6-164.9171.3-151.8-6114.3F1202 Q1279F1202-R1283 HydrophobicContact CD2-CB 4.5Å; F1202-R1283 HydrophobicContact CD2-CG 3.83Å; F1202-R1283 HydrophobicContact CE2-CB 4.13Å; F1202-R1283 HydrophobicContact CE2-CG 3.76Å; Q1279-R1283 PolarHBondContact O-N 2.8Å
1284L75.8Confident79.1Confident77 Ų7738.2 Ų38.240%0.40319%0.188SC..  trans-76.6134.1178.7-65.7173.7000110.5Q1279 S1282 I1286Q1279-L1284 PolarHBondContact N-O 2.95Å; S1282-L1284 PolarHBondContact O-N 3.31Å; S1282-L1284 PolarHBondContact OG-N 3.23Å; L1284-I1286 PolarHBondContact O-N 2.95Å
1285L79Confident78.8Confident10 Ų1037.9 Ų37.95%0.05219%0.187CC..EExtended strand (participates in β ladder)trans-73.1113.4159.6-179.557.4000106.9L1206 N1209 F1231 W1233 W1278 A1287L1206-L1285 HydrophobicContact CD1-CD2 3.92Å; L1206-L1285 HydrophobicContact CG-CD2 4.27Å; N1209-L1285 HydrophobicContact CB-CB 4.27Å; F1231-L1285 HydrophobicContact CE1-CD2 3.65Å; F1231-L1285 HydrophobicContact CE1-CG 3.73Å; F1231-L1285 HydrophobicContact CZ-CD2 4.42Å; F1231-L1285 HydrophobicContact CZ-CG 4.21Å; W1233-L1285 HydrophobicContact CH2-CD2 3.7Å; W1233-L1285 HydrophobicContact CZ3-CD2 3.92Å; W1278-L1285 HydrophobicContact CD2-CB 4.46Å; W1278-L1285 HydrophobicContact CD2-CD1 3.95Å; W1278-L1285 HydrophobicContact CE3-CB 3.85Å; W1278-L1285 HydrophobicContact CE3-CD1 4.21Å; W1278-L1285 HydrophobicContact CH2-CB 3.75Å; W1278-L1285 HydrophobicContact CH2-CD1 4.14Å; W1278-L1285 HydrophobicContact CH2-CD2 4.31Å; W1278-L1285 HydrophobicContact CH2-CG 4.29Å; W1278-L1285 HydrophobicContact CZ2-CB 4.34Å; W1278-L1285 HydrophobicContact CZ2-CD1 3.83Å; W1278-L1285 HydrophobicContact CZ2-CD2 4.46Å; W1278-L1285 HydrophobicContact CZ2-CG 4.43Å; W1278-L1285 HydrophobicContact CZ3-CB 3.47Å; W1278-L1285 VanDerWaalsContact CZ3-CB 3.47Å; W1278-L1285 HydrophobicContact CZ3-CD1 4.32Å; W1278-L1285 HydrophobicContact CZ3-CG 4.38Å; L1285-A1287 WeakPolarHBondContact CD1-O 3.45Å
1286I79.8Confident78.6Confident17 Ų1739.7 Ų39.79%0.08720%0.195CC..EExtended strand (participates in β ladder)trans-100.3-24.6-170.3-2.8155.9000113Y1261 I1277 Q1279 L1284 I1354 I1356Y1261-I1286 HydrophobicContact CE1-CD1 4.47Å; I1277-I1286 PolarHBondContact O-N 3.04Å; Q1279-I1286 HydrophobicContact CB-CD1 3.66Å; Q1279-I1286 HydrophobicContact CB-CG1 4Å; L1284-I1286 PolarHBondContact O-N 2.95Å; I1286-I1354 HydrophobicContact CG2-CG2 4.33Å; I1286-I1356 HydrophobicContact CB-CD1 3.46Å; I1286-I1356 VanDerWaalsContact CB-CD1 3.46Å; I1286-I1356 HydrophobicContact CD1-CD1 3.65Å; I1286-I1356 HydrophobicContact CG1-CD1 4.19Å; I1286-I1356 HydrophobicContact CG2-CD1 3.42Å; I1286-I1356 VanDerWaalsContact CG2-CD1 3.42Å; I1286-I1356 HydrophobicContact CG2-CG1 4.44Å
1287A79.5Confident78.4Confident0 Ų039.9 Ų39.90%020%0.196CC..EExtended strand (participates in β ladder)trans-158155.517800000112P1230 I1277 L1285 I1356 I1358P1230-A1287 WeakPolarHBondContact O-CA 3.25Å; I1277-A1287 HydrophobicContact CB-CB 4.34Å; I1277-A1287 HydrophobicContact CD1-CB 4.24Å; I1277-A1287 HydrophobicContact CG1-CB 4.48Å; I1277-A1287 PolarHBondContact N-O 2.96Å; L1285-A1287 WeakPolarHBondContact CD1-O 3.45Å; A1287-I1356 HydrophobicContact CB-CG2 4.25Å; A1287-I1358 HydrophobicContact CB-CD1 3.95Å; A1287-I1358 HydrophobicContact CB-CG1 4.45Å
1288G83.2Confident78.3Confident0 Ų042.9 Ų42.90%021%0.208CC..EExtended strand (participates in β ladder)trans-133.7135.1173.800000113.3I1275I1275-G1288 CarbonylContact O-C 3.42Å; I1275-G1288 WeakPolarHBondContact O-CA 3.46Å
1289L83.1Confident77.8Confident4 Ų444.6 Ų44.62%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-124.9-177.9178.9-41.1169000112L1232 I1274 I1275 I1277 I1324 I1358L1232-L1289 HydrophobicContact CD1-CD2 4.45Å; I1274-L1289 CarbonylContact C-O 3.5Å; I1274-L1289 VanDerWaalsContact CA-O 3.26Å; I1274-L1289 WeakPolarHBondContact CA-O 3.09Å; I1274-L1289 WeakPolarHBondContact CB-O 3.23Å; I1275-L1289 HydrophobicContact CB-CB 4.15Å; I1275-L1289 HydrophobicContact CB-CD1 4.37Å; I1275-L1289 HydrophobicContact CG2-CD1 4.34Å; I1275-L1289 PolarHBondContact N-O 3.2Å; I1275-L1289 PolarHBondContact O-N 3.45Å; I1277-L1289 HydrophobicContact CD1-CD1 4.16Å; I1277-L1289 HydrophobicContact CD1-CG 4.47Å; L1289-I1324 HydrophobicContact CD1-CD1 3.65Å; L1289-I1324 HydrophobicContact CD1-CG1 4.14Å; L1289-I1324 HydrophobicContact CD2-CG1 4.34Å; L1289-I1358 HydrophobicContact CD2-CB 4.44Å; L1289-I1358 HydrophobicContact CD2-CD1 3.89Å; L1289-I1358 HydrophobicContact CD2-CG1 4.22Å; L1289-I1358 HydrophobicContact CD2-CG2 3.38Å
1290Q80.7Confident77.2Confident98 Ų9843.4 Ų43.446%0.45821%0.212SC..EExtended strand (participates in β ladder)trans-100.5137.6173.1-150.8170.646.600110.8Y1292Q1290-Y1292 WeakPolarHBondContact CG-OH 3.44Å; Q1290-Y1292 PolarHBondContact OE1-OH 2.81Å
1291G80.1Confident76.4Confident0 Ų047.5 Ų47.50%023%0.234CC..EExtended strand (participates in β ladder)trans-116.2165.1-16900000115L1273L1273-G1291 WeakPolarHBondContact CB-O 3.32Å; L1273-G1291 PolarHBondContact O-N 3.48Å
1292Y77.5Confident75.7Confident24 Ų2444.1 Ų44.19%0.09422%0.216CC..  trans-151.7158.9-179.1-52.9-75.9000113.3Q1290 N1294 S1295 I1312 K1318 W1320Q1290-Y1292 WeakPolarHBondContact CG-OH 3.44Å; Q1290-Y1292 PolarHBondContact OE1-OH 2.81Å; Y1292-N1294 PolarHBondContact O-N 2.69Å; Y1292-S1295 WeakPolarHBondContact O-CB 3.41Å; Y1292-S1295 PolarHBondContact O-N 2.75Å; Y1292-S1295 PolarHBondContact O-OG 2.89Å; Y1292-I1312 HydrophobicContact CD1-CD1 4.35Å; Y1292-I1312 HydrophobicContact CD2-CD1 3.36Å; Y1292-I1312 HydrophobicContact CD2-CG1 3.98Å; Y1292-I1312 HydrophobicContact CE2-CD1 4.18Å; Y1292-I1312 HydrophobicContact CG-CD1 3.47Å; Y1292-I1312 VanDerWaalsContact CG-CD1 3.47Å; Y1292-I1312 HydrophobicContact CG-CG1 4.19Å; Y1292-K1318 HydrophobicContact CD1-CD 3.49Å; Y1292-K1318 VanDerWaalsContact CD1-CD 3.49Å; Y1292-K1318 VanDerWaalsContact CD1-NZ 3.31Å; Y1292-K1318 HydrophobicContact CE1-CD 3.52Å; Y1292-K1318 VanDerWaalsContact CE1-NZ 3.26Å; Y1292-K1318 HydrophobicContact CG-CD 4.09Å; Y1292-W1320 HydrophobicContact CD2-CH2 4.08Å; Y1292-W1320 HydrophobicContact CD2-CZ2 4.09Å; Y1292-W1320 AromaticContact CE2-CH2 3.42Å; Y1292-W1320 HydrophobicContact CE2-CH2 3.42Å; Y1292-W1320 VanDerWaalsContact CE2-CH2 3.42Å; Y1292-W1320 AromaticContact CE2-CZ2 3.2Å; Y1292-W1320 HydrophobicContact CE2-CZ2 3.2Å; Y1292-W1320 HydrophobicContact CE2-CZ3 4.5Å; Y1292-W1320 AromaticContact CZ-CZ2 3.76Å
1293H66.8Low74.8Confident107 Ų10747.5 Ų47.550%0.49524%0.239SC..THydrogen-bonded Turntrans-60.7-38.9-168.9-76.5-115000115.2K1251K1251-H1293 PolarHBondContact NZ-O 2.92Å
1294N71.2Confident73.5Confident86 Ų8647.4 Ų47.446%0.4625%0.253SS..THydrogen-bonded Turntrans-10024.2-176.5-71.82.8000112.6Y1292 Q1296 I1312 K1313Y1292-N1294 PolarHBondContact O-N 2.69Å; N1294-Q1296 PolarHBondContact O-N 2.94Å; N1294-I1312 HydrophobicContact CB-CG2 3.82Å; N1294-K1313 HydrophobicContact CB-CB 4.16Å; N1294-K1313 WeakPolarHBondContact CB-O 3.5Å; N1294-K1313 PolarHBondContact ND2-O 3.3Å; N1294-K1313 PolarHBondContact O-N 2.77Å
1295S80.3Confident72.7Confident13 Ų1344.7 Ų44.79%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-54.1111.4175.762.30000111.3W1254 Y1292 H1310 F1311W1254-S1295 WeakPolarHBondContact CH2-O 3.34Å; Y1292-S1295 WeakPolarHBondContact O-CB 3.41Å; Y1292-S1295 PolarHBondContact O-N 2.75Å; Y1292-S1295 PolarHBondContact O-OG 2.89Å; S1295-H1310 VanDerWaalsContact CB-NE2 3.31Å; S1295-H1310 WeakPolarHBondContact CB-NE2 3.04Å; S1295-F1311 CarbonylContact C-O 3.53Å; S1295-F1311 VanDerWaalsContact CA-O 3.32Å; S1295-F1311 WeakPolarHBondContact CA-O 3.44Å
1296Q79.4Confident72.3Confident40 Ų4045.3 Ų45.319%0.18725%0.246CC..EExtended strand (participates in β ladder)trans-89.3137.3159.4-73.6-155.725.100108.8N1294 R1298 F1311N1294-Q1296 PolarHBondContact O-N 2.94Å; Q1296-R1298 VanDerWaalsContact OE1-NH2 3.12Å; Q1296-F1311 HydrophobicContact CB-CD1 4.02Å; Q1296-F1311 HydrophobicContact CB-CD2 4.47Å; Q1296-F1311 HydrophobicContact CB-CE1 3.44Å; Q1296-F1311 VanDerWaalsContact CB-CE1 3.44Å; Q1296-F1311 HydrophobicContact CB-CE2 3.95Å; Q1296-F1311 HydrophobicContact CB-CZ 3.41Å; Q1296-F1311 VanDerWaalsContact CB-CZ 3.41Å; Q1296-F1311 HydrophobicContact CG-CE1 4.38Å; Q1296-F1311 HydrophobicContact CG-CE2 4.21Å; Q1296-F1311 HydrophobicContact CG-CZ 3.86Å; Q1296-F1311 PolarHBondContact N-O 3.45Å; Q1296-F1311 PolarHBondContact O-N 3.1Å
1297I82.1Confident72.2Confident4 Ų445 Ų452%0.02124%0.244CC..EExtended strand (participates in β ladder)trans-122.3133.2171.5-66.3-178.3000107W1254 A1263 L1308 I1309W1254-I1297 HydrophobicContact CB-CG2 4.46Å; W1254-I1297 HydrophobicContact CD2-CB 3.83Å; W1254-I1297 HydrophobicContact CD2-CG2 4.29Å; W1254-I1297 HydrophobicContact CE3-CB 4.07Å; W1254-I1297 HydrophobicContact CE3-CD1 4.03Å; W1254-I1297 HydrophobicContact CE3-CG1 4.4Å; W1254-I1297 HydrophobicContact CG-CB 4.25Å; W1254-I1297 HydrophobicContact CG-CG2 4.27Å; W1254-I1297 HydrophobicContact CH2-CB 4.2Å; W1254-I1297 HydrophobicContact CH2-CD1 4.35Å; W1254-I1297 HydrophobicContact CH2-CG1 4.21Å; W1254-I1297 HydrophobicContact CZ2-CB 3.97Å; W1254-I1297 HydrophobicContact CZ2-CG1 4.43Å; W1254-I1297 HydrophobicContact CZ3-CB 4.26Å; W1254-I1297 HydrophobicContact CZ3-CD1 3.88Å; W1254-I1297 HydrophobicContact CZ3-CG1 4.2Å; W1254-I1297 PolarHBondContact NE1-O 2.83Å; A1263-I1297 HydrophobicContact CB-CD1 3.89Å; A1263-I1297 HydrophobicContact CB-CG2 4.25Å; I1297-L1308 HydrophobicContact CG1-CD2 4.41Å; I1297-L1308 HydrophobicContact CG2-CD1 3.81Å; I1297-L1308 HydrophobicContact CG2-CD2 3.93Å; I1297-L1308 HydrophobicContact CG2-CG 3.78Å; I1297-I1309 WeakPolarHBondContact CA-O 3.02Å
1298R79Confident72.3Confident64 Ų6445.1 Ų45.124%0.24224%0.244CC..EExtended strand (participates in β ladder)trans-132.8130.4170.7-61.2-173.1-175.4-1595.1108.1Q1296 I1309 A1371 F1373Q1296-R1298 VanDerWaalsContact OE1-NH2 3.12Å; R1298-I1309 PolarHBondContact N-O 2.99Å; R1298-I1309 PolarHBondContact O-N 2.86Å; R1298-A1371 WeakPolarHBondContact CD-O 3.2Å; R1298-A1371 PolarHBondContact NE-O 3.39Å; R1298-A1371 VanDerWaalsContact NE-O 3.11Å; R1298-A1371 PolarHBondContact NH1-O 3.37Å; R1298-F1373 HydrophobicContact CB-CD2 4.3Å; R1298-F1373 HydrophobicContact CB-CE2 3.92Å
1299F74.7Confident72.3Confident36 Ų3645.3 Ų45.316%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-81.5127.5168.1-71.6-74.6000108.5W1254 I1255 A1263 L1308W1254-F1299 HydrophobicContact CB-CD2 4.38Å; W1254-F1299 HydrophobicContact CB-CE2 3.77Å; I1255-F1299 VanDerWaalsContact C-CE2 3.44Å; A1263-F1299 HydrophobicContact CB-CZ 4.25Å; F1299-L1308 HydrophobicContact CE1-CD1 3.87Å; F1299-L1308 HydrophobicContact CZ-CD1 4.17Å
1300G69.4Low72.3Confident8 Ų845.1 Ų45.18%0.08224%0.244CC..EExtended strand (participates in β ladder)trans-121.8134.2171.300000109.3F1307G1300-F1307 PolarHBondContact N-O 3.26Å; G1300-F1307 PolarHBondContact O-N 3.05Å
1301N61.2Low72.4Confident109 Ų10940.6 Ų40.658%0.58322%0.223SC*.EExtended strand (participates in β ladder)trans-101.8113.9168.2-66.4-0.5000106.9
1302D55.6Low72.4Confident63 Ų6340.8 Ų40.834%0.33722%0.224SC..  trans-86.7177.9158.7-148-50.9000108.6T1304 S1305 F1307 G1377D1302-T1304 PolarHBondContact O-N 3.06Å; D1302-S1305 PolarHBondContact N-O 3.1Å; D1302-F1307 HydrophobicContact CB-CD2 4.11Å; D1302-F1307 HydrophobicContact CB-CE2 3.91Å; D1302-G1377 VanDerWaalsContact OD2-CA 3.23Å; D1302-G1377 WeakPolarHBondContact OD2-CA 3.47Å
1303S52.7Low72.2Confident112 Ų11242.9 Ų42.978%0.78323%0.234SC*.SBendtrans-56.4-25.718050.70000115.3
1304T52.6Low72.4Confident124 Ų12440.4 Ų40.476%0.76123%0.228SC*.SBendtrans-114.7-41.9-172.151.90000114.5D1302D1302-T1304 PolarHBondContact O-N 3.06Å
1305S58.1Low72.2Confident19 Ų1938 Ų3813%0.13322%0.218CC..  trans-141.4152.3-176.157.60000113.1D1302 F1307D1302-S1305 PolarHBondContact N-O 3.1Å; S1305-F1307 WeakPolarHBondContact OG-CE2 3.48Å; S1305-F1307 WeakPolarHBondContact OG-CZ 3.44Å
1306S70.8Confident71.6Confident24 Ų2443.8 Ų43.817%0.16825%0.247CC..EExtended strand (participates in β ladder)trans-79.3116.717154.40000109F1326S1306-F1326 VanDerWaalsContact O-CD2 3.3Å; S1306-F1326 WeakPolarHBondContact O-CD2 3.4Å
1307F78.5Confident71.1Confident11 Ų1150.2 Ų50.25%0.04828%0.276CS..EExtended strand (participates in β ladder)trans-100.3145.2178.9-70.4-71.5000112G1300 D1302 S1305 L1323 I1392 I1396G1300-F1307 PolarHBondContact N-O 3.26Å; G1300-F1307 PolarHBondContact O-N 3.05Å; D1302-F1307 HydrophobicContact CB-CD2 4.11Å; D1302-F1307 HydrophobicContact CB-CE2 3.91Å; S1305-F1307 WeakPolarHBondContact OG-CE2 3.48Å; S1305-F1307 WeakPolarHBondContact OG-CZ 3.44Å; F1307-L1323 HydrophobicContact CD1-CD2 3.66Å; F1307-L1323 HydrophobicContact CD1-CG 4.47Å; F1307-L1323 HydrophobicContact CE1-CD2 3.93Å; F1307-I1392 HydrophobicContact CD2-CD1 4.49Å; F1307-I1392 HydrophobicContact CE1-CG2 4.29Å; F1307-I1392 HydrophobicContact CE2-CG2 4.49Å; F1307-I1392 HydrophobicContact CZ-CG2 4.18Å; F1307-I1396 HydrophobicContact CE1-CD1 4.43Å
1308L82.3Confident70.8Confident2 Ų253.9 Ų53.91%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-114125.8163.1-169.5155.1000108.7A1263 I1297 F1299 H1310 L1323 I1324 F1326A1263-L1308 HydrophobicContact CB-CD1 3.59Å; I1297-L1308 HydrophobicContact CG1-CD2 4.41Å; I1297-L1308 HydrophobicContact CG2-CD1 3.81Å; I1297-L1308 HydrophobicContact CG2-CD2 3.93Å; I1297-L1308 HydrophobicContact CG2-CG 3.78Å; F1299-L1308 HydrophobicContact CE1-CD1 3.87Å; F1299-L1308 HydrophobicContact CZ-CD1 4.17Å; L1308-H1310 HydrophobicContact CD2-CB 4.12Å; L1308-L1323 WeakPolarHBondContact O-CA 3.35Å; L1308-I1324 HydrophobicContact CB-CD1 4.3Å; L1308-I1324 HydrophobicContact CD2-CD1 3.76Å; L1308-I1324 PolarHBondContact N-O 2.89Å; L1308-I1324 PolarHBondContact O-N 2.92Å; L1308-F1326 HydrophobicContact CB-CE2 4.09Å; L1308-F1326 HydrophobicContact CB-CZ 4.3Å
1309I81.4Confident70.8Confident4 Ų452 Ų522%0.02129%0.288CS..EExtended strand (participates in β ladder)trans-104.4128169.1-67.6-179.6000108.8I1297 R1298 F1311 V1321 L1323 F1373 L1379I1297-I1309 WeakPolarHBondContact CA-O 3.02Å; R1298-I1309 PolarHBondContact N-O 2.99Å; R1298-I1309 PolarHBondContact O-N 2.86Å; I1309-F1311 HydrophobicContact CG2-CD1 4.2Å; I1309-V1321 HydrophobicContact CG2-CG1 3.8Å; I1309-L1323 HydrophobicContact CG1-CD1 4.14Å; I1309-L1323 HydrophobicContact CG1-CG 4.45Å; I1309-F1373 HydrophobicContact CB-CZ 4.25Å; I1309-F1373 HydrophobicContact CD1-CD1 4.21Å; I1309-F1373 HydrophobicContact CD1-CE1 3.41Å; I1309-F1373 VanDerWaalsContact CD1-CE1 3.41Å; I1309-F1373 HydrophobicContact CD1-CE2 4.21Å; I1309-F1373 HydrophobicContact CD1-CZ 3.41Å; I1309-F1373 VanDerWaalsContact CD1-CZ 3.41Å; I1309-F1373 HydrophobicContact CG1-CE1 4.08Å; I1309-F1373 HydrophobicContact CG1-CE2 4.49Å; I1309-F1373 HydrophobicContact CG1-CZ 3.66Å; I1309-L1379 HydrophobicContact CD1-CD1 3.7Å; I1309-L1379 HydrophobicContact CD1-CD2 3.99Å; I1309-L1379 HydrophobicContact CD1-CG 4.44Å
1310H84.7Confident71Confident0 Ų050.8 Ų50.80%028%0.283CS..EExtended strand (participates in β ladder)trans-116.1122.2173.4170.1-135.4000109.7I1275 S1295 L1308 W1320 V1321 E1322I1275-H1310 WeakPolarHBondContact CD1-CE1 3.39Å; S1295-H1310 VanDerWaalsContact CB-NE2 3.31Å; S1295-H1310 WeakPolarHBondContact CB-NE2 3.04Å; L1308-H1310 HydrophobicContact CD2-CB 4.12Å; H1310-W1320 AromaticContact CE1-CH2 3.99Å; H1310-W1320 AromaticContact CE1-CZ3 3.93Å; H1310-W1320 AromaticContact ND1-CZ3 3.81Å; H1310-V1321 WeakPolarHBondContact O-CA 3.23Å; H1310-E1322 HydrophobicContact CB-CB 4.07Å; H1310-E1322 IonicContact CE1-OE2 2.7Å; H1310-E1322 IonicContact CG-OE2 3.86Å; H1310-E1322 PolarHBondContact N-O 3.13Å; H1310-E1322 IonicContact ND1-OE2 2.85Å; H1310-E1322 PolarHBondContact ND1-OE2 3.15Å; H1310-E1322 PolarHBondContact O-N 2.96Å
1311F81.2Confident71.4Confident2 Ų250.5 Ų50.51%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-145.1164.317674.2-86.4000110.8S1295 Q1296 I1309 V1321 I1368 A1371S1295-F1311 CarbonylContact C-O 3.53Å; S1295-F1311 VanDerWaalsContact CA-O 3.32Å; S1295-F1311 WeakPolarHBondContact CA-O 3.44Å; Q1296-F1311 HydrophobicContact CB-CD1 4.02Å; Q1296-F1311 HydrophobicContact CB-CD2 4.47Å; Q1296-F1311 HydrophobicContact CB-CE1 3.44Å; Q1296-F1311 VanDerWaalsContact CB-CE1 3.44Å; Q1296-F1311 HydrophobicContact CB-CE2 3.95Å; Q1296-F1311 HydrophobicContact CB-CZ 3.41Å; Q1296-F1311 VanDerWaalsContact CB-CZ 3.41Å; Q1296-F1311 HydrophobicContact CG-CE1 4.38Å; Q1296-F1311 HydrophobicContact CG-CE2 4.21Å; Q1296-F1311 HydrophobicContact CG-CZ 3.86Å; Q1296-F1311 PolarHBondContact N-O 3.45Å; Q1296-F1311 PolarHBondContact O-N 3.1Å; I1309-F1311 HydrophobicContact CG2-CD1 4.2Å; F1311-V1321 HydrophobicContact CB-CG2 4.1Å; F1311-I1368 HydrophobicContact CB-CD1 4.43Å; F1311-I1368 HydrophobicContact CD2-CB 4.22Å; F1311-I1368 HydrophobicContact CD2-CG2 3.43Å; F1311-I1368 VanDerWaalsContact CD2-CG2 3.43Å; F1311-I1368 HydrophobicContact CE2-CG2 3.75Å; F1311-I1368 HydrophobicContact CG-CG2 4.31Å; F1311-A1371 HydrophobicContact CD1-CB 4.03Å; F1311-A1371 HydrophobicContact CE1-CB 3.58Å; F1311-A1371 HydrophobicContact CE2-CB 4.28Å; F1311-A1371 HydrophobicContact CZ-CB 3.71Å; F1311-A1371 VanDerWaalsContact CZ-N 3.3Å
1312I80.4Confident72.4Confident5 Ų545.5 Ų45.53%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-111.9117.4-173-49167.1000110.3Y1292 N1294 S1314 K1318Y1292-I1312 HydrophobicContact CD1-CD1 4.35Å; Y1292-I1312 HydrophobicContact CD2-CD1 3.36Å; Y1292-I1312 HydrophobicContact CD2-CG1 3.98Å; Y1292-I1312 HydrophobicContact CE2-CD1 4.18Å; Y1292-I1312 HydrophobicContact CG-CD1 3.47Å; Y1292-I1312 VanDerWaalsContact CG-CD1 3.47Å; Y1292-I1312 HydrophobicContact CG-CG1 4.19Å; N1294-I1312 HydrophobicContact CB-CG2 3.82Å; I1312-S1314 PolarHBondContact O-N 3.29Å; I1312-K1318 HydrophobicContact CD1-CB 3.51Å; I1312-K1318 HydrophobicContact CD1-CD 4.08Å; I1312-K1318 HydrophobicContact CD1-CG 4.39Å
1313K73.7Confident73.6Confident68 Ų6842.5 Ų42.530%0.29624%0.236SC..THydrogen-bonded Turntrans-64.9119.2177.8-176157.8-179.6124.70111.6N1294 I1368 D1369 E1370N1294-K1313 HydrophobicContact CB-CB 4.16Å; N1294-K1313 WeakPolarHBondContact CB-O 3.5Å; N1294-K1313 PolarHBondContact ND2-O 3.3Å; N1294-K1313 PolarHBondContact O-N 2.77Å; K1313-I1368 CarbonylContact C-O 3.57Å; K1313-I1368 VanDerWaalsContact CA-O 3.22Å; K1313-I1368 WeakPolarHBondContact CA-O 3.47Å; K1313-D1369 WeakPolarHBondContact CD-O 3.33Å; K1313-D1369 WeakPolarHBondContact CE-O 3.25Å; K1313-D1369 VanDerWaalsContact CG-O 3.25Å; K1313-D1369 WeakPolarHBondContact CG-O 3.42Å; K1313-D1369 PolarHBondContact NZ-O 2.76Å; K1313-E1370 IonicContact NZ-OE1 2.72Å; K1313-E1370 PolarHBondContact NZ-OE1 2.86Å
1314S71.7Confident75Confident55 Ų5537.1 Ų37.139%0.38520%0.199SC..THydrogen-bonded Turntrans60.142.6169.3-43.80000116.1I1312 I1368 D1369I1312-S1314 PolarHBondContact O-N 3.29Å; S1314-I1368 PolarHBondContact N-O 3.09Å; S1314-D1369 WeakPolarHBondContact CB-OD1 3.07Å; S1314-D1369 PolarHBondContact OG-OD1 2.97Å
1315S66.7Low76.2Confident35 Ų3533.6 Ų33.625%0.24517%0.174CC..  trans-107.9132.5177-162.30000114.4A1367S1315-A1367 WeakPolarHBondContact O-CA 3.15Å; S1315-A1367 WeakPolarHBondContact O-CB 3.45Å
1316I66.9Low77.1Confident134 Ų13433 Ų3369%0.68717%0.169SC*.SBendtrans-82.9-37.4-174.1-60172.4000113.4T1319 A1367I1316-T1319 VanDerWaalsContact O-CG2 3.3Å; I1316-T1319 WeakPolarHBondContact O-CG2 3.45Å; I1316-A1367 HydrophobicContact CG1-CB 4.46Å
1317H69.6Low76.7Confident175 Ų17536.2 Ų36.281%0.8118%0.184SC*.SBendtrans-86.6-4.5-176.6-59.3-68.3000114.2
1318K75.3Confident75.3Confident81 Ų8136.6 Ų36.635%0.35219%0.189SC..  trans-139.467.1-167.9-63.5175.9-179162.50109.7Y1292 I1312 W1320Y1292-K1318 HydrophobicContact CD1-CD 3.49Å; Y1292-K1318 VanDerWaalsContact CD1-CD 3.49Å; Y1292-K1318 VanDerWaalsContact CD1-NZ 3.31Å; Y1292-K1318 HydrophobicContact CE1-CD 3.52Å; Y1292-K1318 VanDerWaalsContact CE1-NZ 3.26Å; Y1292-K1318 HydrophobicContact CG-CD 4.09Å; I1312-K1318 HydrophobicContact CD1-CB 3.51Å; I1312-K1318 HydrophobicContact CD1-CD 4.08Å; I1312-K1318 HydrophobicContact CD1-CG 4.39Å; K1318-W1320 VanDerWaalsContact C-N 3.3Å; K1318-W1320 PolarHBondContact O-N 2.55Å
1319T78.2Confident73.5Confident26 Ų2643.3 Ų43.316%0.1623%0.23CC..  trans-94.159.8-17150.60000109.7I1316 F1364 T1366I1316-T1319 VanDerWaalsContact O-CG2 3.3Å; I1316-T1319 WeakPolarHBondContact O-CG2 3.45Å; T1319-F1364 WeakPolarHBondContact CB-O 3.21Å; T1319-F1364 WeakPolarHBondContact O-CA 3.31Å; T1319-F1364 WeakPolarHBondContact O-CB 3.46Å; T1319-F1364 PolarHBondContact O-N 3.31Å; T1319-F1364 PolarHBondContact OG1-O 3.01Å; T1319-T1366 VanDerWaalsContact CG2-O 3.32Å; T1319-T1366 WeakPolarHBondContact CG2-O 3.23Å
1320W79.4Confident71.1Confident10 Ų1050.2 Ų50.24%0.03826%0.262CS..  trans-143.2166.7-169.261.3-125.2000113.6Y1292 H1310 K1318 E1322 I1361 D1362Y1292-W1320 HydrophobicContact CD2-CH2 4.08Å; Y1292-W1320 HydrophobicContact CD2-CZ2 4.09Å; Y1292-W1320 AromaticContact CE2-CH2 3.42Å; Y1292-W1320 HydrophobicContact CE2-CH2 3.42Å; Y1292-W1320 VanDerWaalsContact CE2-CH2 3.42Å; Y1292-W1320 AromaticContact CE2-CZ2 3.2Å; Y1292-W1320 HydrophobicContact CE2-CZ2 3.2Å; Y1292-W1320 HydrophobicContact CE2-CZ3 4.5Å; Y1292-W1320 AromaticContact CZ-CZ2 3.76Å; H1310-W1320 AromaticContact CE1-CH2 3.99Å; H1310-W1320 AromaticContact CE1-CZ3 3.93Å; H1310-W1320 AromaticContact ND1-CZ3 3.81Å; K1318-W1320 VanDerWaalsContact C-N 3.3Å; K1318-W1320 PolarHBondContact O-N 2.55Å; W1320-E1322 HydrophobicContact CE3-CG 4.16Å; W1320-E1322 HydrophobicContact CH2-CG 3.76Å; W1320-E1322 WeakPolarHBondContact CH2-OE1 3.42Å; W1320-E1322 WeakPolarHBondContact CH2-OE2 3.17Å; W1320-E1322 HydrophobicContact CZ3-CB 3.88Å; W1320-E1322 VanDerWaalsContact CZ3-CD 3.43Å; W1320-E1322 HydrophobicContact CZ3-CG 3.42Å; W1320-E1322 VanDerWaalsContact CZ3-CG 3.42Å; W1320-I1361 WeakPolarHBondContact CA-O 3.27Å; W1320-I1361 WeakPolarHBondContact CB-O 3.12Å; W1320-D1362 HydrophobicContact CB-CB 4.4Å; W1320-D1362 VanDerWaalsContact CB-OD1 3.25Å; W1320-D1362 WeakPolarHBondContact CB-OD1 3.41Å; W1320-D1362 VanDerWaalsContact CD1-OD1 3.24Å; W1320-D1362 VanDerWaalsContact CG-OD1 3.28Å
1321V78.9Confident68.3Low2 Ų255.5 Ų55.51%0.01230%0.299CS..EExtended strand (participates in β ladder)trans-130.7135.3175.91780000109.8I1309 H1310 F1311 I1361 F1364 I1368I1309-V1321 HydrophobicContact CG2-CG1 3.8Å; H1310-V1321 WeakPolarHBondContact O-CA 3.23Å; F1311-V1321 HydrophobicContact CB-CG2 4.1Å; V1321-I1361 PolarHBondContact N-O 2.85Å; V1321-I1361 WeakPolarHBondContact O-CB 3.42Å; V1321-I1361 PolarHBondContact O-N 2.95Å; V1321-F1364 HydrophobicContact CB-CE2 4.27Å; V1321-F1364 HydrophobicContact CG2-CD2 4.34Å; V1321-F1364 HydrophobicContact CG2-CE2 3.54Å; V1321-F1364 HydrophobicContact CG2-CZ 3.97Å; V1321-I1368 HydrophobicContact CG2-CD1 3.96Å
1322E81.6Confident65.6Low3 Ų361 Ų611%0.01433%0.333CS..EExtended strand (participates in β ladder)trans-103.2139.7167.7-87.3171.9167.800109.8H1310 W1320 H1359 R1360H1310-E1322 HydrophobicContact CB-CB 4.07Å; H1310-E1322 IonicContact CE1-OE2 2.7Å; H1310-E1322 IonicContact CG-OE2 3.86Å; H1310-E1322 PolarHBondContact N-O 3.13Å; H1310-E1322 IonicContact ND1-OE2 2.85Å; H1310-E1322 PolarHBondContact ND1-OE2 3.15Å; H1310-E1322 PolarHBondContact O-N 2.96Å; W1320-E1322 HydrophobicContact CE3-CG 4.16Å; W1320-E1322 HydrophobicContact CH2-CG 3.76Å; W1320-E1322 WeakPolarHBondContact CH2-OE1 3.42Å; W1320-E1322 WeakPolarHBondContact CH2-OE2 3.17Å; W1320-E1322 HydrophobicContact CZ3-CB 3.88Å; W1320-E1322 VanDerWaalsContact CZ3-CD 3.43Å; W1320-E1322 HydrophobicContact CZ3-CG 3.42Å; W1320-E1322 VanDerWaalsContact CZ3-CG 3.42Å; E1322-H1359 WeakPolarHBondContact CA-O 3.31Å; E1322-R1360 HydrophobicContact CG-CB 3.87Å; E1322-R1360 HydrophobicContact CG-CG 3.93Å
1323L81.1Confident62.9Low0 Ų068.9 Ų68.90%037%0.37CS..EExtended strand (participates in β ladder)trans-138.1131.2-176-166.7152.4000110.3F1307 L1308 I1309 H1359 I1361 I1392 I1396F1307-L1323 HydrophobicContact CD1-CD2 3.66Å; F1307-L1323 HydrophobicContact CD1-CG 4.47Å; F1307-L1323 HydrophobicContact CE1-CD2 3.93Å; L1308-L1323 WeakPolarHBondContact O-CA 3.35Å; I1309-L1323 HydrophobicContact CG1-CD1 4.14Å; I1309-L1323 HydrophobicContact CG1-CG 4.45Å; L1323-H1359 PolarHBondContact N-O 3.06Å; L1323-H1359 PolarHBondContact O-N 2.8Å; L1323-I1361 HydrophobicContact CB-CD1 4.42Å; L1323-I1392 HydrophobicContact CD1-CG2 3.87Å; L1323-I1396 HydrophobicContact CD1-CG1 4.46Å; L1323-I1396 HydrophobicContact CD2-CD1 3.76Å; L1323-I1396 HydrophobicContact CD2-CG1 4.01Å
1324I81.6Confident60.4Low0 Ų073.7 Ų73.70%040%0.395CS..EExtended strand (participates in β ladder)trans-124136.3-173.1-52.696.7000110.4I1277 L1289 L1308 F1326 I1356 K1357I1277-I1324 HydrophobicContact CD1-CB 4.22Å; I1277-I1324 HydrophobicContact CD1-CD1 4.01Å; I1277-I1324 HydrophobicContact CD1-CG1 3.81Å; I1277-I1324 HydrophobicContact CD1-CG2 3.91Å; L1289-I1324 HydrophobicContact CD1-CD1 3.65Å; L1289-I1324 HydrophobicContact CD1-CG1 4.14Å; L1289-I1324 HydrophobicContact CD2-CG1 4.34Å; L1308-I1324 HydrophobicContact CB-CD1 4.3Å; L1308-I1324 HydrophobicContact CD2-CD1 3.76Å; L1308-I1324 PolarHBondContact N-O 2.89Å; L1308-I1324 PolarHBondContact O-N 2.92Å; I1324-F1326 HydrophobicContact CB-CE1 4.39Å; I1324-F1326 HydrophobicContact CB-CZ 4.13Å; I1324-F1326 HydrophobicContact CG2-CD1 4.16Å; I1324-F1326 HydrophobicContact CG2-CE1 3.46Å; I1324-F1326 VanDerWaalsContact CG2-CE1 3.46Å; I1324-F1326 HydrophobicContact CG2-CZ 3.7Å; I1324-I1356 HydrophobicContact CG2-CG2 4.36Å; I1324-K1357 WeakPolarHBondContact CG2-O 3.45Å
1325E78.1Confident58.1Low50 Ų5076.9 Ų76.923%0.23441%0.412CS..EExtended strand (participates in β ladder)trans-111.2129.4177.7177.8178.8-121.300110.1K1357E1325-K1357 PolarHBondContact N-O 3Å; E1325-K1357 PolarHBondContact O-N 3.04Å; E1325-K1357 IonicContact OE2-NZ 2.62Å; E1325-K1357 PolarHBondContact OE2-NZ 3.24Å
1326F75.8Confident56.2Low6 Ų680.1 Ų80.13%0.02644%0.435CS..EExtended strand (participates in β ladder)trans-107.1142.7-178.9-55.6-60.5000112.7Y1261 I1277 S1306 L1308 I1324 I1356Y1261-F1326 HydrophobicContact CD2-CD2 4.29Å; Y1261-F1326 HydrophobicContact CE1-CB 4.17Å; Y1261-F1326 HydrophobicContact CE1-CD1 4.32Å; Y1261-F1326 HydrophobicContact CE1-CD2 4.49Å; Y1261-F1326 HydrophobicContact CE1-CG 4.07Å; Y1261-F1326 HydrophobicContact CE2-CB 4.25Å; Y1261-F1326 HydrophobicContact CE2-CD2 4.12Å; Y1261-F1326 HydrophobicContact CE2-CG 4.3Å; Y1261-F1326 AromaticContact CZ-CG 3.95Å; Y1261-F1326 WeakPolarHBondContact OH-CB 3.33Å; I1277-F1326 HydrophobicContact CD1-CE1 4.34Å; I1277-F1326 HydrophobicContact CD1-CZ 4.29Å; I1277-F1326 HydrophobicContact CG2-CE1 3.68Å; I1277-F1326 HydrophobicContact CG2-CZ 3.74Å; S1306-F1326 VanDerWaalsContact O-CD2 3.3Å; S1306-F1326 WeakPolarHBondContact O-CD2 3.4Å; L1308-F1326 HydrophobicContact CB-CE2 4.09Å; L1308-F1326 HydrophobicContact CB-CZ 4.3Å; I1324-F1326 HydrophobicContact CB-CE1 4.39Å; I1324-F1326 HydrophobicContact CB-CZ 4.13Å; I1324-F1326 HydrophobicContact CG2-CD1 4.16Å; I1324-F1326 HydrophobicContact CG2-CE1 3.46Å; I1324-F1326 VanDerWaalsContact CG2-CE1 3.46Å; I1324-F1326 HydrophobicContact CG2-CZ 3.7Å; F1326-I1356 HydrophobicContact CD1-CD1 3.74Å; F1326-I1356 HydrophobicContact CD1-CG1 4.1Å; F1326-I1356 HydrophobicContact CE1-CD1 4.24Å
1327N63.2Low54.1Low92 Ų9281.2 Ų81.249%0.49244%0.442SS..  trans61.659.7-179.4-59.2-27.2000114.7Y1261 L1355Y1261-N1327 PolarHBondContact OH-ND2 3.42Å; Y1261-N1327 VanDerWaalsContact OH-ND2 3.16Å; N1327-L1355 PolarHBondContact N-O 3.02Å
1328A50.3Low51.9Low19 Ų1981.2 Ų81.216%0.15745%0.447CS..  trans-72.2135.2168.800000111.1L1355A1328-L1355 HydrophobicContact CB-CD2 3.85Å; A1328-L1355 PolarHBondContact N-O 3.26Å; A1328-L1355 VanDerWaalsContact N-O 3.15Å
1329V43.3Very low49.3Very low143 Ų14383.2 Ų83.287%0.86747%0.466SS*.  trans-75.8143.1-177.6179.10000111.6
1330Q31.3Very low46.6Very low148 Ų14890.9 Ų90.969%0.69250%0.502SS*.  trans-109.1140.2172.4-158.4175.928.200109.7L1355Q1330-L1355 HydrophobicContact CB-CD1 4.39Å; Q1330-L1355 HydrophobicContact CG-CD1 4.34Å
1331S26.8Very low43.7Very low112 Ų11296.1 Ų96.178%0.78354%0.54SS*.  trans-107.5102.1-171.9430000113.3
1332T24.2Very low41Very low117 Ų117106.7 Ų106.772%0.71858%0.58SS**  trans176.9164.5172.714.50000109.9
1333Q23.1Very low38.3Very low171 Ų171112.8 Ų112.880%0.79962%0.62SS**  -162.7143-60.6-120.6173.8-17.400112.2
1334M20.8Very low35.6Very low169 Ų169119.9 Ų119.983%0.83366%0.656SS**  trans60.8149.8151.8-87-69.6-177.700124.6
1335T22.8Very low32.8Very low121 Ų121125.9 Ų125.974%0.74269%0.693SS**  trans93.8115.9149.741.80000126.2
1336S27.6Very low30.3Very low104 Ų104131 Ų13173%0.72772%0.722SS**  trans70.8107.3133.764.30000125.9
1337N22.3Very low27.9Very low156 Ų156136.5 Ų136.583%0.83476%0.756SS**  34.4127.5127.4-54.60.7000123.2
1338I23.9Very low26.4Very low175 Ų175140 Ų14090%0.89778%0.775SS**  trans-169.9160.5131.9-104160000111.4
1339T21.5Very low25.4Very low124 Ų124149.2 Ų149.276%0.76181%0.811SS**  trans-102.8153.4-170.945.40000116
1340M20.4Very low25Very low186 Ų186148 Ų14892%0.91681%0.81SS**  trans19106.2151.2-75.9-72.5-141.400119.9
1341S19.3Very low25.2Very low120 Ų120146.1 Ų146.184%0.83981%0.812SS**  trans-164171.6132.753.70000111.4
1342R22Very low25.7Very low225 Ų225146.9 Ų146.985%0.84981%0.813SS**  trans-68.8157-170-78.5178.4172.1157.2-3.1113.8I1344R1342-I1344 PolarHBondContact O-N 2.83Å; R1342-I1344 VanDerWaalsContact O-N 3.09Å
1343P25.4Very low26.7Very low131 Ų131149 Ų14985%0.85182%0.819SS**  trans-59.3113.8161.826.6-34000110.5
1344I24.2Very low28.2Very low149 Ų149143.8 Ų143.876%0.76480%0.797SS**  trans-74142.7164.6-64.4169.5000108.1R1342 N1346R1342-I1344 PolarHBondContact O-N 2.83Å; R1342-I1344 VanDerWaalsContact O-N 3.09Å; I1344-N1346 PolarHBondContact O-N 2.92Å
1345T22.6Very low29.9Very low125 Ų125138.6 Ų138.677%0.76777%0.772SS**SBendtrans-66.8111.6172.1480000111.2
1346N25.2Very low32.1Very low159 Ų159134 Ų13485%0.8574%0.742SS**  trans-168.7172158.1-99.7-27.2000112.6I1344I1344-N1346 PolarHBondContact O-N 2.92Å
1347T26.2Very low34.3Very low121 Ų121133.9 Ų133.974%0.74273%0.729SS**  trans-125.2138.6-162.743.40000114.4
1348N31.4Very low37Very low166 Ų166128.6 Ų128.689%0.88870%0.7SS**  trans166.9178.2147.5-83.8-31.7000112.6
1349K28.6Very low39.6Very low211 Ų211122.8 Ų122.892%0.91767%0.669SS**  trans-142.6149.8-161.6-62.8178.9179175.30117.8
1350S35.6Very low42.2Very low119 Ų119121.9 Ų121.983%0.83265%0.652SS**  trans-167.1-171.9175.661.50000111.3
1351S35.6Very low44.9Very low107 Ų107113.6 Ų113.675%0.74861%0.611SS**  -166.7146.5-53.256.60000111.4
1352T36.6Very low47.1Very low129 Ų129112.6 Ų112.679%0.79160%0.596SS**  trans-150.5163.6-177.352.80000116.8
1353N45.6Very low49.2Very low160 Ų160102.5 Ų102.586%0.85656%0.561SS**  trans-129.8160.6-177.6-76.1-22.1000114
1354I54.2Low51.4Low63 Ų6396.7 Ų96.732%0.32352%0.522SS..  trans-144.5157.3-173.8-63.3101.6000112.7I1286I1286-I1354 HydrophobicContact CG2-CG2 4.33Å
1355L57Low53.3Low60 Ų6098.5 Ų98.531%0.31453%0.525SS..  trans-143144.3-178.2-157.6151000114.1N1327 A1328 Q1330N1327-L1355 PolarHBondContact N-O 3.02Å; A1328-L1355 HydrophobicContact CB-CD2 3.85Å; A1328-L1355 PolarHBondContact N-O 3.26Å; A1328-L1355 VanDerWaalsContact N-O 3.15Å; Q1330-L1355 HydrophobicContact CB-CD1 4.39Å; Q1330-L1355 HydrophobicContact CG-CD1 4.34Å
1356I69.5Low55.7Low24 Ų2495.6 Ų95.612%0.12351%0.507CS..EExtended strand (participates in β ladder)trans-143159.5-169.9-80.6173.5000114I1286 A1287 I1324 F1326I1286-I1356 HydrophobicContact CB-CD1 3.46Å; I1286-I1356 VanDerWaalsContact CB-CD1 3.46Å; I1286-I1356 HydrophobicContact CD1-CD1 3.65Å; I1286-I1356 HydrophobicContact CG1-CD1 4.19Å; I1286-I1356 HydrophobicContact CG2-CD1 3.42Å; I1286-I1356 VanDerWaalsContact CG2-CD1 3.42Å; I1286-I1356 HydrophobicContact CG2-CG1 4.44Å; A1287-I1356 HydrophobicContact CB-CG2 4.25Å; I1324-I1356 HydrophobicContact CG2-CG2 4.36Å; F1326-I1356 HydrophobicContact CD1-CD1 3.74Å; F1326-I1356 HydrophobicContact CD1-CG1 4.1Å; F1326-I1356 HydrophobicContact CE1-CD1 4.24Å
1357K74.2Confident58Low102 Ų10288.4 Ų88.444%0.44347%0.47SS..EExtended strand (participates in β ladder)trans-129.8158.5168.2-55.9-177.2-156.7131.40113.3I1324 E1325I1324-K1357 WeakPolarHBondContact CG2-O 3.45Å; E1325-K1357 PolarHBondContact N-O 3Å; E1325-K1357 PolarHBondContact O-N 3.04Å; E1325-K1357 IonicContact OE2-NZ 2.62Å; E1325-K1357 PolarHBondContact OE2-NZ 3.24Å
1358I77.8Confident60.4Low45 Ų4582.8 Ų82.823%0.23144%0.435CS..EExtended strand (participates in β ladder)trans-134.6135-178.7-57.6172000109.8L1232 A1287 L1289L1232-I1358 HydrophobicContact CD1-CD1 4.33Å; L1232-I1358 HydrophobicContact CD1-CG2 4.19Å; A1287-I1358 HydrophobicContact CB-CD1 3.95Å; A1287-I1358 HydrophobicContact CB-CG1 4.45Å; L1289-I1358 HydrophobicContact CD2-CB 4.44Å; L1289-I1358 HydrophobicContact CD2-CD1 3.89Å; L1289-I1358 HydrophobicContact CD2-CG1 4.22Å; L1289-I1358 HydrophobicContact CD2-CG2 3.38Å
1359H77.9Confident62.3Low52 Ų5276.5 Ų76.524%0.24140%0.401CS..EExtended strand (participates in β ladder)trans-127.2137.2174.1-61.5-96.3000110.8E1322 L1323E1322-H1359 WeakPolarHBondContact CA-O 3.31Å; L1323-H1359 PolarHBondContact N-O 3.06Å; L1323-H1359 PolarHBondContact O-N 2.8Å
1360R77.7Confident64.5Low106 Ų10668.8 Ų68.840%0.437%0.368SS..EExtended strand (participates in β ladder)trans-125.2132173.1174.8167.1160.9-178.4-16.4109.8E1322 D1362E1322-R1360 HydrophobicContact CG-CB 3.87Å; E1322-R1360 HydrophobicContact CG-CG 3.93Å; R1360-D1362 WeakPolarHBondContact CG-OD1 3.37Å; R1360-D1362 IonicContact CZ-OD1 2.65Å; R1360-D1362 IonicContact CZ-OD2 2.71Å; R1360-D1362 IonicContact NE-OD1 2.69Å; R1360-D1362 PolarHBondContact NE-OD1 2.92Å; R1360-D1362 IonicContact NE-OD2 3.74Å; R1360-D1362 PolarHBondContact NE-OD2 3.45Å; R1360-D1362 IonicContact NH2-OD1 3.41Å; R1360-D1362 IonicContact NH2-OD2 3.04Å; R1360-D1362 PolarHBondContact NH2-OD2 2.93Å
1361I76.8Confident66.4Low12 Ų1263.2 Ų63.26%0.06233%0.33CS..EExtended strand (participates in β ladder)trans-12984.9-162.2-52.5156.1000108.8W1320 V1321 L1323 A1363 L1395W1320-I1361 WeakPolarHBondContact CA-O 3.27Å; W1320-I1361 WeakPolarHBondContact CB-O 3.12Å; V1321-I1361 PolarHBondContact N-O 2.85Å; V1321-I1361 WeakPolarHBondContact O-CB 3.42Å; V1321-I1361 PolarHBondContact O-N 2.95Å; L1323-I1361 HydrophobicContact CB-CD1 4.42Å; I1361-A1363 HydrophobicContact CG2-CB 3.76Å; I1361-A1363 PolarHBondContact O-N 3.35Å; I1361-L1395 HydrophobicContact CD1-CB 3.9Å; I1361-L1395 HydrophobicContact CD1-CD2 4.42Å; I1361-L1395 WeakPolarHBondContact CD1-O 3.45Å; I1361-L1395 WeakPolarHBondContact CG1-O 3.35Å; I1361-L1395 HydrophobicContact CG2-CD2 3.9Å
1362D64.7Low68.1Low98 Ų9863.1 Ų63.152%0.52431%0.314SS..  trans-80.263.7-176.9-69-3.1000110.9W1320 R1360W1320-D1362 HydrophobicContact CB-CB 4.4Å; W1320-D1362 VanDerWaalsContact CB-OD1 3.25Å; W1320-D1362 WeakPolarHBondContact CB-OD1 3.41Å; W1320-D1362 VanDerWaalsContact CD1-OD1 3.24Å; W1320-D1362 VanDerWaalsContact CG-OD1 3.28Å; R1360-D1362 WeakPolarHBondContact CG-OD1 3.37Å; R1360-D1362 IonicContact CZ-OD1 2.65Å; R1360-D1362 IonicContact CZ-OD2 2.71Å; R1360-D1362 IonicContact NE-OD1 2.69Å; R1360-D1362 PolarHBondContact NE-OD1 2.92Å; R1360-D1362 IonicContact NE-OD2 3.74Å; R1360-D1362 PolarHBondContact NE-OD2 3.45Å; R1360-D1362 IonicContact NH2-OD1 3.41Å; R1360-D1362 IonicContact NH2-OD2 3.04Å; R1360-D1362 PolarHBondContact NH2-OD2 2.93Å
1363A67.3Low69.6Low14 Ų1460 Ų6012%0.11629%0.29CS..  trans-113.9-29.3-162.100000116.9I1361 P1404 L1407I1361-A1363 HydrophobicContact CG2-CB 3.76Å; I1361-A1363 PolarHBondContact O-N 3.35Å; A1363-P1404 HydrophobicContact CB-CB 3.57Å; A1363-P1404 HydrophobicContact CB-CG 4.44Å; A1363-P1404 VanDerWaalsContact O-CB 3.29Å; A1363-P1404 WeakPolarHBondContact O-CB 3.32Å; A1363-L1407 HydrophobicContact CB-CD1 3.61Å
1364F70.9Confident70.3Confident9 Ų955.9 Ų55.94%0.03927%0.267CS..  trans-81.7157.1-174.6-53-109.9000109.7T1319 V1321 I1368 V1381 I1388 L1395 L1407T1319-F1364 WeakPolarHBondContact CB-O 3.21Å; T1319-F1364 WeakPolarHBondContact O-CA 3.31Å; T1319-F1364 WeakPolarHBondContact O-CB 3.46Å; T1319-F1364 PolarHBondContact O-N 3.31Å; T1319-F1364 PolarHBondContact OG1-O 3.01Å; V1321-F1364 HydrophobicContact CB-CE2 4.27Å; V1321-F1364 HydrophobicContact CG2-CD2 4.34Å; V1321-F1364 HydrophobicContact CG2-CE2 3.54Å; V1321-F1364 HydrophobicContact CG2-CZ 3.97Å; F1364-I1368 HydrophobicContact CD1-CD1 4.32Å; F1364-I1368 HydrophobicContact CD1-CG1 4.42Å; F1364-I1368 HydrophobicContact CD2-CD1 4.15Å; F1364-I1368 HydrophobicContact CE2-CD1 4.38Å; F1364-I1368 HydrophobicContact CG-CD1 4.16Å; F1364-V1381 HydrophobicContact CD1-CG1 4.42Å; F1364-V1381 HydrophobicContact CE1-CB 4.21Å; F1364-V1381 HydrophobicContact CE1-CG1 3.82Å; F1364-V1381 HydrophobicContact CE1-CG2 4.27Å; F1364-V1381 HydrophobicContact CZ-CG1 4.42Å; F1364-V1381 HydrophobicContact CZ-CG2 4.39Å; F1364-I1388 HydrophobicContact CD1-CD1 3.99Å; F1364-I1388 HydrophobicContact CE1-CD1 4.24Å; F1364-L1395 HydrophobicContact CZ-CD2 4.44Å; F1364-L1407 HydrophobicContact CB-CD1 4.32Å; F1364-L1407 HydrophobicContact CD1-CD1 3.66Å; F1364-L1407 HydrophobicContact CD1-CD2 4.31Å; F1364-L1407 HydrophobicContact CD1-CG 4.49Å; F1364-L1407 HydrophobicContact CD2-CD1 3.83Å; F1364-L1407 HydrophobicContact CE1-CD1 3.79Å; F1364-L1407 HydrophobicContact CE1-CD2 3.68Å; F1364-L1407 HydrophobicContact CE1-CG 4.33Å; F1364-L1407 HydrophobicContact CE2-CD1 3.94Å; F1364-L1407 HydrophobicContact CG-CD1 3.66Å; F1364-L1407 HydrophobicContact CZ-CD1 3.92Å; F1364-L1407 HydrophobicContact CZ-CD2 3.83Å
1365K64.1Low70.3Confident187 Ų18761.5 Ų61.581%0.81328%0.284SS*.SBendtrans-108.9-7.8175.5-64.5-176.1-178.7179.30113.8
1366T72.3Confident70.1Confident63 Ų6362 Ų6239%0.38730%0.303SS..SBendtrans-130.5158-174.350.90000111.2T1319 I1368T1319-T1366 VanDerWaalsContact CG2-O 3.32Å; T1319-T1366 WeakPolarHBondContact CG2-O 3.23Å; T1366-I1368 PolarHBondContact O-N 2.99Å
1367A74.4Confident69.7Low9 Ų961.6 Ų61.67%0.07431%0.305CS..  trans-67.7126.8-17800000112S1315 I1316 T1383 N1384S1315-A1367 WeakPolarHBondContact O-CA 3.15Å; S1315-A1367 WeakPolarHBondContact O-CB 3.45Å; I1316-A1367 HydrophobicContact CG1-CB 4.46Å; A1367-T1383 CarbonylContact O-C 3.46Å; A1367-T1383 WeakPolarHBondContact O-CA 3.41Å; A1367-T1383 WeakPolarHBondContact O-CB 3.47Å; A1367-N1384 PolarHBondContact O-N 3.14Å
1368I76.1Confident69.4Low2 Ų258.3 Ų58.31%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-81.8115.6-177.5-61.8168.3000110.3F1311 K1313 S1314 V1321 F1364 T1366 V1381 V1382 T1383F1311-I1368 HydrophobicContact CB-CD1 4.43Å; F1311-I1368 HydrophobicContact CD2-CB 4.22Å; F1311-I1368 HydrophobicContact CD2-CG2 3.43Å; F1311-I1368 VanDerWaalsContact CD2-CG2 3.43Å; F1311-I1368 HydrophobicContact CE2-CG2 3.75Å; F1311-I1368 HydrophobicContact CG-CG2 4.31Å; K1313-I1368 CarbonylContact C-O 3.57Å; K1313-I1368 VanDerWaalsContact CA-O 3.22Å; K1313-I1368 WeakPolarHBondContact CA-O 3.47Å; S1314-I1368 PolarHBondContact N-O 3.09Å; V1321-I1368 HydrophobicContact CG2-CD1 3.96Å; F1364-I1368 HydrophobicContact CD1-CD1 4.32Å; F1364-I1368 HydrophobicContact CD1-CG1 4.42Å; F1364-I1368 HydrophobicContact CD2-CD1 4.15Å; F1364-I1368 HydrophobicContact CE2-CD1 4.38Å; F1364-I1368 HydrophobicContact CG-CD1 4.16Å; T1366-I1368 PolarHBondContact O-N 2.99Å; I1368-V1381 HydrophobicContact CB-CG1 4.28Å; I1368-V1381 HydrophobicContact CD1-CG1 4.17Å; I1368-V1381 HydrophobicContact CG1-CG1 3.9Å; I1368-V1381 HydrophobicContact CG2-CG1 3.51Å; I1368-V1382 CarbonylContact C-O 3.59Å; I1368-T1383 HydrophobicContact CG1-CG2 4.26Å
1369D71.5Confident69.1Low34 Ų3456.2 Ų56.218%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-84.7-34.9178.2-75-14.7000113.2K1313 S1314 V1382 N1384K1313-D1369 WeakPolarHBondContact CD-O 3.33Å; K1313-D1369 WeakPolarHBondContact CE-O 3.25Å; K1313-D1369 VanDerWaalsContact CG-O 3.25Å; K1313-D1369 WeakPolarHBondContact CG-O 3.42Å; K1313-D1369 PolarHBondContact NZ-O 2.76Å; S1314-D1369 WeakPolarHBondContact CB-OD1 3.07Å; S1314-D1369 PolarHBondContact OG-OD1 2.97Å; D1369-V1382 HydrophobicContact CB-CB 4.49Å; D1369-V1382 HydrophobicContact CB-CG1 4.19Å; D1369-V1382 PolarHBondContact N-O 3.21Å; D1369-N1384 WeakPolarHBondContact OD2-CA 3.38Å; D1369-N1384 PolarHBondContact OD2-N 2.97Å
1370E75.5Confident68.9Low49 Ų4956.2 Ų56.223%0.22929%0.285CS..EExtended strand (participates in β ladder)trans-163.9157.2177.1-143.2144-99.800112.9K1313 Y1372 V1381 V1382K1313-E1370 IonicContact NZ-OE1 2.72Å; K1313-E1370 PolarHBondContact NZ-OE1 2.86Å; E1370-Y1372 HydrophobicContact CB-CE2 4.05Å; E1370-Y1372 HydrophobicContact CG-CD2 4.4Å; E1370-Y1372 HydrophobicContact CG-CE2 3.6Å; E1370-Y1372 WeakPolarHBondContact OE2-CE2 3.37Å; E1370-Y1372 PolarHBondContact OE2-OH 3.45Å; E1370-V1381 CarbonylContact O-C 3.55Å; E1370-V1381 WeakPolarHBondContact O-CA 3.33Å; E1370-V1382 HydrophobicContact CB-CB 4.24Å; E1370-V1382 HydrophobicContact CB-CG2 4.39Å; E1370-V1382 PolarHBondContact N-O 3.09Å; E1370-V1382 PolarHBondContact O-N 3.13Å
1371A75.4Confident68.7Low3 Ų351.2 Ų51.23%0.02527%0.267CS..EExtended strand (participates in β ladder)trans-141.2138.7175.100000113R1298 F1311 L1379 I1380 V1381R1298-A1371 WeakPolarHBondContact CD-O 3.2Å; R1298-A1371 PolarHBondContact NE-O 3.39Å; R1298-A1371 VanDerWaalsContact NE-O 3.11Å; R1298-A1371 PolarHBondContact NH1-O 3.37Å; F1311-A1371 HydrophobicContact CD1-CB 4.03Å; F1311-A1371 HydrophobicContact CE1-CB 3.58Å; F1311-A1371 HydrophobicContact CE2-CB 4.28Å; F1311-A1371 HydrophobicContact CZ-CB 3.71Å; F1311-A1371 VanDerWaalsContact CZ-N 3.3Å; A1371-L1379 HydrophobicContact CB-CD1 4.07Å; A1371-L1379 HydrophobicContact CB-CG 4.36Å; A1371-I1380 CarbonylContact C-O 3.36Å; A1371-I1380 WeakPolarHBondContact CA-O 3.32Å; A1371-I1380 WeakPolarHBondContact CB-O 3.34Å; A1371-V1381 HydrophobicContact CB-CG2 4.29Å
1372Y71.6Confident68.4Low104 Ų10452.5 Ų52.541%0.40828%0.275SS..EExtended strand (participates in β ladder)trans-131.5124.3-175.1-70.6-98.1000110.4E1370 L1379 I1380E1370-Y1372 HydrophobicContact CB-CE2 4.05Å; E1370-Y1372 HydrophobicContact CG-CD2 4.4Å; E1370-Y1372 HydrophobicContact CG-CE2 3.6Å; E1370-Y1372 WeakPolarHBondContact OE2-CE2 3.37Å; E1370-Y1372 PolarHBondContact OE2-OH 3.45Å; Y1372-L1379 WeakPolarHBondContact O-CA 3.33Å; Y1372-I1380 HydrophobicContact CD2-CG2 4.35Å; Y1372-I1380 PolarHBondContact N-O 2.55Å; Y1372-I1380 PolarHBondContact O-N 3.23Å
1373F66.1Low68.5Low65 Ų6547.9 Ų47.929%0.28525%0.251SS..EExtended strand (participates in β ladder)trans-62.6134.6163.6-69.6-81.9000109.6R1298 I1309 I1392R1298-F1373 HydrophobicContact CB-CD2 4.3Å; R1298-F1373 HydrophobicContact CB-CE2 3.92Å; I1309-F1373 HydrophobicContact CB-CZ 4.25Å; I1309-F1373 HydrophobicContact CD1-CD1 4.21Å; I1309-F1373 HydrophobicContact CD1-CE1 3.41Å; I1309-F1373 VanDerWaalsContact CD1-CE1 3.41Å; I1309-F1373 HydrophobicContact CD1-CE2 4.21Å; I1309-F1373 HydrophobicContact CD1-CZ 3.41Å; I1309-F1373 VanDerWaalsContact CD1-CZ 3.41Å; I1309-F1373 HydrophobicContact CG1-CE1 4.08Å; I1309-F1373 HydrophobicContact CG1-CE2 4.49Å; I1309-F1373 HydrophobicContact CG1-CZ 3.66Å; F1373-I1392 HydrophobicContact CD1-CD1 4.28Å; F1373-I1392 HydrophobicContact CE1-CD1 3.95Å
1374I62Low68.1Low73 Ų7351.7 Ų51.737%0.37427%0.269SS..EExtended strand (participates in β ladder)trans-117.2154.7173.9-55.8171.1000107.6G1376 S1378 I1380 L1389I1374-G1376 PolarHBondContact O-N 3.15Å; I1374-S1378 PolarHBondContact N-O 2.95Å; I1374-I1380 HydrophobicContact CD1-CB 4.02Å; I1374-I1380 HydrophobicContact CD1-CD1 3.75Å; I1374-I1380 HydrophobicContact CD1-CG1 3.68Å; I1374-L1389 HydrophobicContact CD1-CD1 3.71Å
1375R54.1Low67.1Low181 Ų18152.4 Ų52.468%0.68328%0.278SS*.THydrogen-bonded Turntrans-53.4130.4172.1-67.4-176.3175.5-174.5-1.2110.1T1927R1375-T1927 PolarHBondContact NH1-OG1 2.96Å
1376G52.7Low66.8Low69 Ų6944.5 Ų44.571%0.71125%0.247SC*.THydrogen-bonded Turntrans91.553.8179.800000114.7I1374 S1378I1374-G1376 PolarHBondContact O-N 3.15Å; G1376-S1378 WeakPolarHBondContact O-CB 3.36Å; G1376-S1378 PolarHBondContact O-N 2.88Å; G1376-S1378 PolarHBondContact O-OG 3.36Å
1377G61.1Low66.5Low17 Ų1743.6 Ų43.618%0.17524%0.239CC..THydrogen-bonded Turntrans57.120169.300000116.5D1302 I1392D1302-G1377 VanDerWaalsContact OD2-CA 3.23Å; D1302-G1377 WeakPolarHBondContact OD2-CA 3.47Å; G1377-I1392 PolarHBondContact O-N 2.89Å
1378S68.4Low66.3Low32 Ų3243.5 Ų43.522%0.22424%0.237CC..EExtended strand (participates in β ladder)trans-117150.5-165.9-64.60000112.1I1374 G1376 T1390I1374-S1378 PolarHBondContact N-O 2.95Å; G1376-S1378 WeakPolarHBondContact O-CB 3.36Å; G1376-S1378 PolarHBondContact O-N 2.88Å; G1376-S1378 PolarHBondContact O-OG 3.36Å; S1378-T1390 CarbonylContact C-O 3.59Å; S1378-T1390 WeakPolarHBondContact CA-O 3.39Å
1379L70.7Confident65.9Low2 Ų247.2 Ų47.21%0.0126%0.257CS..EExtended strand (participates in β ladder)trans-130.3115-172.5-171.971.5000109I1309 A1371 Y1372 V1381 L1389 T1390 L1395I1309-L1379 HydrophobicContact CD1-CD1 3.7Å; I1309-L1379 HydrophobicContact CD1-CD2 3.99Å; I1309-L1379 HydrophobicContact CD1-CG 4.44Å; A1371-L1379 HydrophobicContact CB-CD1 4.07Å; A1371-L1379 HydrophobicContact CB-CG 4.36Å; Y1372-L1379 WeakPolarHBondContact O-CA 3.33Å; L1379-V1381 HydrophobicContact CB-CG2 4.49Å; L1379-V1381 HydrophobicContact CD2-CG2 3.48Å; L1379-V1381 VanDerWaalsContact CD2-CG2 3.48Å; L1379-V1381 HydrophobicContact CG-CG2 3.66Å; L1379-L1389 WeakPolarHBondContact O-CA 3.29Å; L1379-T1390 HydrophobicContact CB-CG2 4.41Å; L1379-T1390 PolarHBondContact N-O 2.99Å; L1379-T1390 PolarHBondContact O-N 2.81Å; L1379-L1395 HydrophobicContact CD2-CD1 4.31Å
1380I73.5Confident65.8Low51 Ų5146.3 Ų46.326%0.26225%0.253SS..EExtended strand (participates in β ladder)trans-70.4134156.9-97.3169000107.1A1371 Y1372 I1374 V1382 I1387 I1388 L1389A1371-I1380 CarbonylContact C-O 3.36Å; A1371-I1380 WeakPolarHBondContact CA-O 3.32Å; A1371-I1380 WeakPolarHBondContact CB-O 3.34Å; Y1372-I1380 HydrophobicContact CD2-CG2 4.35Å; Y1372-I1380 PolarHBondContact N-O 2.55Å; Y1372-I1380 PolarHBondContact O-N 3.23Å; I1374-I1380 HydrophobicContact CD1-CB 4.02Å; I1374-I1380 HydrophobicContact CD1-CD1 3.75Å; I1374-I1380 HydrophobicContact CD1-CG1 3.68Å; I1380-V1382 HydrophobicContact CG2-CG2 3.88Å; I1380-I1387 HydrophobicContact CD1-CG2 4.45Å; I1380-I1387 HydrophobicContact CG1-CG2 4.27Å; I1380-I1387 HydrophobicContact CG2-CG2 4.31Å; I1380-I1388 CarbonylContact C-O 3.39Å; I1380-I1388 WeakPolarHBondContact CA-O 3.4Å; I1380-L1389 HydrophobicContact CG1-CD1 4.09Å
1381V73.9Confident65.8Low1 Ų145.9 Ų45.91%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-126.994.3171-174.30000107.3F1364 I1368 E1370 A1371 L1379 T1383 I1388 T1390F1364-V1381 HydrophobicContact CD1-CG1 4.42Å; F1364-V1381 HydrophobicContact CE1-CB 4.21Å; F1364-V1381 HydrophobicContact CE1-CG1 3.82Å; F1364-V1381 HydrophobicContact CE1-CG2 4.27Å; F1364-V1381 HydrophobicContact CZ-CG1 4.42Å; F1364-V1381 HydrophobicContact CZ-CG2 4.39Å; I1368-V1381 HydrophobicContact CB-CG1 4.28Å; I1368-V1381 HydrophobicContact CD1-CG1 4.17Å; I1368-V1381 HydrophobicContact CG1-CG1 3.9Å; I1368-V1381 HydrophobicContact CG2-CG1 3.51Å; E1370-V1381 CarbonylContact O-C 3.55Å; E1370-V1381 WeakPolarHBondContact O-CA 3.33Å; A1371-V1381 HydrophobicContact CB-CG2 4.29Å; L1379-V1381 HydrophobicContact CB-CG2 4.49Å; L1379-V1381 HydrophobicContact CD2-CG2 3.48Å; L1379-V1381 VanDerWaalsContact CD2-CG2 3.48Å; L1379-V1381 HydrophobicContact CG-CG2 3.66Å; V1381-T1383 HydrophobicContact CG1-CG2 4.31Å; V1381-I1388 HydrophobicContact CB-CB 4.29Å; V1381-I1388 PolarHBondContact N-O 3.46Å; V1381-I1388 WeakPolarHBondContact O-CB 3.14Å; V1381-I1388 PolarHBondContact O-N 2.76Å; V1381-T1390 HydrophobicContact CG2-CG2 4.48Å
1382V69.9Low65.5Low40 Ų4046 Ų4624%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-67133.5167.3-1690000107.9I1368 D1369 E1370 I1380 I1387I1368-V1382 CarbonylContact C-O 3.59Å; D1369-V1382 HydrophobicContact CB-CB 4.49Å; D1369-V1382 HydrophobicContact CB-CG1 4.19Å; D1369-V1382 PolarHBondContact N-O 3.21Å; E1370-V1382 HydrophobicContact CB-CB 4.24Å; E1370-V1382 HydrophobicContact CB-CG2 4.39Å; E1370-V1382 PolarHBondContact N-O 3.09Å; E1370-V1382 PolarHBondContact O-N 3.13Å; I1380-V1382 HydrophobicContact CG2-CG2 3.88Å; V1382-I1387 HydrophobicContact CG1-CG1 4.35Å; V1382-I1387 HydrophobicContact CG2-CG1 4.42Å
1383T67.1Low65.4Low1 Ų146.3 Ų46.31%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-123.9162.6173.465.60000108.7A1367 I1368 V1381 G1385 S1386 I1388A1367-T1383 CarbonylContact O-C 3.46Å; A1367-T1383 WeakPolarHBondContact O-CA 3.41Å; A1367-T1383 WeakPolarHBondContact O-CB 3.47Å; I1368-T1383 HydrophobicContact CG1-CG2 4.26Å; V1381-T1383 HydrophobicContact CG1-CG2 4.31Å; T1383-G1385 PolarHBondContact O-N 2.82Å; T1383-S1386 WeakPolarHBondContact CA-O 3.33Å; T1383-S1386 PolarHBondContact N-O 3.44Å; T1383-S1386 PolarHBondContact O-N 3.01Å; T1383-S1386 PolarHBondContact OG1-O 3.14Å; T1383-S1386 PolarHBondContact OG1-OG 3.21Å; T1383-I1388 HydrophobicContact CG2-CD1 3.7Å; T1383-I1388 HydrophobicContact CG2-CG1 4.43Å
1384N58.8Low65.3Low94 Ų9446.9 Ų46.950%0.50327%0.272SS..THydrogen-bonded Turntrans-62.396-178.4-169.3-27.2000111.2A1367 D1369A1367-N1384 PolarHBondContact O-N 3.14Å; D1369-N1384 WeakPolarHBondContact OD2-CA 3.38Å; D1369-N1384 PolarHBondContact OD2-N 2.97Å
1385G49.2Very low65.4Low23 Ų2343.8 Ų43.824%0.23726%0.257CS..THydrogen-bonded Turntrans90.98.1-175.600000117.7T1383 K1412 K1413T1383-G1385 PolarHBondContact O-N 2.82Å; G1385-K1412 CarbonylContact O-C 3.56Å; G1385-K1412 VanDerWaalsContact O-C 3.27Å; G1385-K1412 VanDerWaalsContact O-CA 3.31Å; G1385-K1412 WeakPolarHBondContact O-CA 3.45Å; G1385-K1413 PolarHBondContact O-N 2.88Å
1386S59.6Low65.8Low21 Ų2136.9 Ų36.915%0.14723%0.233CC..EExtended strand (participates in β ladder)trans-156142.616670.70000116.6T1383 P1409 G1411T1383-S1386 WeakPolarHBondContact CA-O 3.33Å; T1383-S1386 PolarHBondContact N-O 3.44Å; T1383-S1386 PolarHBondContact O-N 3.01Å; T1383-S1386 PolarHBondContact OG1-O 3.14Å; T1383-S1386 PolarHBondContact OG1-OG 3.21Å; S1386-P1409 VanDerWaalsContact CB-CB 3.49Å; S1386-P1409 WeakPolarHBondContact OG-CB 3.12Å; S1386-G1411 WeakPolarHBondContact CA-O 3.07Å; S1386-G1411 WeakPolarHBondContact CB-O 3.36Å
1387I65.8Low66.1Low45 Ų4540.3 Ų40.323%0.23123%0.234CC..EExtended strand (participates in β ladder)trans-93.3120176.1-55.6171.6000109I1380 V1382 I1410I1380-I1387 HydrophobicContact CD1-CG2 4.45Å; I1380-I1387 HydrophobicContact CG1-CG2 4.27Å; I1380-I1387 HydrophobicContact CG2-CG2 4.31Å; V1382-I1387 HydrophobicContact CG1-CG1 4.35Å; V1382-I1387 HydrophobicContact CG2-CG1 4.42Å; I1387-I1410 WeakPolarHBondContact O-CB 3.29Å; I1387-I1410 PolarHBondContact O-N 2.82Å
1388I68.4Low65.5Low6 Ų641.9 Ų41.93%0.03125%0.25CS..EExtended strand (participates in β ladder)trans-102.9149.6174.8-57.8168.6000109F1364 I1380 V1381 T1383 L1407 P1409F1364-I1388 HydrophobicContact CD1-CD1 3.99Å; F1364-I1388 HydrophobicContact CE1-CD1 4.24Å; I1380-I1388 CarbonylContact C-O 3.39Å; I1380-I1388 WeakPolarHBondContact CA-O 3.4Å; V1381-I1388 HydrophobicContact CB-CB 4.29Å; V1381-I1388 PolarHBondContact N-O 3.46Å; V1381-I1388 WeakPolarHBondContact O-CB 3.14Å; V1381-I1388 PolarHBondContact O-N 2.76Å; T1383-I1388 HydrophobicContact CG2-CD1 3.7Å; T1383-I1388 HydrophobicContact CG2-CG1 4.43Å; I1388-L1407 HydrophobicContact CG2-CD2 4.27Å; I1388-P1409 HydrophobicContact CG1-CB 4.2Å
1389L69.6Low63.9Low81 Ų8144.3 Ų44.342%0.42427%0.267SS..EExtended strand (participates in β ladder)trans-125.8131167.7178.367.9000108.7I1374 L1379 I1380 I1410I1374-L1389 HydrophobicContact CD1-CD1 3.71Å; L1379-L1389 WeakPolarHBondContact O-CA 3.29Å; I1380-L1389 HydrophobicContact CG1-CD1 4.09Å; L1389-I1410 HydrophobicContact CB-CD1 3.55Å; L1389-I1410 HydrophobicContact CD2-CD1 4.42Å
1390T69.6Low62.8Low15 Ų1554.2 Ų54.29%0.09231%0.31CS..EExtended strand (participates in β ladder)trans-150.9168.2-178.5-168.20000111.8S1378 L1379 V1381 L1395 L1407S1378-T1390 CarbonylContact C-O 3.59Å; S1378-T1390 WeakPolarHBondContact CA-O 3.39Å; L1379-T1390 HydrophobicContact CB-CG2 4.41Å; L1379-T1390 PolarHBondContact N-O 2.99Å; L1379-T1390 PolarHBondContact O-N 2.81Å; V1381-T1390 HydrophobicContact CG2-CG2 4.48Å; T1390-L1395 HydrophobicContact CG2-CD1 3.75Å; T1390-L1395 HydrophobicContact CG2-CG 4.17Å; T1390-L1407 HydrophobicContact CG2-CD2 4.18Å
1391S74.4Confident61.4Low40 Ų4059.2 Ų59.228%0.2834%0.338SS..EExtended strand (participates in β ladder)trans-114.2149.2-177.975.80000113.2N1393 V1394 L1395S1391-N1393 VanDerWaalsContact C-N 3.34Å; S1391-N1393 PolarHBondContact O-N 2.77Å; S1391-V1394 PolarHBondContact O-N 3.21Å; S1391-V1394 WeakPolarHBondContact OG-CG2 3.2Å; S1391-L1395 PolarHBondContact O-N 3.29Å
1392I69.5Low59.6Low4 Ų467.7 Ų67.72%0.02138%0.377CS..Hα-helixtrans-60.9-40.1-174.4-70.1166.4000112F1307 L1323 F1373 G1377 L1395 I1396F1307-I1392 HydrophobicContact CD2-CD1 4.49Å; F1307-I1392 HydrophobicContact CE1-CG2 4.29Å; F1307-I1392 HydrophobicContact CE2-CG2 4.49Å; F1307-I1392 HydrophobicContact CZ-CG2 4.18Å; L1323-I1392 HydrophobicContact CD1-CG2 3.87Å; F1373-I1392 HydrophobicContact CD1-CD1 4.28Å; F1373-I1392 HydrophobicContact CE1-CD1 3.95Å; G1377-I1392 PolarHBondContact O-N 2.89Å; I1392-L1395 WeakPolarHBondContact O-CB 3.11Å; I1392-L1395 PolarHBondContact O-N 3.41Å; I1392-I1396 HydrophobicContact CG2-CD1 3.61Å; I1392-I1396 HydrophobicContact CG2-CG1 4.44Å; I1392-I1396 VanDerWaalsContact O-CG1 3.28Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.08Å; I1392-I1396 PolarHBondContact O-N 2.83Å
1393N68.9Low57.9Low111 Ų11168.8 Ų68.859%0.59440%0.397SS*.Hα-helixtrans-70.9-37.6-177.4-67-12.2000112.9S1391 L1395 I1396 L1397S1391-N1393 VanDerWaalsContact C-N 3.34Å; S1391-N1393 PolarHBondContact O-N 2.77Å; N1393-L1395 VanDerWaalsContact C-N 3.31Å; N1393-I1396 PolarHBondContact O-N 2.84Å; N1393-L1397 WeakPolarHBondContact O-CB 3.29Å; N1393-L1397 WeakPolarHBondContact O-CG 3.14Å; N1393-L1397 PolarHBondContact O-N 3.17Å
1394V63.8Low56.7Low77 Ų7772.1 Ų72.147%0.46742%0.418SS..Hα-helixtrans-65.4-39175.6171.40000110.5S1391 A1406S1391-V1394 PolarHBondContact O-N 3.21Å; S1391-V1394 WeakPolarHBondContact OG-CG2 3.2Å; V1394-A1406 HydrophobicContact CG1-CB 3.93Å
1395L64.8Low55.8Low8 Ų876.3 Ų76.34%0.04244%0.437CS..Hα-helixtrans-62.4-42.3173.3-83.6175.6000112.8I1361 F1364 L1379 T1390 S1391 I1392 N1393I1361-L1395 HydrophobicContact CD1-CB 3.9Å; I1361-L1395 HydrophobicContact CD1-CD2 4.42Å; I1361-L1395 WeakPolarHBondContact CD1-O 3.45Å; I1361-L1395 WeakPolarHBondContact CG1-O 3.35Å; I1361-L1395 HydrophobicContact CG2-CD2 3.9Å; F1364-L1395 HydrophobicContact CZ-CD2 4.44Å; L1379-L1395 HydrophobicContact CD2-CD1 4.31Å; T1390-L1395 HydrophobicContact CG2-CD1 3.75Å; T1390-L1395 HydrophobicContact CG2-CG 4.17Å; S1391-L1395 PolarHBondContact O-N 3.29Å; I1392-L1395 WeakPolarHBondContact O-CB 3.11Å; I1392-L1395 PolarHBondContact O-N 3.41Å; N1393-L1395 VanDerWaalsContact C-N 3.31Å
1396I62.8Low56Low37 Ų3778 Ų7819%0.1945%0.449CS..Hα-helixtrans-72.8-40.5-178.2-70.6165.5000113F1307 L1323 I1392 N1393 G1398F1307-I1396 HydrophobicContact CE1-CD1 4.43Å; L1323-I1396 HydrophobicContact CD1-CG1 4.46Å; L1323-I1396 HydrophobicContact CD2-CD1 3.76Å; L1323-I1396 HydrophobicContact CD2-CG1 4.01Å; I1392-I1396 HydrophobicContact CG2-CD1 3.61Å; I1392-I1396 HydrophobicContact CG2-CG1 4.44Å; I1392-I1396 VanDerWaalsContact O-CG1 3.28Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.08Å; I1392-I1396 PolarHBondContact O-N 2.83Å; N1393-I1396 PolarHBondContact O-N 2.84Å; I1396-G1398 VanDerWaalsContact C-N 3.29Å; I1396-G1398 PolarHBondContact O-N 3.07Å
1397L59Low55.6Low141 Ų14178.6 Ų78.674%0.73845%0.45SS*.Hα-helixtrans-72.3-20.5-174.9-74.9167.8000113.6N1393 S1399N1393-L1397 WeakPolarHBondContact O-CB 3.29Å; N1393-L1397 WeakPolarHBondContact O-CG 3.14Å; N1393-L1397 PolarHBondContact O-N 3.17Å; L1397-S1399 PolarHBondContact O-N 3.28Å
1398G48.8Very low55.1Low50 Ų5082.4 Ų82.452%0.51547%0.47SS..  trans-69.464.3178.700000114I1396I1396-G1398 VanDerWaalsContact C-N 3.29Å; I1396-G1398 PolarHBondContact O-N 3.07Å
1399S33.8Very low54.2Low83 Ų8385.5 Ų85.558%0.5849%0.49SS*.  trans-118.4131.1-178.468.30000113.4L1397 N1401L1397-S1399 PolarHBondContact O-N 3.28Å; S1399-N1401 PolarHBondContact O-N 2.66Å
1400K48.4Very low53.6Low209 Ų20985.4 Ų85.491%0.90949%0.489SS*.SBendtrans66.9-42.9169.3-59.2-170.2176.4-175.10119.5
1401N42.9Very low52.9Low157 Ų15785.6 Ų85.684%0.8449%0.494SS*.SBendtrans-121.7-7.4-169.2-86.39000118.2S1399S1399-N1401 PolarHBondContact O-N 2.66Å
1402Q36.3Very low51.8Low178 Ų17892.2 Ų92.283%0.83252%0.518SS*.SBendtrans-133.8132173.3-71.2-174.1-1200110.9
1403G34.2Very low50.7Low64 Ų6499 Ų9966%0.6655%0.547SS*.  trans-86.5173.5-166.200000115.7M1405G1403-M1405 PolarHBondContact O-N 3.33Å
1404P42.2Very low50Low70 Ų7095.4 Ų95.446%0.45553%0.528SS..SBendtrans-81.573.8-167.434.6-38.6000113.6A1363A1363-P1404 HydrophobicContact CB-CB 3.57Å; A1363-P1404 HydrophobicContact CB-CG 4.44Å; A1363-P1404 VanDerWaalsContact O-CB 3.29Å; A1363-P1404 WeakPolarHBondContact O-CB 3.32Å
1405M41Very low49.4Very low183 Ų18394.8 Ų94.890%0.90153%0.527SS*.  trans-91.4-6.5170.3-117.9-179.1176.100113.9G1403 L1407G1403-M1405 PolarHBondContact O-N 3.33Å; M1405-L1407 PolarHBondContact O-N 2.81Å
1406A51.6Low48.9Very low59 Ų5997.7 Ų97.749%0.48855%0.545SS..  trans-88.511.2-17200000115.7V1394V1394-A1406 HydrophobicContact CG1-CB 3.93Å
1407L52.3Low48.7Very low32 Ų32100 Ų10017%0.16856%0.561CS.*  trans-113.283-175.9-67.9173.3000111A1363 F1364 I1388 T1390 M1405A1363-L1407 HydrophobicContact CB-CD1 3.61Å; F1364-L1407 HydrophobicContact CB-CD1 4.32Å; F1364-L1407 HydrophobicContact CD1-CD1 3.66Å; F1364-L1407 HydrophobicContact CD1-CD2 4.31Å; F1364-L1407 HydrophobicContact CD1-CG 4.49Å; F1364-L1407 HydrophobicContact CD2-CD1 3.83Å; F1364-L1407 HydrophobicContact CE1-CD1 3.79Å; F1364-L1407 HydrophobicContact CE1-CD2 3.68Å; F1364-L1407 HydrophobicContact CE1-CG 4.33Å; F1364-L1407 HydrophobicContact CE2-CD1 3.94Å; F1364-L1407 HydrophobicContact CG-CD1 3.66Å; F1364-L1407 HydrophobicContact CZ-CD1 3.92Å; F1364-L1407 HydrophobicContact CZ-CD2 3.83Å; I1388-L1407 HydrophobicContact CG2-CD2 4.27Å; T1390-L1407 HydrophobicContact CG2-CD2 4.18Å; M1405-L1407 PolarHBondContact O-N 2.81Å
1408I54.4Low48.7Very low126 Ų12697 Ų9765%0.64655%0.545SS*.  trans-96.8125.8-179.1-56.2177.8000110.1
1409P51.2Low49.1Very low70 Ų70100.4 Ų100.446%0.45554%0.544SS..BIsolated β-bridgetrans-75.6144.2171.729-32.5000113S1386 I1388S1386-P1409 VanDerWaalsContact CB-CB 3.49Å; S1386-P1409 WeakPolarHBondContact OG-CB 3.12Å; I1388-P1409 HydrophobicContact CG1-CB 4.2Å
1410I57.1Low50.3Low79 Ų7999.4 Ų99.441%0.40553%0.53SS..  trans-100.4-24.2-174.8-63.3177.2000112.7I1387 L1389I1387-I1410 WeakPolarHBondContact O-CB 3.29Å; I1387-I1410 PolarHBondContact O-N 2.82Å; L1389-I1410 HydrophobicContact CB-CD1 3.55Å; L1389-I1410 HydrophobicContact CD2-CD1 4.42Å
1411G54.6Low50.6Low19 Ų1993.5 Ų93.520%0.19652%0.515CS..  trans-150.6168.8-177.100000114S1386S1386-G1411 WeakPolarHBondContact CA-O 3.07Å; S1386-G1411 WeakPolarHBondContact CB-O 3.36Å
1412K50.3Low51.2Low180 Ų18093.8 Ų93.878%0.78351%0.511SS*.  trans-92.2-179.1174.2-77.7-175.5175.4-1800112G1385 L1414G1385-K1412 CarbonylContact O-C 3.56Å; G1385-K1412 VanDerWaalsContact O-C 3.27Å; G1385-K1412 VanDerWaalsContact O-CA 3.31Å; G1385-K1412 WeakPolarHBondContact O-CA 3.45Å; K1412-L1414 PolarHBondContact O-N 3.22Å
1413K46Very low52.2Low146 Ų14688 Ų8864%0.63549%0.485SS*.  trans-47.1122.9175.6-79.8-175.4174.6-175.60112.8G1385G1385-K1413 PolarHBondContact O-N 2.88Å
1414L54.4Low53.6Low36 Ų3685.8 Ų85.819%0.18846%0.458CS..  trans-125.2114.2156.1-70.7170.6000106.5K1412 V1417 V1447K1412-L1414 PolarHBondContact O-N 3.22Å; L1414-V1417 HydrophobicContact CB-CG2 4.33Å; L1414-V1447 HydrophobicContact CD1-CG1 4.38Å; L1414-V1447 HydrophobicContact CD1-CG2 4.43Å; L1414-V1447 HydrophobicContact CD2-CG1 4.2Å
1415S51.1Low54.7Low64 Ų6482.7 Ų82.745%0.44844%0.438SS..  trans-94.3137.5175.465.50000109.7S1428 E1430S1415-S1428 WeakPolarHBondContact O-CB 3.4Å; S1415-S1428 PolarHBondContact O-OG 3.18Å; S1415-E1430 WeakPolarHBondContact CB-OE2 3.39Å; S1415-E1430 PolarHBondContact OG-OE2 2.83Å
1416T54.8Low55.9Low68 Ų6875 Ų7542%0.41740%0.401SS..SBendtrans35.1126.8-165.660.90000117.5S1428 E1430T1416-S1428 WeakPolarHBondContact O-CA 3.13Å; T1416-S1428 PolarHBondContact O-OG 3.31Å; T1416-E1430 WeakPolarHBondContact CB-OE2 3.41Å; T1416-E1430 VanDerWaalsContact CG2-CD 3.4Å; T1416-E1430 HydrophobicContact CG2-CG 4.28Å; T1416-E1430 VanDerWaalsContact CG2-OE1 3.26Å; T1416-E1430 WeakPolarHBondContact CG2-OE1 3.49Å; T1416-E1430 WeakPolarHBondContact CG2-OE2 3.27Å; T1416-E1430 PolarHBondContact N-OE2 2.79Å; T1416-E1430 VanDerWaalsContact OG1-CB 3.23Å; T1416-E1430 WeakPolarHBondContact OG1-CB 3.48Å; T1416-E1430 WeakPolarHBondContact OG1-CG 3.2Å; T1416-E1430 PolarHBondContact OG1-OE2 3.26Å
1417V58.6Low56.5Low87 Ų8775.2 Ų75.253%0.52739%0.39SS..EExtended strand (participates in β ladder)trans-130.1110.8-153.7178.90000110.7L1414 V1426L1414-V1417 HydrophobicContact CB-CG2 4.33Å; V1417-V1426 HydrophobicContact CG1-CG1 3.13Å
1418N59.9Low57Low76 Ų7673.9 Ų73.941%0.40638%0.383SS..EExtended strand (participates in β ladder)trans-108.7155.8-178.7-96.5-47.2000111.8V1426 Y1427 T1429N1418-V1426 CarbonylContact O-C 3.57Å; N1418-V1426 VanDerWaalsContact O-C 3.29Å; N1418-V1426 WeakPolarHBondContact O-CA 3.32Å; N1418-Y1427 HydrophobicContact CB-CD1 4.4Å; N1418-Y1427 HydrophobicContact CB-CE1 4.07Å; N1418-Y1427 PolarHBondContact N-O 3.09Å; N1418-Y1427 PolarHBondContact O-N 2.99Å; N1418-T1429 HydrophobicContact CB-CG2 4.29Å; N1418-T1429 WeakPolarHBondContact ND2-CG2 3.29Å; N1418-T1429 PolarHBondContact ND2-OG1 3.3Å
1419Y56.9Low57.1Low122 Ų12271 Ų7148%0.47837%0.372SS..EExtended strand (participates in β ladder)trans-126127.4-172.6172.7-120.3000112.8D1424 I1425 V1426 L1442Y1419-D1424 PolarHBondContact OH-OD1 2.76Å; Y1419-I1425 WeakPolarHBondContact CA-O 3.48Å; Y1419-I1425 WeakPolarHBondContact CD2-O 3.44Å; Y1419-V1426 HydrophobicContact CD2-CG2 3.77Å; Y1419-L1442 HydrophobicContact CD2-CD1 4.08Å; Y1419-L1442 HydrophobicContact CE2-CD1 3.67Å
1420H58.4Low57.2Low62 Ų6271.5 Ų71.529%0.28737%0.368SS..EExtended strand (participates in β ladder)trans-104.6104.7-177.9-166.9-67.1000111.9E1422 L1423 D1424 I1425 Y1427H1420-E1422 PolarHBondContact O-N 2.91Å; H1420-L1423 WeakPolarHBondContact ND1-CG 3.23Å; H1420-L1423 PolarHBondContact O-N 2.69Å; H1420-D1424 PolarHBondContact O-N 2.84Å; H1420-I1425 HydrophobicContact CB-CG1 3.8Å; H1420-I1425 PolarHBondContact N-O 3.41Å; H1420-Y1427 HydrophobicContact CB-CD1 4.28Å; H1420-Y1427 HydrophobicContact CB-CE1 4.02Å
1421S55.7Low56.8Low85 Ų8571.8 Ų71.859%0.59437%0.369SS*.THydrogen-bonded Turntrans-65.6-28.9-167.8540000116.3L1423S1421-L1423 VanDerWaalsContact C-N 3.3Å
1422E54.8Low56.7Low163 Ų16372.1 Ų72.176%0.76237%0.373SS*.THydrogen-bonded Turntrans-79.5-15.1179.8-57.3-165.8154.900113.5H1420H1420-E1422 PolarHBondContact O-N 2.91Å
1423L57.9Low56.9Low56 Ų5671.3 Ų71.329%0.29338%0.378SS..THydrogen-bonded Turntrans-122-9.6-170.5-58.5175.1000112.7H1420 S1421 I1425 L1944H1420-L1423 WeakPolarHBondContact ND1-CG 3.23Å; H1420-L1423 PolarHBondContact O-N 2.69Å; S1421-L1423 VanDerWaalsContact C-N 3.3Å; L1423-I1425 HydrophobicContact CB-CD1 4.45Å; L1423-I1425 HydrophobicContact CB-CG1 4.09Å; L1423-I1425 HydrophobicContact CD1-CD1 4.38Å; L1423-I1425 PolarHBondContact O-N 3.23Å; L1423-L1944 HydrophobicContact CB-CD1 4.35Å; L1423-L1944 HydrophobicContact CD1-CD1 3.86Å; L1423-L1944 HydrophobicContact CD2-CD1 3.81Å; L1423-L1944 HydrophobicContact CG-CD1 4.21Å
1424D62Low57.4Low18 Ų1869.5 Ų69.510%0.09637%0.371CS..THydrogen-bonded Turntrans54.928-175.6-66.8-50000115.2Y1419 H1420 L1442 L1443 K1937Y1419-D1424 PolarHBondContact OH-OD1 2.76Å; H1420-D1424 PolarHBondContact O-N 2.84Å; D1424-L1442 WeakPolarHBondContact O-CB 3.25Å; D1424-L1442 PolarHBondContact O-N 3.2Å; D1424-L1443 HydrophobicContact CB-CD1 3.77Å; D1424-L1443 HydrophobicContact CB-CG 3.97Å; D1424-K1937 IonicContact OD1-NZ 2.69Å; D1424-K1937 WeakPolarHBondContact OD2-CD 3.4Å; D1424-K1937 WeakPolarHBondContact OD2-CE 3.34Å; D1424-K1937 IonicContact OD2-NZ 3.04Å; D1424-K1937 PolarHBondContact OD2-NZ 2.98Å
1425I66.9Low57.7Low5 Ų570.2 Ų70.23%0.02637%0.374CS..EExtended strand (participates in β ladder)trans-101150.9177.564.1173.6000112.8Y1419 H1420 L1423 Y1439 N1441 L1944Y1419-I1425 WeakPolarHBondContact CA-O 3.48Å; Y1419-I1425 WeakPolarHBondContact CD2-O 3.44Å; H1420-I1425 HydrophobicContact CB-CG1 3.8Å; H1420-I1425 PolarHBondContact N-O 3.41Å; L1423-I1425 HydrophobicContact CB-CD1 4.45Å; L1423-I1425 HydrophobicContact CB-CG1 4.09Å; L1423-I1425 HydrophobicContact CD1-CD1 4.38Å; L1423-I1425 PolarHBondContact O-N 3.23Å; I1425-Y1439 HydrophobicContact CB-CD2 3.82Å; I1425-Y1439 HydrophobicContact CB-CE2 4.43Å; I1425-Y1439 HydrophobicContact CD1-CD2 4.29Å; I1425-Y1439 HydrophobicContact CD1-CG 4.47Å; I1425-Y1439 HydrophobicContact CG2-CD2 3.69Å; I1425-Y1439 HydrophobicContact CG2-CE2 3.81Å; I1425-N1441 HydrophobicContact CG2-CB 4.43Å; I1425-L1944 HydrophobicContact CD1-CD2 4.25Å; I1425-L1944 HydrophobicContact CG2-CD2 4.05Å
1426V65.1Low58.2Low22 Ų2269.3 Ų69.313%0.13336%0.363CS..EExtended strand (participates in β ladder)trans-120.891.4-175169.70000107.6V1417 N1418 Y1419 Y1439 Y1440 L1442V1417-V1426 HydrophobicContact CG1-CG1 3.13Å; N1418-V1426 CarbonylContact O-C 3.57Å; N1418-V1426 VanDerWaalsContact O-C 3.29Å; N1418-V1426 WeakPolarHBondContact O-CA 3.32Å; Y1419-V1426 HydrophobicContact CD2-CG2 3.77Å; V1426-Y1439 CarbonylContact O-C 3.39Å; V1426-Y1439 WeakPolarHBondContact O-CA 3.08Å; V1426-Y1440 WeakPolarHBondContact CB-O 3.33Å; V1426-Y1440 PolarHBondContact N-O 3.21Å; V1426-Y1440 PolarHBondContact O-N 2.96Å; V1426-L1442 HydrophobicContact CG2-CD1 3.66Å; V1426-L1442 HydrophobicContact CG2-CD2 3.96Å; V1426-L1442 HydrophobicContact CG2-CG 3.63Å
1427Y64.6Low58.9Low63 Ų6367.1 Ų67.125%0.24735%0.348CS..EExtended strand (participates in β ladder)trans-108.5151.8-167.573-78.6000113.2N1418 H1420 T1429 F1437 S1438N1418-Y1427 HydrophobicContact CB-CD1 4.4Å; N1418-Y1427 HydrophobicContact CB-CE1 4.07Å; N1418-Y1427 PolarHBondContact N-O 3.09Å; N1418-Y1427 PolarHBondContact O-N 2.99Å; H1420-Y1427 HydrophobicContact CB-CD1 4.28Å; H1420-Y1427 HydrophobicContact CB-CE1 4.02Å; Y1427-T1429 HydrophobicContact CD2-CG2 4.15Å; Y1427-T1429 HydrophobicContact CE2-CG2 3.53Å; Y1427-F1437 AromaticContact CD2-CE2 3.84Å; Y1427-F1437 HydrophobicContact CD2-CE2 3.84Å; Y1427-F1437 HydrophobicContact CD2-CZ 4.22Å; Y1427-F1437 HydrophobicContact CG-CE2 4.43Å; Y1427-F1437 HydrophobicContact CG-CZ 4.37Å; Y1427-S1438 CarbonylContact C-O 3.36Å; Y1427-S1438 VanDerWaalsContact CA-O 3.3Å; Y1427-S1438 WeakPolarHBondContact CA-O 3.28Å; Y1427-S1438 WeakPolarHBondContact CB-O 2.98Å
1428S62.4Low59.3Low4 Ų463.1 Ų63.13%0.02832%0.324CS..EExtended strand (participates in β ladder)trans-85135.8173.3-176.80000111.6S1415 T1416 E1430 S1438 R1482S1415-S1428 WeakPolarHBondContact O-CB 3.4Å; S1415-S1428 PolarHBondContact O-OG 3.18Å; T1416-S1428 WeakPolarHBondContact O-CA 3.13Å; T1416-S1428 PolarHBondContact O-OG 3.31Å; S1428-E1430 PolarHBondContact OG-N 3.39Å; S1428-S1438 PolarHBondContact N-O 3.21Å; S1428-R1482 PolarHBondContact O-NH1 2.97Å
1429T57.2Low59.9Low65 Ų6559.5 Ų59.540%0.39931%0.305SS..  trans-104.6-4.8169.145.90000112.9N1418 Y1427N1418-T1429 HydrophobicContact CB-CG2 4.29Å; N1418-T1429 WeakPolarHBondContact ND2-CG2 3.29Å; N1418-T1429 PolarHBondContact ND2-OG1 3.3Å; Y1427-T1429 HydrophobicContact CD2-CG2 4.15Å; Y1427-T1429 HydrophobicContact CE2-CG2 3.53Å
1430E53.5Low60.4Low82 Ų8255.3 Ų55.338%0.38329%0.288SS..SBendtrans-69.3164.5172.6-110.7163.7179.300111.3S1415 T1416 S1428 R1482S1415-E1430 WeakPolarHBondContact CB-OE2 3.39Å; S1415-E1430 PolarHBondContact OG-OE2 2.83Å; T1416-E1430 WeakPolarHBondContact CB-OE2 3.41Å; T1416-E1430 VanDerWaalsContact CG2-CD 3.4Å; T1416-E1430 HydrophobicContact CG2-CG 4.28Å; T1416-E1430 VanDerWaalsContact CG2-OE1 3.26Å; T1416-E1430 WeakPolarHBondContact CG2-OE1 3.49Å; T1416-E1430 WeakPolarHBondContact CG2-OE2 3.27Å; T1416-E1430 PolarHBondContact N-OE2 2.79Å; T1416-E1430 VanDerWaalsContact OG1-CB 3.23Å; T1416-E1430 WeakPolarHBondContact OG1-CB 3.48Å; T1416-E1430 WeakPolarHBondContact OG1-CG 3.2Å; T1416-E1430 PolarHBondContact OG1-OE2 3.26Å; S1428-E1430 PolarHBondContact OG-N 3.39Å; E1430-R1482 PolarHBondContact O-NH2 3.1Å
1431I48.6Very low61Low84 Ų8452.3 Ų52.343%0.43127%0.274SS..  trans-104.3111.1172-65.2164000106T1478I1431-T1478 HydrophobicContact CG2-CG2 3.58Å; I1431-T1478 WeakPolarHBondContact CG2-OG1 3.34Å
1432G53Low61.4Low27 Ų2752.1 Ų52.128%0.27827%0.266SS..BIsolated β-bridgetrans-97.2140.2161.600000108.5Q1434 Q1435G1432-Q1434 PolarHBondContact O-N 3.08Å; G1432-Q1435 PolarHBondContact O-N 3.1Å
1433N53Low61.7Low163 Ų16346 Ų4687%0.87224%0.239SC*.THydrogen-bonded Turntrans-56-7.3-171.8-57.629.6000115.8
1434Q56.4Low61.9Low108 Ų10844.8 Ų44.851%0.50523%0.234SC..THydrogen-bonded Turntrans-133.8-3.4175-70.5171.9-27.800113.5G1432 E1451 C1452G1432-Q1434 PolarHBondContact O-N 3.08Å; Q1434-E1451 CarbonylContact O-C 3.6Å; Q1434-E1451 VanDerWaalsContact O-CA 3.26Å; Q1434-E1451 WeakPolarHBondContact O-CA 3.3Å; Q1434-C1452 PolarHBondContact O-N 3.46Å
1435Q60.6Low61.7Low51 Ų5150 Ų5024%0.23826%0.257CS..EExtended strand (participates in β ladder)trans-104.8107.9-177-84.3-1712.800111.7G1432 S1438 E1451G1432-Q1435 PolarHBondContact O-N 3.1Å; Q1435-S1438 PolarHBondContact OE1-OG 2.78Å; Q1435-S1438 VanDerWaalsContact OE1-OG 3.1Å; Q1435-E1451 HydrophobicContact CG-CG 3.51Å; Q1435-E1451 PolarHBondContact NE2-OE1 2.88Å
1436L62.2Low61.5Low44 Ų4454.9 Ų54.923%0.2328%0.278CS..EExtended strand (participates in β ladder)trans-72.2-37.5176.9-68.6168.3000111.9V1450 R1482 L1955L1436-V1450 HydrophobicContact CB-CB 4.48Å; L1436-V1450 HydrophobicContact CB-CG1 4.22Å; L1436-V1450 HydrophobicContact CD1-CG1 4.31Å; L1436-V1450 PolarHBondContact N-O 3.08Å; L1436-R1482 PolarHBondContact O-NE 2.87Å; L1436-L1955 HydrophobicContact CD1-CD1 4.18Å
1437F68.4Low61.4Low23 Ų2356.6 Ų56.610%0.10129%0.289CS..EExtended strand (participates in β ladder)trans-162141.6178.6-173.4-105.1000109.7Y1427 Y1439 V1450 F1948Y1427-F1437 AromaticContact CD2-CE2 3.84Å; Y1427-F1437 HydrophobicContact CD2-CE2 3.84Å; Y1427-F1437 HydrophobicContact CD2-CZ 4.22Å; Y1427-F1437 HydrophobicContact CG-CE2 4.43Å; Y1427-F1437 HydrophobicContact CG-CZ 4.37Å; F1437-Y1439 HydrophobicContact CD1-CD1 4.14Å; F1437-Y1439 AromaticContact CE1-CD1 3.6Å; F1437-Y1439 HydrophobicContact CE1-CD1 3.6Å; F1437-Y1439 HydrophobicContact CE1-CE1 4.19Å; F1437-Y1439 HydrophobicContact CE1-CG 4.4Å; F1437-V1450 HydrophobicContact CB-CB 4.31Å; F1437-V1450 HydrophobicContact CB-CG2 4.22Å; F1437-V1450 WeakPolarHBondContact O-CB 3.46Å; F1437-V1450 PolarHBondContact O-N 3.38Å; F1437-F1948 AromaticContact CD1-CD1 3.88Å; F1437-F1948 HydrophobicContact CD1-CD1 3.88Å; F1437-F1948 AromaticContact CD1-CE1 3.58Å; F1437-F1948 HydrophobicContact CD1-CE1 3.58Å; F1437-F1948 HydrophobicContact CD1-CZ 4.36Å; F1437-F1948 AromaticContact CE1-CD1 3.92Å; F1437-F1948 HydrophobicContact CE1-CD1 3.92Å; F1437-F1948 AromaticContact CE1-CE1 3.41Å; F1437-F1948 HydrophobicContact CE1-CE1 3.41Å; F1437-F1948 VanDerWaalsContact CE1-CE1 3.41Å; F1437-F1948 HydrophobicContact CE1-CE2 4.46Å; F1437-F1948 AromaticContact CE1-CZ 3.72Å; F1437-F1948 HydrophobicContact CE1-CZ 3.72Å; F1437-F1948 HydrophobicContact CZ-CE1 4.25Å; F1437-F1948 HydrophobicContact CZ-CZ 4.26Å
1438S68.6Low61.5Low2 Ų254.4 Ų54.41%0.01428%0.281CS..EExtended strand (participates in β ladder)trans-148.6145.1174.558.90000112.2Y1427 S1428 Q1435 I1448Y1427-S1438 CarbonylContact C-O 3.36Å; Y1427-S1438 VanDerWaalsContact CA-O 3.3Å; Y1427-S1438 WeakPolarHBondContact CA-O 3.28Å; Y1427-S1438 WeakPolarHBondContact CB-O 2.98Å; S1428-S1438 PolarHBondContact N-O 3.21Å; Q1435-S1438 PolarHBondContact OE1-OG 2.78Å; Q1435-S1438 VanDerWaalsContact OE1-OG 3.1Å; S1438-I1448 CarbonylContact C-O 3.53Å; S1438-I1448 WeakPolarHBondContact CA-O 3.34Å
1439Y71.7Confident61.6Low0 Ų056.1 Ų56.10%029%0.293CS..EExtended strand (participates in β ladder)trans-153155.4178.773.6-81.4000114.9I1425 V1426 F1437 N1441 V1447 I1448 L1944 D1945 F1948I1425-Y1439 HydrophobicContact CB-CD2 3.82Å; I1425-Y1439 HydrophobicContact CB-CE2 4.43Å; I1425-Y1439 HydrophobicContact CD1-CD2 4.29Å; I1425-Y1439 HydrophobicContact CD1-CG 4.47Å; I1425-Y1439 HydrophobicContact CG2-CD2 3.69Å; I1425-Y1439 HydrophobicContact CG2-CE2 3.81Å; V1426-Y1439 CarbonylContact O-C 3.39Å; V1426-Y1439 WeakPolarHBondContact O-CA 3.08Å; F1437-Y1439 HydrophobicContact CD1-CD1 4.14Å; F1437-Y1439 AromaticContact CE1-CD1 3.6Å; F1437-Y1439 HydrophobicContact CE1-CD1 3.6Å; F1437-Y1439 HydrophobicContact CE1-CE1 4.19Å; F1437-Y1439 HydrophobicContact CE1-CG 4.4Å; Y1439-N1441 HydrophobicContact CE2-CB 4.31Å; Y1439-V1447 CarbonylContact O-C 3.5Å; Y1439-V1447 VanDerWaalsContact O-CA 3.28Å; Y1439-V1447 WeakPolarHBondContact O-CA 3.28Å; Y1439-I1448 HydrophobicContact CD1-CB 4.35Å; Y1439-I1448 HydrophobicContact CE1-CB 3.82Å; Y1439-I1448 HydrophobicContact CE1-CD1 4.49Å; Y1439-I1448 HydrophobicContact CE1-CG2 4.02Å; Y1439-I1448 PolarHBondContact N-O 3.11Å; Y1439-I1448 PolarHBondContact O-N 2.79Å; Y1439-I1448 WeakPolarHBondContact OH-CD1 3.12Å; Y1439-L1944 HydrophobicContact CE2-CD2 3.89Å; Y1439-L1944 PolarHBondContact OH-O 3.19Å; Y1439-D1945 WeakPolarHBondContact OH-CA 3.11Å; Y1439-F1948 HydrophobicContact CE1-CB 3.65Å; Y1439-F1948 HydrophobicContact CE1-CD1 4.2Å; Y1439-F1948 AromaticContact CE1-CD2 3.77Å; Y1439-F1948 HydrophobicContact CE1-CD2 3.77Å; Y1439-F1948 HydrophobicContact CE1-CE2 4.49Å; Y1439-F1948 AromaticContact CE1-CG 3.61Å; Y1439-F1948 HydrophobicContact CE1-CG 3.61Å; Y1439-F1948 AromaticContact CZ-CD2 3.95Å
1440Y67Low61.9Low34 Ų3453 Ų5313%0.13327%0.274CS..EExtended strand (participates in β ladder)trans-107.4132.2168.3-179.6-119.5000110.2V1426 L1442 Q1445 K1446 V1447V1426-Y1440 WeakPolarHBondContact CB-O 3.33Å; V1426-Y1440 PolarHBondContact N-O 3.21Å; V1426-Y1440 PolarHBondContact O-N 2.96Å; Y1440-L1442 HydrophobicContact CD1-CD2 4.05Å; Y1440-L1442 HydrophobicContact CE1-CD2 3.91Å; Y1440-Q1445 HydrophobicContact CE2-CB 4.3Å; Y1440-Q1445 VanDerWaalsContact CE2-O 3.32Å; Y1440-Q1445 WeakPolarHBondContact CE2-O 3.2Å; Y1440-K1446 CarbonylContact C-O 3.51Å; Y1440-K1446 WeakPolarHBondContact CA-O 3.37Å; Y1440-K1446 VanDerWaalsContact CD2-O 3.27Å; Y1440-K1446 WeakPolarHBondContact CD2-O 3.25Å; Y1440-V1447 HydrophobicContact CD2-CG2 3.59Å; Y1440-V1447 HydrophobicContact CE2-CG2 4.35Å; Y1440-V1447 HydrophobicContact CG-CG2 4.4Å
1441N71.3Confident62.2Low0 Ų052.2 Ų52.20%027%0.27CS..EExtended strand (participates in β ladder)trans-95.9112.6178.6-172.2-37.1000109.5I1425 Y1439 L1443 T1444 Q1445 K1446 A1941 D1945I1425-N1441 HydrophobicContact CG2-CB 4.43Å; Y1439-N1441 HydrophobicContact CE2-CB 4.31Å; N1441-L1443 PolarHBondContact O-N 3.39Å; N1441-L1443 VanDerWaalsContact O-N 3.14Å; N1441-L1443 PolarHBondContact OD1-N 3.43Å; N1441-L1443 VanDerWaalsContact OD1-N 3.1Å; N1441-T1444 VanDerWaalsContact CB-OG1 3.26Å; N1441-T1444 WeakPolarHBondContact CB-OG1 3.3Å; N1441-T1444 PolarHBondContact ND2-OG1 2.93Å; N1441-T1444 PolarHBondContact OD1-N 2.62Å; N1441-Q1445 WeakPolarHBondContact O-CA 3.28Å; N1441-Q1445 PolarHBondContact O-N 2.98Å; N1441-K1446 PolarHBondContact N-O 2.79Å; N1441-A1941 PolarHBondContact ND2-O 2.74Å; N1441-D1945 PolarHBondContact ND2-OD1 2.88Å
1442L63.9Low62.4Low81 Ų8151.4 Ų51.442%0.42427%0.271SS..THydrogen-bonded Turntrans-64.6-20.9-175.7-70.3172.3000113.4Y1419 D1424 V1426 Y1440Y1419-L1442 HydrophobicContact CD2-CD1 4.08Å; Y1419-L1442 HydrophobicContact CE2-CD1 3.67Å; D1424-L1442 WeakPolarHBondContact O-CB 3.25Å; D1424-L1442 PolarHBondContact O-N 3.2Å; V1426-L1442 HydrophobicContact CG2-CD1 3.66Å; V1426-L1442 HydrophobicContact CG2-CD2 3.96Å; V1426-L1442 HydrophobicContact CG2-CG 3.63Å; Y1440-L1442 HydrophobicContact CD1-CD2 4.05Å; Y1440-L1442 HydrophobicContact CE1-CD2 3.91Å
1443L61.7Low62.2Low35 Ų3555.6 Ų55.618%0.18329%0.285CS..THydrogen-bonded Turntrans-98.2-29.5-174.4-64176.5000114.1D1424 N1441 K1937 Q1938 A1941D1424-L1443 HydrophobicContact CB-CD1 3.77Å; D1424-L1443 HydrophobicContact CB-CG 3.97Å; N1441-L1443 PolarHBondContact O-N 3.39Å; N1441-L1443 VanDerWaalsContact O-N 3.14Å; N1441-L1443 PolarHBondContact OD1-N 3.43Å; N1441-L1443 VanDerWaalsContact OD1-N 3.1Å; L1443-K1937 HydrophobicContact CD1-CB 3.72Å; L1443-K1937 HydrophobicContact CD1-CD 4.25Å; L1443-Q1938 PolarHBondContact O-NE2 2.97Å; L1443-A1941 HydrophobicContact CB-CB 4.27Å; L1443-A1941 HydrophobicContact CD1-CB 4.39Å
1444T61.8Low61.6Low30 Ų3055.4 Ų55.418%0.18428%0.276CS..THydrogen-bonded Turntrans-102.6-9.9174.467.10000112.9N1441 K1446 A1941 K1942 D1945N1441-T1444 VanDerWaalsContact CB-OG1 3.26Å; N1441-T1444 WeakPolarHBondContact CB-OG1 3.3Å; N1441-T1444 PolarHBondContact ND2-OG1 2.93Å; N1441-T1444 PolarHBondContact OD1-N 2.62Å; T1444-K1446 PolarHBondContact O-N 2.76Å; T1444-A1941 HydrophobicContact CG2-CB 3.79Å; T1444-K1942 HydrophobicContact CG2-CG 3.89Å; T1444-D1945 WeakPolarHBondContact CB-OD2 3.3Å; T1444-D1945 WeakPolarHBondContact CG2-OD2 3.34Å; T1444-D1945 PolarHBondContact OG1-OD2 3.3Å
1445Q58.5Low60.7Low126 Ų12653 Ų5359%0.58927%0.27SS*.  trans56.120.9-175-58.3-174.8-1.100114.2Y1440 N1441Y1440-Q1445 HydrophobicContact CE2-CB 4.3Å; Y1440-Q1445 VanDerWaalsContact CE2-O 3.32Å; Y1440-Q1445 WeakPolarHBondContact CE2-O 3.2Å; N1441-Q1445 WeakPolarHBondContact O-CA 3.28Å; N1441-Q1445 PolarHBondContact O-N 2.98Å
1446K62.2Low59.6Low108 Ų10858.1 Ų58.147%0.4730%0.299SS..  trans-82.9143.6172-69.2-162.9-176.6179.30111.7Y1440 N1441 T1444 D1945Y1440-K1446 CarbonylContact C-O 3.51Å; Y1440-K1446 WeakPolarHBondContact CA-O 3.37Å; Y1440-K1446 VanDerWaalsContact CD2-O 3.27Å; Y1440-K1446 WeakPolarHBondContact CD2-O 3.25Å; N1441-K1446 PolarHBondContact N-O 2.79Å; T1444-K1446 PolarHBondContact O-N 2.76Å; K1446-D1945 HydrophobicContact CD-CB 4.31Å; K1446-D1945 WeakPolarHBondContact CD-OD2 3.39Å
1447V63.7Low58.2Low59 Ų5962.1 Ų62.136%0.35832%0.32SS..EExtended strand (participates in β ladder)trans-99.5135.3156.1-177.20000107.9L1414 Y1439 Y1440L1414-V1447 HydrophobicContact CD1-CG1 4.38Å; L1414-V1447 HydrophobicContact CD1-CG2 4.43Å; L1414-V1447 HydrophobicContact CD2-CG1 4.2Å; Y1439-V1447 CarbonylContact O-C 3.5Å; Y1439-V1447 VanDerWaalsContact O-CA 3.28Å; Y1439-V1447 WeakPolarHBondContact O-CA 3.28Å; Y1440-V1447 HydrophobicContact CD2-CG2 3.59Å; Y1440-V1447 HydrophobicContact CE2-CG2 4.35Å; Y1440-V1447 HydrophobicContact CG-CG2 4.4Å
1448I65.6Low56.7Low17 Ų1770.8 Ų70.89%0.08736%0.36CS..EExtended strand (participates in β ladder)trans-127.6121.4169.2-69.7161.8000107.7S1438 Y1439 D1945 F1948S1438-I1448 CarbonylContact C-O 3.53Å; S1438-I1448 WeakPolarHBondContact CA-O 3.34Å; Y1439-I1448 HydrophobicContact CD1-CB 4.35Å; Y1439-I1448 HydrophobicContact CE1-CB 3.82Å; Y1439-I1448 HydrophobicContact CE1-CD1 4.49Å; Y1439-I1448 HydrophobicContact CE1-CG2 4.02Å; Y1439-I1448 PolarHBondContact N-O 3.11Å; Y1439-I1448 PolarHBondContact O-N 2.79Å; Y1439-I1448 WeakPolarHBondContact OH-CD1 3.12Å; I1448-D1945 HydrophobicContact CD1-CB 3.73Å; I1448-D1945 WeakPolarHBondContact CD1-O 3.41Å; I1448-F1948 HydrophobicContact CG2-CB 4.06Å
1449S63.9Low54.7Low39 Ų3976.3 Ų76.327%0.27339%0.39SS..EExtended strand (participates in β ladder)trans-110.7142.6168.849.20000110.4E1451S1449-E1451 WeakPolarHBondContact CB-OE1 3.49Å; S1449-E1451 PolarHBondContact OG-OE1 2.86Å
1450V63.9Low53.3Low0 Ų081.2 Ų81.20%042%0.424CS..EExtended strand (participates in β ladder)trans-103.6102.3172.7-174.60000106.1L1436 F1437 F1951 A1952 L1955L1436-V1450 HydrophobicContact CB-CB 4.48Å; L1436-V1450 HydrophobicContact CB-CG1 4.22Å; L1436-V1450 HydrophobicContact CD1-CG1 4.31Å; L1436-V1450 PolarHBondContact N-O 3.08Å; F1437-V1450 HydrophobicContact CB-CB 4.31Å; F1437-V1450 HydrophobicContact CB-CG2 4.22Å; F1437-V1450 WeakPolarHBondContact O-CB 3.46Å; F1437-V1450 PolarHBondContact O-N 3.38Å; V1450-F1951 HydrophobicContact CG1-CD1 3.97Å; V1450-F1951 HydrophobicContact CG1-CE1 3.92Å; V1450-F1951 HydrophobicContact CG2-CD1 4.02Å; V1450-F1951 HydrophobicContact CG2-CE1 4.47Å; V1450-A1952 HydrophobicContact CG2-CB 4.4Å; V1450-L1955 HydrophobicContact CG1-CD1 3.34Å
1451E60Low51.6Low66 Ų6684.6 Ų84.631%0.30844%0.44SS..EExtended strand (participates in β ladder)trans-112.6138.9-172-76.7165.7-158.500111.5Q1434 Q1435 S1449 M1453Q1434-E1451 CarbonylContact O-C 3.6Å; Q1434-E1451 VanDerWaalsContact O-CA 3.26Å; Q1434-E1451 WeakPolarHBondContact O-CA 3.3Å; Q1435-E1451 HydrophobicContact CG-CG 3.51Å; Q1435-E1451 PolarHBondContact NE2-OE1 2.88Å; S1449-E1451 WeakPolarHBondContact CB-OE1 3.49Å; S1449-E1451 PolarHBondContact OG-OE1 2.86Å; E1451-M1453 HydrophobicContact CB-CE 3.88Å; E1451-M1453 WeakPolarHBondContact OE2-CE 3.45Å
1452C52.8Low49.9Very low67 Ų6788 Ų8845%0.45346%0.456SS..  trans-92.6111.3170.4-1710000108.6Q1434Q1434-C1452 PolarHBondContact O-N 3.46Å
1453M49.2Very low48.7Very low114 Ų11488.3 Ų88.356%0.56246%0.459SS*.  trans-88.5124.7-174.2-73.6-73.2156.300111.4E1451 P1455E1451-M1453 HydrophobicContact CB-CE 3.88Å; E1451-M1453 WeakPolarHBondContact OE2-CE 3.45Å; M1453-P1455 VanDerWaalsContact O-CD 3.29Å; M1453-P1455 WeakPolarHBondContact O-CD 3.24Å
1454K40.3Very low47.4Very low159 Ų15988.4 Ų88.469%0.69146%0.459SS*.  trans-90.3110.4162-66.7-166.2176.4-164.70108.9D1456K1454-D1456 PolarHBondContact O-N 2.94Å
1455P38.3Very low46.1Very low58 Ų5890.1 Ų90.138%0.37746%0.464SS..  trans-73.2112.6167.427.8-34.1000111M1453 I1457 M1462M1453-P1455 VanDerWaalsContact O-CD 3.29Å; M1453-P1455 WeakPolarHBondContact O-CD 3.24Å; P1455-I1457 VanDerWaalsContact C-N 3.32Å; P1455-I1457 PolarHBondContact O-N 2.88Å; P1455-M1462 VanDerWaalsContact CD-CE 3.43Å; P1455-M1462 HydrophobicContact CG-CE 3.52Å
1456D37.3Very low44.9Very low158 Ų15890.5 Ų90.585%0.84547%0.466SS*.  trans-75.478.3171.3-69.3-42.4000111.2K1454K1454-D1456 PolarHBondContact O-N 2.94Å
1457I31.4Very low43.6Very low129 Ų12986.8 Ų86.866%0.66245%0.452SS*.SBendtrans-152.2136.2159.8-96.2138.5000108.6P1455 D1459P1455-I1457 VanDerWaalsContact C-N 3.32Å; P1455-I1457 PolarHBondContact O-N 2.88Å; I1457-D1459 HydrophobicContact CG2-CB 4.11Å; I1457-D1459 PolarHBondContact O-N 2.81Å
1458Q37.2Very low42.2Very low204 Ų20490.2 Ų90.295%0.95347%0.469SS*.  trans-81.277.3177.9-68.2176.9-35.900111
1459D27.5Very low41Very low118 Ų11892.4 Ų92.463%0.63148%0.478SS*.  trans-121.6143.3168.1-94-52.5000111I1457 F1461 M1462I1457-D1459 HydrophobicContact CG2-CB 4.11Å; I1457-D1459 PolarHBondContact O-N 2.81Å; D1459-F1461 PolarHBondContact O-N 3.48Å; D1459-M1462 PolarHBondContact O-N 3.28Å
1460S42.7Very low39.6Very low104 Ų10494.6 Ų94.673%0.72749%0.486SS*.THydrogen-bonded Turntrans-67.73.7-165.355.70000116.2M1462S1460-M1462 PolarHBondContact O-N 3.11Å
1461F30.7Very low38.2Very low105 Ų105100.4 Ų100.446%0.46152%0.515SS..THydrogen-bonded Turntrans-67.5-23.9170.5-163.3-98.7000112.4D1459 N1463 N1464D1459-F1461 PolarHBondContact O-N 3.48Å; F1461-N1463 PolarHBondContact O-N 2.87Å; F1461-N1464 PolarHBondContact O-N 2.84Å; F1461-N1464 VanDerWaalsContact O-N 3.08Å
1462M36.3Very low37.1Very low70 Ų70100.1 Ų100.135%0.34552%0.518SS..THydrogen-bonded Turntrans-65.6-35.5-176.8-105.4-63.4171.200114.4P1455 D1459 S1460 N1464 F1465P1455-M1462 VanDerWaalsContact CD-CE 3.43Å; P1455-M1462 HydrophobicContact CG-CE 3.52Å; D1459-M1462 PolarHBondContact O-N 3.28Å; S1460-M1462 PolarHBondContact O-N 3.11Å; M1462-N1464 PolarHBondContact O-N 2.94Å; M1462-N1464 VanDerWaalsContact O-N 3.1Å; M1462-F1465 WeakPolarHBondContact O-CB 3.21Å; M1462-F1465 PolarHBondContact O-N 3.34Å; M1462-F1465 HydrophobicContact SD-CB 3.89Å; M1462-F1465 HydrophobicContact SD-CG 4.48Å
1463N38.5Very low36.1Very low89 Ų89100.8 Ų100.848%0.47652%0.523SS..Hα-helixtrans-57.5-26.4172.9-65.644.5000112.1F1461 T1467F1461-N1463 PolarHBondContact O-N 2.87Å; N1463-T1467 PolarHBondContact O-OG1 2.89Å
1464N34.2Very low35.8Very low37 Ų3796.3 Ų96.320%0.19850%0.501CS..Hα-helixtrans-89.4-1.3176.6-76.422.2000113.6F1461 M1462 T1467 N1468 T1965F1461-N1464 PolarHBondContact O-N 2.84Å; F1461-N1464 VanDerWaalsContact O-N 3.08Å; M1462-N1464 PolarHBondContact O-N 2.94Å; M1462-N1464 VanDerWaalsContact O-N 3.1Å; N1464-T1467 WeakPolarHBondContact CA-OG1 3.27Å; N1464-N1468 WeakPolarHBondContact O-CB 3.24Å; N1464-N1468 PolarHBondContact O-ND2 3.5Å; N1464-T1965 PolarHBondContact ND2-O 3.13Å
1465F34.1Very low35.8Very low66 Ų6694.4 Ų94.429%0.28949%0.493SS..Hα-helixtrans-89.3-46.4176.8-161.1-92.5000112M1462 T1467 N1468 F1469M1462-F1465 WeakPolarHBondContact O-CB 3.21Å; M1462-F1465 PolarHBondContact O-N 3.34Å; M1462-F1465 HydrophobicContact SD-CB 3.89Å; M1462-F1465 HydrophobicContact SD-CG 4.48Å; F1465-T1467 PolarHBondContact O-N 3Å; F1465-N1468 PolarHBondContact O-N 3.28Å; F1465-F1469 HydrophobicContact CE1-CB 4.27Å; F1465-F1469 HydrophobicContact CE1-CD2 4.39Å; F1465-F1469 HydrophobicContact CE1-CG 4.48Å; F1465-F1469 HydrophobicContact CZ-CD2 4.17Å; F1465-F1469 PolarHBondContact O-N 3.16Å
1466E32.4Very low36Very low133 Ų13393.8 Ų93.862%0.62149%0.485SS*.Hα-helixtrans-62-44.1176.9-63.2-173.6147.600111N1468 L1470E1466-N1468 VanDerWaalsContact C-N 3.27Å; E1466-N1468 PolarHBondContact O-N 2.87Å; E1466-L1470 CarbonylContact O-C 3.4Å; E1466-L1470 WeakPolarHBondContact O-CA 3.05Å; E1466-L1470 PolarHBondContact O-N 2.89Å
1467T35.3Very low36.5Very low30 Ų3093.5 Ų93.518%0.18448%0.484CS..Hα-helixtrans-67.1-17.7175.952.20000114.6N1463 N1464 F1465 M1471N1463-T1467 PolarHBondContact O-OG1 2.89Å; N1464-T1467 WeakPolarHBondContact CA-OG1 3.27Å; F1465-T1467 PolarHBondContact O-N 3Å; T1467-M1471 VanDerWaalsContact O-CE 3.28Å; T1467-M1471 WeakPolarHBondContact O-CE 3Å; T1467-M1471 WeakPolarHBondContact O-CG 3.26Å
1468N35Very low37.8Very low131 Ų13189.2 Ų89.270%0.70146%0.463SS*.Hα-helixtrans-101.4-27.6176.3-83.8-71000114.2N1464 F1465 E1466N1464-N1468 WeakPolarHBondContact O-CB 3.24Å; N1464-N1468 PolarHBondContact O-ND2 3.5Å; F1465-N1468 PolarHBondContact O-N 3.28Å; E1466-N1468 VanDerWaalsContact C-N 3.27Å; E1466-N1468 PolarHBondContact O-N 2.87Å
1469F40.1Very low38.9Very low64 Ų6479.6 Ų79.628%0.28142%0.419SS..Hα-helixtrans-104.7-27.9-177.7-146.7-73000113.3F1465 T1567 L1955F1465-F1469 HydrophobicContact CE1-CB 4.27Å; F1465-F1469 HydrophobicContact CE1-CD2 4.39Å; F1465-F1469 HydrophobicContact CE1-CG 4.48Å; F1465-F1469 HydrophobicContact CZ-CD2 4.17Å; F1465-F1469 PolarHBondContact O-N 3.16Å; F1469-T1567 HydrophobicContact CD2-CG2 3.67Å; F1469-T1567 HydrophobicContact CE2-CG2 3.27Å; F1469-T1567 HydrophobicContact CG-CG2 4.5Å; F1469-T1567 HydrophobicContact CZ-CG2 3.79Å; F1469-L1955 HydrophobicContact CE2-CD2 3.98Å; F1469-L1955 HydrophobicContact CZ-CD2 3.59Å
1470L35.6Very low40.5Very low84 Ų8476.6 Ų76.644%0.4441%0.406SS..  trans-129.539.5-168.6-63.2174.7000113E1466 T1472E1466-L1470 CarbonylContact O-C 3.4Å; E1466-L1470 WeakPolarHBondContact O-CA 3.05Å; E1466-L1470 PolarHBondContact O-N 2.89Å; L1470-T1472 CarbonylContact O-C 3.44Å; L1470-T1472 VanDerWaalsContact O-C 3.24Å; L1470-T1472 WeakPolarHBondContact O-CA 3.22Å; L1470-T1472 PolarHBondContact O-N 3.09Å
1471M34.3Very low41.8Very low123 Ų12375 Ų7561%0.60639%0.387SS*.SBendtrans-53.5-2.6-177.9-99.6-120.9165.500118.2T1467 L1529T1467-M1471 VanDerWaalsContact O-CE 3.28Å; T1467-M1471 WeakPolarHBondContact O-CE 3Å; T1467-M1471 WeakPolarHBondContact O-CG 3.26Å; M1471-L1529 HydrophobicContact SD-CD2 3.74Å
1472T35.4Very low43.7Very low60 Ų6072.8 Ų72.837%0.36838%0.376SS..SBendtrans-144.2132.8151.753.80000106.9L1470 I1474L1470-T1472 CarbonylContact O-C 3.44Å; L1470-T1472 VanDerWaalsContact O-C 3.24Å; L1470-T1472 WeakPolarHBondContact O-CA 3.22Å; L1470-T1472 PolarHBondContact O-N 3.09Å; T1472-I1474 PolarHBondContact O-N 2.87Å; T1472-I1474 VanDerWaalsContact O-N 3.14Å
1473S32.7Very low45.7Very low80 Ų8073 Ų7356%0.55938%0.376SS*.  trans-54.9117.8167.338.40000109.8F1475S1473-F1475 VanDerWaalsContact OG-CZ 3.31Å; S1473-F1475 WeakPolarHBondContact OG-CZ 3.3Å
1474I43.5Very low47.6Very low20 Ų2072.1 Ų72.110%0.10337%0.37CS..  trans-98.4112.3161.6-63.2-171.6000104.3T1472 E1476 Y1495 V1554 R1556T1472-I1474 PolarHBondContact O-N 2.87Å; T1472-I1474 VanDerWaalsContact O-N 3.14Å; I1474-E1476 CarbonylContact O-C 3.52Å; I1474-E1476 PolarHBondContact O-N 3.03Å; I1474-Y1495 HydrophobicContact CG2-CD1 4.35Å; I1474-Y1495 HydrophobicContact CG2-CG 4.45Å; I1474-V1554 HydrophobicContact CD1-CG1 3.93Å; I1474-R1556 VanDerWaalsContact CD1-NH2 3.34Å
1475F39.4Very low49.5Very low120 Ų12070.7 Ų70.753%0.52636%0.364SS..SBendtrans-74.132.5-171.5-66.3-76.9000114.8S1473 I1500S1473-F1475 VanDerWaalsContact OG-CZ 3.31Å; S1473-F1475 WeakPolarHBondContact OG-CZ 3.3Å; F1475-I1500 HydrophobicContact CD1-CD1 3.8Å; F1475-I1500 HydrophobicContact CD2-CD1 3.98Å; F1475-I1500 HydrophobicContact CE1-CD1 3.67Å; F1475-I1500 HydrophobicContact CE2-CD1 3.85Å; F1475-I1500 HydrophobicContact CG-CD1 3.94Å; F1475-I1500 HydrophobicContact CG-CG1 4.4Å; F1475-I1500 HydrophobicContact CZ-CD1 3.68Å
1476E42.9Very low51Low45 Ų4573.4 Ų73.421%0.2139%0.391CS..SBendtrans-138.4114.8153.3-69.9-162.5155.300107.8I1474 T1478 C1480 K1498I1474-E1476 CarbonylContact O-C 3.52Å; I1474-E1476 PolarHBondContact O-N 3.03Å; E1476-T1478 PolarHBondContact O-N 3.36Å; E1476-C1480 PolarHBondContact OE2-SG 3.35Å; E1476-C1480 VanDerWaalsContact OE2-SG 3.42Å; E1476-K1498 WeakPolarHBondContact OE1-CE 3.41Å; E1476-K1498 IonicContact OE1-NZ 2.65Å; E1476-K1498 PolarHBondContact OE1-NZ 2.88Å
1477D48.4Very low52.5Low152 Ų15270.5 Ų70.581%0.81338%0.379SS*.SBendtrans-57.6-17.7-176.8-77.6-20.4000114.5
1478T57.2Low54.2Low38 Ų3870.1 Ų70.123%0.23338%0.381CS..SBendtrans-136.1141.3-162.965.20000112.6I1431 E1476I1431-T1478 HydrophobicContact CG2-CG2 3.58Å; I1431-T1478 WeakPolarHBondContact CG2-OG1 3.34Å; E1476-T1478 PolarHBondContact O-N 3.36Å
1479P61.4Low56.2Low3 Ų366.7 Ų66.72%0.01936%0.36CS..  trans-77130.2-174.930.9-36.4000112.9R1482 L1493 V1494 Y1495P1479-R1482 HydrophobicContact CG-CG 4.43Å; P1479-L1493 HydrophobicContact CB-CB 3.88Å; P1479-L1493 HydrophobicContact CB-CD2 4.18Å; P1479-L1493 HydrophobicContact CB-CG 4.43Å; P1479-L1493 HydrophobicContact CG-CB 4.39Å; P1479-L1493 HydrophobicContact CG-CD1 4.21Å; P1479-L1493 HydrophobicContact CG-CD2 3.98Å; P1479-L1493 HydrophobicContact CG-CG 4.43Å; P1479-V1494 CarbonylContact C-O 3.58Å; P1479-V1494 WeakPolarHBondContact CA-O 3.39Å; P1479-Y1495 HydrophobicContact CB-CD1 4.4Å; P1479-Y1495 HydrophobicContact CB-CE1 4Å; P1479-Y1495 HydrophobicContact CB-CE2 4.13Å
1480C61.4Low58.1Low54 Ų5465.2 Ų65.237%0.36535%0.353SS..SBendtrans-70.9-34.1178.8-29.50000112.5E1476 V1494 R1496E1476-C1480 PolarHBondContact OE2-SG 3.35Å; E1476-C1480 VanDerWaalsContact OE2-SG 3.42Å; C1480-V1494 PolarHBondContact N-O 2.78Å; C1480-R1496 HydrophobicContact CB-CG 4.44Å; C1480-R1496 PolarHBondContact SG-N 2.77Å
1481E68.4Low60.2Low70 Ų7061.7 Ų61.733%0.32733%0.334SS..EExtended strand (participates in β ladder)trans-133.7147.8176.9-50.2174.6-15700111.4H1483 V1494 R1496E1481-H1483 IonicContact OE2-CE1 3.55Å; E1481-H1483 IonicContact OE2-NE2 3.83Å; E1481-H1483 PolarHBondContact OE2-NE2 2.62Å; E1481-V1494 HydrophobicContact CB-CB 3.99Å; E1481-V1494 HydrophobicContact CB-CG2 4.14Å; E1481-V1494 PolarHBondContact N-O 3.38Å; E1481-V1494 PolarHBondContact O-N 2.79Å; E1481-R1496 IonicContact OE1-CZ 2.93Å; E1481-R1496 IonicContact OE1-NE 3.28Å; E1481-R1496 IonicContact OE1-NH2 3.54Å; E1481-R1496 PolarHBondContact OE1-NH2 2.9Å
1482R72.2Confident62.4Low60 Ų6055.9 Ų55.923%0.22631%0.306CS..EExtended strand (participates in β ladder)trans-131.3109.4-176.2-50.1-178.6-1701531.7108.7S1428 E1430 L1436 P1479 L1493S1428-R1482 PolarHBondContact O-NH1 2.97Å; E1430-R1482 PolarHBondContact O-NH2 3.1Å; L1436-R1482 PolarHBondContact O-NE 2.87Å; P1479-R1482 HydrophobicContact CG-CG 4.43Å; R1482-L1493 HydrophobicContact CB-CD2 4.14Å; R1482-L1493 HydrophobicContact CG-CD2 3.91Å
1483H77.4Confident64.5Low75 Ų7553.3 Ų53.335%0.34729%0.29SS..EExtended strand (participates in β ladder)trans-114.5123.1-176.6-65.9-93000110.7E1481 A1492E1481-H1483 IonicContact OE2-CE1 3.55Å; E1481-H1483 IonicContact OE2-NE2 3.83Å; E1481-H1483 PolarHBondContact OE2-NE2 2.62Å; H1483-A1492 HydrophobicContact CB-CB 4.31Å; H1483-A1492 PolarHBondContact N-O 2.95Å; H1483-A1492 PolarHBondContact O-N 2.95Å
1484L78.4Confident66.4Low69 Ų6949.9 Ų49.936%0.36127%0.265SS..EExtended strand (participates in β ladder)trans-97.7142.6177.2-166.272.8000110.2L1491 L1560L1484-L1491 HydrophobicContact CD1-CD1 4.45Å; L1484-L1560 HydrophobicContact CD1-CD1 3.82Å
1485S74.5Confident67.7Low8 Ų849.3 Ų49.36%0.05626%0.262CS..  trans-68.4156.2172.256.20000112.1D1487 G1488 K1489 R1490S1485-D1487 VanDerWaalsContact CB-OD1 3.27Å; S1485-D1487 WeakPolarHBondContact CB-OD1 3.24Å; S1485-D1487 PolarHBondContact O-N 3.29Å; S1485-D1487 VanDerWaalsContact O-N 3.15Å; S1485-D1487 PolarHBondContact OG-OD1 3.12Å; S1485-G1488 PolarHBondContact O-N 2.68Å; S1485-K1489 PolarHBondContact OG-N 3.23Å; S1485-R1490 PolarHBondContact N-O 3.22Å; S1485-R1490 PolarHBondContact OG-N 3.3Å; S1485-R1490 PolarHBondContact OG-O 3.12Å
1486S65.7Low68.8Low122 Ų12249.2 Ų49.285%0.85326%0.258SS*.THydrogen-bonded Turntrans-62.6-18.6179.949.70000114.8
1487D64.5Low69.4Low72 Ų7249.3 Ų49.339%0.38526%0.262SS..THydrogen-bonded Turntrans-95.4-1.3172.9616.2000113.7S1485 K1489 T1585S1485-D1487 VanDerWaalsContact CB-OD1 3.27Å; S1485-D1487 WeakPolarHBondContact CB-OD1 3.24Å; S1485-D1487 PolarHBondContact O-N 3.29Å; S1485-D1487 VanDerWaalsContact O-N 3.15Å; S1485-D1487 PolarHBondContact OG-OD1 3.12Å; D1487-K1489 HydrophobicContact CB-CD 4.46Å; D1487-K1489 HydrophobicContact CB-CG 4.26Å; D1487-K1489 PolarHBondContact O-N 3.41Å; D1487-K1489 WeakPolarHBondContact OD1-CB 3.31Å; D1487-K1489 PolarHBondContact OD1-N 2.65Å; D1487-T1585 WeakPolarHBondContact OD2-CG2 3.27Å
1488G70.3Confident69.4Low22 Ų2248.8 Ų48.823%0.22725%0.252CS..SBendtrans69.78.6-176.600000115S1485 L1560S1485-G1488 PolarHBondContact O-N 2.68Å; G1488-L1560 WeakPolarHBondContact O-CD1 3.38Å
1489K77.6Confident68.4Low59 Ų5951.8 Ų51.826%0.25728%0.275SS..  trans-90-19.5-172.8-65.5-174.6171.9-69.50115.1S1485 D1487 L1560 D1561S1485-K1489 PolarHBondContact OG-N 3.23Å; D1487-K1489 HydrophobicContact CB-CD 4.46Å; D1487-K1489 HydrophobicContact CB-CG 4.26Å; D1487-K1489 PolarHBondContact O-N 3.41Å; D1487-K1489 WeakPolarHBondContact OD1-CB 3.31Å; D1487-K1489 PolarHBondContact OD1-N 2.65Å; K1489-L1560 WeakPolarHBondContact O-CB 3.29Å; K1489-L1560 PolarHBondContact O-N 2.81Å; K1489-D1561 IonicContact NZ-OD1 3.55Å; K1489-D1561 PolarHBondContact NZ-OD1 3.36Å; K1489-D1561 IonicContact NZ-OD2 2.69Å; K1489-D1561 PolarHBondContact NZ-OD2 3.02Å
1490R78.5Confident67.1Low34 Ų3454.3 Ų54.313%0.12829%0.288CS..EExtended strand (participates in β ladder)trans-134.5143.9-178.5-63.8-160.1-173141.213112.6S1485 L1557 Y1558 D1559 M1583 T1585S1485-R1490 PolarHBondContact N-O 3.22Å; S1485-R1490 PolarHBondContact OG-N 3.3Å; S1485-R1490 PolarHBondContact OG-O 3.12Å; R1490-L1557 HydrophobicContact CB-CD1 4.23Å; R1490-Y1558 VanDerWaalsContact CA-O 3.23Å; R1490-Y1558 WeakPolarHBondContact CA-O 3.47Å; R1490-Y1558 VanDerWaalsContact CB-O 3.29Å; R1490-Y1558 WeakPolarHBondContact CB-O 3.29Å; R1490-D1559 IonicContact NE-OD1 2.82Å; R1490-M1583 HydrophobicContact CB-CE 4.29Å; R1490-T1585 HydrophobicContact CG-CG2 4.12Å; R1490-T1585 VanDerWaalsContact NH1-CA 3.31Å; R1490-T1585 PolarHBondContact NH1-O 3.15Å; R1490-T1585 PolarHBondContact NH2-O 2.75Å; R1490-T1585 VanDerWaalsContact NH2-O 3.12Å
1491L80.8Confident65.6Low10 Ų1056.8 Ų56.85%0.05230%0.296CS..EExtended strand (participates in β ladder)trans-119.6117.2178.617964.1000108.2L1484 L1493 Y1558 L1560 F1951L1484-L1491 HydrophobicContact CD1-CD1 4.45Å; L1491-L1493 HydrophobicContact CD1-CD2 4.14Å; L1491-L1493 HydrophobicContact CD2-CD2 3.96Å; L1491-L1493 HydrophobicContact CD2-CG 4.32Å; L1491-L1493 HydrophobicContact CG-CD2 3.86Å; L1491-L1493 HydrophobicContact CG-CG 4.18Å; L1491-Y1558 PolarHBondContact N-O 3.16Å; L1491-Y1558 VanDerWaalsContact N-O 3.08Å; L1491-Y1558 PolarHBondContact O-N 3.07Å; L1491-L1560 HydrophobicContact CB-CD1 4.32Å; L1491-L1560 HydrophobicContact CB-CD2 4.44Å; L1491-L1560 HydrophobicContact CB-CG 4.48Å; L1491-F1951 HydrophobicContact CD2-CE1 4.1Å; L1491-F1951 HydrophobicContact CD2-CZ 4.28Å
1492A79.5Confident63.8Low0 Ų058.1 Ų58.10%031%0.306CS..EExtended strand (participates in β ladder)trans-93.1121.616700000109H1483 I1555 R1556 L1557 M1583H1483-A1492 HydrophobicContact CB-CB 4.31Å; H1483-A1492 PolarHBondContact N-O 2.95Å; H1483-A1492 PolarHBondContact O-N 2.95Å; A1492-I1555 HydrophobicContact CB-CG2 4.06Å; A1492-R1556 WeakPolarHBondContact CA-O 3.3Å; A1492-L1557 HydrophobicContact CB-CD1 4.29Å; A1492-M1583 HydrophobicContact CB-CE 4.18Å; A1492-M1583 HydrophobicContact CB-SD 3.63Å
1493L78.9Confident61.6Low7 Ų757.7 Ų57.74%0.03731%0.308CS..EExtended strand (participates in β ladder)trans-102.7121.6172.3-64.5-174.2000108.1P1479 R1482 L1491 Y1495 R1556 Y1558P1479-L1493 HydrophobicContact CB-CB 3.88Å; P1479-L1493 HydrophobicContact CB-CD2 4.18Å; P1479-L1493 HydrophobicContact CB-CG 4.43Å; P1479-L1493 HydrophobicContact CG-CB 4.39Å; P1479-L1493 HydrophobicContact CG-CD1 4.21Å; P1479-L1493 HydrophobicContact CG-CD2 3.98Å; P1479-L1493 HydrophobicContact CG-CG 4.43Å; R1482-L1493 HydrophobicContact CB-CD2 4.14Å; R1482-L1493 HydrophobicContact CG-CD2 3.91Å; L1491-L1493 HydrophobicContact CD1-CD2 4.14Å; L1491-L1493 HydrophobicContact CD2-CD2 3.96Å; L1491-L1493 HydrophobicContact CD2-CG 4.32Å; L1491-L1493 HydrophobicContact CG-CD2 3.86Å; L1491-L1493 HydrophobicContact CG-CG 4.18Å; L1493-Y1495 HydrophobicContact CB-CE2 3.69Å; L1493-R1556 PolarHBondContact N-O 3.04Å; L1493-R1556 PolarHBondContact O-N 2.85Å; L1493-Y1558 HydrophobicContact CB-CE2 4.15Å; L1493-Y1558 HydrophobicContact CD1-CD2 4.13Å; L1493-Y1558 HydrophobicContact CD1-CE2 3.63Å; L1493-Y1558 HydrophobicContact CG-CD2 4.13Å; L1493-Y1558 HydrophobicContact CG-CE2 3.95Å
1494V74.6Confident59.1Low8 Ų859.6 Ų59.65%0.04832%0.321CS..EExtended strand (participates in β ladder)trans-104.9127.7-178.3-168.20000109.2P1479 C1480 E1481 V1554 I1555 I1580P1479-V1494 CarbonylContact C-O 3.58Å; P1479-V1494 WeakPolarHBondContact CA-O 3.39Å; C1480-V1494 PolarHBondContact N-O 2.78Å; E1481-V1494 HydrophobicContact CB-CB 3.99Å; E1481-V1494 HydrophobicContact CB-CG2 4.14Å; E1481-V1494 PolarHBondContact N-O 3.38Å; E1481-V1494 PolarHBondContact O-N 2.79Å; V1494-V1554 WeakPolarHBondContact CA-O 3.18Å; V1494-I1555 HydrophobicContact CG1-CG1 4.4Å; V1494-I1555 HydrophobicContact CG2-CG1 4.41Å; V1494-I1580 HydrophobicContact CG2-CD1 4.09Å
1495Y69Low56.4Low7 Ų764 Ų643%0.02734%0.337CS..EExtended strand (participates in β ladder)trans-115.1145.9176.8-56.4-104.3000108I1474 P1479 L1493 V1554 R1556I1474-Y1495 HydrophobicContact CG2-CD1 4.35Å; I1474-Y1495 HydrophobicContact CG2-CG 4.45Å; P1479-Y1495 HydrophobicContact CB-CD1 4.4Å; P1479-Y1495 HydrophobicContact CB-CE1 4Å; P1479-Y1495 HydrophobicContact CB-CE2 4.13Å; L1493-Y1495 HydrophobicContact CB-CE2 3.69Å; Y1495-V1554 PolarHBondContact N-O 2.81Å; Y1495-V1554 PolarHBondContact O-N 2.88Å; Y1495-R1556 HydrophobicContact CD2-CG 4.46Å; Y1495-R1556 HydrophobicContact CE2-CB 4.14Å; Y1495-R1556 HydrophobicContact CE2-CG 4.06Å
1496R63.3Low54Low118 Ų11870.3 Ų70.345%0.44537%0.37SS..EExtended strand (participates in β ladder)trans-111.2117.9174.2-63.4-176.6-176.5-150.91.1107.5C1480 E1481 K1498 T1553C1480-R1496 HydrophobicContact CB-CG 4.44Å; C1480-R1496 PolarHBondContact SG-N 2.77Å; E1481-R1496 IonicContact OE1-CZ 2.93Å; E1481-R1496 IonicContact OE1-NE 3.28Å; E1481-R1496 IonicContact OE1-NH2 3.54Å; E1481-R1496 PolarHBondContact OE1-NH2 2.9Å; R1496-K1498 PolarHBondContact O-N 3.42Å; R1496-T1553 HydrophobicContact CG-CG2 4.45Å
1497V55.1Low52Low48 Ų4871.2 Ų71.229%0.29137%0.365SS..EExtended strand (participates in β ladder)trans-82.8118.2-178.3-177.70000108.4Q1552 V1554V1497-Q1552 HydrophobicContact CB-CB 4.39Å; V1497-Q1552 PolarHBondContact N-O 3.15Å; V1497-V1554 HydrophobicContact CG2-CG2 3.64Å
1498K48Very low50Low140 Ų14074.7 Ų74.761%0.60938%0.384SS*.PPolyproline II helixtrans-93.2153.2166.2-66.2168.9-175.9155.10109.2E1476 R1496E1476-K1498 WeakPolarHBondContact OE1-CE 3.41Å; E1476-K1498 IonicContact OE1-NZ 2.65Å; E1476-K1498 PolarHBondContact OE1-NZ 2.88Å; R1496-K1498 PolarHBondContact O-N 3.42Å
1499S36.3Very low47.7Very low102 Ų10278.3 Ų78.371%0.71341%0.405SS*.PPolyproline II helixtrans-77.9137.6171.849.60000111.2
1500I34.3Very low45.2Very low56 Ų5684 Ų8429%0.28743%0.43SS..PPolyproline II helixtrans-71138.9158.9-59.4172.4000107.7F1475 N1502F1475-I1500 HydrophobicContact CD1-CD1 3.8Å; F1475-I1500 HydrophobicContact CD2-CD1 3.98Å; F1475-I1500 HydrophobicContact CE1-CD1 3.67Å; F1475-I1500 HydrophobicContact CE2-CD1 3.85Å; F1475-I1500 HydrophobicContact CG-CD1 3.94Å; F1475-I1500 HydrophobicContact CG-CG1 4.4Å; F1475-I1500 HydrophobicContact CZ-CD1 3.68Å; I1500-N1502 HydrophobicContact CG2-CB 4.43Å; I1500-N1502 PolarHBondContact O-N 2.98Å
1501I30.7Very low42.4Very low106 Ų10690.7 Ų90.754%0.54446%0.463SS..  trans-92.493168.3-62.2178.5000107.2D1503 D1974I1501-D1503 WeakPolarHBondContact CG2-OD1 3.4Å; I1501-D1503 PolarHBondContact O-N 2.84Å; I1501-D1974 CarbonylContact O-C 3.58Å; I1501-D1974 VanDerWaalsContact O-C 3.28Å; I1501-D1974 WeakPolarHBondContact O-CA 3.46Å
1502N30Very low39.7Very low98 Ų9897.4 Ų97.452%0.52450%0.499SS..  trans-55.167.9160.370.5-9.5000113.5I1500 N1504 D1972 D1973I1500-N1502 HydrophobicContact CG2-CB 4.43Å; I1500-N1502 PolarHBondContact O-N 2.98Å; N1502-N1504 PolarHBondContact O-N 3.08Å; N1502-N1504 VanDerWaalsContact O-N 3.13Å; N1502-D1972 PolarHBondContact ND2-O 3.24Å; N1502-D1973 WeakPolarHBondContact CB-O 3.38Å; N1502-D1973 VanDerWaalsContact ND2-C 3.32Å; N1502-D1973 VanDerWaalsContact ND2-CA 3.34Å; N1502-D1973 WeakPolarHBondContact ND2-CA 3.22Å; N1502-D1973 PolarHBondContact ND2-N 3.1Å; N1502-D1973 PolarHBondContact ND2-O 3.48Å
1503D26.6Very low36.9Very low51 Ų51104 Ų10427%0.27353%0.534SS..  trans-63.5116.8151.6-71.620.2000106.7I1501 D1974 F1975 I1976I1501-D1503 WeakPolarHBondContact CG2-OD1 3.4Å; I1501-D1503 PolarHBondContact O-N 2.84Å; D1503-D1974 HydrophobicContact CB-CB 4.12Å; D1503-D1974 WeakPolarHBondContact O-CB 3.35Å; D1503-F1975 HydrophobicContact CB-CB 4.42Å; D1503-F1975 HydrophobicContact CB-CD2 4.04Å; D1503-F1975 VanDerWaalsContact CG-C 3.47Å; D1503-F1975 VanDerWaalsContact CG-CA 3.44Å; D1503-F1975 VanDerWaalsContact OD2-C 3.31Å; D1503-F1975 VanDerWaalsContact OD2-CA 3.31Å; D1503-F1975 WeakPolarHBondContact OD2-CA 3.36Å; D1503-F1975 VanDerWaalsContact OD2-CB 3.23Å; D1503-F1975 WeakPolarHBondContact OD2-CB 3.45Å; D1503-F1975 PolarHBondContact OD2-N 3.15Å; D1503-I1976 PolarHBondContact OD1-N 2.87Å; D1503-I1976 PolarHBondContact OD2-N 2.99Å
1504N24Very low34.3Very low115 Ų115114.4 Ų114.462%0.61558%0.575SS**  -139102.1117.6-108-89.1000108.1N1502N1502-N1504 PolarHBondContact O-N 3.08Å; N1502-N1504 VanDerWaalsContact O-N 3.13Å
1505K23.3Very low31.7Very low161 Ų161119.7 Ų119.770%0.761%0.607SS**  trans69128.6143.7-68.8-179.3-177.2174.50120.4
1506D23.4Very low29.4Very low141 Ų141127.3 Ų127.375%0.75464%0.643SS**  trans73.7161135.6-55.9-27000119.7
1507D23.8Very low27.4Very low141 Ų141128.1 Ų128.175%0.75466%0.655SS**  trans62.985.6168-67.6-23.7000120.9
1508N21.2Very low25.9Very low144 Ų144132 Ų13277%0.7767%0.674SS**  22.2117108.4-61.3-66.2000117.4
1509S24Very low24.8Very low98 Ų98132.1 Ų132.169%0.68568%0.681SS**  15315598.163.80000115.5
1510K23.1Very low24.4Very low179 Ų179136.5 Ų136.578%0.77869%0.691SS**  trans66.4114.4153.2-70.6157-175.2167.60119.7
1511E21.1Very low24Very low175 Ų175143.4 Ų143.482%0.81872%0.719SS**  3.3131.1125.3-52.8172.212600117.2
1512N23.8Very low24Very low151 Ų151142.4 Ų142.481%0.80773%0.727SS**  -163.1157.8115.6-110.5-69.5000113.5
1513N20.3Very low23.8Very low137 Ų137146.8 Ų146.873%0.73374%0.744SS**  trans-71.6156.2167.3-57.5-79.8000110.1
1514Y24.2Very low24Very low227 Ų227152.6 Ų152.689%0.8976%0.763SS**  -163.9144.7120.8-105.6-67.6000111.8
1515T20.3Very low24Very low118 Ų118159.2 Ų159.272%0.72478%0.78SS**  trans-90.7171.417244.60000111.9
1516E21.6Very low24.3Very low167 Ų167159.9 Ų159.978%0.7878%0.783SS**  trans95.9153.9156.3-49.3-154.1128.500120.5
1517L21.3Very low24.7Very low135 Ų135158.2 Ų158.271%0.70778%0.779SS**  trans68.489.9154.9-68.6160.4000120.5
1518N22.1Very low24.9Very low129 Ų129161.5 Ų161.569%0.6979%0.787SS**  73.2131.6118-73.2-7.3000122.6
1519N24.7Very low25.7Very low143 Ų143159 Ų15977%0.76577%0.773SS**  trans33.695.1130.3-56.9-29.6000119.1
1520E28.2Very low26.1Very low195 Ų195159.2 Ų159.291%0.91177%0.772SS**  trans-153.3153.9137.3-124.3166.3-14400113
1521K27.2Very low26.8Very low200 Ų200156.2 Ų156.287%0.8777%0.765SS**  trans-89.7113.9-167.3-64.7170.7-176.7168.30110.9E1523K1521-E1523 PolarHBondContact O-N 3.36Å
1522A29Very low28.1Very low86 Ų86152.2 Ų152.271%0.71175%0.748SS**  trans-77.6109.217800000112.2
1523E25.8Very low29.2Very low190 Ų190147.6 Ų147.689%0.88872%0.723SS**  trans-82.3127.8169.5-65-164.6144.100111.5K1521 R1525K1521-E1523 PolarHBondContact O-N 3.36Å; E1523-R1525 PolarHBondContact O-N 2.9Å
1524Y31.4Very low30.5Very low173 Ų173144.9 Ų144.968%0.67870%0.703SS**  trans-82.6111.9178.7-77.8-99.8000111.6K1526Y1524-K1526 PolarHBondContact O-N 2.81Å
1525R25.4Very low31.6Very low254 Ų254139.1 Ų139.196%0.95868%0.68SS**  trans-69.6109162.7-91-170.7173.2-173.30.4110E1523E1523-R1525 PolarHBondContact O-N 2.9Å
1526K28Very low32.8Very low175 Ų175136 Ų13676%0.76166%0.662SS**  trans-80.1130.6179.9-166.9175.8-174.21760111.1Y1524Y1524-K1526 PolarHBondContact O-N 2.81Å
1527P33Very low33.7Very low105 Ų105131.4 Ų131.468%0.68265%0.648SS**  trans-63.7141.7175.425.6-33.4000111.3L1529P1527-L1529 PolarHBondContact O-N 3.18Å
1528K28.2Very low34.1Very low210 Ų210132.3 Ų132.391%0.91365%0.652SS**  trans-8569.6-171.4-70.7-176.1176.91780112.9
1529L37.4Very low34.6Very low92 Ų92135.2 Ų135.248%0.48265%0.654SS.*  trans-114.5133.9160.3-72.1175.1000110.1M1471 P1527 N1531M1471-L1529 HydrophobicContact SD-CD2 3.74Å; P1527-L1529 PolarHBondContact O-N 3.18Å; L1529-N1531 PolarHBondContact O-N 2.54Å
1530P31.7Very low34.9Very low103 Ų103136.8 Ų136.867%0.66966%0.656SS**  trans-71.4114.8-174.326.8-32.8000112.5I1532P1530-I1532 PolarHBondContact O-N 3.04Å
1531N37.4Very low34.9Very low116 Ų116136.5 Ų136.562%0.6265%0.652SS**SBendtrans71.3-10.3157.2-69.9-49.5000122L1529 R1643L1529-N1531 PolarHBondContact O-N 2.54Å; N1531-R1643 PolarHBondContact OD1-NH2 3.02Å
1532I48.4Very low35.1Very low90 Ų90134 Ų13446%0.46265%0.649SS.*  trans-100.3-25.4-161.4-66.5174.1000117.4P1530P1530-I1532 PolarHBondContact O-N 3.04Å
1533N46.8Very low35.4Very low55 Ų55137.2 Ų137.229%0.29465%0.653SS.*EExtended strand (participates in β ladder)trans-105.3146.9-170.3-66.5-7.1000114.6Y1535N1533-Y1535 HydrophobicContact CB-CE2 4.01Å
1534Y49.5Very low35.6Very low79 Ų79134.7 Ų134.731%0.3165%0.646SS.*EExtended strand (participates in β ladder)trans-136.6136.1171.3-164.2-87.7000112.1T1536 S1574 Y1637 G1642 R1643 F1644Y1534-T1536 HydrophobicContact CD1-CG2 4.3Å; Y1534-T1536 HydrophobicContact CE1-CG2 3.9Å; Y1534-S1574 PolarHBondContact O-N 2.82Å; Y1534-Y1637 HydrophobicContact CD1-CD1 4.3Å; Y1534-Y1637 HydrophobicContact CD1-CE1 4.03Å; Y1534-Y1637 HydrophobicContact CE1-CE1 4.25Å; Y1534-G1642 VanDerWaalsContact CB-O 3.27Å; Y1534-G1642 WeakPolarHBondContact CB-O 3.35Å; Y1534-R1643 HydrophobicContact CD2-CB 4.49Å; Y1534-F1644 HydrophobicContact CD1-CB 4Å; Y1534-F1644 HydrophobicContact CD2-CB 4.45Å; Y1534-F1644 HydrophobicContact CE1-CB 3.37Å; Y1534-F1644 HydrophobicContact CE1-CG 4.36Å; Y1534-F1644 HydrophobicContact CE2-CB 3.89Å; Y1534-F1644 WeakPolarHBondContact OH-CB 3.42Å
1535Y46.4Very low36Very low106 Ų106133.7 Ų133.742%0.41666%0.658SS.*  trans-131148.2-178.6-61.1-83.9000110.2N1533N1533-Y1535 HydrophobicContact CB-CE2 4.01Å
1536T44.5Very low36.6Very low54 Ų54126.3 Ų126.333%0.33165%0.646SS.*  trans-1133.2-17042.90000115.1Y1534 L1538 S1574 Y1637Y1534-T1536 HydrophobicContact CD1-CG2 4.3Å; Y1534-T1536 HydrophobicContact CE1-CG2 3.9Å; T1536-L1538 PolarHBondContact O-N 2.87Å; T1536-S1574 PolarHBondContact OG1-O 2.61Å; T1536-S1574 VanDerWaalsContact OG1-O 3.11Å; T1536-Y1637 HydrophobicContact CG2-CE1 4.21Å
1537S40.5Very low36.6Very low69 Ų69123.9 Ų123.948%0.48364%0.641SS.*PPolyproline II helixtrans-75.3117.8-174.655.50000113.7
1538L31.5Very low36.6Very low154 Ų154125.6 Ų125.681%0.80664%0.641SS**PPolyproline II helixtrans-72.4138.7144.4-90.782.8000108T1536T1536-L1538 PolarHBondContact O-N 2.87Å
1539R31.5Very low37Very low191 Ų191118.6 Ų118.672%0.72163%0.629SS**PPolyproline II helixtrans-98.9116.6163-149.5178.4-168.4-168.31.1107.3
1540E31.4Very low37.2Very low175 Ų175123.5 Ų123.582%0.81864%0.643SS**PPolyproline II helixtrans-70140.6170.5-63.2-172.1150.600108.8
1541K27.2Very low38.1Very low190 Ų190124.6 Ų124.683%0.82664%0.643SS**  trans-82112.7168.4-83.6-171.9173.9-174.30107.9
1542N32.2Very low39.1Very low148 Ų148122 Ų12279%0.79163%0.627SS**  trans-154.2157.5151.6-91.5-28.7000108
1543N35.8Very low40.1Very low152 Ų152119.1 Ų119.181%0.81361%0.614SS**  trans-97.16.1-149.6-72.4-11.6000116.4T1545N1543-T1545 PolarHBondContact O-N 2.7Å
1544D30Very low41.2Very low137 Ų137116.7 Ų116.773%0.73360%0.601SS**  trans-80.4119.3-179.7-56.9-45.5000111.1S1546D1544-S1546 PolarHBondContact O-N 2.85Å
1545T39.7Very low42.5Very low152 Ų152113 Ų11393%0.93359%0.587SS**THydrogen-bonded Turntrans-76.710.6-164.337.80000116N1543N1543-T1545 PolarHBondContact O-N 2.7Å
1546S37.9Very low43.8Very low100 Ų100108.9 Ų108.970%0.69957%0.571SS**THydrogen-bonded Turntrans-131.619.1-165.356.60000116.4D1544D1544-S1546 PolarHBondContact O-N 2.85Å
1547N28.1Very low45.5Very low123 Ų123106.4 Ų106.466%0.65856%0.555SS**  trans-130.2106.4175-83.3-80.4000113.6
1548M32.4Very low47.2Very low141 Ų141103.7 Ų103.770%0.69553%0.534SS*.PPolyproline II helixtrans-95.7156.2162.6-108.2-59.7-163.800111
1549G36.8Very low49.3Very low64 Ų6497.1 Ų97.166%0.6650%0.5SS*.PPolyproline II helixtrans-72.6139.5-16600000116.1
1550Y41.3Very low51.4Low194 Ų19488.5 Ų88.576%0.76147%0.468SS*.SBendtrans-62.2151.7179.3-68.9-98.6000115.2Q1552Y1550-Q1552 PolarHBondContact O-N 3.24Å
1551D50.3Low53Low127 Ų12783.3 Ų83.368%0.67945%0.446SS*.  trans46.250.7161.9-81-1.5000115.9T1553D1551-T1553 PolarHBondContact O-N 2.84Å
1552Q59Low54.6Low61 Ų6176.1 Ų76.129%0.28542%0.417SS..EExtended strand (participates in β ladder)trans-73.5114170.3-174.2173.713.300110.7V1497 Y1550 S1574V1497-Q1552 HydrophobicContact CB-CB 4.39Å; V1497-Q1552 PolarHBondContact N-O 3.15Å; Y1550-Q1552 PolarHBondContact O-N 3.24Å; Q1552-S1574 WeakPolarHBondContact CG-OG 3.32Å; Q1552-S1574 PolarHBondContact NE2-OG 3.3Å
1553T69.1Low55.8Low29 Ų2978.5 Ų78.518%0.17842%0.42CS..EExtended strand (participates in β ladder)trans-93.8144.1172.165.20000110.9R1496 D1551 S1574 I1575R1496-T1553 HydrophobicContact CG-CG2 4.45Å; D1551-T1553 PolarHBondContact O-N 2.84Å; T1553-S1574 VanDerWaalsContact O-CA 3.29Å; T1553-S1574 WeakPolarHBondContact O-CA 3.41Å; T1553-S1574 PolarHBondContact O-OG 3.14Å; T1553-I1575 PolarHBondContact N-O 2.94Å; T1553-I1575 VanDerWaalsContact N-O 3.16Å; T1553-I1575 PolarHBondContact O-N 2.88Å; T1553-I1575 VanDerWaalsContact O-N 3.12Å; T1553-I1575 WeakPolarHBondContact OG1-CG1 3.42Å; T1553-I1575 PolarHBondContact OG1-O 3.46Å
1554V69.9Low56.4Low5 Ų577.6 Ų77.63%0.0341%0.414CS..EExtended strand (participates in β ladder)trans-127.1121.9178.9176.80000109.2I1474 V1494 Y1495 V1497 Q1572 I1573I1474-V1554 HydrophobicContact CD1-CG1 3.93Å; V1494-V1554 WeakPolarHBondContact CA-O 3.18Å; Y1495-V1554 PolarHBondContact N-O 2.81Å; Y1495-V1554 PolarHBondContact O-N 2.88Å; V1497-V1554 HydrophobicContact CG2-CG2 3.64Å; V1554-Q1572 HydrophobicContact CG1-CG 3.46Å; V1554-Q1572 VanDerWaalsContact CG1-CG 3.46Å; V1554-I1573 WeakPolarHBondContact CA-O 3.49Å
1555I77.2Confident57.1Low2 Ų275 Ų751%0.0142%0.419CS..EExtended strand (participates in β ladder)trans-106.9117.1-179.7-55.4165.3000108.1A1492 V1494 Q1572 I1573 I1575 I1580 I1589A1492-I1555 HydrophobicContact CB-CG2 4.06Å; V1494-I1555 HydrophobicContact CG1-CG1 4.4Å; V1494-I1555 HydrophobicContact CG2-CG1 4.41Å; I1555-Q1572 WeakPolarHBondContact O-CA 3.09Å; I1555-I1573 PolarHBondContact N-O 2.82Å; I1555-I1573 PolarHBondContact O-N 3.22Å; I1555-I1575 HydrophobicContact CD1-CD1 3.67Å; I1555-I1575 HydrophobicContact CD1-CG1 4.43Å; I1555-I1580 HydrophobicContact CD1-CD1 3.7Å; I1555-I1580 HydrophobicContact CD1-CG1 3.69Å; I1555-I1580 HydrophobicContact CG1-CD1 4.2Å; I1555-I1580 HydrophobicContact CG2-CD1 4.47Å; I1555-I1589 HydrophobicContact CG2-CD1 3.95Å
1556R74.8Confident57.7Low19 Ų1969.7 Ų69.77%0.07240%0.395CS..EExtended strand (participates in β ladder)trans-98.5122.3168.6-72.8-178.2170.2166.5-7.5109.1I1474 A1492 L1493 Y1495 Y1558 L1569 Q1572I1474-R1556 VanDerWaalsContact CD1-NH2 3.34Å; A1492-R1556 WeakPolarHBondContact CA-O 3.3Å; L1493-R1556 PolarHBondContact N-O 3.04Å; L1493-R1556 PolarHBondContact O-N 2.85Å; Y1495-R1556 HydrophobicContact CD2-CG 4.46Å; Y1495-R1556 HydrophobicContact CE2-CB 4.14Å; Y1495-R1556 HydrophobicContact CE2-CG 4.06Å; R1556-Y1558 HydrophobicContact CB-CD2 4.44Å; R1556-Y1558 HydrophobicContact CB-CE2 3.62Å; R1556-L1569 HydrophobicContact CB-CD1 3.79Å; R1556-L1569 HydrophobicContact CG-CD1 4.21Å; R1556-Q1572 HydrophobicContact CG-CG 4.11Å
1557L79.2Confident58.5Low1 Ų166.8 Ų66.81%0.00537%0.373CS..EExtended strand (participates in β ladder)trans-103118.8-178-177.368.9000111.2R1490 A1492 R1570 C1571 M1583 S1639R1490-L1557 HydrophobicContact CB-CD1 4.23Å; A1492-L1557 HydrophobicContact CB-CD1 4.29Å; L1557-R1570 PolarHBondContact O-N 3.17Å; L1557-C1571 PolarHBondContact N-O 3.27Å; L1557-M1583 HydrophobicContact CD1-CE 4.44Å; L1557-M1583 HydrophobicContact CD1-SD 3.44Å; L1557-M1583 WeakPolarHBondContact CD1-SD 3.16Å; L1557-S1639 WeakPolarHBondContact CD2-O 3.41Å
1558Y76.2Confident60.2Low12 Ų1261.2 Ų61.25%0.04735%0.345CS..EExtended strand (participates in β ladder)trans-107.1148.9179.2-62.6-98.4000112R1490 L1491 L1493 R1556 T1567 G1568 L1569 F1951R1490-Y1558 VanDerWaalsContact CA-O 3.23Å; R1490-Y1558 WeakPolarHBondContact CA-O 3.47Å; R1490-Y1558 VanDerWaalsContact CB-O 3.29Å; R1490-Y1558 WeakPolarHBondContact CB-O 3.29Å; L1491-Y1558 PolarHBondContact N-O 3.16Å; L1491-Y1558 VanDerWaalsContact N-O 3.08Å; L1491-Y1558 PolarHBondContact O-N 3.07Å; L1493-Y1558 HydrophobicContact CB-CE2 4.15Å; L1493-Y1558 HydrophobicContact CD1-CD2 4.13Å; L1493-Y1558 HydrophobicContact CD1-CE2 3.63Å; L1493-Y1558 HydrophobicContact CG-CD2 4.13Å; L1493-Y1558 HydrophobicContact CG-CE2 3.95Å; R1556-Y1558 HydrophobicContact CB-CD2 4.44Å; R1556-Y1558 HydrophobicContact CB-CE2 3.62Å; Y1558-T1567 WeakPolarHBondContact CD1-O 3.32Å; Y1558-G1568 CarbonylContact C-O 3.56Å; Y1558-G1568 WeakPolarHBondContact CA-O 2.9Å; Y1558-L1569 HydrophobicContact CD1-CB 4.15Å; Y1558-L1569 HydrophobicContact CD1-CD1 4.4Å; Y1558-L1569 HydrophobicContact CD2-CD1 4.4Å; Y1558-L1569 HydrophobicContact CE1-CB 3.97Å; Y1558-L1569 HydrophobicContact CE1-CD1 4.06Å; Y1558-L1569 HydrophobicContact CE2-CD1 4.03Å; Y1558-F1951 HydrophobicContact CD1-CE2 4.32Å
1559D76.5Confident61.7Low16 Ų1657.6 Ų57.69%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-114104.9-179.9-162.63.7000110.6R1490 D1561 N1562 G1568 R1570R1490-D1559 IonicContact NE-OD1 2.82Å; D1559-D1561 PolarHBondContact O-N 3.18Å; D1559-N1562 HydrophobicContact CB-CB 4.49Å; D1559-N1562 WeakPolarHBondContact O-CB 3.48Å; D1559-N1562 PolarHBondContact O-N 2.97Å; D1559-G1568 PolarHBondContact N-O 3.48Å; D1559-R1570 HydrophobicContact CB-CG 3.83Å; D1559-R1570 IonicContact OD2-CZ 3.51Å; D1559-R1570 IonicContact OD2-NE 2.68Å; D1559-R1570 PolarHBondContact OD2-NE 3.01Å; D1559-R1570 IonicContact OD2-NH2 3.42Å; D1559-R1570 PolarHBondContact OD2-NH2 3.09Å
1560L73.8Confident63.2Low10 Ų1059.3 Ų59.35%0.05231%0.314CS..THydrogen-bonded Turntrans-75.7-14.1-176.1-56171.9000112.4L1484 G1488 K1489 L1491 N1562 F1951L1484-L1560 HydrophobicContact CD1-CD1 3.82Å; G1488-L1560 WeakPolarHBondContact O-CD1 3.38Å; K1489-L1560 WeakPolarHBondContact O-CB 3.29Å; K1489-L1560 PolarHBondContact O-N 2.81Å; L1491-L1560 HydrophobicContact CB-CD1 4.32Å; L1491-L1560 HydrophobicContact CB-CD2 4.44Å; L1491-L1560 HydrophobicContact CB-CG 4.48Å; L1560-N1562 VanDerWaalsContact C-N 3.29Å; L1560-F1951 HydrophobicContact CD2-CB 3.94Å; L1560-F1951 HydrophobicContact CD2-CD1 3.84Å; L1560-F1951 HydrophobicContact CD2-CD2 3.57Å; L1560-F1951 HydrophobicContact CD2-CE1 4.21Å; L1560-F1951 HydrophobicContact CD2-CE2 3.96Å; L1560-F1951 HydrophobicContact CD2-CG 3.51Å; L1560-F1951 HydrophobicContact CD2-CZ 4.26Å
1561D66.7Low64.4Low66 Ų6650.1 Ų50.135%0.35328%0.278SS..THydrogen-bonded Turntrans-84.50172.7-112.729.9000112.4K1489 D1559 K1563K1489-D1561 IonicContact NZ-OD1 3.55Å; K1489-D1561 PolarHBondContact NZ-OD1 3.36Å; K1489-D1561 IonicContact NZ-OD2 2.69Å; K1489-D1561 PolarHBondContact NZ-OD2 3.02Å; D1559-D1561 PolarHBondContact O-N 3.18Å; D1561-K1563 PolarHBondContact O-N 2.74Å
1562N60.4Low65.4Low39 Ų3945 Ų4521%0.20925%0.25CC..  trans-65.8115.9-173.9-179.137.6000112.9D1559 L1560 I1564 G1566D1559-N1562 HydrophobicContact CB-CB 4.49Å; D1559-N1562 WeakPolarHBondContact O-CB 3.48Å; D1559-N1562 PolarHBondContact O-N 2.97Å; L1560-N1562 VanDerWaalsContact C-N 3.29Å; N1562-I1564 PolarHBondContact ND2-O 2.6Å; N1562-I1564 PolarHBondContact OD1-N 3Å; N1562-I1564 VanDerWaalsContact OD1-N 3.1Å; N1562-I1564 PolarHBondContact OD1-O 2.85Å; N1562-G1566 PolarHBondContact ND2-O 2.92Å
1563K57.6Low66.1Low199 Ų19942.1 Ų42.187%0.86524%0.237SC*.  trans-97.3-5.8176-61.2-174.4-179.3-177.60114.3D1561D1561-K1563 PolarHBondContact O-N 2.74Å
1564I48.4Very low66Low132 Ų13240.8 Ų40.868%0.67723%0.229SC*.SBendtrans-93128.4-178.7-55.7172.1000107.2N1562 G1566N1562-I1564 PolarHBondContact ND2-O 2.6Å; N1562-I1564 PolarHBondContact OD1-N 3Å; N1562-I1564 VanDerWaalsContact OD1-N 3.1Å; N1562-I1564 PolarHBondContact OD1-O 2.85Å; I1564-G1566 PolarHBondContact O-N 2.92Å
1565G44.9Very low66Low83 Ų8340.7 Ų40.786%0.85623%0.228SC*.SBendtrans-51.2126.8-178.500000112.2
1566G50.9Low65.3Low40 Ų4043.6 Ų43.641%0.41224%0.243SC..SBendtrans136.1168.2-172.100000112.8N1562 I1564 G1568N1562-G1566 PolarHBondContact ND2-O 2.92Å; I1564-G1566 PolarHBondContact O-N 2.92Å; G1566-G1568 PolarHBondContact O-N 2.95Å
1567T55Low64.7Low40 Ų4045.5 Ų45.525%0.24527%0.268CS..  trans-65.7-7.2-162.770.90000116.5F1469 Y1558 L1569F1469-T1567 HydrophobicContact CD2-CG2 3.67Å; F1469-T1567 HydrophobicContact CE2-CG2 3.27Å; F1469-T1567 HydrophobicContact CG-CG2 4.5Å; F1469-T1567 HydrophobicContact CZ-CG2 3.79Å; Y1558-T1567 WeakPolarHBondContact CD1-O 3.32Å; T1567-L1569 PolarHBondContact O-N 3.45Å; T1567-L1569 WeakPolarHBondContact OG1-CB 3.22Å; T1567-L1569 PolarHBondContact OG1-N 3.08Å
1568G64.2Low64.3Low6 Ų646.5 Ų46.56%0.06227%0.273CS..  trans70.7-2.3-171.600000115Y1558 D1559 G1566 R1570Y1558-G1568 CarbonylContact C-O 3.56Å; Y1558-G1568 WeakPolarHBondContact CA-O 2.9Å; D1559-G1568 PolarHBondContact N-O 3.48Å; G1566-G1568 PolarHBondContact O-N 2.95Å; G1568-R1570 PolarHBondContact O-N 3.3Å
1569L64.6Low64.1Low64 Ų6451.4 Ų51.434%0.33530%0.295SS..EExtended strand (participates in β ladder)trans-63122.4176.5-177.566.4000110.4R1556 Y1558 T1567R1556-L1569 HydrophobicContact CB-CD1 3.79Å; R1556-L1569 HydrophobicContact CG-CD1 4.21Å; Y1558-L1569 HydrophobicContact CD1-CB 4.15Å; Y1558-L1569 HydrophobicContact CD1-CD1 4.4Å; Y1558-L1569 HydrophobicContact CD2-CD1 4.4Å; Y1558-L1569 HydrophobicContact CE1-CB 3.97Å; Y1558-L1569 HydrophobicContact CE1-CD1 4.06Å; Y1558-L1569 HydrophobicContact CE2-CD1 4.03Å; T1567-L1569 PolarHBondContact O-N 3.45Å; T1567-L1569 WeakPolarHBondContact OG1-CB 3.22Å; T1567-L1569 PolarHBondContact OG1-N 3.08Å
1570R67.4Low64.1Low101 Ų10152.8 Ų52.838%0.38130%0.301SS..EExtended strand (participates in β ladder)trans-97.1-42.7-179.5-66.9-59.4-162.9179-1.3113.1L1557 D1559 G1568L1557-R1570 PolarHBondContact O-N 3.17Å; D1559-R1570 HydrophobicContact CB-CG 3.83Å; D1559-R1570 IonicContact OD2-CZ 3.51Å; D1559-R1570 IonicContact OD2-NE 2.68Å; D1559-R1570 PolarHBondContact OD2-NE 3.01Å; D1559-R1570 IonicContact OD2-NH2 3.42Å; D1559-R1570 PolarHBondContact OD2-NH2 3.09Å; G1568-R1570 PolarHBondContact O-N 3.3Å
1571C66.9Low64.2Low0 Ų055.5 Ų55.50%031%0.313CS..EExtended strand (participates in β ladder)trans-160.8161.9178.658.80000112.6L1557 G1642L1557-C1571 PolarHBondContact N-O 3.27Å; C1571-G1642 VanDerWaalsContact CB-N 3.31Å
1572Q71.1Confident64.8Low19 Ų1955.3 Ų55.39%0.08931%0.31CS..EExtended strand (participates in β ladder)trans-120.5124.7167.9-171.8169.9-67.700109V1554 I1555 R1556V1554-Q1572 HydrophobicContact CG1-CG 3.46Å; V1554-Q1572 VanDerWaalsContact CG1-CG 3.46Å; I1555-Q1572 WeakPolarHBondContact O-CA 3.09Å; R1556-Q1572 HydrophobicContact CG-CG 4.11Å
1573I73.3Confident65.6Low1 Ų154.6 Ų54.61%0.00531%0.306CS..EExtended strand (participates in β ladder)trans-119.8137.3-178.2-60.3156.7000107.9V1554 I1555 I1575 I1589 Y1637 G1642V1554-I1573 WeakPolarHBondContact CA-O 3.49Å; I1555-I1573 PolarHBondContact N-O 2.82Å; I1555-I1573 PolarHBondContact O-N 3.22Å; I1573-I1575 HydrophobicContact CG2-CG2 3.94Å; I1573-I1589 HydrophobicContact CD1-CD1 3.78Å; I1573-I1589 HydrophobicContact CD1-CG1 4.27Å; I1573-Y1637 HydrophobicContact CD1-CG 4.46Å; I1573-Y1637 HydrophobicContact CG2-CD1 3.8Å; I1573-Y1637 HydrophobicContact CG2-CD2 4.23Å; I1573-Y1637 HydrophobicContact CG2-CE1 4.16Å; I1573-Y1637 HydrophobicContact CG2-CG 3.84Å; I1573-G1642 VanDerWaalsContact CG1-CA 3.43Å
1574S66.6Low66.5Low2 Ų245.3 Ų45.31%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-120.1129171.6-171.20000112.9Y1534 T1536 Q1552 T1553Y1534-S1574 PolarHBondContact O-N 2.82Å; T1536-S1574 PolarHBondContact OG1-O 2.61Å; T1536-S1574 VanDerWaalsContact OG1-O 3.11Å; Q1552-S1574 WeakPolarHBondContact CG-OG 3.32Å; Q1552-S1574 PolarHBondContact NE2-OG 3.3Å; T1553-S1574 VanDerWaalsContact O-CA 3.29Å; T1553-S1574 WeakPolarHBondContact O-CA 3.41Å; T1553-S1574 PolarHBondContact O-OG 3.14Å
1575I70.4Confident67.6Low2 Ų241 Ų411%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-130.2144.9-175.765.2-173.6000111T1553 I1555 I1573 E1578 T1591 Y1637T1553-I1575 PolarHBondContact N-O 2.94Å; T1553-I1575 VanDerWaalsContact N-O 3.16Å; T1553-I1575 PolarHBondContact O-N 2.88Å; T1553-I1575 VanDerWaalsContact O-N 3.12Å; T1553-I1575 WeakPolarHBondContact OG1-CG1 3.42Å; T1553-I1575 PolarHBondContact OG1-O 3.46Å; I1555-I1575 HydrophobicContact CD1-CD1 3.67Å; I1555-I1575 HydrophobicContact CD1-CG1 4.43Å; I1573-I1575 HydrophobicContact CG2-CG2 3.94Å; I1575-E1578 HydrophobicContact CB-CB 4.3Å; I1575-E1578 HydrophobicContact CB-CG 4.31Å; I1575-E1578 HydrophobicContact CD1-CB 4.22Å; I1575-E1578 WeakPolarHBondContact CD1-O 3.45Å; I1575-T1591 HydrophobicContact CD1-CG2 3.77Å; I1575-Y1637 HydrophobicContact CG2-CE1 4.39Å; I1575-Y1637 HydrophobicContact CG2-CE2 3.69Å
1576I61.8Low69Low64 Ų6442 Ų4233%0.32823%0.226SC..EExtended strand (participates in β ladder)trans-123.5112-176.6-55.3173000108.8E1578 K1593I1576-E1578 PolarHBondContact O-N 2.82Å; I1576-K1593 PolarHBondContact O-NZ 3.45Å
1577G63.2Low69.9Low58 Ų5842.3 Ų42.360%0.59822%0.215SC*.SBendtrans67.913.4-179.400000115.5
1578E70.3Confident71Confident22 Ų2240.4 Ų40.410%0.10320%0.204CC..  trans-103.9148.7166-34.6-168.8124.800109.3I1575 I1576 T1591 K1593 S1635 Y1637I1575-E1578 HydrophobicContact CB-CB 4.3Å; I1575-E1578 HydrophobicContact CB-CG 4.31Å; I1575-E1578 HydrophobicContact CD1-CB 4.22Å; I1575-E1578 WeakPolarHBondContact CD1-O 3.45Å; I1576-E1578 PolarHBondContact O-N 2.82Å; E1578-T1591 VanDerWaalsContact CD-OG1 3.32Å; E1578-T1591 PolarHBondContact OE2-OG1 2.99Å; E1578-K1593 HydrophobicContact CB-CB 4.49Å; E1578-K1593 HydrophobicContact CG-CB 4.11Å; E1578-K1593 HydrophobicContact CG-CD 4.19Å; E1578-S1635 VanDerWaalsContact OE1-CB 3.31Å; E1578-S1635 WeakPolarHBondContact OE1-CB 3.28Å; E1578-S1635 PolarHBondContact OE1-OG 2.73Å; E1578-Y1637 VanDerWaalsContact OE2-CE2 3.29Å; E1578-Y1637 WeakPolarHBondContact OE2-CE2 3.49Å; E1578-Y1637 PolarHBondContact OE2-OH 3.44Å
1579F73.1Confident71.7Confident116 Ų11640.1 Ų40.151%0.50920%0.201SC..EExtended strand (participates in β ladder)trans-115.1154.917263.8-89000111.3F1581 T1591 L1592F1579-F1581 PolarHBondContact O-N 3Å; F1579-F1581 VanDerWaalsContact O-N 3.16Å; F1579-T1591 WeakPolarHBondContact O-CA 3.06Å; F1579-T1591 VanDerWaalsContact O-CB 3.28Å; F1579-T1591 WeakPolarHBondContact O-CB 3.38Å; F1579-L1592 WeakPolarHBondContact CD1-O 3.42Å; F1579-L1592 HydrophobicContact CE1-CB 4.15Å; F1579-L1592 HydrophobicContact CE1-CD2 4.5Å; F1579-L1592 HydrophobicContact CE2-CB 4.38Å; F1579-L1592 HydrophobicContact CZ-CB 3.91Å; F1579-L1592 HydrophobicContact CZ-CD2 3.98Å; F1579-L1592 HydrophobicContact CZ-CG 4.5Å; F1579-L1592 PolarHBondContact N-O 3.25Å; F1579-L1592 PolarHBondContact O-N 2.87Å
1580I76.3Confident72.5Confident44 Ų4437.2 Ų37.223%0.22619%0.185CC..EExtended strand (participates in β ladder)trans-65.3113.8175.4-56.7175.5000108.8V1494 I1555 I1589V1494-I1580 HydrophobicContact CG2-CD1 4.09Å; I1555-I1580 HydrophobicContact CD1-CD1 3.7Å; I1555-I1580 HydrophobicContact CD1-CG1 3.69Å; I1555-I1580 HydrophobicContact CG1-CD1 4.2Å; I1555-I1580 HydrophobicContact CG2-CD1 4.47Å; I1580-I1589 HydrophobicContact CG1-CG2 4.45Å; I1580-I1589 HydrophobicContact CG2-CG2 4.12Å
1581F76Confident73.1Confident67 Ų6732.4 Ų32.429%0.29417%0.167SC..EExtended strand (participates in β ladder)trans-88-42.8175.3173.9-99.6000111.3F1579 Y1590 L1592F1579-F1581 PolarHBondContact O-N 3Å; F1579-F1581 VanDerWaalsContact O-N 3.16Å; F1581-Y1590 PolarHBondContact N-O 3.02Å; F1581-L1592 HydrophobicContact CB-CB 4.35Å
1582H78.7Confident73.6Confident63 Ų6333.9 Ų33.929%0.29218%0.175SC..EExtended strand (participates in β ladder)trans-157.5148.2176.3-169.3-115.5000111.8Y1590 I1660 D1664H1582-Y1590 PolarHBondContact N-O 3.39Å; H1582-Y1590 PolarHBondContact O-N 2.91Å; H1582-I1660 HydrophobicContact CB-CD1 4.4Å; H1582-D1664 IonicContact CE1-OD1 2.84Å; H1582-D1664 PolarHBondContact CE1-OD1 3.33Å; H1582-D1664 IonicContact ND1-OD1 2.64Å
1583M77.9Confident73.8Confident24 Ų2437 Ų3712%0.11819%0.188CC..EExtended strand (participates in β ladder)trans-115.898.7175.3-177.2164.877.800110.5R1490 A1492 L1557R1490-M1583 HydrophobicContact CB-CE 4.29Å; A1492-M1583 HydrophobicContact CB-CE 4.18Å; A1492-M1583 HydrophobicContact CB-SD 3.63Å; L1557-M1583 HydrophobicContact CD1-CE 4.44Å; L1557-M1583 HydrophobicContact CD1-SD 3.44Å; L1557-M1583 WeakPolarHBondContact CD1-SD 3.16Å
1584S75.7Confident73.4Confident3 Ų339.5 Ų39.52%0.02121%0.205CC..EExtended strand (participates in β ladder)trans-89.5132.4173.7171.20000110.4K1586 Y1587 G1588 D1664S1584-K1586 PolarHBondContact O-N 3.48Å; S1584-K1586 PolarHBondContact OG-N 3.14Å; S1584-K1586 VanDerWaalsContact OG-N 3.1Å; S1584-Y1587 PolarHBondContact OG-N 3.07Å; S1584-G1588 PolarHBondContact N-O 3Å; S1584-G1588 PolarHBondContact O-N 3.43Å; S1584-D1664 VanDerWaalsContact CB-OD2 3.27Å; S1584-D1664 WeakPolarHBondContact CB-OD2 3.35Å; S1584-D1664 VanDerWaalsContact OG-CG 3.26Å; S1584-D1664 PolarHBondContact OG-OD2 2.89Å
1585T71.4Confident72.9Confident42 Ų4242 Ų4226%0.25822%0.218SC..THydrogen-bonded Turntrans-65.1-25.917251.30000112.4D1487 R1490D1487-T1585 WeakPolarHBondContact OD2-CG2 3.27Å; R1490-T1585 HydrophobicContact CG-CG2 4.12Å; R1490-T1585 VanDerWaalsContact NH1-CA 3.31Å; R1490-T1585 PolarHBondContact NH1-O 3.15Å; R1490-T1585 PolarHBondContact NH2-O 2.75Å; R1490-T1585 VanDerWaalsContact NH2-O 3.12Å
1586K73.8Confident72Confident104 Ų10448.7 Ų48.745%0.45225%0.249SC..THydrogen-bonded Turntrans-98-44.2-170.4177.8-178.8159.9-152.80114.3S1584 N1663S1584-K1586 PolarHBondContact O-N 3.48Å; S1584-K1586 PolarHBondContact OG-N 3.14Å; S1584-K1586 VanDerWaalsContact OG-N 3.1Å; K1586-N1663 PolarHBondContact NZ-O 2.95Å
1587Y69.9Low71.4Confident46 Ų4648.6 Ų48.618%0.1826%0.257CS..THydrogen-bonded Turntrans-104.9-12.3-176-66.8-88.7000114.6S1584 Y1590 D1664 A1683 P1684S1584-Y1587 PolarHBondContact OG-N 3.07Å; Y1587-Y1590 WeakPolarHBondContact CB-OH 3.29Å; Y1587-D1664 HydrophobicContact CD2-CB 3.29Å; Y1587-D1664 HydrophobicContact CE2-CB 3.44Å; Y1587-D1664 VanDerWaalsContact CE2-CB 3.44Å; Y1587-D1664 WeakPolarHBondContact CE2-O 3.34Å; Y1587-D1664 HydrophobicContact CG-CB 4.47Å; Y1587-A1683 HydrophobicContact CD1-CB 4.26Å; Y1587-A1683 HydrophobicContact CE1-CB 3.64Å; Y1587-A1683 HydrophobicContact CE2-CB 4.47Å; Y1587-P1684 HydrophobicContact CD1-CB 3.94Å; Y1587-P1684 HydrophobicContact CE1-CB 4.13Å
1588G77.7Confident70.6Confident0 Ų047.5 Ų47.50%024%0.241CC..EExtended strand (participates in β ladder)trans113.1-165.4177.900000114.7S1584 Y1637S1584-G1588 PolarHBondContact N-O 3Å; S1584-G1588 PolarHBondContact O-N 3.43Å; G1588-Y1637 CarbonylContact C-O 3.55Å; G1588-Y1637 WeakPolarHBondContact CA-O 3.27Å
1589I80.5Confident69.5Low1 Ų151.1 Ų51.11%0.00526%0.261CS..EExtended strand (participates in β ladder)trans-90.8127.1174.3-51.7-170.3000107.9I1555 I1573 I1580 T1591 Y1637I1555-I1589 HydrophobicContact CG2-CD1 3.95Å; I1573-I1589 HydrophobicContact CD1-CD1 3.78Å; I1573-I1589 HydrophobicContact CD1-CG1 4.27Å; I1580-I1589 HydrophobicContact CG1-CG2 4.45Å; I1580-I1589 HydrophobicContact CG2-CG2 4.12Å; I1589-T1591 HydrophobicContact CG2-CG2 4.25Å; I1589-Y1637 PolarHBondContact N-O 3.3Å; I1589-Y1637 PolarHBondContact O-N 2.85Å
1590Y81.1Confident68.1Low2 Ų250.9 Ų50.91%0.00827%0.269CS..EExtended strand (participates in β ladder)trans-101.2131.8171-70-81.8000109.2F1581 H1582 Y1587 L1634 S1635 R1636 I1660 F1686F1581-Y1590 PolarHBondContact N-O 3.02Å; H1582-Y1590 PolarHBondContact N-O 3.39Å; H1582-Y1590 PolarHBondContact O-N 2.91Å; Y1587-Y1590 WeakPolarHBondContact CB-OH 3.29Å; Y1590-L1634 HydrophobicContact CD1-CD1 4.3Å; Y1590-S1635 WeakPolarHBondContact CA-O 3.45Å; Y1590-R1636 HydrophobicContact CD1-CB 4.08Å; Y1590-R1636 HydrophobicContact CD1-CG 4.1Å; Y1590-R1636 HydrophobicContact CE1-CB 3.93Å; Y1590-R1636 HydrophobicContact CE1-CG 3.69Å; Y1590-I1660 HydrophobicContact CD2-CD1 3.59Å; Y1590-I1660 HydrophobicContact CE2-CD1 3.56Å; Y1590-I1660 HydrophobicContact CG-CD1 4.26Å; Y1590-F1686 HydrophobicContact CD1-CE2 4.31Å; Y1590-F1686 HydrophobicContact CE1-CD2 4.14Å; Y1590-F1686 AromaticContact CE1-CE2 3.47Å; Y1590-F1686 HydrophobicContact CE1-CE2 3.47Å; Y1590-F1686 VanDerWaalsContact CE1-CE2 3.47Å; Y1590-F1686 HydrophobicContact CE1-CZ 4.38Å; Y1590-F1686 AromaticContact CZ-CE2 3.63Å; Y1590-F1686 WeakPolarHBondContact OH-CE2 3.32Å
1591T80.2Confident66.3Low1 Ų157.9 Ų57.91%0.00630%0.298CS..EExtended strand (participates in β ladder)trans-125.1152.8176.159.50000110I1575 E1578 F1579 I1589 S1635 Y1637I1575-T1591 HydrophobicContact CD1-CG2 3.77Å; E1578-T1591 VanDerWaalsContact CD-OG1 3.32Å; E1578-T1591 PolarHBondContact OE2-OG1 2.99Å; F1579-T1591 WeakPolarHBondContact O-CA 3.06Å; F1579-T1591 VanDerWaalsContact O-CB 3.28Å; F1579-T1591 WeakPolarHBondContact O-CB 3.38Å; I1589-T1591 HydrophobicContact CG2-CG2 4.25Å; T1591-S1635 PolarHBondContact N-O 3.14Å; T1591-S1635 PolarHBondContact O-N 2.86Å; T1591-S1635 VanDerWaalsContact OG1-CB 3.31Å; T1591-S1635 WeakPolarHBondContact OG1-CB 3.42Å; T1591-Y1637 HydrophobicContact CG2-CD2 4.24Å; T1591-Y1637 HydrophobicContact CG2-CE2 3.99Å; T1591-Y1637 WeakPolarHBondContact OG1-CE2 3.47Å
1592L77.6Confident64.2Low31 Ų3162 Ų6216%0.16232%0.322CS..EExtended strand (participates in β ladder)trans-121.2136.2179.8-165.277000110.1F1579 F1581 L1634F1579-L1592 WeakPolarHBondContact CD1-O 3.42Å; F1579-L1592 HydrophobicContact CE1-CB 4.15Å; F1579-L1592 HydrophobicContact CE1-CD2 4.5Å; F1579-L1592 HydrophobicContact CE2-CB 4.38Å; F1579-L1592 HydrophobicContact CZ-CB 3.91Å; F1579-L1592 HydrophobicContact CZ-CD2 3.98Å; F1579-L1592 HydrophobicContact CZ-CG 4.5Å; F1579-L1592 PolarHBondContact N-O 3.25Å; F1579-L1592 PolarHBondContact O-N 2.87Å; F1581-L1592 HydrophobicContact CB-CB 4.35Å; L1592-L1634 HydrophobicContact CD1-CB 4.31Å; L1592-L1634 HydrophobicContact CD1-CD1 4.29Å
1593K74.4Confident61.7Low83 Ų8363.5 Ų63.536%0.36134%0.34SS..EExtended strand (participates in β ladder)trans-131124172.5-176.8170.5-176.1162.50110.2I1576 E1578 L1633I1576-K1593 PolarHBondContact O-NZ 3.45Å; E1578-K1593 HydrophobicContact CB-CB 4.49Å; E1578-K1593 HydrophobicContact CG-CB 4.11Å; E1578-K1593 HydrophobicContact CG-CD 4.19Å; K1593-L1633 HydrophobicContact CB-CB 4.34Å; K1593-L1633 PolarHBondContact N-O 2.91Å; K1593-L1633 PolarHBondContact O-N 2.83Å
1594P64.9Low59.2Low54 Ų5467.9 Ų67.935%0.35137%0.372SS..EExtended strand (participates in β ladder)trans-72.3128.2170.530.7-32.4000109.4H1596P1594-H1596 PolarHBondContact O-N 2.89Å
1595D56.7Low56.9Low56 Ų5672.3 Ų72.330%0.29940%0.395SS..EExtended strand (participates in β ladder)trans-99.387.5177.3-172.50.6000110.1A1597 Q1631D1595-A1597 PolarHBondContact O-N 2.59Å; D1595-A1597 WeakPolarHBondContact OD1-CB 3.35Å; D1595-A1597 PolarHBondContact OD1-N 3.3Å; D1595-Q1631 PolarHBondContact N-O 2.99Å
1596H52Low55.1Low142 Ų14275.7 Ų75.766%0.65742%0.416SS*.G310 helixtrans-74.6-9177.3-60.6-57.1000113.4P1594P1594-H1596 PolarHBondContact O-N 2.89Å
1597A48.2Very low53.2Low61 Ų6176.9 Ų76.950%0.50443%0.428SS..G310 helixtrans-83.9-9.2-173.500000113.9D1595 N1599 T1600D1595-A1597 PolarHBondContact O-N 2.59Å; D1595-A1597 WeakPolarHBondContact OD1-CB 3.35Å; D1595-A1597 PolarHBondContact OD1-N 3.3Å; A1597-N1599 PolarHBondContact O-N 3.48Å; A1597-N1599 VanDerWaalsContact O-N 3.09Å; A1597-T1600 PolarHBondContact O-N 2.97Å; A1597-T1600 PolarHBondContact O-OG1 3.37Å
1598S47.1Very low51.1Low35 Ų3580.8 Ų80.825%0.24545%0.451CS..G310 helixtrans-57.9-24.9-179.9590000114.4P1630S1598-P1630 WeakPolarHBondContact OG-CA 3.24Å
1599N47Very low48.9Very low99 Ų9988.6 Ų88.653%0.52949%0.487SS..G310 helixtrans-83.7-17.7-170.6-68.314.7000114.3A1597A1597-N1599 PolarHBondContact O-N 3.48Å; A1597-N1599 VanDerWaalsContact O-N 3.09Å
1600T43Very low46.2Very low111 Ų11197.9 Ų97.968%0.68153%0.527SS*.SBendtrans-92.9-16.3-167.855.40000115A1597A1597-T1600 PolarHBondContact O-N 2.97Å; A1597-T1600 PolarHBondContact O-OG1 3.37Å
1601K37.8Very low43.4Very low191 Ų191103.8 Ų103.883%0.8356%0.559SS**SBendtrans-89.82.2-168.9-83.9-171.1172.8179.90116.8
1602L32Very low40.7Very low154 Ų154114 Ų11481%0.80660%0.599SS**SBendtrans-150.150.7-176.7-111.2155000114.8
1603S27Very low38.3Very low94 Ų94118.1 Ų118.166%0.65763%0.63SS**  trans-140.467.5163.268.30000112.2L1605S1603-L1605 PolarHBondContact O-N 3.17Å
1604S25.5Very low35.8Very low115 Ų115120.2 Ų120.280%0.80465%0.65SS**  trans-68.877.3163.6550000109.6T1606S1604-T1606 VanDerWaalsContact C-N 3.35Å; S1604-T1606 PolarHBondContact O-N 3.41Å
1605L27.2Very low33.8Very low96 Ų96126.3 Ų126.350%0.50367%0.671SS.*  trans-77.884.8-179.3-169.873.3000110.5S1603 L1608S1603-L1605 PolarHBondContact O-N 3.17Å; L1605-L1608 HydrophobicContact CD2-CD1 4.28Å; L1605-L1608 HydrophobicContact CD2-CG 4.21Å
1606T33.8Very low32.3Very low113 Ų113129.6 Ų129.669%0.69369%0.689SS**  trans-49.3140134.150.70000108.3S1604S1604-T1606 VanDerWaalsContact C-N 3.35Å; S1604-T1606 PolarHBondContact O-N 3.41Å
1607D32.7Very low30.9Very low130 Ų130129.7 Ų129.770%0.69569%0.693SS**  trans94.727.5-174.5-46.6-37.3000117.1
1608L26Very low29.7Very low127 Ų127134.6 Ų134.667%0.66571%0.705SS**SBendtrans-105.5135.9146.6-100.2167.5000109.9L1605L1605-L1608 HydrophobicContact CD2-CD1 4.28Å; L1605-L1608 HydrophobicContact CD2-CG 4.21Å
1609H32.4Very low28.6Very low165 Ų165139.3 Ų139.376%0.76473%0.728SS**  trans5777.5176.2-63.8-75.1000117.8N1611H1609-N1611 PolarHBondContact O-N 2.85Å
1610K24.2Very low27.5Very low195 Ų195141.1 Ų141.185%0.84874%0.737SS**  trans-62.2111.2143.8-72.9-177.9176.1-179.30109.6
1611N21.2Very low26.6Very low127 Ų127141.6 Ų141.668%0.67974%0.74SS**  trans-94.9148.2143.4-87-16.1000107.9H1609H1609-N1611 PolarHBondContact O-N 2.85Å
1612Y24.8Very low26Very low215 Ų215137.3 Ų137.384%0.84373%0.734SS**  trans62.7126.1-176.6-43.5-78.8000113
1613S26.6Very low25.8Very low117 Ų117135.8 Ų135.882%0.81873%0.732SS**  cis-171.2170.649.551.90000110.8
1614T21.8Very low26.1Very low128 Ų128138.5 Ų138.579%0.78574%0.739SS**  trans-81.8126.3172.550.40000112
1615K23.2Very low26.3Very low181 Ų181141.1 Ų141.179%0.78774%0.736SS**  173.6138.6130-95.9173.5-178.5-176.70114
1616D24.6Very low26.9Very low126 Ų126144.1 Ų144.167%0.67475%0.751SS**  trans50.7113.6137.7-47.2-27.5000122.9
1617I23.2Very low27Very low144 Ų144145.6 Ų145.674%0.73875%0.754SS**  69105.5125-60.1171.2000120.2
1618Q22.4Very low27.6Very low164 Ų164144.1 Ų144.177%0.76675%0.749SS**  trans62.2124.3137.7-65.9-178.80.600123.7
1619N24.1Very low28.9Very low133 Ų133142.5 Ų142.571%0.71174%0.737SS**  trans84.7143.9133.6-66.2-8.9000123.4
1620N24.6Very low29.9Very low138 Ų138137 Ų13774%0.73872%0.716SS**  trans88.998.1149.8-67-5.5000123.3
1621T23Very low31.9Very low121 Ų121131.1 Ų131.174%0.74269%0.691SS**  65.1122.812458.60000124.2
1622S25.3Very low34.5Very low100 Ų100125.2 Ų125.270%0.69966%0.66SS**  95.512912667.40000124.1
1623T27.7Very low36.9Very low123 Ų123116.6 Ų116.676%0.75563%0.629SS**  trans82131.4144.843.60000124.2
1624N33.5Very low39.6Very low150 Ų150111.4 Ų111.480%0.80259%0.592SS**  trans75.295.5149.6-58.1-6.7000121
1625K30.7Very low42.3Very low171 Ų171105.4 Ų105.474%0.74356%0.555SS**  trans-117.4159.8145.3-73.9-173.5177-179.60108.8
1626I38.5Very low45Very low159 Ų15997.8 Ų97.882%0.81552%0.521SS*.  trans-115122.7-170.7-60.9172.5000110.4
1627D36.9Very low47.6Very low144 Ų14491.9 Ų91.977%0.7749%0.49SS*.PPolyproline II helixtrans-84.3126.9-179.5-64.5-40.9000112.9
1628V44.6Very low50.1Low98 Ų9885.1 Ų85.159%0.59446%0.456SS*.PPolyproline II helixtrans-101.7121.4172.2-179.20000109.3
1629K54.1Low52.4Low94 Ų9477.9 Ų77.941%0.40942%0.423SS..PPolyproline II helixtrans-98.6146.5-172-62.1-164.6174.7-155.60113.5E1673K1629-E1673 WeakPolarHBondContact CD-OE1 3.15Å; K1629-E1673 WeakPolarHBondContact CE-OE1 3.33Å; K1629-E1673 IonicContact NZ-OE1 2.73Å; K1629-E1673 PolarHBondContact NZ-OE1 2.82Å; K1629-E1673 IonicContact NZ-OE2 2.72Å; K1629-E1673 PolarHBondContact NZ-OE2 3.14Å
1630P52.5Low54.4Low49 Ų4976.1 Ų76.132%0.31842%0.417SS..PPolyproline II helixtrans-71.3154.9-172.928.5-36.4000114.7S1598 H1652S1598-P1630 WeakPolarHBondContact OG-CA 3.24Å; P1630-H1652 HydrophobicContact CB-CB 4.44Å; P1630-H1652 PolarHBondContact O-N 2.96Å; P1630-H1652 VanDerWaalsContact O-N 3.1Å
1631Q67.4Low56.4Low71 Ų7171.5 Ų71.533%0.33239%0.393SS..EExtended strand (participates in β ladder)trans-131.2165.7-170.1-56.3-173.924.200112.4D1595 F1649 L1650D1595-Q1631 PolarHBondContact N-O 2.99Å; Q1631-F1649 HydrophobicContact CB-CD1 4.38Å; Q1631-L1650 CarbonylContact C-O 3.52Å; Q1631-L1650 VanDerWaalsContact CA-O 3.32Å; Q1631-L1650 WeakPolarHBondContact CA-O 3.5Å
1632A74.4Confident58.5Low3 Ų365.7 Ų65.73%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-132.2145.2175.400000109.8F1649 L1650A1632-F1649 WeakPolarHBondContact O-CA 3.43Å; A1632-L1650 PolarHBondContact N-O 3.46Å; A1632-L1650 PolarHBondContact O-N 3.08Å
1633L76.8Confident60.5Low35 Ų3566.5 Ų66.518%0.18335%0.345CS..EExtended strand (participates in β ladder)trans-100.4121.4-177.7-167.973.8000110.1K1593 Y1647 F1649K1593-L1633 HydrophobicContact CB-CB 4.34Å; K1593-L1633 PolarHBondContact N-O 2.91Å; K1593-L1633 PolarHBondContact O-N 2.83Å; L1633-Y1647 HydrophobicContact CD1-CD2 3.56Å; L1633-Y1647 HydrophobicContact CD1-CE2 4.48Å; L1633-Y1647 HydrophobicContact CD1-CG 3.96Å; L1633-F1649 HydrophobicContact CD1-CD1 4.09Å; L1633-F1649 HydrophobicContact CD1-CE1 3.88Å; L1633-F1649 HydrophobicContact CD1-CZ 4.5Å
1634L81.5Confident62.5Low8 Ų863.6 Ų63.64%0.04232%0.322CS..EExtended strand (participates in β ladder)trans-102111.3166.9176.367000108.6Y1590 L1592 Y1647 S1648 L1650 L1667 F1686Y1590-L1634 HydrophobicContact CD1-CD1 4.3Å; L1592-L1634 HydrophobicContact CD1-CB 4.31Å; L1592-L1634 HydrophobicContact CD1-CD1 4.29Å; L1634-Y1647 VanDerWaalsContact O-CA 3.29Å; L1634-Y1647 WeakPolarHBondContact O-CA 3.42Å; L1634-S1648 PolarHBondContact N-O 2.89Å; L1634-S1648 PolarHBondContact O-N 3.5Å; L1634-L1650 HydrophobicContact CB-CD1 4.06Å; L1634-L1650 HydrophobicContact CB-CG 4.39Å; L1634-L1650 HydrophobicContact CD2-CD1 4.37Å; L1634-L1667 HydrophobicContact CD2-CD2 3.61Å; L1634-F1686 HydrophobicContact CD2-CD2 3.85Å; L1634-F1686 HydrophobicContact CD2-CE2 4.46Å
1635S79.9Confident64.2Low2 Ų260 Ų601%0.01430%0.303CS..EExtended strand (participates in β ladder)trans-100.1144.2-178.2-68.60000110.7E1578 Y1590 T1591E1578-S1635 VanDerWaalsContact OE1-CB 3.31Å; E1578-S1635 WeakPolarHBondContact OE1-CB 3.28Å; E1578-S1635 PolarHBondContact OE1-OG 2.73Å; Y1590-S1635 WeakPolarHBondContact CA-O 3.45Å; T1591-S1635 PolarHBondContact N-O 3.14Å; T1591-S1635 PolarHBondContact O-N 2.86Å; T1591-S1635 VanDerWaalsContact OG1-CB 3.31Å; T1591-S1635 WeakPolarHBondContact OG1-CB 3.42Å
1636R79.5Confident66.1Low21 Ų2152.5 Ų52.58%0.07927%0.274CS..EExtended strand (participates in β ladder)trans-125.6125.5177.4-174.4-173.270.8-132.6-4.1111.8Y1590 L1645 G1646 P1684 D1685Y1590-R1636 HydrophobicContact CD1-CB 4.08Å; Y1590-R1636 HydrophobicContact CD1-CG 4.1Å; Y1590-R1636 HydrophobicContact CE1-CB 3.93Å; Y1590-R1636 HydrophobicContact CE1-CG 3.69Å; R1636-L1645 VanDerWaalsContact NE-CB 3.3Å; R1636-L1645 PolarHBondContact NH2-O 2.94Å; R1636-L1645 PolarHBondContact O-N 2.88Å; R1636-G1646 PolarHBondContact N-O 3.46Å; R1636-G1646 VanDerWaalsContact N-O 3.09Å; R1636-P1684 PolarHBondContact NH1-O 3.15Å; R1636-D1685 IonicContact CZ-OD1 3.93Å; R1636-D1685 VanDerWaalsContact CZ-OD1 3.25Å; R1636-D1685 VanDerWaalsContact NH1-N 3.16Å; R1636-D1685 IonicContact NH1-OD1 2.71Å; R1636-D1685 PolarHBondContact NH1-OD1 3.11Å; R1636-D1685 IonicContact NH2-OD1 2.72Å; R1636-D1685 PolarHBondContact NH2-OD1 3.2Å
1637Y79.4Confident67.8Low1 Ų150.1 Ų50.10%0.00426%0.255CS..EExtended strand (participates in β ladder)trans-113.3138.7174.6-56.1-85.5000112Y1534 T1536 I1573 I1575 E1578 G1588 I1589 T1591 R1643 F1644Y1534-Y1637 HydrophobicContact CD1-CD1 4.3Å; Y1534-Y1637 HydrophobicContact CD1-CE1 4.03Å; Y1534-Y1637 HydrophobicContact CE1-CE1 4.25Å; T1536-Y1637 HydrophobicContact CG2-CE1 4.21Å; I1573-Y1637 HydrophobicContact CD1-CG 4.46Å; I1573-Y1637 HydrophobicContact CG2-CD1 3.8Å; I1573-Y1637 HydrophobicContact CG2-CD2 4.23Å; I1573-Y1637 HydrophobicContact CG2-CE1 4.16Å; I1573-Y1637 HydrophobicContact CG2-CG 3.84Å; I1575-Y1637 HydrophobicContact CG2-CE1 4.39Å; I1575-Y1637 HydrophobicContact CG2-CE2 3.69Å; E1578-Y1637 VanDerWaalsContact OE2-CE2 3.29Å; E1578-Y1637 WeakPolarHBondContact OE2-CE2 3.49Å; E1578-Y1637 PolarHBondContact OE2-OH 3.44Å; G1588-Y1637 CarbonylContact C-O 3.55Å; G1588-Y1637 WeakPolarHBondContact CA-O 3.27Å; I1589-Y1637 PolarHBondContact N-O 3.3Å; I1589-Y1637 PolarHBondContact O-N 2.85Å; T1591-Y1637 HydrophobicContact CG2-CD2 4.24Å; T1591-Y1637 HydrophobicContact CG2-CE2 3.99Å; T1591-Y1637 WeakPolarHBondContact OG1-CE2 3.47Å; Y1637-R1643 CarbonylContact C-O 3.56Å; Y1637-R1643 WeakPolarHBondContact CA-O 3.5Å; Y1637-F1644 HydrophobicContact CD1-CB 4.02Å; Y1637-F1644 HydrophobicContact CD1-CD2 4.35Å; Y1637-F1644 HydrophobicContact CE1-CB 3.93Å; Y1637-F1644 AromaticContact CE1-CD2 3.82Å; Y1637-F1644 HydrophobicContact CE1-CD2 3.82Å; Y1637-F1644 HydrophobicContact CE1-CG 4.39Å
1638G76.1Confident69.6Low3 Ų343.8 Ų43.83%0.03122%0.222CC..  trans-67.9129.5-176.200000114T1640 G1642 R1643G1638-T1640 PolarHBondContact O-N 2.93Å; G1638-T1640 VanDerWaalsContact O-N 3.09Å; G1638-G1642 WeakPolarHBondContact O-CA 3.44Å; G1638-G1642 PolarHBondContact O-N 2.88Å; G1638-R1643 PolarHBondContact N-O 3.19Å
1639S70.8Confident71Confident12 Ų1244.3 Ų44.38%0.08422%0.216CC..THydrogen-bonded Turntrans-61.1-14.8178.937.60000115.6L1557L1557-S1639 WeakPolarHBondContact CD2-O 3.41Å
1640T66Low72.1Confident95 Ų9540.4 Ų40.458%0.58320%0.2SC*.THydrogen-bonded Turntrans-117.1-12-172.353.20000114.5G1638G1638-T1640 PolarHBondContact O-N 2.93Å; G1638-T1640 VanDerWaalsContact O-N 3.09Å
1641N66.4Low73.1Confident41 Ų4140.9 Ų40.922%0.21920%0.198CC..THydrogen-bonded Turntrans-153.56.5-173.263.616.7000114.1R1643N1641-R1643 HydrophobicContact CB-CG 4.39Å; N1641-R1643 PolarHBondContact O-N 3.21Å; N1641-R1643 WeakPolarHBondContact OD1-CB 3.47Å; N1641-R1643 PolarHBondContact OD1-N 3.43Å
1642G66.3Low73.2Confident0 Ų041 Ų410%020%0.198CC..  trans64.7-6.9177.600000116.4Y1534 C1571 I1573 G1638 F1644Y1534-G1642 VanDerWaalsContact CB-O 3.27Å; Y1534-G1642 WeakPolarHBondContact CB-O 3.35Å; C1571-G1642 VanDerWaalsContact CB-N 3.31Å; I1573-G1642 VanDerWaalsContact CG1-CA 3.43Å; G1638-G1642 WeakPolarHBondContact O-CA 3.44Å; G1638-G1642 PolarHBondContact O-N 2.88Å; G1642-F1644 PolarHBondContact O-N 2.79Å
1643R66.5Low73Confident116 Ų11643.4 Ų43.444%0.43821%0.214SC..  trans-59.1132.8-174.9-65-177-175-169.82109.9N1531 Y1534 Y1637 G1638 N1641 L1645N1531-R1643 PolarHBondContact OD1-NH2 3.02Å; Y1534-R1643 HydrophobicContact CD2-CB 4.49Å; Y1637-R1643 CarbonylContact C-O 3.56Å; Y1637-R1643 WeakPolarHBondContact CA-O 3.5Å; G1638-R1643 PolarHBondContact N-O 3.19Å; N1641-R1643 HydrophobicContact CB-CG 4.39Å; N1641-R1643 PolarHBondContact O-N 3.21Å; N1641-R1643 WeakPolarHBondContact OD1-CB 3.47Å; N1641-R1643 PolarHBondContact OD1-N 3.43Å; R1643-L1645 HydrophobicContact CB-CD2 4.16Å; R1643-L1645 WeakPolarHBondContact O-CG 3.49Å; R1643-L1645 PolarHBondContact O-N 3.28Å
1644F69.9Low72.9Confident62 Ų6243.6 Ų43.627%0.27222%0.216SC..EExtended strand (participates in β ladder)trans-57.8121.6161.5-179.9-103.5000108.7Y1534 Y1637 G1642 Y1647Y1534-F1644 HydrophobicContact CD1-CB 4Å; Y1534-F1644 HydrophobicContact CD2-CB 4.45Å; Y1534-F1644 HydrophobicContact CE1-CB 3.37Å; Y1534-F1644 HydrophobicContact CE1-CG 4.36Å; Y1534-F1644 HydrophobicContact CE2-CB 3.89Å; Y1534-F1644 WeakPolarHBondContact OH-CB 3.42Å; Y1637-F1644 HydrophobicContact CD1-CB 4.02Å; Y1637-F1644 HydrophobicContact CD1-CD2 4.35Å; Y1637-F1644 HydrophobicContact CE1-CB 3.93Å; Y1637-F1644 AromaticContact CE1-CD2 3.82Å; Y1637-F1644 HydrophobicContact CE1-CD2 3.82Å; Y1637-F1644 HydrophobicContact CE1-CG 4.39Å; G1642-F1644 PolarHBondContact O-N 2.79Å; F1644-Y1647 AromaticContact CE1-CD1 3.86Å; F1644-Y1647 HydrophobicContact CE1-CD1 3.86Å; F1644-Y1647 AromaticContact CZ-CD1 3.59Å; F1644-Y1647 HydrophobicContact CZ-CD1 3.59Å; F1644-Y1647 HydrophobicContact CZ-CG 4.11Å
1645L70Confident72.6Confident76 Ų7644.2 Ų44.240%0.39822%0.219SC..EExtended strand (participates in β ladder)trans-102-4.6-175.8-57.6-177.6000112R1636 R1643R1636-L1645 VanDerWaalsContact NE-CB 3.3Å; R1636-L1645 PolarHBondContact NH2-O 2.94Å; R1636-L1645 PolarHBondContact O-N 2.88Å; R1643-L1645 HydrophobicContact CB-CD2 4.16Å; R1643-L1645 WeakPolarHBondContact O-CG 3.49Å; R1643-L1645 PolarHBondContact O-N 3.28Å
1646G69.5Low71.8Confident13 Ų1353 Ų5313%0.13426%0.257CS..EExtended strand (participates in β ladder)trans142.3168.1179.700000113.3R1636R1636-G1646 PolarHBondContact N-O 3.46Å; R1636-G1646 VanDerWaalsContact N-O 3.09Å
1647Y75.8Confident71Confident109 Ų10953.3 Ų53.343%0.42727%0.267SS..EExtended strand (participates in β ladder)trans-128.4162174.461.2-78000111.4L1633 L1634 F1644 F1649 K1687L1633-Y1647 HydrophobicContact CD1-CD2 3.56Å; L1633-Y1647 HydrophobicContact CD1-CE2 4.48Å; L1633-Y1647 HydrophobicContact CD1-CG 3.96Å; L1634-Y1647 VanDerWaalsContact O-CA 3.29Å; L1634-Y1647 WeakPolarHBondContact O-CA 3.42Å; F1644-Y1647 AromaticContact CE1-CD1 3.86Å; F1644-Y1647 HydrophobicContact CE1-CD1 3.86Å; F1644-Y1647 AromaticContact CZ-CD1 3.59Å; F1644-Y1647 HydrophobicContact CZ-CD1 3.59Å; F1644-Y1647 HydrophobicContact CZ-CG 4.11Å; Y1647-F1649 HydrophobicContact CD2-CE2 4.29Å; Y1647-F1649 HydrophobicContact CD2-CZ 4.46Å; Y1647-F1649 HydrophobicContact CE2-CD2 4.18Å; Y1647-F1649 AromaticContact CE2-CE2 3.66Å; Y1647-F1649 HydrophobicContact CE2-CE2 3.66Å; Y1647-F1649 AromaticContact CE2-CZ 3.99Å; Y1647-F1649 HydrophobicContact CE2-CZ 3.99Å; Y1647-K1687 WeakPolarHBondContact O-CE 3.04Å
1648S75Confident70.7Confident10 Ų1054.3 Ų54.37%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-133.8139.7165.556.50000109.9L1634L1634-S1648 PolarHBondContact N-O 2.89Å; L1634-S1648 PolarHBondContact O-N 3.5Å
1649F74.2Confident70.5Confident109 Ų10958.6 Ų58.648%0.47829%0.292SS..EExtended strand (participates in β ladder)trans-84.5127.6169.7-71.2-65.6000109.6Q1631 A1632 L1633 Y1647Q1631-F1649 HydrophobicContact CB-CD1 4.38Å; A1632-F1649 WeakPolarHBondContact O-CA 3.43Å; L1633-F1649 HydrophobicContact CD1-CD1 4.09Å; L1633-F1649 HydrophobicContact CD1-CE1 3.88Å; L1633-F1649 HydrophobicContact CD1-CZ 4.5Å; Y1647-F1649 HydrophobicContact CD2-CE2 4.29Å; Y1647-F1649 HydrophobicContact CD2-CZ 4.46Å; Y1647-F1649 HydrophobicContact CE2-CD2 4.18Å; Y1647-F1649 AromaticContact CE2-CE2 3.66Å; Y1647-F1649 HydrophobicContact CE2-CE2 3.66Å; Y1647-F1649 AromaticContact CE2-CZ 3.99Å; Y1647-F1649 HydrophobicContact CE2-CZ 3.99Å
1650L76.6Confident70.5Confident12 Ų1258.6 Ų58.66%0.06329%0.291CS..EExtended strand (participates in β ladder)trans-107145.7172.3-56.7-177.9000108.6Q1631 A1632 L1634 H1652 V1654 L1669 L1681Q1631-L1650 CarbonylContact C-O 3.52Å; Q1631-L1650 VanDerWaalsContact CA-O 3.32Å; Q1631-L1650 WeakPolarHBondContact CA-O 3.5Å; A1632-L1650 PolarHBondContact N-O 3.46Å; A1632-L1650 PolarHBondContact O-N 3.08Å; L1634-L1650 HydrophobicContact CB-CD1 4.06Å; L1634-L1650 HydrophobicContact CB-CG 4.39Å; L1634-L1650 HydrophobicContact CD2-CD1 4.37Å; L1650-H1652 PolarHBondContact O-N 3.2Å; L1650-V1654 HydrophobicContact CB-CG2 3.98Å; L1650-V1654 HydrophobicContact CD1-CG2 3.86Å; L1650-L1669 HydrophobicContact CD1-CD2 4.08Å; L1650-L1669 HydrophobicContact CD2-CD2 3.52Å; L1650-L1669 HydrophobicContact CG-CD2 4.43Å; L1650-L1681 HydrophobicContact CD2-CD1 4.31Å
1651Q72.6Confident70.8Confident59 Ų5954.1 Ų54.128%0.27626%0.264SS..EExtended strand (participates in β ladder)trans-68.6130.4170.4-76.9173.7-43.600109.5P1653 C1671 G1672Q1651-P1653 CarbonylContact O-C 3.55Å; Q1651-C1671 WeakPolarHBondContact O-CB 3.29Å; Q1651-G1672 PolarHBondContact O-N 3.04Å
1652H70.6Confident70.9Confident73 Ų7356.9 Ų56.934%0.33827%0.272SS..SBendtrans-81.1141.7177-168.6-78000110P1630 L1650P1630-H1652 HydrophobicContact CB-CB 4.44Å; P1630-H1652 PolarHBondContact O-N 2.96Å; P1630-H1652 VanDerWaalsContact O-N 3.1Å; L1650-H1652 PolarHBondContact O-N 3.2Å
1653P69.6Low71Confident55 Ų5563.7 Ų63.736%0.35731%0.308SS..PPolyproline II helixcis-81.4163.9-6.234.7-36.3000113.6Q1651 C1671 G1672Q1651-P1653 CarbonylContact O-C 3.55Å; P1653-C1671 WeakPolarHBondContact O-CA 3.43Å; P1653-G1672 PolarHBondContact O-N 3.3Å
1654V74Confident71Confident38 Ų3859.4 Ų59.423%0.2329%0.294CS..BIsolated β-bridgetrans-102.3125.3168.1179.40000108.3L1650 T1658L1650-V1654 HydrophobicContact CB-CG2 3.98Å; L1650-V1654 HydrophobicContact CD1-CG2 3.86Å; V1654-T1658 HydrophobicContact CG1-CG2 3.48Å; V1654-T1658 VanDerWaalsContact CG1-CG2 3.48Å
1655I75.2Confident71.3Confident22 Ų2262.2 Ų62.211%0.11330%0.303CS..PPolyproline II helixtrans-85.4142.5-168-71.5168.4000112.8G1657 T1658 C1670 V1711I1655-G1657 PolarHBondContact O-N 3.44Å; I1655-T1658 WeakPolarHBondContact O-CG2 3.48Å; I1655-T1658 PolarHBondContact O-N 3.34Å; I1655-T1658 PolarHBondContact O-OG1 2.68Å; I1655-C1670 HydrophobicContact CB-CB 4.41Å; I1655-C1670 PolarHBondContact N-O 3.29Å; I1655-C1670 VanDerWaalsContact N-O 3.08Å; I1655-V1711 HydrophobicContact CD1-CB 4.08Å; I1655-V1711 HydrophobicContact CD1-CG1 4.49Å
1656K62.9Low71.8Confident187 Ų18760.5 Ų60.581%0.81329%0.291SS*.THydrogen-bonded Turntrans-59.6125.3177.8-69.1-178178.2177.70111
1657G64.4Low72.4Confident27 Ų2760.1 Ų60.128%0.27829%0.286SS..THydrogen-bonded Turntrans116.2-6.8-17000000113.4I1655 Q1659I1655-G1657 PolarHBondContact O-N 3.44Å; G1657-Q1659 PolarHBondContact O-N 3.24Å
1658T72.1Confident72.7Confident21 Ų2155 Ų5513%0.12927%0.266CS..  trans-59.4124.4162.252.40000110.5V1654 I1655 L1669V1654-T1658 HydrophobicContact CG1-CG2 3.48Å; V1654-T1658 VanDerWaalsContact CG1-CG2 3.48Å; I1655-T1658 WeakPolarHBondContact O-CG2 3.48Å; I1655-T1658 PolarHBondContact O-N 3.34Å; I1655-T1658 PolarHBondContact O-OG1 2.68Å; T1658-L1669 HydrophobicContact CG2-CB 3.64Å
1659Q72.1Confident73Confident93 Ų9354.5 Ų54.544%0.43526%0.263SS..EExtended strand (participates in β ladder)trans-146.3145.5-177.4-173.9178-21.700109.1G1657 I1661G1657-Q1659 PolarHBondContact O-N 3.24Å; Q1659-I1661 HydrophobicContact CB-CG2 4.39Å; Q1659-I1661 HydrophobicContact CG-CG2 4.27Å
1660I71.7Confident73.3Confident12 Ų1249.3 Ų49.36%0.06224%0.24CC..EExtended strand (participates in β ladder)trans-82.4125.3169.2-30-178.2000107.9H1582 Y1590 D1664 Y1666 L1667 F1686H1582-I1660 HydrophobicContact CB-CD1 4.4Å; Y1590-I1660 HydrophobicContact CD2-CD1 3.59Å; Y1590-I1660 HydrophobicContact CE2-CD1 3.56Å; Y1590-I1660 HydrophobicContact CG-CD1 4.26Å; I1660-D1664 HydrophobicContact CG2-CB 4.18Å; I1660-Y1666 WeakPolarHBondContact CA-O 3.27Å; I1660-L1667 HydrophobicContact CG1-CD1 4.35Å; I1660-F1686 HydrophobicContact CG2-CZ 3.99Å
1661I72.3Confident73.5Confident2 Ų248.8 Ų48.81%0.0124%0.237CC..EExtended strand (participates in β ladder)trans-122.8172-173.264.3174.3000112.3Q1659 R1665 Y1666 V1668 T1716 P1721Q1659-I1661 HydrophobicContact CB-CG2 4.39Å; Q1659-I1661 HydrophobicContact CG-CG2 4.27Å; I1661-R1665 PolarHBondContact O-N 3.42Å; I1661-Y1666 PolarHBondContact N-O 3.23Å; I1661-Y1666 PolarHBondContact O-N 2.91Å; I1661-V1668 HydrophobicContact CD1-CG2 3.5Å; I1661-V1668 VanDerWaalsContact CD1-CG2 3.5Å; I1661-V1668 HydrophobicContact CG1-CG2 4.07Å; I1661-T1716 HydrophobicContact CD1-CG2 4.21Å; I1661-T1716 HydrophobicContact CG2-CG2 4.37Å; I1661-P1721 HydrophobicContact CD1-CB 3.58Å; I1661-P1721 HydrophobicContact CG1-CB 4.17Å
1662Y67.8Low73.7Confident98 Ų9846.1 Ų46.138%0.38423%0.225SC..THydrogen-bonded Turntrans57.657.5178.7-156.9-83.5000111.7D1664 R1665 Y1666 E1718 P1721Y1662-D1664 PolarHBondContact O-N 2.82Å; Y1662-R1665 HydrophobicContact CD1-CB 4.29Å; Y1662-R1665 HydrophobicContact CD1-CG 4.24Å; Y1662-R1665 WeakPolarHBondContact O-CB 3.46Å; Y1662-R1665 WeakPolarHBondContact O-CG 3.14Å; Y1662-R1665 PolarHBondContact O-N 2.85Å; Y1662-Y1666 HydrophobicContact CD1-CE2 4.42Å; Y1662-Y1666 HydrophobicContact CG-CD2 4.5Å; Y1662-Y1666 HydrophobicContact CG-CE2 4.43Å; Y1662-E1718 VanDerWaalsContact CD2-O 3.25Å; Y1662-E1718 WeakPolarHBondContact CD2-O 3.5Å; Y1662-P1721 HydrophobicContact CD2-CG 3.76Å; Y1662-P1721 HydrophobicContact CE2-CG 4.39Å; Y1662-P1721 HydrophobicContact CG-CG 4.21Å
1663N67.3Low73.7Confident144 Ų14446.9 Ų46.977%0.7723%0.229SC*.THydrogen-bonded Turntrans49.656.5-175.6-62.7-9000112.3K1586 R1665K1586-N1663 PolarHBondContact NZ-O 2.95Å; N1663-R1665 VanDerWaalsContact C-N 3.25Å; N1663-R1665 PolarHBondContact O-N 3.34Å
1664D67.3Low73.8Confident25 Ų2550.8 Ų50.813%0.13424%0.238CC..THydrogen-bonded Turntrans59.417.4-178.9-59-55.9000115.9H1582 S1584 Y1587 I1660 Y1662 A1683H1582-D1664 IonicContact CE1-OD1 2.84Å; H1582-D1664 PolarHBondContact CE1-OD1 3.33Å; H1582-D1664 IonicContact ND1-OD1 2.64Å; S1584-D1664 VanDerWaalsContact CB-OD2 3.27Å; S1584-D1664 WeakPolarHBondContact CB-OD2 3.35Å; S1584-D1664 VanDerWaalsContact OG-CG 3.26Å; S1584-D1664 PolarHBondContact OG-OD2 2.89Å; Y1587-D1664 HydrophobicContact CD2-CB 3.29Å; Y1587-D1664 HydrophobicContact CE2-CB 3.44Å; Y1587-D1664 VanDerWaalsContact CE2-CB 3.44Å; Y1587-D1664 WeakPolarHBondContact CE2-O 3.34Å; Y1587-D1664 HydrophobicContact CG-CB 4.47Å; I1660-D1664 HydrophobicContact CG2-CB 4.18Å; Y1662-D1664 PolarHBondContact O-N 2.82Å; D1664-A1683 WeakPolarHBondContact O-CB 3.37Å
1665R75.8Confident73.9Confident122 Ų12249 Ų4946%0.4623%0.227SC..THydrogen-bonded Turntrans-76.8-32.4-176.8-77.3-161.4-172.5-179.7-1.9115.1I1661 Y1662 N1663 A1683I1661-R1665 PolarHBondContact O-N 3.42Å; Y1662-R1665 HydrophobicContact CD1-CB 4.29Å; Y1662-R1665 HydrophobicContact CD1-CG 4.24Å; Y1662-R1665 WeakPolarHBondContact O-CB 3.46Å; Y1662-R1665 WeakPolarHBondContact O-CG 3.14Å; Y1662-R1665 PolarHBondContact O-N 2.85Å; N1663-R1665 VanDerWaalsContact C-N 3.25Å; N1663-R1665 PolarHBondContact O-N 3.34Å; R1665-A1683 WeakPolarHBondContact O-CB 3.49Å; R1665-A1683 PolarHBondContact O-N 2.9Å
1666Y81.4Confident74.2Confident39 Ų3950.4 Ų50.415%0.15323%0.233CC..EExtended strand (participates in β ladder)trans-131.4127.2-173.1-56.4-62.5000110.3I1660 I1661 Y1662 M1680 E1682 I1690 P1721I1660-Y1666 WeakPolarHBondContact CA-O 3.27Å; I1661-Y1666 PolarHBondContact N-O 3.23Å; I1661-Y1666 PolarHBondContact O-N 2.91Å; Y1662-Y1666 HydrophobicContact CD1-CE2 4.42Å; Y1662-Y1666 HydrophobicContact CG-CD2 4.5Å; Y1662-Y1666 HydrophobicContact CG-CE2 4.43Å; Y1666-M1680 HydrophobicContact CD1-CE 4.01Å; Y1666-M1680 HydrophobicContact CD1-CG 4.39Å; Y1666-M1680 HydrophobicContact CE1-CE 4.11Å; Y1666-M1680 HydrophobicContact CG-CE 4.33Å; Y1666-M1680 HydrophobicContact CG-CG 4.39Å; Y1666-M1680 HydrophobicContact CG-SD 4.36Å; Y1666-E1682 HydrophobicContact CD1-CG 4.46Å; Y1666-E1682 HydrophobicContact CE1-CG 4.11Å; Y1666-I1690 HydrophobicContact CD1-CD1 3.57Å; Y1666-I1690 HydrophobicContact CE1-CD1 3.42Å; Y1666-I1690 VanDerWaalsContact CE1-CD1 3.42Å; Y1666-P1721 HydrophobicContact CD2-CB 3.81Å; Y1666-P1721 HydrophobicContact CD2-CG 3.85Å; Y1666-P1721 HydrophobicContact CE2-CB 4.39Å; Y1666-P1721 HydrophobicContact CE2-CG 3.92Å
1667L81.4Confident75.1Confident6 Ų643.8 Ų43.83%0.03120%0.203CC..EExtended strand (participates in β ladder)trans-90.2106.1163.3176.760000106.9L1634 I1660 L1669 L1681 F1686L1634-L1667 HydrophobicContact CD2-CD2 3.61Å; I1660-L1667 HydrophobicContact CG1-CD1 4.35Å; L1667-L1669 HydrophobicContact CD2-CD2 3.7Å; L1667-L1669 HydrophobicContact CG-CB 4.31Å; L1667-L1669 HydrophobicContact CG-CD2 3.94Å; L1667-L1681 PolarHBondContact N-O 2.91Å; L1667-L1681 VanDerWaalsContact N-O 3.12Å; L1667-L1681 PolarHBondContact O-N 3.1Å; L1667-F1686 HydrophobicContact CB-CD1 3.56Å; L1667-F1686 HydrophobicContact CB-CD2 4.11Å; L1667-F1686 HydrophobicContact CB-CE1 3.45Å; L1667-F1686 VanDerWaalsContact CB-CE1 3.45Å; L1667-F1686 HydrophobicContact CB-CE2 3.98Å; L1667-F1686 HydrophobicContact CB-CG 3.92Å; L1667-F1686 HydrophobicContact CB-CZ 3.68Å; L1667-F1686 HydrophobicContact CD2-CB 4.44Å; L1667-F1686 HydrophobicContact CD2-CD1 4.47Å; L1667-F1686 HydrophobicContact CD2-CD2 3.71Å; L1667-F1686 HydrophobicContact CD2-CE2 4.02Å; L1667-F1686 HydrophobicContact CD2-CG 3.97Å
1668V82.1Confident76Confident0 Ų042.5 Ų42.50%019%0.19CC..EExtended strand (participates in β ladder)trans-88.2115.4166.9-171.10000106.4I1661 I1678 M1680 L1714 T1716 V1724I1661-V1668 HydrophobicContact CD1-CG2 3.5Å; I1661-V1668 VanDerWaalsContact CD1-CG2 3.5Å; I1661-V1668 HydrophobicContact CG1-CG2 4.07Å; V1668-I1678 HydrophobicContact CG1-CG2 4.24Å; V1668-M1680 HydrophobicContact CG2-CG 4.2Å; V1668-L1714 HydrophobicContact CB-CD2 4.49Å; V1668-L1714 HydrophobicContact CG1-CD2 4.07Å; V1668-L1714 WeakPolarHBondContact O-CD2 3.35Å; V1668-T1716 HydrophobicContact CB-CG2 3.84Å; V1668-T1716 HydrophobicContact CG1-CG2 4.14Å; V1668-T1716 HydrophobicContact CG2-CG2 4.23Å; V1668-V1724 HydrophobicContact CG1-CG2 3.95Å
1669L81.5Confident76.6Confident1 Ų143.6 Ų43.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-125.4148.3-1806583.7000112.4L1650 T1658 L1667 C1671 I1678 R1679 L1681L1650-L1669 HydrophobicContact CD1-CD2 4.08Å; L1650-L1669 HydrophobicContact CD2-CD2 3.52Å; L1650-L1669 HydrophobicContact CG-CD2 4.43Å; T1658-L1669 HydrophobicContact CG2-CB 3.64Å; L1667-L1669 HydrophobicContact CD2-CD2 3.7Å; L1667-L1669 HydrophobicContact CG-CB 4.31Å; L1667-L1669 HydrophobicContact CG-CD2 3.94Å; L1669-C1671 HydrophobicContact CD1-CB 3.73Å; L1669-C1671 WeakPolarHBondContact CD1-SG 3.43Å; L1669-I1678 WeakPolarHBondContact O-CA 3.25Å; L1669-R1679 HydrophobicContact CD1-CB 3.93Å; L1669-R1679 HydrophobicContact CD1-CG 4.42Å; L1669-R1679 HydrophobicContact CG-CB 4.28Å; L1669-R1679 PolarHBondContact N-O 3.3Å; L1669-R1679 PolarHBondContact O-N 2.82Å; L1669-L1681 HydrophobicContact CD2-CD1 3.44Å; L1669-L1681 VanDerWaalsContact CD2-CD1 3.44Å; L1669-L1681 HydrophobicContact CD2-CG 4.36Å; L1669-L1681 HydrophobicContact CG-CD1 4.1Å
1670C81Confident77.2Confident0 Ų039.4 Ų39.40%017%0.172CC..EExtended strand (participates in β ladder)trans-116.1121.1170.7-172.30000107.9I1655 G1675 W1677 I1678 L1714I1655-C1670 HydrophobicContact CB-CB 4.41Å; I1655-C1670 PolarHBondContact N-O 3.29Å; I1655-C1670 VanDerWaalsContact N-O 3.08Å; C1670-G1675 WeakPolarHBondContact SG-CA 3.15Å; C1670-G1675 PolarHBondContact SG-O 2.92Å; C1670-G1675 VanDerWaalsContact SG-O 3.36Å; C1670-W1677 VanDerWaalsContact CA-O 3.31Å; C1670-W1677 WeakPolarHBondContact CA-O 2.98Å; C1670-I1678 HydrophobicContact CB-CG1 4.21Å; C1670-L1714 HydrophobicContact CB-CD1 4.37Å; C1670-L1714 HydrophobicContact CB-CD2 4.43Å
1671C79.8Confident77.8Confident0 Ų039.3 Ų39.30%017%0.172CC..EExtended strand (participates in β ladder)trans-146.8165.5-168.568.50000114.3Q1651 P1653 L1669 W1677 R1679Q1651-C1671 WeakPolarHBondContact O-CB 3.29Å; P1653-C1671 WeakPolarHBondContact O-CA 3.43Å; L1669-C1671 HydrophobicContact CD1-CB 3.73Å; L1669-C1671 WeakPolarHBondContact CD1-SG 3.43Å; C1671-W1677 PolarHBondContact N-O 2.84Å; C1671-W1677 PolarHBondContact O-N 2.81Å; C1671-R1679 PolarHBondContact SG-NH1 2.79Å; C1671-R1679 VanDerWaalsContact SG-NH1 3.44Å
1672G76.7Confident78.2Confident3 Ų341.9 Ų41.93%0.03118%0.184CC..SBendtrans83.3-178.7-17600000112.3Q1651 P1653 Y1674 G1675Q1651-G1672 PolarHBondContact O-N 3.04Å; P1653-G1672 PolarHBondContact O-N 3.3Å; G1672-Y1674 PolarHBondContact O-N 2.76Å; G1672-G1675 PolarHBondContact O-N 3.13Å
1673E70.6Confident78.7Confident89 Ų8938 Ų3842%0.41617%0.172SC..G310 helixtrans-49.4124179.5-77.1156.5-159.100111.1K1629 G1675 Q1676K1629-E1673 WeakPolarHBondContact CD-OE1 3.15Å; K1629-E1673 WeakPolarHBondContact CE-OE1 3.33Å; K1629-E1673 IonicContact NZ-OE1 2.73Å; K1629-E1673 PolarHBondContact NZ-OE1 2.82Å; K1629-E1673 IonicContact NZ-OE2 2.72Å; K1629-E1673 PolarHBondContact NZ-OE2 3.14Å; E1673-G1675 PolarHBondContact O-N 3.04Å; E1673-Q1676 WeakPolarHBondContact O-CB 3.17Å; E1673-Q1676 PolarHBondContact O-N 3.12Å
1674Y72.4Confident78.6Confident138 Ų13834.2 Ų34.254%0.54116%0.155SC..G310 helixtrans52.314.1-179.1-50-71.9000116.4G1672 S1710 V1711 L1731G1672-Y1674 PolarHBondContact O-N 2.76Å; Y1674-S1710 WeakPolarHBondContact O-CA 3.46Å; Y1674-V1711 PolarHBondContact O-N 2.91Å; Y1674-L1731 HydrophobicContact CD1-CD1 4.01Å; Y1674-L1731 HydrophobicContact CD1-CD2 3.87Å; Y1674-L1731 HydrophobicContact CD2-CD1 3.76Å; Y1674-L1731 HydrophobicContact CE1-CD1 4.39Å; Y1674-L1731 HydrophobicContact CE1-CD2 3.98Å; Y1674-L1731 HydrophobicContact CE2-CD1 4.17Å; Y1674-L1731 HydrophobicContact CG-CD1 3.67Å; Y1674-L1731 HydrophobicContact CG-CD2 4.38Å
1675G76Confident78.6Confident0 Ų035.3 Ų35.30%016%0.161CC..G310 helixtrans81.832.5-174.200000114.3C1670 G1672 E1673 W1677C1670-G1675 WeakPolarHBondContact SG-CA 3.15Å; C1670-G1675 PolarHBondContact SG-O 2.92Å; C1670-G1675 VanDerWaalsContact SG-O 3.36Å; G1672-G1675 PolarHBondContact O-N 3.13Å; E1673-G1675 PolarHBondContact O-N 3.04Å; G1675-W1677 PolarHBondContact O-N 3.41Å; G1675-W1677 VanDerWaalsContact O-N 3.09Å
1676Q80.9Confident78.6Confident52 Ų5229.7 Ų29.724%0.24314%0.14CC..  trans-46.1-39.8-179.5-174.6-176.524.100114.4E1673 L1695 H1696E1673-Q1676 WeakPolarHBondContact O-CB 3.17Å; E1673-Q1676 PolarHBondContact O-N 3.12Å; Q1676-L1695 WeakPolarHBondContact O-CB 3Å; Q1676-L1695 PolarHBondContact O-N 3.12Å; Q1676-H1696 HydrophobicContact CG-CB 4.3Å
1677W82.5Confident78Confident47 Ų4734 Ų3418%0.17816%0.159CC..EExtended strand (participates in β ladder)trans-114126.7-173.4-57.996.1000111.3C1670 C1671 G1675 R1679 E1692 N1694C1670-W1677 VanDerWaalsContact CA-O 3.31Å; C1670-W1677 WeakPolarHBondContact CA-O 2.98Å; C1671-W1677 PolarHBondContact N-O 2.84Å; C1671-W1677 PolarHBondContact O-N 2.81Å; G1675-W1677 PolarHBondContact O-N 3.41Å; G1675-W1677 VanDerWaalsContact O-N 3.09Å; W1677-R1679 HydrophobicContact CB-CG 4.21Å; W1677-E1692 VanDerWaalsContact CE3-CD 3.44Å; W1677-E1692 HydrophobicContact CE3-CG 3.44Å; W1677-E1692 VanDerWaalsContact CE3-CG 3.44Å; W1677-E1692 HydrophobicContact CZ3-CG 3.7Å; W1677-N1694 HydrophobicContact CE3-CB 3.99Å; W1677-N1694 HydrophobicContact CH2-CB 3.92Å; W1677-N1694 HydrophobicContact CZ3-CB 3.51Å
1678I84.4Confident77.8Confident0 Ų040 Ų400%019%0.185CC..EExtended strand (participates in β ladder)trans-97.7121.2156.3-67.3-175000107.9V1668 L1669 C1670 E1692 V1693 L1695 L1714 V1724 I1726 L1745V1668-I1678 HydrophobicContact CG1-CG2 4.24Å; L1669-I1678 WeakPolarHBondContact O-CA 3.25Å; C1670-I1678 HydrophobicContact CB-CG1 4.21Å; I1678-E1692 WeakPolarHBondContact O-CA 3.43Å; I1678-V1693 PolarHBondContact N-O 2.98Å; I1678-V1693 VanDerWaalsContact N-O 3.08Å; I1678-V1693 PolarHBondContact O-N 2.67Å; I1678-L1695 HydrophobicContact CD1-CD1 4.18Å; I1678-L1695 HydrophobicContact CD1-CD2 4.29Å; I1678-L1714 HydrophobicContact CD1-CD1 3.91Å; I1678-V1724 HydrophobicContact CD1-CG1 4.23Å; I1678-I1726 HydrophobicContact CD1-CD1 3.31Å; I1678-I1726 HydrophobicContact CD1-CG1 3.66Å; I1678-I1726 HydrophobicContact CD1-CG2 4.43Å; I1678-L1745 HydrophobicContact CG2-CD1 4.47Å; I1678-L1745 HydrophobicContact CG2-CD2 4.27Å
1679R84.4Confident77.5Confident45 Ų4543.6 Ų43.617%0.1720%0.204CC..EExtended strand (participates in β ladder)trans-119.4122.4179.3-63.1-176.1165.7126.16.1108.7L1669 C1671 W1677 L1681 L1689 E1692L1669-R1679 HydrophobicContact CD1-CB 3.93Å; L1669-R1679 HydrophobicContact CD1-CG 4.42Å; L1669-R1679 HydrophobicContact CG-CB 4.28Å; L1669-R1679 PolarHBondContact N-O 3.3Å; L1669-R1679 PolarHBondContact O-N 2.82Å; C1671-R1679 PolarHBondContact SG-NH1 2.79Å; C1671-R1679 VanDerWaalsContact SG-NH1 3.44Å; W1677-R1679 HydrophobicContact CB-CG 4.21Å; R1679-L1681 HydrophobicContact CB-CD2 3.95Å; R1679-L1681 HydrophobicContact CB-CG 4.04Å; R1679-L1689 HydrophobicContact CB-CD1 3.8Å; R1679-L1689 HydrophobicContact CG-CD1 3.79Å; R1679-E1692 HydrophobicContact CG-CG 4.37Å; R1679-E1692 IonicContact CZ-OE1 2.66Å; R1679-E1692 IonicContact NE-OE1 3.71Å; R1679-E1692 PolarHBondContact NE-OE1 2.97Å; R1679-E1692 IonicContact NH2-OE1 2.76Å; R1679-E1692 PolarHBondContact NH2-OE1 3Å
1680M84.2Confident77.4Confident5 Ų545.5 Ų45.53%0.02521%0.214CC..EExtended strand (participates in β ladder)trans-93.7106164-169.9173.999.400107.8Y1666 V1668 I1690 Y1691 T1722 L1745Y1666-M1680 HydrophobicContact CD1-CE 4.01Å; Y1666-M1680 HydrophobicContact CD1-CG 4.39Å; Y1666-M1680 HydrophobicContact CE1-CE 4.11Å; Y1666-M1680 HydrophobicContact CG-CE 4.33Å; Y1666-M1680 HydrophobicContact CG-CG 4.39Å; Y1666-M1680 HydrophobicContact CG-SD 4.36Å; V1668-M1680 HydrophobicContact CG2-CG 4.2Å; M1680-I1690 HydrophobicContact CE-CB 4.05Å; M1680-I1690 HydrophobicContact CE-CD1 3.5Å; M1680-I1690 VanDerWaalsContact CE-CD1 3.5Å; M1680-I1690 HydrophobicContact CE-CG1 4.41Å; M1680-I1690 HydrophobicContact CE-CG2 3.91Å; M1680-I1690 HydrophobicContact CG-CD1 4.43Å; M1680-I1690 PolarHBondContact O-N 2.77Å; M1680-Y1691 HydrophobicContact CB-CD2 4.49Å; M1680-Y1691 HydrophobicContact CE-CD2 3.58Å; M1680-Y1691 HydrophobicContact CE-CE2 3.72Å; M1680-Y1691 PolarHBondContact N-O 3.25Å; M1680-Y1691 HydrophobicContact SD-CD2 4.11Å; M1680-T1722 HydrophobicContact CE-CG2 4.4Å; M1680-L1745 HydrophobicContact CB-CD1 3.97Å; M1680-L1745 HydrophobicContact SD-CD1 4.43Å
1681L83.3Confident77.4Confident10 Ų1047.7 Ų47.75%0.05222%0.222CC..EExtended strand (participates in β ladder)trans-101.2135-176.5-58.7-179.9000110.1L1650 L1667 L1669 R1679 F1686 K1688 L1689L1650-L1681 HydrophobicContact CD2-CD1 4.31Å; L1667-L1681 PolarHBondContact N-O 2.91Å; L1667-L1681 VanDerWaalsContact N-O 3.12Å; L1667-L1681 PolarHBondContact O-N 3.1Å; L1669-L1681 HydrophobicContact CD2-CD1 3.44Å; L1669-L1681 VanDerWaalsContact CD2-CD1 3.44Å; L1669-L1681 HydrophobicContact CD2-CG 4.36Å; L1669-L1681 HydrophobicContact CG-CD1 4.1Å; R1679-L1681 HydrophobicContact CB-CD2 3.95Å; R1679-L1681 HydrophobicContact CB-CG 4.04Å; L1681-F1686 HydrophobicContact CB-CB 3.76Å; L1681-F1686 HydrophobicContact CB-CD1 4.01Å; L1681-F1686 HydrophobicContact CB-CG 4.27Å; L1681-F1686 WeakPolarHBondContact CB-O 3.48Å; L1681-F1686 HydrophobicContact CD1-CB 4.08Å; L1681-F1686 VanDerWaalsContact CD1-O 3.29Å; L1681-F1686 WeakPolarHBondContact CD1-O 3.18Å; L1681-F1686 WeakPolarHBondContact CD2-O 3.37Å; L1681-F1686 WeakPolarHBondContact O-CD1 3.46Å; L1681-K1688 WeakPolarHBondContact CA-O 3.17Å; L1681-L1689 HydrophobicContact CD2-CB 4.23Å; L1681-L1689 HydrophobicContact CD2-CD1 3.55Å
1682E82.5Confident77.5Confident56 Ų5651.1 Ų51.126%0.26224%0.238SC..EExtended strand (participates in β ladder)trans-80.9133.1-178.6-152.8160.6-161.100112.1Y1666 F1686 K1688 I1690Y1666-E1682 HydrophobicContact CD1-CG 4.46Å; Y1666-E1682 HydrophobicContact CE1-CG 4.11Å; E1682-F1686 VanDerWaalsContact O-CA 3.31Å; E1682-F1686 WeakPolarHBondContact O-CA 3.42Å; E1682-F1686 WeakPolarHBondContact O-CD1 3.42Å; E1682-F1686 PolarHBondContact O-N 3Å; E1682-K1688 HydrophobicContact CB-CB 4.24Å; E1682-K1688 HydrophobicContact CB-CD 4.4Å; E1682-K1688 HydrophobicContact CB-CG 4.5Å; E1682-K1688 PolarHBondContact N-O 2.95Å; E1682-K1688 VanDerWaalsContact OE2-CD 3.28Å; E1682-K1688 WeakPolarHBondContact OE2-CD 3.47Å; E1682-K1688 VanDerWaalsContact OE2-CE 3.22Å; E1682-K1688 WeakPolarHBondContact OE2-CE 3.47Å; E1682-K1688 IonicContact OE2-NZ 2.78Å; E1682-K1688 PolarHBondContact OE2-NZ 2.89Å; E1682-I1690 HydrophobicContact CB-CD1 3.68Å; E1682-I1690 HydrophobicContact CB-CG1 3.88Å; E1682-I1690 HydrophobicContact CG-CD1 3.87Å; E1682-I1690 HydrophobicContact CG-CG1 4.44Å
1683A76.9Confident77.7Confident17 Ų1751.4 Ų51.414%0.1424%0.239CC..THydrogen-bonded Turntrans-61.3148.5165.700000110.3Y1587 D1664 R1665 F1686Y1587-A1683 HydrophobicContact CD1-CB 4.26Å; Y1587-A1683 HydrophobicContact CE1-CB 3.64Å; Y1587-A1683 HydrophobicContact CE2-CB 4.47Å; D1664-A1683 WeakPolarHBondContact O-CB 3.37Å; R1665-A1683 WeakPolarHBondContact O-CB 3.49Å; R1665-A1683 PolarHBondContact O-N 2.9Å; A1683-F1686 HydrophobicContact CB-CE1 3.8Å; A1683-F1686 HydrophobicContact CB-CZ 4.27Å
1684P66.1Low78.3Confident63 Ų6349.3 Ų49.341%0.40923%0.231SC..THydrogen-bonded Turncis-92.4-3312.335.8-35.6000113.7Y1587 R1636Y1587-P1684 HydrophobicContact CD1-CB 3.94Å; Y1587-P1684 HydrophobicContact CE1-CB 4.13Å; R1636-P1684 PolarHBondContact NH1-O 3.15Å
1685D67.5Low78.6Confident48 Ų4842.8 Ų42.826%0.25721%0.205SC..THydrogen-bonded Turntrans-81.8-16.5-167.2-96.444000114.4R1636 K1687R1636-D1685 IonicContact CZ-OD1 3.93Å; R1636-D1685 VanDerWaalsContact CZ-OD1 3.25Å; R1636-D1685 VanDerWaalsContact NH1-N 3.16Å; R1636-D1685 IonicContact NH1-OD1 2.71Å; R1636-D1685 PolarHBondContact NH1-OD1 3.11Å; R1636-D1685 IonicContact NH2-OD1 2.72Å; R1636-D1685 PolarHBondContact NH2-OD1 3.2Å; D1685-K1687 HydrophobicContact CB-CB 4.4Å; D1685-K1687 HydrophobicContact CB-CD 4.18Å; D1685-K1687 HydrophobicContact CB-CG 4.22Å; D1685-K1687 PolarHBondContact O-N 2.69Å; D1685-K1687 WeakPolarHBondContact OD2-CE 3.11Å; D1685-K1687 IonicContact OD2-NZ 3.14Å; D1685-K1687 PolarHBondContact OD2-NZ 3.2Å
1686F75.6Confident78.9Confident5 Ų544 Ų442%0.02221%0.211CC..SBendtrans55.64.5-171.3-54.6-49.2000115.1Y1590 L1634 I1660 L1667 L1681 E1682 A1683 K1688Y1590-F1686 HydrophobicContact CD1-CE2 4.31Å; Y1590-F1686 HydrophobicContact CE1-CD2 4.14Å; Y1590-F1686 AromaticContact CE1-CE2 3.47Å; Y1590-F1686 HydrophobicContact CE1-CE2 3.47Å; Y1590-F1686 VanDerWaalsContact CE1-CE2 3.47Å; Y1590-F1686 HydrophobicContact CE1-CZ 4.38Å; Y1590-F1686 AromaticContact CZ-CE2 3.63Å; Y1590-F1686 WeakPolarHBondContact OH-CE2 3.32Å; L1634-F1686 HydrophobicContact CD2-CD2 3.85Å; L1634-F1686 HydrophobicContact CD2-CE2 4.46Å; I1660-F1686 HydrophobicContact CG2-CZ 3.99Å; L1667-F1686 HydrophobicContact CB-CD1 3.56Å; L1667-F1686 HydrophobicContact CB-CD2 4.11Å; L1667-F1686 HydrophobicContact CB-CE1 3.45Å; L1667-F1686 VanDerWaalsContact CB-CE1 3.45Å; L1667-F1686 HydrophobicContact CB-CE2 3.98Å; L1667-F1686 HydrophobicContact CB-CG 3.92Å; L1667-F1686 HydrophobicContact CB-CZ 3.68Å; L1667-F1686 HydrophobicContact CD2-CB 4.44Å; L1667-F1686 HydrophobicContact CD2-CD1 4.47Å; L1667-F1686 HydrophobicContact CD2-CD2 3.71Å; L1667-F1686 HydrophobicContact CD2-CE2 4.02Å; L1667-F1686 HydrophobicContact CD2-CG 3.97Å; L1681-F1686 HydrophobicContact CB-CB 3.76Å; L1681-F1686 HydrophobicContact CB-CD1 4.01Å; L1681-F1686 HydrophobicContact CB-CG 4.27Å; L1681-F1686 WeakPolarHBondContact CB-O 3.48Å; L1681-F1686 HydrophobicContact CD1-CB 4.08Å; L1681-F1686 VanDerWaalsContact CD1-O 3.29Å; L1681-F1686 WeakPolarHBondContact CD1-O 3.18Å; L1681-F1686 WeakPolarHBondContact CD2-O 3.37Å; L1681-F1686 WeakPolarHBondContact O-CD1 3.46Å; E1682-F1686 VanDerWaalsContact O-CA 3.31Å; E1682-F1686 WeakPolarHBondContact O-CA 3.42Å; E1682-F1686 WeakPolarHBondContact O-CD1 3.42Å; E1682-F1686 PolarHBondContact O-N 3Å; A1683-F1686 HydrophobicContact CB-CE1 3.8Å; A1683-F1686 HydrophobicContact CB-CZ 4.27Å; F1686-K1688 VanDerWaalsContact C-N 3.31Å; F1686-K1688 PolarHBondContact O-N 2.7Å
1687K68.6Low78.8Confident130 Ų13046.1 Ų46.157%0.56522%0.22SC*.  trans-68.2-27.3169.5-66169.3-172.4151.90113.2Y1647 D1685 L1689Y1647-K1687 WeakPolarHBondContact O-CE 3.04Å; D1685-K1687 HydrophobicContact CB-CB 4.4Å; D1685-K1687 HydrophobicContact CB-CD 4.18Å; D1685-K1687 HydrophobicContact CB-CG 4.22Å; D1685-K1687 PolarHBondContact O-N 2.69Å; D1685-K1687 WeakPolarHBondContact OD2-CE 3.11Å; D1685-K1687 IonicContact OD2-NZ 3.14Å; D1685-K1687 PolarHBondContact OD2-NZ 3.2Å; K1687-L1689 PolarHBondContact O-N 3.45Å
1688K76.9Confident78.6Confident130 Ų13044.4 Ų44.457%0.56521%0.214SC*.EExtended strand (participates in β ladder)trans-85.3106.9-178.7-175.9179.9167.6-158.60110.4L1681 E1682 F1686L1681-K1688 WeakPolarHBondContact CA-O 3.17Å; E1682-K1688 HydrophobicContact CB-CB 4.24Å; E1682-K1688 HydrophobicContact CB-CD 4.4Å; E1682-K1688 HydrophobicContact CB-CG 4.5Å; E1682-K1688 PolarHBondContact N-O 2.95Å; E1682-K1688 VanDerWaalsContact OE2-CD 3.28Å; E1682-K1688 WeakPolarHBondContact OE2-CD 3.47Å; E1682-K1688 VanDerWaalsContact OE2-CE 3.22Å; E1682-K1688 WeakPolarHBondContact OE2-CE 3.47Å; E1682-K1688 IonicContact OE2-NZ 2.78Å; E1682-K1688 PolarHBondContact OE2-NZ 2.89Å; F1686-K1688 VanDerWaalsContact C-N 3.31Å; F1686-K1688 PolarHBondContact O-N 2.7Å
1689L76.7Confident78.3Confident76 Ų7644.4 Ų44.440%0.39821%0.214SC..EExtended strand (participates in β ladder)trans-75.1114.9172.7-170.861.8000110.1R1679 L1681 K1687 E1692R1679-L1689 HydrophobicContact CB-CD1 3.8Å; R1679-L1689 HydrophobicContact CG-CD1 3.79Å; L1681-L1689 HydrophobicContact CD2-CB 4.23Å; L1681-L1689 HydrophobicContact CD2-CD1 3.55Å; K1687-L1689 PolarHBondContact O-N 3.45Å; L1689-E1692 HydrophobicContact CD1-CB 3.95Å; L1689-E1692 HydrophobicContact CD2-CB 3.9Å; L1689-E1692 HydrophobicContact CD2-CG 4.43Å; L1689-E1692 HydrophobicContact CG-CB 4.05Å
1690I78.5Confident77.9Confident42 Ų4245.2 Ų45.222%0.21522%0.219CC..EExtended strand (participates in β ladder)trans-89.1-55176.9-52.2167.6000109.3Y1666 M1680 E1682Y1666-I1690 HydrophobicContact CD1-CD1 3.57Å; Y1666-I1690 HydrophobicContact CE1-CD1 3.42Å; Y1666-I1690 VanDerWaalsContact CE1-CD1 3.42Å; M1680-I1690 HydrophobicContact CE-CB 4.05Å; M1680-I1690 HydrophobicContact CE-CD1 3.5Å; M1680-I1690 VanDerWaalsContact CE-CD1 3.5Å; M1680-I1690 HydrophobicContact CE-CG1 4.41Å; M1680-I1690 HydrophobicContact CE-CG2 3.91Å; M1680-I1690 HydrophobicContact CG-CD1 4.43Å; M1680-I1690 PolarHBondContact O-N 2.77Å; E1682-I1690 HydrophobicContact CB-CD1 3.68Å; E1682-I1690 HydrophobicContact CB-CG1 3.88Å; E1682-I1690 HydrophobicContact CG-CD1 3.87Å; E1682-I1690 HydrophobicContact CG-CG1 4.44Å
1691Y81.2Confident77.4Confident46 Ų4649.8 Ų49.818%0.1824%0.24CC..EExtended strand (participates in β ladder)trans-128.7132.5176.5-58.8-61.8000109.1M1680 T1722 L1745M1680-Y1691 HydrophobicContact CB-CD2 4.49Å; M1680-Y1691 HydrophobicContact CE-CD2 3.58Å; M1680-Y1691 HydrophobicContact CE-CE2 3.72Å; M1680-Y1691 PolarHBondContact N-O 3.25Å; M1680-Y1691 HydrophobicContact SD-CD2 4.11Å; Y1691-T1722 HydrophobicContact CD2-CG2 4.36Å; Y1691-T1722 HydrophobicContact CE2-CG2 3.75Å; Y1691-L1745 WeakPolarHBondContact CD1-O 3.44Å; Y1691-L1745 HydrophobicContact CD2-CB 3.84Å; Y1691-L1745 WeakPolarHBondContact CE1-O 3.37Å; Y1691-L1745 HydrophobicContact CG-CB 3.82Å
1692E82Confident76.8Confident71 Ų7152.3 Ų52.333%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-123.8124.7168.7-174.7165-124.800107.2W1677 I1678 R1679 L1689W1677-E1692 VanDerWaalsContact CE3-CD 3.44Å; W1677-E1692 HydrophobicContact CE3-CG 3.44Å; W1677-E1692 VanDerWaalsContact CE3-CG 3.44Å; W1677-E1692 HydrophobicContact CZ3-CG 3.7Å; I1678-E1692 WeakPolarHBondContact O-CA 3.43Å; R1679-E1692 HydrophobicContact CG-CG 4.37Å; R1679-E1692 IonicContact CZ-OE1 2.66Å; R1679-E1692 IonicContact NE-OE1 3.71Å; R1679-E1692 PolarHBondContact NE-OE1 2.97Å; R1679-E1692 IonicContact NH2-OE1 2.76Å; R1679-E1692 PolarHBondContact NH2-OE1 3Å; L1689-E1692 HydrophobicContact CD1-CB 3.95Å; L1689-E1692 HydrophobicContact CD2-CB 3.9Å; L1689-E1692 HydrophobicContact CD2-CG 4.43Å; L1689-E1692 HydrophobicContact CG-CB 4.05Å
1693V81.2Confident76.2Confident9 Ų950.3 Ų50.36%0.05524%0.242CC..EExtended strand (participates in β ladder)trans-115.7117.1167.4172.60000106.7I1678 L1695 L1698 L1743 L1745 L1753I1678-V1693 PolarHBondContact N-O 2.98Å; I1678-V1693 VanDerWaalsContact N-O 3.08Å; I1678-V1693 PolarHBondContact O-N 2.67Å; V1693-L1695 VanDerWaalsContact C-N 3.29Å; V1693-L1695 HydrophobicContact CG1-CD1 4.26Å; V1693-L1695 PolarHBondContact O-N 2.68Å; V1693-L1698 HydrophobicContact CG1-CB 4.04Å; V1693-L1698 HydrophobicContact CG1-CD2 3.73Å; V1693-L1743 HydrophobicContact CG1-CD1 4.2Å; V1693-L1745 HydrophobicContact CB-CD2 4.22Å; V1693-L1745 HydrophobicContact CG2-CD2 3.56Å; V1693-L1753 HydrophobicContact CG2-CD2 4.4Å
1694N82.2Confident75.8Confident46 Ų4657 Ų5725%0.24628%0.276CS..EExtended strand (participates in β ladder)trans-67.895.7161.8-177.5-23.4000106.5W1677 H1696 K1697 L1698W1677-N1694 HydrophobicContact CE3-CB 3.99Å; W1677-N1694 HydrophobicContact CH2-CB 3.92Å; W1677-N1694 HydrophobicContact CZ3-CB 3.51Å; N1694-H1696 VanDerWaalsContact C-N 3.27Å; N1694-H1696 PolarHBondContact O-N 3.16Å; N1694-H1696 PolarHBondContact OD1-N 2.97Å; N1694-K1697 HydrophobicContact CB-CB 4Å; N1694-K1697 PolarHBondContact O-N 2.95Å; N1694-K1697 VanDerWaalsContact O-N 3.12Å; N1694-K1697 PolarHBondContact OD1-N 3.4Å; N1694-L1698 PolarHBondContact O-N 3.02Å
1695L80Confident76Confident0 Ų061 Ų610%028%0.284CS..Hα-helixtrans-68.3-33.5-172.3-162.877.2000111.1Q1676 I1678 V1693 L1699 V1711 I1726 L1743Q1676-L1695 WeakPolarHBondContact O-CB 3Å; Q1676-L1695 PolarHBondContact O-N 3.12Å; I1678-L1695 HydrophobicContact CD1-CD1 4.18Å; I1678-L1695 HydrophobicContact CD1-CD2 4.29Å; V1693-L1695 VanDerWaalsContact C-N 3.29Å; V1693-L1695 HydrophobicContact CG1-CD1 4.26Å; V1693-L1695 PolarHBondContact O-N 2.68Å; L1695-L1699 HydrophobicContact CD1-CD1 4.03Å; L1695-L1699 HydrophobicContact CD1-CG 4.18Å; L1695-L1699 HydrophobicContact CD2-CD1 3.87Å; L1695-L1699 HydrophobicContact CG-CD1 3.62Å; L1695-L1699 HydrophobicContact CG-CG 4.03Å; L1695-L1699 WeakPolarHBondContact O-CB 3.47Å; L1695-L1699 WeakPolarHBondContact O-CG 3.31Å; L1695-L1699 PolarHBondContact O-N 2.68Å; L1695-V1711 HydrophobicContact CD2-CG2 3.29Å; L1695-I1726 HydrophobicContact CD1-CD1 3.5Å; L1695-I1726 VanDerWaalsContact CD1-CD1 3.5Å; L1695-I1726 HydrophobicContact CD2-CD1 4.19Å; L1695-I1726 HydrophobicContact CD2-CG2 3.97Å; L1695-L1743 HydrophobicContact CD1-CD1 3.58Å
1696H80.5Confident75.9Confident25 Ų2562.1 Ų62.112%0.11629%0.294CS..Hα-helixtrans-59.5-44.5170.6-7729.9000111.8Q1676 N1694 K1700 P1709Q1676-H1696 HydrophobicContact CG-CB 4.3Å; N1694-H1696 VanDerWaalsContact C-N 3.27Å; N1694-H1696 PolarHBondContact O-N 3.16Å; N1694-H1696 PolarHBondContact OD1-N 2.97Å; H1696-K1700 VanDerWaalsContact O-CB 3.22Å; H1696-K1700 WeakPolarHBondContact O-CB 3.29Å; H1696-K1700 WeakPolarHBondContact O-CG 3.12Å; H1696-K1700 PolarHBondContact O-N 2.7Å; H1696-K1700 VanDerWaalsContact O-N 3.14Å; H1696-P1709 PolarHBondContact CE1-O 2.95Å; H1696-P1709 PolarHBondContact ND1-O 3.06Å
1697K79.9Confident75.9Confident98 Ų9863.2 Ų63.243%0.42630%0.298SS..Hα-helixtrans-67.6-52.3177.9-172.9178.2-178.5-81.40111.7N1694 L1699 K1700 E1701N1694-K1697 HydrophobicContact CB-CB 4Å; N1694-K1697 PolarHBondContact O-N 2.95Å; N1694-K1697 VanDerWaalsContact O-N 3.12Å; N1694-K1697 PolarHBondContact OD1-N 3.4Å; K1697-L1699 PolarHBondContact O-N 2.9Å; K1697-K1700 PolarHBondContact O-N 2.55Å; K1697-E1701 WeakPolarHBondContact CE-OE1 3.31Å; K1697-E1701 HydrophobicContact CG-CG 4.48Å; K1697-E1701 IonicContact NZ-OE1 2.61Å; K1697-E1701 PolarHBondContact NZ-OE1 2.94Å; K1697-E1701 IonicContact NZ-OE2 2.75Å; K1697-E1701 PolarHBondContact NZ-OE2 2.81Å; K1697-E1701 WeakPolarHBondContact O-CG 3.15Å; K1697-E1701 PolarHBondContact O-N 3.35Å
1698L78.2Confident76.3Confident10 Ų1058.6 Ų58.65%0.05228%0.281CS..Hα-helixtrans-58.5-48.6-175.5175.464000111.8V1693 N1694 E1701 H1702 L1743 L1753 I1754V1693-L1698 HydrophobicContact CG1-CB 4.04Å; V1693-L1698 HydrophobicContact CG1-CD2 3.73Å; N1694-L1698 PolarHBondContact O-N 3.02Å; L1698-E1701 PolarHBondContact O-N 2.84Å; L1698-H1702 PolarHBondContact O-CD2 3.03Å; L1698-H1702 PolarHBondContact O-N 3.01Å; L1698-L1743 HydrophobicContact CD2-CD1 3.67Å; L1698-L1743 HydrophobicContact CD2-CD2 3.76Å; L1698-L1743 HydrophobicContact CD2-CG 4.39Å; L1698-L1753 HydrophobicContact CD1-CB 3.82Å; L1698-L1753 HydrophobicContact CD1-CD1 3.83Å; L1698-L1753 HydrophobicContact CD1-CG 4.45Å; L1698-L1753 HydrophobicContact CD2-CB 3.75Å; L1698-L1753 HydrophobicContact CD2-CD1 4.07Å; L1698-L1753 HydrophobicContact CD2-CG 4.47Å; L1698-L1753 HydrophobicContact CG-CB 4.46Å; L1698-I1754 HydrophobicContact CD2-CG1 4.4Å
1699L78.1Confident76.5Confident0 Ų052.4 Ų52.40%025%0.254CS..Hα-helixtrans-72.6-30.7-177.5-61.3-178.2000111.4L1695 K1697 E1701 H1702 D1703 P1709 Y1728 W1730 T1741 I1754L1695-L1699 HydrophobicContact CD1-CD1 4.03Å; L1695-L1699 HydrophobicContact CD1-CG 4.18Å; L1695-L1699 HydrophobicContact CD2-CD1 3.87Å; L1695-L1699 HydrophobicContact CG-CD1 3.62Å; L1695-L1699 HydrophobicContact CG-CG 4.03Å; L1695-L1699 WeakPolarHBondContact O-CB 3.47Å; L1695-L1699 WeakPolarHBondContact O-CG 3.31Å; L1695-L1699 PolarHBondContact O-N 2.68Å; K1697-L1699 PolarHBondContact O-N 2.9Å; L1699-E1701 VanDerWaalsContact C-N 3.34Å; L1699-E1701 PolarHBondContact O-N 2.98Å; L1699-H1702 CarbonylContact O-C 3.5Å; L1699-H1702 PolarHBondContact O-N 3.22Å; L1699-D1703 VanDerWaalsContact O-CB 3.3Å; L1699-D1703 WeakPolarHBondContact O-CB 3.38Å; L1699-D1703 PolarHBondContact O-N 3.19Å; L1699-D1703 VanDerWaalsContact O-N 3.12Å; L1699-P1709 HydrophobicContact CB-CB 4.43Å; L1699-P1709 HydrophobicContact CB-CG 4.07Å; L1699-P1709 HydrophobicContact CD1-CB 3.8Å; L1699-P1709 HydrophobicContact CD1-CG 3.92Å; L1699-Y1728 HydrophobicContact CD1-CD1 4.05Å; L1699-Y1728 HydrophobicContact CD1-CD2 3.92Å; L1699-Y1728 HydrophobicContact CD1-CE1 3.92Å; L1699-Y1728 HydrophobicContact CD1-CE2 3.77Å; L1699-Y1728 HydrophobicContact CD1-CG 4.05Å; L1699-W1730 HydrophobicContact CB-CH2 3.68Å; L1699-W1730 HydrophobicContact CB-CZ3 3.78Å; L1699-W1730 WeakPolarHBondContact O-CH2 3.3Å; L1699-T1741 HydrophobicContact CD2-CG2 3.84Å; L1699-I1754 HydrophobicContact CD2-CD1 4.12Å
1700K76.7Confident76.7Confident63 Ų6349.3 Ų49.327%0.27424%0.239SC..Hα-helixtrans-61.2-39.5168.2-79.4-177175.9-87.50112.4H1696 K1697 H1702 D1703 C1706 R1707 E1732H1696-K1700 VanDerWaalsContact O-CB 3.22Å; H1696-K1700 WeakPolarHBondContact O-CB 3.29Å; H1696-K1700 WeakPolarHBondContact O-CG 3.12Å; H1696-K1700 PolarHBondContact O-N 2.7Å; H1696-K1700 VanDerWaalsContact O-N 3.14Å; K1697-K1700 PolarHBondContact O-N 2.55Å; K1700-H1702 VanDerWaalsContact C-N 3.26Å; K1700-H1702 PolarHBondContact O-N 3.34Å; K1700-D1703 PolarHBondContact O-N 2.9Å; K1700-C1706 WeakPolarHBondContact CG-O 3.29Å; K1700-C1706 PolarHBondContact NZ-O 2.77Å; K1700-C1706 PolarHBondContact O-SG 3.37Å; K1700-C1706 VanDerWaalsContact O-SG 3.41Å; K1700-R1707 WeakPolarHBondContact CG-O 3.37Å; K1700-E1732 IonicContact NZ-OE1 3.95Å
1701E73.7Confident76.8Confident100 Ų10047.6 Ų47.647%0.46723%0.23SC..Hα-helixtrans-71.5-18179.3-71.1176.7138.400113.6K1697 L1698 L1699K1697-E1701 WeakPolarHBondContact CE-OE1 3.31Å; K1697-E1701 HydrophobicContact CG-CG 4.48Å; K1697-E1701 IonicContact NZ-OE1 2.61Å; K1697-E1701 PolarHBondContact NZ-OE1 2.94Å; K1697-E1701 IonicContact NZ-OE2 2.75Å; K1697-E1701 PolarHBondContact NZ-OE2 2.81Å; K1697-E1701 WeakPolarHBondContact O-CG 3.15Å; K1697-E1701 PolarHBondContact O-N 3.35Å; L1698-E1701 PolarHBondContact O-N 2.84Å; L1699-E1701 VanDerWaalsContact C-N 3.34Å; L1699-E1701 PolarHBondContact O-N 2.98Å
1702H70.2Confident76.6Confident63 Ų6349 Ų4929%0.29224%0.238SC..THydrogen-bonded Turntrans-108.510.9176-74.9-83.3000113.9L1698 L1699 K1700 N1751 I1754L1698-H1702 PolarHBondContact O-CD2 3.03Å; L1698-H1702 PolarHBondContact O-N 3.01Å; L1699-H1702 CarbonylContact O-C 3.5Å; L1699-H1702 PolarHBondContact O-N 3.22Å; K1700-H1702 VanDerWaalsContact C-N 3.26Å; K1700-H1702 PolarHBondContact O-N 3.34Å; H1702-N1751 PolarHBondContact CE1-O 2.9Å; H1702-I1754 HydrophobicContact CB-CD1 3.71Å; H1702-I1754 VanDerWaalsContact CD2-CD1 3.41Å; H1702-I1754 WeakPolarHBondContact CD2-CD1 3.37Å; H1702-I1754 VanDerWaalsContact CG-CD1 3.48Å
1703D69Low76.2Confident15 Ų1551.8 Ų51.88%0.0825%0.246CC..SBendtrans-114123175.9-174.949.7000109.4L1699 K1700 Y1705 C1706 R1707 W1730L1699-D1703 VanDerWaalsContact O-CB 3.3Å; L1699-D1703 WeakPolarHBondContact O-CB 3.38Å; L1699-D1703 PolarHBondContact O-N 3.19Å; L1699-D1703 VanDerWaalsContact O-N 3.12Å; K1700-D1703 PolarHBondContact O-N 2.9Å; D1703-Y1705 PolarHBondContact O-N 2.99Å; D1703-C1706 PolarHBondContact O-N 3.08Å; D1703-C1706 PolarHBondContact OD2-N 3.07Å; D1703-R1707 IonicContact OD1-CZ 2.74Å; D1703-R1707 IonicContact OD1-NE 3.08Å; D1703-R1707 IonicContact OD1-NH2 2.62Å; D1703-R1707 PolarHBondContact OD1-NH2 2.9Å; D1703-R1707 VanDerWaalsContact OD2-CB 3.31Å; D1703-R1707 WeakPolarHBondContact OD2-CB 3.19Å; D1703-R1707 WeakPolarHBondContact OD2-CG 3.41Å; D1703-R1707 IonicContact OD2-CZ 3.63Å; D1703-R1707 PolarHBondContact OD2-N 2.94Å; D1703-R1707 IonicContact OD2-NE 2.69Å; D1703-R1707 PolarHBondContact OD2-NE 3.33Å; D1703-R1707 IonicContact OD2-NH2 3.73Å; D1703-R1707 PolarHBondContact OD2-NH2 3Å; D1703-W1730 HydrophobicContact CB-CH2 3.54Å; D1703-W1730 HydrophobicContact CB-CZ2 3.79Å; D1703-W1730 HydrophobicContact CB-CZ3 4.18Å
1704D68.2Low76.1Confident157 Ų15751.5 Ų51.584%0.8424%0.244SC*.THydrogen-bonded Turntrans-56.1-17.5-178.7-58.6-42.1000113.6
1705Y71.7Confident75.6Confident147 Ų14750.9 Ų50.958%0.57624%0.24SC*.THydrogen-bonded Turntrans-111.82.6-178.2-55.8-91.4000113D1703 R1707D1703-Y1705 PolarHBondContact O-N 2.99Å; Y1705-R1707 VanDerWaalsContact C-N 3.34Å; Y1705-R1707 PolarHBondContact O-N 2.72Å
1706C64Low75.1Confident71 Ų7151.9 Ų51.948%0.4825%0.246SC..  trans49.444.7179.6-69.90000114.3K1700 D1703K1700-C1706 WeakPolarHBondContact CG-O 3.29Å; K1700-C1706 PolarHBondContact NZ-O 2.77Å; K1700-C1706 PolarHBondContact O-SG 3.37Å; K1700-C1706 VanDerWaalsContact O-SG 3.41Å; D1703-C1706 PolarHBondContact O-N 3.08Å; D1703-C1706 PolarHBondContact OD2-N 3.07Å
1707R76.7Confident74.3Confident28 Ų2851.2 Ų51.211%0.10624%0.244CC..PPolyproline II helixtrans-81.7153-174.4-67171.7-73.3-139.8-2.9115K1700 D1703 Y1705 W1730 E1732K1700-R1707 WeakPolarHBondContact CG-O 3.37Å; D1703-R1707 IonicContact OD1-CZ 2.74Å; D1703-R1707 IonicContact OD1-NE 3.08Å; D1703-R1707 IonicContact OD1-NH2 2.62Å; D1703-R1707 PolarHBondContact OD1-NH2 2.9Å; D1703-R1707 VanDerWaalsContact OD2-CB 3.31Å; D1703-R1707 WeakPolarHBondContact OD2-CB 3.19Å; D1703-R1707 WeakPolarHBondContact OD2-CG 3.41Å; D1703-R1707 IonicContact OD2-CZ 3.63Å; D1703-R1707 PolarHBondContact OD2-N 2.94Å; D1703-R1707 IonicContact OD2-NE 2.69Å; D1703-R1707 PolarHBondContact OD2-NE 3.33Å; D1703-R1707 IonicContact OD2-NH2 3.73Å; D1703-R1707 PolarHBondContact OD2-NH2 3Å; Y1705-R1707 VanDerWaalsContact C-N 3.34Å; Y1705-R1707 PolarHBondContact O-N 2.72Å; R1707-W1730 HydrophobicContact CB-CB 4.18Å; R1707-W1730 HydrophobicContact CB-CD2 4.07Å; R1707-W1730 HydrophobicContact CB-CE3 3.77Å; R1707-W1730 HydrophobicContact CB-CG 4.29Å; R1707-W1730 HydrophobicContact CB-CZ3 4.47Å; R1707-W1730 VanDerWaalsContact O-CZ3 3.24Å; R1707-W1730 WeakPolarHBondContact O-CZ3 3.25Å; R1707-E1732 WeakPolarHBondContact CA-OE2 3.27Å; R1707-E1732 HydrophobicContact CB-CB 4.12Å; R1707-E1732 HydrophobicContact CG-CB 3.87Å; R1707-E1732 WeakPolarHBondContact CG-OE2 3.13Å
1708T76.7Confident73.4Confident33 Ų3352.4 Ų52.420%0.20225%0.251CS..PPolyproline II helixtrans-74.3129.9173.449.70000112.2W1730 L1731 E1732T1708-W1730 CarbonylContact O-C 3.57Å; T1708-W1730 WeakPolarHBondContact O-CA 3.06Å; T1708-L1731 PolarHBondContact O-N 2.65Å; T1708-L1731 WeakPolarHBondContact OG1-CB 3.36Å; T1708-E1732 VanDerWaalsContact CB-OE1 3.28Å; T1708-E1732 WeakPolarHBondContact CB-OE1 3.37Å; T1708-E1732 WeakPolarHBondContact CG2-OE1 3.21Å; T1708-E1732 PolarHBondContact N-OE1 2.93Å; T1708-E1732 PolarHBondContact OG1-OE1 2.88Å
1709P81.4Confident72.4Confident0 Ų056.5 Ų56.50%028%0.276CS..EExtended strand (participates in β ladder)trans-96.4124.3177.635.7-34.6000112.8H1696 L1699 Y1728 I1729 W1730H1696-P1709 PolarHBondContact CE1-O 2.95Å; H1696-P1709 PolarHBondContact ND1-O 3.06Å; L1699-P1709 HydrophobicContact CB-CB 4.43Å; L1699-P1709 HydrophobicContact CB-CG 4.07Å; L1699-P1709 HydrophobicContact CD1-CB 3.8Å; L1699-P1709 HydrophobicContact CD1-CG 3.92Å; P1709-Y1728 HydrophobicContact CB-CD2 3.58Å; P1709-Y1728 HydrophobicContact CB-CE2 4.16Å; P1709-Y1728 HydrophobicContact CB-CG 4.32Å; P1709-I1729 CarbonylContact C-O 3.54Å; P1709-W1730 HydrophobicContact CB-CE3 3.98Å; P1709-W1730 HydrophobicContact CB-CZ3 3.99Å; P1709-W1730 HydrophobicContact CG-CZ3 4.4Å
1710S81.1Confident71.7Confident12 Ų1260.6 Ų60.68%0.08430%0.295CS..EExtended strand (participates in β ladder)trans-89.9117.9162.9171.60000111Y1674 Q1712 Y1728 I1729Y1674-S1710 WeakPolarHBondContact O-CA 3.46Å; S1710-Q1712 PolarHBondContact O-N 2.9Å; S1710-Q1712 PolarHBondContact OG-NE2 2.92Å; S1710-Y1728 CarbonylContact O-C 3.52Å; S1710-Y1728 VanDerWaalsContact O-CA 3.24Å; S1710-Y1728 WeakPolarHBondContact O-CA 3.25Å; S1710-Y1728 WeakPolarHBondContact O-CB 3.48Å; S1710-I1729 PolarHBondContact N-O 3.24Å; S1710-I1729 PolarHBondContact O-N 3.04Å
1711V80.2Confident71.2Confident5 Ų558.4 Ų58.43%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-74.1125.3170.4-176.30000109.1I1655 Y1674 L1695 I1726I1655-V1711 HydrophobicContact CD1-CB 4.08Å; I1655-V1711 HydrophobicContact CD1-CG1 4.49Å; Y1674-V1711 PolarHBondContact O-N 2.91Å; L1695-V1711 HydrophobicContact CD2-CG2 3.29Å; V1711-I1726 HydrophobicContact CG1-CG2 3.92Å; V1711-I1726 HydrophobicContact CG2-CG2 3.98Å
1712Q77.5Confident71.1Confident75 Ų7554.9 Ų54.935%0.3527%0.273SS..EExtended strand (participates in β ladder)trans-94.7-36.3173.7-68.5-61.6-50.800111.7Y1038 S1710 Q1727 I1729Y1038-Q1712 PolarHBondContact OH-NE2 2.89Å; Y1038-Q1712 PolarHBondContact OH-OE1 3.11Å; Y1038-Q1712 VanDerWaalsContact OH-OE1 3.09Å; S1710-Q1712 PolarHBondContact O-N 2.9Å; S1710-Q1712 PolarHBondContact OG-NE2 2.92Å; Q1712-Q1727 PolarHBondContact N-O 3.05Å; Q1712-I1729 HydrophobicContact CG-CD1 3.46Å; Q1712-I1729 VanDerWaalsContact CG-CD1 3.46Å; Q1712-I1729 HydrophobicContact CG-CG1 4.08Å
1713R73.3Confident71.3Confident130 Ų13053.6 Ų53.649%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-154.3141.1-177-167.1169.6-177151.24.9111.9F1715 Q1727R1713-F1715 HydrophobicContact CB-CE2 4.26Å; R1713-F1715 HydrophobicContact CG-CD2 4.36Å; R1713-F1715 HydrophobicContact CG-CE2 3.98Å; R1713-F1715 HydrophobicContact CG-CZ 4.2Å; R1713-Q1727 HydrophobicContact CB-CB 4.11Å; R1713-Q1727 PolarHBondContact N-O 3.42Å; R1713-Q1727 PolarHBondContact O-N 3.42Å
1714L79Confident71.7Confident4 Ų452.9 Ų52.92%0.02126%0.262CS..EExtended strand (participates in β ladder)trans-97135.2170.7-169.271000109.3V1668 C1670 I1678 T1716 V1724V1668-L1714 HydrophobicContact CB-CD2 4.49Å; V1668-L1714 HydrophobicContact CG1-CD2 4.07Å; V1668-L1714 WeakPolarHBondContact O-CD2 3.35Å; C1670-L1714 HydrophobicContact CB-CD1 4.37Å; C1670-L1714 HydrophobicContact CB-CD2 4.43Å; I1678-L1714 HydrophobicContact CD1-CD1 3.91Å; L1714-T1716 HydrophobicContact CD2-CG2 4.27Å; L1714-T1716 HydrophobicContact CG-CG2 4.32Å; L1714-V1724 HydrophobicContact CD1-CG1 3.38Å; L1714-V1724 HydrophobicContact CG-CG1 4.35Å
1715F72.1Confident72Confident33 Ų3346 Ų4615%0.14523%0.225CC..EExtended strand (participates in β ladder)trans-123.8133.4166.9-63.8-91.4000109.2R1713 I1725 Q1727 L1779R1713-F1715 HydrophobicContact CB-CE2 4.26Å; R1713-F1715 HydrophobicContact CG-CD2 4.36Å; R1713-F1715 HydrophobicContact CG-CE2 3.98Å; R1713-F1715 HydrophobicContact CG-CZ 4.2Å; F1715-I1725 WeakPolarHBondContact CA-O 3.23Å; F1715-I1725 HydrophobicContact CB-CB 3.96Å; F1715-I1725 HydrophobicContact CB-CG2 4.2Å; F1715-I1725 WeakPolarHBondContact CB-O 3.45Å; F1715-I1725 HydrophobicContact CD2-CG2 4.5Å; F1715-I1725 PolarHBondContact N-O 3.27Å; F1715-I1725 PolarHBondContact O-N 3.22Å; F1715-I1725 VanDerWaalsContact O-O 3.08Å; F1715-Q1727 HydrophobicContact CE2-CB 4.11Å; F1715-L1779 HydrophobicContact CZ-CB 4.46Å
1716T68.5Low72.3Confident21 Ų2139 Ų3913%0.12920%0.198CC..EExtended strand (participates in β ladder)trans-118.2140.6-172.544.70000111I1661 V1668 L1714I1661-T1716 HydrophobicContact CD1-CG2 4.21Å; I1661-T1716 HydrophobicContact CG2-CG2 4.37Å; V1668-T1716 HydrophobicContact CB-CG2 3.84Å; V1668-T1716 HydrophobicContact CG1-CG2 4.14Å; V1668-T1716 HydrophobicContact CG2-CG2 4.23Å; L1714-T1716 HydrophobicContact CD2-CG2 4.27Å; L1714-T1716 HydrophobicContact CG-CG2 4.32Å
1717C64.5Low72.8Confident11 Ų1136.7 Ų36.77%0.07418%0.18CC..  trans-93.8116172.8-176.20000110.2V1719 Q1720C1717-V1719 PolarHBondContact O-N 3.45Å; C1717-Q1720 CarbonylContact O-C 3.52Å; C1717-Q1720 PolarHBondContact O-N 3.45Å; C1717-Q1720 PolarHBondContact SG-N 2.89Å; C1717-Q1720 VanDerWaalsContact SG-N 3.45Å
1718E60.4Low72.9Confident123 Ų12335.3 Ų35.358%0.57518%0.175SC*.SBendtrans-63.2-27178.6-66.9-170.3150.400113.5Y1662Y1662-E1718 VanDerWaalsContact CD2-O 3.25Å; Y1662-E1718 WeakPolarHBondContact CD2-O 3.5Å
1719V57.3Low73Confident95 Ų9534.1 Ų34.158%0.57617%0.167SC*.SBendtrans-87.5-34-177.9-177.20000112C1717 Y1773C1717-V1719 PolarHBondContact O-N 3.45Å; V1719-Y1773 WeakPolarHBondContact CG2-OH 3.35Å
1720Q64.5Low72.9Confident86 Ų8634.4 Ų34.440%0.40217%0.168SC..  trans-125.381.2178.8-69.6-175.2-9.500109.1C1717 T1722 K1723C1717-Q1720 CarbonylContact O-C 3.52Å; C1717-Q1720 PolarHBondContact O-N 3.45Å; C1717-Q1720 PolarHBondContact SG-N 2.89Å; C1717-Q1720 VanDerWaalsContact SG-N 3.45Å; Q1720-T1722 PolarHBondContact O-N 2.79Å; Q1720-T1722 VanDerWaalsContact O-N 3.15Å; Q1720-K1723 HydrophobicContact CB-CB 4.2Å; Q1720-K1723 HydrophobicContact CB-CD 4.46Å; Q1720-K1723 HydrophobicContact CB-CG 4.26Å; Q1720-K1723 WeakPolarHBondContact O-CA 3.43Å; Q1720-K1723 PolarHBondContact O-N 2.91Å
1721P64.2Low72.3Confident17 Ų1737.3 Ų37.311%0.1118%0.183CC..THydrogen-bonded Turntrans-68.7-14-171.827.1-35.6000114.2I1661 Y1662 Y1666 K1723I1661-P1721 HydrophobicContact CD1-CB 3.58Å; I1661-P1721 HydrophobicContact CG1-CB 4.17Å; Y1662-P1721 HydrophobicContact CD2-CG 3.76Å; Y1662-P1721 HydrophobicContact CE2-CG 4.39Å; Y1662-P1721 HydrophobicContact CG-CG 4.21Å; Y1666-P1721 HydrophobicContact CD2-CB 3.81Å; Y1666-P1721 HydrophobicContact CD2-CG 3.85Å; Y1666-P1721 HydrophobicContact CE2-CB 4.39Å; Y1666-P1721 HydrophobicContact CE2-CG 3.92Å; P1721-K1723 VanDerWaalsContact C-N 3.32Å
1722T73.5Confident71.7Confident27 Ų2741.6 Ų41.617%0.16620%0.202CC..THydrogen-bonded Turntrans-78.7-1716964.30000112.7M1680 Y1691 Q1720 D1744 L1745M1680-T1722 HydrophobicContact CE-CG2 4.4Å; Y1691-T1722 HydrophobicContact CD2-CG2 4.36Å; Y1691-T1722 HydrophobicContact CE2-CG2 3.75Å; Q1720-T1722 PolarHBondContact O-N 2.79Å; Q1720-T1722 VanDerWaalsContact O-N 3.15Å; T1722-D1744 WeakPolarHBondContact CB-OD1 3.23Å; T1722-D1744 PolarHBondContact OG1-OD1 3.2Å; T1722-L1745 WeakPolarHBondContact O-CG 3.47Å; T1722-L1745 PolarHBondContact O-N 2.8Å
1723K74Confident71Confident35 Ų3539.3 Ų39.315%0.15219%0.192CC..EExtended strand (participates in β ladder)trans-91.3119.8175-67.6-165-168.5169.20111.3Q1720 P1721 L1743 D1744 I1755Q1720-K1723 HydrophobicContact CB-CB 4.2Å; Q1720-K1723 HydrophobicContact CB-CD 4.46Å; Q1720-K1723 HydrophobicContact CB-CG 4.26Å; Q1720-K1723 WeakPolarHBondContact O-CA 3.43Å; Q1720-K1723 PolarHBondContact O-N 2.91Å; P1721-K1723 VanDerWaalsContact C-N 3.32Å; K1723-L1743 VanDerWaalsContact CA-O 3.26Å; K1723-L1743 WeakPolarHBondContact CA-O 3.31Å; K1723-D1744 WeakPolarHBondContact CE-OD2 3.44Å; K1723-D1744 HydrophobicContact CG-CB 4.29Å; K1723-I1755 HydrophobicContact CD-CD1 3.57Å; K1723-I1755 HydrophobicContact CG-CD1 4.15Å
1724V76.5Confident69.5Low0 Ų036.8 Ų36.80%019%0.185CC..EExtended strand (participates in β ladder)trans-123.7128-176-1750000108.7V1668 I1678 L1714 I1726 L1743 L1745V1668-V1724 HydrophobicContact CG1-CG2 3.95Å; I1678-V1724 HydrophobicContact CD1-CG1 4.23Å; L1714-V1724 HydrophobicContact CD1-CG1 3.38Å; L1714-V1724 HydrophobicContact CG-CG1 4.35Å; V1724-I1726 HydrophobicContact CG1-CG1 3.85Å; V1724-L1743 PolarHBondContact N-O 3.06Å; V1724-L1743 PolarHBondContact O-N 3.18Å; V1724-L1745 HydrophobicContact CG2-CD1 3.83Å; V1724-L1745 HydrophobicContact CG2-CG 4.18Å
1725I74.5Confident68.1Low12 Ų1237.3 Ų37.36%0.06219%0.188CC..EExtended strand (participates in β ladder)trans-101.8117.5178.6-64.1167000106.6F1715 I1740 V1742 V1767 I1775 L1781F1715-I1725 WeakPolarHBondContact CA-O 3.23Å; F1715-I1725 HydrophobicContact CB-CB 3.96Å; F1715-I1725 HydrophobicContact CB-CG2 4.2Å; F1715-I1725 WeakPolarHBondContact CB-O 3.45Å; F1715-I1725 HydrophobicContact CD2-CG2 4.5Å; F1715-I1725 PolarHBondContact N-O 3.27Å; F1715-I1725 PolarHBondContact O-N 3.22Å; F1715-I1725 VanDerWaalsContact O-O 3.08Å; I1725-I1740 HydrophobicContact CG2-CG2 3.81Å; I1725-V1742 HydrophobicContact CG1-CG2 4.43Å; I1725-V1767 HydrophobicContact CD1-CG1 3.7Å; I1725-V1767 HydrophobicContact CG1-CG1 3.97Å; I1725-I1775 HydrophobicContact CG2-CD1 3.93Å; I1725-L1781 HydrophobicContact CD1-CD1 3.92Å; I1725-L1781 HydrophobicContact CD1-CD2 4.49Å
1726I78.8Confident66.9Low0 Ų037.7 Ų37.70%020%0.195CC..EExtended strand (participates in β ladder)trans-115.7119.8-168-50.3165000109.2I1678 L1695 V1711 V1724 Y1728 I1740 T1741 L1743I1678-I1726 HydrophobicContact CD1-CD1 3.31Å; I1678-I1726 HydrophobicContact CD1-CG1 3.66Å; I1678-I1726 HydrophobicContact CD1-CG2 4.43Å; L1695-I1726 HydrophobicContact CD1-CD1 3.5Å; L1695-I1726 VanDerWaalsContact CD1-CD1 3.5Å; L1695-I1726 HydrophobicContact CD2-CD1 4.19Å; L1695-I1726 HydrophobicContact CD2-CG2 3.97Å; V1711-I1726 HydrophobicContact CG1-CG2 3.92Å; V1711-I1726 HydrophobicContact CG2-CG2 3.98Å; V1724-I1726 HydrophobicContact CG1-CG1 3.85Å; I1726-Y1728 HydrophobicContact CG2-CD1 4.39Å; I1726-I1740 WeakPolarHBondContact O-CA 3.22Å; I1726-T1741 PolarHBondContact N-O 3.18Å; I1726-T1741 PolarHBondContact O-N 3Å; I1726-L1743 HydrophobicContact CD1-CD1 3.53Å; I1726-L1743 HydrophobicContact CD1-CG 3.71Å
1727Q75Confident66.4Low23 Ų2340 Ų4011%0.10721%0.209CC..EExtended strand (participates in β ladder)trans-90.8108.3170.2-179.5-171.7-10.900108.5Q1712 R1713 F1715 L1738Q1712-Q1727 PolarHBondContact N-O 3.05Å; R1713-Q1727 HydrophobicContact CB-CB 4.11Å; R1713-Q1727 PolarHBondContact N-O 3.42Å; R1713-Q1727 PolarHBondContact O-N 3.42Å; F1715-Q1727 HydrophobicContact CE2-CB 4.11Å; Q1727-L1738 HydrophobicContact CG-CD2 4.03Å; Q1727-L1738 VanDerWaalsContact NE2-CD1 3.33Å
1728Y78.4Confident66.3Low0 Ų041.6 Ų41.60%022%0.217CC..EExtended strand (participates in β ladder)trans-130.3161178.773.2-79.6000112.3L1699 P1709 S1710 I1726 W1730 N1739 T1741L1699-Y1728 HydrophobicContact CD1-CD1 4.05Å; L1699-Y1728 HydrophobicContact CD1-CD2 3.92Å; L1699-Y1728 HydrophobicContact CD1-CE1 3.92Å; L1699-Y1728 HydrophobicContact CD1-CE2 3.77Å; L1699-Y1728 HydrophobicContact CD1-CG 4.05Å; P1709-Y1728 HydrophobicContact CB-CD2 3.58Å; P1709-Y1728 HydrophobicContact CB-CE2 4.16Å; P1709-Y1728 HydrophobicContact CB-CG 4.32Å; S1710-Y1728 CarbonylContact O-C 3.52Å; S1710-Y1728 VanDerWaalsContact O-CA 3.24Å; S1710-Y1728 WeakPolarHBondContact O-CA 3.25Å; S1710-Y1728 WeakPolarHBondContact O-CB 3.48Å; I1726-Y1728 HydrophobicContact CG2-CD1 4.39Å; Y1728-W1730 AromaticContact CE2-CD2 3.96Å; Y1728-W1730 HydrophobicContact CE2-CD2 3.96Å; Y1728-W1730 AromaticContact CE2-CE2 3.71Å; Y1728-W1730 HydrophobicContact CE2-CE3 4.09Å; Y1728-W1730 AromaticContact CE2-CH2 3.81Å; Y1728-W1730 HydrophobicContact CE2-CH2 3.81Å; Y1728-W1730 AromaticContact CE2-CZ2 3.65Å; Y1728-W1730 HydrophobicContact CE2-CZ2 3.65Å; Y1728-W1730 HydrophobicContact CE2-CZ3 4.03Å; Y1728-N1739 HydrophobicContact CD1-CB 4.13Å; Y1728-N1739 WeakPolarHBondContact CD1-O 3.39Å; Y1728-N1739 HydrophobicContact CD2-CB 4.42Å; Y1728-N1739 HydrophobicContact CE1-CB 3.59Å; Y1728-N1739 HydrophobicContact CE2-CB 3.93Å; Y1728-N1739 VanDerWaalsContact CZ-CB 3.48Å; Y1728-N1739 PolarHBondContact N-O 3.19Å; Y1728-N1739 VanDerWaalsContact N-O 3.1Å; Y1728-N1739 PolarHBondContact O-N 3.09Å; Y1728-T1741 HydrophobicContact CE1-CG2 3.78Å; Y1728-T1741 VanDerWaalsContact CE1-OG1 3.29Å; Y1728-T1741 WeakPolarHBondContact CE1-OG1 3.35Å
1729I77.7Confident66.9Low8 Ų836.5 Ų36.54%0.04119%0.193CC..EExtended strand (participates in β ladder)trans-123.9139.1174-62.9160.5000106.1Y1038 P1709 S1710 Q1712 L1731 S1736 L1738Y1038-I1729 HydrophobicContact CE1-CD1 4.16Å; Y1038-I1729 HydrophobicContact CE2-CD1 4.2Å; Y1038-I1729 WeakPolarHBondContact OH-CD1 3.32Å; P1709-I1729 CarbonylContact C-O 3.54Å; S1710-I1729 PolarHBondContact N-O 3.24Å; S1710-I1729 PolarHBondContact O-N 3.04Å; Q1712-I1729 HydrophobicContact CG-CD1 3.46Å; Q1712-I1729 VanDerWaalsContact CG-CD1 3.46Å; Q1712-I1729 HydrophobicContact CG-CG1 4.08Å; I1729-L1731 PolarHBondContact O-N 3.24Å; I1729-S1736 VanDerWaalsContact CD1-CB 3.4Å; I1729-L1738 HydrophobicContact CD1-CD2 4.04Å; I1729-L1738 HydrophobicContact CG1-CD2 3.75Å
1730W79.4Confident67.7Low6 Ų632.2 Ų32.22%0.02317%0.167CC..EExtended strand (participates in β ladder)trans-69.8122.1166.5-55.6112000108.6L1699 D1703 R1707 T1708 P1709 Y1728 E1732 Q1733 N1739L1699-W1730 HydrophobicContact CB-CH2 3.68Å; L1699-W1730 HydrophobicContact CB-CZ3 3.78Å; L1699-W1730 WeakPolarHBondContact O-CH2 3.3Å; D1703-W1730 HydrophobicContact CB-CH2 3.54Å; D1703-W1730 HydrophobicContact CB-CZ2 3.79Å; D1703-W1730 HydrophobicContact CB-CZ3 4.18Å; R1707-W1730 HydrophobicContact CB-CB 4.18Å; R1707-W1730 HydrophobicContact CB-CD2 4.07Å; R1707-W1730 HydrophobicContact CB-CE3 3.77Å; R1707-W1730 HydrophobicContact CB-CG 4.29Å; R1707-W1730 HydrophobicContact CB-CZ3 4.47Å; R1707-W1730 VanDerWaalsContact O-CZ3 3.24Å; R1707-W1730 WeakPolarHBondContact O-CZ3 3.25Å; T1708-W1730 CarbonylContact O-C 3.57Å; T1708-W1730 WeakPolarHBondContact O-CA 3.06Å; P1709-W1730 HydrophobicContact CB-CE3 3.98Å; P1709-W1730 HydrophobicContact CB-CZ3 3.99Å; P1709-W1730 HydrophobicContact CG-CZ3 4.4Å; Y1728-W1730 AromaticContact CE2-CD2 3.96Å; Y1728-W1730 HydrophobicContact CE2-CD2 3.96Å; Y1728-W1730 AromaticContact CE2-CE2 3.71Å; Y1728-W1730 HydrophobicContact CE2-CE3 4.09Å; Y1728-W1730 AromaticContact CE2-CH2 3.81Å; Y1728-W1730 HydrophobicContact CE2-CH2 3.81Å; Y1728-W1730 AromaticContact CE2-CZ2 3.65Å; Y1728-W1730 HydrophobicContact CE2-CZ2 3.65Å; Y1728-W1730 HydrophobicContact CE2-CZ3 4.03Å; W1730-E1732 PolarHBondContact O-N 3.44Å; W1730-Q1733 HydrophobicContact CB-CB 4.08Å; W1730-Q1733 HydrophobicContact CB-CG 3.88Å; W1730-Q1733 HydrophobicContact CG-CG 4.4Å; W1730-Q1733 PolarHBondContact O-N 2.85Å; W1730-N1739 PolarHBondContact NE1-ND2 3.36Å
1731L68.7Low68.3Low73 Ų7328.1 Ų28.138%0.38215%0.148SC..THydrogen-bonded Turntrans-56.8-32.1176.5-75.5162.5000111.6Y1674 T1708 I1729 Q1733Y1674-L1731 HydrophobicContact CD1-CD1 4.01Å; Y1674-L1731 HydrophobicContact CD1-CD2 3.87Å; Y1674-L1731 HydrophobicContact CD2-CD1 3.76Å; Y1674-L1731 HydrophobicContact CE1-CD1 4.39Å; Y1674-L1731 HydrophobicContact CE1-CD2 3.98Å; Y1674-L1731 HydrophobicContact CE2-CD1 4.17Å; Y1674-L1731 HydrophobicContact CG-CD1 3.67Å; Y1674-L1731 HydrophobicContact CG-CD2 4.38Å; T1708-L1731 PolarHBondContact O-N 2.65Å; T1708-L1731 WeakPolarHBondContact OG1-CB 3.36Å; I1729-L1731 PolarHBondContact O-N 3.24Å; L1731-Q1733 PolarHBondContact O-N 2.96Å
1732E68.7Low68.8Low94 Ų9427.4 Ų27.444%0.43914%0.143SC..THydrogen-bonded Turntrans-84.225176.1-63.7151.7-125.900112.3K1700 R1707 T1708 W1730K1700-E1732 IonicContact NZ-OE1 3.95Å; R1707-E1732 WeakPolarHBondContact CA-OE2 3.27Å; R1707-E1732 HydrophobicContact CB-CB 4.12Å; R1707-E1732 HydrophobicContact CG-CB 3.87Å; R1707-E1732 WeakPolarHBondContact CG-OE2 3.13Å; T1708-E1732 VanDerWaalsContact CB-OE1 3.28Å; T1708-E1732 WeakPolarHBondContact CB-OE1 3.37Å; T1708-E1732 WeakPolarHBondContact CG2-OE1 3.21Å; T1708-E1732 PolarHBondContact N-OE1 2.93Å; T1708-E1732 PolarHBondContact OG1-OE1 2.88Å; W1730-E1732 PolarHBondContact O-N 3.44Å
1733Q61.1Low68.9Low28 Ų2826.1 Ų26.113%0.13114%0.136CC..  trans-138.7117.8169-72.6-167.8-2.500111W1730 L1731 T1737W1730-Q1733 HydrophobicContact CB-CB 4.08Å; W1730-Q1733 HydrophobicContact CB-CG 3.88Å; W1730-Q1733 HydrophobicContact CG-CG 4.4Å; W1730-Q1733 PolarHBondContact O-N 2.85Å; L1731-Q1733 PolarHBondContact O-N 2.96Å; Q1733-T1737 PolarHBondContact OE1-OG1 2.95Å
1734E43.2Very low69.1Low77 Ų7725.6 Ų25.636%0.3613%0.134SC..SBendtrans-84.7-15.2-172.1-35.4104.1130.500115.4N1015 K1016N1015-E1734 WeakPolarHBondContact CA-OE1 3.5Å; N1015-E1734 PolarHBondContact N-OE1 2.95Å; N1015-E1734 VanDerWaalsContact N-OE1 3.16Å; N1015-E1734 PolarHBondContact N-OE2 3.31Å; K1016-E1734 HydrophobicContact CB-CB 4.06Å; K1016-E1734 WeakPolarHBondContact CB-OE2 3.45Å; K1016-E1734 WeakPolarHBondContact CG-OE2 3.46Å; K1016-E1734 PolarHBondContact N-OE2 2.55Å
1735N48.5Very low69.1Low14 Ų1425.7 Ų25.78%0.07514%0.135CC..SBendtrans-84.1118.2156.2-72.2-25.5000106.9T1010 K1016 K1017 T1737T1010-N1735 PolarHBondContact O-ND2 2.95Å; K1016-N1735 HydrophobicContact CB-CB 4.09Å; K1016-N1735 VanDerWaalsContact CB-N 3.3Å; K1016-N1735 HydrophobicContact CD-CB 3.83Å; K1016-N1735 VanDerWaalsContact CD-N 3.28Å; K1017-N1735 PolarHBondContact N-OD1 2.98Å; K1017-N1735 PolarHBondContact O-OD1 2.88Å; N1735-T1737 PolarHBondContact O-N 2.95Å
1736S46.9Very low69Low41 Ų4131.4 Ų31.429%0.28716%0.159SC..  trans-72.962.8170.942.90000112.1Y1038 I1729 L1738Y1038-S1736 WeakPolarHBondContact CD2-OG 3.4Å; I1729-S1736 VanDerWaalsContact CD1-CB 3.4Å; S1736-L1738 PolarHBondContact O-N 2.83Å
1737T58.8Low68.4Low70 Ų7034.7 Ų34.743%0.42918%0.177SC..  trans-59.410616046.80000107.3Q1733 N1735 N1739Q1733-T1737 PolarHBondContact OE1-OG1 2.95Å; N1735-T1737 PolarHBondContact O-N 2.95Å; T1737-N1739 PolarHBondContact O-N 2.87Å
1738L61.4Low67.5Low44 Ų4441.2 Ų41.223%0.2321%0.205CC..PPolyproline II helixtrans-66.9117.5-179.2-63.9176.2000108.4Q1727 I1729 S1736 I1760 L1779Q1727-L1738 HydrophobicContact CG-CD2 4.03Å; Q1727-L1738 VanDerWaalsContact NE2-CD1 3.33Å; I1729-L1738 HydrophobicContact CD1-CD2 4.04Å; I1729-L1738 HydrophobicContact CG1-CD2 3.75Å; S1736-L1738 PolarHBondContact O-N 2.83Å; L1738-I1760 HydrophobicContact CB-CD1 3.54Å; L1738-I1760 WeakPolarHBondContact O-CD1 3.39Å; L1738-I1760 PolarHBondContact O-N 3.07Å; L1738-L1779 HydrophobicContact CD1-CD1 3.57Å; L1738-L1779 HydrophobicContact CD1-CD2 4.49Å
1739N73.9Confident66Low16 Ų1649.3 Ų49.39%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-96.3134.5173.5-64.6-41.4000108.2Y1728 W1730 T1737Y1728-N1739 HydrophobicContact CD1-CB 4.13Å; Y1728-N1739 WeakPolarHBondContact CD1-O 3.39Å; Y1728-N1739 HydrophobicContact CD2-CB 4.42Å; Y1728-N1739 HydrophobicContact CE1-CB 3.59Å; Y1728-N1739 HydrophobicContact CE2-CB 3.93Å; Y1728-N1739 VanDerWaalsContact CZ-CB 3.48Å; Y1728-N1739 PolarHBondContact N-O 3.19Å; Y1728-N1739 VanDerWaalsContact N-O 3.1Å; Y1728-N1739 PolarHBondContact O-N 3.09Å; W1730-N1739 PolarHBondContact NE1-ND2 3.36Å; T1737-N1739 PolarHBondContact O-N 2.87Å
1740I72.9Confident64.5Low5 Ų555.1 Ų55.13%0.02627%0.274CS..EExtended strand (participates in β ladder)trans-102.9124.4165.9-70.8172.1000107.5I1725 I1726 V1742 Q1757 M1758 I1760 I1775I1725-I1740 HydrophobicContact CG2-CG2 3.81Å; I1726-I1740 WeakPolarHBondContact O-CA 3.22Å; I1740-V1742 HydrophobicContact CG2-CG2 4.3Å; I1740-Q1757 WeakPolarHBondContact O-CA 3.48Å; I1740-M1758 HydrophobicContact CB-CG 3.82Å; I1740-M1758 HydrophobicContact CG2-CG 4.06Å; I1740-M1758 HydrophobicContact CG2-SD 4.33Å; I1740-M1758 PolarHBondContact N-O 2.76Å; I1740-M1758 PolarHBondContact O-N 2.74Å; I1740-I1760 HydrophobicContact CD1-CD1 3.61Å; I1740-I1760 HydrophobicContact CD1-CG1 3.6Å; I1740-I1760 HydrophobicContact CG1-CD1 3.69Å; I1740-I1760 HydrophobicContact CG1-CG1 4.03Å; I1740-I1775 HydrophobicContact CD1-CD1 3.75Å; I1740-I1775 HydrophobicContact CD1-CG2 4.22Å
1741T77.1Confident63Low0 Ų060.4 Ų60.40%030%0.302CS..EExtended strand (participates in β ladder)trans-108.2136.6157.938.10000110L1699 I1726 Y1728 I1754 S1756 Q1757L1699-T1741 HydrophobicContact CD2-CG2 3.84Å; I1726-T1741 PolarHBondContact N-O 3.18Å; I1726-T1741 PolarHBondContact O-N 3Å; Y1728-T1741 HydrophobicContact CE1-CG2 3.78Å; Y1728-T1741 VanDerWaalsContact CE1-OG1 3.29Å; Y1728-T1741 WeakPolarHBondContact CE1-OG1 3.35Å; T1741-I1754 HydrophobicContact CG2-CD1 4.35Å; T1741-I1754 HydrophobicContact CG2-CG2 4.33Å; T1741-S1756 WeakPolarHBondContact CA-O 3.17Å; T1741-Q1757 HydrophobicContact CG2-CB 3.83Å; T1741-Q1757 HydrophobicContact CG2-CG 3.71Å
1742V74.7Confident62.3Low3 Ų363.8 Ų63.82%0.01832%0.316CS..EExtended strand (participates in β ladder)trans-100.7103.1168.2-170.80000106.6I1725 I1740 I1755 S1756 V1767I1725-V1742 HydrophobicContact CG1-CG2 4.43Å; I1740-V1742 HydrophobicContact CG2-CG2 4.3Å; V1742-I1755 HydrophobicContact CB-CB 4.35Å; V1742-I1755 HydrophobicContact CG1-CB 4.3Å; V1742-I1755 HydrophobicContact CG1-CD1 4.11Å; V1742-I1755 PolarHBondContact O-N 2.85Å; V1742-S1756 VanDerWaalsContact CG2-OG 3.31Å; V1742-S1756 WeakPolarHBondContact CG2-OG 3.13Å; V1742-S1756 PolarHBondContact N-O 3.15Å; V1742-V1767 HydrophobicContact CG2-CG1 3.38Å
1743L76.1Confident62.1Low0 Ų060.7 Ų60.70%030%0.303CS..EExtended strand (participates in β ladder)trans-93.7141.3174.7-57.1-167.7000110.1V1693 L1695 L1698 K1723 V1724 I1726 L1753 I1754V1693-L1743 HydrophobicContact CG1-CD1 4.2Å; L1695-L1743 HydrophobicContact CD1-CD1 3.58Å; L1698-L1743 HydrophobicContact CD2-CD1 3.67Å; L1698-L1743 HydrophobicContact CD2-CD2 3.76Å; L1698-L1743 HydrophobicContact CD2-CG 4.39Å; K1723-L1743 VanDerWaalsContact CA-O 3.26Å; K1723-L1743 WeakPolarHBondContact CA-O 3.31Å; V1724-L1743 PolarHBondContact N-O 3.06Å; V1724-L1743 PolarHBondContact O-N 3.18Å; I1726-L1743 HydrophobicContact CD1-CD1 3.53Å; I1726-L1743 HydrophobicContact CD1-CG 3.71Å; L1743-L1753 WeakPolarHBondContact CA-O 3.34Å; L1743-I1754 HydrophobicContact CD2-CB 4.28Å; L1743-I1754 HydrophobicContact CD2-CD1 4.49Å; L1743-I1754 HydrophobicContact CD2-CG1 3.69Å
1744D79.2Confident62.2Low24 Ų2460.8 Ų60.813%0.12830%0.304CS..EExtended strand (participates in β ladder)trans-103111.3155.5-153.5-38.6000108.4T1722 K1723 K1746 L1753 I1755T1722-D1744 WeakPolarHBondContact CB-OD1 3.23Å; T1722-D1744 PolarHBondContact OG1-OD1 3.2Å; K1723-D1744 WeakPolarHBondContact CE-OD2 3.44Å; K1723-D1744 HydrophobicContact CG-CB 4.29Å; D1744-K1746 PolarHBondContact O-N 2.98Å; D1744-K1746 WeakPolarHBondContact OD1-CB 3.41Å; D1744-K1746 PolarHBondContact OD1-N 2.93Å; D1744-L1753 PolarHBondContact N-O 3.05Å; D1744-L1753 VanDerWaalsContact N-O 3.14Å; D1744-L1753 WeakPolarHBondContact O-CD2 3.46Å; D1744-I1755 HydrophobicContact CB-CD1 4.05Å; D1744-I1755 HydrophobicContact CB-CG1 4.23Å
1745L75.4Confident62.9Low2 Ų260.7 Ų60.71%0.0131%0.305CS..THydrogen-bonded Turntrans-61.5-5.8-176.9-62.7177000113.9I1678 M1680 Y1691 V1693 T1722 V1724I1678-L1745 HydrophobicContact CG2-CD1 4.47Å; I1678-L1745 HydrophobicContact CG2-CD2 4.27Å; M1680-L1745 HydrophobicContact CB-CD1 3.97Å; M1680-L1745 HydrophobicContact SD-CD1 4.43Å; Y1691-L1745 WeakPolarHBondContact CD1-O 3.44Å; Y1691-L1745 HydrophobicContact CD2-CB 3.84Å; Y1691-L1745 WeakPolarHBondContact CE1-O 3.37Å; Y1691-L1745 HydrophobicContact CG-CB 3.82Å; V1693-L1745 HydrophobicContact CB-CD2 4.22Å; V1693-L1745 HydrophobicContact CG2-CD2 3.56Å; T1722-L1745 WeakPolarHBondContact O-CG 3.47Å; T1722-L1745 PolarHBondContact O-N 2.8Å; V1724-L1745 HydrophobicContact CG2-CD1 3.83Å; V1724-L1745 HydrophobicContact CG2-CG 4.18Å
1746K72.6Confident63.6Low132 Ų13261.7 Ų61.757%0.57431%0.313SS*.THydrogen-bonded Turntrans-84.9-27.9-171.9-158.1175.1-171.5-175.10114.8D1744 K1748D1744-K1746 PolarHBondContact O-N 2.98Å; D1744-K1746 WeakPolarHBondContact OD1-CB 3.41Å; D1744-K1746 PolarHBondContact OD1-N 2.93Å; K1746-K1748 PolarHBondContact O-N 3.4Å
1747N67.7Low64.2Low68 Ų6863.7 Ų63.736%0.36432%0.318SS..  trans-84.398.2-173-71.5-2.9000111.2E1752 L1753N1747-E1752 HydrophobicContact CB-CB 4.47Å; N1747-E1752 VanDerWaalsContact CB-O 3.3Å; N1747-E1752 WeakPolarHBondContact CB-O 3.49Å; N1747-E1752 PolarHBondContact ND2-O 2.8Å; N1747-L1753 WeakPolarHBondContact O-CD2 3.48Å; N1747-L1753 WeakPolarHBondContact O-CG 3.31Å
1748K55.5Low64.5Low160 Ų16061.8 Ų61.870%0.69631%0.305SS*.  trans-94.37.9-166.4-115.2-176.9-178.1-178.90117.2K1746K1746-K1748 PolarHBondContact O-N 3.4Å
1749Q46.7Very low64.3Low171 Ų17163 Ų6380%0.79932%0.317SS*.SBendtrans-106.3144175-69.1-177.3-13.700110N1751Q1749-N1751 PolarHBondContact O-N 2.68Å
1750N45.3Very low63.2Low129 Ų12964 Ų6469%0.6932%0.322SS*.THydrogen-bonded Turntrans-57.9136.7-167.5-61-6.7000111.6
1751N48.1Very low62.2Low117 Ų11766.9 Ų66.963%0.62634%0.339SS*.THydrogen-bonded Turntrans89.7-8.4175.7-50.23.7000118.2H1702 Q1749H1702-N1751 PolarHBondContact CE1-O 2.9Å; Q1749-N1751 PolarHBondContact O-N 2.68Å
1752E55.3Low60.8Low144 Ų14472.9 Ų72.967%0.67337%0.371SS*.  trans-110.218-179.8-67.9-165161.100115.7N1747N1747-E1752 HydrophobicContact CB-CB 4.47Å; N1747-E1752 VanDerWaalsContact CB-O 3.3Å; N1747-E1752 WeakPolarHBondContact CB-O 3.49Å; N1747-E1752 PolarHBondContact ND2-O 2.8Å
1753L64.5Low60Low29 Ų2977.1 Ų77.115%0.15239%0.39CS..SBendtrans-77.4-25.2179.4-85.1163.9000114.4V1693 L1698 L1743 D1744 N1747V1693-L1753 HydrophobicContact CG2-CD2 4.4Å; L1698-L1753 HydrophobicContact CD1-CB 3.82Å; L1698-L1753 HydrophobicContact CD1-CD1 3.83Å; L1698-L1753 HydrophobicContact CD1-CG 4.45Å; L1698-L1753 HydrophobicContact CD2-CB 3.75Å; L1698-L1753 HydrophobicContact CD2-CD1 4.07Å; L1698-L1753 HydrophobicContact CD2-CG 4.47Å; L1698-L1753 HydrophobicContact CG-CB 4.46Å; L1743-L1753 WeakPolarHBondContact CA-O 3.34Å; D1744-L1753 PolarHBondContact N-O 3.05Å; D1744-L1753 VanDerWaalsContact N-O 3.14Å; D1744-L1753 WeakPolarHBondContact O-CD2 3.46Å; N1747-L1753 WeakPolarHBondContact O-CD2 3.48Å; N1747-L1753 WeakPolarHBondContact O-CG 3.31Å
1754I63.3Low59.3Low31 Ų3178 Ų7816%0.15939%0.394CS..EExtended strand (participates in β ladder)trans-94.7118-177.9-52.4-168.2000109.1L1698 L1699 H1702 T1741 L1743 S1756 Q1757L1698-I1754 HydrophobicContact CD2-CG1 4.4Å; L1699-I1754 HydrophobicContact CD2-CD1 4.12Å; H1702-I1754 HydrophobicContact CB-CD1 3.71Å; H1702-I1754 VanDerWaalsContact CD2-CD1 3.41Å; H1702-I1754 WeakPolarHBondContact CD2-CD1 3.37Å; H1702-I1754 VanDerWaalsContact CG-CD1 3.48Å; T1741-I1754 HydrophobicContact CG2-CD1 4.35Å; T1741-I1754 HydrophobicContact CG2-CG2 4.33Å; L1743-I1754 HydrophobicContact CD2-CB 4.28Å; L1743-I1754 HydrophobicContact CD2-CD1 4.49Å; L1743-I1754 HydrophobicContact CD2-CG1 3.69Å; I1754-S1756 WeakPolarHBondContact CG2-O 3.43Å; I1754-Q1757 HydrophobicContact CG2-CB 4.16Å
1755I57Low58.6Low75 Ų7579 Ų7939%0.38540%0.399SS..EExtended strand (participates in β ladder)trans-74.8-45.7170-57.5179.6000109.7K1723 V1742 D1744K1723-I1755 HydrophobicContact CD-CD1 3.57Å; K1723-I1755 HydrophobicContact CG-CD1 4.15Å; V1742-I1755 HydrophobicContact CB-CB 4.35Å; V1742-I1755 HydrophobicContact CG1-CB 4.3Å; V1742-I1755 HydrophobicContact CG1-CD1 4.11Å; V1742-I1755 PolarHBondContact O-N 2.85Å; D1744-I1755 HydrophobicContact CB-CD1 4.05Å; D1744-I1755 HydrophobicContact CB-CG1 4.23Å
1756S63.4Low58Low35 Ų3581.8 Ų81.825%0.24541%0.414CS..EExtended strand (participates in β ladder)trans-154.7145.6177.256.50000111.3T1741 V1742 I1754 M1758T1741-S1756 WeakPolarHBondContact CA-O 3.17Å; V1742-S1756 VanDerWaalsContact CG2-OG 3.31Å; V1742-S1756 WeakPolarHBondContact CG2-OG 3.13Å; V1742-S1756 PolarHBondContact N-O 3.15Å; I1754-S1756 WeakPolarHBondContact CG2-O 3.43Å; S1756-M1758 WeakPolarHBondContact OG-CE 3.22Å
1757Q58.5Low57.4Low82 Ų8275.9 Ų75.938%0.38339%0.389SS..EExtended strand (participates in β ladder)trans-123.6123.7171.9179.4161.3-41.300107.2I1740 T1741 I1754I1740-Q1757 WeakPolarHBondContact O-CA 3.48Å; T1741-Q1757 HydrophobicContact CG2-CB 3.83Å; T1741-Q1757 HydrophobicContact CG2-CG 3.71Å; I1754-Q1757 HydrophobicContact CG2-CB 4.16Å
1758M66Low56.9Low31 Ų3173.7 Ų73.715%0.15338%0.379CS..EExtended strand (participates in β ladder)trans-142.1137-172.861.3-177.269.300110.8I1740 S1756 I1765I1740-M1758 HydrophobicContact CB-CG 3.82Å; I1740-M1758 HydrophobicContact CG2-CG 4.06Å; I1740-M1758 HydrophobicContact CG2-SD 4.33Å; I1740-M1758 PolarHBondContact N-O 2.76Å; I1740-M1758 PolarHBondContact O-N 2.74Å; S1756-M1758 WeakPolarHBondContact OG-CE 3.22Å; M1758-I1765 HydrophobicContact CE-CG2 4.14Å; M1758-I1765 HydrophobicContact SD-CB 4.45Å; M1758-I1765 HydrophobicContact SD-CG2 3.57Å; M1758-I1765 VanDerWaalsContact SD-CG2 3.57Å
1759S56.5Low56.7Low69 Ų6971 Ų7148%0.48338%0.38SS..EExtended strand (participates in β ladder)trans-87.9135.5168.349.40000109.6V1761S1759-V1761 PolarHBondContact O-N 2.81Å
1760I51.9Low57.2Low37 Ų3767.6 Ų67.619%0.1937%0.367CS..  trans-76.8117.1179.3-60.3137.4000109.2L1738 I1740 L1779L1738-I1760 HydrophobicContact CB-CD1 3.54Å; L1738-I1760 WeakPolarHBondContact O-CD1 3.39Å; L1738-I1760 PolarHBondContact O-N 3.07Å; I1740-I1760 HydrophobicContact CD1-CD1 3.61Å; I1740-I1760 HydrophobicContact CD1-CG1 3.6Å; I1740-I1760 HydrophobicContact CG1-CD1 3.69Å; I1740-I1760 HydrophobicContact CG1-CG1 4.03Å; I1760-L1779 HydrophobicContact CD1-CD2 3.41Å; I1760-L1779 VanDerWaalsContact CD1-CD2 3.41Å; I1760-L1779 HydrophobicContact CG1-CD2 4.04Å; I1760-L1779 HydrophobicContact CG2-CD2 4.06Å
1761V50.3Low57.7Low66 Ų6661.6 Ų61.640%0.434%0.336SS..  trans-135.388.6174.9-178.30000109.1S1759 K1763S1759-V1761 PolarHBondContact O-N 2.81Å; V1761-K1763 WeakPolarHBondContact O-CG 2.92Å; V1761-K1763 PolarHBondContact O-N 2.95Å
1762D48.8Very low58.2Low126 Ų12656.4 Ų56.467%0.67431%0.309SS*.SBendtrans51.4-6.6168.1-57.2-37.7000120.1
1763K57.4Low58.5Low92 Ų9251.5 Ų51.540%0.429%0.285SS..SBendtrans-93.5153.1-175.5-64.3-174.1-171.3-157.60112V1761 I1765 L1809V1761-K1763 WeakPolarHBondContact O-CG 2.92Å; V1761-K1763 PolarHBondContact O-N 2.95Å; K1763-I1765 HydrophobicContact CB-CG1 3.97Å; K1763-I1765 PolarHBondContact O-N 3.37Å; K1763-L1809 WeakPolarHBondContact CE-O 3.4Å; K1763-L1809 PolarHBondContact NZ-O 2.85Å
1764L62.8Low58.6Low19 Ų1950.1 Ų50.110%0.09928%0.278CS..  trans-69.3112.4154-179.169.9000108I1775 D1776 I1782 F1784 L1790 A1811 F1813L1764-I1775 WeakPolarHBondContact CA-O 3.27Å; L1764-D1776 HydrophobicContact CD1-CB 4.45Å; L1764-I1782 HydrophobicContact CD1-CD1 4.33Å; L1764-F1784 HydrophobicContact CD1-CE2 4.46Å; L1764-F1784 HydrophobicContact CD1-CZ 4.09Å; L1764-F1784 HydrophobicContact CD2-CZ 4.12Å; L1764-L1790 HydrophobicContact CD2-CD2 3.86Å; L1764-L1790 HydrophobicContact CG-CD2 4.2Å; L1764-A1811 HydrophobicContact CB-CB 4.39Å; L1764-F1813 HydrophobicContact CD1-CD2 4.46Å; L1764-F1813 HydrophobicContact CD1-CE2 3.95Å; L1764-F1813 HydrophobicContact CD2-CD2 4.4Å; L1764-F1813 HydrophobicContact CD2-CE2 3.6Å; L1764-F1813 HydrophobicContact CD2-CZ 4.27Å; L1764-F1813 HydrophobicContact CG-CE2 4.42Å
1765I63.9Low58.7Low44 Ų4448.9 Ų48.923%0.22627%0.272CS..EExtended strand (participates in β ladder)trans-110.1139.6-176.2-59.7168.4000109.7M1758 K1763 G1774 I1775M1758-I1765 HydrophobicContact CE-CG2 4.14Å; M1758-I1765 HydrophobicContact SD-CB 4.45Å; M1758-I1765 HydrophobicContact SD-CG2 3.57Å; M1758-I1765 VanDerWaalsContact SD-CG2 3.57Å; K1763-I1765 HydrophobicContact CB-CG1 3.97Å; K1763-I1765 PolarHBondContact O-N 3.37Å; I1765-G1774 CarbonylContact O-C 3.42Å; I1765-G1774 WeakPolarHBondContact O-CA 3.43Å; I1765-I1775 PolarHBondContact N-O 2.92Å; I1765-I1775 PolarHBondContact O-N 2.99Å
1766D62.2Low58.9Low60 Ų6046.3 Ų46.332%0.32126%0.258SS..EExtended strand (participates in β ladder)trans-73.3126.7168.7-165.6-7.4000110.9S1768 G1771 L1790D1766-S1768 PolarHBondContact OD1-N 2.95Å; D1766-S1768 PolarHBondContact OD1-OG 2.86Å; D1766-G1771 WeakPolarHBondContact OD1-CA 3.21Å; D1766-G1771 VanDerWaalsContact OD2-CA 3.24Å; D1766-G1771 WeakPolarHBondContact OD2-CA 3.22Å; D1766-L1790 HydrophobicContact CB-CD1 3.69Å
1767V60Low58.5Low9 Ų946.9 Ų46.96%0.05527%0.266CS..  trans-108.96.3-177.3-162.90000110.4I1725 V1742 Y1773 I1775I1725-V1767 HydrophobicContact CD1-CG1 3.7Å; I1725-V1767 HydrophobicContact CG1-CG1 3.97Å; V1742-V1767 HydrophobicContact CG2-CG1 3.38Å; V1767-Y1773 PolarHBondContact N-O 2.77Å; V1767-I1775 HydrophobicContact CG1-CD1 4.48Å; V1767-I1775 HydrophobicContact CG2-CB 3.96Å; V1767-I1775 HydrophobicContact CG2-CD1 3.91Å; V1767-I1775 HydrophobicContact CG2-CG1 3.82Å
1768S56.9Low58.4Low21 Ų2148.1 Ų48.115%0.14728%0.275CS..SBendtrans-136.7138.6-165.158.20000112.1D1766 D1770 G1771 A1772 Y1773D1766-S1768 PolarHBondContact OD1-N 2.95Å; D1766-S1768 PolarHBondContact OD1-OG 2.86Å; S1768-D1770 VanDerWaalsContact CB-OD1 3.3Å; S1768-D1770 WeakPolarHBondContact CB-OD1 3.34Å; S1768-D1770 PolarHBondContact O-N 3.29Å; S1768-D1770 PolarHBondContact OG-OD1 2.81Å; S1768-G1771 PolarHBondContact O-N 2.72Å; S1768-G1771 WeakPolarHBondContact OG-CA 3.1Å; S1768-G1771 PolarHBondContact OG-N 3.23Å; S1768-A1772 PolarHBondContact OG-N 3.08Å; S1768-Y1773 PolarHBondContact OG-N 2.76Å; S1768-Y1773 PolarHBondContact OG-O 3.32Å
1769S52.5Low57.8Low103 Ų10348.4 Ų48.472%0.7228%0.277SS*.THydrogen-bonded Turntrans-68.4-4.9-178.954.30000114.4
1770D55.7Low57.7Low100 Ų10052 Ų5254%0.53528%0.28SS..THydrogen-bonded Turntrans-122.70.2-178.164.1-13.7000113.4S1768 A1772 G1787S1768-D1770 VanDerWaalsContact CB-OD1 3.3Å; S1768-D1770 WeakPolarHBondContact CB-OD1 3.34Å; S1768-D1770 PolarHBondContact O-N 3.29Å; S1768-D1770 PolarHBondContact OG-OD1 2.81Å; D1770-A1772 VanDerWaalsContact C-N 3.3Å; D1770-A1772 PolarHBondContact O-N 2.97Å; D1770-A1772 WeakPolarHBondContact OD1-CB 3.16Å; D1770-A1772 PolarHBondContact OD1-N 2.89Å; D1770-G1787 VanDerWaalsContact O-CA 3.29Å; D1770-G1787 WeakPolarHBondContact O-CA 3.44Å
1771G57.1Low58Low3 Ų353 Ų533%0.03129%0.285CS..SBendtrans77.30.2-176.300000116.4D1766 S1768 Y1773 G1787D1766-G1771 WeakPolarHBondContact OD1-CA 3.21Å; D1766-G1771 VanDerWaalsContact OD2-CA 3.24Å; D1766-G1771 WeakPolarHBondContact OD2-CA 3.22Å; S1768-G1771 PolarHBondContact O-N 2.72Å; S1768-G1771 WeakPolarHBondContact OG-CA 3.1Å; S1768-G1771 PolarHBondContact OG-N 3.23Å; G1771-Y1773 VanDerWaalsContact C-N 3.26Å; G1771-Y1773 PolarHBondContact O-N 2.9Å; G1771-G1787 WeakPolarHBondContact O-CA 3.5Å
1772A59.3Low58.4Low8 Ų850.8 Ų50.87%0.06627%0.271CS..  trans-70-17-171.700000114.5S1768 D1770 F1784S1768-A1772 PolarHBondContact OG-N 3.08Å; D1770-A1772 VanDerWaalsContact C-N 3.3Å; D1770-A1772 PolarHBondContact O-N 2.97Å; D1770-A1772 WeakPolarHBondContact OD1-CB 3.16Å; D1770-A1772 PolarHBondContact OD1-N 2.89Å; A1772-F1784 PolarHBondContact O-N 2.95Å
1773Y60.2Low58.9Low41 Ų4148 Ų4816%0.16126%0.256CS..EExtended strand (participates in β ladder)trans-136.9122.3-177.7-61.4-94.5000112V1719 V1767 S1768 G1771 L1781 I1782 N1783V1719-Y1773 WeakPolarHBondContact CG2-OH 3.35Å; V1767-Y1773 PolarHBondContact N-O 2.77Å; S1768-Y1773 PolarHBondContact OG-N 2.76Å; S1768-Y1773 PolarHBondContact OG-O 3.32Å; G1771-Y1773 VanDerWaalsContact C-N 3.26Å; G1771-Y1773 PolarHBondContact O-N 2.9Å; Y1773-L1781 HydrophobicContact CD1-CD1 4.42Å; Y1773-L1781 HydrophobicContact CD1-CG 4.48Å; Y1773-I1782 WeakPolarHBondContact CA-O 3.05Å; Y1773-N1783 HydrophobicContact CD1-CB 3.95Å; Y1773-N1783 HydrophobicContact CE1-CB 3.71Å; Y1773-N1783 VanDerWaalsContact CE1-CG 3.47Å; Y1773-N1783 WeakPolarHBondContact CE1-ND2 3.01Å; Y1773-N1783 PolarHBondContact OH-ND2 2.9Å
1774G67.5Low59.1Low0 Ų043.7 Ų43.70%024%0.237CC..EExtended strand (participates in β ladder)trans-118161.3170.100000113.3I1765 I1782I1765-G1774 CarbonylContact O-C 3.42Å; I1765-G1774 WeakPolarHBondContact O-CA 3.43Å; G1774-I1782 PolarHBondContact N-O 3.05Å; G1774-I1782 PolarHBondContact O-N 2.99Å
1775I63.9Low58.6Low6 Ų648.8 Ų48.83%0.03126%0.261CS..EExtended strand (participates in β ladder)trans-116.6133.4172.2-78.4172.9000109.7I1725 I1740 L1764 I1765 V1767 R1780 L1781I1725-I1775 HydrophobicContact CG2-CD1 3.93Å; I1740-I1775 HydrophobicContact CD1-CD1 3.75Å; I1740-I1775 HydrophobicContact CD1-CG2 4.22Å; L1764-I1775 WeakPolarHBondContact CA-O 3.27Å; I1765-I1775 PolarHBondContact N-O 2.92Å; I1765-I1775 PolarHBondContact O-N 2.99Å; V1767-I1775 HydrophobicContact CG1-CD1 4.48Å; V1767-I1775 HydrophobicContact CG2-CB 3.96Å; V1767-I1775 HydrophobicContact CG2-CD1 3.91Å; V1767-I1775 HydrophobicContact CG2-CG1 3.82Å; I1775-R1780 WeakPolarHBondContact CA-O 3.26Å; I1775-L1781 HydrophobicContact CD1-CD1 4.16Å; I1775-L1781 HydrophobicContact CG1-CB 4.39Å; I1775-L1781 HydrophobicContact CG1-CD1 3.8Å
1776D62.1Low57.9Low20 Ų2050 Ų5011%0.10727%0.267CS..  trans-85.3168.7173.487.1-19.1000112.6L1764 N1778 L1779 R1780 I1782L1764-D1776 HydrophobicContact CD1-CB 4.45Å; D1776-N1778 PolarHBondContact O-N 3.37Å; D1776-N1778 VanDerWaalsContact OD1-C 3.28Å; D1776-N1778 VanDerWaalsContact OD1-CA 3.29Å; D1776-N1778 WeakPolarHBondContact OD1-CA 3.38Å; D1776-N1778 WeakPolarHBondContact OD1-CB 3.16Å; D1776-N1778 PolarHBondContact OD1-N 2.79Å; D1776-N1778 PolarHBondContact OD2-ND2 3.34Å; D1776-L1779 PolarHBondContact O-N 3.31Å; D1776-L1779 PolarHBondContact OD1-N 2.98Å; D1776-R1780 PolarHBondContact N-O 3.28Å; D1776-R1780 VanDerWaalsContact OD1-CB 3.27Å; D1776-R1780 WeakPolarHBondContact OD1-CB 3.32Å; D1776-R1780 PolarHBondContact OD1-N 2.93Å; D1776-I1782 HydrophobicContact CB-CD1 4.28Å
1777A56.1Low57.4Low48 Ų4847.6 Ų47.640%0.39726%0.257SS..THydrogen-bonded Turntrans-59.8-12.2176.300000114.6
1778N54.6Low57.2Low107 Ų10748.6 Ų48.657%0.57226%0.264SS*.THydrogen-bonded Turntrans-96.511.3174.4-51.5-81.3000112.6D1776 R1780D1776-N1778 PolarHBondContact O-N 3.37Å; D1776-N1778 VanDerWaalsContact OD1-C 3.28Å; D1776-N1778 VanDerWaalsContact OD1-CA 3.29Å; D1776-N1778 WeakPolarHBondContact OD1-CA 3.38Å; D1776-N1778 WeakPolarHBondContact OD1-CB 3.16Å; D1776-N1778 PolarHBondContact OD1-N 2.79Å; D1776-N1778 PolarHBondContact OD2-ND2 3.34Å; N1778-R1780 HydrophobicContact CB-CG 4.21Å; N1778-R1780 PolarHBondContact O-N 2.9Å
1779L54.2Low57.4Low38 Ų3847.6 Ų47.620%0.19926%0.257CS..  trans62.527.4-178.6-43.3177.9000113.6F1715 L1738 I1760 D1776F1715-L1779 HydrophobicContact CZ-CB 4.46Å; L1738-L1779 HydrophobicContact CD1-CD1 3.57Å; L1738-L1779 HydrophobicContact CD1-CD2 4.49Å; I1760-L1779 HydrophobicContact CD1-CD2 3.41Å; I1760-L1779 VanDerWaalsContact CD1-CD2 3.41Å; I1760-L1779 HydrophobicContact CG1-CD2 4.04Å; I1760-L1779 HydrophobicContact CG2-CD2 4.06Å; D1776-L1779 PolarHBondContact O-N 3.31Å; D1776-L1779 PolarHBondContact OD1-N 2.98Å
1780R55.3Low57.8Low144 Ų14443.2 Ų43.254%0.54323%0.226SC..  trans-86.7116.3173.8-60.5168.6170.9171.2-4.4108.3I1775 D1776 N1778 I1782I1775-R1780 WeakPolarHBondContact CA-O 3.26Å; D1776-R1780 PolarHBondContact N-O 3.28Å; D1776-R1780 VanDerWaalsContact OD1-CB 3.27Å; D1776-R1780 WeakPolarHBondContact OD1-CB 3.32Å; D1776-R1780 PolarHBondContact OD1-N 2.93Å; N1778-R1780 HydrophobicContact CB-CG 4.21Å; N1778-R1780 PolarHBondContact O-N 2.9Å; R1780-I1782 PolarHBondContact O-N 3.1Å
1781L56.9Low58.1Low57 Ų5741.2 Ų41.230%0.29822%0.223SC..EExtended strand (participates in β ladder)trans-65.3126.2165.4-173.166.7000108.9I1725 Y1773 I1775I1725-L1781 HydrophobicContact CD1-CD1 3.92Å; I1725-L1781 HydrophobicContact CD1-CD2 4.49Å; Y1773-L1781 HydrophobicContact CD1-CD1 4.42Å; Y1773-L1781 HydrophobicContact CD1-CG 4.48Å; I1775-L1781 HydrophobicContact CD1-CD1 4.16Å; I1775-L1781 HydrophobicContact CG1-CB 4.39Å; I1775-L1781 HydrophobicContact CG1-CD1 3.8Å
1782I60Low58.4Low20 Ų2041.2 Ų41.210%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-119.4114.2178.2-51.2176.7000107.8L1764 Y1773 G1774 D1776 R1780 F1784 F1813L1764-I1782 HydrophobicContact CD1-CD1 4.33Å; Y1773-I1782 WeakPolarHBondContact CA-O 3.05Å; G1774-I1782 PolarHBondContact N-O 3.05Å; G1774-I1782 PolarHBondContact O-N 2.99Å; D1776-I1782 HydrophobicContact CB-CD1 4.28Å; R1780-I1782 PolarHBondContact O-N 3.1Å; I1782-F1784 HydrophobicContact CB-CE1 4.02Å; I1782-F1784 HydrophobicContact CB-CE2 4.4Å; I1782-F1784 HydrophobicContact CB-CZ 3.83Å; I1782-F1784 HydrophobicContact CD1-CZ 4.42Å; I1782-F1784 HydrophobicContact CG2-CD1 3.89Å; I1782-F1784 HydrophobicContact CG2-CE1 3.31Å; I1782-F1784 HydrophobicContact CG2-CE2 4.5Å; I1782-F1784 HydrophobicContact CG2-CZ 3.67Å; I1782-F1813 HydrophobicContact CD1-CD2 3.83Å; I1782-F1813 HydrophobicContact CD1-CE2 3.74Å
1783N59.2Low58.7Low69 Ų6941.3 Ų41.337%0.36922%0.222SC..EExtended strand (participates in β ladder)trans-79.7119.4169.6-174.7-18.6000108.9Y1773 Q1785Y1773-N1783 HydrophobicContact CD1-CB 3.95Å; Y1773-N1783 HydrophobicContact CE1-CB 3.71Å; Y1773-N1783 VanDerWaalsContact CE1-CG 3.47Å; Y1773-N1783 WeakPolarHBondContact CE1-ND2 3.01Å; Y1773-N1783 PolarHBondContact OH-ND2 2.9Å; N1783-Q1785 WeakPolarHBondContact OD1-CA 3.46Å; N1783-Q1785 PolarHBondContact OD1-N 3.27Å
1784F61Low58.9Low1 Ų143.8 Ų43.80%0.00424%0.238CC..  trans-92.2-5.6179.3-68.1-50.6000113.8L1764 A1772 I1782 N1786 I1789 L1790 F1813L1764-F1784 HydrophobicContact CD1-CE2 4.46Å; L1764-F1784 HydrophobicContact CD1-CZ 4.09Å; L1764-F1784 HydrophobicContact CD2-CZ 4.12Å; A1772-F1784 PolarHBondContact O-N 2.95Å; I1782-F1784 HydrophobicContact CB-CE1 4.02Å; I1782-F1784 HydrophobicContact CB-CE2 4.4Å; I1782-F1784 HydrophobicContact CB-CZ 3.83Å; I1782-F1784 HydrophobicContact CD1-CZ 4.42Å; I1782-F1784 HydrophobicContact CG2-CD1 3.89Å; I1782-F1784 HydrophobicContact CG2-CE1 3.31Å; I1782-F1784 HydrophobicContact CG2-CE2 4.5Å; I1782-F1784 HydrophobicContact CG2-CZ 3.67Å; F1784-N1786 PolarHBondContact O-N 3.21Å; F1784-I1789 HydrophobicContact CB-CD1 3.84Å; F1784-I1789 HydrophobicContact CB-CG1 4.36Å; F1784-I1789 HydrophobicContact CD1-CD1 3.66Å; F1784-I1789 HydrophobicContact CG-CB 4.49Å; F1784-I1789 HydrophobicContact CG-CD1 3.97Å; F1784-L1790 HydrophobicContact CD2-CD1 3.87Å; F1784-L1790 HydrophobicContact CD2-CG 4.06Å; F1784-L1790 HydrophobicContact CE2-CD1 3.82Å; F1784-L1790 HydrophobicContact CE2-CD2 4.21Å; F1784-L1790 HydrophobicContact CE2-CG 4.02Å; F1784-F1813 AromaticContact CE1-CE2 3.92Å; F1784-F1813 HydrophobicContact CE1-CE2 3.92Å; F1784-F1813 AromaticContact CE1-CZ 3.47Å; F1784-F1813 HydrophobicContact CE1-CZ 3.47Å; F1784-F1813 VanDerWaalsContact CE1-CZ 3.47Å; F1784-F1813 AromaticContact CZ-CE2 3.79Å; F1784-F1813 HydrophobicContact CZ-CE2 3.79Å; F1784-F1813 AromaticContact CZ-CZ 3.78Å; F1784-F1813 HydrophobicContact CZ-CZ 3.78Å
1785Q52Low58.8Low126 Ų12643.8 Ų43.859%0.58924%0.238SC*.SBendtrans62.6-34.8-178.8-58.7-177.2-17.500115.5N1783N1783-Q1785 WeakPolarHBondContact OD1-CA 3.46Å; N1783-Q1785 PolarHBondContact OD1-N 3.27Å
1786N50.5Low58.5Low69 Ų6944.4 Ų44.437%0.36924%0.242SC..SBendtrans-138.3122.2170.6-70.5-78.2000108.4F1784 S1788 N1844F1784-N1786 PolarHBondContact O-N 3.21Å; N1786-S1788 PolarHBondContact O-N 3.32Å; N1786-N1844 PolarHBondContact ND2-ND2 3.02Å; N1786-N1844 PolarHBondContact ND2-OD1 3.02Å
1787G49.7Very low58.5Low10 Ų1046.4 Ų46.410%0.10325%0.253CS..THydrogen-bonded Turntrans-73.75.2-174.600000116.8D1770 G1771 I1789 L1790 A1791D1770-G1787 VanDerWaalsContact O-CA 3.29Å; D1770-G1787 WeakPolarHBondContact O-CA 3.44Å; G1771-G1787 WeakPolarHBondContact O-CA 3.5Å; G1787-I1789 PolarHBondContact O-N 2.86Å; G1787-L1790 PolarHBondContact O-N 3.15Å; G1787-L1790 VanDerWaalsContact O-N 3.16Å; G1787-A1791 PolarHBondContact O-N 3.2Å; G1787-A1791 VanDerWaalsContact O-N 3.12Å
1788S57.7Low59Low29 Ų2944.2 Ų44.220%0.20324%0.235CC..Hα-helixtrans-56.7-17.9167.953.80000113.3N1786 L1792N1786-S1788 PolarHBondContact O-N 3.32Å; S1788-L1792 VanDerWaalsContact O-CB 3.32Å; S1788-L1792 WeakPolarHBondContact O-CB 3.31Å; S1788-L1792 PolarHBondContact O-N 3.16Å
1789I60.6Low59.7Low0 Ų039.2 Ų39.20%021%0.208CC..Hα-helixtrans-64.9-52.3171.6-56.9-170.7000112.1F1784 G1787 L1792 I1820 Y1846F1784-I1789 HydrophobicContact CB-CD1 3.84Å; F1784-I1789 HydrophobicContact CB-CG1 4.36Å; F1784-I1789 HydrophobicContact CD1-CD1 3.66Å; F1784-I1789 HydrophobicContact CG-CB 4.49Å; F1784-I1789 HydrophobicContact CG-CD1 3.97Å; G1787-I1789 PolarHBondContact O-N 2.86Å; I1789-L1792 WeakPolarHBondContact O-CB 3.43Å; I1789-L1792 PolarHBondContact O-N 3.42Å; I1789-I1820 HydrophobicContact CG2-CD1 3.37Å; I1789-Y1846 HydrophobicContact CD1-CD1 3.92Å; I1789-Y1846 HydrophobicContact CD1-CE1 3.36Å; I1789-Y1846 HydrophobicContact CD1-CE2 4.08Å; I1789-Y1846 HydrophobicContact CD1-CG 4.5Å; I1789-Y1846 VanDerWaalsContact CD1-CZ 3.45Å; I1789-Y1846 HydrophobicContact CG1-CD1 3.77Å; I1789-Y1846 HydrophobicContact CG1-CD2 3.65Å; I1789-Y1846 HydrophobicContact CG1-CE1 3.52Å; I1789-Y1846 HydrophobicContact CG1-CE2 3.36Å; I1789-Y1846 HydrophobicContact CG1-CG 3.84Å
1790L60.6Low60.1Low12 Ų1238.4 Ų38.46%0.06321%0.205CC..Hα-helixtrans-77-37-176-70175.1000110.6L1764 D1766 F1784 G1787 L1792 L1793L1764-L1790 HydrophobicContact CD2-CD2 3.86Å; L1764-L1790 HydrophobicContact CG-CD2 4.2Å; D1766-L1790 HydrophobicContact CB-CD1 3.69Å; F1784-L1790 HydrophobicContact CD2-CD1 3.87Å; F1784-L1790 HydrophobicContact CD2-CG 4.06Å; F1784-L1790 HydrophobicContact CE2-CD1 3.82Å; F1784-L1790 HydrophobicContact CE2-CD2 4.21Å; F1784-L1790 HydrophobicContact CE2-CG 4.02Å; G1787-L1790 PolarHBondContact O-N 3.15Å; G1787-L1790 VanDerWaalsContact O-N 3.16Å; L1790-L1792 PolarHBondContact O-N 2.85Å; L1790-L1793 HydrophobicContact CD2-CD1 4.09Å; L1790-L1793 PolarHBondContact O-N 3.12Å
1791A61.6Low60.4Low58 Ų5834.2 Ų34.248%0.47921%0.207SC..Hα-helixtrans-60.3-30.3169.800000113G1787 L1793 N1794G1787-A1791 PolarHBondContact O-N 3.2Å; G1787-A1791 VanDerWaalsContact O-N 3.12Å; A1791-L1793 PolarHBondContact O-N 2.98Å; A1791-N1794 PolarHBondContact O-N 3.31Å
1792L64.5Low60.7Low3 Ų332.1 Ų32.12%0.01620%0.197CC..Hα-helixtrans-54.9-42.1176-160.584.9000112.2I757 S1788 I1789 L1790 N1794 S1795 L1798 I1837 Y1846I757-L1792 HydrophobicContact CG2-CD1 4.41Å; I757-L1792 WeakPolarHBondContact O-CD1 3.48Å; S1788-L1792 VanDerWaalsContact O-CB 3.32Å; S1788-L1792 WeakPolarHBondContact O-CB 3.31Å; S1788-L1792 PolarHBondContact O-N 3.16Å; I1789-L1792 WeakPolarHBondContact O-CB 3.43Å; I1789-L1792 PolarHBondContact O-N 3.42Å; L1790-L1792 PolarHBondContact O-N 2.85Å; L1792-N1794 PolarHBondContact O-N 3.16Å; L1792-S1795 VanDerWaalsContact O-CB 3.29Å; L1792-S1795 WeakPolarHBondContact O-CB 3.45Å; L1792-S1795 PolarHBondContact O-N 3.25Å; L1792-S1795 VanDerWaalsContact O-N 3.12Å; L1792-S1795 PolarHBondContact O-OG 2.97Å; L1792-L1798 WeakPolarHBondContact O-CD1 3.08Å; L1792-I1837 HydrophobicContact CD2-CB 4.39Å; L1792-I1837 HydrophobicContact CD2-CD1 3.76Å; L1792-I1837 HydrophobicContact CD2-CG1 3.75Å; L1792-I1837 HydrophobicContact CD2-CG2 3.69Å; L1792-Y1846 WeakPolarHBondContact CD2-O 3.49Å
1793L65.7Low60.7Low9 Ų935.6 Ų35.65%0.04721%0.212CC..Hα-helixtrans-65.5-26.4-169-64.8170.9000112.2L1790 A1791 L1798 V1808 S1822 I1837L1790-L1793 HydrophobicContact CD2-CD1 4.09Å; L1790-L1793 PolarHBondContact O-N 3.12Å; A1791-L1793 PolarHBondContact O-N 2.98Å; L1793-L1798 WeakPolarHBondContact O-CD1 3.29Å; L1793-V1808 VanDerWaalsContact C-CG2 3.46Å; L1793-V1808 HydrophobicContact CB-CG1 4.48Å; L1793-V1808 HydrophobicContact CB-CG2 3.58Å; L1793-V1808 WeakPolarHBondContact O-CG2 3.34Å; L1793-S1822 VanDerWaalsContact CD2-OG 3.29Å; L1793-S1822 WeakPolarHBondContact CD2-OG 3.3Å; L1793-I1837 HydrophobicContact CD2-CD1 3.41Å; L1793-I1837 VanDerWaalsContact CD2-CD1 3.41Å
1794N62.8Low61.2Low93 Ų9336.3 Ų36.350%0.49722%0.216SC..THydrogen-bonded Turntrans-94.814.2179.1-61.7-26.3000113.1A1791 L1792 D1805 V1808A1791-N1794 PolarHBondContact O-N 3.31Å; L1792-N1794 PolarHBondContact O-N 3.16Å; N1794-D1805 WeakPolarHBondContact O-CB 3.48Å; N1794-V1808 WeakPolarHBondContact OD1-CG2 3.44Å
1795S66.1Low61.5Low0 Ų040.6 Ų40.60%024%0.239CC..  trans-89.6124.3-170.265.90000115.1L1792 N1797 L1798 P1806L1792-S1795 VanDerWaalsContact O-CB 3.29Å; L1792-S1795 WeakPolarHBondContact O-CB 3.45Å; L1792-S1795 PolarHBondContact O-N 3.25Å; L1792-S1795 VanDerWaalsContact O-N 3.12Å; L1792-S1795 PolarHBondContact O-OG 2.97Å; S1795-N1797 PolarHBondContact O-N 3.05Å; S1795-L1798 VanDerWaalsContact O-CB 3.27Å; S1795-L1798 WeakPolarHBondContact O-CB 3.48Å; S1795-L1798 PolarHBondContact O-N 3.46Å; S1795-L1798 WeakPolarHBondContact OG-CG 3.1Å; S1795-P1806 WeakPolarHBondContact O-CD 3.31Å; S1795-P1806 WeakPolarHBondContact O-CG 3.23Å
1796S57.2Low62.5Low19 Ų1934.9 Ų34.913%0.13321%0.213CC..G310 helixtrans-43-33.4174.6210000115.6L1798 T1802 N1804 D1805S1796-L1798 VanDerWaalsContact C-N 3.33Å; S1796-L1798 PolarHBondContact O-N 3.47Å; S1796-T1802 PolarHBondContact O-OG1 3.12Å; S1796-N1804 WeakPolarHBondContact CA-O 3.38Å; S1796-D1805 WeakPolarHBondContact CA-OD1 3.39Å; S1796-D1805 WeakPolarHBondContact CB-OD1 3.28Å; S1796-D1805 PolarHBondContact N-OD1 2.95Å; S1796-D1805 PolarHBondContact OG-OD1 3.11Å
1797N62.9Low63.7Low63 Ų6334.5 Ų34.534%0.33721%0.21SC..G310 helixtrans-79-7.5-179.3-66.8-48.1000114.7V756 T759 S1795 I1799V756-N1797 PolarHBondContact O-ND2 3.01Å; T759-N1797 WeakPolarHBondContact CG2-O 3.16Å; T759-N1797 PolarHBondContact OG1-O 2.91Å; S1795-N1797 PolarHBondContact O-N 3.05Å; N1797-I1799 VanDerWaalsContact C-N 3.27Å; N1797-I1799 PolarHBondContact O-N 2.84Å
1798L66.8Low64.8Low1 Ų135.6 Ų35.61%0.00522%0.215CC..G310 helixtrans-58-37.4179.9-90.3163.6000113.2T759 L1792 L1793 S1795 S1796 P1806 I1824 V1835 V1848 R1851T759-L1798 VanDerWaalsContact CG2-CA 3.5Å; T759-L1798 HydrophobicContact CG2-CD2 4.33Å; L1792-L1798 WeakPolarHBondContact O-CD1 3.08Å; L1793-L1798 WeakPolarHBondContact O-CD1 3.29Å; S1795-L1798 VanDerWaalsContact O-CB 3.27Å; S1795-L1798 WeakPolarHBondContact O-CB 3.48Å; S1795-L1798 PolarHBondContact O-N 3.46Å; S1795-L1798 WeakPolarHBondContact OG-CG 3.1Å; S1796-L1798 VanDerWaalsContact C-N 3.33Å; S1796-L1798 PolarHBondContact O-N 3.47Å; L1798-P1806 HydrophobicContact CB-CG 4.1Å; L1798-P1806 HydrophobicContact CD1-CG 3.87Å; L1798-I1824 HydrophobicContact CB-CD1 3.55Å; L1798-I1824 HydrophobicContact CD1-CD1 3.92Å; L1798-I1824 HydrophobicContact CD2-CD1 4.32Å; L1798-I1824 HydrophobicContact CG-CD1 4.15Å; L1798-V1835 HydrophobicContact CD2-CG1 4.06Å; L1798-V1848 HydrophobicContact CD2-CG2 3.75Å; L1798-R1851 VanDerWaalsContact O-CZ 3.26Å; L1798-R1851 PolarHBondContact O-NE 2.69Å; L1798-R1851 PolarHBondContact O-NH2 2.91Å
1799I68.1Low65.5Low2 Ų235 Ų351%0.0121%0.209CC..SBendtrans-103.5125.3-178.2-58.5179.5000108.3N1797 G1801 T1802 P1806 I1824 Y1829 W1833N1797-I1799 VanDerWaalsContact C-N 3.27Å; N1797-I1799 PolarHBondContact O-N 2.84Å; I1799-G1801 PolarHBondContact O-N 3.46Å; I1799-T1802 HydrophobicContact CB-CG2 4.04Å; I1799-T1802 HydrophobicContact CG2-CG2 3.79Å; I1799-T1802 PolarHBondContact O-OG1 2.86Å; I1799-P1806 HydrophobicContact CD1-CB 3.96Å; I1799-I1824 HydrophobicContact CD1-CD1 3.94Å; I1799-I1824 HydrophobicContact CD1-CG1 4.1Å; I1799-I1824 HydrophobicContact CG1-CD1 3.61Å; I1799-I1824 HydrophobicContact CG1-CG1 4.26Å; I1799-Y1829 HydrophobicContact CG2-CD2 4.21Å; I1799-Y1829 HydrophobicContact CG2-CE2 4.43Å; I1799-W1833 HydrophobicContact CD1-CG 4.2Å; I1799-W1833 HydrophobicContact CG1-CG 4.23Å; I1799-W1833 HydrophobicContact CG2-CD2 4.16Å; I1799-W1833 HydrophobicContact CG2-CZ2 3.78Å
1800P62.4Low66Low21 Ų2135.9 Ų35.914%0.13622%0.215CC..THydrogen-bonded Turntrans-62.6124.6178.2-22.233.9000111.4A849 Y1829 W1833A849-P1800 HydrophobicContact CB-CG 4.48Å; P1800-Y1829 WeakPolarHBondContact O-CE2 3.37Å; P1800-W1833 HydrophobicContact CG-CH2 4.4Å; P1800-W1833 HydrophobicContact CG-CZ3 4.49Å
1801G62.1Low66.8Low56 Ų5635.8 Ų35.858%0.57722%0.216SC*.THydrogen-bonded Turntrans97.4-10172.600000116.3I1799I1799-G1801 PolarHBondContact O-N 3.46Å
1802T63.5Low67.2Low14 Ų1436.9 Ų36.99%0.08621%0.211CC..  trans-82.8156.7176.451.80000113.1S1796 I1799 S1826 E1828 Y1829S1796-T1802 PolarHBondContact O-OG1 3.12Å; I1799-T1802 HydrophobicContact CB-CG2 4.04Å; I1799-T1802 HydrophobicContact CG2-CG2 3.79Å; I1799-T1802 PolarHBondContact O-OG1 2.86Å; T1802-S1826 VanDerWaalsContact CG2-OG 3.25Å; T1802-S1826 WeakPolarHBondContact CG2-OG 3.43Å; T1802-E1828 HydrophobicContact CG2-CB 4.26Å; T1802-Y1829 HydrophobicContact CG2-CD2 3.76Å; T1802-Y1829 HydrophobicContact CG2-CE2 3.76Å
1803Q60.8Low67.6Low93 Ų9338 Ų3844%0.43522%0.216SC..  trans-112.9-23.5170.3-60.8-173.5-0.100112.5E1828Q1803-E1828 PolarHBondContact N-OE1 3.46Å; Q1803-E1828 PolarHBondContact N-OE2 2.91Å
1804N68.5Low67.8Low83 Ų8337.7 Ų37.744%0.44421%0.214SC..SBendtrans-82.8146.7178.3-64.8-31000112.1S1796 E1828S1796-N1804 WeakPolarHBondContact CA-O 3.38Å; N1804-E1828 WeakPolarHBondContact CB-OE1 2.99Å; N1804-E1828 PolarHBondContact N-OE1 3.17Å; N1804-E1828 PolarHBondContact ND2-OE1 3.17Å
1805D68.3Low67.6Low91 Ų9137.6 Ų37.649%0.48722%0.219SC..PPolyproline II helixtrans-65.3131.6172.9-69.3-39.1000111N1794 S1796N1794-D1805 WeakPolarHBondContact O-CB 3.48Å; S1796-D1805 WeakPolarHBondContact CA-OD1 3.39Å; S1796-D1805 WeakPolarHBondContact CB-OD1 3.28Å; S1796-D1805 PolarHBondContact N-OD1 2.95Å; S1796-D1805 PolarHBondContact OG-OD1 3.11Å
1806P73.1Confident67.3Low6 Ų640.7 Ų40.74%0.03924%0.235CC..PPolyproline II helixtrans-82.5153.5-17837.2-38.2000110.8S1795 L1798 I1799 I1824 Y1825S1795-P1806 WeakPolarHBondContact O-CD 3.31Å; S1795-P1806 WeakPolarHBondContact O-CG 3.23Å; L1798-P1806 HydrophobicContact CB-CG 4.1Å; L1798-P1806 HydrophobicContact CD1-CG 3.87Å; I1799-P1806 HydrophobicContact CD1-CB 3.96Å; P1806-I1824 HydrophobicContact CB-CB 4.26Å; P1806-I1824 HydrophobicContact CB-CD1 4.26Å; P1806-I1824 HydrophobicContact CG-CD1 4.28Å; P1806-Y1825 WeakPolarHBondContact CA-O 3.48Å; P1806-Y1825 WeakPolarHBondContact CB-O 3.44Å
1807I75.4Confident67.6Low62 Ų6244.8 Ų44.832%0.31825%0.251SS..EExtended strand (participates in β ladder)trans-99.9129-176.2-61.7158.3000110.1L1809 I1824 Y1825 L1827 L1870I1807-L1809 PolarHBondContact O-N 3.22Å; I1807-I1824 WeakPolarHBondContact O-CA 3.48Å; I1807-Y1825 PolarHBondContact N-O 3.26Å; I1807-Y1825 PolarHBondContact O-N 3.28Å; I1807-L1827 HydrophobicContact CD1-CD1 4.17Å; I1807-L1827 HydrophobicContact CD1-CD2 4.26Å; I1807-L1827 HydrophobicContact CD1-CG 4.35Å; I1807-L1870 HydrophobicContact CB-CD1 4.33Å; I1807-L1870 HydrophobicContact CB-CD2 4.33Å; I1807-L1870 HydrophobicContact CD1-CD1 4.1Å; I1807-L1870 HydrophobicContact CD1-CD2 3.68Å; I1807-L1870 HydrophobicContact CD1-CG 4.49Å; I1807-L1870 HydrophobicContact CG2-CD1 3.62Å; I1807-L1870 HydrophobicContact CG2-CD2 4.49Å
1808V72.1Confident67.8Low32 Ų3245 Ų4519%0.19425%0.252CS..EExtended strand (participates in β ladder)trans-82.5114.2-176.1-175.70000110.7L1793 N1794 I1824L1793-V1808 VanDerWaalsContact C-CG2 3.46Å; L1793-V1808 HydrophobicContact CB-CG1 4.48Å; L1793-V1808 HydrophobicContact CB-CG2 3.58Å; L1793-V1808 WeakPolarHBondContact O-CG2 3.34Å; N1794-V1808 WeakPolarHBondContact OD1-CG2 3.44Å; V1808-I1824 HydrophobicContact CG2-CG2 4.34Å
1809L73.2Confident68.4Low17 Ų1745.7 Ų45.79%0.08925%0.254CS..EExtended strand (participates in β ladder)trans-87.8-50.7-174.4-58.2172.2000110.3K1763 I1807 V1823 L1870 P1871 I1873K1763-L1809 WeakPolarHBondContact CE-O 3.4Å; K1763-L1809 PolarHBondContact NZ-O 2.85Å; I1807-L1809 PolarHBondContact O-N 3.22Å; L1809-V1823 HydrophobicContact CD1-CG1 4.27Å; L1809-V1823 PolarHBondContact N-O 2.96Å; L1809-L1870 HydrophobicContact CD2-CB 4.15Å; L1809-P1871 HydrophobicContact CD1-CG 4.05Å; L1809-P1871 VanDerWaalsContact CD1-O 3.22Å; L1809-P1871 WeakPolarHBondContact CD1-O 3.48Å; L1809-P1871 WeakPolarHBondContact CD2-O 3.47Å; L1809-I1873 HydrophobicContact CB-CB 4.37Å; L1809-I1873 HydrophobicContact CD1-CB 4.2Å; L1809-I1873 HydrophobicContact CD1-CD1 3.67Å; L1809-I1873 HydrophobicContact CD1-CG1 4.07Å
1810C70.4Confident69Low19 Ų1945.6 Ų45.613%0.12825%0.254CS..EExtended strand (participates in β ladder)trans-155156.9174.653.40000111.8S1822 V1823 I1873 I1875C1810-S1822 WeakPolarHBondContact O-CA 3.36Å; C1810-V1823 PolarHBondContact O-N 2.85Å; C1810-I1873 PolarHBondContact SG-O 3.05Å; C1810-I1875 HydrophobicContact CB-CD1 4.36Å; C1810-I1875 VanDerWaalsContact SG-CD1 3.52Å
1811A76.5Confident70Confident10 Ų1044.6 Ų44.68%0.08325%0.247CC..EExtended strand (participates in β ladder)trans-150.3136.3178.800000111.2L1764 I1820 V1821 S1822L1764-A1811 HydrophobicContact CB-CB 4.39Å; A1811-I1820 HydrophobicContact CB-CG2 4.31Å; A1811-V1821 CarbonylContact C-O 3.59Å; A1811-V1821 WeakPolarHBondContact CA-O 3.33Å; A1811-S1822 WeakPolarHBondContact CB-OG 3.35Å
1812Q71.7Confident71Confident81 Ų8142 Ų4238%0.37922%0.22SC..EExtended strand (participates in β ladder)trans-141.4143.7180-165.4-179.618.800111.6V1821 L1877Q1812-V1821 PolarHBondContact N-O 2.83Å; Q1812-V1821 PolarHBondContact O-N 2.93Å; Q1812-L1877 HydrophobicContact CG-CD1 4.21Å
1813F71.7Confident71.9Confident26 Ų2641.3 Ų41.311%0.11422%0.216CC..EExtended strand (participates in β ladder)trans-79.7143.4168.9-80.6-79.5000112.3L1764 I1782 F1784 K1817 I1820 N1839 L1877L1764-F1813 HydrophobicContact CD1-CD2 4.46Å; L1764-F1813 HydrophobicContact CD1-CE2 3.95Å; L1764-F1813 HydrophobicContact CD2-CD2 4.4Å; L1764-F1813 HydrophobicContact CD2-CE2 3.6Å; L1764-F1813 HydrophobicContact CD2-CZ 4.27Å; L1764-F1813 HydrophobicContact CG-CE2 4.42Å; I1782-F1813 HydrophobicContact CD1-CD2 3.83Å; I1782-F1813 HydrophobicContact CD1-CE2 3.74Å; F1784-F1813 AromaticContact CE1-CE2 3.92Å; F1784-F1813 HydrophobicContact CE1-CE2 3.92Å; F1784-F1813 AromaticContact CE1-CZ 3.47Å; F1784-F1813 HydrophobicContact CE1-CZ 3.47Å; F1784-F1813 VanDerWaalsContact CE1-CZ 3.47Å; F1784-F1813 AromaticContact CZ-CE2 3.79Å; F1784-F1813 HydrophobicContact CZ-CE2 3.79Å; F1784-F1813 AromaticContact CZ-CZ 3.78Å; F1784-F1813 HydrophobicContact CZ-CZ 3.78Å; F1813-K1817 HydrophobicContact CD1-CB 4.47Å; F1813-I1820 HydrophobicContact CD1-CG1 4.13Å; F1813-I1820 HydrophobicContact CE1-CD1 4.15Å; F1813-I1820 HydrophobicContact CE1-CG1 3.46Å; F1813-I1820 VanDerWaalsContact CE1-CG1 3.46Å; F1813-I1820 HydrophobicContact CZ-CD1 3.95Å; F1813-I1820 HydrophobicContact CZ-CG1 3.66Å; F1813-N1839 HydrophobicContact CE1-CB 4.5Å; F1813-L1877 WeakPolarHBondContact O-CD1 3.33Å
1814T70.3Confident73Confident2 Ų237 Ų371%0.01220%0.196CC..  trans-61.5152.4161.253.90000110.9D1816 K1817 L1818 Y1819 V1821 L1877 G1881 I1899T1814-D1816 WeakPolarHBondContact CB-OD1 3.16Å; T1814-D1816 PolarHBondContact O-N 2.84Å; T1814-D1816 VanDerWaalsContact O-N 3.13Å; T1814-D1816 PolarHBondContact OG1-OD1 3.13Å; T1814-K1817 WeakPolarHBondContact O-CA 3.29Å; T1814-K1817 PolarHBondContact O-N 2.9Å; T1814-L1818 PolarHBondContact OG1-N 3.35Å; T1814-Y1819 HydrophobicContact CG2-CD2 4.19Å; T1814-Y1819 PolarHBondContact N-O 2.81Å; T1814-Y1819 VanDerWaalsContact N-O 3.15Å; T1814-Y1819 PolarHBondContact OG1-N 3.26Å; T1814-Y1819 PolarHBondContact OG1-O 3.2Å; T1814-V1821 HydrophobicContact CG2-CG2 4.26Å; T1814-L1877 HydrophobicContact CG2-CD1 4.28Å; T1814-G1881 WeakPolarHBondContact CG2-O 3.35Å; T1814-I1899 HydrophobicContact CG2-CD1 4.25Å
1815P58.9Low73.6Confident92 Ų9234.3 Ų34.360%0.59718%0.18SC*.THydrogen-bonded Turntrans-61.7-22.4-179.3-24.637000114.1K1817P1815-K1817 VanDerWaalsContact C-N 3.34Å
1816D59.1Low74Confident64 Ų6430 Ų3034%0.34216%0.157SC..THydrogen-bonded Turntrans-85-0.6171.763.611000114T1814 L1818 R1882T1814-D1816 WeakPolarHBondContact CB-OD1 3.16Å; T1814-D1816 PolarHBondContact O-N 2.84Å; T1814-D1816 VanDerWaalsContact O-N 3.13Å; T1814-D1816 PolarHBondContact OG1-OD1 3.13Å; D1816-L1818 HydrophobicContact CB-CD1 4.46Å; D1816-L1818 HydrophobicContact CB-CG 4.35Å; D1816-L1818 PolarHBondContact O-N 3.36Å; D1816-L1818 VanDerWaalsContact O-N 3.09Å; D1816-L1818 PolarHBondContact OD1-N 2.58Å; D1816-R1882 IonicContact OD2-CZ 2.6Å; D1816-R1882 IonicContact OD2-NE 3.55Å; D1816-R1882 PolarHBondContact OD2-NE 2.72Å; D1816-R1882 IonicContact OD2-NH2 2.64Å; D1816-R1882 PolarHBondContact OD2-NH2 2.72Å
1817K63.7Low73.8Confident106 Ų10632.7 Ų32.746%0.46117%0.171SC..SBendtrans57.510-177.5-58.9-174.8178.6-176.70116.5F1813 T1814 P1815 N1839F1813-K1817 HydrophobicContact CD1-CB 4.47Å; T1814-K1817 WeakPolarHBondContact O-CA 3.29Å; T1814-K1817 PolarHBondContact O-N 2.9Å; P1815-K1817 VanDerWaalsContact C-N 3.34Å; K1817-N1839 PolarHBondContact O-ND2 3Å
1818L66.9Low73.3Confident66 Ų6633.3 Ų33.335%0.34617%0.172SC..SBendtrans-75.2-26.5-175.9-68178.3000113.7T1814 D1816 N1839T1814-L1818 PolarHBondContact OG1-N 3.35Å; D1816-L1818 HydrophobicContact CB-CD1 4.46Å; D1816-L1818 HydrophobicContact CB-CG 4.35Å; D1816-L1818 PolarHBondContact O-N 3.36Å; D1816-L1818 VanDerWaalsContact O-N 3.09Å; D1816-L1818 PolarHBondContact OD1-N 2.58Å; L1818-N1839 WeakPolarHBondContact O-CB 3.41Å; L1818-N1839 PolarHBondContact O-N 3.18Å
1819Y79.6Confident73Confident16 Ų1635.4 Ų35.46%0.06318%0.177CC..EExtended strand (participates in β ladder)trans-131.6146.1-178.1-48.2-98.1000111.3T1814 I1836 I1837 H1838 R1882 I1899T1814-Y1819 HydrophobicContact CG2-CD2 4.19Å; T1814-Y1819 PolarHBondContact N-O 2.81Å; T1814-Y1819 VanDerWaalsContact N-O 3.15Å; T1814-Y1819 PolarHBondContact OG1-N 3.26Å; T1814-Y1819 PolarHBondContact OG1-O 3.2Å; Y1819-I1836 HydrophobicContact CD1-CG2 3.64Å; Y1819-I1836 HydrophobicContact CG-CG2 4.17Å; Y1819-I1837 WeakPolarHBondContact CA-O 3.27Å; Y1819-H1838 AromaticContact CE1-CD2 3.77Å; Y1819-R1882 VanDerWaalsContact CE2-CZ 3.42Å; Y1819-R1882 PolarHBondContact OH-NH1 2.76Å; Y1819-R1882 VanDerWaalsContact OH-NH1 3.14Å; Y1819-I1899 HydrophobicContact CE1-CG2 4.45Å
1820I79.8Confident73Confident0 Ų040.6 Ų40.60%020%0.201CC..EExtended strand (participates in β ladder)trans-97.1121.8162-50.2172.6000106.2I1789 A1811 F1813 S1822 I1837I1789-I1820 HydrophobicContact CG2-CD1 3.37Å; A1811-I1820 HydrophobicContact CB-CG2 4.31Å; F1813-I1820 HydrophobicContact CD1-CG1 4.13Å; F1813-I1820 HydrophobicContact CE1-CD1 4.15Å; F1813-I1820 HydrophobicContact CE1-CG1 3.46Å; F1813-I1820 VanDerWaalsContact CE1-CG1 3.46Å; F1813-I1820 HydrophobicContact CZ-CD1 3.95Å; F1813-I1820 HydrophobicContact CZ-CG1 3.66Å; I1820-S1822 WeakPolarHBondContact CG2-OG 3.32Å; I1820-I1837 HydrophobicContact CB-CB 4.32Å; I1820-I1837 PolarHBondContact N-O 3.21Å; I1820-I1837 PolarHBondContact O-N 3.49Å
1821V83.8Confident73.2Confident0 Ų041.4 Ų41.40%020%0.204CC..EExtended strand (participates in β ladder)trans-98.6118.3170.6-175.20000106.6A1811 Q1812 T1814 L1834 I1875 L1877 I1884 I1899A1811-V1821 CarbonylContact C-O 3.59Å; A1811-V1821 WeakPolarHBondContact CA-O 3.33Å; Q1812-V1821 PolarHBondContact N-O 2.83Å; Q1812-V1821 PolarHBondContact O-N 2.93Å; T1814-V1821 HydrophobicContact CG2-CG2 4.26Å; V1821-L1834 HydrophobicContact CG1-CD1 3.69Å; V1821-I1875 HydrophobicContact CG1-CD1 4.25Å; V1821-I1875 HydrophobicContact CG1-CG2 4Å; V1821-I1875 WeakPolarHBondContact O-CD1 3.39Å; V1821-L1877 HydrophobicContact CB-CD2 4.45Å; V1821-L1877 HydrophobicContact CG2-CD2 4.08Å; V1821-I1884 HydrophobicContact CG1-CD1 3.79Å; V1821-I1884 HydrophobicContact CG1-CG1 4.16Å; V1821-I1884 HydrophobicContact CG1-CG2 3.87Å; V1821-I1884 HydrophobicContact CG2-CD1 3.94Å; V1821-I1884 HydrophobicContact CG2-CG1 4.25Å; V1821-I1899 HydrophobicContact CG2-CD1 4.49Å
1822S83.4Confident73.5Confident1 Ų141 Ų411%0.00720%0.2CC..EExtended strand (participates in β ladder)trans-131151.2-176.2-60.70000111.2L1793 C1810 A1811 I1820 V1835L1793-S1822 VanDerWaalsContact CD2-OG 3.29Å; L1793-S1822 WeakPolarHBondContact CD2-OG 3.3Å; C1810-S1822 WeakPolarHBondContact O-CA 3.36Å; A1811-S1822 WeakPolarHBondContact CB-OG 3.35Å; I1820-S1822 WeakPolarHBondContact CG2-OG 3.32Å; S1822-V1835 PolarHBondContact N-O 2.89Å; S1822-V1835 PolarHBondContact O-N 2.87Å; S1822-V1835 VanDerWaalsContact O-O 3.11Å
1823V83.3Confident74.1Confident0 Ų037.4 Ų37.40%018%0.183CC..EExtended strand (participates in β ladder)trans-121135166.4-1780000110.4L1809 C1810 A1832 W1833 L1834 L1854 I1873 I1875 V1886L1809-V1823 HydrophobicContact CD1-CG1 4.27Å; L1809-V1823 PolarHBondContact N-O 2.96Å; C1810-V1823 PolarHBondContact O-N 2.85Å; V1823-A1832 HydrophobicContact CG1-CB 4.43Å; V1823-W1833 WeakPolarHBondContact CA-O 3.33Å; V1823-W1833 WeakPolarHBondContact CG1-O 3.29Å; V1823-L1834 HydrophobicContact CG2-CB 4.47Å; V1823-L1834 HydrophobicContact CG2-CD1 3.98Å; V1823-L1854 HydrophobicContact CG1-CD1 3.59Å; V1823-L1854 HydrophobicContact CG2-CD1 4.14Å; V1823-I1873 HydrophobicContact CB-CG2 3.73Å; V1823-I1873 HydrophobicContact CG1-CB 4.32Å; V1823-I1873 HydrophobicContact CG1-CD1 3.59Å; V1823-I1873 HydrophobicContact CG1-CG2 3.68Å; V1823-I1873 HydrophobicContact CG2-CG2 3.82Å; V1823-I1875 HydrophobicContact CG2-CD1 4.06Å; V1823-I1875 HydrophobicContact CG2-CG1 4Å; V1823-V1886 HydrophobicContact CG2-CG1 3.81Å; V1823-V1886 HydrophobicContact CG2-CG2 4.44Å
1824I83.5Confident74.8Confident2 Ų236.2 Ų36.21%0.0118%0.178CC..EExtended strand (participates in β ladder)trans-129.6158.7-175.963.8176.4000110.8L1798 I1799 P1806 I1807 V1808 A1832 W1833 V1835L1798-I1824 HydrophobicContact CB-CD1 3.55Å; L1798-I1824 HydrophobicContact CD1-CD1 3.92Å; L1798-I1824 HydrophobicContact CD2-CD1 4.32Å; L1798-I1824 HydrophobicContact CG-CD1 4.15Å; I1799-I1824 HydrophobicContact CD1-CD1 3.94Å; I1799-I1824 HydrophobicContact CD1-CG1 4.1Å; I1799-I1824 HydrophobicContact CG1-CD1 3.61Å; I1799-I1824 HydrophobicContact CG1-CG1 4.26Å; P1806-I1824 HydrophobicContact CB-CB 4.26Å; P1806-I1824 HydrophobicContact CB-CD1 4.26Å; P1806-I1824 HydrophobicContact CG-CD1 4.28Å; I1807-I1824 WeakPolarHBondContact O-CA 3.48Å; V1808-I1824 HydrophobicContact CG2-CG2 4.34Å; I1824-A1832 WeakPolarHBondContact O-CA 3.28Å; I1824-W1833 HydrophobicContact CG1-CB 3.97Å; I1824-W1833 PolarHBondContact N-O 3.03Å; I1824-W1833 VanDerWaalsContact N-O 3.09Å; I1824-W1833 PolarHBondContact O-N 3.19Å; I1824-V1835 HydrophobicContact CD1-CG2 3.68Å; I1824-V1835 HydrophobicContact CG1-CG2 3.95Å
1825Y81.5Confident75.6Confident27 Ų2736.2 Ų36.211%0.10618%0.178CC..EExtended strand (participates in β ladder)trans-117.5138.7179.7-173.5-120.8000113.3P1806 I1807 L1827 H1830 N1831 A1832 L1870 P1871P1806-Y1825 WeakPolarHBondContact CA-O 3.48Å; P1806-Y1825 WeakPolarHBondContact CB-O 3.44Å; I1807-Y1825 PolarHBondContact N-O 3.26Å; I1807-Y1825 PolarHBondContact O-N 3.28Å; Y1825-L1827 HydrophobicContact CD1-CD2 4.2Å; Y1825-L1827 HydrophobicContact CE1-CD2 4.11Å; Y1825-H1830 VanDerWaalsContact CE2-C 3.45Å; Y1825-H1830 WeakPolarHBondContact OH-CA 3.43Å; Y1825-N1831 WeakPolarHBondContact CD2-O 3.34Å; Y1825-A1832 HydrophobicContact CD2-CB 4.37Å; Y1825-L1870 HydrophobicContact CD1-CD2 3.47Å; Y1825-L1870 VanDerWaalsContact CD1-CD2 3.47Å; Y1825-L1870 HydrophobicContact CE1-CD2 3.96Å; Y1825-L1870 HydrophobicContact CG-CD2 4.35Å; Y1825-P1871 HydrophobicContact CD2-CG 3.34Å; Y1825-P1871 HydrophobicContact CE2-CG 3.56Å; Y1825-P1871 HydrophobicContact CG-CG 3.87Å
1826S76.5Confident76.8Confident2 Ų231.8 Ų31.81%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-92122.5169.2-179.50000110.9T1802 E1828 Y1829 H1830 N1831T1802-S1826 VanDerWaalsContact CG2-OG 3.25Å; T1802-S1826 WeakPolarHBondContact CG2-OG 3.43Å; S1826-E1828 VanDerWaalsContact C-N 3.3Å; S1826-E1828 PolarHBondContact OG-N 2.93Å; S1826-Y1829 PolarHBondContact OG-N 3.06Å; S1826-H1830 VanDerWaalsContact O-CA 3.31Å; S1826-H1830 WeakPolarHBondContact O-CA 3.22Å; S1826-H1830 PolarHBondContact O-N 2.87Å; S1826-H1830 VanDerWaalsContact O-N 3.13Å; S1826-N1831 PolarHBondContact N-O 3.47Å; S1826-N1831 PolarHBondContact O-N 2.95Å
1827L68.8Low77.7Confident62 Ų6228.8 Ų28.833%0.32513%0.133SC..THydrogen-bonded Turntrans-73-19.6170-67.8173.9000113.5I1807 Y1825 H1830I1807-L1827 HydrophobicContact CD1-CD1 4.17Å; I1807-L1827 HydrophobicContact CD1-CD2 4.26Å; I1807-L1827 HydrophobicContact CD1-CG 4.35Å; Y1825-L1827 HydrophobicContact CD1-CD2 4.2Å; Y1825-L1827 HydrophobicContact CE1-CD2 4.11Å; L1827-H1830 PolarHBondContact O-CE1 2.83Å; L1827-H1830 PolarHBondContact O-ND1 2.97Å
1828E63.7Low78.3Confident74 Ų7425.8 Ų25.835%0.34612%0.121SC..THydrogen-bonded Turntrans-94.4-36.8-176.9-71.3166.1-117.600112.9T1802 Q1803 N1804 S1826T1802-E1828 HydrophobicContact CG2-CB 4.26Å; Q1803-E1828 PolarHBondContact N-OE1 3.46Å; Q1803-E1828 PolarHBondContact N-OE2 2.91Å; N1804-E1828 WeakPolarHBondContact CB-OE1 2.99Å; N1804-E1828 PolarHBondContact N-OE1 3.17Å; N1804-E1828 PolarHBondContact ND2-OE1 3.17Å; S1826-E1828 VanDerWaalsContact C-N 3.3Å; S1826-E1828 PolarHBondContact OG-N 2.93Å
1829Y67.7Low78.3Confident76 Ų7623.6 Ų23.630%0.29811%0.11SC..THydrogen-bonded Turntrans-95-2.5175.7-63.9-58.1000113.1I848 I1799 P1800 T1802 S1826 N1831I848-Y1829 HydrophobicContact CD1-CD1 4.4Å; I848-Y1829 HydrophobicContact CD1-CE1 4.14Å; I848-Y1829 HydrophobicContact CG2-CE1 4.42Å; I848-Y1829 HydrophobicContact CG2-CE2 4.24Å; I1799-Y1829 HydrophobicContact CG2-CD2 4.21Å; I1799-Y1829 HydrophobicContact CG2-CE2 4.43Å; P1800-Y1829 WeakPolarHBondContact O-CE2 3.37Å; T1802-Y1829 HydrophobicContact CG2-CD2 3.76Å; T1802-Y1829 HydrophobicContact CG2-CE2 3.76Å; S1826-Y1829 PolarHBondContact OG-N 3.06Å; Y1829-N1831 PolarHBondContact O-N 3.02Å; Y1829-N1831 VanDerWaalsContact O-N 3.11Å; Y1829-N1831 PolarHBondContact O-ND2 3.09Å
1830H72.5Confident77.5Confident127 Ų12724.9 Ų24.959%0.58812%0.118SC*.THydrogen-bonded Turntrans46.538.5-173.2-59.3-57000113.6Y1825 S1826 L1827Y1825-H1830 VanDerWaalsContact CE2-C 3.45Å; Y1825-H1830 WeakPolarHBondContact OH-CA 3.43Å; S1826-H1830 VanDerWaalsContact O-CA 3.31Å; S1826-H1830 WeakPolarHBondContact O-CA 3.22Å; S1826-H1830 PolarHBondContact O-N 2.87Å; S1826-H1830 VanDerWaalsContact O-N 3.13Å; L1827-H1830 PolarHBondContact O-CE1 2.83Å; L1827-H1830 PolarHBondContact O-ND1 2.97Å
1831N74.7Confident76.2Confident36 Ų3629.4 Ų29.419%0.19314%0.139CC..EExtended strand (participates in β ladder)trans-133.6142.9-169.6-97.8-78.6000111.5Y1825 S1826 Y1829 L1853 T1855Y1825-N1831 WeakPolarHBondContact CD2-O 3.34Å; S1826-N1831 PolarHBondContact N-O 3.47Å; S1826-N1831 PolarHBondContact O-N 2.95Å; Y1829-N1831 PolarHBondContact O-N 3.02Å; Y1829-N1831 VanDerWaalsContact O-N 3.11Å; Y1829-N1831 PolarHBondContact O-ND2 3.09Å; N1831-L1853 HydrophobicContact CB-CD1 3.9Å; N1831-T1855 VanDerWaalsContact OD1-CG2 3.24Å; N1831-T1855 WeakPolarHBondContact OD1-CG2 3.38Å
1832A81.8Confident74.6Confident1 Ų136.2 Ų36.21%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-92.5149.4176.400000112.2V1823 I1824 Y1825 L1854 P1871 I1873 L1888V1823-A1832 HydrophobicContact CG1-CB 4.43Å; I1824-A1832 WeakPolarHBondContact O-CA 3.28Å; Y1825-A1832 HydrophobicContact CD2-CB 4.37Å; A1832-L1854 HydrophobicContact CB-CB 4.13Å; A1832-L1854 HydrophobicContact CB-CD1 4.11Å; A1832-L1854 WeakPolarHBondContact O-CB 3.29Å; A1832-L1854 PolarHBondContact O-N 3Å; A1832-P1871 HydrophobicContact CB-CG 4.47Å; A1832-I1873 HydrophobicContact CB-CD1 3.37Å; A1832-L1888 HydrophobicContact CB-CD2 4.42Å
1833W84.2Confident73Confident6 Ų641.8 Ų41.82%0.02320%0.199CC..EExtended strand (participates in β ladder)trans-133.9122.9-174.8-70.770.8000111.1A849 L852 I1799 P1800 V1823 I1824 V1835 R1851 A1852 L1853A849-W1833 HydrophobicContact CB-CH2 4.08Å; L852-W1833 HydrophobicContact CD1-CH2 4.25Å; L852-W1833 HydrophobicContact CD1-CZ3 4.4Å; L852-W1833 HydrophobicContact CD2-CZ3 4.37Å; I1799-W1833 HydrophobicContact CD1-CG 4.2Å; I1799-W1833 HydrophobicContact CG1-CG 4.23Å; I1799-W1833 HydrophobicContact CG2-CD2 4.16Å; I1799-W1833 HydrophobicContact CG2-CZ2 3.78Å; P1800-W1833 HydrophobicContact CG-CH2 4.4Å; P1800-W1833 HydrophobicContact CG-CZ3 4.49Å; V1823-W1833 WeakPolarHBondContact CA-O 3.33Å; V1823-W1833 WeakPolarHBondContact CG1-O 3.29Å; I1824-W1833 HydrophobicContact CG1-CB 3.97Å; I1824-W1833 PolarHBondContact N-O 3.03Å; I1824-W1833 VanDerWaalsContact N-O 3.09Å; I1824-W1833 PolarHBondContact O-N 3.19Å; W1833-V1835 HydrophobicContact CB-CG2 4.38Å; W1833-R1851 HydrophobicContact CE3-CB 4.3Å; W1833-R1851 HydrophobicContact CZ3-CB 4.35Å; W1833-A1852 WeakPolarHBondContact CA-O 3.24Å; W1833-L1853 HydrophobicContact CD2-CD1 4.24Å; W1833-L1853 HydrophobicContact CZ2-CD1 3.92Å
1834L87.4Confident71.3Confident0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-75.5128.8164.517364.8000108.8L890 V1821 V1823 R1851 A1852 L1854 I1884 V1886 F1897L890-L1834 HydrophobicContact CD1-CD2 4Å; L890-L1834 HydrophobicContact CD1-CG 4.22Å; L890-L1834 HydrophobicContact CD2-CD2 3.7Å; V1821-L1834 HydrophobicContact CG1-CD1 3.69Å; V1823-L1834 HydrophobicContact CG2-CB 4.47Å; V1823-L1834 HydrophobicContact CG2-CD1 3.98Å; L1834-R1851 CarbonylContact O-C 3.24Å; L1834-R1851 WeakPolarHBondContact O-CA 3.5Å; L1834-A1852 HydrophobicContact CB-CB 4.32Å; L1834-A1852 PolarHBondContact N-O 2.95Å; L1834-A1852 PolarHBondContact O-N 3.28Å; L1834-L1854 HydrophobicContact CB-CD1 4.21Å; L1834-L1854 HydrophobicContact CB-CD2 4.07Å; L1834-L1854 HydrophobicContact CB-CG 4.26Å; L1834-I1884 HydrophobicContact CD1-CG2 4.45Å; L1834-I1884 HydrophobicContact CD2-CG2 4.41Å; L1834-V1886 HydrophobicContact CB-CG2 4.4Å; L1834-V1886 HydrophobicContact CD1-CG2 3.78Å; L1834-V1886 HydrophobicContact CD2-CG2 3.82Å; L1834-V1886 HydrophobicContact CG-CG2 4.21Å; L1834-F1897 HydrophobicContact CD2-CB 4.45Å; L1834-F1897 HydrophobicContact CD2-CD2 3.39Å; L1834-F1897 HydrophobicContact CD2-CE2 3.64Å; L1834-F1897 HydrophobicContact CD2-CG 3.94Å; L1834-F1897 HydrophobicContact CD2-CZ 4.38Å
1835V85.9Confident70Confident2 Ų248.4 Ų48.41%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-128.3132.1-179.9-1770000109.7L1798 S1822 I1824 W1833 I1837 V1848 G1850L1798-V1835 HydrophobicContact CD2-CG1 4.06Å; S1822-V1835 PolarHBondContact N-O 2.89Å; S1822-V1835 PolarHBondContact O-N 2.87Å; S1822-V1835 VanDerWaalsContact O-O 3.11Å; I1824-V1835 HydrophobicContact CD1-CG2 3.68Å; I1824-V1835 HydrophobicContact CG1-CG2 3.95Å; W1833-V1835 HydrophobicContact CB-CG2 4.38Å; V1835-I1837 HydrophobicContact CG1-CD1 4.32Å; V1835-I1837 HydrophobicContact CG1-CG1 4.07Å; V1835-V1848 HydrophobicContact CG1-CB 4.34Å; V1835-V1848 HydrophobicContact CG1-CG1 3.8Å; V1835-V1848 HydrophobicContact CG1-CG2 3.71Å; V1835-G1850 WeakPolarHBondContact CA-O 3.47Å
1836I84.6Confident69.1Low0 Ų047.3 Ų47.30%023%0.23CC..EExtended strand (participates in β ladder)trans-107.9119169.9-62.2-178.7000108.9L890 Y1819 V1848 I1849 G1850 I1884 I1899L890-I1836 HydrophobicContact CD1-CD1 4.48Å; L890-I1836 HydrophobicContact CD2-CD1 3.52Å; L890-I1836 HydrophobicContact CD2-CG1 4.24Å; L890-I1836 HydrophobicContact CG-CD1 3.83Å; L890-I1836 HydrophobicContact CG-CG1 4.43Å; Y1819-I1836 HydrophobicContact CD1-CG2 3.64Å; Y1819-I1836 HydrophobicContact CG-CG2 4.17Å; I1836-V1848 CarbonylContact O-C 3.59Å; I1836-V1848 WeakPolarHBondContact O-CA 3.36Å; I1836-I1849 PolarHBondContact O-N 3.45Å; I1836-G1850 PolarHBondContact N-O 3.45Å; I1836-G1850 PolarHBondContact O-N 2.88Å; I1836-I1884 HydrophobicContact CD1-CD1 3.67Å; I1836-I1884 HydrophobicContact CG1-CD1 4.18Å; I1836-I1899 HydrophobicContact CD1-CB 4.42Å; I1836-I1899 HydrophobicContact CD1-CD1 3.99Å; I1836-I1899 HydrophobicContact CD1-CG1 3.74Å; I1836-I1899 HydrophobicContact CD1-CG2 4.05Å
1837I78.3Confident68.6Low1 Ų148 Ų481%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-105.6134174.5-64.8145.2000108.9L1792 L1793 Y1819 I1820 V1835 P1847 V1848L1792-I1837 HydrophobicContact CD2-CB 4.39Å; L1792-I1837 HydrophobicContact CD2-CD1 3.76Å; L1792-I1837 HydrophobicContact CD2-CG1 3.75Å; L1792-I1837 HydrophobicContact CD2-CG2 3.69Å; L1793-I1837 HydrophobicContact CD2-CD1 3.41Å; L1793-I1837 VanDerWaalsContact CD2-CD1 3.41Å; Y1819-I1837 WeakPolarHBondContact CA-O 3.27Å; I1820-I1837 HydrophobicContact CB-CB 4.32Å; I1820-I1837 PolarHBondContact N-O 3.21Å; I1820-I1837 PolarHBondContact O-N 3.49Å; V1835-I1837 HydrophobicContact CG1-CD1 4.32Å; V1835-I1837 HydrophobicContact CG1-CG1 4.07Å; I1837-P1847 WeakPolarHBondContact CA-O 3.2Å; I1837-V1848 HydrophobicContact CG1-CG2 4.19Å
1838H75.5Confident68.8Low42 Ų4245.6 Ų45.619%0.19422%0.223CC..EExtended strand (participates in β ladder)trans-85.1129.1175.1-169.2-75.7000111.4Y1819 N1840 P1847 I1849Y1819-H1838 AromaticContact CE1-CD2 3.77Å; H1838-N1840 VanDerWaalsContact C-N 3.32Å; H1838-N1840 PolarHBondContact ND1-N 3.1Å; H1838-N1840 PolarHBondContact O-N 2.89Å; H1838-P1847 HydrophobicContact CB-CG 3.87Å; H1838-P1847 PolarHBondContact N-O 3.14Å; H1838-I1849 HydrophobicContact CB-CD1 3.6Å; H1838-I1849 HydrophobicContact CB-CG1 4.13Å
1839N68.1Low69.3Low21 Ų2144.5 Ų44.511%0.11222%0.219CC..  trans-80.273.6177.8-176.615.6000110.8F1813 K1817 L1818 Q1841F1813-N1839 HydrophobicContact CE1-CB 4.5Å; K1817-N1839 PolarHBondContact O-ND2 3Å; L1818-N1839 WeakPolarHBondContact O-CB 3.41Å; L1818-N1839 PolarHBondContact O-N 3.18Å; N1839-Q1841 PolarHBondContact O-N 3.24Å
1840N61.7Low69.9Low43 Ų4340.9 Ų40.923%0.2320%0.204CC..  trans-91.575.6-176.6-159-14.8000113.2H1838 I1842 H1843 N1845H1838-N1840 VanDerWaalsContact C-N 3.32Å; H1838-N1840 PolarHBondContact ND1-N 3.1Å; H1838-N1840 PolarHBondContact O-N 2.89Å; N1840-I1842 PolarHBondContact O-N 3Å; N1840-I1842 PolarHBondContact OD1-N 3.31Å; N1840-H1843 PolarHBondContact O-N 2.97Å; N1840-N1845 WeakPolarHBondContact CB-O 3.46Å
1841Q52.9Low70.5Confident95 Ų9535.6 Ų35.644%0.44418%0.179SC..THydrogen-bonded Turntrans-55.2-20.3178.7-63.1-175.6-39.700114.5N1839N1839-Q1841 PolarHBondContact O-N 3.24Å
1842I51.2Low71Confident142 Ų14233.9 Ų33.973%0.72817%0.17SC*.THydrogen-bonded Turntrans-77.2-30.4-175.9-58.2174.4000112.1N1840N1840-I1842 PolarHBondContact O-N 3Å; N1840-I1842 PolarHBondContact OD1-N 3.31Å
1843H49.1Very low70.9Confident119 Ų11934.9 Ų34.955%0.55118%0.175SC*.THydrogen-bonded Turntrans-122.25.2-165.9-67.6-65000115N1840 N1845N1840-H1843 PolarHBondContact O-N 2.97Å; H1843-N1845 PolarHBondContact O-N 2.87Å; H1843-N1845 PolarHBondContact O-ND2 2.89Å
1844N48.7Very low70.6Confident77 Ų7734.6 Ų34.641%0.41217%0.174SC..THydrogen-bonded Turntrans50.919.8-176.4-64.7-23.1000114.8N1786N1786-N1844 PolarHBondContact ND2-ND2 3.02Å; N1786-N1844 PolarHBondContact ND2-OD1 3.02Å
1845N55.4Low69.8Low64 Ų6435.5 Ų35.534%0.34218%0.18SC..  trans-121.5121.5-176.8-83.2-64.1000107.9N1840 H1843 P1847N1840-N1845 WeakPolarHBondContact CB-O 3.46Å; H1843-N1845 PolarHBondContact O-N 2.87Å; H1843-N1845 PolarHBondContact O-ND2 2.89Å; N1845-P1847 WeakPolarHBondContact O-CD 3.32Å
1846Y63.3Low68.8Low3 Ų336.9 Ų36.91%0.01219%0.189CC..  trans-113.980.7-171-60.2-71.8000109.6I1789 L1792I1789-Y1846 HydrophobicContact CD1-CD1 3.92Å; I1789-Y1846 HydrophobicContact CD1-CE1 3.36Å; I1789-Y1846 HydrophobicContact CD1-CE2 4.08Å; I1789-Y1846 HydrophobicContact CD1-CG 4.5Å; I1789-Y1846 VanDerWaalsContact CD1-CZ 3.45Å; I1789-Y1846 HydrophobicContact CG1-CD1 3.77Å; I1789-Y1846 HydrophobicContact CG1-CD2 3.65Å; I1789-Y1846 HydrophobicContact CG1-CE1 3.52Å; I1789-Y1846 HydrophobicContact CG1-CE2 3.36Å; I1789-Y1846 HydrophobicContact CG1-CG 3.84Å; L1792-Y1846 WeakPolarHBondContact CD2-O 3.49Å
1847P66Low67.4Low18 Ų1840 Ų4012%0.11721%0.205CC..  trans-71.7135.4-172.129.6-36.1000111.3Y760 I1837 H1838 N1845 I1849Y760-P1847 HydrophobicContact CD2-CB 3.5Å; Y760-P1847 VanDerWaalsContact CD2-CB 3.5Å; Y760-P1847 HydrophobicContact CE2-CB 3.94Å; Y760-P1847 HydrophobicContact CG-CB 3.9Å; I1837-P1847 WeakPolarHBondContact CA-O 3.2Å; H1838-P1847 HydrophobicContact CB-CG 3.87Å; H1838-P1847 PolarHBondContact N-O 3.14Å; N1845-P1847 WeakPolarHBondContact O-CD 3.32Å; P1847-I1849 HydrophobicContact CB-CG1 4.32Å; P1847-I1849 HydrophobicContact CG-CD1 4.34Å; P1847-I1849 HydrophobicContact CG-CG1 4.14Å; P1847-I1849 PolarHBondContact O-N 3.08Å
1848V73Confident66.3Low10 Ų1045.4 Ų45.46%0.06123%0.234CC..EExtended strand (participates in β ladder)trans-61.8118.5152.4176.60000108.8T759 L1798 V1835 I1836 I1837 G1850 R1851T759-V1848 HydrophobicContact CG2-CG2 4.05Å; L1798-V1848 HydrophobicContact CD2-CG2 3.75Å; V1835-V1848 HydrophobicContact CG1-CB 4.34Å; V1835-V1848 HydrophobicContact CG1-CG1 3.8Å; V1835-V1848 HydrophobicContact CG1-CG2 3.71Å; I1836-V1848 CarbonylContact O-C 3.59Å; I1836-V1848 WeakPolarHBondContact O-CA 3.36Å; I1837-V1848 HydrophobicContact CG1-CG2 4.19Å; V1848-G1850 WeakPolarHBondContact CG1-O 3.2Å; V1848-R1851 HydrophobicContact CG1-CG 3.72Å
1849I73.8Confident64.9Low51 Ų5152.6 Ų52.626%0.26227%0.268SS..EExtended strand (participates in β ladder)trans-107.2-26.9174.7-51.6-169.8000111.3C889 I1836 H1838 P1847C889-I1849 HydrophobicContact CB-CG2 3.79Å; C889-I1849 PolarHBondContact N-O 2.95Å; C889-I1849 VanDerWaalsContact N-O 3.14Å; C889-I1849 VanDerWaalsContact SG-C 3.59Å; I1836-I1849 PolarHBondContact O-N 3.45Å; H1838-I1849 HydrophobicContact CB-CD1 3.6Å; H1838-I1849 HydrophobicContact CB-CG1 4.13Å; P1847-I1849 HydrophobicContact CB-CG1 4.32Å; P1847-I1849 HydrophobicContact CG-CD1 4.34Å; P1847-I1849 HydrophobicContact CG-CG1 4.14Å; P1847-I1849 PolarHBondContact O-N 3.08Å
1850G80.1Confident64Low0 Ų056.6 Ų56.60%029%0.292CS..EExtended strand (participates in β ladder)trans-125.5136.8179.200000112.2N888 V1835 I1836 V1848N888-G1850 VanDerWaalsContact OD1-CA 3.32Å; N888-G1850 WeakPolarHBondContact OD1-CA 3.22Å; V1835-G1850 WeakPolarHBondContact CA-O 3.47Å; I1836-G1850 PolarHBondContact N-O 3.45Å; I1836-G1850 PolarHBondContact O-N 2.88Å; V1848-G1850 WeakPolarHBondContact CG1-O 3.2Å
1851R84.9Confident62.9Low17 Ų1763 Ų636%0.06432%0.318CS..EExtended strand (participates in β ladder)trans-133.9133.7166.9-71.7-172.9176.6123.8-16110.1N761 N888 L890 L1798 W1833 L1834 V1848N761-R1851 PolarHBondContact OD1-NH1 2.99Å; N761-R1851 PolarHBondContact OD1-NH2 2.97Å; N888-R1851 PolarHBondContact ND2-O 3.17Å; N888-R1851 PolarHBondContact OD1-N 3.05Å; N888-R1851 VanDerWaalsContact OD1-N 3.08Å; N888-R1851 PolarHBondContact OD1-O 2.87Å; L890-R1851 VanDerWaalsContact CD1-C 3.49Å; L1798-R1851 VanDerWaalsContact O-CZ 3.26Å; L1798-R1851 PolarHBondContact O-NE 2.69Å; L1798-R1851 PolarHBondContact O-NH2 2.91Å; W1833-R1851 HydrophobicContact CE3-CB 4.3Å; W1833-R1851 HydrophobicContact CZ3-CB 4.35Å; L1834-R1851 CarbonylContact O-C 3.24Å; L1834-R1851 WeakPolarHBondContact O-CA 3.5Å; V1848-R1851 HydrophobicContact CG1-CG 3.72Å
1852A84.5Confident62.5Low0 Ų064 Ų640%033%0.333CS..EExtended strand (participates in β ladder)trans-135.4132.4166.500000110.7V855 L890 W1833 L1834 L1854 F1897V855-A1852 HydrophobicContact CG1-CB 4.01Å; L890-A1852 HydrophobicContact CD1-CB 3.8Å; W1833-A1852 WeakPolarHBondContact CA-O 3.24Å; L1834-A1852 HydrophobicContact CB-CB 4.32Å; L1834-A1852 PolarHBondContact N-O 2.95Å; L1834-A1852 PolarHBondContact O-N 3.28Å; A1852-L1854 PolarHBondContact O-N 2.92Å; A1852-F1897 HydrophobicContact CB-CD1 4.35Å; A1852-F1897 HydrophobicContact CB-CE1 3.58Å; A1852-F1897 HydrophobicContact CB-CE2 4.48Å; A1852-F1897 HydrophobicContact CB-CZ 3.65Å
1853L81.2Confident62.1Low21 Ų2163.2 Ų63.211%0.1134%0.335CS..EExtended strand (participates in β ladder)trans-76.7118.4176.4-179.665.1000109.5K845 L852 N1831 W1833 T1855K845-L1853 HydrophobicContact CD-CD2 4.09Å; K845-L1853 HydrophobicContact CG-CD2 4.25Å; L852-L1853 HydrophobicContact CD1-CB 3.76Å; L852-L1853 HydrophobicContact CD1-CD2 4.27Å; L852-L1853 HydrophobicContact CD2-CB 4.41Å; N1831-L1853 HydrophobicContact CB-CD1 3.9Å; W1833-L1853 HydrophobicContact CD2-CD1 4.24Å; W1833-L1853 HydrophobicContact CZ2-CD1 3.92Å; L1853-T1855 HydrophobicContact CD2-CG2 3.75Å; L1853-T1855 HydrophobicContact CG-CG2 3.94Å; L1853-T1855 PolarHBondContact O-N 2.98Å; L1853-T1855 VanDerWaalsContact O-N 3.09Å
1854L78.1Confident61.7Low0 Ų062.4 Ų62.40%034%0.343CS..  trans-89.352.9179.6-53.7169.2000110V1823 A1832 L1834 A1852 I1873 V1886 L1888 K1895 F1897V1823-L1854 HydrophobicContact CG1-CD1 3.59Å; V1823-L1854 HydrophobicContact CG2-CD1 4.14Å; A1832-L1854 HydrophobicContact CB-CB 4.13Å; A1832-L1854 HydrophobicContact CB-CD1 4.11Å; A1832-L1854 WeakPolarHBondContact O-CB 3.29Å; A1832-L1854 PolarHBondContact O-N 3Å; L1834-L1854 HydrophobicContact CB-CD1 4.21Å; L1834-L1854 HydrophobicContact CB-CD2 4.07Å; L1834-L1854 HydrophobicContact CB-CG 4.26Å; A1852-L1854 PolarHBondContact O-N 2.92Å; L1854-I1873 HydrophobicContact CD1-CD1 4.35Å; L1854-V1886 HydrophobicContact CD1-CG1 3.68Å; L1854-V1886 HydrophobicContact CD2-CB 4.28Å; L1854-V1886 HydrophobicContact CD2-CG1 4.07Å; L1854-L1888 HydrophobicContact CB-CD1 4.22Å; L1854-L1888 HydrophobicContact CB-CD2 3.96Å; L1854-L1888 HydrophobicContact CD1-CD2 4.23Å; L1854-L1888 WeakPolarHBondContact O-CD1 3.4Å; L1854-K1895 HydrophobicContact CD2-CD 4.37Å; L1854-F1897 HydrophobicContact CD2-CE2 4.08Å; L1854-F1897 HydrophobicContact CD2-CZ 4.25Å
1855T69.7Low61.5Low20 Ų2067 Ų6712%0.12337%0.366CS..  trans-66.3134174.413.60000109.8K845 N1831 L1853 K1895K845-T1855 PolarHBondContact NZ-OG1 2.98Å; N1831-T1855 VanDerWaalsContact OD1-CG2 3.24Å; N1831-T1855 WeakPolarHBondContact OD1-CG2 3.38Å; L1853-T1855 HydrophobicContact CD2-CG2 3.75Å; L1853-T1855 HydrophobicContact CG-CG2 3.94Å; L1853-T1855 PolarHBondContact O-N 2.98Å; L1853-T1855 VanDerWaalsContact O-N 3.09Å; T1855-K1895 WeakPolarHBondContact O-CE 3.35Å; T1855-K1895 PolarHBondContact O-NZ 2.75Å
1856P64.5Low60.4Low31 Ų3171.8 Ų71.820%0.20139%0.387CS..  trans-64.6169.4166.931.1-36.7000111.4F1891 E1893P1856-F1891 HydrophobicContact CB-CB 4.1Å; P1856-F1891 HydrophobicContact CB-CD1 3.76Å; P1856-F1891 HydrophobicContact CB-CD2 4.44Å; P1856-F1891 HydrophobicContact CB-CE1 4.29Å; P1856-F1891 HydrophobicContact CB-CG 3.85Å; P1856-F1891 HydrophobicContact CG-CD1 3.81Å; P1856-F1891 HydrophobicContact CG-CE1 3.81Å; P1856-F1891 HydrophobicContact CG-CG 4.19Å; P1856-F1891 HydrophobicContact CG-CZ 4.19Å; P1856-E1893 WeakPolarHBondContact CA-OE1 3.28Å; P1856-E1893 WeakPolarHBondContact CB-OE1 3.49Å
1857I56.2Low59.2Low64 Ų6476.2 Ų76.233%0.32842%0.418SS..SBendtrans-79.2-48.2169.3-53.4168.7000109.5I896 Y898 E1893I896-I1857 HydrophobicContact CB-CD1 4.33Å; I896-I1857 HydrophobicContact CD1-CD1 3.88Å; I896-I1857 HydrophobicContact CD1-CG1 3.78Å; I896-I1857 HydrophobicContact CG1-CD1 3.79Å; I896-I1857 HydrophobicContact CG1-CG1 3.98Å; I896-I1857 HydrophobicContact CG2-CD1 3.54Å; Y898-I1857 HydrophobicContact CD1-CD1 3.72Å; Y898-I1857 HydrophobicContact CE1-CD1 3.52Å; I1857-E1893 WeakPolarHBondContact CG1-OE1 3.4Å; I1857-E1893 PolarHBondContact N-OE1 3.38Å
1858D53.8Low58.1Low115 Ų11580.3 Ų80.362%0.61545%0.447SS*.SBendtrans-90.4123.6-175.9-70.3-21.5000111V1860D1858-V1860 HydrophobicContact CB-CG2 4.27Å; D1858-V1860 PolarHBondContact O-N 3.36Å
1859E46.3Very low57.3Low194 Ų19486 Ų8691%0.90747%0.473SS*.  trans-73.775.2167.8-69.9-168.9167.300110.5K1861E1859-K1861 PolarHBondContact O-N 2.67Å
1860V49.3Very low56.6Low105 Ų10586.5 Ų86.564%0.63648%0.476SS*.  trans-64.4102.5171.6-176.30000108.7D1858D1858-V1860 HydrophobicContact CB-CG2 4.27Å; D1858-V1860 PolarHBondContact O-N 3.36Å
1861K39.4Very low56Low178 Ų17886.9 Ų86.977%0.77448%0.478SS*.  trans-54.8127.6173.5-67.6-179.3179.9177.50109.3E1859 T1863E1859-K1861 PolarHBondContact O-N 2.67Å; K1861-T1863 PolarHBondContact O-N 2.64Å
1862P45Very low55.1Low115 Ų11588.1 Ų88.175%0.74749%0.489SS*.  trans-63.7112.3-178.924.7-33.3000110.3
1863T42.2Very low54.6Low126 Ų12688.7 Ų88.777%0.77349%0.492SS*.SBendtrans-83.2113.5176.150.70000109.8K1861K1861-T1863 PolarHBondContact O-N 2.64Å
1864S40.3Very low54.1Low102 Ų10290.5 Ų90.571%0.71350%0.499SS*.SBendtrans74.6155.6-16981.60000115.1
1865L43.8Very low53.9Low173 Ų17391.7 Ų91.791%0.90651%0.506SS*.  trans-11513.9-163.5-141.785000113.3
1866E33.5Very low53.9Low165 Ų16593 Ų9377%0.77151%0.51SS*.  trans-113.8123.1-164.7-63.8-172.7157.200112.9
1867S36.8Very low54.2Low95 Ų9592.7 Ų92.766%0.66451%0.507SS*.  trans64.8121.8178.266.40000116.5E1869S1867-E1869 PolarHBondContact O-N 2.7Å
1868S43.5Very low54.5Low105 Ų10590 Ų9073%0.73450%0.495SS*.  trans-81.775-176.456.60000112
1869E55.9Low54.4Low128 Ų12894.7 Ų94.760%0.59851%0.505SS*.PPolyproline II helixtrans-65.4137.4169.9-68.6-176.9169.600110.1K927 S1867K927-E1869 IonicContact NZ-OE1 3.51Å; K927-E1869 PolarHBondContact NZ-OE1 2.75Å; K927-E1869 IonicContact NZ-OE2 2.62Å; S1867-E1869 PolarHBondContact O-N 2.7Å
1870L59.2Low54.9Low63 Ų6389.1 Ų89.133%0.3348%0.482SS..PPolyproline II helixtrans-87.6150.7-174.4-66.5164.5000110.8I1807 L1809 Y1825 S1872I1807-L1870 HydrophobicContact CB-CD1 4.33Å; I1807-L1870 HydrophobicContact CB-CD2 4.33Å; I1807-L1870 HydrophobicContact CD1-CD1 4.1Å; I1807-L1870 HydrophobicContact CD1-CD2 3.68Å; I1807-L1870 HydrophobicContact CD1-CG 4.49Å; I1807-L1870 HydrophobicContact CG2-CD1 3.62Å; I1807-L1870 HydrophobicContact CG2-CD2 4.49Å; L1809-L1870 HydrophobicContact CD2-CB 4.15Å; Y1825-L1870 HydrophobicContact CD1-CD2 3.47Å; Y1825-L1870 VanDerWaalsContact CD1-CD2 3.47Å; Y1825-L1870 HydrophobicContact CE1-CD2 3.96Å; Y1825-L1870 HydrophobicContact CG-CD2 4.35Å; L1870-S1872 PolarHBondContact O-N 3.09Å; L1870-S1872 VanDerWaalsContact O-N 3.16Å
1871P67.6Low55.5Low7 Ų784.1 Ų84.15%0.04545%0.452CS..PPolyproline II helixtrans-69.1118.3176.626.9-31.4000111.1L1809 Y1825 A1832 I1873 T1890L1809-P1871 HydrophobicContact CD1-CG 4.05Å; L1809-P1871 VanDerWaalsContact CD1-O 3.22Å; L1809-P1871 WeakPolarHBondContact CD1-O 3.48Å; L1809-P1871 WeakPolarHBondContact CD2-O 3.47Å; Y1825-P1871 HydrophobicContact CD2-CG 3.34Å; Y1825-P1871 HydrophobicContact CE2-CG 3.56Å; Y1825-P1871 HydrophobicContact CG-CG 3.87Å; A1832-P1871 HydrophobicContact CB-CG 4.47Å; P1871-I1873 HydrophobicContact CB-CD1 4.35Å; P1871-I1873 HydrophobicContact CB-CG1 4.41Å; P1871-I1873 HydrophobicContact CG-CD1 4.44Å; P1871-I1873 PolarHBondContact O-N 3Å; P1871-T1890 HydrophobicContact CB-CG2 4.18Å; P1871-T1890 VanDerWaalsContact CB-OG1 3.27Å; P1871-T1890 WeakPolarHBondContact CB-OG1 3.29Å
1872S66.4Low57.2Low43 Ų4377 Ų7730%0.30142%0.42SS..PPolyproline II helixtrans-63.8124.1167.830.80000109.9L1870 D1889L1870-S1872 PolarHBondContact O-N 3.09Å; L1870-S1872 VanDerWaalsContact O-N 3.16Å; S1872-D1889 VanDerWaalsContact O-CB 3.31Å; S1872-D1889 WeakPolarHBondContact O-CB 3.26Å; S1872-D1889 PolarHBondContact O-N 2.67Å; S1872-D1889 WeakPolarHBondContact OG-CB 3.49Å
1873I73.5Confident58.7Low12 Ų1272 Ų726%0.06239%0.387CS..EExtended strand (participates in β ladder)trans-140.4139-174-68.7-177.7000110.4L1809 C1810 V1823 A1832 L1854 P1871 V1886 K1887 L1888L1809-I1873 HydrophobicContact CB-CB 4.37Å; L1809-I1873 HydrophobicContact CD1-CB 4.2Å; L1809-I1873 HydrophobicContact CD1-CD1 3.67Å; L1809-I1873 HydrophobicContact CD1-CG1 4.07Å; C1810-I1873 PolarHBondContact SG-O 3.05Å; V1823-I1873 HydrophobicContact CB-CG2 3.73Å; V1823-I1873 HydrophobicContact CG1-CB 4.32Å; V1823-I1873 HydrophobicContact CG1-CD1 3.59Å; V1823-I1873 HydrophobicContact CG1-CG2 3.68Å; V1823-I1873 HydrophobicContact CG2-CG2 3.82Å; A1832-I1873 HydrophobicContact CB-CD1 3.37Å; L1854-I1873 HydrophobicContact CD1-CD1 4.35Å; P1871-I1873 HydrophobicContact CB-CD1 4.35Å; P1871-I1873 HydrophobicContact CB-CG1 4.41Å; P1871-I1873 HydrophobicContact CG-CD1 4.44Å; P1871-I1873 PolarHBondContact O-N 3Å; I1873-V1886 HydrophobicContact CG2-CG1 3.84Å; I1873-K1887 VanDerWaalsContact CA-O 3.3Å; I1873-K1887 WeakPolarHBondContact CA-O 3.49Å; I1873-K1887 VanDerWaalsContact CG2-O 3.24Å; I1873-K1887 WeakPolarHBondContact CG2-O 3.5Å; I1873-L1888 HydrophobicContact CD1-CD2 3.37Å; I1873-L1888 HydrophobicContact CG1-CD2 3.76Å
1874K70.4Confident60.5Low59 Ų5966 Ų6626%0.25735%0.35SS..EExtended strand (participates in β ladder)trans-124.1146.2178-57.5-173-179.8-171.60111.4E932 V1886 K1887 D1889E932-K1874 WeakPolarHBondContact O-CD 3.39Å; E932-K1874 WeakPolarHBondContact O-CE 3.21Å; E932-K1874 PolarHBondContact O-NZ 3.44Å; K1874-V1886 WeakPolarHBondContact O-CA 3.38Å; K1874-K1887 HydrophobicContact CB-CB 4.23Å; K1874-K1887 PolarHBondContact N-O 3.09Å; K1874-K1887 PolarHBondContact O-N 3.25Å; K1874-D1889 WeakPolarHBondContact CE-OD2 3.31Å
1875I75.6Confident62.3Low26 Ų2661.1 Ų61.113%0.13332%0.316CS..EExtended strand (participates in β ladder)trans-112.3141174.3-63.8159.1000108.1C1810 V1821 V1823 L1877 I1884 I1885C1810-I1875 HydrophobicContact CB-CD1 4.36Å; C1810-I1875 VanDerWaalsContact SG-CD1 3.52Å; V1821-I1875 HydrophobicContact CG1-CD1 4.25Å; V1821-I1875 HydrophobicContact CG1-CG2 4Å; V1821-I1875 WeakPolarHBondContact O-CD1 3.39Å; V1823-I1875 HydrophobicContact CG2-CD1 4.06Å; V1823-I1875 HydrophobicContact CG2-CG1 4Å; I1875-L1877 HydrophobicContact CG2-CD2 4.1Å; I1875-L1877 HydrophobicContact CG2-CG 4.46Å; I1875-I1884 HydrophobicContact CG2-CG2 4.27Å; I1875-I1885 CarbonylContact C-O 3.58Å; I1875-I1885 WeakPolarHBondContact CA-O 3.16Å
1876Q69.6Low63.8Low47 Ų4752.9 Ų52.922%0.2227%0.273CS..EExtended strand (participates in β ladder)trans-133.4142.8162.3-165.4-179.821.500110.9I934 I936 I1885I934-Q1876 HydrophobicContact CG2-CB 4.34Å; I936-Q1876 HydrophobicContact CD1-CB 4.49Å; I936-Q1876 HydrophobicContact CD1-CG 4.04Å; I936-Q1876 HydrophobicContact CG1-CG 4.49Å; Q1876-I1885 PolarHBondContact N-O 2.83Å; Q1876-I1885 PolarHBondContact O-N 3.18Å
1877L70.7Confident65.6Low25 Ų2545.1 Ų45.113%0.13124%0.237CC..EExtended strand (participates in β ladder)trans-109.9137.4177.5-55.2179.7000111Q1812 F1813 T1814 V1821 I1875 L1883 I1884Q1812-L1877 HydrophobicContact CG-CD1 4.21Å; F1813-L1877 WeakPolarHBondContact O-CD1 3.33Å; T1814-L1877 HydrophobicContact CG2-CD1 4.28Å; V1821-L1877 HydrophobicContact CB-CD2 4.45Å; V1821-L1877 HydrophobicContact CG2-CD2 4.08Å; I1875-L1877 HydrophobicContact CG2-CD2 4.1Å; I1875-L1877 HydrophobicContact CG2-CG 4.46Å; L1877-L1883 WeakPolarHBondContact CA-O 3.32Å; L1877-I1884 HydrophobicContact CD2-CB 4.28Å; L1877-I1884 HydrophobicContact CD2-CG1 3.74Å; L1877-I1884 HydrophobicContact CD2-CG2 4.31Å
1878G61.3Low67.2Low8 Ų840.7 Ų40.78%0.08221%0.205CC..  trans-70.2167.5167.900000112.2N1880 G1881 L1883G1878-N1880 VanDerWaalsContact C-N 3.27Å; G1878-N1880 PolarHBondContact O-N 2.73Å; G1878-G1881 WeakPolarHBondContact O-CA 3.44Å; G1878-G1881 PolarHBondContact O-N 2.66Å; G1878-L1883 PolarHBondContact N-O 2.88Å
1879Y53Low67.9Low212 Ų21236.3 Ų36.383%0.83117%0.174SC*.THydrogen-bonded Turntrans-49.3-40-171.6-173.5-102.6000114.9G1881Y1879-G1881 VanDerWaalsContact C-N 3.29Å; Y1879-G1881 PolarHBondContact O-N 2.85Å
1880N55.6Low68.2Low78 Ų7833.7 Ų33.742%0.41717%0.167SC..THydrogen-bonded Turntrans-80.2-2.5179.2-67.31.2000114G1878 R1882 P1922G1878-N1880 VanDerWaalsContact C-N 3.27Å; G1878-N1880 PolarHBondContact O-N 2.73Å; N1880-R1882 WeakPolarHBondContact O-CG 3.41Å; N1880-R1882 PolarHBondContact O-N 3.19Å; N1880-R1882 VanDerWaalsContact O-N 3.13Å; N1880-P1922 PolarHBondContact ND2-O 3.19Å
1881G62.2Low68.2Low0 Ų034 Ų340%017%0.166CC..SBendtrans72-6.8-172.900000116T1814 G1878 Y1879T1814-G1881 WeakPolarHBondContact CG2-O 3.35Å; G1878-G1881 WeakPolarHBondContact O-CA 3.44Å; G1878-G1881 PolarHBondContact O-N 2.66Å; Y1879-G1881 VanDerWaalsContact C-N 3.29Å; Y1879-G1881 PolarHBondContact O-N 2.85Å
1882R74.5Confident67.9Low27 Ų2737.1 Ų37.110%0.10218%0.178CC..  trans-100.6-4.8-170.6-58.4-47.9178123.7-3.6114.3D1816 Y1819 N1880 T1898 I1899 P1922D1816-R1882 IonicContact OD2-CZ 2.6Å; D1816-R1882 IonicContact OD2-NE 3.55Å; D1816-R1882 PolarHBondContact OD2-NE 2.72Å; D1816-R1882 IonicContact OD2-NH2 2.64Å; D1816-R1882 PolarHBondContact OD2-NH2 2.72Å; Y1819-R1882 VanDerWaalsContact CE2-CZ 3.42Å; Y1819-R1882 PolarHBondContact OH-NH1 2.76Å; Y1819-R1882 VanDerWaalsContact OH-NH1 3.14Å; N1880-R1882 WeakPolarHBondContact O-CG 3.41Å; N1880-R1882 PolarHBondContact O-N 3.19Å; N1880-R1882 VanDerWaalsContact O-N 3.13Å; R1882-T1898 CarbonylContact O-C 3.51Å; R1882-T1898 VanDerWaalsContact O-CA 3.27Å; R1882-T1898 WeakPolarHBondContact O-CA 3.43Å; R1882-I1899 PolarHBondContact O-N 2.88Å; R1882-P1922 HydrophobicContact CB-CB 3.73Å; R1882-P1922 HydrophobicContact CB-CG 3.28Å; R1882-P1922 HydrophobicContact CG-CB 4.29Å; R1882-P1922 HydrophobicContact CG-CG 4.3Å
1883L77.3Confident67.7Low11 Ų1135.7 Ų35.76%0.05817%0.167CC..EExtended strand (participates in β ladder)trans-103.9124165.1179.769.5000107.3L893 V972 L1877 G1878 L1896 T1898 L1921L893-L1883 HydrophobicContact CD1-CD1 3.67Å; V972-L1883 HydrophobicContact CG1-CD2 4.34Å; L1877-L1883 WeakPolarHBondContact CA-O 3.32Å; G1878-L1883 PolarHBondContact N-O 2.88Å; L1883-L1896 HydrophobicContact CD1-CD2 4.3Å; L1883-T1898 HydrophobicContact CD1-CG2 4Å; L1883-L1921 HydrophobicContact CD1-CD2 4.21Å; L1883-L1921 HydrophobicContact CD2-CD2 4.49Å
1884I80Confident67.5Low0 Ų035.2 Ų35.20%017%0.165CC..EExtended strand (participates in β ladder)trans-112.8135.7177.4-56.7164000108L890 V1821 L1834 I1836 I1875 L1877 V1886 L1896 F1897 I1899L890-I1884 HydrophobicContact CD2-CD1 4.12Å; V1821-I1884 HydrophobicContact CG1-CD1 3.79Å; V1821-I1884 HydrophobicContact CG1-CG1 4.16Å; V1821-I1884 HydrophobicContact CG1-CG2 3.87Å; V1821-I1884 HydrophobicContact CG2-CD1 3.94Å; V1821-I1884 HydrophobicContact CG2-CG1 4.25Å; L1834-I1884 HydrophobicContact CD1-CG2 4.45Å; L1834-I1884 HydrophobicContact CD2-CG2 4.41Å; I1836-I1884 HydrophobicContact CD1-CD1 3.67Å; I1836-I1884 HydrophobicContact CG1-CD1 4.18Å; I1875-I1884 HydrophobicContact CG2-CG2 4.27Å; L1877-I1884 HydrophobicContact CD2-CB 4.28Å; L1877-I1884 HydrophobicContact CD2-CG1 3.74Å; L1877-I1884 HydrophobicContact CD2-CG2 4.31Å; I1884-V1886 HydrophobicContact CG2-CG2 3.85Å; I1884-L1896 WeakPolarHBondContact O-CA 3.29Å; I1884-F1897 PolarHBondContact N-O 2.89Å; I1884-F1897 PolarHBondContact O-N 3.25Å; I1884-I1899 HydrophobicContact CD1-CD1 3.83Å; I1884-I1899 HydrophobicContact CD1-CG1 3.66Å; I1884-I1899 HydrophobicContact CG1-CD1 4.22Å; I1884-I1899 HydrophobicContact CG1-CG1 4.16Å
1885I77.3Confident67.7Low0 Ų033.9 Ų33.90%016%0.159CC..EExtended strand (participates in β ladder)trans-117.1128.9166-49-163.8000107.8I934 I936 L943 I1875 Q1876 F1894 K1895 L1896I934-I1885 HydrophobicContact CD1-CG2 4.25Å; I934-I1885 HydrophobicContact CG2-CG2 4.28Å; I936-I1885 HydrophobicContact CD1-CD1 3.64Å; I936-I1885 HydrophobicContact CD1-CG1 3.97Å; I936-I1885 HydrophobicContact CG1-CD1 3.4Å; I936-I1885 HydrophobicContact CG1-CG1 4.26Å; L943-I1885 HydrophobicContact CD1-CD1 3.75Å; L943-I1885 HydrophobicContact CD1-CG2 4.47Å; L943-I1885 HydrophobicContact CD2-CD1 3.8Å; L943-I1885 HydrophobicContact CD2-CG2 4.36Å; L943-I1885 HydrophobicContact CG-CD1 4.28Å; I1875-I1885 CarbonylContact C-O 3.58Å; I1875-I1885 WeakPolarHBondContact CA-O 3.16Å; Q1876-I1885 PolarHBondContact N-O 2.83Å; Q1876-I1885 PolarHBondContact O-N 3.18Å; I1885-F1894 HydrophobicContact CG2-CD2 4.11Å; I1885-K1895 WeakPolarHBondContact CA-O 3.14Å; I1885-L1896 HydrophobicContact CD1-CD2 3.6Å; I1885-L1896 HydrophobicContact CD1-CG 3.94Å; I1885-L1896 HydrophobicContact CG1-CD2 3.9Å; I1885-L1896 HydrophobicContact CG1-CG 3.87Å; I1885-L1896 HydrophobicContact CG2-CG 4.39Å
1886V76.9Confident67.8Low0 Ų033 Ų330%015%0.154CC..EExtended strand (participates in β ladder)trans-115.9126176.4-174.80000109V1823 L1834 L1854 I1873 K1874 I1884 F1894 K1895 F1897V1823-V1886 HydrophobicContact CG2-CG1 3.81Å; V1823-V1886 HydrophobicContact CG2-CG2 4.44Å; L1834-V1886 HydrophobicContact CB-CG2 4.4Å; L1834-V1886 HydrophobicContact CD1-CG2 3.78Å; L1834-V1886 HydrophobicContact CD2-CG2 3.82Å; L1834-V1886 HydrophobicContact CG-CG2 4.21Å; L1854-V1886 HydrophobicContact CD1-CG1 3.68Å; L1854-V1886 HydrophobicContact CD2-CB 4.28Å; L1854-V1886 HydrophobicContact CD2-CG1 4.07Å; I1873-V1886 HydrophobicContact CG2-CG1 3.84Å; K1874-V1886 WeakPolarHBondContact O-CA 3.38Å; I1884-V1886 HydrophobicContact CG2-CG2 3.85Å; V1886-F1894 CarbonylContact O-C 3.34Å; V1886-F1894 WeakPolarHBondContact O-CA 3.41Å; V1886-F1894 VanDerWaalsContact O-CB 3.27Å; V1886-F1894 WeakPolarHBondContact O-CB 3.38Å; V1886-K1895 PolarHBondContact N-O 3.36Å; V1886-K1895 PolarHBondContact O-N 3.35Å; V1886-F1897 HydrophobicContact CG2-CD2 4.42Å; V1886-F1897 HydrophobicContact CG2-CE2 4.37Å
1887K70.8Confident68.5Low2 Ų231 Ų311%0.00915%0.145CC..EExtended strand (participates in β ladder)trans-99137.2174.9-164.4172.1161.1130.90111.5E932 I933 I934 L946 I1873 K1874 D1889 F1894E932-K1887 HydrophobicContact CB-CD 4.46Å; E932-K1887 VanDerWaalsContact CB-CE 3.43Å; E932-K1887 WeakPolarHBondContact OE2-CE 3.19Å; E932-K1887 IonicContact OE2-NZ 3.57Å; E932-K1887 PolarHBondContact OE2-NZ 3.12Å; I933-K1887 PolarHBondContact O-NZ 3.13Å; I934-K1887 HydrophobicContact CB-CD 4.08Å; I934-K1887 HydrophobicContact CD1-CB 3.92Å; I934-K1887 HydrophobicContact CD1-CD 3.78Å; I934-K1887 HydrophobicContact CD1-CG 3.83Å; I934-K1887 HydrophobicContact CG1-CD 3.88Å; I934-K1887 HydrophobicContact CG1-CG 4.48Å; L946-K1887 PolarHBondContact O-NZ 2.95Å; L946-K1887 VanDerWaalsContact O-NZ 3.15Å; I1873-K1887 VanDerWaalsContact CA-O 3.3Å; I1873-K1887 WeakPolarHBondContact CA-O 3.49Å; I1873-K1887 VanDerWaalsContact CG2-O 3.24Å; I1873-K1887 WeakPolarHBondContact CG2-O 3.5Å; K1874-K1887 HydrophobicContact CB-CB 4.23Å; K1874-K1887 PolarHBondContact N-O 3.09Å; K1874-K1887 PolarHBondContact O-N 3.25Å; K1887-D1889 WeakPolarHBondContact CD-OD1 3.42Å; K1887-D1889 WeakPolarHBondContact CE-OD1 3.46Å; K1887-D1889 WeakPolarHBondContact CG-OD1 3.31Å; K1887-F1894 HydrophobicContact CG-CB 4.49Å
1888L69.6Low69.1Low1 Ų129.9 Ų29.91%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-10593.6167.2-62.4179.8000108A1832 L1854 I1873 T1890 F1891 K1892 E1893A1832-L1888 HydrophobicContact CB-CD2 4.42Å; L1854-L1888 HydrophobicContact CB-CD1 4.22Å; L1854-L1888 HydrophobicContact CB-CD2 3.96Å; L1854-L1888 HydrophobicContact CD1-CD2 4.23Å; L1854-L1888 WeakPolarHBondContact O-CD1 3.4Å; I1873-L1888 HydrophobicContact CD1-CD2 3.37Å; I1873-L1888 HydrophobicContact CG1-CD2 3.76Å; L1888-T1890 VanDerWaalsContact C-N 3.3Å; L1888-T1890 PolarHBondContact O-N 2.95Å; L1888-F1891 HydrophobicContact CB-CB 4.08Å; L1888-F1891 HydrophobicContact CB-CD2 4.14Å; L1888-F1891 HydrophobicContact CD1-CB 4.44Å; L1888-F1891 HydrophobicContact CD1-CD2 4.02Å; L1888-F1891 HydrophobicContact CG-CD2 4.48Å; L1888-F1891 PolarHBondContact O-N 3.24Å; L1888-K1892 WeakPolarHBondContact O-CA 3.31Å; L1888-K1892 PolarHBondContact O-N 2.78Å; L1888-E1893 HydrophobicContact CB-CB 4.22Å; L1888-E1893 HydrophobicContact CD1-CB 4.21Å; L1888-E1893 PolarHBondContact N-O 3.42Å; L1888-E1893 PolarHBondContact O-N 3.33Å; L1888-E1893 VanDerWaalsContact O-N 3.14Å
1889D59.6Low69.9Low14 Ų1429.9 Ų29.98%0.07514%0.137CC..THydrogen-bonded Turntrans-67.1-34-176.6-62.9-2.5000110.8E932 S1872 K1874 K1887E932-D1889 HydrophobicContact CB-CB 4.29Å; S1872-D1889 VanDerWaalsContact O-CB 3.31Å; S1872-D1889 WeakPolarHBondContact O-CB 3.26Å; S1872-D1889 PolarHBondContact O-N 2.67Å; S1872-D1889 WeakPolarHBondContact OG-CB 3.49Å; K1874-D1889 WeakPolarHBondContact CE-OD2 3.31Å; K1887-D1889 WeakPolarHBondContact CD-OD1 3.42Å; K1887-D1889 WeakPolarHBondContact CE-OD1 3.46Å; K1887-D1889 WeakPolarHBondContact CG-OD1 3.31Å
1890T61.8Low70.8Confident72 Ų7220.9 Ų20.944%0.44210%0.102SC..THydrogen-bonded Turntrans-67.6-41.4176.236.10000114.2P1871 L1888P1871-T1890 HydrophobicContact CB-CG2 4.18Å; P1871-T1890 VanDerWaalsContact CB-OG1 3.27Å; P1871-T1890 WeakPolarHBondContact CB-OG1 3.29Å; L1888-T1890 VanDerWaalsContact C-N 3.3Å; L1888-T1890 PolarHBondContact O-N 2.95Å
1891F57.7Low71.2Confident70 Ų7020 Ų2031%0.3079%0.094SC..THydrogen-bonded Turntrans-90.8-7.8-179.5-60.7-69.5000113P1856 L1888P1856-F1891 HydrophobicContact CB-CB 4.1Å; P1856-F1891 HydrophobicContact CB-CD1 3.76Å; P1856-F1891 HydrophobicContact CB-CD2 4.44Å; P1856-F1891 HydrophobicContact CB-CE1 4.29Å; P1856-F1891 HydrophobicContact CB-CG 3.85Å; P1856-F1891 HydrophobicContact CG-CD1 3.81Å; P1856-F1891 HydrophobicContact CG-CE1 3.81Å; P1856-F1891 HydrophobicContact CG-CG 4.19Å; P1856-F1891 HydrophobicContact CG-CZ 4.19Å; L1888-F1891 HydrophobicContact CB-CB 4.08Å; L1888-F1891 HydrophobicContact CB-CD2 4.14Å; L1888-F1891 HydrophobicContact CD1-CB 4.44Å; L1888-F1891 HydrophobicContact CD1-CD2 4.02Å; L1888-F1891 HydrophobicContact CG-CD2 4.48Å; L1888-F1891 PolarHBondContact O-N 3.24Å
1892K61.4Low70.7Confident72 Ų7225.9 Ų25.931%0.31312%0.121SC..THydrogen-bonded Turntrans52.951.4-172.3-62.4174.6177.4171.40112.1T899 E932 W948 L1888T899-K1892 PolarHBondContact OG1-O 2.77Å; E932-K1892 WeakPolarHBondContact OE1-CE 3.22Å; W948-K1892 PolarHBondContact O-NZ 2.99Å; L1888-K1892 WeakPolarHBondContact O-CA 3.31Å; L1888-K1892 PolarHBondContact O-N 2.78Å
1893E62.9Low69.4Low14 Ų1426.5 Ų26.57%0.06513%0.128CC..EExtended strand (participates in β ladder)trans-128.5165.4176.4-80.6-174.3-148.500111.4P1856 I1857 L1888P1856-E1893 WeakPolarHBondContact CA-OE1 3.28Å; P1856-E1893 WeakPolarHBondContact CB-OE1 3.49Å; I1857-E1893 WeakPolarHBondContact CG1-OE1 3.4Å; I1857-E1893 PolarHBondContact N-OE1 3.38Å; L1888-E1893 HydrophobicContact CB-CB 4.22Å; L1888-E1893 HydrophobicContact CD1-CB 4.21Å; L1888-E1893 PolarHBondContact N-O 3.42Å; L1888-E1893 PolarHBondContact O-N 3.33Å; L1888-E1893 VanDerWaalsContact O-N 3.14Å
1894F68.7Low67.9Low2 Ų235.8 Ų35.81%0.00917%0.168CC..EExtended strand (participates in β ladder)trans-149.1158.6162.367.2-87.5000112.1C897 I934 L943 T945 W970 I1885 V1886 K1887 L1896C897-F1894 HydrophobicContact CB-CD2 4.22Å; C897-F1894 HydrophobicContact CB-CE1 3.86Å; C897-F1894 HydrophobicContact CB-CE2 3.37Å; C897-F1894 HydrophobicContact CB-CZ 3.17Å; I934-F1894 HydrophobicContact CD1-CB 3.45Å; I934-F1894 VanDerWaalsContact CD1-CB 3.45Å; I934-F1894 HydrophobicContact CD1-CD1 3.87Å; I934-F1894 HydrophobicContact CD1-CD2 4.25Å; I934-F1894 HydrophobicContact CD1-CG 3.57Å; L943-F1894 HydrophobicContact CD2-CD2 3.78Å; L943-F1894 HydrophobicContact CD2-CE2 3.23Å; L943-F1894 HydrophobicContact CD2-CZ 3.74Å; L943-F1894 HydrophobicContact CG-CE2 4.47Å; T945-F1894 HydrophobicContact CG2-CD1 3.82Å; T945-F1894 HydrophobicContact CG2-CE1 3.63Å; T945-F1894 HydrophobicContact CG2-CZ 4.44Å; W970-F1894 AromaticContact CD1-CZ 3.65Å; W970-F1894 HydrophobicContact CD2-CE1 4.24Å; W970-F1894 AromaticContact CD2-CZ 3.58Å; W970-F1894 HydrophobicContact CD2-CZ 3.58Å; W970-F1894 AromaticContact CE2-CE1 3.61Å; W970-F1894 AromaticContact CE2-CZ 3.45Å; W970-F1894 VanDerWaalsContact CE2-CZ 3.45Å; W970-F1894 HydrophobicContact CE3-CZ 4.2Å; W970-F1894 AromaticContact CG-CZ 3.79Å; W970-F1894 HydrophobicContact CG-CZ 3.79Å; W970-F1894 AromaticContact CZ2-CE1 3.97Å; W970-F1894 HydrophobicContact CZ2-CE1 3.97Å; W970-F1894 HydrophobicContact CZ2-CZ 4.04Å; W970-F1894 AromaticContact NE1-CE1 3.42Å; W970-F1894 AromaticContact NE1-CZ 3.44Å; I1885-F1894 HydrophobicContact CG2-CD2 4.11Å; V1886-F1894 CarbonylContact O-C 3.34Å; V1886-F1894 WeakPolarHBondContact O-CA 3.41Å; V1886-F1894 VanDerWaalsContact O-CB 3.27Å; V1886-F1894 WeakPolarHBondContact O-CB 3.38Å; K1887-F1894 HydrophobicContact CG-CB 4.49Å; F1894-L1896 HydrophobicContact CD2-CD1 3.83Å; F1894-L1896 HydrophobicContact CE2-CD1 3.61Å
1895K76Confident66.5Low31 Ų3139.9 Ų39.914%0.13518%0.184CC..EExtended strand (participates in β ladder)trans-135.6140.3-176.2-54.4-167.4-175.8-157.70110.9L1854 T1855 I1885 V1886 F1897L1854-K1895 HydrophobicContact CD2-CD 4.37Å; T1855-K1895 WeakPolarHBondContact O-CE 3.35Å; T1855-K1895 PolarHBondContact O-NZ 2.75Å; I1885-K1895 WeakPolarHBondContact CA-O 3.14Å; V1886-K1895 PolarHBondContact N-O 3.36Å; V1886-K1895 PolarHBondContact O-N 3.35Å; K1895-F1897 HydrophobicContact CB-CD2 4.46Å; K1895-F1897 HydrophobicContact CB-CE2 3.63Å; K1895-F1897 HydrophobicContact CB-CZ 3.94Å; K1895-F1897 HydrophobicContact CD-CZ 4.39Å
1896L77.9Confident65.2Low8 Ų844.1 Ų44.14%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-108.1129.9176.9-69.892.8000111.7P892 L893 L943 L975 L1883 I1884 I1885 F1894P892-L1896 WeakPolarHBondContact CA-O 3.16Å; L893-L1896 PolarHBondContact N-O 3.1Å; L943-L1896 HydrophobicContact CD2-CD1 4.15Å; L975-L1896 HydrophobicContact CD1-CB 4.33Å; L975-L1896 HydrophobicContact CD1-CD1 4.1Å; L975-L1896 HydrophobicContact CD1-CD2 4.14Å; L975-L1896 HydrophobicContact CD1-CG 4.42Å; L975-L1896 HydrophobicContact CD2-CD1 3.75Å; L975-L1896 HydrophobicContact CD2-CD2 3.85Å; L975-L1896 HydrophobicContact CD2-CG 4.42Å; L1883-L1896 HydrophobicContact CD1-CD2 4.3Å; I1884-L1896 WeakPolarHBondContact O-CA 3.29Å; I1885-L1896 HydrophobicContact CD1-CD2 3.6Å; I1885-L1896 HydrophobicContact CD1-CG 3.94Å; I1885-L1896 HydrophobicContact CG1-CD2 3.9Å; I1885-L1896 HydrophobicContact CG1-CG 3.87Å; I1885-L1896 HydrophobicContact CG2-CG 4.39Å; F1894-L1896 HydrophobicContact CD2-CD1 3.83Å; F1894-L1896 HydrophobicContact CE2-CD1 3.61Å
1897F83.7Confident64.1Low5 Ų549.2 Ų49.22%0.02225%0.247CC..EExtended strand (participates in β ladder)trans-128.1152.1177.6-55.9-87.6000111.4V855 L890 L891 P892 L1834 A1852 L1854 I1884 V1886 K1895V855-F1897 HydrophobicContact CG1-CE1 3.93Å; L890-F1897 HydrophobicContact CB-CD1 4.43Å; L890-F1897 HydrophobicContact CD2-CB 3.61Å; L890-F1897 HydrophobicContact CD2-CD1 4.26Å; L890-F1897 HydrophobicContact CD2-CG 3.98Å; L891-F1897 CarbonylContact O-C 3.55Å; L891-F1897 WeakPolarHBondContact O-CA 3.38Å; P892-F1897 HydrophobicContact CB-CD1 4.07Å; P892-F1897 HydrophobicContact CB-CE1 4.18Å; L1834-F1897 HydrophobicContact CD2-CB 4.45Å; L1834-F1897 HydrophobicContact CD2-CD2 3.39Å; L1834-F1897 HydrophobicContact CD2-CE2 3.64Å; L1834-F1897 HydrophobicContact CD2-CG 3.94Å; L1834-F1897 HydrophobicContact CD2-CZ 4.38Å; A1852-F1897 HydrophobicContact CB-CD1 4.35Å; A1852-F1897 HydrophobicContact CB-CE1 3.58Å; A1852-F1897 HydrophobicContact CB-CE2 4.48Å; A1852-F1897 HydrophobicContact CB-CZ 3.65Å; L1854-F1897 HydrophobicContact CD2-CE2 4.08Å; L1854-F1897 HydrophobicContact CD2-CZ 4.25Å; I1884-F1897 PolarHBondContact N-O 2.89Å; I1884-F1897 PolarHBondContact O-N 3.25Å; V1886-F1897 HydrophobicContact CG2-CD2 4.42Å; V1886-F1897 HydrophobicContact CG2-CE2 4.37Å; K1895-F1897 HydrophobicContact CB-CD2 4.46Å; K1895-F1897 HydrophobicContact CB-CE2 3.63Å; K1895-F1897 HydrophobicContact CB-CZ 3.94Å; K1895-F1897 HydrophobicContact CD-CZ 4.39Å
1898T82.4Confident63.6Low1 Ų152 Ų521%0.00626%0.262CS..EExtended strand (participates in β ladder)trans-111.8148.5166.753.50000111.2L891 L893 R1882 L1883L891-T1898 PolarHBondContact N-O 2.92Å; L891-T1898 PolarHBondContact O-N 2.89Å; L891-T1898 PolarHBondContact O-OG1 3.45Å; L893-T1898 HydrophobicContact CD1-CG2 4.17Å; L893-T1898 HydrophobicContact CD2-CG2 3.74Å; L893-T1898 HydrophobicContact CG-CG2 4Å; R1882-T1898 CarbonylContact O-C 3.51Å; R1882-T1898 VanDerWaalsContact O-CA 3.27Å; R1882-T1898 WeakPolarHBondContact O-CA 3.43Å; L1883-T1898 HydrophobicContact CD1-CG2 4Å
1899I79.6Confident63.2Low8 Ų856.7 Ų56.74%0.04129%0.286CS..EExtended strand (participates in β ladder)trans-97.1105.6175.6-42.5178000109.1C889 T1814 Y1819 V1821 I1836 R1882 I1884C889-I1899 HydrophobicContact CB-CG2 4.49Å; T1814-I1899 HydrophobicContact CG2-CD1 4.25Å; Y1819-I1899 HydrophobicContact CE1-CG2 4.45Å; V1821-I1899 HydrophobicContact CG2-CD1 4.49Å; I1836-I1899 HydrophobicContact CD1-CB 4.42Å; I1836-I1899 HydrophobicContact CD1-CD1 3.99Å; I1836-I1899 HydrophobicContact CD1-CG1 3.74Å; I1836-I1899 HydrophobicContact CD1-CG2 4.05Å; R1882-I1899 PolarHBondContact O-N 2.88Å; I1884-I1899 HydrophobicContact CD1-CD1 3.83Å; I1884-I1899 HydrophobicContact CD1-CG1 3.66Å; I1884-I1899 HydrophobicContact CG1-CD1 4.22Å; I1884-I1899 HydrophobicContact CG1-CG1 4.16Å
1900R71.6Confident63.7Low23 Ų2356.8 Ų56.89%0.08729%0.286CS..  trans-83.6145.2170.9-79.9-154.3158.6-153.8-13.9112.3D881 N885 C889 L891 Y1919D881-R1900 PolarHBondContact O-NH1 3.09Å; N885-R1900 HydrophobicContact CB-CB 4.22Å; C889-R1900 WeakPolarHBondContact CB-O 3.36Å; C889-R1900 PolarHBondContact O-N 3.04Å; L891-R1900 HydrophobicContact CD1-CG 4.08Å; R1900-Y1919 VanDerWaalsContact NH2-CD1 3.29Å; R1900-Y1919 PolarHBondContact NH2-O 3.3Å
1901K62.5Low63.8Low59 Ų5956.9 Ų56.926%0.25729%0.289SS..  trans-88.5159.3169.5-79.7-166.6170-166.20111.3N885 T1903 D1929N885-K1901 PolarHBondContact ND2-O 2.82Å; K1901-T1903 PolarHBondContact O-N 3.36Å; K1901-D1929 WeakPolarHBondContact CD-OD2 3.41Å; K1901-D1929 WeakPolarHBondContact CE-OD2 3.43Å; K1901-D1929 IonicContact NZ-OD2 2.65Å; K1901-D1929 PolarHBondContact NZ-OD2 2.86Å
1902Q51.8Low64.5Low123 Ų12355.8 Ų55.858%0.57529%0.287SS*.  trans-81.488.4167.4-72.3175.78.300110.1N885N885-Q1902 PolarHBondContact O-NE2 2.99Å
1903T47.9Very low64.8Low40 Ų4053.8 Ų53.825%0.24528%0.28CS..  trans-131.7140.4171440000108.5K1901 Y1905K1901-T1903 PolarHBondContact O-N 3.36Å; T1903-Y1905 VanDerWaalsContact C-N 3.31Å; T1903-Y1905 PolarHBondContact O-N 2.86Å; T1903-Y1905 WeakPolarHBondContact OG1-CE2 3.47Å; T1903-Y1905 PolarHBondContact OG1-OH 3.17Å
1904K44.9Very low65.1Low206 Ų20656.2 Ų56.290%0.89629%0.294SS*.  trans-67.287.5174.4-71.8-167.1176.3-1660109.4
1905Y51.4Low65.1Low87 Ų8758 Ų5834%0.34130%0.303SS..  trans-80.6143.8169.8-69.9-67.2000110T1903T1903-Y1905 VanDerWaalsContact C-N 3.31Å; T1903-Y1905 PolarHBondContact O-N 2.86Å; T1903-Y1905 WeakPolarHBondContact OG1-CE2 3.47Å; T1903-Y1905 PolarHBondContact OG1-OH 3.17Å
1906P50.4Low65Low89 Ų8956.5 Ų56.558%0.57830%0.297SS*.  trans-63.6152.6166.929.1-34.5000110.4I1908P1906-I1908 HydrophobicContact CG-CD1 4.17Å; P1906-I1908 HydrophobicContact CG-CG1 4.31Å; P1906-I1908 PolarHBondContact O-N 3.02Å
1907S54Low64.8Low106 Ų10656.1 Ų56.174%0.74130%0.295SS*.  trans-68.599.1174.939.50000110.6
1908I60.8Low64Low62 Ų6261.2 Ų61.232%0.31832%0.317SS..PPolyproline II helixtrans-96.2141.8-179.6-71.1166000109.8N878 P1906 Y1919N878-I1908 VanDerWaalsContact CG-O 3.3Å; N878-I1908 PolarHBondContact ND2-O 3.08Å; N878-I1908 PolarHBondContact OD1-O 2.99Å; P1906-I1908 HydrophobicContact CG-CD1 4.17Å; P1906-I1908 HydrophobicContact CG-CG1 4.31Å; P1906-I1908 PolarHBondContact O-N 3.02Å; I1908-Y1919 HydrophobicContact CB-CE2 4.26Å; I1908-Y1919 HydrophobicContact CD1-CE2 3.61Å; I1908-Y1919 HydrophobicContact CG2-CE2 4.3Å
1909I61.1Low63.3Low98 Ų9863 Ų6350%0.50332%0.324SS..PPolyproline II helixtrans-102.6132.3-177-75161.1000109.9R874 N878R874-I1909 HydrophobicContact CG-CG1 4.45Å; R874-I1909 HydrophobicContact CG-CG2 3.91Å; R874-I1909 VanDerWaalsContact NE-CG2 3.31Å; N878-I1909 WeakPolarHBondContact ND2-CG1 3.49Å
1910H69.3Low62.9Low16 Ų1662.9 Ų62.97%0.07432%0.323CS..PPolyproline II helixtrans-97137.7-176.6-57.6-33.3000113.5I865 R1916 Y1919I865-H1910 HydrophobicContact CG2-CB 3.6Å; H1910-R1916 HydrophobicContact CB-CB 3.99Å; H1910-Y1919 AromaticContact CE1-CD1 3.01Å; H1910-Y1919 WeakPolarHBondContact CE1-CD1 3.3Å; H1910-Y1919 AromaticContact CE1-CE1 3.42Å; H1910-Y1919 VanDerWaalsContact CE1-CE1 3.42Å; H1910-Y1919 WeakPolarHBondContact CE1-CE1 3.37Å; H1910-Y1919 AromaticContact CE1-CG 3.46Å; H1910-Y1919 VanDerWaalsContact CE1-CG 3.46Å; H1910-Y1919 AromaticContact NE2-CD1 3.23Å; H1910-Y1919 WeakPolarHBondContact NE2-CD1 3.31Å; H1910-Y1919 AromaticContact NE2-CE1 3.56Å
1911S64.9Low62.7Low75 Ų7562.4 Ų62.452%0.52432%0.323SS..SBendtrans-102.4-4-170.7400000115.3S866 D1915S866-S1911 WeakPolarHBondContact CB-O 3.34Å; S866-S1911 PolarHBondContact OG-O 3.47Å; S1911-D1915 PolarHBondContact OG-OD2 3.29Å
1912N70.6Confident62.3Low47 Ų4761.7 Ų61.725%0.25132%0.324SS..SBendtrans-179.4173161.850.877.4000109.1S866 N1914 D1915 R1916S866-N1912 WeakPolarHBondContact OG-CA 3.26Å; S866-N1912 WeakPolarHBondContact OG-CB 3.02Å; N1912-N1914 VanDerWaalsContact C-N 3.29Å; N1912-N1914 PolarHBondContact O-N 3.44Å; N1912-N1914 WeakPolarHBondContact OD1-CA 3.49Å; N1912-N1914 WeakPolarHBondContact OD1-CB 3.06Å; N1912-N1914 PolarHBondContact OD1-N 3Å; N1912-N1914 VanDerWaalsContact OD1-N 3.08Å; N1912-D1915 PolarHBondContact ND2-OD2 3.34Å; N1912-D1915 PolarHBondContact O-N 3.49Å; N1912-D1915 PolarHBondContact OD1-N 2.82Å; N1912-R1916 PolarHBondContact O-N 2.83Å
1913V69.5Low62.3Low29 Ų2960.1 Ų60.118%0.17632%0.318CS..Hα-helixtrans-49.3-47175.6-176.50000112.4H863 I865 L894 D1915 R1916 I1917H863-V1913 VanDerWaalsContact O-CG2 3.26Å; H863-V1913 WeakPolarHBondContact O-CG2 2.95Å; I865-V1913 HydrophobicContact CB-CG2 4.35Å; L894-V1913 HydrophobicContact CD1-CG1 4.39Å; L894-V1913 HydrophobicContact CD2-CG1 3.84Å; L894-V1913 HydrophobicContact CG-CG1 4.32Å; V1913-D1915 VanDerWaalsContact C-N 3.34Å; V1913-D1915 PolarHBondContact O-N 3.46Å; V1913-R1916 PolarHBondContact O-N 3.37Å; V1913-I1917 HydrophobicContact CG1-CD1 3.97Å; V1913-I1917 VanDerWaalsContact O-CG1 3.3Å; V1913-I1917 WeakPolarHBondContact O-CG1 3.15Å; V1913-I1917 PolarHBondContact O-N 3.45Å
1914N67.9Low61.8Low65 Ų6564.5 Ų64.535%0.34834%0.34SS..Hα-helixtrans-69.4-31.1-178.4-55.7-42.6000112N973 N1912 I1917 K1918N973-N1914 PolarHBondContact O-OD1 3.44Å; N1912-N1914 VanDerWaalsContact C-N 3.29Å; N1912-N1914 PolarHBondContact O-N 3.44Å; N1912-N1914 WeakPolarHBondContact OD1-CA 3.49Å; N1912-N1914 WeakPolarHBondContact OD1-CB 3.06Å; N1912-N1914 PolarHBondContact OD1-N 3Å; N1912-N1914 VanDerWaalsContact OD1-N 3.08Å; N1914-I1917 PolarHBondContact O-N 3.05Å; N1914-K1918 WeakPolarHBondContact O-CE 3.29Å; N1914-K1918 WeakPolarHBondContact O-CG 3.48Å; N1914-K1918 PolarHBondContact O-N 3.16Å
1915D69.2Low61.5Low40 Ų4061.2 Ų61.221%0.21433%0.33CS..Hα-helixtrans-73.2-35.4175.7-69-25.2000112.4S1911 N1912 V1913 K1918 Y1919S1911-D1915 PolarHBondContact OG-OD2 3.29Å; N1912-D1915 PolarHBondContact ND2-OD2 3.34Å; N1912-D1915 PolarHBondContact O-N 3.49Å; N1912-D1915 PolarHBondContact OD1-N 2.82Å; V1913-D1915 VanDerWaalsContact C-N 3.34Å; V1913-D1915 PolarHBondContact O-N 3.46Å; D1915-K1918 PolarHBondContact O-N 3.08Å; D1915-K1918 IonicContact OD1-NZ 2.69Å; D1915-K1918 PolarHBondContact OD1-NZ 3.22Å; D1915-Y1919 WeakPolarHBondContact O-CB 3.5Å; D1915-Y1919 PolarHBondContact O-N 2.89Å
1916R74.6Confident60.5Low0 Ų061.7 Ų61.70%034%0.342CS..Hα-helixtrans-67.4-40.8168.8-176.2-106.9-167-177.3-6.1111.8I865 D881 P892 L893 H1910 N1912 V1913 K1918 Y1919 L1920I865-R1916 HydrophobicContact CD1-CB 3.16Å; I865-R1916 HydrophobicContact CD1-CG 3.31Å; D881-R1916 IonicContact OD1-CZ 2.79Å; D881-R1916 IonicContact OD1-NE 3.45Å; D881-R1916 IonicContact OD1-NH2 3.92Å; D881-R1916 PolarHBondContact OD1-NH2 3.09Å; D881-R1916 WeakPolarHBondContact OD2-CG 3.39Å; D881-R1916 IonicContact OD2-CZ 2.68Å; D881-R1916 IonicContact OD2-NE 3.62Å; D881-R1916 PolarHBondContact OD2-NE 3.23Å; D881-R1916 IonicContact OD2-NH2 3.78Å; D881-R1916 PolarHBondContact OD2-NH2 3.4Å; P892-R1916 PolarHBondContact O-NH1 2.9Å; L893-R1916 PolarHBondContact O-NH1 3.33Å; H1910-R1916 HydrophobicContact CB-CB 3.99Å; N1912-R1916 PolarHBondContact O-N 2.83Å; V1913-R1916 PolarHBondContact O-N 3.37Å; R1916-K1918 VanDerWaalsContact C-N 3.33Å; R1916-K1918 PolarHBondContact O-N 3.14Å; R1916-Y1919 PolarHBondContact O-N 2.77Å; R1916-Y1919 VanDerWaalsContact O-N 3.12Å; R1916-L1920 HydrophobicContact CG-CG 4.38Å; R1916-L1920 PolarHBondContact O-N 2.82Å
1917I71.8Confident59.6Low0 Ų062.9 Ų62.90%035%0.348CS..Hα-helixtrans-57.6-46.5171.4-70166.7000109.9L893 L894 V1913 N1914 Y1919 L1920 L1921L893-I1917 HydrophobicContact CB-CG1 4.46Å; L893-I1917 HydrophobicContact CD2-CG2 4.48Å; L894-I1917 HydrophobicContact CD1-CD1 3.57Å; L894-I1917 HydrophobicContact CG-CD1 3.99Å; V1913-I1917 HydrophobicContact CG1-CD1 3.97Å; V1913-I1917 VanDerWaalsContact O-CG1 3.3Å; V1913-I1917 WeakPolarHBondContact O-CG1 3.15Å; V1913-I1917 PolarHBondContact O-N 3.45Å; N1914-I1917 PolarHBondContact O-N 3.05Å; I1917-Y1919 VanDerWaalsContact C-N 3.3Å; I1917-Y1919 PolarHBondContact O-N 2.95Å; I1917-L1920 PolarHBondContact O-N 3.42Å; I1917-L1921 HydrophobicContact CG2-CD1 3.62Å; I1917-L1921 HydrophobicContact CG2-CG 4.08Å; I1917-L1921 WeakPolarHBondContact O-CA 3.04Å; I1917-L1921 WeakPolarHBondContact O-CB 3.41Å; I1917-L1921 WeakPolarHBondContact O-CG 3.06Å; I1917-L1921 PolarHBondContact O-N 2.68Å
1918K67.3Low58.2Low112 Ų11261.4 Ų61.449%0.48734%0.342SS..Hα-helixtrans-60.1-33174.3-69.8164.1-149.7164.60114N1914 D1915 R1916N1914-K1918 WeakPolarHBondContact O-CE 3.29Å; N1914-K1918 WeakPolarHBondContact O-CG 3.48Å; N1914-K1918 PolarHBondContact O-N 3.16Å; D1915-K1918 PolarHBondContact O-N 3.08Å; D1915-K1918 IonicContact OD1-NZ 2.69Å; D1915-K1918 PolarHBondContact OD1-NZ 3.22Å; R1916-K1918 VanDerWaalsContact C-N 3.33Å; R1916-K1918 PolarHBondContact O-N 3.14Å
1919Y67.9Low56.6Low39 Ų3963.6 Ų63.615%0.15335%0.354CS..Hα-helixtrans-82.8-32.2-180175.7-107.8000113.8R1900 I1908 H1910 D1915 R1916 I1917R1900-Y1919 VanDerWaalsContact NH2-CD1 3.29Å; R1900-Y1919 PolarHBondContact NH2-O 3.3Å; I1908-Y1919 HydrophobicContact CB-CE2 4.26Å; I1908-Y1919 HydrophobicContact CD1-CE2 3.61Å; I1908-Y1919 HydrophobicContact CG2-CE2 4.3Å; H1910-Y1919 AromaticContact CE1-CD1 3.01Å; H1910-Y1919 WeakPolarHBondContact CE1-CD1 3.3Å; H1910-Y1919 AromaticContact CE1-CE1 3.42Å; H1910-Y1919 VanDerWaalsContact CE1-CE1 3.42Å; H1910-Y1919 WeakPolarHBondContact CE1-CE1 3.37Å; H1910-Y1919 AromaticContact CE1-CG 3.46Å; H1910-Y1919 VanDerWaalsContact CE1-CG 3.46Å; H1910-Y1919 AromaticContact NE2-CD1 3.23Å; H1910-Y1919 WeakPolarHBondContact NE2-CD1 3.31Å; H1910-Y1919 AromaticContact NE2-CE1 3.56Å; D1915-Y1919 WeakPolarHBondContact O-CB 3.5Å; D1915-Y1919 PolarHBondContact O-N 2.89Å; R1916-Y1919 PolarHBondContact O-N 2.77Å; R1916-Y1919 VanDerWaalsContact O-N 3.12Å; I1917-Y1919 VanDerWaalsContact C-N 3.3Å; I1917-Y1919 PolarHBondContact O-N 2.95Å
1920L70.5Confident55.1Low5 Ų566.8 Ų66.83%0.02637%0.367CS..Hα-helixtrans-77.2-32.1169.7-68.7-161.6000111.9D881 L891 L893 R1916 I1917 P1922D881-L1920 HydrophobicContact CB-CD2 4.11Å; L891-L1920 HydrophobicContact CB-CD1 4.06Å; L891-L1920 HydrophobicContact CD1-CD1 4.13Å; L891-L1920 HydrophobicContact CD1-CD2 3.75Å; L893-L1920 HydrophobicContact CD2-CB 3.64Å; L893-L1920 HydrophobicContact CD2-CD1 4.24Å; R1916-L1920 HydrophobicContact CG-CG 4.38Å; R1916-L1920 PolarHBondContact O-N 2.82Å; I1917-L1920 PolarHBondContact O-N 3.42Å; L1920-P1922 WeakPolarHBondContact O-CD 3.46Å
1921L67.8Low53.5Low13 Ų1372.2 Ų72.27%0.06839%0.393CS..SBendtrans-62.3122.4174.9-83172.7000109.5L893 L1883 I1917 I1923L893-L1921 HydrophobicContact CD1-CD2 3.98Å; L893-L1921 HydrophobicContact CD1-CG 4.37Å; L1883-L1921 HydrophobicContact CD1-CD2 4.21Å; L1883-L1921 HydrophobicContact CD2-CD2 4.49Å; I1917-L1921 HydrophobicContact CG2-CD1 3.62Å; I1917-L1921 HydrophobicContact CG2-CG 4.08Å; I1917-L1921 WeakPolarHBondContact O-CA 3.04Å; I1917-L1921 WeakPolarHBondContact O-CB 3.41Å; I1917-L1921 WeakPolarHBondContact O-CG 3.06Å; I1917-L1921 PolarHBondContact O-N 2.68Å; L1921-I1923 HydrophobicContact CB-CD1 3.85Å; L1921-I1923 HydrophobicContact CB-CG1 4.08Å; L1921-I1923 HydrophobicContact CD1-CD1 4.03Å; L1921-I1923 HydrophobicContact CG-CD1 4.36Å; L1921-I1923 PolarHBondContact O-N 2.82Å
1922P55.2Low52.6Low44 Ų4472.8 Ų72.829%0.28639%0.39SS..THydrogen-bonded Turntrans-82.349.2-170.832.5-34.2000111.4N1880 R1882 L1920N1880-P1922 PolarHBondContact ND2-O 3.19Å; R1882-P1922 HydrophobicContact CB-CB 3.73Å; R1882-P1922 HydrophobicContact CB-CG 3.28Å; R1882-P1922 HydrophobicContact CG-CB 4.29Å; R1882-P1922 HydrophobicContact CG-CG 4.3Å; L1920-P1922 WeakPolarHBondContact O-CD 3.46Å
1923I50.3Low51.2Low89 Ų8974.8 Ų74.846%0.45641%0.407SS..THydrogen-bonded Turntrans-96-32.1-171.8-63.9174.2000111.4L1921L1921-I1923 HydrophobicContact CB-CD1 3.85Å; L1921-I1923 HydrophobicContact CB-CG1 4.08Å; L1921-I1923 HydrophobicContact CD1-CD1 4.03Å; L1921-I1923 HydrophobicContact CG-CD1 4.36Å; L1921-I1923 PolarHBondContact O-N 2.82Å
1924N38.3Very low49.8Very low132 Ų13280.9 Ų80.971%0.70643%0.427SS*.SBendtrans-128.79.7-158.9-80.7-27.2000117.8
1925M38.7Very low48.7Very low137 Ų13779.4 Ų79.468%0.67542%0.422SS*.  trans-118.9126.6178.9-74.7-66.2169.100112.9T1927M1925-T1927 PolarHBondContact O-N 2.8Å
1926T31.2Very low47.7Very low97 Ų9781.9 Ų81.960%0.59544%0.435SS*.  trans-85.3103.9-16949.40000113.3A1928T1926-A1928 PolarHBondContact O-N 3.36Å
1927T30.3Very low46.5Very low115 Ų11586.5 Ų86.571%0.70646%0.455SS*.  trans13.488.4148.358.60000116.9R1375 M1925R1375-T1927 PolarHBondContact NH1-OG1 2.96Å; M1925-T1927 PolarHBondContact O-N 2.8Å
1928A24.4Very low45.5Very low74 Ų7488.7 Ų88.761%0.61247%0.466SS*.  trans-113.5125.9158.200000107.9T1926T1926-A1928 PolarHBondContact O-N 3.36Å
1929D27.8Very low45Very low108 Ų10890.4 Ų90.458%0.57847%0.473SS*.  trans-174.5154.1171.7-101.3-34.1000110.6K1901K1901-D1929 WeakPolarHBondContact CD-OD2 3.41Å; K1901-D1929 WeakPolarHBondContact CE-OD2 3.43Å; K1901-D1929 IonicContact NZ-OD2 2.65Å; K1901-D1929 PolarHBondContact NZ-OD2 2.86Å
1930E29Very low44.4Very low165 Ų16597.9 Ų97.977%0.77150%0.501SS*.  trans-140.2170.6-175.1-85.9-162.765.600111.3
1931Q36.4Very low43.9Very low131 Ų13197.8 Ų97.861%0.61250%0.501SS*.SBendcis-140.1179.310.2-160.5162.780.400111.7S1933Q1931-S1933 PolarHBondContact O-N 3.12Å
1932N45Very low44Very low87 Ų87103.5 Ų103.547%0.46553%0.526SS..SBendtrans630.7158.9-73.3-47.2000118.6S1935 N1936N1932-S1935 WeakPolarHBondContact CA-OG 3.18Å; N1932-S1935 PolarHBondContact O-OG 3.32Å; N1932-S1935 PolarHBondContact OD1-OG 3.31Å; N1932-N1936 PolarHBondContact O-N 3.27Å; N1932-N1936 PolarHBondContact O-ND2 3.41Å; N1932-N1936 VanDerWaalsContact O-ND2 3.13Å
1933S42.1Very low44.6Very low89 Ų89106.5 Ų106.562%0.62253%0.532SS*.Hα-helixtrans-63.6-44.6153.2590000110.6Q1931 N1936 K1937Q1931-S1933 PolarHBondContact O-N 3.12Å; S1933-N1936 PolarHBondContact O-N 3.39Å; S1933-K1937 WeakPolarHBondContact O-CB 2.82Å; S1933-K1937 WeakPolarHBondContact O-CG 3.41Å; S1933-K1937 PolarHBondContact O-N 3.49Å
1934W40.5Very low45.4Very low156 Ų156103.4 Ų103.459%0.59152%0.516SS*.Hα-helixtrans-64.6-43.8-179-172.973.7000113.3K1937 Q1938W1934-K1937 PolarHBondContact O-N 3.23Å; W1934-Q1938 HydrophobicContact CD2-CG 4.3Å; W1934-Q1938 VanDerWaalsContact CH2-NE2 3.28Å; W1934-Q1938 WeakPolarHBondContact O-CB 3.15Å; W1934-Q1938 WeakPolarHBondContact O-CG 3.24Å; W1934-Q1938 PolarHBondContact O-N 2.93Å
1935S45.3Very low47.1Very low34 Ų3497.1 Ų97.124%0.23848%0.483CS..Hα-helixtrans-67.8-36.8179.561.80000112.7N1932 Q1938 K1939N1932-S1935 WeakPolarHBondContact CA-OG 3.18Å; N1932-S1935 PolarHBondContact O-OG 3.32Å; N1932-S1935 PolarHBondContact OD1-OG 3.31Å; S1935-Q1938 PolarHBondContact O-N 3.24Å; S1935-K1939 WeakPolarHBondContact O-CG 3.36Å; S1935-K1939 PolarHBondContact O-N 3.4Å
1936N46.4Very low48.7Very low93 Ų9394.7 Ų94.750%0.49747%0.469SS..Hα-helixtrans-72.8-37.7173.2-77.4-43000112.5N1932 S1933 K1939 R1940N1932-N1936 PolarHBondContact O-N 3.27Å; N1932-N1936 PolarHBondContact O-ND2 3.41Å; N1932-N1936 VanDerWaalsContact O-ND2 3.13Å; S1933-N1936 PolarHBondContact O-N 3.39Å; N1936-K1939 PolarHBondContact O-N 3.03Å; N1936-R1940 PolarHBondContact O-N 3.2Å
1937K50.6Low50.5Low97 Ų9790.8 Ų90.842%0.42245%0.445SS..Hα-helixtrans-60-45.1168.5-81.5-167.5161.2-155.80111D1424 L1443 S1933 W1934 K1939 R1940 A1941D1424-K1937 IonicContact OD1-NZ 2.69Å; D1424-K1937 WeakPolarHBondContact OD2-CD 3.4Å; D1424-K1937 WeakPolarHBondContact OD2-CE 3.34Å; D1424-K1937 IonicContact OD2-NZ 3.04Å; D1424-K1937 PolarHBondContact OD2-NZ 2.98Å; L1443-K1937 HydrophobicContact CD1-CB 3.72Å; L1443-K1937 HydrophobicContact CD1-CD 4.25Å; S1933-K1937 WeakPolarHBondContact O-CB 2.82Å; S1933-K1937 WeakPolarHBondContact O-CG 3.41Å; S1933-K1937 PolarHBondContact O-N 3.49Å; W1934-K1937 PolarHBondContact O-N 3.23Å; K1937-K1939 PolarHBondContact O-N 3.4Å; K1937-R1940 PolarHBondContact O-N 2.95Å; K1937-A1941 WeakPolarHBondContact O-CB 3.31Å; K1937-A1941 PolarHBondContact O-N 2.96Å
1938Q50.8Low52.4Low46 Ų4685.8 Ų85.822%0.21541%0.413CS..Hα-helixtrans-61.5-36.7174.4-81.7-167.4-31.200113.4L1443 W1934 S1935 A1941 K1942L1443-Q1938 PolarHBondContact O-NE2 2.97Å; W1934-Q1938 HydrophobicContact CD2-CG 4.3Å; W1934-Q1938 VanDerWaalsContact CH2-NE2 3.28Å; W1934-Q1938 WeakPolarHBondContact O-CB 3.15Å; W1934-Q1938 WeakPolarHBondContact O-CG 3.24Å; W1934-Q1938 PolarHBondContact O-N 2.93Å; S1935-Q1938 PolarHBondContact O-N 3.24Å; Q1938-A1941 PolarHBondContact O-N 3.12Å; Q1938-K1942 WeakPolarHBondContact O-CB 3.49Å; Q1938-K1942 WeakPolarHBondContact O-CG 3.37Å; Q1938-K1942 PolarHBondContact O-N 3.14Å
1939K56.5Low54.6Low147 Ų14784.3 Ų84.364%0.63940%0.397SS*.Hα-helixtrans-64.5-45.4173.4-78.8178.7177.61790111.8S1935 N1936 K1937 K1942 Y1943S1935-K1939 WeakPolarHBondContact O-CG 3.36Å; S1935-K1939 PolarHBondContact O-N 3.4Å; N1936-K1939 PolarHBondContact O-N 3.03Å; K1937-K1939 PolarHBondContact O-N 3.4Å; K1939-K1942 PolarHBondContact O-N 3.42Å; K1939-Y1943 PolarHBondContact O-N 2.96Å
1940R56Low56.3Low196 Ų19684.9 Ų84.974%0.7439%0.391SS*.Hα-helixtrans-62.2-44.7174.1-71-177.2178-170.6-1.4111.6N1936 K1937 K1942 Y1943 L1944N1936-R1940 PolarHBondContact O-N 3.2Å; K1937-R1940 PolarHBondContact O-N 2.95Å; R1940-K1942 PolarHBondContact O-N 2.83Å; R1940-Y1943 PolarHBondContact O-N 3.46Å; R1940-L1944 WeakPolarHBondContact O-CB 3.3Å; R1940-L1944 PolarHBondContact O-N 3.46Å
1941A60.4Low58Low4 Ų477.5 Ų77.53%0.03336%0.356CS..Hα-helixtrans-59.3-44.8176.600000111.9N1441 L1443 T1444 K1937 Q1938 L1944 D1945N1441-A1941 PolarHBondContact ND2-O 2.74Å; L1443-A1941 HydrophobicContact CB-CB 4.27Å; L1443-A1941 HydrophobicContact CD1-CB 4.39Å; T1444-A1941 HydrophobicContact CG2-CB 3.79Å; K1937-A1941 WeakPolarHBondContact O-CB 3.31Å; K1937-A1941 PolarHBondContact O-N 2.96Å; Q1938-A1941 PolarHBondContact O-N 3.12Å; A1941-L1944 PolarHBondContact O-N 3.34Å; A1941-D1945 WeakPolarHBondContact O-CB 3.33Å; A1941-D1945 PolarHBondContact O-N 3.31Å
1942K68.2Low59.3Low133 Ų13372.3 Ų72.358%0.57834%0.336SS*.Hα-helixtrans-66.3-36.6174.6-77.3-177.2177.8-174.70113.7T1444 Q1938 K1939 R1940 D1945 E1946T1444-K1942 HydrophobicContact CG2-CG 3.89Å; Q1938-K1942 WeakPolarHBondContact O-CB 3.49Å; Q1938-K1942 WeakPolarHBondContact O-CG 3.37Å; Q1938-K1942 PolarHBondContact O-N 3.14Å; K1939-K1942 PolarHBondContact O-N 3.42Å; R1940-K1942 PolarHBondContact O-N 2.83Å; K1942-D1945 WeakPolarHBondContact O-CB 3.45Å; K1942-E1946 WeakPolarHBondContact O-CB 3.38Å; K1942-E1946 PolarHBondContact O-N 3Å
1943Y69.4Low60.1Low106 Ų10672.8 Ų72.842%0.41634%0.336SS..Hα-helixtrans-70.4-35.3175.5175.1-115000111.9K1939 R1940 E1946 L1947K1939-Y1943 PolarHBondContact O-N 2.96Å; R1940-Y1943 PolarHBondContact O-N 3.46Å; Y1943-E1946 WeakPolarHBondContact O-CB 3.32Å; Y1943-E1946 PolarHBondContact O-N 2.72Å; Y1943-L1947 HydrophobicContact CD1-CD1 4.23Å; Y1943-L1947 HydrophobicContact CE1-CD1 3.63Å; Y1943-L1947 HydrophobicContact CE1-CG 4.24Å; Y1943-L1947 HydrophobicContact CE2-CD1 4.35Å; Y1943-L1947 HydrophobicContact CE2-CD2 4.29Å; Y1943-L1947 HydrophobicContact CE2-CG 4.09Å; Y1943-L1947 PolarHBondContact O-N 3.32Å
1944L66.8Low60.8Low25 Ų2570.4 Ų70.413%0.13132%0.319CS..Hα-helixtrans-70.8-40174-165.7141.4000111.3L1423 I1425 Y1439 R1940 A1941 E1946 L1947 F1948L1423-L1944 HydrophobicContact CB-CD1 4.35Å; L1423-L1944 HydrophobicContact CD1-CD1 3.86Å; L1423-L1944 HydrophobicContact CD2-CD1 3.81Å; L1423-L1944 HydrophobicContact CG-CD1 4.21Å; I1425-L1944 HydrophobicContact CD1-CD2 4.25Å; I1425-L1944 HydrophobicContact CG2-CD2 4.05Å; Y1439-L1944 HydrophobicContact CE2-CD2 3.89Å; Y1439-L1944 PolarHBondContact OH-O 3.19Å; R1940-L1944 WeakPolarHBondContact O-CB 3.3Å; R1940-L1944 PolarHBondContact O-N 3.46Å; A1941-L1944 PolarHBondContact O-N 3.34Å; L1944-E1946 VanDerWaalsContact C-N 3.3Å; L1944-E1946 PolarHBondContact O-N 3.17Å; L1944-L1947 PolarHBondContact O-N 3.1Å; L1944-F1948 HydrophobicContact CD2-CD2 3.74Å; L1944-F1948 HydrophobicContact CD2-CE2 3.84Å; L1944-F1948 HydrophobicContact CG-CD2 4.05Å; L1944-F1948 HydrophobicContact CG-CE2 4.04Å; L1944-F1948 WeakPolarHBondContact O-CD2 3.28Å; L1944-F1948 PolarHBondContact O-N 3.43Å; L1944-F1948 VanDerWaalsContact O-N 3.11Å
1945D72.6Confident61.4Low0 Ų064.4 Ų64.40%030%0.298CS..Hα-helixtrans-52.9-49.8166.4-67.6-14.7000110.1Y1439 N1441 T1444 K1446 I1448 A1941 K1942 T1949Y1439-D1945 WeakPolarHBondContact OH-CA 3.11Å; N1441-D1945 PolarHBondContact ND2-OD1 2.88Å; T1444-D1945 WeakPolarHBondContact CB-OD2 3.3Å; T1444-D1945 WeakPolarHBondContact CG2-OD2 3.34Å; T1444-D1945 PolarHBondContact OG1-OD2 3.3Å; K1446-D1945 HydrophobicContact CD-CB 4.31Å; K1446-D1945 WeakPolarHBondContact CD-OD2 3.39Å; I1448-D1945 HydrophobicContact CD1-CB 3.73Å; I1448-D1945 WeakPolarHBondContact CD1-O 3.41Å; A1941-D1945 WeakPolarHBondContact O-CB 3.33Å; A1941-D1945 PolarHBondContact O-N 3.31Å; K1942-D1945 WeakPolarHBondContact O-CB 3.45Å; D1945-T1949 VanDerWaalsContact O-CB 3.3Å; D1945-T1949 WeakPolarHBondContact O-CB 3.36Å; D1945-T1949 PolarHBondContact O-N 2.8Å; D1945-T1949 PolarHBondContact O-OG1 3.16Å
1946E73.4Confident61.8Low85 Ų8566.1 Ų66.140%0.39731%0.31SS..Hα-helixtrans-62.5-43-179.3-169.6-17315500113.3K1942 Y1943 L1944 T1949 R1950K1942-E1946 WeakPolarHBondContact O-CB 3.38Å; K1942-E1946 PolarHBondContact O-N 3Å; Y1943-E1946 WeakPolarHBondContact O-CB 3.32Å; Y1943-E1946 PolarHBondContact O-N 2.72Å; L1944-E1946 VanDerWaalsContact C-N 3.3Å; L1944-E1946 PolarHBondContact O-N 3.17Å; E1946-T1949 PolarHBondContact O-N 2.71Å; E1946-R1950 WeakPolarHBondContact O-CG 3.43Å; E1946-R1950 PolarHBondContact O-N 3.05Å; E1946-R1950 IonicContact OE1-CZ 2.58Å; E1946-R1950 IonicContact OE1-NH1 3.25Å; E1946-R1950 PolarHBondContact OE1-NH1 3.4Å; E1946-R1950 IonicContact OE1-NH2 2.66Å; E1946-R1950 PolarHBondContact OE1-NH2 3.46Å
1947L69.5Low61.6Low16 Ų1666.9 Ų66.98%0.08432%0.318CS..Hα-helixtrans-64-47.6177.7-77.4178.2000112.5Y1943 L1944 T1949 R1950 F1951Y1943-L1947 HydrophobicContact CD1-CD1 4.23Å; Y1943-L1947 HydrophobicContact CE1-CD1 3.63Å; Y1943-L1947 HydrophobicContact CE1-CG 4.24Å; Y1943-L1947 HydrophobicContact CE2-CD1 4.35Å; Y1943-L1947 HydrophobicContact CE2-CD2 4.29Å; Y1943-L1947 HydrophobicContact CE2-CG 4.09Å; Y1943-L1947 PolarHBondContact O-N 3.32Å; L1944-L1947 PolarHBondContact O-N 3.1Å; L1947-T1949 VanDerWaalsContact C-N 3.34Å; L1947-R1950 PolarHBondContact O-N 2.92Å; L1947-F1951 PolarHBondContact O-N 2.87Å
1948F69.9Low60.9Low9 Ų966.5 Ų66.54%0.03932%0.321CS..Hα-helixtrans-71.9-29.7177.9-80.1-80000112.6F1437 Y1439 I1448 L1944 F1951 A1952F1437-F1948 AromaticContact CD1-CD1 3.88Å; F1437-F1948 HydrophobicContact CD1-CD1 3.88Å; F1437-F1948 AromaticContact CD1-CE1 3.58Å; F1437-F1948 HydrophobicContact CD1-CE1 3.58Å; F1437-F1948 HydrophobicContact CD1-CZ 4.36Å; F1437-F1948 AromaticContact CE1-CD1 3.92Å; F1437-F1948 HydrophobicContact CE1-CD1 3.92Å; F1437-F1948 AromaticContact CE1-CE1 3.41Å; F1437-F1948 HydrophobicContact CE1-CE1 3.41Å; F1437-F1948 VanDerWaalsContact CE1-CE1 3.41Å; F1437-F1948 HydrophobicContact CE1-CE2 4.46Å; F1437-F1948 AromaticContact CE1-CZ 3.72Å; F1437-F1948 HydrophobicContact CE1-CZ 3.72Å; F1437-F1948 HydrophobicContact CZ-CE1 4.25Å; F1437-F1948 HydrophobicContact CZ-CZ 4.26Å; Y1439-F1948 HydrophobicContact CE1-CB 3.65Å; Y1439-F1948 HydrophobicContact CE1-CD1 4.2Å; Y1439-F1948 AromaticContact CE1-CD2 3.77Å; Y1439-F1948 HydrophobicContact CE1-CD2 3.77Å; Y1439-F1948 HydrophobicContact CE1-CE2 4.49Å; Y1439-F1948 AromaticContact CE1-CG 3.61Å; Y1439-F1948 HydrophobicContact CE1-CG 3.61Å; Y1439-F1948 AromaticContact CZ-CD2 3.95Å; I1448-F1948 HydrophobicContact CG2-CB 4.06Å; L1944-F1948 HydrophobicContact CD2-CD2 3.74Å; L1944-F1948 HydrophobicContact CD2-CE2 3.84Å; L1944-F1948 HydrophobicContact CG-CD2 4.05Å; L1944-F1948 HydrophobicContact CG-CE2 4.04Å; L1944-F1948 WeakPolarHBondContact O-CD2 3.28Å; L1944-F1948 PolarHBondContact O-N 3.43Å; L1944-F1948 VanDerWaalsContact O-N 3.11Å; F1948-F1951 PolarHBondContact O-N 2.89Å; F1948-A1952 PolarHBondContact O-N 2.95Å
1949T70.7Confident60.1Low44 Ų4469.9 Ų69.927%0.2734%0.34SS..Hα-helixtrans-62.7-47.2169.9-51.60000109.8D1945 E1946 L1947 F1951 A1952 E1953D1945-T1949 VanDerWaalsContact O-CB 3.3Å; D1945-T1949 WeakPolarHBondContact O-CB 3.36Å; D1945-T1949 PolarHBondContact O-N 2.8Å; D1945-T1949 PolarHBondContact O-OG1 3.16Å; E1946-T1949 PolarHBondContact O-N 2.71Å; L1947-T1949 VanDerWaalsContact C-N 3.34Å; T1949-F1951 VanDerWaalsContact C-N 3.33Å; T1949-F1951 PolarHBondContact O-N 2.79Å; T1949-A1952 PolarHBondContact O-N 3.01Å; T1949-E1953 HydrophobicContact CG2-CG 4.4Å; T1949-E1953 WeakPolarHBondContact O-CB 3.37Å; T1949-E1953 VanDerWaalsContact O-CG 3.3Å; T1949-E1953 WeakPolarHBondContact O-CG 3.12Å; T1949-E1953 PolarHBondContact O-N 3.06Å
1950R63.6Low58.6Low119 Ų11970.5 Ų70.545%0.44935%0.35SS..Hα-helixtrans-60.7-37174.7-79.6-172.2179.2120.611.5113.9E1946 L1947 E1953 S1954E1946-R1950 WeakPolarHBondContact O-CG 3.43Å; E1946-R1950 PolarHBondContact O-N 3.05Å; E1946-R1950 IonicContact OE1-CZ 2.58Å; E1946-R1950 IonicContact OE1-NH1 3.25Å; E1946-R1950 PolarHBondContact OE1-NH1 3.4Å; E1946-R1950 IonicContact OE1-NH2 2.66Å; E1946-R1950 PolarHBondContact OE1-NH2 3.46Å; L1947-R1950 PolarHBondContact O-N 2.92Å; R1950-E1953 PolarHBondContact O-N 3.4Å; R1950-S1954 WeakPolarHBondContact O-CB 3.42Å; R1950-S1954 PolarHBondContact O-N 3.43Å; R1950-S1954 PolarHBondContact O-OG 3.15Å
1951F63.9Low57.3Low10 Ų1066.5 Ų66.54%0.04435%0.348CS..Hα-helixtrans-65-46.1175.6-177.6-126.5000111V1450 L1491 Y1558 L1560 L1947 F1948 T1949 S1954 L1955V1450-F1951 HydrophobicContact CG1-CD1 3.97Å; V1450-F1951 HydrophobicContact CG1-CE1 3.92Å; V1450-F1951 HydrophobicContact CG2-CD1 4.02Å; V1450-F1951 HydrophobicContact CG2-CE1 4.47Å; L1491-F1951 HydrophobicContact CD2-CE1 4.1Å; L1491-F1951 HydrophobicContact CD2-CZ 4.28Å; Y1558-F1951 HydrophobicContact CD1-CE2 4.32Å; L1560-F1951 HydrophobicContact CD2-CB 3.94Å; L1560-F1951 HydrophobicContact CD2-CD1 3.84Å; L1560-F1951 HydrophobicContact CD2-CD2 3.57Å; L1560-F1951 HydrophobicContact CD2-CE1 4.21Å; L1560-F1951 HydrophobicContact CD2-CE2 3.96Å; L1560-F1951 HydrophobicContact CD2-CG 3.51Å; L1560-F1951 HydrophobicContact CD2-CZ 4.26Å; L1947-F1951 PolarHBondContact O-N 2.87Å; F1948-F1951 PolarHBondContact O-N 2.89Å; T1949-F1951 VanDerWaalsContact C-N 3.33Å; T1949-F1951 PolarHBondContact O-N 2.79Å; F1951-S1954 PolarHBondContact O-N 3.13Å; F1951-S1954 PolarHBondContact O-OG 2.88Å; F1951-L1955 HydrophobicContact CD1-CD1 4.25Å; F1951-L1955 HydrophobicContact CD2-CD1 4.28Å; F1951-L1955 HydrophobicContact CE1-CD1 3.97Å; F1951-L1955 HydrophobicContact CE2-CD1 4Å; F1951-L1955 HydrophobicContact CG-CD1 4.4Å; F1951-L1955 HydrophobicContact CZ-CD1 3.83Å; F1951-L1955 WeakPolarHBondContact O-CG 3.35Å; F1951-L1955 PolarHBondContact O-N 2.58Å
1952A64.4Low55.5Low23 Ų2376.8 Ų76.819%0.1939%0.386CS..Hα-helixtrans-61.7-42.8172.400000112.4V1450 F1948 T1949 S1954 L1955 S1956V1450-A1952 HydrophobicContact CG2-CB 4.4Å; F1948-A1952 PolarHBondContact O-N 2.95Å; T1949-A1952 PolarHBondContact O-N 3.01Å; A1952-S1954 PolarHBondContact O-N 2.75Å; A1952-L1955 PolarHBondContact O-N 3.28Å; A1952-S1956 WeakPolarHBondContact O-CB 3.42Å; A1952-S1956 PolarHBondContact O-N 2.66Å; A1952-S1956 PolarHBondContact O-OG 3.41Å
1953E62.3Low53.3Low97 Ų9777.1 Ų77.145%0.45339%0.394SS..Hα-helixtrans-55.9-50.8173.5-74.4167.1176.900110.4T1949 R1950 L1955 S1956 V1957T1949-E1953 HydrophobicContact CG2-CG 4.4Å; T1949-E1953 WeakPolarHBondContact O-CB 3.37Å; T1949-E1953 VanDerWaalsContact O-CG 3.3Å; T1949-E1953 WeakPolarHBondContact O-CG 3.12Å; T1949-E1953 PolarHBondContact O-N 3.06Å; R1950-E1953 PolarHBondContact O-N 3.4Å; E1953-L1955 PolarHBondContact O-N 2.72Å; E1953-L1955 VanDerWaalsContact O-N 3.12Å; E1953-S1956 WeakPolarHBondContact CA-OG 3.28Å; E1953-S1956 PolarHBondContact O-N 2.75Å; E1953-S1956 PolarHBondContact O-OG 2.73Å; E1953-V1957 VanDerWaalsContact O-CG2 3.29Å; E1953-V1957 WeakPolarHBondContact O-CG2 3.48Å; E1953-V1957 PolarHBondContact O-N 3.09Å
1954S55.2Low51Low38 Ų3874.9 Ų74.927%0.26640%0.403SS..Hα-helixtrans-62.7-18.9179.873.60000115R1950 F1951 A1952R1950-S1954 WeakPolarHBondContact O-CB 3.42Å; R1950-S1954 PolarHBondContact O-N 3.43Å; R1950-S1954 PolarHBondContact O-OG 3.15Å; F1951-S1954 PolarHBondContact O-N 3.13Å; F1951-S1954 PolarHBondContact O-OG 2.88Å; A1952-S1954 PolarHBondContact O-N 2.75Å
1955L52.9Low48.8Very low31 Ų3179.3 Ų79.316%0.16243%0.431CS..Hα-helixtrans-92.3-21.8173.3-68.5165000112.5L1436 V1450 F1469 F1951 A1952 E1953L1436-L1955 HydrophobicContact CD1-CD1 4.18Å; V1450-L1955 HydrophobicContact CG1-CD1 3.34Å; F1469-L1955 HydrophobicContact CE2-CD2 3.98Å; F1469-L1955 HydrophobicContact CZ-CD2 3.59Å; F1951-L1955 HydrophobicContact CD1-CD1 4.25Å; F1951-L1955 HydrophobicContact CD2-CD1 4.28Å; F1951-L1955 HydrophobicContact CE1-CD1 3.97Å; F1951-L1955 HydrophobicContact CE2-CD1 4Å; F1951-L1955 HydrophobicContact CG-CD1 4.4Å; F1951-L1955 HydrophobicContact CZ-CD1 3.83Å; F1951-L1955 WeakPolarHBondContact O-CG 3.35Å; F1951-L1955 PolarHBondContact O-N 2.58Å; A1952-L1955 PolarHBondContact O-N 3.28Å; E1953-L1955 PolarHBondContact O-N 2.72Å; E1953-L1955 VanDerWaalsContact O-N 3.12Å
1956S54.3Low46.3Very low70 Ų7085 Ų8549%0.4946%0.462SS..Hα-helixtrans-95.3-22.9-179.872.20000114.6A1952 E1953 N1958A1952-S1956 WeakPolarHBondContact O-CB 3.42Å; A1952-S1956 PolarHBondContact O-N 2.66Å; A1952-S1956 PolarHBondContact O-OG 3.41Å; E1953-S1956 WeakPolarHBondContact CA-OG 3.28Å; E1953-S1956 PolarHBondContact O-N 2.75Å; E1953-S1956 PolarHBondContact O-OG 2.73Å; S1956-N1958 PolarHBondContact O-N 2.61Å
1957V41.8Very low43.9Very low108 Ų10886.8 Ų86.866%0.65547%0.473SS*.THydrogen-bonded Turntrans-77.985.5-177.11740000110.3E1953E1953-V1957 VanDerWaalsContact O-CG2 3.29Å; E1953-V1957 WeakPolarHBondContact O-CG2 3.48Å; E1953-V1957 PolarHBondContact O-N 3.09Å
1958N37Very low41.7Very low90 Ų9090.4 Ų90.448%0.48149%0.492SS..THydrogen-bonded Turntrans-157.47.3148.9-109.4-3.8000115.2S1956 N1960S1956-N1958 PolarHBondContact O-N 2.61Å; N1958-N1960 VanDerWaalsContact C-N 3.29Å; N1958-N1960 PolarHBondContact O-N 3.45Å
1959N32.6Very low39.6Very low116 Ų11696.9 Ų96.962%0.6253%0.527SS*.THydrogen-bonded Turntrans-82.724.5-178.5-82.63.3000115.4
1960N26.3Very low37.5Very low161 Ų161101.2 Ų101.286%0.86155%0.549SS*.THydrogen-bonded Turntrans-159.946.9-179.3-110.2-39.7000116.2N1958N1958-N1960 VanDerWaalsContact C-N 3.29Å; N1958-N1960 PolarHBondContact O-N 3.45Å
1961T27.7Very low35.9Very low111 Ų111101.6 Ų101.668%0.68156%0.56SS**  trans-140.4148.2162.333.20000111.7
1962R22.2Very low34.2Very low220 Ų220106.4 Ų106.483%0.8359%0.586SS**  trans-85154.2-168.1-104.3-179-179.7152.9-2.2114.7
1963D22.8Very low32.6Very low141 Ų141110.5 Ų110.575%0.75460%0.604SS**  trans59.9109.1146.5-47.6-22.6000120.5
1964G21Very low31.1Very low59 Ų59109.8 Ų109.861%0.60860%0.604SS**  trans136.4111.9136.900000121.1
1965T20.7Very low30Very low117 Ų117113.7 Ų113.772%0.71862%0.616SS**  trans75.996.6145.157.30000123.3N1464N1464-T1965 PolarHBondContact ND2-O 3.13Å
1966N21.2Very low29Very low120 Ų120118.2 Ų118.264%0.64264%0.639SS**  76.1129111.8-68.226.2000126.3
1967I21.7Very low27.9Very low123 Ų123121 Ų12163%0.63165%0.648SS**  trans81.7139.2146.2-60.2152.8000119.3
1968D23.6Very low27.5Very low92 Ų92122.6 Ų122.649%0.49265%0.654SS.*  cis-161.7-170.5-43.5-76.3-41.8000107.6
1969D25Very low27.3Very low144 Ų144125.9 Ų125.977%0.7767%0.671SS**  cis-163.5-152.632.8-145.9-47.5000113.8
1970N27.8Very low27.4Very low135 Ų135127.2 Ų127.272%0.72268%0.678SS**  trans-129.7-174.7-154.6-62.9-92.6000122.1
1971N28.9Very low27.7Very low128 Ų128125.8 Ų125.868%0.68467%0.67SS**  trans87.2156.4159.3-58109.4000122.7
1972D29.1Very low28.1Very low111 Ų111127.1 Ų127.159%0.59467%0.669SS**  cis-168.6168.3-16.9-84.2-13000113.9N1502N1502-D1972 PolarHBondContact ND2-O 3.24Å
1973D31.1Very low28.9Very low108 Ų108122.3 Ų122.358%0.57866%0.656SS**  trans-129-161.2-166.3-66.3-78.8000119.6N1502N1502-D1973 WeakPolarHBondContact CB-O 3.38Å; N1502-D1973 VanDerWaalsContact ND2-C 3.32Å; N1502-D1973 VanDerWaalsContact ND2-CA 3.34Å; N1502-D1973 WeakPolarHBondContact ND2-CA 3.22Å; N1502-D1973 PolarHBondContact ND2-N 3.1Å; N1502-D1973 PolarHBondContact ND2-O 3.48Å
1974D30.2Very low29.7Very low83 Ų83124.2 Ų124.244%0.44465%0.652SS.*  trans165.5-171.2-177.3-57.5-14.9000120.2I1501 D1503I1501-D1974 CarbonylContact O-C 3.58Å; I1501-D1974 VanDerWaalsContact O-C 3.28Å; I1501-D1974 WeakPolarHBondContact O-CA 3.46Å; D1503-D1974 HydrophobicContact CB-CB 4.12Å; D1503-D1974 WeakPolarHBondContact O-CB 3.35Å
1975F32.4Very low31Very low120 Ų120125.2 Ų125.253%0.52664%0.644SS.*  trans-119.1-115.7-160.4-30-104.1000127.1D1503D1503-F1975 HydrophobicContact CB-CB 4.42Å; D1503-F1975 HydrophobicContact CB-CD2 4.04Å; D1503-F1975 VanDerWaalsContact CG-C 3.47Å; D1503-F1975 VanDerWaalsContact CG-CA 3.44Å; D1503-F1975 VanDerWaalsContact OD2-C 3.31Å; D1503-F1975 VanDerWaalsContact OD2-CA 3.31Å; D1503-F1975 WeakPolarHBondContact OD2-CA 3.36Å; D1503-F1975 VanDerWaalsContact OD2-CB 3.23Å; D1503-F1975 WeakPolarHBondContact OD2-CB 3.45Å; D1503-F1975 PolarHBondContact OD2-N 3.15Å
1976I32.2Very low32.4Very low125 Ų125126.5 Ų126.564%0.64164%0.642SS**  -150.3146.2-119.7-90.9170.4000125.3D1503D1503-I1976 PolarHBondContact OD1-N 2.87Å; D1503-I1976 PolarHBondContact OD2-N 2.99Å
1977N31.1Very low33.6Very low128 Ų128127.6 Ų127.668%0.68465%0.645SS**  trans58.2170.4148.4-72.933.3000126.6
1978D32.3Very low34.8Very low143 Ų143128.3 Ų128.377%0.76565%0.649SS**  cis-155.3-145.3-1.2-114.6-25.5000116.6
1979D33.5Very low35.9Very low158 Ų158128.8 Ų128.885%0.84566%0.66SS**  trans-131179.7-160.3-93.3-25.1000115.7
1980D34.1Very low36.8Very low144 Ų144128 Ų12877%0.7766%0.656SS**  cis-174.6167-16.7-178.433.4000114
1981D33.5Very low37.8Very low131 Ų131129.4 Ų129.470%0.70166%0.658SS**  trans63.5175.7166.7-136.512.8000120.3
1982H35.2Very low38.6Very low140 Ų140130.7 Ų130.765%0.64866%0.66SS**  cis-160.3137.810.2-170.968.1000117.4
1983H38.5Very low39.2Very low119 Ų119131.9 Ų131.955%0.55167%0.666SS**  trans61.8177.9160.2-109.9-22.3000120N1985H1983-N1985 PolarHBondContact CE1-OD1 3.25Å
1984R41.2Very low39.6Very low180 Ų180133.6 Ų133.668%0.67967%0.673SS**  cis-132.5-119.33.8-126.2-134.8166.3-124.7-21.9118.6E1986R1984-E1986 IonicContact NH1-OE2 3.76Å
1985N46.7Very low39.7Very low81 Ų81136.4 Ų136.443%0.43369%0.688SS.*  trans-157-179.4-143.7-73.453.2000108.9H1983H1983-N1985 PolarHBondContact CE1-OD1 3.25Å
1986E50.5Low39.5Very low144 Ų144138.1 Ų138.167%0.67370%0.702SS**  cis-178.7170.8-13.4-94.4160.1162.200104.4R1984R1984-E1986 IonicContact NH1-OE2 3.76Å
1987M47.2Very low39Very low143 Ų143137.8 Ų137.870%0.70471%0.711SS**  cis179150.4-21.4-92.5172.469.400104.7
1988D47.4Very low38.9Very low137 Ų137141.1 Ų141.173%0.73372%0.719SS**  cis-158.4173.6-18.5-67.6-37.4000104.6
1989S45.7Very low39.1Very low103 Ų103144.9 Ų144.972%0.7273%0.729SS**  cis-147.6-157.41.557.40000106.4
1990N45.1Very low39.4Very low127 Ų127141 Ų14168%0.67973%0.727SS**  cis-159.4-169.1-8.8-118.58.6000103.8
1991E48.4Very low38.8Very low164 Ų164141.5 Ų141.577%0.76673%0.729SS**  cis-166.4158.6-7.5-116.8160.7-53.700103.7
1992E45.3Very low38.1Very low155 Ų155141.1 Ų141.172%0.72473%0.727SS**  cis-161.7-171.2-2.9-147.2-88.694.300106.8
1993L41.1Very low37.3Very low136 Ų136141 Ų14171%0.71273%0.731SS**  trans77.2-156.7165.2-57.7175.3000119.2
1994I40.8Very low36.3Very low144 Ų144141.8 Ų141.874%0.73874%0.738SS**  trans-152.7146.9-134.9-76.9167.8000106.9
1995D32Very low35.5Very low142 Ų142143.6 Ų143.676%0.75975%0.747SS**  -161.7-15664-148.5-29.3000114.6
1996L26.8Very low34.3Very low157 Ų157145.8 Ų145.882%0.82276%0.759SS**  trans-105.6130.5-162.2-71.4161.6000116.4
1997S22.3Very low32.9Very low118 Ų118146.7 Ų146.783%0.82577%0.768SS**  -174.5154.8120.848.30000112.8
1998K30Very low31.9Very low197 Ų197145.2 Ų145.286%0.85777%0.772SS**  trans-143.779.5174.5-81.4-171.9174.1-177.80111.2
1999F35.1Very low30.9Very low222 Ų222143.7 Ų143.797%0.97477%0.772SS**  trans-157.1140.7160.8-80.9-67.3000108.4
2000G41.1Very low30Very low78 Ų78145.8 Ų145.880%0.80477%0.774SS**  trans-116.1119-177.900000112.1
2001L20.4Very low29.3Very low154 Ų154146.1 Ų146.181%0.80678%0.775SS**  trans-160.2155.8169-103.7168.2000110
2002D19.7Very low28Very low122 Ų122145 Ų14565%0.65278%0.775SS**  trans54.9109.3151.6-65-18.2000123
2003L18.7Very low26.9Very low139 Ų139144.8 Ų144.873%0.72877%0.773SS**  58.1128.1114.6-63.8167.9000121
2004N17.5Very low26.1Very low134 Ų134143.9 Ų143.972%0.71777%0.768SS**  trans32.4108.8137.2-62.2-18.9000118.5
2005Y23.8Very low25.4Very low219 Ų219146.1 Ų146.186%0.85977%0.768SS**  -163.3117.7114.9-102.6-65.8000112.5
2006N20.9Very low25.2Very low127 Ų127145.1 Ų145.168%0.67976%0.763SS**  trans48102.9158-64.6-14.9000120.6
2007N22.7Very low25.2Very low162 Ų162143.6 Ų143.687%0.86675%0.75SS**  45.184.1119.2-60.3-10.9000118.4
2008S25.7Very low25.2Very low113 Ų113145.7 Ų145.779%0.7975%0.75SS**  trans-137.9131.714056.20000110.9
2009S26.9Very low26Very low105 Ų105141.8 Ų141.873%0.73474%0.739SS**  trans-8.2113.6175.251.70000119.6
2010L26.6Very low26Very low147 Ų147137.8 Ų137.877%0.7773%0.727SS**  trans64120.8139.1-78.970000117.5
2011L29.6Very low25.6Very low133 Ų133141 Ų14170%0.69672%0.724SS**  61.8104.469.9-67.3156.3000109.7
2012D20.7Very low25.8Very low142 Ų142138.5 Ų138.576%0.75972%0.72SS**SBendcis55.4118.938-155.710.2000111.6
2013H22.9Very low26.2Very low149 Ų149142.3 Ų142.369%0.6975%0.747SS**  trans70.4128.9-154.2-55.8-68.1000117.5
2014I24.3Very low26.6Very low118 Ų118142.5 Ų142.561%0.60575%0.748SS**  trans65113.5162.5-34122.8000113.2
2015Y26.3Very low27.1Very low190 Ų190142.9 Ų142.975%0.74575%0.75SS**  cis-127.7138.734.4-78-102.3000111K2017Y2015-K2017 HydrophobicContact CD1-CD 4.28Å
2016N26.8Very low27.3Very low121 Ų121138.7 Ų138.765%0.64774%0.744SS**  62.714550.9-67.3-30.9000112.2
2017K28Very low27.7Very low126 Ų126139.4 Ų139.455%0.54875%0.748SS.*  cis-170.1165.841.4-131.8146.3171.8-163.60111.6Y2015 D2019Y2015-K2017 HydrophobicContact CD1-CD 4.28Å; K2017-D2019 HydrophobicContact CB-CB 4.37Å; K2017-D2019 WeakPolarHBondContact CB-O 3.19Å; K2017-D2019 HydrophobicContact CD-CB 4.34Å; K2017-D2019 HydrophobicContact CG-CB 4.27Å
2018I21.2Very low28Very low161 Ų161137.9 Ų137.983%0.82674%0.74SS**SBendtrans-74.3113.1136.5-66.5168.1000104.9
2019D47.4Very low28.1Very low116 Ų116139.6 Ų139.662%0.6274%0.737SS**SBendtrans112.6104.3-169.2-63.6-25.6000112.7K2017K2017-D2019 HydrophobicContact CB-CB 4.37Å; K2017-D2019 WeakPolarHBondContact CB-O 3.19Å; K2017-D2019 HydrophobicContact CD-CB 4.34Å; K2017-D2019 HydrophobicContact CG-CB 4.27Å
2020N35.9Very low28.2Very low137 Ų137142.1 Ų142.173%0.73374%0.737SS**SBendtrans72.2130.5-177.3-55.1-14.9000114.7
2021I32.2Very low28.4Very low145 Ų145141.7 Ų141.774%0.74474%0.735SS**  cis-136.1134.7-6.9-53.3178.3000106.9V2023I2021-V2023 HydrophobicContact CG2-CB 4.46Å; I2021-V2023 HydrophobicContact CG2-CG2 4.19Å
2022S24.4Very low28.2Very low103 Ų103142.4 Ų142.472%0.7274%0.738SS**  cis92.625.57.6100.20000119.6
2023V28.7Very low28.9Very low201 Ų201142.5 Ų142.5100%1.21874%0.736SS**  trans-141.70157.2176.30000108.3I2021I2021-V2023 HydrophobicContact CG2-CB 4.46Å; I2021-V2023 HydrophobicContact CG2-CG2 4.19Å

Retrieved 2,023 of 2,023 residues in 605.6 ms (Link to these results)

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