A0A077ZBB9_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077ZBB9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,855 aa.

>A0A077ZBB9_TRITR|A0A077ZBB9
MPIAPGDQRLKELEKLFLSGPLFGETASVETLLDVLICLFDECCNSTLRKEKDIANFVEHVKPIVHKAKALRLQRDDFELLKVIGRGAFGEVRTNEKRTVFFLSAQVFKVAVVRLRNTGKIFAMKILNKWEMLKRADTACFKEERDVLVFGDRRWITNLHYAFQDEKNLYLIMDYYVGGDLLTLLIKFDDHLPEEMARFYIAEMVLAIDSVHRLGYVHRDVKPDNVLLDINGHVKLADFGSCLKLQPDGTAQSNVAVGTPDYISPEILRAMEDGKGRYGAECDWWSLGICMYEMLYGETPFYAESLAETYGKIMDHMEMLEFPEEPTVSEEAKHLLRSLICPAEQRFGKNDLKDFEMHPFFKGIDWENIKEAEAPYKPEISSPTDTSNFEVEDSDFMPCDTKPPNVSAPFTGHHLPFIGFTYTHNSKLSDSQSLAALIVRSESGAEDEINITDMVTVEAYERRIKRLENERTDLERKLREATRLVQSQFHGDEGNSATKAGPSEVTSPDTDIVAVAQMKDELQILRKRVAEYEAVVSSRKDSAAEEWEKKYRELQKKHRQLITDRSSLEDQISKLSEESNEKKYQLKEAIKYRDAARQDFAEASDKITELMNEKQKLLRASREREDECNVLQQKSDAMRVELLKMEKLKRSLEFKLEESQAECSRERRLREDVEANQVALQIELESVRKGKAISGNGPTSPENARKMVEHVEEELQMERDRHSRQVSVIETQLSDAKMEVESLRSQLQTLVCRTDEERAALIANHEEAIGDLHIAVERERELRLETQNQLEMENNGLKENIHAMEGQIAGLEKQLALMNEKYNFAMILDSQLPELMKWVNDEKEVRIYLHALTAKIAEEVESMKQQQQAASQSQSLSQSLTPTSGPYFEGANNSPYSYATLTGGEKGWGSRRSHKVAKMEILDLQRNLQSEIRAKQEITEELTKFRSAYFACKQQLEEAEKKVAEMVCELQRKAKRLDELEHLSSLRTPPDPGNFDQLIHLNNMFDLLKQYSDEVASACNEGGAAAKAKPVDFADVAASSGSPAKVHDYEPLNSSVTNDVEPAPLPGTMVQPLAESSPNYENSPYHLSMAQFQSMNQRTLANSSSAPFGGIFPPGNTNLRNAAVAHKLHRFNVAIFPQPTKCNHCTSLMIGLTRQGYVCQDCQYCCHVICLPKVQAACPAPPETIRPLGIDPSRGLGTAYEGMVKVPKPGGVRRGWTPQYLVICDLKLFLYDCSTDKNGKPVDVSPQVSLVIDMRDEDFSVTSVKESDVIHASRKEVLCIFRVTSSQIHQPVYLGEPCKMVTLLMADSQNEKQKWVISLNELVRFLRKRRLTQKKAFIVRELVDQSALPFVRTALCTAVVDKDRFLLGSEEGLFCVEVNRQAAIRIGDSRRVEAIEYVSDEQLIIIMSGTLKNHILPALFNQVVYHLGKEHQIRLIPTAVLDGRDVKWIKVDHTKQCHAFCVGSVLNGTAYYFCVAVKKTITVFEINRTPTRHRKLRDLAMPGFPQSLSMVRGKLCVGYPSGFRMWDFVDNSQHALLNLEDHSLQFMNHAAYDACILIEVSDKEYLLVFEKLGIYVDLNGRRSRPLELMFPSEPIHFSFSAPYLCVYSECHVTVYNVTTAEWVQTLNLRKAKPLLRSGALTLCCVADKMCIVLLSDMLAVDDVMNTPFMVSTRNMNQDSSKRRKYSILVLSEEEKLRKSIGRKSLMISGPSNFSHITHMGPGEGIEFQQLIDLNQSHPKVVDPRCSAEEAATSTVKEQSSTSVHSAASSFNTSKRPSSVNSKSSDGSSLSREESLSRTGNTEILLRTESPPFSLSSGEPSVVTGAAKATQSGDSLPSHAFQVSSSPKRGTQASGT
Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M42.2Very low72.1Confident228 Ų228100.2 Ų100.2100%1.12352%0.521SS*.  0160.20-65.5-176.1-174.200108.3
2P59.6Low73Confident118 Ų118100.3 Ų100.377%0.76652%0.517SS*.PPolyproline II helixtrans-55.7143.7160.627.4-35.1000109.3A4P2-A4 PolarHBondContact O-N 3.27Å
3I56.5Low73.7Confident117 Ų11799.2 Ų99.260%0.651%0.512SS*.PPolyproline II helixtrans-74.5121.7-178.8-58.9173.7000107.9
4A72.2Confident74.4Confident30 Ų30100 Ų10025%0.24851%0.513CS..PPolyproline II helixtrans-65152.8-179.700000111.7P2 R9P2-A4 PolarHBondContact O-N 3.27Å; A4-R9 HydrophobicContact CB-CG 3.85Å; A4-R9 WeakPolarHBondContact O-CD 3.23Å; A4-R9 PolarHBondContact O-NE 2.7Å
5P75.8Confident74.7Confident61 Ų61103.9 Ų103.940%0.39652%0.524SS..PPolyproline II helixtrans-53.2155.6177.7-26.435.5000112.7D7 Q8 R9P5-D7 VanDerWaalsContact C-N 3.32Å; P5-D7 PolarHBondContact O-N 3.25Å; P5-Q8 PolarHBondContact O-N 2.9Å; P5-R9 PolarHBondContact O-N 3.47Å; P5-R9 VanDerWaalsContact O-N 3.14Å
6G78.9Confident75.1Confident20 Ų20101.7 Ų101.721%0.20651%0.514CS..Hα-helixtrans-54.1-48-177.800000112.5Q8 R9 L10 C1745G6-Q8 PolarHBondContact O-N 3.28Å; G6-R9 PolarHBondContact O-N 3.19Å; G6-L10 WeakPolarHBondContact O-CG 3.1Å; G6-L10 PolarHBondContact O-N 3.45Å; G6-C1745 VanDerWaalsContact CA-O 3.26Å; G6-C1745 WeakPolarHBondContact CA-O 3.33Å; G6-C1745 PolarHBondContact N-O 2.82Å
7D77.9Confident75.2Confident43 Ų43100.5 Ų100.523%0.2351%0.505CS..Hα-helixtrans-74.1-29.8-172.3-28.5-68.3000112.5P5 L10 K11 C1745 S1746 A1747P5-D7 VanDerWaalsContact C-N 3.32Å; P5-D7 PolarHBondContact O-N 3.25Å; D7-L10 PolarHBondContact O-N 3.12Å; D7-K11 WeakPolarHBondContact O-CG 3.48Å; D7-K11 PolarHBondContact O-N 2.91Å; D7-K11 VanDerWaalsContact O-N 3.07Å; D7-C1745 VanDerWaalsContact OD2-C 3.22Å; D7-C1745 VanDerWaalsContact OD2-O 3.04Å; D7-S1746 WeakPolarHBondContact OD1-CA 3.35Å; D7-S1746 PolarHBondContact OD1-N 3.06Å; D7-S1746 PolarHBondContact OD2-N 3.26Å; D7-A1747 VanDerWaalsContact CG-O 3.26Å; D7-A1747 PolarHBondContact OD1-N 3.4Å; D7-A1747 PolarHBondContact OD2-N 3.44Å
8Q81.4Confident75.4Confident100 Ų10096.8 Ų96.847%0.46749%0.487SS..Hα-helixtrans-67.2-46.5171.2179.4174.8-14.900110.7P5 G6 L10 K11 E12P5-Q8 PolarHBondContact O-N 2.9Å; G6-Q8 PolarHBondContact O-N 3.28Å; Q8-L10 VanDerWaalsContact C-N 3.26Å; Q8-L10 PolarHBondContact O-N 3.12Å; Q8-K11 PolarHBondContact O-N 2.79Å; Q8-K11 VanDerWaalsContact O-N 3.16Å; Q8-E12 HydrophobicContact CG-CG 4.48Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.43Å; Q8-E12 PolarHBondContact NE2-OE1 2.97Å; Q8-E12 WeakPolarHBondContact O-CG 3.44Å; Q8-E12 PolarHBondContact O-N 2.97Å
9R84.1Confident75.3Confident128 Ų12893.2 Ų93.248%0.48347%0.471SS..Hα-helixtrans-63.2-32.8176.7-69.4-174-70.7149.31112.3A4 P5 G6 L13A4-R9 HydrophobicContact CB-CG 3.85Å; A4-R9 WeakPolarHBondContact O-CD 3.23Å; A4-R9 PolarHBondContact O-NE 2.7Å; P5-R9 PolarHBondContact O-N 3.47Å; P5-R9 VanDerWaalsContact O-N 3.14Å; G6-R9 PolarHBondContact O-N 3.19Å; R9-L13 VanDerWaalsContact O-CB 3.28Å; R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 PolarHBondContact O-N 2.92Å
10L83.1Confident75Confident110 Ų11088.8 Ų88.858%0.57645%0.45SS*.Hα-helixtrans-66.6-42.1172.9-73.9170.3000112.3G6 D7 Q8 L13 E14G6-L10 WeakPolarHBondContact O-CG 3.1Å; G6-L10 PolarHBondContact O-N 3.45Å; D7-L10 PolarHBondContact O-N 3.12Å; Q8-L10 VanDerWaalsContact C-N 3.26Å; Q8-L10 PolarHBondContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.05Å; L10-E14 WeakPolarHBondContact O-CB 3.25Å; L10-E14 PolarHBondContact O-N 3.48Å
11K81.2Confident75Confident147 Ų14785.8 Ų85.864%0.63944%0.437SS*.Hα-helixtrans-69.1-34.1175.4-73.5177.1179.4176.80113.2D7 Q8 K15D7-K11 WeakPolarHBondContact O-CG 3.48Å; D7-K11 PolarHBondContact O-N 2.91Å; D7-K11 VanDerWaalsContact O-N 3.07Å; Q8-K11 PolarHBondContact O-N 2.79Å; Q8-K11 VanDerWaalsContact O-N 3.16Å; K11-K15 VanDerWaalsContact O-CB 3.3Å; K11-K15 WeakPolarHBondContact O-CB 3.22Å; K11-K15 PolarHBondContact O-N 2.67Å
12E82.7Confident76.1Confident101 Ų10178.8 Ų78.847%0.47240%0.403SS..Hα-helixtrans-65.7-41.7172-72.7166.3-178.900111.1Q8 L16Q8-E12 HydrophobicContact CG-CG 4.48Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.43Å; Q8-E12 PolarHBondContact NE2-OE1 2.97Å; Q8-E12 WeakPolarHBondContact O-CG 3.44Å; Q8-E12 PolarHBondContact O-N 2.97Å; E12-L16 WeakPolarHBondContact O-CB 3.28Å; E12-L16 PolarHBondContact O-N 3.08Å
13L82.9Confident76.1Confident86 Ų8680.5 Ų80.545%0.4540%0.399SS..Hα-helixtrans-68-40.8175-175.265.7000113.1R9 L10 L16 F17R9-L13 VanDerWaalsContact O-CB 3.28Å; R9-L13 WeakPolarHBondContact O-CB 3.49Å; R9-L13 PolarHBondContact O-N 2.92Å; L10-L13 PolarHBondContact O-N 3.05Å; L13-L16 HydrophobicContact CD1-CD2 4.44Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 PolarHBondContact O-N 2.76Å; L13-F17 HydrophobicContact CD1-CD2 4.18Å; L13-F17 HydrophobicContact CD1-CE2 3.85Å; L13-F17 HydrophobicContact CG-CD2 4.34Å; L13-F17 HydrophobicContact CG-CE2 4.32Å; L13-F17 WeakPolarHBondContact O-CD2 3.45Å; L13-F17 PolarHBondContact O-N 2.84Å
14E82.7Confident76.2Confident111 Ų11176.5 Ų76.552%0.51939%0.387SS..Hα-helixtrans-60-53.2173.4176.7179.4-147.200110.2L10 L16 F17 L18L10-E14 WeakPolarHBondContact O-CB 3.25Å; L10-E14 PolarHBondContact O-N 3.48Å; E14-L16 PolarHBondContact O-N 3.36Å; E14-F17 PolarHBondContact O-N 3.18Å; E14-F17 VanDerWaalsContact O-N 3.15Å; E14-L18 HydrophobicContact CG-CD1 3.84Å; E14-L18 HydrophobicContact CG-CG 4.19Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 2.91Å
15K79.8Confident76Confident158 Ų15884.7 Ų84.769%0.68742%0.42SS*.Hα-helixtrans-54.9-40.4178.3-174.8-176.9176.3-171.70112K11 L18 S19K11-K15 VanDerWaalsContact O-CB 3.3Å; K11-K15 WeakPolarHBondContact O-CB 3.22Å; K11-K15 PolarHBondContact O-N 2.67Å; K15-L18 PolarHBondContact O-N 3.44Å; K15-S19 PolarHBondContact O-N 3.41Å; K15-S19 PolarHBondContact O-OG 2.8Å
16L80.3Confident75.9Confident69 Ų6982.9 Ų82.936%0.36141%0.408SS..Hα-helixtrans-59.2-51.7177.3-171.670.8000111.7E12 L13 E14 L18 S19 G20 T26E12-L16 WeakPolarHBondContact O-CB 3.28Å; E12-L16 PolarHBondContact O-N 3.08Å; L13-L16 HydrophobicContact CD1-CD2 4.44Å; L13-L16 WeakPolarHBondContact O-CB 3.5Å; L13-L16 PolarHBondContact O-N 2.76Å; E14-L16 PolarHBondContact O-N 3.36Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.06Å; L16-S19 PolarHBondContact O-N 3.44Å; L16-S19 PolarHBondContact O-OG 3.2Å; L16-G20 PolarHBondContact O-N 3.38Å; L16-T26 HydrophobicContact CD1-CG2 3.61Å; L16-T26 HydrophobicContact CG-CG2 3.7Å
17F77.9Confident76Confident82 Ų8283.3 Ų83.336%0.3641%0.409SS..Hα-helixtrans-68.5-28.7176-80.7-72.2000113.2L13 E14 L32L13-F17 HydrophobicContact CD1-CD2 4.18Å; L13-F17 HydrophobicContact CD1-CE2 3.85Å; L13-F17 HydrophobicContact CG-CD2 4.34Å; L13-F17 HydrophobicContact CG-CE2 4.32Å; L13-F17 WeakPolarHBondContact O-CD2 3.45Å; L13-F17 PolarHBondContact O-N 2.84Å; E14-F17 PolarHBondContact O-N 3.18Å; E14-F17 VanDerWaalsContact O-N 3.15Å; F17-L32 HydrophobicContact CD1-CD1 4.36Å; F17-L32 HydrophobicContact CE1-CD1 4.06Å
18L77.5Confident76.5Confident34 Ų3481.5 Ų81.518%0.17840%0.4CS..Hα-helixtrans-74.7-32.6177-66.2-175.1000113.5E14 K15 L16 S433 L434 A435 I438E14-L18 HydrophobicContact CG-CD1 3.84Å; E14-L18 HydrophobicContact CG-CG 4.19Å; E14-L18 WeakPolarHBondContact O-CG 3.49Å; E14-L18 PolarHBondContact O-N 2.91Å; K15-L18 PolarHBondContact O-N 3.44Å; L16-L18 VanDerWaalsContact C-N 3.31Å; L16-L18 PolarHBondContact O-N 3.06Å; L18-S433 PolarHBondContact O-OG 3.01Å; L18-L434 HydrophobicContact CD2-CB 3.68Å; L18-L434 HydrophobicContact CD2-CD1 4.19Å; L18-L434 PolarHBondContact O-N 3.29Å; L18-A435 HydrophobicContact CB-CB 4.5Å; L18-A435 PolarHBondContact O-N 3.42Å; L18-I438 HydrophobicContact CD1-CD1 4.05Å; L18-I438 HydrophobicContact CD2-CD1 3.46Å; L18-I438 VanDerWaalsContact CD2-CD1 3.46Å; L18-I438 HydrophobicContact CD2-CG1 4.31Å; L18-I438 HydrophobicContact CG-CD1 4.42Å
19S73.6Confident76.8Confident27 Ų2778.8 Ų78.819%0.18939%0.39CS..Hα-helixtrans-70.7-33.3172.852.10000112.8K15 L16 S433K15-S19 PolarHBondContact O-N 3.41Å; K15-S19 PolarHBondContact O-OG 2.8Å; L16-S19 PolarHBondContact O-N 3.44Å; L16-S19 PolarHBondContact O-OG 3.2Å; S19-S433 WeakPolarHBondContact O-CB 3.35Å
20G70.4Confident77Confident5 Ų573.1 Ų73.15%0.05237%0.369CS..  trans75.2-178.8-177.900000113.8L16 L22 F23 T26L16-G20 PolarHBondContact O-N 3.38Å; G20-L22 PolarHBondContact O-N 2.69Å; G20-L22 VanDerWaalsContact O-N 3.16Å; G20-F23 PolarHBondContact O-N 2.76Å; G20-T26 WeakPolarHBondContact CA-OG1 3.03Å
21P74.7Confident77.4Confident26 Ų2668.8 Ų68.817%0.16935%0.347CS..G310 helixtrans-61.3-28.3-170.3-23.433.6000114.3F23 G24 T26 D430P21-F23 PolarHBondContact O-N 2.71Å; P21-G24 PolarHBondContact O-N 2.88Å; P21-G24 VanDerWaalsContact O-O 3.05Å; P21-T26 WeakPolarHBondContact CG-O 3.32Å; P21-D430 HydrophobicContact CB-CB 4.35Å; P21-D430 HydrophobicContact CG-CB 4.02Å
22L65.4Low77.9Confident81 Ų8165.3 Ų65.342%0.42434%0.335SS..G310 helixtrans-52.7-21.9177.2-95.5166000115.2G20 F150 S431G20-L22 PolarHBondContact O-N 2.69Å; G20-L22 VanDerWaalsContact O-N 3.16Å; L22-F150 HydrophobicContact CD2-CD1 4.31Å; L22-F150 HydrophobicContact CG-CE1 4.4Å; L22-S431 VanDerWaalsContact CD1-C 3.42Å; L22-S431 WeakPolarHBondContact CD1-O 3.35Å
23F59.6Low78.3Confident154 Ų15462.5 Ų62.568%0.67532%0.324SS*.G310 helixtrans-128.913-174.5-57.3-76.2000114.2G20 P21G20-F23 PolarHBondContact O-N 2.76Å; P21-F23 PolarHBondContact O-N 2.71Å
24G58.3Low78.8Confident33 Ų3358.6 Ų58.634%0.3430%0.303SS..SBendtrans172178.7176.500000114.4P21 T26P21-G24 PolarHBondContact O-N 2.88Å; P21-G24 VanDerWaalsContact O-O 3.05Å; G24-T26 WeakPolarHBondContact O-CG2 3.38Å; G24-T26 PolarHBondContact O-N 3.32Å
25E67.1Low79.3Confident203 Ų20356.2 Ų56.295%0.94930%0.296SS*.SBendtrans-74.767.1178.2-61.1-178160.300111.3
26T73.7Confident79.8Confident22 Ų2250.7 Ų50.714%0.13527%0.274CS..  trans-122.6153-174.2111.80000110.7L16 G20 P21 G24L16-T26 HydrophobicContact CD1-CG2 3.61Å; L16-T26 HydrophobicContact CG-CG2 3.7Å; G20-T26 WeakPolarHBondContact CA-OG1 3.03Å; P21-T26 WeakPolarHBondContact CG-O 3.32Å; G24-T26 WeakPolarHBondContact O-CG2 3.38Å; G24-T26 PolarHBondContact O-N 3.32Å
27A82.4Confident80.4Confident29 Ų2948.2 Ų48.224%0.2426%0.261CS..  trans-88.5139.2168.400000110.3T31 L32A27-T31 HydrophobicContact CB-CG2 3.78Å; A27-L32 HydrophobicContact CB-CD2 4.1Å; A27-L32 HydrophobicContact CB-CG 4.13Å
28S87.7Confident81Confident6 Ų644.7 Ų44.74%0.04225%0.246CC..  trans-73.1168.9167.8670000111.5E30 T31 L32 L428 D430S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 2.87Å; S28-T31 WeakPolarHBondContact O-CB 3.32Å; S28-T31 PolarHBondContact O-N 3.39Å; S28-T31 WeakPolarHBondContact OG-CB 3.35Å; S28-T31 PolarHBondContact OG-N 2.8Å; S28-T31 PolarHBondContact OG-OG1 2.78Å; S28-L32 WeakPolarHBondContact O-CG 3.32Å; S28-L32 PolarHBondContact O-N 2.91Å; S28-L428 WeakPolarHBondContact CB-O 3.44Å; S28-D430 WeakPolarHBondContact CB-OD1 3.41Å; S28-D430 PolarHBondContact OG-OD1 3.48Å
29V87.4Confident81.7Confident42 Ų4246 Ų4626%0.25525%0.253SS..Hα-helixtrans-69.8-29.1173.41720000111.2L32 L33 L428 L434V29-L32 PolarHBondContact O-N 3.32Å; V29-L33 HydrophobicContact CG1-CD1 4.2Å; V29-L33 HydrophobicContact CG1-CG 4.41Å; V29-L33 WeakPolarHBondContact O-CB 3.48Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.35Å; V29-L33 PolarHBondContact O-N 2.95Å; V29-L428 HydrophobicContact CB-CB 3.92Å; V29-L428 HydrophobicContact CB-CD2 4.14Å; V29-L428 HydrophobicContact CB-CG 4.49Å; V29-L428 HydrophobicContact CG1-CB 4.11Å; V29-L428 HydrophobicContact CG1-CD1 4.13Å; V29-L428 HydrophobicContact CG1-CD2 4.04Å; V29-L428 HydrophobicContact CG1-CG 4.32Å; V29-L428 HydrophobicContact CG2-CD2 4.5Å; V29-L428 PolarHBondContact N-O 3.48Å; V29-L434 HydrophobicContact CG2-CD1 3.77Å; V29-L434 HydrophobicContact CG2-CD2 4.12Å; V29-L434 HydrophobicContact CG2-CG 4.39Å
30E89.8Confident82.5Confident9 Ų945 Ų454%0.04225%0.245CC..Hα-helixtrans-66.8-37169.6-70.5-163.1110.500112.8S28 L33 D34 R72 T423 L428 S429S28-E30 VanDerWaalsContact C-N 3.29Å; S28-E30 PolarHBondContact O-N 2.87Å; E30-L33 PolarHBondContact O-N 3.43Å; E30-D34 PolarHBondContact O-N 2.95Å; E30-R72 PolarHBondContact O-NH2 3.46Å; E30-T423 VanDerWaalsContact OE1-CB 3.22Å; E30-T423 WeakPolarHBondContact OE1-CB 3.44Å; E30-T423 PolarHBondContact OE1-N 2.9Å; E30-T423 PolarHBondContact OE1-OG1 3.4Å; E30-T423 PolarHBondContact OE2-N 2.85Å; E30-L428 HydrophobicContact CG-CB 4.11Å; E30-L428 PolarHBondContact N-O 3.41Å; E30-S429 VanDerWaalsContact OE2-CA 3.23Å; E30-S429 WeakPolarHBondContact OE2-CA 3.4Å; E30-S429 WeakPolarHBondContact OE2-CB 3.41Å
31T90.5Very high83.4Confident19 Ų1946 Ų4612%0.11725%0.249CC..Hα-helixtrans-66.3-41.1171.1-63.10000111.3A27 S28 L33 D34 V35 I418 G419A27-T31 HydrophobicContact CB-CG2 3.78Å; S28-T31 WeakPolarHBondContact O-CB 3.32Å; S28-T31 PolarHBondContact O-N 3.39Å; S28-T31 WeakPolarHBondContact OG-CB 3.35Å; S28-T31 PolarHBondContact OG-N 2.8Å; S28-T31 PolarHBondContact OG-OG1 2.78Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.36Å; T31-D34 CarbonylContact O-C 3.34Å; T31-D34 WeakPolarHBondContact O-CB 3.45Å; T31-D34 PolarHBondContact O-N 2.92Å; T31-D34 VanDerWaalsContact O-N 3.15Å; T31-V35 WeakPolarHBondContact O-CG2 3.39Å; T31-V35 PolarHBondContact O-N 3.39Å; T31-I418 HydrophobicContact CG2-CG2 4.08Å; T31-G419 WeakPolarHBondContact OG1-CA 3.36Å
32L91.1Very high84Confident74 Ų7445 Ų4539%0.38724%0.242SC..Hα-helixtrans-68.3-28.5174.5-67.6173.4000112.5F17 A27 S28 V29 V35 L36F17-L32 HydrophobicContact CD1-CD1 4.36Å; F17-L32 HydrophobicContact CE1-CD1 4.06Å; A27-L32 HydrophobicContact CB-CD2 4.1Å; A27-L32 HydrophobicContact CB-CG 4.13Å; S28-L32 WeakPolarHBondContact O-CG 3.32Å; S28-L32 PolarHBondContact O-N 2.91Å; V29-L32 PolarHBondContact O-N 3.32Å; L32-V35 PolarHBondContact O-N 3.21Å; L32-L36 WeakPolarHBondContact O-CB 3.37Å; L32-L36 PolarHBondContact O-N 3.16Å
33L91.8Very high85Confident43 Ų4341.2 Ų41.223%0.22522%0.222CC..Hα-helixtrans-73.4-32.4169.3-75.2169000112.1V29 E30 T31 L36 I37V29-L33 HydrophobicContact CG1-CD1 4.2Å; V29-L33 HydrophobicContact CG1-CG 4.41Å; V29-L33 WeakPolarHBondContact O-CB 3.48Å; V29-L33 VanDerWaalsContact O-CG 3.24Å; V29-L33 WeakPolarHBondContact O-CG 3.35Å; V29-L33 PolarHBondContact O-N 2.95Å; E30-L33 PolarHBondContact O-N 3.43Å; T31-L33 VanDerWaalsContact C-N 3.3Å; T31-L33 PolarHBondContact O-N 3.36Å; L33-L36 HydrophobicContact CD2-CD2 4.24Å; L33-L36 PolarHBondContact O-N 2.7Å; L33-I37 VanDerWaalsContact O-CB 3.26Å; L33-I37 WeakPolarHBondContact O-CB 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 3.47Å
34D92.5Very high86.2Confident4 Ų434.7 Ų34.72%0.02120%0.196CC..Hα-helixtrans-64.9-43.2167.3-82.42.7000111.4E30 T31 I37 C38 R72 Q164 I418 G419 F420 T421E30-D34 PolarHBondContact O-N 2.95Å; T31-D34 CarbonylContact O-C 3.34Å; T31-D34 WeakPolarHBondContact O-CB 3.45Å; T31-D34 PolarHBondContact O-N 2.92Å; T31-D34 VanDerWaalsContact O-N 3.15Å; D34-I37 PolarHBondContact O-N 3.39Å; D34-C38 WeakPolarHBondContact O-CB 3.32Å; D34-C38 PolarHBondContact O-N 2.97Å; D34-R72 IonicContact OD1-CZ 2.7Å; D34-R72 IonicContact OD1-NH1 3.23Å; D34-R72 PolarHBondContact OD1-NH1 2.74Å; D34-R72 IonicContact OD1-NH2 3.39Å; D34-R72 PolarHBondContact OD1-NH2 2.77Å; D34-Q164 PolarHBondContact OD2-NE2 2.78Å; D34-Q164 VanDerWaalsContact OD2-NE2 3.07Å; D34-I418 HydrophobicContact CB-CB 4.42Å; D34-I418 HydrophobicContact CB-CG1 4.42Å; D34-I418 HydrophobicContact CB-CG2 4.17Å; D34-G419 PolarHBondContact OD2-N 3.35Å; D34-F420 PolarHBondContact OD2-N 3.34Å; D34-T421 VanDerWaalsContact CG-OG1 3.23Å; D34-T421 VanDerWaalsContact OD1-CB 3.23Å; D34-T421 WeakPolarHBondContact OD1-CB 3.22Å; D34-T421 PolarHBondContact OD1-OG1 3.28Å; D34-T421 WeakPolarHBondContact OD2-CB 3.41Å; D34-T421 PolarHBondContact OD2-N 2.99Å; D34-T421 PolarHBondContact OD2-OG1 2.8Å; D34-T421 VanDerWaalsContact OD2-OG1 3.07Å
35V93Very high86.7Confident60 Ų6035.2 Ų35.236%0.36419%0.191SC..Hα-helixtrans-58.8-47.5171.61740000110.2T31 L32 L39 I418T31-V35 WeakPolarHBondContact O-CG2 3.39Å; T31-V35 PolarHBondContact O-N 3.39Å; L32-V35 PolarHBondContact O-N 3.21Å; V35-L39 WeakPolarHBondContact O-CB 3.2Å; V35-L39 PolarHBondContact O-N 2.88Å; V35-I418 HydrophobicContact CG2-CD1 4.2Å; V35-I418 HydrophobicContact CG2-CG2 3.6Å
36L92.1Very high86.6Confident43 Ų4325.8 Ų25.823%0.22515%0.148CC..Hα-helixtrans-65-40.9-179-173.166.9000112.3L32 L33 F40 F57 V61 I64 V65L32-L36 WeakPolarHBondContact O-CB 3.37Å; L32-L36 PolarHBondContact O-N 3.16Å; L33-L36 HydrophobicContact CD2-CD2 4.24Å; L33-L36 PolarHBondContact O-N 2.7Å; L36-F40 WeakPolarHBondContact O-CB 3.28Å; L36-F40 PolarHBondContact O-N 3.42Å; L36-F57 HydrophobicContact CD1-CE2 4.07Å; L36-F57 HydrophobicContact CD1-CZ 4.07Å; L36-V61 HydrophobicContact CD1-CG1 3.89Å; L36-V61 HydrophobicContact CD2-CG1 4.36Å; L36-V61 HydrophobicContact CG-CG1 4.15Å; L36-I64 HydrophobicContact CD2-CG2 4.32Å; L36-V65 HydrophobicContact CD2-CG2 4.04Å; L36-V65 HydrophobicContact CG-CG2 3.86Å
37I92Very high86.6Confident17 Ų1726.1 Ų26.19%0.08715%0.149CC..Hα-helixtrans-73.9-44179.3-74.1167.1000111.1L33 D34 F40 D41 V65 A68 K69L33-I37 VanDerWaalsContact O-CB 3.26Å; L33-I37 WeakPolarHBondContact O-CB 3.4Å; L33-I37 VanDerWaalsContact O-CG1 3.28Å; L33-I37 WeakPolarHBondContact O-CG1 3.35Å; L33-I37 PolarHBondContact O-N 3.47Å; D34-I37 PolarHBondContact O-N 3.39Å; I37-F40 PolarHBondContact O-N 2.97Å; I37-D41 WeakPolarHBondContact O-CB 3.43Å; I37-D41 PolarHBondContact O-N 3.37Å; I37-V65 HydrophobicContact CG1-CG1 4.02Å; I37-V65 HydrophobicContact CG1-CG2 4.16Å; I37-A68 HydrophobicContact CD1-CB 4.19Å; I37-K69 HydrophobicContact CD1-CG 4.37Å
38C91Very high86.4Confident7 Ų725.7 Ų25.75%0.04714%0.143CC..Hα-helixtrans-60.5-49.2174.1-1760000110.2D34 F40 D41 E42 I418D34-C38 WeakPolarHBondContact O-CB 3.32Å; D34-C38 PolarHBondContact O-N 2.97Å; C38-F40 PolarHBondContact O-N 3.08Å; C38-D41 PolarHBondContact O-N 2.87Å; C38-E42 VanDerWaalsContact O-CB 3.27Å; C38-E42 WeakPolarHBondContact O-CB 3.48Å; C38-E42 WeakPolarHBondContact O-CG 3.44Å; C38-E42 PolarHBondContact O-N 3.3Å; C38-I418 HydrophobicContact CB-CD1 3.83Å; C38-I418 HydrophobicContact CB-CG1 4Å
39L91.3Very high86Confident62 Ų6229 Ų2933%0.32516%0.155SC..Hα-helixtrans-58.5-47.2175.3-178.760.4000111.1V35 D41 E42 C43 F57 F410V35-L39 WeakPolarHBondContact O-CB 3.2Å; V35-L39 PolarHBondContact O-N 2.88Å; L39-D41 PolarHBondContact O-N 2.85Å; L39-E42 PolarHBondContact O-N 2.83Å; L39-C43 WeakPolarHBondContact O-CB 3.45Å; L39-C43 PolarHBondContact O-N 3.21Å; L39-C43 PolarHBondContact O-SG 2.88Å; L39-F57 HydrophobicContact CB-CZ 4.35Å; L39-F57 HydrophobicContact CD2-CE1 4.15Å; L39-F57 HydrophobicContact CD2-CE2 3.98Å; L39-F57 HydrophobicContact CD2-CZ 3.51Å; L39-F57 HydrophobicContact CG-CE1 3.86Å; L39-F57 HydrophobicContact CG-CZ 3.65Å; L39-F410 HydrophobicContact CD1-CE2 3.96Å
40F91.3Very high85.5Confident7 Ų731.1 Ų31.13%0.03116%0.16CC..Hα-helixtrans-60-42.7177.3178.4-89.1000113.1L36 I37 C38 C43 C44 V58 V61 K62 V65 H66L36-F40 WeakPolarHBondContact O-CB 3.28Å; L36-F40 PolarHBondContact O-N 3.42Å; I37-F40 PolarHBondContact O-N 2.97Å; C38-F40 PolarHBondContact O-N 3.08Å; F40-C43 CarbonylContact O-C 3.58Å; F40-C43 PolarHBondContact O-N 2.84Å; F40-C44 HydrophobicContact CE1-CB 4.42Å; F40-C44 WeakPolarHBondContact CE1-SG 3.46Å; F40-C44 WeakPolarHBondContact CZ-SG 3.46Å; F40-C44 WeakPolarHBondContact O-CB 3.41Å; F40-C44 PolarHBondContact O-N 3.39Å; F40-C44 PolarHBondContact O-SG 3.17Å; F40-V58 HydrophobicContact CE2-CG1 4.2Å; F40-V58 WeakPolarHBondContact CE2-O 3.3Å; F40-V61 HydrophobicContact CD2-CB 4.35Å; F40-V61 HydrophobicContact CD2-CG1 3.99Å; F40-K62 HydrophobicContact CE2-CB 4.14Å; F40-K62 HydrophobicContact CZ-CB 4.33Å; F40-K62 HydrophobicContact CZ-CG 4.21Å; F40-V65 HydrophobicContact CB-CB 4.32Å; F40-V65 HydrophobicContact CB-CG1 4.02Å; F40-V65 HydrophobicContact CB-CG2 3.96Å; F40-V65 HydrophobicContact CD1-CB 4.06Å; F40-V65 HydrophobicContact CD1-CG1 3.33Å; F40-V65 HydrophobicContact CD2-CB 4.06Å; F40-V65 HydrophobicContact CD2-CG1 4.24Å; F40-V65 HydrophobicContact CD2-CG2 4.28Å; F40-V65 HydrophobicContact CE1-CB 4.39Å; F40-V65 HydrophobicContact CE1-CG1 3.76Å; F40-V65 HydrophobicContact CE2-CB 4.41Å; F40-V65 HydrophobicContact CG-CB 3.88Å; F40-V65 HydrophobicContact CG-CG1 3.59Å; F40-V65 HydrophobicContact CG-CG2 4.04Å; F40-V65 HydrophobicContact CZ-CG1 4.39Å; F40-H66 AromaticContact CZ-CE1 3.76Å; F40-H66 AromaticContact CZ-ND1 3.91Å
41D89.5Confident85.1Confident24 Ų2433.4 Ų33.413%0.12817%0.171CC..Hα-helixtrans-71.6-41.2-179.5-74.3-18.1000112I37 C38 L39 C43 C44 N45 K69I37-D41 WeakPolarHBondContact O-CB 3.43Å; I37-D41 PolarHBondContact O-N 3.37Å; C38-D41 PolarHBondContact O-N 2.87Å; L39-D41 PolarHBondContact O-N 2.85Å; D41-C43 VanDerWaalsContact C-N 3.27Å; D41-C43 PolarHBondContact O-N 2.88Å; D41-C44 PolarHBondContact O-N 3.41Å; D41-C44 VanDerWaalsContact O-N 3.13Å; D41-N45 VanDerWaalsContact O-CB 3.31Å; D41-N45 WeakPolarHBondContact O-CB 3.3Å; D41-N45 VanDerWaalsContact O-CG 3.3Å; D41-N45 PolarHBondContact O-N 2.81Å; D41-N45 PolarHBondContact O-ND2 3.12Å; D41-K69 IonicContact OD1-NZ 2.78Å; D41-K69 PolarHBondContact OD1-NZ 2.85Å; D41-K69 WeakPolarHBondContact OD2-CE 3.35Å; D41-K69 IonicContact OD2-NZ 3.82Å; D41-K69 PolarHBondContact OD2-NZ 2.65Å
42E87.1Confident84.5Confident5 Ų535.7 Ų35.72%0.02318%0.179CC..Hα-helixtrans-59.6-41.1171.4-66-85.7-152.600110.4C38 L39 S46 F410 T411 G412C38-E42 VanDerWaalsContact O-CB 3.27Å; C38-E42 WeakPolarHBondContact O-CB 3.48Å; C38-E42 WeakPolarHBondContact O-CG 3.44Å; C38-E42 PolarHBondContact O-N 3.3Å; L39-E42 PolarHBondContact O-N 2.83Å; E42-S46 WeakPolarHBondContact O-CB 3.22Å; E42-S46 PolarHBondContact O-N 3.13Å; E42-S46 PolarHBondContact O-OG 3.36Å; E42-F410 HydrophobicContact CB-CD2 3.62Å; E42-F410 HydrophobicContact CB-CE2 3.48Å; E42-F410 VanDerWaalsContact CB-CE2 3.48Å; E42-F410 HydrophobicContact CB-CG 4.32Å; E42-F410 HydrophobicContact CB-CZ 4.06Å; E42-F410 HydrophobicContact CG-CD1 4.44Å; E42-F410 HydrophobicContact CG-CD2 4.01Å; E42-F410 HydrophobicContact CG-CE1 4.02Å; E42-F410 HydrophobicContact CG-CE2 3.58Å; E42-F410 HydrophobicContact CG-CG 4.43Å; E42-F410 HydrophobicContact CG-CZ 3.58Å; E42-F410 WeakPolarHBondContact OE1-CE1 3.28Å; E42-T411 VanDerWaalsContact CD-N 3.31Å; E42-T411 PolarHBondContact OE1-N 3.39Å; E42-T411 PolarHBondContact OE1-OG1 3.34Å; E42-T411 WeakPolarHBondContact OE2-CA 3.38Å; E42-T411 WeakPolarHBondContact OE2-CB 3.46Å; E42-T411 VanDerWaalsContact OE2-CG2 3.3Å; E42-T411 WeakPolarHBondContact OE2-CG2 3.44Å; E42-T411 PolarHBondContact OE2-N 3.27Å; E42-T411 PolarHBondContact OE2-OG1 3.37Å; E42-G412 WeakPolarHBondContact OE1-CA 3.16Å; E42-G412 PolarHBondContact OE1-N 3.35Å
43C86.7Confident84.2Confident2 Ų237.3 Ų37.31%0.01419%0.188CC..Hα-helixtrans-75.1-18.7175-65.80000114.5L39 F40 D41 R49 I54 F57 V58L39-C43 WeakPolarHBondContact O-CB 3.45Å; L39-C43 PolarHBondContact O-N 3.21Å; L39-C43 PolarHBondContact O-SG 2.88Å; F40-C43 CarbonylContact O-C 3.58Å; F40-C43 PolarHBondContact O-N 2.84Å; D41-C43 VanDerWaalsContact C-N 3.27Å; D41-C43 PolarHBondContact O-N 2.88Å; C43-R49 WeakPolarHBondContact O-CA 3.4Å; C43-R49 VanDerWaalsContact O-CB 3.3Å; C43-R49 WeakPolarHBondContact O-CB 3.42Å; C43-R49 WeakPolarHBondContact O-CG 3.46Å; C43-R49 PolarHBondContact O-N 3.17Å; C43-I54 HydrophobicContact CB-CG2 3.42Å; C43-I54 VanDerWaalsContact CB-CG2 3.42Å; C43-I54 WeakPolarHBondContact SG-CG2 3.44Å; C43-F57 HydrophobicContact CB-CE1 4.42Å; C43-V58 HydrophobicContact CB-CG2 3.59Å
44C84.3Confident83.9Confident17 Ų1737.4 Ų37.412%0.11519%0.189CC..Hα-helixtrans-94.3-27.3178.6-80.20000114.3F40 D41 R49F40-C44 HydrophobicContact CE1-CB 4.42Å; F40-C44 WeakPolarHBondContact CE1-SG 3.46Å; F40-C44 WeakPolarHBondContact CZ-SG 3.46Å; F40-C44 WeakPolarHBondContact O-CB 3.41Å; F40-C44 PolarHBondContact O-N 3.39Å; F40-C44 PolarHBondContact O-SG 3.17Å; D41-C44 PolarHBondContact O-N 3.41Å; D41-C44 VanDerWaalsContact O-N 3.13Å; C44-R49 WeakPolarHBondContact O-CG 3.27Å; C44-R49 PolarHBondContact O-NH1 3.28Å; C44-R49 VanDerWaalsContact O-NH1 3.12Å
45N69.1Low83.5Confident44 Ų4437.2 Ų37.224%0.23519%0.187CC..Hα-helixtrans-92.1-48.3-178.5-69.3-27000111.7D41 E1266 S1267D41-N45 VanDerWaalsContact O-CB 3.31Å; D41-N45 WeakPolarHBondContact O-CB 3.3Å; D41-N45 VanDerWaalsContact O-CG 3.3Å; D41-N45 PolarHBondContact O-N 2.81Å; D41-N45 PolarHBondContact O-ND2 3.12Å; N45-E1266 HydrophobicContact CB-CB 4.1Å; N45-E1266 CarbonylContact O-C 3.47Å; N45-E1266 VanDerWaalsContact O-CB 3.28Å; N45-E1266 WeakPolarHBondContact O-CB 3.27Å; N45-S1267 WeakPolarHBondContact OD1-CB 3.46Å
46S64.7Low83.1Confident6 Ų637.6 Ų37.64%0.04219%0.187CC..SBendtrans-76-179.8-16973.30000114.4E42 L48 R49 P409 E1266E42-S46 WeakPolarHBondContact O-CB 3.22Å; E42-S46 PolarHBondContact O-N 3.13Å; E42-S46 PolarHBondContact O-OG 3.36Å; S46-L48 PolarHBondContact O-N 3Å; S46-L48 VanDerWaalsContact O-N 3.09Å; S46-L48 WeakPolarHBondContact OG-CB 3.34Å; S46-L48 WeakPolarHBondContact OG-CG 3.48Å; S46-L48 PolarHBondContact OG-N 3.39Å; S46-R49 WeakPolarHBondContact O-CB 3.46Å; S46-R49 PolarHBondContact O-N 3.08Å; S46-P409 VanDerWaalsContact CB-O 3.23Å; S46-P409 WeakPolarHBondContact CB-O 3.49Å; S46-P409 PolarHBondContact OG-O 3.2Å; S46-E1266 VanDerWaalsContact CA-OE2 3.23Å; S46-E1266 WeakPolarHBondContact CA-OE2 3.16Å; S46-E1266 WeakPolarHBondContact CB-OE2 3.41Å
47T73.4Confident83Confident28 Ų2838 Ų3817%0.17219%0.187CC..THydrogen-bonded Turntrans-56.1-19.5165.5350000114.6R49 K50 A1272 S1273 R1274T47-R49 PolarHBondContact O-N 3.1Å; T47-R49 VanDerWaalsContact O-N 3.12Å; T47-K50 HydrophobicContact CG2-CD 4.49Å; T47-K50 VanDerWaalsContact O-CB 3.3Å; T47-K50 WeakPolarHBondContact O-CB 3.49Å; T47-K50 WeakPolarHBondContact O-CG 3.45Å; T47-K50 PolarHBondContact O-N 3.01Å; T47-A1272 VanDerWaalsContact CG2-O 3.31Å; T47-A1272 WeakPolarHBondContact CG2-O 3.31Å; T47-S1273 VanDerWaalsContact CG2-CA 3.43Å; T47-R1274 HydrophobicContact CG2-CB 4.2Å; T47-R1274 WeakPolarHBondContact OG1-CB 3.3Å
48L79.1Confident82.9Confident20 Ų2037.2 Ų37.211%0.10518%0.184CC..THydrogen-bonded Turntrans-60.6-20174.3-54.8176.4000111.4S46 K50 E51 I54 P409 F410S46-L48 PolarHBondContact O-N 3Å; S46-L48 VanDerWaalsContact O-N 3.09Å; S46-L48 WeakPolarHBondContact OG-CB 3.34Å; S46-L48 WeakPolarHBondContact OG-CG 3.48Å; S46-L48 PolarHBondContact OG-N 3.39Å; L48-K50 PolarHBondContact O-N 3.48Å; L48-E51 HydrophobicContact CD2-CG 4.49Å; L48-E51 WeakPolarHBondContact O-CG 3.5Å; L48-E51 PolarHBondContact O-N 2.79Å; L48-I54 HydrophobicContact CB-CD1 3.8Å; L48-I54 HydrophobicContact CB-CG2 4.02Å; L48-I54 HydrophobicContact CD1-CD1 4.29Å; L48-I54 HydrophobicContact CD2-CD1 3.68Å; L48-I54 HydrophobicContact CG-CD1 4.12Å; L48-I54 WeakPolarHBondContact O-CG2 3.27Å; L48-P409 HydrophobicContact CD2-CB 3.68Å; L48-P409 HydrophobicContact CG-CB 4.21Å; L48-F410 HydrophobicContact CD1-CB 4.04Å; L48-F410 HydrophobicContact CD1-CD2 4.27Å
49R77.9Confident82.7Confident77 Ų7740.7 Ų40.729%0.29120%0.199SC..THydrogen-bonded Turntrans-67.431.3164.1-143.6-100.9172.873.6-5.6113.3C43 C44 S46 T47 S1708 P1710C43-R49 WeakPolarHBondContact O-CA 3.4Å; C43-R49 VanDerWaalsContact O-CB 3.3Å; C43-R49 WeakPolarHBondContact O-CB 3.42Å; C43-R49 WeakPolarHBondContact O-CG 3.46Å; C43-R49 PolarHBondContact O-N 3.17Å; C44-R49 WeakPolarHBondContact O-CG 3.27Å; C44-R49 PolarHBondContact O-NH1 3.28Å; C44-R49 VanDerWaalsContact O-NH1 3.12Å; S46-R49 WeakPolarHBondContact O-CB 3.46Å; S46-R49 PolarHBondContact O-N 3.08Å; T47-R49 PolarHBondContact O-N 3.1Å; T47-R49 VanDerWaalsContact O-N 3.12Å; R49-S1708 PolarHBondContact NH2-O 2.99Å; R49-P1710 VanDerWaalsContact C-CD 3.44Å; R49-P1710 HydrophobicContact CG-CG 4.42Å; R49-P1710 VanDerWaalsContact O-CD 3.31Å; R49-P1710 WeakPolarHBondContact O-CD 3.37Å; R49-P1710 WeakPolarHBondContact O-CG 3.33Å
50K77Confident82.5Confident85 Ų8544.6 Ų44.637%0.3722%0.215SC..THydrogen-bonded Turntrans-135.9-1.5172.1-60.4171.8178.4170.50114.1T47 L48 H1271 A1272T47-K50 HydrophobicContact CG2-CD 4.49Å; T47-K50 VanDerWaalsContact O-CB 3.3Å; T47-K50 WeakPolarHBondContact O-CB 3.49Å; T47-K50 WeakPolarHBondContact O-CG 3.45Å; T47-K50 PolarHBondContact O-N 3.01Å; L48-K50 PolarHBondContact O-N 3.48Å; K50-H1271 PolarHBondContact NZ-O 3.39Å; K50-A1272 PolarHBondContact NZ-O 2.82Å
51E80.7Confident82.4Confident57 Ų5744.8 Ų44.827%0.26622%0.217SC..  trans-122.9125.1-153.6-47.2-71.579.900115.3L48 D53 I54 A55 F1713L48-E51 HydrophobicContact CD2-CG 4.49Å; L48-E51 WeakPolarHBondContact O-CG 3.5Å; L48-E51 PolarHBondContact O-N 2.79Å; E51-D53 PolarHBondContact O-N 3.36Å; E51-I54 HydrophobicContact CB-CB 4.34Å; E51-I54 HydrophobicContact CB-CD1 4.19Å; E51-I54 CarbonylContact O-C 3.6Å; E51-I54 WeakPolarHBondContact O-CB 3.13Å; E51-I54 PolarHBondContact O-N 3.31Å; E51-A55 WeakPolarHBondContact O-CA 3.24Å; E51-A55 WeakPolarHBondContact O-CB 3.18Å; E51-A55 PolarHBondContact O-N 3.36Å; E51-F1713 HydrophobicContact CB-CD1 4.04Å; E51-F1713 HydrophobicContact CB-CD2 4.21Å; E51-F1713 HydrophobicContact CB-CE1 3.63Å; E51-F1713 HydrophobicContact CB-CE2 3.75Å; E51-F1713 HydrophobicContact CB-CG 4.31Å; E51-F1713 HydrophobicContact CB-CZ 3.43Å; E51-F1713 VanDerWaalsContact CB-CZ 3.43Å; E51-F1713 HydrophobicContact CG-CE1 3.88Å; E51-F1713 HydrophobicContact CG-CZ 3.88Å; E51-F1713 WeakPolarHBondContact OE1-CE1 3.37Å; E51-F1713 WeakPolarHBondContact OE2-CE1 3.4Å; E51-F1713 VanDerWaalsContact OE2-CZ 3.25Å; E51-F1713 WeakPolarHBondContact OE2-CZ 3.49Å
52K78.9Confident82.5Confident68 Ų6847.5 Ų47.530%0.29623%0.228SC..Hα-helixtrans-38.2-56.4-162.2-102.9-115.2-165.5-49.10115.2A55 N56 N1712 F1713K52-A55 WeakPolarHBondContact O-CA 3.19Å; K52-A55 VanDerWaalsContact O-CB 3.26Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.48Å; K52-A55 VanDerWaalsContact O-N 3.13Å; K52-N56 WeakPolarHBondContact O-CB 3.28Å; K52-N56 PolarHBondContact O-N 2.79Å; K52-N56 PolarHBondContact O-ND2 2.81Å; K52-N1712 HydrophobicContact CB-CB 3.85Å; K52-N1712 HydrophobicContact CD-CB 3.73Å; K52-N1712 HydrophobicContact CG-CB 3.54Å; K52-N1712 PolarHBondContact NZ-OD1 3.28Å; K52-F1713 HydrophobicContact CB-CB 3.53Å; K52-F1713 HydrophobicContact CB-CD2 3.69Å; K52-F1713 HydrophobicContact CB-CG 4Å; K52-F1713 HydrophobicContact CG-CB 3.51Å; K52-F1713 HydrophobicContact CG-CG 4.49Å; K52-F1713 VanDerWaalsContact CG-N 3.28Å; K52-F1713 WeakPolarHBondContact CG-O 3.43Å; K52-F1713 PolarHBondContact NZ-O 3.27Å
53D84.1Confident82.6Confident107 Ų10751.4 Ų51.457%0.57225%0.254SS*.Hα-helixtrans-87.1-39-155.6-49-69.7000107.2E51 A55 F57E51-D53 PolarHBondContact O-N 3.36Å; D53-A55 PolarHBondContact O-N 2.81Å; D53-F57 WeakPolarHBondContact O-CB 3.19Å; D53-F57 PolarHBondContact O-N 3.26Å
54I86Confident82.7Confident45 Ų4555.4 Ų55.423%0.23127%0.274CS..Hα-helixtrans-57.2-30.2160-55.6178.9000112.4C43 L48 E51 F57 V58C43-I54 HydrophobicContact CB-CG2 3.42Å; C43-I54 VanDerWaalsContact CB-CG2 3.42Å; C43-I54 WeakPolarHBondContact SG-CG2 3.44Å; L48-I54 HydrophobicContact CB-CD1 3.8Å; L48-I54 HydrophobicContact CB-CG2 4.02Å; L48-I54 HydrophobicContact CD1-CD1 4.29Å; L48-I54 HydrophobicContact CD2-CD1 3.68Å; L48-I54 HydrophobicContact CG-CD1 4.12Å; L48-I54 WeakPolarHBondContact O-CG2 3.27Å; E51-I54 HydrophobicContact CB-CB 4.34Å; E51-I54 HydrophobicContact CB-CD1 4.19Å; E51-I54 CarbonylContact O-C 3.6Å; E51-I54 WeakPolarHBondContact O-CB 3.13Å; E51-I54 PolarHBondContact O-N 3.31Å; I54-F57 WeakPolarHBondContact O-CB 3.18Å; I54-V58 WeakPolarHBondContact O-CB 3.35Å; I54-V58 VanDerWaalsContact O-CG2 3.28Å; I54-V58 WeakPolarHBondContact O-CG2 2.97Å; I54-V58 PolarHBondContact O-N 2.87Å
55A85.2Confident83Confident0 Ų054.6 Ų54.60%027%0.268CS..Hα-helixtrans-83.9-51.8-172.300000113.4E51 K52 D53 F57 V58 E59 P1710 N1712E51-A55 WeakPolarHBondContact O-CA 3.24Å; E51-A55 WeakPolarHBondContact O-CB 3.18Å; E51-A55 PolarHBondContact O-N 3.36Å; K52-A55 WeakPolarHBondContact O-CA 3.19Å; K52-A55 VanDerWaalsContact O-CB 3.26Å; K52-A55 WeakPolarHBondContact O-CB 3.31Å; K52-A55 PolarHBondContact O-N 3.48Å; K52-A55 VanDerWaalsContact O-N 3.13Å; D53-A55 PolarHBondContact O-N 2.81Å; A55-F57 PolarHBondContact O-N 2.71Å; A55-V58 PolarHBondContact O-N 2.77Å; A55-V58 VanDerWaalsContact O-N 3.14Å; A55-E59 PolarHBondContact O-N 2.85Å; A55-P1710 CarbonylContact C-O 3.51Å; A55-P1710 VanDerWaalsContact C-O 3.27Å; A55-P1710 WeakPolarHBondContact CA-O 3.4Å; A55-P1710 VanDerWaalsContact CB-C 3.43Å; A55-P1710 HydrophobicContact CB-CB 3.48Å; A55-P1710 VanDerWaalsContact CB-CB 3.48Å; A55-P1710 HydrophobicContact CB-CG 3.27Å; A55-P1710 VanDerWaalsContact CB-O 3.27Å; A55-P1710 WeakPolarHBondContact CB-O 3.47Å; A55-N1712 HydrophobicContact CB-CB 4.18Å
56N84.4Confident84Confident68 Ų6857 Ų5736%0.36428%0.278SS..Hα-helixtrans-55.8-41.4165.4-70.3-27.4000110K52 E59 H60 N1712K52-N56 WeakPolarHBondContact O-CB 3.28Å; K52-N56 PolarHBondContact O-N 2.79Å; K52-N56 PolarHBondContact O-ND2 2.81Å; N56-E59 PolarHBondContact O-N 3.26Å; N56-H60 WeakPolarHBondContact O-CB 3.17Å; N56-H60 PolarHBondContact O-N 2.78Å; N56-N1712 PolarHBondContact ND2-ND2 3.49Å; N56-N1712 WeakPolarHBondContact OD1-CB 3.34Å; N56-N1712 PolarHBondContact OD1-ND2 3.16Å
57F89.9Confident85.1Confident51 Ų5163.5 Ų63.522%0.22431%0.306CS..Hα-helixtrans-56.1-53.7170.6168-92.2000111.7L36 L39 C43 D53 I54 A55 E59 H60 V61L36-F57 HydrophobicContact CD1-CE2 4.07Å; L36-F57 HydrophobicContact CD1-CZ 4.07Å; L39-F57 HydrophobicContact CB-CZ 4.35Å; L39-F57 HydrophobicContact CD2-CE1 4.15Å; L39-F57 HydrophobicContact CD2-CE2 3.98Å; L39-F57 HydrophobicContact CD2-CZ 3.51Å; L39-F57 HydrophobicContact CG-CE1 3.86Å; L39-F57 HydrophobicContact CG-CZ 3.65Å; C43-F57 HydrophobicContact CB-CE1 4.42Å; D53-F57 WeakPolarHBondContact O-CB 3.19Å; D53-F57 PolarHBondContact O-N 3.26Å; I54-F57 WeakPolarHBondContact O-CB 3.18Å; A55-F57 PolarHBondContact O-N 2.71Å; F57-E59 PolarHBondContact O-N 2.74Å; F57-H60 PolarHBondContact O-N 3.28Å; F57-V61 HydrophobicContact CD2-CG2 3.7Å; F57-V61 HydrophobicContact CE2-CB 4.48Å; F57-V61 HydrophobicContact CE2-CG2 3.72Å; F57-V61 HydrophobicContact CG-CG2 4.26Å; F57-V61 HydrophobicContact CZ-CG1 4.45Å; F57-V61 HydrophobicContact CZ-CG2 4.29Å; F57-V61 WeakPolarHBondContact O-CA 3.45Å; F57-V61 WeakPolarHBondContact O-CB 3.45Å; F57-V61 VanDerWaalsContact O-CG2 3.29Å; F57-V61 WeakPolarHBondContact O-CG2 3.46Å; F57-V61 PolarHBondContact O-N 2.86Å
58V88.6Confident85.9Confident2 Ų263 Ų631%0.01230%0.304CS..Hα-helixtrans-57.3-47178.8161.90000111.3F40 C43 I54 A55 K62F40-V58 HydrophobicContact CE2-CG1 4.2Å; F40-V58 WeakPolarHBondContact CE2-O 3.3Å; C43-V58 HydrophobicContact CB-CG2 3.59Å; I54-V58 WeakPolarHBondContact O-CB 3.35Å; I54-V58 VanDerWaalsContact O-CG2 3.28Å; I54-V58 WeakPolarHBondContact O-CG2 2.97Å; I54-V58 PolarHBondContact O-N 2.87Å; A55-V58 PolarHBondContact O-N 2.77Å; A55-V58 VanDerWaalsContact O-N 3.14Å; V58-K62 WeakPolarHBondContact O-CA 3.18Å; V58-K62 WeakPolarHBondContact O-CB 3.49Å; V58-K62 PolarHBondContact O-N 2.92Å
59E87.1Confident86.4Confident80 Ų8065.1 Ų65.137%0.37431%0.313SS..Hα-helixtrans-68.8-42.9179.9-178.5154.5-127.600113.2A55 N56 F57 K62 P63 S1708 S1711A55-E59 PolarHBondContact O-N 2.85Å; N56-E59 PolarHBondContact O-N 3.26Å; F57-E59 PolarHBondContact O-N 2.74Å; E59-K62 WeakPolarHBondContact O-CB 3.47Å; E59-K62 PolarHBondContact O-N 3.43Å; E59-P63 WeakPolarHBondContact O-CD 3.09Å; E59-S1708 VanDerWaalsContact CD-CB 3.49Å; E59-S1708 WeakPolarHBondContact OE1-CB 3.1Å; E59-S1711 WeakPolarHBondContact OE2-CB 3.25Å; E59-S1711 PolarHBondContact OE2-OG 3.2Å
60H87.1Confident86.9Confident143 Ų14365 Ų6566%0.66233%0.328SS*.Hα-helixtrans-66.8-41.1179.3-176.885.5000112.5N56 F57 P63N56-H60 WeakPolarHBondContact O-CB 3.17Å; N56-H60 PolarHBondContact O-N 2.78Å; F57-H60 PolarHBondContact O-N 3.28Å; H60-P63 WeakPolarHBondContact O-CD 3.05Å
61V90.6Very high87.5Confident11 Ų1167.3 Ų67.37%0.06734%0.344CS..Hα-helixtrans-83-18.6179.2176.60000111.6L36 F40 F57 I64 V65L36-V61 HydrophobicContact CD1-CG1 3.89Å; L36-V61 HydrophobicContact CD2-CG1 4.36Å; L36-V61 HydrophobicContact CG-CG1 4.15Å; F40-V61 HydrophobicContact CD2-CB 4.35Å; F40-V61 HydrophobicContact CD2-CG1 3.99Å; F57-V61 HydrophobicContact CD2-CG2 3.7Å; F57-V61 HydrophobicContact CE2-CB 4.48Å; F57-V61 HydrophobicContact CE2-CG2 3.72Å; F57-V61 HydrophobicContact CG-CG2 4.26Å; F57-V61 HydrophobicContact CZ-CG1 4.45Å; F57-V61 HydrophobicContact CZ-CG2 4.29Å; F57-V61 WeakPolarHBondContact O-CA 3.45Å; F57-V61 WeakPolarHBondContact O-CB 3.45Å; F57-V61 VanDerWaalsContact O-CG2 3.29Å; F57-V61 WeakPolarHBondContact O-CG2 3.46Å; F57-V61 PolarHBondContact O-N 2.86Å; V61-I64 CarbonylContact O-C 3.58Å; V61-I64 WeakPolarHBondContact O-CA 3.42Å; V61-I64 WeakPolarHBondContact O-CB 3.41Å; V61-I64 PolarHBondContact O-N 2.82Å; V61-V65 HydrophobicContact CG1-CB 4.2Å; V61-V65 HydrophobicContact CG1-CG2 3.48Å; V61-V65 VanDerWaalsContact CG1-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.45Å
62K90.5Very high88Confident82 Ų8266.7 Ų66.736%0.35734%0.339SS..Hα-helixtrans-46.9-54.6178.2-169.8175.2-175.3-176.80113.8F40 V58 E59 I64 V65 H66F40-K62 HydrophobicContact CE2-CB 4.14Å; F40-K62 HydrophobicContact CZ-CB 4.33Å; F40-K62 HydrophobicContact CZ-CG 4.21Å; V58-K62 WeakPolarHBondContact O-CA 3.18Å; V58-K62 WeakPolarHBondContact O-CB 3.49Å; V58-K62 PolarHBondContact O-N 2.92Å; E59-K62 WeakPolarHBondContact O-CB 3.47Å; E59-K62 PolarHBondContact O-N 3.43Å; K62-I64 VanDerWaalsContact C-N 3.28Å; K62-I64 PolarHBondContact O-N 2.97Å; K62-V65 PolarHBondContact O-N 2.84Å; K62-H66 WeakPolarHBondContact CE-NE2 3.42Å; K62-H66 WeakPolarHBondContact O-CB 3.16Å; K62-H66 VanDerWaalsContact O-CG 3.29Å; K62-H66 PolarHBondContact O-N 2.67Å; K62-H66 PolarHBondContact O-ND1 2.96Å; K62-H66 VanDerWaalsContact O-ND1 3.12Å
63P89.7Confident88.5Confident86 Ų8665.4 Ų65.456%0.55834%0.335SS*.Hα-helixtrans-63-34.4178.325.3-35.1000112.6E59 H60 K67E59-P63 WeakPolarHBondContact O-CD 3.09Å; H60-P63 WeakPolarHBondContact O-CD 3.05Å; P63-K67 WeakPolarHBondContact O-CB 3.06Å; P63-K67 PolarHBondContact O-N 3.45Å
64I89.2Confident88.8Confident86 Ų8664.8 Ų64.844%0.44133%0.329SS..Hα-helixtrans-67.6-51.8179-53.6177.4000110.1L36 V61 K62 K67 A68L36-I64 HydrophobicContact CD2-CG2 4.32Å; V61-I64 CarbonylContact O-C 3.58Å; V61-I64 WeakPolarHBondContact O-CA 3.42Å; V61-I64 WeakPolarHBondContact O-CB 3.41Å; V61-I64 PolarHBondContact O-N 2.82Å; K62-I64 VanDerWaalsContact C-N 3.28Å; K62-I64 PolarHBondContact O-N 2.97Å; I64-K67 PolarHBondContact O-N 3.07Å; I64-A68 WeakPolarHBondContact O-CB 3.38Å; I64-A68 PolarHBondContact O-N 3.38Å
65V90.1Very high89Confident0 Ų067.5 Ų67.50%034%0.336CS..Hα-helixtrans-74.6-33.5-178.6164.10000112.6L36 I37 F40 V61 K62 K67 A68 K69L36-V65 HydrophobicContact CD2-CG2 4.04Å; L36-V65 HydrophobicContact CG-CG2 3.86Å; I37-V65 HydrophobicContact CG1-CG1 4.02Å; I37-V65 HydrophobicContact CG1-CG2 4.16Å; F40-V65 HydrophobicContact CB-CB 4.32Å; F40-V65 HydrophobicContact CB-CG1 4.02Å; F40-V65 HydrophobicContact CB-CG2 3.96Å; F40-V65 HydrophobicContact CD1-CB 4.06Å; F40-V65 HydrophobicContact CD1-CG1 3.33Å; F40-V65 HydrophobicContact CD2-CB 4.06Å; F40-V65 HydrophobicContact CD2-CG1 4.24Å; F40-V65 HydrophobicContact CD2-CG2 4.28Å; F40-V65 HydrophobicContact CE1-CB 4.39Å; F40-V65 HydrophobicContact CE1-CG1 3.76Å; F40-V65 HydrophobicContact CE2-CB 4.41Å; F40-V65 HydrophobicContact CG-CB 3.88Å; F40-V65 HydrophobicContact CG-CG1 3.59Å; F40-V65 HydrophobicContact CG-CG2 4.04Å; F40-V65 HydrophobicContact CZ-CG1 4.39Å; V61-V65 HydrophobicContact CG1-CB 4.2Å; V61-V65 HydrophobicContact CG1-CG2 3.48Å; V61-V65 VanDerWaalsContact CG1-CG2 3.48Å; V61-V65 PolarHBondContact O-N 3.45Å; K62-V65 PolarHBondContact O-N 2.84Å; V65-K67 VanDerWaalsContact C-N 3.33Å; V65-A68 PolarHBondContact O-N 2.87Å; V65-K69 HydrophobicContact CG1-CD 4.32Å; V65-K69 HydrophobicContact CG1-CG 4.31Å; V65-K69 WeakPolarHBondContact O-CB 2.95Å; V65-K69 WeakPolarHBondContact O-CG 3.46Å; V65-K69 PolarHBondContact O-N 2.61Å
66H89.7Confident89.2Confident94 Ų9472.4 Ų72.444%0.43536%0.363SS..Hα-helixtrans-64.4-40.8171-74.736.4000110.9F40 K62 A70F40-H66 AromaticContact CZ-CE1 3.76Å; F40-H66 AromaticContact CZ-ND1 3.91Å; K62-H66 WeakPolarHBondContact CE-NE2 3.42Å; K62-H66 WeakPolarHBondContact O-CB 3.16Å; K62-H66 VanDerWaalsContact O-CG 3.29Å; K62-H66 PolarHBondContact O-N 2.67Å; K62-H66 PolarHBondContact O-ND1 2.96Å; K62-H66 VanDerWaalsContact O-ND1 3.12Å; H66-A70 VanDerWaalsContact O-CB 3.24Å; H66-A70 WeakPolarHBondContact O-CB 3.37Å; H66-A70 PolarHBondContact O-N 3.38Å
67K88.7Confident89.5Confident143 Ų14372.2 Ų72.262%0.62236%0.361SS*.Hα-helixtrans-66.7-40.8173.3-173.4175.3179.3-177.10111.9P63 I64 V65 A70 L71P63-K67 WeakPolarHBondContact O-CB 3.06Å; P63-K67 PolarHBondContact O-N 3.45Å; I64-K67 PolarHBondContact O-N 3.07Å; V65-K67 VanDerWaalsContact C-N 3.33Å; K67-A70 PolarHBondContact O-N 3.05Å; K67-L71 HydrophobicContact CD-CD1 4.37Å; K67-L71 HydrophobicContact CG-CD1 3.74Å; K67-L71 HydrophobicContact CG-CG 4.29Å; K67-L71 WeakPolarHBondContact O-CB 3.27Å; K67-L71 VanDerWaalsContact O-CG 3.28Å; K67-L71 WeakPolarHBondContact O-CG 3.05Å; K67-L71 PolarHBondContact O-N 2.77Å
68A89.2Confident89.7Confident17 Ų1770.1 Ų70.114%0.1435%0.352CS..Hα-helixtrans-64.7-42.8176.600000112I37 I64 V65 A70 L71 R72I37-A68 HydrophobicContact CD1-CB 4.19Å; I64-A68 WeakPolarHBondContact O-CB 3.38Å; I64-A68 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 2.87Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A68-A70 PolarHBondContact O-N 3.29Å; A68-L71 PolarHBondContact O-N 2.8Å; A68-R72 VanDerWaalsContact O-CB 3.31Å; A68-R72 WeakPolarHBondContact O-CB 3.33Å; A68-R72 WeakPolarHBondContact O-CG 3.12Å; A68-R72 PolarHBondContact O-N 3.47Å
69K90.3Very high89.8Confident66 Ų6673.1 Ų73.129%0.28737%0.366SS..Hα-helixtrans-66.5-31.2174.1-77.3-170.8167.9-169.50113.4I37 D41 V65 Q74I37-K69 HydrophobicContact CD1-CG 4.37Å; D41-K69 IonicContact OD1-NZ 2.78Å; D41-K69 PolarHBondContact OD1-NZ 2.85Å; D41-K69 WeakPolarHBondContact OD2-CE 3.35Å; D41-K69 IonicContact OD2-NZ 3.82Å; D41-K69 PolarHBondContact OD2-NZ 2.65Å; V65-K69 HydrophobicContact CG1-CD 4.32Å; V65-K69 HydrophobicContact CG1-CG 4.31Å; V65-K69 WeakPolarHBondContact O-CB 2.95Å; V65-K69 WeakPolarHBondContact O-CG 3.46Å; V65-K69 PolarHBondContact O-N 2.61Å; K69-Q74 PolarHBondContact O-NE2 2.6Å
70A88Confident89.9Confident74 Ų7472.3 Ų72.361%0.61236%0.364SS*.Hα-helixtrans-86.7-7.9177.400000114.3H66 K67 A68H66-A70 VanDerWaalsContact O-CB 3.24Å; H66-A70 WeakPolarHBondContact O-CB 3.37Å; H66-A70 PolarHBondContact O-N 3.38Å; K67-A70 PolarHBondContact O-N 3.05Å; A68-A70 VanDerWaalsContact C-N 3.33Å; A68-A70 PolarHBondContact O-N 3.29Å
71L89.2Confident90Very high134 Ų13468.6 Ų68.670%0.70235%0.349SS*.Hα-helixtrans-110.2-20.8174.6-69.2177.8000113.2K67 A68K67-L71 HydrophobicContact CD-CD1 4.37Å; K67-L71 HydrophobicContact CG-CD1 3.74Å; K67-L71 HydrophobicContact CG-CG 4.29Å; K67-L71 WeakPolarHBondContact O-CB 3.27Å; K67-L71 VanDerWaalsContact O-CG 3.28Å; K67-L71 WeakPolarHBondContact O-CG 3.05Å; K67-L71 PolarHBondContact O-N 2.77Å; A68-L71 PolarHBondContact O-N 2.8Å
72R90.5Very high89.8Confident43 Ų4372 Ų7216%0.16236%0.363CS..SBendtrans-74.2147.8164.3-79176.7161.8-155.6-3.7109.9E30 D34 A68 T421E30-R72 PolarHBondContact O-NH2 3.46Å; D34-R72 IonicContact OD1-CZ 2.7Å; D34-R72 IonicContact OD1-NH1 3.23Å; D34-R72 PolarHBondContact OD1-NH1 2.74Å; D34-R72 IonicContact OD1-NH2 3.39Å; D34-R72 PolarHBondContact OD1-NH2 2.77Å; A68-R72 VanDerWaalsContact O-CB 3.31Å; A68-R72 WeakPolarHBondContact O-CB 3.33Å; A68-R72 WeakPolarHBondContact O-CG 3.12Å; A68-R72 PolarHBondContact O-N 3.47Å; R72-T421 PolarHBondContact NH1-OG1 2.62Å
73L90.4Very high89.6Confident41 Ų4169.4 Ų69.422%0.21535%0.353CS..  trans-58.6142175.3-71.1166.5000112D77 F78 L115 Y161 F163L73-D77 WeakPolarHBondContact CA-OD2 3.39Å; L73-D77 HydrophobicContact CD2-CB 4.23Å; L73-F78 HydrophobicContact CB-CE2 4.36Å; L73-F78 HydrophobicContact CD1-CE2 4.43Å; L73-F78 HydrophobicContact CD1-CZ 4.22Å; L73-F78 HydrophobicContact CD2-CE2 4.06Å; L73-F78 HydrophobicContact CD2-CZ 4.22Å; L73-L115 HydrophobicContact CD2-CD1 4.19Å; L73-Y161 HydrophobicContact CD1-CD1 3.44Å; L73-Y161 VanDerWaalsContact CD1-CD1 3.44Å; L73-Y161 HydrophobicContact CD1-CD2 3.61Å; L73-Y161 HydrophobicContact CD1-CE1 3.98Å; L73-Y161 HydrophobicContact CD1-CE2 4.13Å; L73-Y161 HydrophobicContact CD1-CG 3.24Å; L73-F163 HydrophobicContact CB-CB 4.5Å; L73-F163 HydrophobicContact CB-CD1 3.77Å; L73-F163 HydrophobicContact CB-CD2 4.45Å; L73-F163 HydrophobicContact CB-CE1 3.99Å; L73-F163 HydrophobicContact CB-CG 4.01Å; L73-F163 HydrophobicContact CB-CZ 4.45Å; L73-F163 HydrophobicContact CD1-CD1 4.32Å; L73-F163 VanDerWaalsContact O-CD2 3.23Å; L73-F163 WeakPolarHBondContact O-CD2 3.44Å
74Q89.5Confident89.4Confident95 Ų9566.1 Ų66.144%0.44433%0.331SS..  trans-123.7163.4174.2-56.9-172.314.800109.8K69 D76 D77 F78K69-Q74 PolarHBondContact O-NE2 2.6Å; Q74-D76 PolarHBondContact O-N 3.31Å; Q74-D76 VanDerWaalsContact O-N 3.15Å; Q74-D77 PolarHBondContact N-OD2 3.32Å; Q74-D77 WeakPolarHBondContact O-CB 3.39Å; Q74-D77 PolarHBondContact O-N 3.43Å; Q74-F78 WeakPolarHBondContact O-CD2 3.47Å
75R90.5Very high88.8Confident101 Ų10163.2 Ų63.238%0.38132%0.322SS..G310 helixtrans-56.3-33.3178.1-179.7-89.8-178.6145.21.7112.5D77 F78 Y170R75-D77 VanDerWaalsContact C-N 3.34Å; R75-F78 PolarHBondContact O-N 3.04Å; R75-Y170 HydrophobicContact CB-CE1 4.14Å; R75-Y170 HydrophobicContact CB-CE2 4.48Å; R75-Y170 HydrophobicContact CG-CE1 3.96Å
76D90.4Very high87.9Confident104 Ų10466.7 Ų66.756%0.55634%0.335SS*.G310 helixtrans-79.8-13.1-174.5-65.9-14.1000113.6Q74 F78 R116Q74-D76 PolarHBondContact O-N 3.31Å; Q74-D76 VanDerWaalsContact O-N 3.15Å; D76-F78 PolarHBondContact O-N 2.82Å; D76-R116 WeakPolarHBondContact O-CD 3.5Å; D76-R116 PolarHBondContact O-NE 3.29Å
77D91.3Very high86.8Confident63 Ų6362.3 Ų62.334%0.33732%0.316SS..G310 helixtrans-66.1-14.7168.4-65.5-49.5000112.3L73 Q74 R75 L115 R116L73-D77 WeakPolarHBondContact CA-OD2 3.39Å; L73-D77 HydrophobicContact CD2-CB 4.23Å; Q74-D77 PolarHBondContact N-OD2 3.32Å; Q74-D77 WeakPolarHBondContact O-CB 3.39Å; Q74-D77 PolarHBondContact O-N 3.43Å; R75-D77 VanDerWaalsContact C-N 3.34Å; D77-L115 HydrophobicContact CB-CD1 4.24Å; D77-R116 VanDerWaalsContact O-CB 3.3Å; D77-R116 WeakPolarHBondContact O-CB 3.48Å; D77-R116 VanDerWaalsContact O-CG 3.26Å; D77-R116 WeakPolarHBondContact O-CG 3.44Å; D77-R116 PolarHBondContact O-N 2.66Å
78F93.2Very high85.3Confident7 Ų756.6 Ų56.63%0.03130%0.295CS..EExtended strand (participates in β ladder)trans-109.8128.9-178.4-64.2-89.5000110.9L73 Q74 R75 D76 V113 L115 F122 M124 F163 I172L73-F78 HydrophobicContact CB-CE2 4.36Å; L73-F78 HydrophobicContact CD1-CE2 4.43Å; L73-F78 HydrophobicContact CD1-CZ 4.22Å; L73-F78 HydrophobicContact CD2-CE2 4.06Å; L73-F78 HydrophobicContact CD2-CZ 4.22Å; Q74-F78 WeakPolarHBondContact O-CD2 3.47Å; R75-F78 PolarHBondContact O-N 3.04Å; D76-F78 PolarHBondContact O-N 2.82Å; F78-V113 HydrophobicContact CB-CB 4.1Å; F78-V113 HydrophobicContact CB-CG1 4.4Å; F78-V113 HydrophobicContact CB-CG2 4.36Å; F78-V113 HydrophobicContact CD1-CB 4.17Å; F78-V113 HydrophobicContact CD1-CG2 3.58Å; F78-V113 HydrophobicContact CE1-CG2 4.29Å; F78-V113 HydrophobicContact CG-CG2 4.29Å; F78-L115 HydrophobicContact CD1-CB 4.21Å; F78-L115 HydrophobicContact CD1-CD1 4.27Å; F78-L115 HydrophobicContact CE1-CB 4.01Å; F78-L115 HydrophobicContact CE1-CD1 3.87Å; F78-L115 HydrophobicContact CE1-CG 4.45Å; F78-L115 HydrophobicContact CE2-CD1 4.36Å; F78-L115 HydrophobicContact CZ-CD1 3.92Å; F78-F122 HydrophobicContact CE1-CD2 4.19Å; F78-M124 HydrophobicContact CB-CE 3.61Å; F78-M124 HydrophobicContact CD1-CE 4.17Å; F78-M124 HydrophobicContact CD2-CE 3.59Å; F78-M124 HydrophobicContact CE2-CE 4.3Å; F78-M124 HydrophobicContact CG-CE 3.51Å; F78-F163 HydrophobicContact CD2-CE1 4.21Å; F78-F163 HydrophobicContact CD2-CZ 4.06Å; F78-F163 AromaticContact CE2-CE1 3.48Å; F78-F163 HydrophobicContact CE2-CE1 3.48Å; F78-F163 VanDerWaalsContact CE2-CE1 3.48Å; F78-F163 AromaticContact CE2-CZ 3.76Å; F78-F163 HydrophobicContact CE2-CZ 3.76Å; F78-F163 HydrophobicContact CZ-CE1 4.13Å; F78-I172 HydrophobicContact CE1-CD1 4.11Å; F78-I172 HydrophobicContact CE1-CG1 4.25Å; F78-I172 HydrophobicContact CE1-CG2 3.86Å; F78-I172 HydrophobicContact CE2-CD1 4.28Å; F78-I172 HydrophobicContact CE2-CG1 4.37Å; F78-I172 HydrophobicContact CZ-CD1 3.97Å; F78-I172 HydrophobicContact CZ-CG1 3.83Å; F78-I172 HydrophobicContact CZ-CG2 4.12Å
79E91.1Very high83.1Confident65 Ų6561.2 Ų61.230%0.30431%0.312SS..EExtended strand (participates in β ladder)trans-85.1117.6167.7175.7174.7-120.200108.9L81 V113 R114 R116E79-L81 HydrophobicContact CG-CD2 3.97Å; E79-L81 PolarHBondContact O-N 2.72Å; E79-V113 CarbonylContact O-C 3.53Å; E79-V113 VanDerWaalsContact O-CA 3.22Å; E79-V113 WeakPolarHBondContact O-CA 3.29Å; E79-R114 HydrophobicContact CB-CB 4.26Å; E79-R114 PolarHBondContact N-O 3.07Å; E79-R114 PolarHBondContact O-N 2.82Å; E79-R114 WeakPolarHBondContact OE2-CD 3.26Å; E79-R114 IonicContact OE2-CZ 3.61Å; E79-R114 IonicContact OE2-NE 2.87Å; E79-R114 IonicContact OE2-NH1 3.32Å; E79-R114 PolarHBondContact OE2-NH1 3.39Å; E79-R116 HydrophobicContact CB-CG 4.48Å
80L89.2Confident80.4Confident63 Ų6359.2 Ų59.233%0.3331%0.31SS..EExtended strand (participates in β ladder)trans-75.1118.3177.4-172.273.1000109.6A111 V113 F396L80-A111 HydrophobicContact CD1-CB 3.4Å; L80-V113 HydrophobicContact CD1-CG1 4.05Å; L80-F396 HydrophobicContact CD2-CD2 3.92Å; L80-F396 HydrophobicContact CD2-CE2 4.18Å; L80-F396 HydrophobicContact CD2-CG 4.34Å
81L88.7Confident77.5Confident65 Ų6561.6 Ų61.634%0.3431%0.309SS..EExtended strand (participates in β ladder)trans-97.3-56.5-178.3-59.3-179.2000111.9E79 V112 R114 I121 T384E79-L81 HydrophobicContact CG-CD2 3.97Å; E79-L81 PolarHBondContact O-N 2.72Å; L81-V112 WeakPolarHBondContact CB-O 2.96Å; L81-V112 HydrophobicContact CD1-CG1 4.28Å; L81-V112 PolarHBondContact N-O 3.04Å; L81-R114 HydrophobicContact CD1-CB 4.13Å; L81-R114 HydrophobicContact CG-CB 4.42Å; L81-I121 HydrophobicContact CD1-CD1 4.1Å; L81-T384 HydrophobicContact CD1-CG2 3.45Å; L81-T384 VanDerWaalsContact CD1-CG2 3.45Å
82K87.1Confident74.7Confident83 Ų8359.1 Ų59.136%0.36130%0.299SS..EExtended strand (participates in β ladder)trans-153.2139.3179.4-174.5165.8170.3-170.20110.5I84 A111 V112 T386K82-I84 HydrophobicContact CG-CG2 4.47Å; K82-A111 CarbonylContact O-C 3.53Å; K82-A111 VanDerWaalsContact O-CA 3.25Å; K82-A111 WeakPolarHBondContact O-CA 2.78Å; K82-A111 WeakPolarHBondContact O-CB 3.23Å; K82-V112 PolarHBondContact N-O 2.78Å; K82-V112 PolarHBondContact O-N 3.13Å; K82-T386 HydrophobicContact CB-CG2 4.36Å; K82-T386 HydrophobicContact CD-CG2 3.97Å; K82-T386 WeakPolarHBondContact CD-OG1 3.45Å; K82-T386 WeakPolarHBondContact CE-OG1 3.07Å; K82-T386 HydrophobicContact CG-CG2 4.48Å; K82-T386 PolarHBondContact NZ-OG1 3.05Å
83V85.4Confident71.8Confident27 Ų2764.6 Ų64.616%0.16432%0.32CS..EExtended strand (participates in β ladder)trans-79.6132.5168.9-179.80000107.5R86 V110 A111 V391 F396V83-R86 HydrophobicContact CG1-CG 4.46Å; V83-V110 WeakPolarHBondContact CG1-O 3.21Å; V83-A111 HydrophobicContact CG2-CB 4.26Å; V83-V391 WeakPolarHBondContact O-CG1 3.38Å; V83-F396 HydrophobicContact CG2-CD2 4.08Å
84I85.5Confident68.9Low18 Ų1867.2 Ų67.29%0.09234%0.338CS..EExtended strand (participates in β ladder)trans-121.9-9.7-175.759.2168.4000114.2K82 V110 V112 Y175 T386 V391K82-I84 HydrophobicContact CG-CG2 4.47Å; I84-V110 HydrophobicContact CD1-CG1 3.93Å; I84-V110 HydrophobicContact CG1-CB 4.15Å; I84-V110 HydrophobicContact CG1-CG1 3.8Å; I84-V110 PolarHBondContact N-O 3.2Å; I84-V112 HydrophobicContact CD1-CG2 3.91Å; I84-V112 HydrophobicContact CG1-CG2 4.37Å; I84-V112 HydrophobicContact CG2-CG2 3.78Å; I84-Y175 HydrophobicContact CD1-CD2 4.33Å; I84-Y175 HydrophobicContact CD1-CE2 3.65Å; I84-T386 HydrophobicContact CG2-CG2 3.9Å; I84-V391 HydrophobicContact CB-CG2 4.31Å; I84-V391 HydrophobicContact CG2-CG2 4.12Å
85G75.9Confident66.1Low24 Ų2470 Ų7025%0.24736%0.356CS..EExtended strand (participates in β ladder)trans-162.2156.6178.500000113.5K109 V110G85-K109 CarbonylContact O-C 3.47Å; G85-K109 WeakPolarHBondContact O-CA 3.13Å; G85-V110 PolarHBondContact N-O 3.32Å; G85-V110 PolarHBondContact O-N 3.2Å
86R72.4Confident63.4Low73 Ų7373.8 Ų73.828%0.27538%0.378SS..EExtended strand (participates in β ladder)trans-147.4125.4-174.3-64.6175.9174.4179.4-4.3112.5V83 F108 K109 E392 S394V83-R86 HydrophobicContact CG1-CG 4.46Å; R86-F108 WeakPolarHBondContact CA-O 3.32Å; R86-K109 HydrophobicContact CG-CG 4.46Å; R86-E392 IonicContact CZ-OE2 3.65Å; R86-E392 IonicContact NH1-OE2 2.83Å; R86-E392 PolarHBondContact NH1-OE2 2.85Å; R86-S394 PolarHBondContact NH1-OG 2.65Å; R86-S394 PolarHBondContact NH2-O 2.68Å; R86-S394 PolarHBondContact NH2-OG 2.8Å
87G66.5Low60.4Low3 Ų378.7 Ų78.73%0.03139%0.394CS..SBendtrans-89.5135172.200000113.1F89 F108G87-F89 WeakPolarHBondContact O-CD2 3.49Å; G87-F89 PolarHBondContact O-N 3.38Å; G87-F108 PolarHBondContact N-O 2.98Å
88A56.7Low57.5Low22 Ų2286 Ų8618%0.18242%0.417CS..SBendtrans39.554.6172.500000117.3S104 V107A88-S104 WeakPolarHBondContact CB-OG 3.28Å; A88-S104 PolarHBondContact N-OG 2.91Å; A88-V107 HydrophobicContact CB-CG2 4.33Å
89F43Very low54.4Low115 Ų11590.2 Ų90.250%0.50444%0.443SS..  trans-106.835.4163.4-81.3-77.6000113.2G87 E91 V107G87-F89 WeakPolarHBondContact O-CD2 3.49Å; G87-F89 PolarHBondContact O-N 3.38Å; F89-E91 PolarHBondContact O-N 3Å; F89-V107 HydrophobicContact CD2-CG1 4.2Å; F89-V107 HydrophobicContact CE2-CG1 3.43Å; F89-V107 VanDerWaalsContact CE2-CG1 3.43Å; F89-V107 HydrophobicContact CZ-CG1 3.7Å
90G34.1Very low51.4Low24 Ų2490.3 Ų90.325%0.24745%0.448CS..  trans-96.960.1-177.700000115.8V92G90-V92 PolarHBondContact O-N 3.28Å; G90-V92 VanDerWaalsContact O-N 3.12Å
91E27.5Very low48.6Very low124 Ų12494.6 Ų94.658%0.57946%0.464SS*.  trans-8369.1161.6-162.8-171.7-99.200109.1F89 R93F89-E91 PolarHBondContact O-N 3Å; E91-R93 PolarHBondContact O-N 3.19Å; E91-R93 IonicContact OE2-CZ 3.29Å; E91-R93 IonicContact OE2-NE 3.17Å; E91-R93 PolarHBondContact OE2-NE 2.92Å; E91-R93 IonicContact OE2-NH2 3.4Å; E91-R93 PolarHBondContact OE2-NH2 3.33Å
92V30.7Very low46.3Very low82 Ų8297.5 Ų97.550%0.49747%0.474SS..  trans-63.3105.7178.3177.70000109G90 T94 F102G90-V92 PolarHBondContact O-N 3.28Å; G90-V92 VanDerWaalsContact O-N 3.12Å; V92-T94 VanDerWaalsContact C-N 3.28Å; V92-T94 HydrophobicContact CG1-CG2 4.35Å; V92-T94 PolarHBondContact O-N 2.95Å; V92-T94 VanDerWaalsContact O-N 3.11Å; V92-F102 HydrophobicContact CG2-CE2 4Å
93R28.1Very low44.4Very low157 Ų15795.8 Ų95.859%0.59247%0.469SS*.  trans-86.963.9179-69.8-173.4179.5166.98111.7E91 N95E91-R93 PolarHBondContact O-N 3.19Å; E91-R93 IonicContact OE2-CZ 3.29Å; E91-R93 IonicContact OE2-NE 3.17Å; E91-R93 PolarHBondContact OE2-NE 2.92Å; E91-R93 IonicContact OE2-NH2 3.4Å; E91-R93 PolarHBondContact OE2-NH2 3.33Å; R93-N95 PolarHBondContact O-N 3.14Å
94T30.9Very low42.8Very low97 Ų9796 Ų9660%0.59547%0.472SS*.  trans-59.4135149.242.90000108.1V92V92-T94 VanDerWaalsContact C-N 3.28Å; V92-T94 HydrophobicContact CG1-CG2 4.35Å; V92-T94 PolarHBondContact O-N 2.95Å; V92-T94 VanDerWaalsContact O-N 3.11Å
95N29.1Very low41.5Very low154 Ų15495.3 Ų95.382%0.82447%0.469SS*.SBendtrans-72.3139.9169.5-66.8-62.3000107.7R93R93-N95 PolarHBondContact O-N 3.14Å
96E34.7Very low40.9Very low180 Ų18094.3 Ų94.384%0.84146%0.458SS*.SBendtrans79102.5-176.2-46.3-161.3152.500117.3R98E96-R98 PolarHBondContact O-N 3.48Å
97K28.1Very low40.6Very low206 Ų20691.4 Ų91.490%0.89645%0.448SS*.SBendtrans45.861.9145.4-59.3180179.9171.20119.9
98R30Very low41.1Very low216 Ų21692.5 Ų92.582%0.81545%0.452SS*.  trans-170.4124.2133.4-105.1155.7-179.4-177.4-1.8110E96 V100E96-R98 PolarHBondContact O-N 3.48Å; R98-V100 PolarHBondContact O-N 3.37Å
99T27Very low42.4Very low96 Ų9692.5 Ų92.559%0.58945%0.448SS*.  trans-82.9105.3171-52.60000108.1F101T99-F101 HydrophobicContact CG2-CD2 4.07Å; T99-F101 HydrophobicContact CG2-CE2 3.76Å; T99-F101 HydrophobicContact CG2-CZ 4.16Å; T99-F101 WeakPolarHBondContact O-CD2 3.4Å; T99-F101 PolarHBondContact O-N 3.07Å
100V28.3Very low44.5Very low67 Ų6788.3 Ų88.341%0.40643%0.431SS..  trans-72.6112.3170.9-1790000107.8R98 F102 L306R98-V100 PolarHBondContact O-N 3.37Å; V100-F102 HydrophobicContact CG1-CE2 4.36Å; V100-L306 HydrophobicContact CG1-CD1 4.43Å
101F31.2Very low47.1Very low154 Ų15487.2 Ų87.268%0.67542%0.42SS*.  trans-89.1107.6172.2-78.7-92.9000108.9T99 L103T99-F101 HydrophobicContact CG2-CD2 4.07Å; T99-F101 HydrophobicContact CG2-CE2 3.76Å; T99-F101 HydrophobicContact CG2-CZ 4.16Å; T99-F101 WeakPolarHBondContact O-CD2 3.4Å; T99-F101 PolarHBondContact O-N 3.07Å; F101-L103 PolarHBondContact O-N 3.16Å
102F39.4Very low50.2Low125 Ų12581.3 Ų81.355%0.54839%0.392SS..  trans-64.6120.1164.3-70.5-95.5000108.9V92 V100 S104V92-F102 HydrophobicContact CG2-CE2 4Å; V100-F102 HydrophobicContact CG1-CE2 4.36Å; F102-S104 PolarHBondContact O-N 3.49Å
103L48.4Very low53.2Low47 Ų4777.4 Ų77.425%0.24637%0.369CS..  trans-80.334.9-168.7-64.8175.3000114.3F101 A105 A256 Y310F101-L103 PolarHBondContact O-N 3.16Å; L103-A105 PolarHBondContact O-N 3.36Å; L103-A256 HydrophobicContact CD1-CB 3.88Å; L103-A256 HydrophobicContact CD2-CB 4.09Å; L103-Y310 WeakPolarHBondContact CD1-OH 3.3Å
104S51.4Low56.4Low32 Ų3274 Ų7422%0.22436%0.356CS..  trans-72.8125.3175.793.60000110.8A88 F102 Q106 R135A88-S104 WeakPolarHBondContact CB-OG 3.28Å; A88-S104 PolarHBondContact N-OG 2.91Å; F102-S104 PolarHBondContact O-N 3.49Å; S104-Q106 PolarHBondContact O-N 2.97Å; S104-Q106 VanDerWaalsContact O-N 3.17Å; S104-Q106 PolarHBondContact OG-O 3.27Å; S104-R135 PolarHBondContact O-NH1 3.23Å
105A57.6Low59.3Low3 Ų370.2 Ų70.23%0.02533%0.332CS..SBendtrans-58.7-29.7-174.300000113.3L103 T138 S241 V257L103-A105 PolarHBondContact O-N 3.36Å; A105-T138 WeakPolarHBondContact CB-O 3.45Å; A105-T138 WeakPolarHBondContact O-CB 3.33Å; A105-T138 PolarHBondContact O-OG1 3Å; A105-S241 WeakPolarHBondContact CB-OG 3.04Å; A105-V257 HydrophobicContact CB-CB 4.45Å; A105-V257 HydrophobicContact CB-CG1 3.96Å
106Q63.4Low62.2Low4 Ų468.3 Ų68.32%0.01931%0.314CS..SBendtrans-130.7153-177.1-57.6-172.526.100112.5S104 F108 M132 A139 C140 E144 G240S104-Q106 PolarHBondContact O-N 2.97Å; S104-Q106 VanDerWaalsContact O-N 3.17Å; S104-Q106 PolarHBondContact OG-O 3.27Å; Q106-F108 HydrophobicContact CB-CD1 4.38Å; Q106-M132 HydrophobicContact CB-CE 4.43Å; Q106-M132 HydrophobicContact CG-CE 4.12Å; Q106-A139 HydrophobicContact CG-CB 4.49Å; Q106-C140 PolarHBondContact NE2-O 2.84Å; Q106-E144 PolarHBondContact NE2-OE2 3.29Å; Q106-E144 PolarHBondContact OE1-OE2 3.4Å; Q106-G240 PolarHBondContact NE2-O 3.13Å
107V66.8Low64.5Low12 Ų1268.1 Ų68.17%0.07332%0.318CS..  trans-96.6114170-177.90000108.8A88 F89 E131A88-V107 HydrophobicContact CB-CG2 4.33Å; F89-V107 HydrophobicContact CD2-CG1 4.2Å; F89-V107 HydrophobicContact CE2-CG1 3.43Å; F89-V107 VanDerWaalsContact CE2-CG1 3.43Å; F89-V107 HydrophobicContact CZ-CG1 3.7Å; V107-E131 HydrophobicContact CB-CB 4.19Å; V107-E131 HydrophobicContact CB-CG 4.38Å; V107-E131 HydrophobicContact CG2-CB 4.22Å; V107-E131 HydrophobicContact CG2-CG 4.28Å
108F76.9Confident67.3Low25 Ų2562 Ų6211%0.1130%0.298CS..EExtended strand (participates in β ladder)trans-141.3165.1-173.567.4-103.9000113R86 G87 Q106 V110 K125 I126 L127 D238R86-F108 WeakPolarHBondContact CA-O 3.32Å; G87-F108 PolarHBondContact N-O 2.98Å; Q106-F108 HydrophobicContact CB-CD1 4.38Å; F108-V110 HydrophobicContact CD2-CG2 3.91Å; F108-V110 HydrophobicContact CE2-CG2 3.86Å; F108-K125 HydrophobicContact CB-CG 4.08Å; F108-K125 HydrophobicContact CD2-CG 4.24Å; F108-K125 HydrophobicContact CG-CG 4.31Å; F108-I126 VanDerWaalsContact CA-O 3.31Å; F108-I126 WeakPolarHBondContact CA-O 3.43Å; F108-L127 HydrophobicContact CB-CD2 3.48Å; F108-L127 VanDerWaalsContact CB-CD2 3.48Å; F108-D238 WeakPolarHBondContact CE1-OD2 3.42Å; F108-D238 WeakPolarHBondContact CZ-OD2 3.19Å
109K83.7Confident69.7Low22 Ų2253.8 Ų53.810%0.09628%0.281CS..EExtended strand (participates in β ladder)trans-132.1129.4161.6-59.7-169.6-178.2-173.50109.2G85 R86 K125 I126 F396 M397G85-K109 CarbonylContact O-C 3.47Å; G85-K109 WeakPolarHBondContact O-CA 3.13Å; R86-K109 HydrophobicContact CG-CG 4.46Å; K109-K125 WeakPolarHBondContact O-CA 3.02Å; K109-I126 PolarHBondContact N-O 2.96Å; K109-I126 PolarHBondContact O-N 3.34Å; K109-F396 HydrophobicContact CD-CE2 4.41Å; K109-M397 PolarHBondContact NZ-O 2.62Å
110V86.6Confident72.7Confident27 Ų2755.3 Ų55.316%0.16428%0.279CS..EExtended strand (participates in β ladder)trans-96.1133.4169.5-173.60000108.2V83 I84 G85 F108 A123 M124 K125V83-V110 WeakPolarHBondContact CG1-O 3.21Å; I84-V110 HydrophobicContact CD1-CG1 3.93Å; I84-V110 HydrophobicContact CG1-CB 4.15Å; I84-V110 HydrophobicContact CG1-CG1 3.8Å; I84-V110 PolarHBondContact N-O 3.2Å; G85-V110 PolarHBondContact N-O 3.32Å; G85-V110 PolarHBondContact O-N 3.2Å; F108-V110 HydrophobicContact CD2-CG2 3.91Å; F108-V110 HydrophobicContact CE2-CG2 3.86Å; V110-A123 HydrophobicContact CG1-CB 4.31Å; V110-M124 WeakPolarHBondContact CA-O 3.17Å; V110-K125 HydrophobicContact CG2-CB 4.29Å; V110-K125 HydrophobicContact CG2-CG 4.05Å
111A89.8Confident75.9Confident1 Ų153.4 Ų53.41%0.00827%0.267CS..EExtended strand (participates in β ladder)trans-140.1142.4176.200000112.1L80 K82 V83 V113 M124L80-A111 HydrophobicContact CD1-CB 3.4Å; K82-A111 CarbonylContact O-C 3.53Å; K82-A111 VanDerWaalsContact O-CA 3.25Å; K82-A111 WeakPolarHBondContact O-CA 2.78Å; K82-A111 WeakPolarHBondContact O-CB 3.23Å; V83-A111 HydrophobicContact CG2-CB 4.26Å; A111-V113 PolarHBondContact O-N 3.41Å; A111-M124 PolarHBondContact N-O 2.96Å; A111-M124 PolarHBondContact O-N 3.23Å
112V92.8Very high78.9Confident0 Ų046.2 Ų46.20%024%0.235CC..EExtended strand (participates in β ladder)trans-71.4125.6168.9-174.50000108.1L81 K82 I84 I121 Y175 T386L81-V112 WeakPolarHBondContact CB-O 2.96Å; L81-V112 HydrophobicContact CD1-CG1 4.28Å; L81-V112 PolarHBondContact N-O 3.04Å; K82-V112 PolarHBondContact N-O 2.78Å; K82-V112 PolarHBondContact O-N 3.13Å; I84-V112 HydrophobicContact CD1-CG2 3.91Å; I84-V112 HydrophobicContact CG1-CG2 4.37Å; I84-V112 HydrophobicContact CG2-CG2 3.78Å; V112-I121 HydrophobicContact CG1-CG2 3.42Å; V112-I121 VanDerWaalsContact CG1-CG2 3.42Å; V112-Y175 HydrophobicContact CG1-CD1 4.1Å; V112-Y175 HydrophobicContact CG1-CE1 4.16Å; V112-Y175 HydrophobicContact CG1-CG 4.44Å; V112-Y175 HydrophobicContact CG2-CD1 4.33Å; V112-Y175 HydrophobicContact CG2-CD2 4Å; V112-Y175 HydrophobicContact CG2-CE1 3.9Å; V112-Y175 HydrophobicContact CG2-CE2 3.59Å; V112-Y175 HydrophobicContact CG2-CG 4.38Å; V112-T386 HydrophobicContact CG2-CG2 3.98Å
113V93.5Very high81.6Confident1 Ų140.7 Ų40.71%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-128.6147.2-179.5-62.90000111.5F78 E79 L80 A111 I121 F122 M124F78-V113 HydrophobicContact CB-CB 4.1Å; F78-V113 HydrophobicContact CB-CG1 4.4Å; F78-V113 HydrophobicContact CB-CG2 4.36Å; F78-V113 HydrophobicContact CD1-CB 4.17Å; F78-V113 HydrophobicContact CD1-CG2 3.58Å; F78-V113 HydrophobicContact CE1-CG2 4.29Å; F78-V113 HydrophobicContact CG-CG2 4.29Å; E79-V113 CarbonylContact O-C 3.53Å; E79-V113 VanDerWaalsContact O-CA 3.22Å; E79-V113 WeakPolarHBondContact O-CA 3.29Å; L80-V113 HydrophobicContact CD1-CG1 4.05Å; A111-V113 PolarHBondContact O-N 3.41Å; V113-I121 CarbonylContact O-C 3.59Å; V113-I121 WeakPolarHBondContact O-CA 3.45Å; V113-F122 HydrophobicContact CG2-CB 4.01Å; V113-F122 WeakPolarHBondContact CG2-O 3.13Å; V113-F122 PolarHBondContact N-O 3.26Å; V113-F122 PolarHBondContact O-N 3.41Å; V113-M124 HydrophobicContact CB-CB 4.45Å; V113-M124 HydrophobicContact CG1-CB 3.72Å; V113-M124 HydrophobicContact CG1-CE 4.27Å; V113-M124 HydrophobicContact CG1-CG 4.49Å; V113-M124 HydrophobicContact CG1-SD 4.05Å; V113-M124 HydrophobicContact CG2-CB 3.79Å; V113-M124 HydrophobicContact CG2-CE 4.5Å
114R94.3Very high83.8Confident85 Ų8538.6 Ų38.632%0.32120%0.202SC..EExtended strand (participates in β ladder)trans-102.5122.6168.4-179.1-176.1-62.7135.4-4.8109.6E79 L81 R116 K120 I121E79-R114 HydrophobicContact CB-CB 4.26Å; E79-R114 PolarHBondContact N-O 3.07Å; E79-R114 PolarHBondContact O-N 2.82Å; E79-R114 WeakPolarHBondContact OE2-CD 3.26Å; E79-R114 IonicContact OE2-CZ 3.61Å; E79-R114 IonicContact OE2-NE 2.87Å; E79-R114 IonicContact OE2-NH1 3.32Å; E79-R114 PolarHBondContact OE2-NH1 3.39Å; L81-R114 HydrophobicContact CD1-CB 4.13Å; L81-R114 HydrophobicContact CG-CB 4.42Å; R114-R116 PolarHBondContact O-N 2.73Å; R114-K120 CarbonylContact C-O 3.43Å; R114-K120 WeakPolarHBondContact CA-O 3.35Å; R114-I121 HydrophobicContact CB-CD1 3.69Å; R114-I121 HydrophobicContact CG-CD1 3.85Å
115L92.7Very high85.7Confident18 Ų1837.3 Ų37.39%0.09419%0.192CC..EExtended strand (participates in β ladder)trans-69.3115.4171.2175.162.5000108.9L73 D77 F78 T118 G119 K120 F122L73-L115 HydrophobicContact CD2-CD1 4.19Å; D77-L115 HydrophobicContact CB-CD1 4.24Å; F78-L115 HydrophobicContact CD1-CB 4.21Å; F78-L115 HydrophobicContact CD1-CD1 4.27Å; F78-L115 HydrophobicContact CE1-CB 4.01Å; F78-L115 HydrophobicContact CE1-CD1 3.87Å; F78-L115 HydrophobicContact CE1-CG 4.45Å; F78-L115 HydrophobicContact CE2-CD1 4.36Å; F78-L115 HydrophobicContact CZ-CD1 3.92Å; L115-T118 WeakPolarHBondContact CB-OG1 3.48Å; L115-T118 HydrophobicContact CD2-CG2 3.81Å; L115-T118 HydrophobicContact CG-CG2 3.98Å; L115-T118 WeakPolarHBondContact CG-OG1 3.15Å; L115-T118 PolarHBondContact O-N 2.68Å; L115-T118 PolarHBondContact O-OG1 3.38Å; L115-G119 PolarHBondContact O-N 2.67Å; L115-K120 PolarHBondContact N-O 2.64Å; L115-F122 HydrophobicContact CB-CD2 4.05Å; L115-F122 HydrophobicContact CB-CE2 3.72Å; L115-F122 HydrophobicContact CD2-CE2 3.92Å; L115-F122 HydrophobicContact CG-CE2 4.48Å
116R89.1Confident87.3Confident114 Ų11438.1 Ų38.143%0.4320%0.196SC..THydrogen-bonded Turntrans-54.7150.7-176.6-68.6-178.1-167.3-70.9-4.7111D76 D77 E79 R114 T118D76-R116 WeakPolarHBondContact O-CD 3.5Å; D76-R116 PolarHBondContact O-NE 3.29Å; D77-R116 VanDerWaalsContact O-CB 3.3Å; D77-R116 WeakPolarHBondContact O-CB 3.48Å; D77-R116 VanDerWaalsContact O-CG 3.26Å; D77-R116 WeakPolarHBondContact O-CG 3.44Å; D77-R116 PolarHBondContact O-N 2.66Å; E79-R116 HydrophobicContact CB-CG 4.48Å; R114-R116 PolarHBondContact O-N 2.73Å; R116-T118 PolarHBondContact O-N 2.7Å
117N82.9Confident88.6Confident176 Ų17637.9 Ų37.994%0.94120%0.195SC*.THydrogen-bonded Turntrans62.9-15.9-178-45.3-39.1000115.9
118T86.9Confident89.5Confident76 Ų7637.8 Ų37.847%0.46619%0.194SC..THydrogen-bonded Turntrans-102.6-26177.674.10000113.9L115 R116 K120L115-T118 WeakPolarHBondContact CB-OG1 3.48Å; L115-T118 HydrophobicContact CD2-CG2 3.81Å; L115-T118 HydrophobicContact CG-CG2 3.98Å; L115-T118 WeakPolarHBondContact CG-OG1 3.15Å; L115-T118 PolarHBondContact O-N 2.68Å; L115-T118 PolarHBondContact O-OG1 3.38Å; R116-T118 PolarHBondContact O-N 2.7Å; T118-K120 PolarHBondContact O-N 2.73Å; T118-K120 PolarHBondContact OG1-N 3.43Å
119G80.7Confident90.1Very high45 Ų4536.7 Ų36.746%0.46419%0.189SC..  trans73-6.7-174.100000115L115L115-G119 PolarHBondContact O-N 2.67Å
120K91.2Very high90.2Very high127 Ų12736 Ų3655%0.55219%0.186SC*.  trans-64.8139.9178.6-67.5-170.7175.1-169.20111.3R114 L115 T118 F122R114-K120 CarbonylContact C-O 3.43Å; R114-K120 WeakPolarHBondContact CA-O 3.35Å; L115-K120 PolarHBondContact N-O 2.64Å; T118-K120 PolarHBondContact O-N 2.73Å; T118-K120 PolarHBondContact OG1-N 3.43Å; K120-F122 HydrophobicContact CB-CD2 4.41Å; K120-F122 HydrophobicContact CB-CE2 3.58Å; K120-F122 HydrophobicContact CB-CZ 3.87Å; K120-F122 HydrophobicContact CD-CE2 4.5Å; K120-F122 HydrophobicContact CD-CZ 4.04Å
121I93.9Very high89.9Confident27 Ų2735.5 Ų35.514%0.13818%0.182CC..EExtended strand (participates in β ladder)trans-102.9141178.7-49-55.5000109.7L81 V112 V113 R114 Y175 P383 T384L81-I121 HydrophobicContact CD1-CD1 4.1Å; V112-I121 HydrophobicContact CG1-CG2 3.42Å; V112-I121 VanDerWaalsContact CG1-CG2 3.42Å; V113-I121 CarbonylContact O-C 3.59Å; V113-I121 WeakPolarHBondContact O-CA 3.45Å; R114-I121 HydrophobicContact CB-CD1 3.69Å; R114-I121 HydrophobicContact CG-CD1 3.85Å; I121-Y175 HydrophobicContact CG2-CD1 4.06Å; I121-Y175 HydrophobicContact CG2-CG 4.44Å; I121-P383 HydrophobicContact CG1-CB 4.12Å; I121-P383 WeakPolarHBondContact CG2-O 3.39Å; I121-T384 HydrophobicContact CD1-CG2 3.43Å; I121-T384 VanDerWaalsContact CD1-CG2 3.43Å; I121-T384 HydrophobicContact CG1-CG2 3.64Å; I121-T384 HydrophobicContact CG2-CG2 4.28Å
122F95.4Very high89.4Confident4 Ų435.8 Ų35.82%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-142.7158.7-179.3-61.2-78.6000110.7F78 V113 L115 K120 H160 Y161 I172 M173F78-F122 HydrophobicContact CE1-CD2 4.19Å; V113-F122 HydrophobicContact CG2-CB 4.01Å; V113-F122 WeakPolarHBondContact CG2-O 3.13Å; V113-F122 PolarHBondContact N-O 3.26Å; V113-F122 PolarHBondContact O-N 3.41Å; L115-F122 HydrophobicContact CB-CD2 4.05Å; L115-F122 HydrophobicContact CB-CE2 3.72Å; L115-F122 HydrophobicContact CD2-CE2 3.92Å; L115-F122 HydrophobicContact CG-CE2 4.48Å; K120-F122 HydrophobicContact CB-CD2 4.41Å; K120-F122 HydrophobicContact CB-CE2 3.58Å; K120-F122 HydrophobicContact CB-CZ 3.87Å; K120-F122 HydrophobicContact CD-CE2 4.5Å; K120-F122 HydrophobicContact CD-CZ 4.04Å; F122-H160 AromaticContact CD1-CD2 3.99Å; F122-H160 HydrophobicContact CE1-CB 4.11Å; F122-H160 AromaticContact CE1-CD2 3.73Å; F122-H160 AromaticContact CE1-CE1 3.98Å; F122-H160 AromaticContact CE1-CG 3.63Å; F122-H160 AromaticContact CE1-ND1 3.8Å; F122-H160 AromaticContact CE1-NE2 3.94Å; F122-Y161 HydrophobicContact CZ-CE2 4.24Å; F122-I172 HydrophobicContact CB-CG2 3.47Å; F122-I172 VanDerWaalsContact CB-CG2 3.47Å; F122-I172 HydrophobicContact CD1-CG2 3.9Å; F122-I172 HydrophobicContact CD2-CG2 4.06Å; F122-I172 HydrophobicContact CG-CG2 3.55Å; F122-M173 CarbonylContact C-O 3.59Å; F122-M173 WeakPolarHBondContact CA-O 2.79Å; F122-M173 WeakPolarHBondContact CB-O 3.4Å
123A94.9Very high88.9Confident9 Ų938 Ų387%0.07419%0.194CC..EExtended strand (participates in β ladder)trans-90119.7164.400000109.5V110 I172 M173 Y175V110-A123 HydrophobicContact CG1-CB 4.31Å; A123-I172 WeakPolarHBondContact O-CA 3.2Å; A123-M173 PolarHBondContact N-O 2.61Å; A123-M173 PolarHBondContact O-N 2.73Å; A123-Y175 HydrophobicContact CB-CD2 4.29Å
124M94.5Very high88Confident3 Ų344.4 Ų44.42%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-101107.6174.4176.8-173.9-82.400109.8F78 V110 A111 V113 I126 F163 Y170 L171 I172F78-M124 HydrophobicContact CB-CE 3.61Å; F78-M124 HydrophobicContact CD1-CE 4.17Å; F78-M124 HydrophobicContact CD2-CE 3.59Å; F78-M124 HydrophobicContact CE2-CE 4.3Å; F78-M124 HydrophobicContact CG-CE 3.51Å; V110-M124 WeakPolarHBondContact CA-O 3.17Å; A111-M124 PolarHBondContact N-O 2.96Å; A111-M124 PolarHBondContact O-N 3.23Å; V113-M124 HydrophobicContact CB-CB 4.45Å; V113-M124 HydrophobicContact CG1-CB 3.72Å; V113-M124 HydrophobicContact CG1-CE 4.27Å; V113-M124 HydrophobicContact CG1-CG 4.49Å; V113-M124 HydrophobicContact CG1-SD 4.05Å; V113-M124 HydrophobicContact CG2-CB 3.79Å; V113-M124 HydrophobicContact CG2-CE 4.5Å; M124-I126 HydrophobicContact CG-CD1 4.36Å; M124-I126 HydrophobicContact CG-CG1 3.71Å; M124-I126 HydrophobicContact SD-CD1 3.83Å; M124-I126 HydrophobicContact SD-CG1 3.77Å; M124-F163 HydrophobicContact CE-CZ 4.26Å; M124-Y170 HydrophobicContact CE-CD1 4.04Å; M124-Y170 HydrophobicContact CG-CD1 4Å; M124-Y170 HydrophobicContact SD-CD1 3.67Å; M124-Y170 HydrophobicContact SD-CE1 4.02Å; M124-L171 CarbonylContact C-O 3.51Å; M124-L171 WeakPolarHBondContact CA-O 3.42Å; M124-I172 HydrophobicContact CB-CD1 3.79Å; M124-I172 HydrophobicContact CE-CD1 3.53Å; M124-I172 HydrophobicContact CG-CD1 3.65Å; M124-I172 HydrophobicContact SD-CD1 4.45Å
125K93.2Very high87Confident5 Ų543.9 Ų43.92%0.02222%0.22CC..EExtended strand (participates in β ladder)trans-84.6115.1165.7-166.1-174.7-166.6-166.50108.5F108 K109 V110 L127 E144 Y170 L171 M173 D238F108-K125 HydrophobicContact CB-CG 4.08Å; F108-K125 HydrophobicContact CD2-CG 4.24Å; F108-K125 HydrophobicContact CG-CG 4.31Å; K109-K125 WeakPolarHBondContact O-CA 3.02Å; V110-K125 HydrophobicContact CG2-CB 4.29Å; V110-K125 HydrophobicContact CG2-CG 4.05Å; K125-L127 HydrophobicContact CD-CD2 4.19Å; K125-L127 HydrophobicContact CG-CD2 4.21Å; K125-L127 HydrophobicContact CG-CG 4.44Å; K125-E144 VanDerWaalsContact CD-OE1 3.3Å; K125-E144 WeakPolarHBondContact CD-OE1 2.96Å; K125-E144 IonicContact NZ-OE1 4Å; K125-E144 PolarHBondContact NZ-OE1 2.63Å; K125-E144 IonicContact NZ-OE2 2.82Å; K125-E144 PolarHBondContact NZ-OE2 2.69Å; K125-Y170 WeakPolarHBondContact O-CA 3.49Å; K125-L171 HydrophobicContact CB-CB 4.24Å; K125-L171 HydrophobicContact CD-CD1 4.27Å; K125-L171 PolarHBondContact N-O 2.94Å; K125-L171 PolarHBondContact O-N 3.19Å; K125-M173 HydrophobicContact CB-CE 3.9Å; K125-D238 IonicContact NZ-OD1 3.26Å; K125-D238 PolarHBondContact NZ-OD1 2.82Å; K125-D238 IonicContact NZ-OD2 3.64Å
126I91.1Very high86Confident19 Ų1946.1 Ų46.110%0.09724%0.241CC..EExtended strand (participates in β ladder)trans-99.1116.5178.9-50.1177.7000108.4F108 K109 M124 N168 Y170 F396F108-I126 VanDerWaalsContact CA-O 3.31Å; F108-I126 WeakPolarHBondContact CA-O 3.43Å; K109-I126 PolarHBondContact N-O 2.96Å; K109-I126 PolarHBondContact O-N 3.34Å; M124-I126 HydrophobicContact CG-CD1 4.36Å; M124-I126 HydrophobicContact CG-CG1 3.71Å; M124-I126 HydrophobicContact SD-CD1 3.83Å; M124-I126 HydrophobicContact SD-CG1 3.77Å; I126-N168 HydrophobicContact CG2-CB 3.96Å; I126-Y170 HydrophobicContact CB-CE1 4.44Å; I126-Y170 HydrophobicContact CD1-CE1 4.26Å; I126-Y170 HydrophobicContact CG1-CD1 4.03Å; I126-Y170 HydrophobicContact CG1-CE1 3.98Å; I126-Y170 HydrophobicContact CG2-CD1 4.32Å; I126-Y170 HydrophobicContact CG2-CE1 3.83Å; I126-F396 HydrophobicContact CD1-CE2 4.22Å; I126-F396 HydrophobicContact CD1-CZ 4.27Å
127L89.1Confident84.8Confident0 Ų047.2 Ų47.20%026%0.256CS..EExtended strand (participates in β ladder)trans-111.3122-177.5-60.7170.3000109.9F108 K125 K129 M132 N168 L169 L171F108-L127 HydrophobicContact CB-CD2 3.48Å; F108-L127 VanDerWaalsContact CB-CD2 3.48Å; K125-L127 HydrophobicContact CD-CD2 4.19Å; K125-L127 HydrophobicContact CG-CD2 4.21Å; K125-L127 HydrophobicContact CG-CG 4.44Å; L127-K129 PolarHBondContact O-N 2.87Å; L127-M132 HydrophobicContact CB-CE 3.94Å; L127-M132 HydrophobicContact CB-SD 3.8Å; L127-M132 HydrophobicContact CD1-CE 4.03Å; L127-M132 HydrophobicContact CD1-SD 4.47Å; L127-M132 HydrophobicContact CD2-CE 4.08Å; L127-M132 HydrophobicContact CG-CE 4.24Å; L127-N168 CarbonylContact O-C 3.51Å; L127-N168 WeakPolarHBondContact O-CA 3.45Å; L127-N168 WeakPolarHBondContact O-CB 3.38Å; L127-L169 HydrophobicContact CB-CB 4.07Å; L127-L169 HydrophobicContact CD1-CB 4.37Å; L127-L169 HydrophobicContact CD1-CD1 4.47Å; L127-L169 PolarHBondContact N-O 3.07Å; L127-L169 PolarHBondContact O-N 2.81Å; L127-L171 HydrophobicContact CD1-CD1 4.03Å
128N86.3Confident84Confident9 Ų939.9 Ų39.95%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-79.6109.3-178.6-174.6-94.2000111.2W130 E131 M132 K167 N168 C399N128-W130 PolarHBondContact O-N 3.4Å; N128-W130 WeakPolarHBondContact OD1-CB 3.22Å; N128-W130 PolarHBondContact OD1-N 3.15Å; N128-E131 HydrophobicContact CB-CB 4.44Å; N128-E131 PolarHBondContact O-N 2.91Å; N128-E131 PolarHBondContact OD1-N 3.28Å; N128-E131 VanDerWaalsContact OD1-N 3.17Å; N128-M132 WeakPolarHBondContact O-CG 3.28Å; N128-M132 PolarHBondContact O-N 3.15Å; N128-M132 VanDerWaalsContact O-N 3.13Å; N128-K167 PolarHBondContact ND2-O 2.96Å; N128-N168 PolarHBondContact ND2-OD1 3.27Å; N128-C399 HydrophobicContact CB-CB 4.41Å
129K89.1Confident83.1Confident3 Ų336.7 Ų36.71%0.01320%0.199CC..Hα-helixtrans-46.1-38.8-176.8-77.1-179.9164.9-177.40112.7L127 M132 L133 D165 K167 N168 L169 F417L127-K129 PolarHBondContact O-N 2.87Å; K129-M132 PolarHBondContact O-N 3.18Å; K129-L133 WeakPolarHBondContact O-CG 3.42Å; K129-L133 PolarHBondContact O-N 3.06Å; K129-L133 VanDerWaalsContact O-N 3.16Å; K129-D165 WeakPolarHBondContact CE-O 3.44Å; K129-D165 PolarHBondContact NZ-O 3.07Å; K129-K167 WeakPolarHBondContact CB-O 3.48Å; K129-K167 PolarHBondContact N-O 3.22Å; K129-N168 WeakPolarHBondContact CE-O 3.18Å; K129-L169 HydrophobicContact CD-CD2 4.27Å; K129-L169 HydrophobicContact CG-CD2 3.95Å; K129-L169 HydrophobicContact CG-CG 4Å; K129-F417 HydrophobicContact CB-CE1 4.38Å; K129-F417 HydrophobicContact CB-CE2 3.65Å; K129-F417 HydrophobicContact CB-CZ 3.57Å; K129-F417 HydrophobicContact CD-CD2 3.65Å; K129-F417 HydrophobicContact CD-CE2 3.61Å; K129-F417 HydrophobicContact CD-CG 4.35Å; K129-F417 HydrophobicContact CD-CZ 4.24Å; K129-F417 HydrophobicContact CG-CD1 4.46Å; K129-F417 HydrophobicContact CG-CD2 3.93Å; K129-F417 HydrophobicContact CG-CE1 4.11Å; K129-F417 HydrophobicContact CG-CE2 3.55Å; K129-F417 HydrophobicContact CG-CG 4.39Å; K129-F417 HydrophobicContact CG-CZ 3.65Å
130W86.6Confident83.2Confident7 Ų735 Ų353%0.02718%0.179CC..Hα-helixtrans-80.2-31.7-173.2-46.5132.5000113.7N128 L133 K134 E166 T401 P403 H413 H414N128-W130 PolarHBondContact O-N 3.4Å; N128-W130 WeakPolarHBondContact OD1-CB 3.22Å; N128-W130 PolarHBondContact OD1-N 3.15Å; W130-L133 HydrophobicContact CE3-CD1 4.14Å; W130-L133 HydrophobicContact CZ3-CD1 4.16Å; W130-K134 VanDerWaalsContact O-CB 3.3Å; W130-K134 WeakPolarHBondContact O-CB 3.05Å; W130-K134 PolarHBondContact O-N 2.94Å; W130-E166 VanDerWaalsContact CZ2-O 3.26Å; W130-E166 WeakPolarHBondContact CZ2-O 3.39Å; W130-T401 HydrophobicContact CB-CG2 3.74Å; W130-P403 HydrophobicContact CD2-CB 3.81Å; W130-P403 HydrophobicContact CE3-CB 3.9Å; W130-P403 HydrophobicContact CG-CB 4.48Å; W130-P403 HydrophobicContact CH2-CB 3.86Å; W130-P403 HydrophobicContact CZ2-CB 3.79Å; W130-P403 HydrophobicContact CZ2-CG 4.33Å; W130-P403 HydrophobicContact CZ3-CB 3.93Å; W130-H413 HydrophobicContact CH2-CB 4.05Å; W130-H413 HydrophobicContact CZ3-CB 3.96Å; W130-H414 AromaticContact CH2-CE1 3.32Å; W130-H414 WeakPolarHBondContact CH2-CE1 3.18Å; W130-H414 AromaticContact CH2-ND1 3.88Å; W130-H414 AromaticContact CZ2-CE1 3.85Å
131E79.3Confident82.9Confident17 Ų1729.8 Ų29.88%0.07916%0.157CC..Hα-helixtrans-68.8-34.5165.6-77.9-61.4135.200111.5V107 N128 K134 R135 T401V107-E131 HydrophobicContact CB-CB 4.19Å; V107-E131 HydrophobicContact CB-CG 4.38Å; V107-E131 HydrophobicContact CG2-CB 4.22Å; V107-E131 HydrophobicContact CG2-CG 4.28Å; N128-E131 HydrophobicContact CB-CB 4.44Å; N128-E131 PolarHBondContact O-N 2.91Å; N128-E131 PolarHBondContact OD1-N 3.28Å; N128-E131 VanDerWaalsContact OD1-N 3.17Å; E131-K134 CarbonylContact O-C 3.52Å; E131-K134 PolarHBondContact O-N 3.19Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E131-K134 IonicContact OE1-NZ 4Å; E131-K134 PolarHBondContact OE1-NZ 3.19Å; E131-K134 IonicContact OE2-NZ 3.65Å; E131-K134 PolarHBondContact OE2-NZ 3.44Å; E131-R135 PolarHBondContact O-N 2.88Å; E131-R135 IonicContact OE2-NE 4Å; E131-T401 HydrophobicContact CG-CG2 3.94Å; E131-T401 WeakPolarHBondContact OE1-CB 3.4Å; E131-T401 WeakPolarHBondContact OE1-CG2 3.37Å; E131-T401 PolarHBondContact OE1-OG1 3.07Å
132M80.4Confident82.6Confident6 Ų633.2 Ų33.23%0.0317%0.171CC..Hα-helixtrans-62-48.2177.7-37.3-155.886.300111.6Q106 L127 N128 K129 K134 R135 A136 A139 F141 L169 F417Q106-M132 HydrophobicContact CB-CE 4.43Å; Q106-M132 HydrophobicContact CG-CE 4.12Å; L127-M132 HydrophobicContact CB-CE 3.94Å; L127-M132 HydrophobicContact CB-SD 3.8Å; L127-M132 HydrophobicContact CD1-CE 4.03Å; L127-M132 HydrophobicContact CD1-SD 4.47Å; L127-M132 HydrophobicContact CD2-CE 4.08Å; L127-M132 HydrophobicContact CG-CE 4.24Å; N128-M132 WeakPolarHBondContact O-CG 3.28Å; N128-M132 PolarHBondContact O-N 3.15Å; N128-M132 VanDerWaalsContact O-N 3.13Å; K129-M132 PolarHBondContact O-N 3.18Å; M132-K134 PolarHBondContact O-N 2.63Å; M132-R135 CarbonylContact O-C 3.55Å; M132-R135 VanDerWaalsContact O-C 3.22Å; M132-R135 PolarHBondContact O-N 3.22Å; M132-A136 WeakPolarHBondContact O-CA 3.42Å; M132-A136 PolarHBondContact O-N 2.81Å; M132-A139 HydrophobicContact CB-CB 4.02Å; M132-A139 HydrophobicContact CE-CB 4.47Å; M132-F141 HydrophobicContact CB-CD1 4.22Å; M132-F141 HydrophobicContact CB-CE1 4.47Å; M132-F141 HydrophobicContact CE-CB 3.5Å; M132-F141 HydrophobicContact CE-CD1 4.03Å; M132-F141 HydrophobicContact CE-CG 4.05Å; M132-F141 HydrophobicContact SD-CB 4.04Å; M132-F141 HydrophobicContact SD-CD1 3.95Å; M132-F141 HydrophobicContact SD-CG 4.02Å; M132-L169 HydrophobicContact SD-CD1 3.55Å; M132-L169 VanDerWaalsContact SD-CD1 3.55Å; M132-L169 HydrophobicContact SD-CG 4.31Å; M132-F417 HydrophobicContact SD-CE1 4.5Å
133L81.5Confident82.3Confident47 Ų4735.4 Ų35.425%0.24618%0.181CC..Hα-helixtrans-67.3-21176.6-59-176.4000113.4K129 W130 P404 P416 F417K129-L133 WeakPolarHBondContact O-CG 3.42Å; K129-L133 PolarHBondContact O-N 3.06Å; K129-L133 VanDerWaalsContact O-N 3.16Å; W130-L133 HydrophobicContact CE3-CD1 4.14Å; W130-L133 HydrophobicContact CZ3-CD1 4.16Å; L133-P404 HydrophobicContact CB-CG 4.13Å; L133-P404 HydrophobicContact CD1-CG 4.03Å; L133-P416 HydrophobicContact CD2-CB 3.86Å; L133-P416 HydrophobicContact CD2-CG 3.71Å; L133-F417 HydrophobicContact CD1-CE2 4.29Å; L133-F417 HydrophobicContact CD1-CZ 4.19Å; L133-F417 HydrophobicContact CD2-CE1 4.41Å; L133-F417 HydrophobicContact CD2-CZ 3.84Å; L133-F417 HydrophobicContact CG-CE2 4.47Å; L133-F417 HydrophobicContact CG-CZ 3.87Å
134K75.5Confident82.2Confident135 Ų13535.1 Ų35.159%0.58718%0.178SC*.Hα-helixtrans-85.5-21.6175.9168.6170.3158.7-98.90112.8W130 E131 M132W130-K134 VanDerWaalsContact O-CB 3.3Å; W130-K134 WeakPolarHBondContact O-CB 3.05Å; W130-K134 PolarHBondContact O-N 2.94Å; E131-K134 CarbonylContact O-C 3.52Å; E131-K134 PolarHBondContact O-N 3.19Å; E131-K134 VanDerWaalsContact O-N 3.15Å; E131-K134 IonicContact OE1-NZ 4Å; E131-K134 PolarHBondContact OE1-NZ 3.19Å; E131-K134 IonicContact OE2-NZ 3.65Å; E131-K134 PolarHBondContact OE2-NZ 3.44Å; M132-K134 PolarHBondContact O-N 2.63Å
135R72.5Confident82.1Confident75 Ų7535.3 Ų35.328%0.28318%0.179SC..SBendtrans-116.838173.2-55.5-171.2-170.8-163.41.4111S104 E131 M132 D137 T138 A139S104-R135 PolarHBondContact O-NH1 3.23Å; E131-R135 PolarHBondContact O-N 2.88Å; E131-R135 IonicContact OE2-NE 4Å; M132-R135 CarbonylContact O-C 3.55Å; M132-R135 VanDerWaalsContact O-C 3.22Å; M132-R135 PolarHBondContact O-N 3.22Å; R135-D137 PolarHBondContact O-N 3.08Å; R135-D137 VanDerWaalsContact O-N 3.07Å; R135-T138 PolarHBondContact O-N 3.21Å; R135-T138 PolarHBondContact O-OG1 3.19Å; R135-A139 VanDerWaalsContact O-CB 3.27Å; R135-A139 WeakPolarHBondContact O-CB 3.33Å; R135-A139 PolarHBondContact O-N 3.09Å
136A71.3Confident81.9Confident65 Ų6537 Ų3754%0.53719%0.188SC..THydrogen-bonded Turntrans-57.9-29.4-170.300000113.3M132 T138M132-A136 WeakPolarHBondContact O-CA 3.42Å; M132-A136 PolarHBondContact O-N 2.81Å; A136-T138 PolarHBondContact O-N 2.84Å
137D65.7Low82Confident137 Ų13736.1 Ų36.173%0.73318%0.183SC*.THydrogen-bonded Turntrans-71.4-12.8178.1-46-46.8000113.9R135 V255R135-D137 PolarHBondContact O-N 3.08Å; R135-D137 VanDerWaalsContact O-N 3.07Å; D137-V255 HydrophobicContact CB-CG2 4.2Å
138T64.2Low82.2Confident22 Ų2236.3 Ų36.314%0.13519%0.185CC..THydrogen-bonded Turntrans-120.8-21.1173.765.20000113.9A105 R135 A136 C140 V255 V257A105-T138 WeakPolarHBondContact CB-O 3.45Å; A105-T138 WeakPolarHBondContact O-CB 3.33Å; A105-T138 PolarHBondContact O-OG1 3Å; R135-T138 PolarHBondContact O-N 3.21Å; R135-T138 PolarHBondContact O-OG1 3.19Å; A136-T138 PolarHBondContact O-N 2.84Å; T138-C140 PolarHBondContact O-N 3.44Å; T138-C140 PolarHBondContact O-SG 3.36Å; T138-V255 HydrophobicContact CG2-CB 4.02Å; T138-V255 HydrophobicContact CG2-CG1 3.41Å; T138-V255 VanDerWaalsContact CG2-CG1 3.41Å; T138-V255 HydrophobicContact CG2-CG2 4.47Å; T138-V257 HydrophobicContact CG2-CG1 4.3Å
139A69.7Low82.4Confident9 Ų936.1 Ų36.17%0.07418%0.184CC..  trans-80.276.9-167.700000112.8Q106 M132 R135 F141Q106-A139 HydrophobicContact CG-CB 4.49Å; M132-A139 HydrophobicContact CB-CB 4.02Å; M132-A139 HydrophobicContact CE-CB 4.47Å; R135-A139 VanDerWaalsContact O-CB 3.27Å; R135-A139 WeakPolarHBondContact O-CB 3.33Å; R135-A139 PolarHBondContact O-N 3.09Å; A139-F141 WeakPolarHBondContact O-CD1 3.43Å; A139-F141 PolarHBondContact O-N 2.92Å
140C81.8Confident82.4Confident9 Ų939.2 Ų39.26%0.06120%0.197CC..  trans-78.153-174-50.40000113.2Q106 T138 E143 E144 G240 C242Q106-C140 PolarHBondContact NE2-O 2.84Å; T138-C140 PolarHBondContact O-N 3.44Å; T138-C140 PolarHBondContact O-SG 3.36Å; C140-E143 WeakPolarHBondContact CA-OE2 3.09Å; C140-E143 HydrophobicContact CB-CB 4.08Å; C140-E143 HydrophobicContact CB-CG 4.23Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.6Å; C140-G240 WeakPolarHBondContact CB-O 3.39Å; C140-C242 WeakPolarHBondContact CB-O 3.33Å; C140-C242 PolarHBondContact SG-O 3.13Å; C140-C242 VanDerWaalsContact SG-O 3.37Å
141F85.2Confident82.5Confident17 Ų1739.4 Ų39.48%0.07520%0.201CC..Hα-helixtrans-80.1-18.1-172.171.4-97.3000114M132 A139 R145 L169 P416 F417 F420M132-F141 HydrophobicContact CB-CD1 4.22Å; M132-F141 HydrophobicContact CB-CE1 4.47Å; M132-F141 HydrophobicContact CE-CB 3.5Å; M132-F141 HydrophobicContact CE-CD1 4.03Å; M132-F141 HydrophobicContact CE-CG 4.05Å; M132-F141 HydrophobicContact SD-CB 4.04Å; M132-F141 HydrophobicContact SD-CD1 3.95Å; M132-F141 HydrophobicContact SD-CG 4.02Å; A139-F141 WeakPolarHBondContact O-CD1 3.43Å; A139-F141 PolarHBondContact O-N 2.92Å; F141-R145 VanDerWaalsContact O-CB 3.29Å; F141-R145 WeakPolarHBondContact O-CB 3.41Å; F141-R145 PolarHBondContact O-N 2.65Å; F141-L169 HydrophobicContact CB-CD1 4.38Å; F141-L169 HydrophobicContact CD2-CD1 3.76Å; F141-L169 HydrophobicContact CE2-CD1 4.33Å; F141-L169 HydrophobicContact CG-CD1 4.09Å; F141-P416 VanDerWaalsContact CE2-O 3.3Å; F141-P416 WeakPolarHBondContact CE2-O 3.29Å; F141-P416 HydrophobicContact CZ-CB 4.04Å; F141-P416 VanDerWaalsContact CZ-O 3.28Å; F141-P416 WeakPolarHBondContact CZ-O 3.11Å; F141-F417 HydrophobicContact CD2-CD1 4.25Å; F141-F417 HydrophobicContact CE1-CD1 4.29Å; F141-F417 AromaticContact CE1-CE1 3.9Å; F141-F417 HydrophobicContact CE1-CE1 3.9Å; F141-F417 AromaticContact CE2-CD1 3.51Å; F141-F417 HydrophobicContact CE2-CD1 3.51Å; F141-F417 AromaticContact CE2-CE1 3.97Å; F141-F417 HydrophobicContact CE2-CE1 3.97Å; F141-F417 AromaticContact CZ-CD1 3.54Å; F141-F417 HydrophobicContact CZ-CD1 3.54Å; F141-F417 AromaticContact CZ-CE1 3.59Å; F141-F417 HydrophobicContact CZ-CE1 3.59Å; F141-F420 HydrophobicContact CD2-CD2 4.13Å; F141-F420 HydrophobicContact CD2-CE2 4.47Å
142K87Confident83Confident99 Ų9940.8 Ų40.843%0.4321%0.209SC..Hα-helixtrans-78.8-44.1173.5-66.8-173.5173.5-170.10109.6R145 D146 P416K142-R145 PolarHBondContact O-N 3.44Å; K142-D146 VanDerWaalsContact O-CB 3.3Å; K142-D146 WeakPolarHBondContact O-CB 3.28Å; K142-D146 VanDerWaalsContact O-CG 3.25Å; K142-D146 PolarHBondContact O-N 2.63Å; K142-P416 WeakPolarHBondContact CE-O 2.98Å
143E90.2Very high83.5Confident50 Ų5044.9 Ų44.923%0.23422%0.224CC..Hα-helixtrans-59.2-49.4174.4-58.267.8-155.200109.4C140 R145 D146 V147 Y216 C242C140-E143 WeakPolarHBondContact CA-OE2 3.09Å; C140-E143 HydrophobicContact CB-CB 4.08Å; C140-E143 HydrophobicContact CB-CG 4.23Å; E143-R145 PolarHBondContact O-N 3.1Å; E143-D146 PolarHBondContact O-N 2.74Å; E143-V147 WeakPolarHBondContact O-CB 3.46Å; E143-V147 VanDerWaalsContact O-CG2 3.23Å; E143-V147 WeakPolarHBondContact O-CG2 3.25Å; E143-V147 PolarHBondContact O-N 3.47Å; E143-Y216 HydrophobicContact CB-CD1 4.16Å; E143-Y216 HydrophobicContact CB-CE1 3.93Å; E143-Y216 HydrophobicContact CG-CD1 4.45Å; E143-Y216 HydrophobicContact CG-CE1 4.05Å; E143-C242 HydrophobicContact CB-CB 4.02Å; E143-C242 WeakPolarHBondContact CB-O 2.97Å
144E92.3Very high84Confident3 Ų348.8 Ų48.81%0.01424%0.236CC..Hα-helixtrans-54.8-51.4171.7174.6165.7-164.700112.4Q106 K125 C140 L148 L171 F239 G240Q106-E144 PolarHBondContact NE2-OE2 3.29Å; Q106-E144 PolarHBondContact OE1-OE2 3.4Å; K125-E144 VanDerWaalsContact CD-OE1 3.3Å; K125-E144 WeakPolarHBondContact CD-OE1 2.96Å; K125-E144 IonicContact NZ-OE1 4Å; K125-E144 PolarHBondContact NZ-OE1 2.63Å; K125-E144 IonicContact NZ-OE2 2.82Å; K125-E144 PolarHBondContact NZ-OE2 2.69Å; C140-E144 WeakPolarHBondContact O-CB 3.49Å; C140-E144 PolarHBondContact O-N 2.6Å; E144-L148 HydrophobicContact CG-CD1 3.82Å; E144-L148 VanDerWaalsContact O-CB 3.29Å; E144-L148 WeakPolarHBondContact O-CB 3.01Å; E144-L148 WeakPolarHBondContact O-CD1 3.24Å; E144-L148 WeakPolarHBondContact O-CG 3.28Å; E144-L148 PolarHBondContact O-N 3.34Å; E144-L171 HydrophobicContact CG-CD1 3.83Å; E144-L171 VanDerWaalsContact OE1-CD1 3.29Å; E144-L171 WeakPolarHBondContact OE1-CD1 3.31Å; E144-F239 HydrophobicContact CB-CB 4.19Å; E144-F239 HydrophobicContact CG-CB 4.13Å; E144-G240 WeakPolarHBondContact OE2-CA 3.17Å
145R91.8Very high84.9Confident7 Ų742.7 Ų42.73%0.02621%0.209CC..Hα-helixtrans-63.1-43.8-179.2177.8-85.4-172.5-1730112F141 K142 E143 L148 V149 G419 F420 T421 D430F141-R145 VanDerWaalsContact O-CB 3.29Å; F141-R145 WeakPolarHBondContact O-CB 3.41Å; F141-R145 PolarHBondContact O-N 2.65Å; K142-R145 PolarHBondContact O-N 3.44Å; E143-R145 PolarHBondContact O-N 3.1Å; R145-L148 CarbonylContact O-C 3.54Å; R145-L148 WeakPolarHBondContact O-CB 3.3Å; R145-L148 PolarHBondContact O-N 3.39Å; R145-V149 HydrophobicContact CG-CG2 4.47Å; R145-V149 WeakPolarHBondContact O-CB 3.46Å; R145-V149 VanDerWaalsContact O-CG2 3.25Å; R145-V149 WeakPolarHBondContact O-CG2 3.39Å; R145-V149 PolarHBondContact O-N 2.77Å; R145-G419 PolarHBondContact NE-O 2.72Å; R145-G419 PolarHBondContact NH2-O 2.75Å; R145-F420 HydrophobicContact CB-CD2 3.98Å; R145-F420 HydrophobicContact CB-CE2 3.87Å; R145-F420 HydrophobicContact CG-CD2 3.96Å; R145-F420 HydrophobicContact CG-CE2 4.11Å; R145-F420 PolarHBondContact NE-O 2.81Å; R145-T421 PolarHBondContact NH2-O 2.77Å; R145-D430 IonicContact CZ-OD2 2.68Å; R145-D430 VanDerWaalsContact CZ-OD2 3.26Å; R145-D430 IonicContact NH1-OD2 3.84Å; R145-D430 PolarHBondContact NH1-OD2 3.49Å; R145-D430 IonicContact NH2-OD1 3.72Å; R145-D430 PolarHBondContact NH2-OD1 2.88Å; R145-D430 IonicContact NH2-OD2 2.72Å; R145-D430 PolarHBondContact NH2-OD2 2.93Å
146D90Very high86Confident40 Ų4039.1 Ų39.121%0.21420%0.196CC..Hα-helixtrans-72.6-38.3-176-71.7-16.7000111.1K142 E143 L148 V149 F150K142-D146 VanDerWaalsContact O-CB 3.3Å; K142-D146 WeakPolarHBondContact O-CB 3.28Å; K142-D146 VanDerWaalsContact O-CG 3.25Å; K142-D146 PolarHBondContact O-N 2.63Å; E143-D146 PolarHBondContact O-N 2.74Å; D146-L148 VanDerWaalsContact C-N 3.34Å; D146-L148 PolarHBondContact O-N 2.8Å; D146-V149 PolarHBondContact O-N 2.76Å; D146-F150 HydrophobicContact CB-CD2 4.09Å; D146-F150 HydrophobicContact CB-CE2 4.25Å; D146-F150 WeakPolarHBondContact O-CB 3.21Å; D146-F150 VanDerWaalsContact O-CD2 3.23Å; D146-F150 WeakPolarHBondContact O-CD2 3.5Å; D146-F150 PolarHBondContact O-N 3.46Å
147V92.7Very high87.1Confident1 Ų136.2 Ų36.21%0.00617%0.171CC..Hα-helixtrans-58.6-47.6169174.20000110.1E143 V149 G151 I156 V211 L214 Y216 F239E143-V147 WeakPolarHBondContact O-CB 3.46Å; E143-V147 VanDerWaalsContact O-CG2 3.23Å; E143-V147 WeakPolarHBondContact O-CG2 3.25Å; E143-V147 PolarHBondContact O-N 3.47Å; V147-V149 VanDerWaalsContact C-N 3.29Å; V147-V149 PolarHBondContact O-N 3.3Å; V147-G151 WeakPolarHBondContact O-CA 3.33Å; V147-G151 PolarHBondContact O-N 3.44Å; V147-I156 HydrophobicContact CG1-CD1 4.36Å; V147-I156 WeakPolarHBondContact O-CD1 2.82Å; V147-V211 HydrophobicContact CG1-CG2 4.34Å; V147-L214 HydrophobicContact CB-CD2 4.34Å; V147-L214 HydrophobicContact CG1-CD2 4.47Å; V147-L214 HydrophobicContact CG2-CD2 4.17Å; V147-Y216 HydrophobicContact CG2-CD1 3.96Å; V147-Y216 HydrophobicContact CG2-CD2 3.93Å; V147-Y216 HydrophobicContact CG2-CE1 4.41Å; V147-Y216 HydrophobicContact CG2-CE2 4.4Å; V147-Y216 HydrophobicContact CG2-CG 3.72Å; V147-F239 HydrophobicContact CB-CB 4.34Å; V147-F239 HydrophobicContact CB-CD1 4.44Å; V147-F239 HydrophobicContact CB-CG 4.19Å; V147-F239 HydrophobicContact CG1-CB 4.31Å; V147-F239 HydrophobicContact CG1-CD1 3.57Å; V147-F239 HydrophobicContact CG1-CD2 4.01Å; V147-F239 HydrophobicContact CG1-CE1 3.85Å; V147-F239 HydrophobicContact CG1-CE2 4.27Å; V147-F239 HydrophobicContact CG1-CG 3.66Å; V147-F239 HydrophobicContact CG1-CZ 4.2Å
148L93.5Very high88.4Confident5 Ų531.2 Ų31.23%0.02615%0.145CC..Hα-helixtrans-64-24.4177.3-75.5172.7000115.2E144 R145 D146 T157 L159 L171 M173 F239E144-L148 HydrophobicContact CG-CD1 3.82Å; E144-L148 VanDerWaalsContact O-CB 3.29Å; E144-L148 WeakPolarHBondContact O-CB 3.01Å; E144-L148 WeakPolarHBondContact O-CD1 3.24Å; E144-L148 WeakPolarHBondContact O-CG 3.28Å; E144-L148 PolarHBondContact O-N 3.34Å; R145-L148 CarbonylContact O-C 3.54Å; R145-L148 WeakPolarHBondContact O-CB 3.3Å; R145-L148 PolarHBondContact O-N 3.39Å; D146-L148 VanDerWaalsContact C-N 3.34Å; D146-L148 PolarHBondContact O-N 2.8Å; L148-T157 VanDerWaalsContact CD2-O 3.29Å; L148-T157 WeakPolarHBondContact CD2-O 3.47Å; L148-T157 VanDerWaalsContact CD2-OG1 3.27Å; L148-T157 WeakPolarHBondContact CD2-OG1 3.16Å; L148-L159 HydrophobicContact CB-CB 3.89Å; L148-L159 HydrophobicContact CB-CD2 3.82Å; L148-L159 HydrophobicContact CB-CG 4.41Å; L148-L159 HydrophobicContact CD2-CB 4.47Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; L148-L171 HydrophobicContact CD1-CD2 4.07Å; L148-L171 HydrophobicContact CD1-CG 4.39Å; L148-M173 HydrophobicContact CD1-SD 4.16Å; L148-M173 HydrophobicContact CD2-SD 4.04Å; L148-F239 HydrophobicContact CD2-CD2 3.73Å; L148-F239 HydrophobicContact CD2-CE2 3.77Å; L148-F239 HydrophobicContact CG-CD2 3.87Å; L148-F239 HydrophobicContact CG-CE2 4.38Å
149V90.4Very high89.9Confident4 Ų430.4 Ų30.42%0.02414%0.139CC..Hα-helixtrans-89.7-42.5179.81670000112.4R145 D146 V147 L159 Y422 D430R145-V149 HydrophobicContact CG-CG2 4.47Å; R145-V149 WeakPolarHBondContact O-CB 3.46Å; R145-V149 VanDerWaalsContact O-CG2 3.25Å; R145-V149 WeakPolarHBondContact O-CG2 3.39Å; R145-V149 PolarHBondContact O-N 2.77Å; D146-V149 PolarHBondContact O-N 2.76Å; V147-V149 VanDerWaalsContact C-N 3.29Å; V147-V149 PolarHBondContact O-N 3.3Å; V149-L159 HydrophobicContact CG2-CD2 3.76Å; V149-Y422 HydrophobicContact CG1-CD2 3.97Å; V149-Y422 HydrophobicContact CG1-CE2 3.81Å; V149-Y422 HydrophobicContact CG2-CD1 3.82Å; V149-Y422 HydrophobicContact CG2-CD2 3.76Å; V149-Y422 HydrophobicContact CG2-CE1 4.15Å; V149-Y422 HydrophobicContact CG2-CE2 4.13Å; V149-Y422 HydrophobicContact CG2-CG 3.59Å; V149-D430 HydrophobicContact CG1-CB 4.16Å
150F89.3Confident90.9Very high69 Ų6931.5 Ų31.530%0.30314%0.143SC..Hα-helixtrans-107.1-15.1-170.1-57.5-68000114.7L22 D146 L214 D430L22-F150 HydrophobicContact CD2-CD1 4.31Å; L22-F150 HydrophobicContact CG-CE1 4.4Å; D146-F150 HydrophobicContact CB-CD2 4.09Å; D146-F150 HydrophobicContact CB-CE2 4.25Å; D146-F150 WeakPolarHBondContact O-CB 3.21Å; D146-F150 VanDerWaalsContact O-CD2 3.23Å; D146-F150 WeakPolarHBondContact O-CD2 3.5Å; D146-F150 PolarHBondContact O-N 3.46Å; F150-L214 HydrophobicContact CB-CD1 3.89Å; F150-L214 HydrophobicContact CB-CD2 4.37Å; F150-D430 HydrophobicContact CE1-CB 4.12Å; F150-D430 HydrophobicContact CZ-CB 3.81Å
151G89.2Confident91.5Very high11 Ų1133.4 Ų33.411%0.11315%0.149CC..SBendtrans-72.8169.1-17900000114.8V147 R153V147-G151 WeakPolarHBondContact O-CA 3.33Å; V147-G151 PolarHBondContact O-N 3.44Å; G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.13Å
152D89.8Confident91.9Very high46 Ų4632.6 Ų32.625%0.24615%0.146CC..  trans-75.6104.6-175.5-170.1-14.8000111.8R154 W155 I156D152-R154 PolarHBondContact O-N 2.99Å; D152-R154 VanDerWaalsContact OD1-CB 3.24Å; D152-R154 WeakPolarHBondContact OD1-CB 3.13Å; D152-R154 VanDerWaalsContact OD1-CG 3.28Å; D152-R154 WeakPolarHBondContact OD1-CG 3.35Å; D152-R154 PolarHBondContact OD1-N 3.32Å; D152-R154 IonicContact OD1-NE 2.65Å; D152-R154 PolarHBondContact OD1-NE 3.35Å; D152-R154 IonicContact OD2-CZ 2.61Å; D152-R154 VanDerWaalsContact OD2-CZ 3.22Å; D152-R154 IonicContact OD2-NE 3.78Å; D152-R154 PolarHBondContact OD2-NE 3.41Å; D152-R154 IonicContact OD2-NH2 3.6Å; D152-R154 PolarHBondContact OD2-NH2 3.08Å; D152-W155 PolarHBondContact O-N 3.26Å; D152-I156 WeakPolarHBondContact O-CG1 3.05Å; D152-I156 PolarHBondContact O-N 3.16Å
153R90.5Very high92.3Very high91 Ų9128.3 Ų28.334%0.34313%0.127SC..THydrogen-bonded Turntrans-53.6-15.5176.2-66.5-178.4-165.4165.85.2115G151 W155 N158 K235 Y422G151-R153 PolarHBondContact O-N 3.33Å; G151-R153 VanDerWaalsContact O-N 3.13Å; R153-W155 VanDerWaalsContact C-N 3.3Å; R153-N158 WeakPolarHBondContact CB-OD1 3.25Å; R153-N158 WeakPolarHBondContact CG-OD1 3.47Å; R153-N158 PolarHBondContact O-OD1 3.19Å; R153-K235 PolarHBondContact O-NZ 3.18Å; R153-Y422 PolarHBondContact NH2-OH 3.42Å
154R91.4Very high92.4Very high129 Ų12927.9 Ų27.949%0.48713%0.125SC..THydrogen-bonded Turntrans-68.5-31.3169.4-62.7-178.7-63.5162.63.6111.9D152 K235 K370D152-R154 PolarHBondContact O-N 2.99Å; D152-R154 VanDerWaalsContact OD1-CB 3.24Å; D152-R154 WeakPolarHBondContact OD1-CB 3.13Å; D152-R154 VanDerWaalsContact OD1-CG 3.28Å; D152-R154 WeakPolarHBondContact OD1-CG 3.35Å; D152-R154 PolarHBondContact OD1-N 3.32Å; D152-R154 IonicContact OD1-NE 2.65Å; D152-R154 PolarHBondContact OD1-NE 3.35Å; D152-R154 IonicContact OD2-CZ 2.61Å; D152-R154 VanDerWaalsContact OD2-CZ 3.22Å; D152-R154 IonicContact OD2-NE 3.78Å; D152-R154 PolarHBondContact OD2-NE 3.41Å; D152-R154 IonicContact OD2-NH2 3.6Å; D152-R154 PolarHBondContact OD2-NH2 3.08Å; R154-K235 VanDerWaalsContact C-NZ 3.32Å; R154-K235 PolarHBondContact O-NZ 2.9Å; R154-K370 WeakPolarHBondContact O-CE 3.4Å; R154-K370 PolarHBondContact O-NZ 3.39Å
155W95.4Very high92.3Very high7 Ų730.4 Ų30.43%0.02714%0.139CC..THydrogen-bonded Turntrans-120.3-26.6-166.8-59.2121.3000115.6D152 R153 E203 L206 A207 K235 L236 I369 K370D152-W155 PolarHBondContact O-N 3.26Å; R153-W155 VanDerWaalsContact C-N 3.3Å; W155-E203 HydrophobicContact CH2-CB 4.47Å; W155-E203 HydrophobicContact CH2-CG 4.1Å; W155-E203 HydrophobicContact CZ3-CB 3.72Å; W155-E203 HydrophobicContact CZ3-CG 3.7Å; W155-E203 WeakPolarHBondContact CZ3-OE1 3.35Å; W155-L206 HydrophobicContact CD2-CB 4.14Å; W155-L206 HydrophobicContact CE3-CB 4.42Å; W155-L206 HydrophobicContact CH2-CB 4.22Å; W155-L206 HydrophobicContact CH2-CD1 3.78Å; W155-L206 HydrophobicContact CZ2-CB 3.91Å; W155-L206 HydrophobicContact CZ2-CD1 3.62Å; W155-L206 HydrophobicContact CZ2-CG 4.39Å; W155-L206 HydrophobicContact CZ3-CB 4.44Å; W155-A207 HydrophobicContact CB-CB 3.84Å; W155-A207 HydrophobicContact CG-CB 4.47Å; W155-K235 CarbonylContact O-C 3.46Å; W155-K235 WeakPolarHBondContact O-CA 3.41Å; W155-L236 PolarHBondContact O-N 3Å; W155-I369 HydrophobicContact CH2-CG2 4.07Å; W155-K370 HydrophobicContact CE3-CD 4.03Å; W155-K370 HydrophobicContact CH2-CB 4.15Å; W155-K370 HydrophobicContact CH2-CD 3.32Å; W155-K370 HydrophobicContact CH2-CG 4.34Å; W155-K370 HydrophobicContact CZ2-CB 4.35Å; W155-K370 HydrophobicContact CZ2-CD 3.91Å; W155-K370 HydrophobicContact CZ3-CD 3.41Å; W155-K370 VanDerWaalsContact CZ3-CD 3.41Å
156I95.3Very high92.1Very high1 Ų134.4 Ų34.41%0.00516%0.158CC..BIsolated β-bridgetrans-103163.9176.467.6158.1000112V147 D152 N158 V211 F239V147-I156 HydrophobicContact CG1-CD1 4.36Å; V147-I156 WeakPolarHBondContact O-CD1 2.82Å; D152-I156 WeakPolarHBondContact O-CG1 3.05Å; D152-I156 PolarHBondContact O-N 3.16Å; I156-N158 PolarHBondContact O-N 3.06Å; I156-V211 HydrophobicContact CG2-CG2 4.22Å; I156-F239 HydrophobicContact CB-CE2 3.9Å; I156-F239 HydrophobicContact CB-CZ 3.52Å; I156-F239 HydrophobicContact CG2-CE1 4.01Å; I156-F239 HydrophobicContact CG2-CE2 4.27Å; I156-F239 HydrophobicContact CG2-CZ 3.45Å; I156-F239 VanDerWaalsContact CG2-CZ 3.45Å
157T94.3Very high92Very high3 Ų338.2 Ų38.22%0.01817%0.172CC..  trans-62.5132.1172.251.90000112.3L148 L159 Y176 L227 K235 L236 A237L148-T157 VanDerWaalsContact CD2-O 3.29Å; L148-T157 WeakPolarHBondContact CD2-O 3.47Å; L148-T157 VanDerWaalsContact CD2-OG1 3.27Å; L148-T157 WeakPolarHBondContact CD2-OG1 3.16Å; T157-L159 PolarHBondContact O-N 2.69Å; T157-Y176 HydrophobicContact CG2-CD2 3.84Å; T157-Y176 HydrophobicContact CG2-CE2 3.54Å; T157-L227 HydrophobicContact CG2-CD1 3.87Å; T157-K235 HydrophobicContact CG2-CB 4.37Å; T157-L236 PolarHBondContact N-O 2.79Å; T157-L236 VanDerWaalsContact N-O 3.08Å; T157-A237 HydrophobicContact CG2-CB 3.63Å
158N92.9Very high91.9Very high33 Ų3339.4 Ų39.418%0.17618%0.179CC..  trans-78109.1-176.5-72.3-38.7000111.6R153 I156 H160 M173 D174 Y176R153-N158 WeakPolarHBondContact CB-OD1 3.25Å; R153-N158 WeakPolarHBondContact CG-OD1 3.47Å; R153-N158 PolarHBondContact O-OD1 3.19Å; I156-N158 PolarHBondContact O-N 3.06Å; N158-H160 PolarHBondContact O-N 2.92Å; N158-M173 CarbonylContact O-C 3.47Å; N158-M173 WeakPolarHBondContact O-CA 3.45Å; N158-D174 HydrophobicContact CB-CB 4.22Å; N158-D174 VanDerWaalsContact CB-OD2 3.25Å; N158-D174 WeakPolarHBondContact CB-OD2 3.48Å; N158-D174 PolarHBondContact ND2-OD2 2.66Å; N158-D174 PolarHBondContact O-N 2.67Å; N158-Y176 WeakPolarHBondContact CB-OH 3.44Å; N158-Y176 PolarHBondContact N-OH 2.97Å; N158-Y176 PolarHBondContact ND2-OH 3.03Å
159L94.1Very high91.8Very high4 Ų439.1 Ų39.12%0.02118%0.177CC..EExtended strand (participates in β ladder)trans-76.9116.5168.8-179.870.5000111.4L148 V149 T157 Y161 A162 L171 M173 Y422L148-L159 HydrophobicContact CB-CB 3.89Å; L148-L159 HydrophobicContact CB-CD2 3.82Å; L148-L159 HydrophobicContact CB-CG 4.41Å; L148-L159 HydrophobicContact CD2-CB 4.47Å; V149-L159 HydrophobicContact CG2-CD2 3.76Å; T157-L159 PolarHBondContact O-N 2.69Å; L159-Y161 WeakPolarHBondContact CD1-O 3.47Å; L159-A162 HydrophobicContact CD1-CB 4.36Å; L159-A162 HydrophobicContact CD2-CB 4.06Å; L159-L171 HydrophobicContact CD1-CB 4.02Å; L159-L171 HydrophobicContact CD1-CD2 3.76Å; L159-L171 HydrophobicContact CD2-CD2 4.32Å; L159-M173 HydrophobicContact CD1-CG 4.25Å; L159-Y422 HydrophobicContact CD2-CD1 3.67Å; L159-Y422 HydrophobicContact CD2-CE1 4.23Å; L159-Y422 HydrophobicContact CD2-CG 4.44Å; L159-Y422 HydrophobicContact CG-CD1 4Å; L159-Y422 HydrophobicContact CG-CE1 4.34Å
160H92.4Very high92Very high33 Ų3339.3 Ų39.315%0.15318%0.178CC..EExtended strand (participates in β ladder)trans-85.8-43.7170.2-71.6-103.1000111.5F122 N158 I172 D174 H424F122-H160 AromaticContact CD1-CD2 3.99Å; F122-H160 HydrophobicContact CE1-CB 4.11Å; F122-H160 AromaticContact CE1-CD2 3.73Å; F122-H160 AromaticContact CE1-CE1 3.98Å; F122-H160 AromaticContact CE1-CG 3.63Å; F122-H160 AromaticContact CE1-ND1 3.8Å; F122-H160 AromaticContact CE1-NE2 3.94Å; N158-H160 PolarHBondContact O-N 2.92Å; H160-I172 PolarHBondContact N-O 2.69Å; H160-D174 IonicContact CD2-OD1 2.61Å; H160-D174 IonicContact CE1-OD1 2.8Å; H160-D174 VanDerWaalsContact NE2-CG 3.33Å; H160-D174 IonicContact NE2-OD1 2.92Å; H160-D174 PolarHBondContact NE2-OD1 3.22Å; H160-D174 IonicContact NE2-OD2 3.22Å; H160-H424 WeakPolarHBondContact O-CB 3.44Å; H160-H424 PolarHBondContact O-N 3.31Å
161Y93.9Very high92.2Very high48 Ų4836 Ų3619%0.18816%0.163CC..EExtended strand (participates in β ladder)trans-144.9123.8-178.7-43.2-78.2000110.9L73 F122 L159 I172 Y422 T423L73-Y161 HydrophobicContact CD1-CD1 3.44Å; L73-Y161 VanDerWaalsContact CD1-CD1 3.44Å; L73-Y161 HydrophobicContact CD1-CD2 3.61Å; L73-Y161 HydrophobicContact CD1-CE1 3.98Å; L73-Y161 HydrophobicContact CD1-CE2 4.13Å; L73-Y161 HydrophobicContact CD1-CG 3.24Å; F122-Y161 HydrophobicContact CZ-CE2 4.24Å; L159-Y161 WeakPolarHBondContact CD1-O 3.47Å; Y161-I172 HydrophobicContact CD2-CB 3.96Å; Y161-I172 HydrophobicContact CD2-CG1 4.4Å; Y161-I172 HydrophobicContact CD2-CG2 3.88Å; Y161-I172 PolarHBondContact N-O 3.28Å; Y161-I172 VanDerWaalsContact N-O 3.16Å; Y161-I172 WeakPolarHBondContact O-CB 3.29Å; Y161-I172 PolarHBondContact O-N 3.28Å; Y161-Y422 CarbonylContact C-O 3.58Å; Y161-Y422 VanDerWaalsContact CA-O 3.3Å; Y161-Y422 WeakPolarHBondContact CA-O 3.46Å; Y161-T423 HydrophobicContact CD1-CG2 4.01Å; Y161-T423 HydrophobicContact CE1-CG2 4.06Å
162A94.4Very high92.6Very high1 Ų135.5 Ų35.51%0.00816%0.158CC..EExtended strand (participates in β ladder)trans-97.3126.1155.600000107.8L159 Y170 L171 F420 T421 Y422L159-A162 HydrophobicContact CD1-CB 4.36Å; L159-A162 HydrophobicContact CD2-CB 4.06Å; A162-Y170 CarbonylContact C-O 3.41Å; A162-Y170 WeakPolarHBondContact CA-O 3.39Å; A162-L171 HydrophobicContact CB-CD2 3.87Å; A162-F420 HydrophobicContact CB-CD1 4.05Å; A162-F420 HydrophobicContact CB-CE1 3.68Å; A162-F420 HydrophobicContact CB-CZ 4.18Å; A162-F420 WeakPolarHBondContact CB-O 3.35Å; A162-T421 CarbonylContact O-C 3.37Å; A162-T421 VanDerWaalsContact O-CA 3.31Å; A162-T421 WeakPolarHBondContact O-CA 3.41Å; A162-T421 WeakPolarHBondContact O-CG2 3.04Å; A162-Y422 PolarHBondContact N-O 2.95Å; A162-Y422 PolarHBondContact O-N 2.85Å
163F94.4Very high92.8Very high8 Ų834.1 Ų34.14%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-141.6173.517273.2-93000110.8L73 F78 M124 Y170 I172 F420L73-F163 HydrophobicContact CB-CB 4.5Å; L73-F163 HydrophobicContact CB-CD1 3.77Å; L73-F163 HydrophobicContact CB-CD2 4.45Å; L73-F163 HydrophobicContact CB-CE1 3.99Å; L73-F163 HydrophobicContact CB-CG 4.01Å; L73-F163 HydrophobicContact CB-CZ 4.45Å; L73-F163 HydrophobicContact CD1-CD1 4.32Å; L73-F163 VanDerWaalsContact O-CD2 3.23Å; L73-F163 WeakPolarHBondContact O-CD2 3.44Å; F78-F163 HydrophobicContact CD2-CE1 4.21Å; F78-F163 HydrophobicContact CD2-CZ 4.06Å; F78-F163 AromaticContact CE2-CE1 3.48Å; F78-F163 HydrophobicContact CE2-CE1 3.48Å; F78-F163 VanDerWaalsContact CE2-CE1 3.48Å; F78-F163 AromaticContact CE2-CZ 3.76Å; F78-F163 HydrophobicContact CE2-CZ 3.76Å; F78-F163 HydrophobicContact CZ-CE1 4.13Å; M124-F163 HydrophobicContact CE-CZ 4.26Å; F163-Y170 AromaticContact CD2-CD2 3.72Å; F163-Y170 HydrophobicContact CD2-CD2 3.72Å; F163-Y170 HydrophobicContact CD2-CG 4.12Å; F163-Y170 HydrophobicContact CE1-CG 4.25Å; F163-Y170 HydrophobicContact CE2-CD1 4.34Å; F163-Y170 AromaticContact CE2-CD2 3.37Å; F163-Y170 HydrophobicContact CE2-CD2 3.37Å; F163-Y170 HydrophobicContact CE2-CE2 4.01Å; F163-Y170 AromaticContact CE2-CG 3.58Å; F163-Y170 HydrophobicContact CE2-CG 3.58Å; F163-Y170 HydrophobicContact CZ-CD1 4.17Å; F163-Y170 AromaticContact CZ-CD2 3.97Å; F163-Y170 HydrophobicContact CZ-CD2 3.97Å; F163-Y170 AromaticContact CZ-CG 3.66Å; F163-Y170 HydrophobicContact CZ-CG 3.66Å; F163-Y170 PolarHBondContact N-O 3.11Å; F163-Y170 PolarHBondContact O-N 3.27Å; F163-I172 HydrophobicContact CD1-CG1 4.03Å; F163-I172 HydrophobicContact CE1-CD1 3.78Å; F163-I172 HydrophobicContact CE1-CG1 3.61Å; F163-F420 WeakPolarHBondContact O-CE1 3.39Å
164Q93Very high93Very high41 Ų4132 Ų3219%0.19215%0.146CC..EExtended strand (participates in β ladder)trans-149.4142.8-171.455.2176.4-53.600111.9D34 L169 F417 T421D34-Q164 PolarHBondContact OD2-NE2 2.78Å; D34-Q164 VanDerWaalsContact OD2-NE2 3.07Å; Q164-L169 HydrophobicContact CB-CD2 3.78Å; Q164-F417 PolarHBondContact NE2-O 3.02Å; Q164-T421 PolarHBondContact NE2-OG1 3.08Å
165D90.4Very high93.2Very high57 Ų5727 Ų2731%0.30513%0.127SC..  trans-112.7-164.3172.886.2-19.6000110.9K129 K167 N168 Y170K129-D165 WeakPolarHBondContact CE-O 3.44Å; K129-D165 PolarHBondContact NZ-O 3.07Å; D165-K167 PolarHBondContact O-N 3.46Å; D165-K167 WeakPolarHBondContact OD1-CA 3.33Å; D165-K167 PolarHBondContact OD1-N 2.94Å; D165-N168 PolarHBondContact N-O 3.11Å; D165-N168 VanDerWaalsContact N-O 3.09Å; D165-N168 PolarHBondContact OD1-N 2.86Å; D165-Y170 HydrophobicContact CB-CE2 4.02Å
166E86.7Confident93.1Very high91 Ų9127.3 Ų27.343%0.42513%0.128SC..SBendtrans-67.8-7.3177.7-88.6-160.8-140.800116.4W130 K1265W130-E166 VanDerWaalsContact CZ2-O 3.26Å; W130-E166 WeakPolarHBondContact CZ2-O 3.39Å; E166-K1265 PolarHBondContact O-NZ 3.29Å; E166-K1265 IonicContact OE2-NZ 3.71Å; E166-K1265 PolarHBondContact OE2-NZ 2.81Å
167K86.9Confident93Very high119 Ų11927.6 Ų27.652%0.51713%0.13SC..SBendtrans-140.2-28.6-168.3-66.7176.2-175.81730113.8N128 K129 D165N128-K167 PolarHBondContact ND2-O 2.96Å; K129-K167 WeakPolarHBondContact CB-O 3.48Å; K129-K167 PolarHBondContact N-O 3.22Å; D165-K167 PolarHBondContact O-N 3.46Å; D165-K167 WeakPolarHBondContact OD1-CA 3.33Å; D165-K167 PolarHBondContact OD1-N 2.94Å
168N90.7Very high92.8Very high26 Ų2627.5 Ų27.514%0.13913%0.13CC..EExtended strand (participates in β ladder)trans-137.4160.5-169.9-44.2-70.9000111.7I126 L127 N128 K129 D165 Y170I126-N168 HydrophobicContact CG2-CB 3.96Å; L127-N168 CarbonylContact O-C 3.51Å; L127-N168 WeakPolarHBondContact O-CA 3.45Å; L127-N168 WeakPolarHBondContact O-CB 3.38Å; N128-N168 PolarHBondContact ND2-OD1 3.27Å; K129-N168 WeakPolarHBondContact CE-O 3.18Å; D165-N168 PolarHBondContact N-O 3.11Å; D165-N168 VanDerWaalsContact N-O 3.09Å; D165-N168 PolarHBondContact OD1-N 2.86Å; N168-Y170 HydrophobicContact CB-CE2 3.8Å; N168-Y170 PolarHBondContact ND2-OH 2.8Å
169L92Very high92.8Very high0 Ų025.9 Ų25.90%012%0.121CC..EExtended strand (participates in β ladder)trans-102150.9158.9-46.3172.7000108.4L127 K129 M132 F141 Q164 F417 F420L127-L169 HydrophobicContact CB-CB 4.07Å; L127-L169 HydrophobicContact CD1-CB 4.37Å; L127-L169 HydrophobicContact CD1-CD1 4.47Å; L127-L169 PolarHBondContact N-O 3.07Å; L127-L169 PolarHBondContact O-N 2.81Å; K129-L169 HydrophobicContact CD-CD2 4.27Å; K129-L169 HydrophobicContact CG-CD2 3.95Å; K129-L169 HydrophobicContact CG-CG 4Å; M132-L169 HydrophobicContact SD-CD1 3.55Å; M132-L169 VanDerWaalsContact SD-CD1 3.55Å; M132-L169 HydrophobicContact SD-CG 4.31Å; F141-L169 HydrophobicContact CB-CD1 4.38Å; F141-L169 HydrophobicContact CD2-CD1 3.76Å; F141-L169 HydrophobicContact CE2-CD1 4.33Å; F141-L169 HydrophobicContact CG-CD1 4.09Å; Q164-L169 HydrophobicContact CB-CD2 3.78Å; L169-F417 HydrophobicContact CD1-CD1 3.74Å; L169-F417 HydrophobicContact CD1-CE1 4.05Å; L169-F417 HydrophobicContact CD2-CB 3.9Å; L169-F417 HydrophobicContact CD2-CD1 3.72Å; L169-F417 HydrophobicContact CD2-CE1 4.43Å; L169-F417 HydrophobicContact CD2-CG 3.81Å; L169-F417 HydrophobicContact CG-CD1 4.16Å; L169-F417 HydrophobicContact CG-CE1 4.49Å; L169-F420 HydrophobicContact CB-CD1 4.17Å; L169-F420 HydrophobicContact CB-CE1 3.59Å; L169-F420 HydrophobicContact CB-CE2 4.15Å; L169-F420 HydrophobicContact CB-CZ 3.56Å; L169-F420 HydrophobicContact CD1-CD2 3.84Å; L169-F420 HydrophobicContact CD1-CE1 4.45Å; L169-F420 HydrophobicContact CD1-CE2 3.68Å; L169-F420 HydrophobicContact CD1-CG 4.27Å; L169-F420 HydrophobicContact CD1-CZ 4Å; L169-F420 HydrophobicContact CD2-CD1 3.88Å; L169-F420 HydrophobicContact CD2-CD2 4.41Å; L169-F420 HydrophobicContact CD2-CE1 4.18Å; L169-F420 HydrophobicContact CD2-CG 4Å; L169-F420 HydrophobicContact CG-CD1 4.44Å; L169-F420 HydrophobicContact CG-CE1 4.29Å; L169-F420 HydrophobicContact CG-CE2 4.38Å; L169-F420 HydrophobicContact CG-CZ 4.24Å
170Y94.4Very high92.8Very high7 Ų726.7 Ų26.73%0.02713%0.126CC..EExtended strand (participates in β ladder)trans-130.2117.3-178.9-62.1-88000108.8R75 M124 K125 I126 A162 F163 D165 N168R75-Y170 HydrophobicContact CB-CE1 4.14Å; R75-Y170 HydrophobicContact CB-CE2 4.48Å; R75-Y170 HydrophobicContact CG-CE1 3.96Å; M124-Y170 HydrophobicContact CE-CD1 4.04Å; M124-Y170 HydrophobicContact CG-CD1 4Å; M124-Y170 HydrophobicContact SD-CD1 3.67Å; M124-Y170 HydrophobicContact SD-CE1 4.02Å; K125-Y170 WeakPolarHBondContact O-CA 3.49Å; I126-Y170 HydrophobicContact CB-CE1 4.44Å; I126-Y170 HydrophobicContact CD1-CE1 4.26Å; I126-Y170 HydrophobicContact CG1-CD1 4.03Å; I126-Y170 HydrophobicContact CG1-CE1 3.98Å; I126-Y170 HydrophobicContact CG2-CD1 4.32Å; I126-Y170 HydrophobicContact CG2-CE1 3.83Å; A162-Y170 CarbonylContact C-O 3.41Å; A162-Y170 WeakPolarHBondContact CA-O 3.39Å; F163-Y170 AromaticContact CD2-CD2 3.72Å; F163-Y170 HydrophobicContact CD2-CD2 3.72Å; F163-Y170 HydrophobicContact CD2-CG 4.12Å; F163-Y170 HydrophobicContact CE1-CG 4.25Å; F163-Y170 HydrophobicContact CE2-CD1 4.34Å; F163-Y170 AromaticContact CE2-CD2 3.37Å; F163-Y170 HydrophobicContact CE2-CD2 3.37Å; F163-Y170 HydrophobicContact CE2-CE2 4.01Å; F163-Y170 AromaticContact CE2-CG 3.58Å; F163-Y170 HydrophobicContact CE2-CG 3.58Å; F163-Y170 HydrophobicContact CZ-CD1 4.17Å; F163-Y170 AromaticContact CZ-CD2 3.97Å; F163-Y170 HydrophobicContact CZ-CD2 3.97Å; F163-Y170 AromaticContact CZ-CG 3.66Å; F163-Y170 HydrophobicContact CZ-CG 3.66Å; F163-Y170 PolarHBondContact N-O 3.11Å; F163-Y170 PolarHBondContact O-N 3.27Å; D165-Y170 HydrophobicContact CB-CE2 4.02Å; N168-Y170 HydrophobicContact CB-CE2 3.8Å; N168-Y170 PolarHBondContact ND2-OH 2.8Å
171L94.9Very high92.9Very high0 Ų025.1 Ų25.10%012%0.118CC..EExtended strand (participates in β ladder)trans-102116.5167.5-61.9166.6000107.7M124 K125 L127 E144 L148 L159 A162 M173 F420M124-L171 CarbonylContact C-O 3.51Å; M124-L171 WeakPolarHBondContact CA-O 3.42Å; K125-L171 HydrophobicContact CB-CB 4.24Å; K125-L171 HydrophobicContact CD-CD1 4.27Å; K125-L171 PolarHBondContact N-O 2.94Å; K125-L171 PolarHBondContact O-N 3.19Å; L127-L171 HydrophobicContact CD1-CD1 4.03Å; E144-L171 HydrophobicContact CG-CD1 3.83Å; E144-L171 VanDerWaalsContact OE1-CD1 3.29Å; E144-L171 WeakPolarHBondContact OE1-CD1 3.31Å; L148-L171 HydrophobicContact CD1-CD1 3.77Å; L148-L171 HydrophobicContact CD1-CD2 4.07Å; L148-L171 HydrophobicContact CD1-CG 4.39Å; L159-L171 HydrophobicContact CD1-CB 4.02Å; L159-L171 HydrophobicContact CD1-CD2 3.76Å; L159-L171 HydrophobicContact CD2-CD2 4.32Å; A162-L171 HydrophobicContact CB-CD2 3.87Å; L171-M173 HydrophobicContact CB-CE 4.31Å; L171-F420 HydrophobicContact CD2-CE1 4.19Å; L171-F420 HydrophobicContact CD2-CE2 4.05Å; L171-F420 HydrophobicContact CD2-CZ 3.42Å; L171-F420 VanDerWaalsContact CD2-CZ 3.42Å; L171-F420 HydrophobicContact CG-CZ 3.83Å
172I95.7Very high92.8Very high0 Ų024.9 Ų24.90%012%0.12CC..EExtended strand (participates in β ladder)trans-103.2103.5177.9-49.2-58.5000107.8F78 F122 A123 M124 H160 Y161 F163F78-I172 HydrophobicContact CE1-CD1 4.11Å; F78-I172 HydrophobicContact CE1-CG1 4.25Å; F78-I172 HydrophobicContact CE1-CG2 3.86Å; F78-I172 HydrophobicContact CE2-CD1 4.28Å; F78-I172 HydrophobicContact CE2-CG1 4.37Å; F78-I172 HydrophobicContact CZ-CD1 3.97Å; F78-I172 HydrophobicContact CZ-CG1 3.83Å; F78-I172 HydrophobicContact CZ-CG2 4.12Å; F122-I172 HydrophobicContact CB-CG2 3.47Å; F122-I172 VanDerWaalsContact CB-CG2 3.47Å; F122-I172 HydrophobicContact CD1-CG2 3.9Å; F122-I172 HydrophobicContact CD2-CG2 4.06Å; F122-I172 HydrophobicContact CG-CG2 3.55Å; A123-I172 WeakPolarHBondContact O-CA 3.2Å; M124-I172 HydrophobicContact CB-CD1 3.79Å; M124-I172 HydrophobicContact CE-CD1 3.53Å; M124-I172 HydrophobicContact CG-CD1 3.65Å; M124-I172 HydrophobicContact SD-CD1 4.45Å; H160-I172 PolarHBondContact N-O 2.69Å; Y161-I172 HydrophobicContact CD2-CB 3.96Å; Y161-I172 HydrophobicContact CD2-CG1 4.4Å; Y161-I172 HydrophobicContact CD2-CG2 3.88Å; Y161-I172 PolarHBondContact N-O 3.28Å; Y161-I172 VanDerWaalsContact N-O 3.16Å; Y161-I172 WeakPolarHBondContact O-CB 3.29Å; Y161-I172 PolarHBondContact O-N 3.28Å; F163-I172 HydrophobicContact CD1-CG1 4.03Å; F163-I172 HydrophobicContact CE1-CD1 3.78Å; F163-I172 HydrophobicContact CE1-CG1 3.61Å
173M95.3Very high92.6Very high18 Ų1825.5 Ų25.59%0.08912%0.124CC..EExtended strand (participates in β ladder)trans-108.3163.8-177.4-63.3167.7-7100110.8F122 A123 K125 L148 N158 L159 L171 Y175F122-M173 CarbonylContact C-O 3.59Å; F122-M173 WeakPolarHBondContact CA-O 2.79Å; F122-M173 WeakPolarHBondContact CB-O 3.4Å; A123-M173 PolarHBondContact N-O 2.61Å; A123-M173 PolarHBondContact O-N 2.73Å; K125-M173 HydrophobicContact CB-CE 3.9Å; L148-M173 HydrophobicContact CD1-SD 4.16Å; L148-M173 HydrophobicContact CD2-SD 4.04Å; N158-M173 CarbonylContact O-C 3.47Å; N158-M173 WeakPolarHBondContact O-CA 3.45Å; L159-M173 HydrophobicContact CD1-CG 4.25Å; L171-M173 HydrophobicContact CB-CE 4.31Å; M173-Y175 PolarHBondContact O-N 3.37Å
174D94.8Very high92.6Very high47 Ų4725.2 Ų25.225%0.25112%0.123SC..EExtended strand (participates in β ladder)trans-50.8140.6163.3-88-27.2000110.1N158 H160 Y176N158-D174 HydrophobicContact CB-CB 4.22Å; N158-D174 VanDerWaalsContact CB-OD2 3.25Å; N158-D174 WeakPolarHBondContact CB-OD2 3.48Å; N158-D174 PolarHBondContact ND2-OD2 2.66Å; N158-D174 PolarHBondContact O-N 2.67Å; H160-D174 IonicContact CD2-OD1 2.61Å; H160-D174 IonicContact CE1-OD1 2.8Å; H160-D174 VanDerWaalsContact NE2-CG 3.33Å; H160-D174 IonicContact NE2-OD1 2.92Å; H160-D174 PolarHBondContact NE2-OD1 3.22Å; H160-D174 IonicContact NE2-OD2 3.22Å; D174-Y176 HydrophobicContact CB-CD2 4.45Å; D174-Y176 HydrophobicContact CB-CE1 4.02Å; D174-Y176 HydrophobicContact CB-CE2 3.73Å; D174-Y176 VanDerWaalsContact CB-CZ 3.5Å; D174-Y176 WeakPolarHBondContact O-CD2 3.29Å; D174-Y176 WeakPolarHBondContact O-CE2 2.97Å; D174-Y176 PolarHBondContact O-N 2.79Å
175Y94.5Very high92.5Very high22 Ų2223.5 Ų23.59%0.08611%0.114CC..  trans-86.6105.9171.1-178.5-132000110.1I84 V112 I121 A123 M173 V177 D385 F389I84-Y175 HydrophobicContact CD1-CD2 4.33Å; I84-Y175 HydrophobicContact CD1-CE2 3.65Å; V112-Y175 HydrophobicContact CG1-CD1 4.1Å; V112-Y175 HydrophobicContact CG1-CE1 4.16Å; V112-Y175 HydrophobicContact CG1-CG 4.44Å; V112-Y175 HydrophobicContact CG2-CD1 4.33Å; V112-Y175 HydrophobicContact CG2-CD2 4Å; V112-Y175 HydrophobicContact CG2-CE1 3.9Å; V112-Y175 HydrophobicContact CG2-CE2 3.59Å; V112-Y175 HydrophobicContact CG2-CG 4.38Å; I121-Y175 HydrophobicContact CG2-CD1 4.06Å; I121-Y175 HydrophobicContact CG2-CG 4.44Å; A123-Y175 HydrophobicContact CB-CD2 4.29Å; M173-Y175 PolarHBondContact O-N 3.37Å; Y175-V177 HydrophobicContact CD1-CB 4.03Å; Y175-V177 HydrophobicContact CD1-CG2 4.47Å; Y175-V177 HydrophobicContact CE1-CB 3.88Å; Y175-V177 HydrophobicContact CE1-CG2 3.96Å; Y175-V177 PolarHBondContact O-N 3.07Å; Y175-D385 VanDerWaalsContact CE1-O 3.3Å; Y175-D385 WeakPolarHBondContact CE1-O 2.95Å; Y175-D385 PolarHBondContact OH-O 3.15Å; Y175-F389 HydrophobicContact CE2-CD2 4.23Å; Y175-F389 AromaticContact CE2-CE2 3.48Å; Y175-F389 HydrophobicContact CE2-CE2 3.48Å; Y175-F389 VanDerWaalsContact CE2-CE2 3.48Å; Y175-F389 AromaticContact CE2-CZ 3.96Å; Y175-F389 HydrophobicContact CE2-CZ 3.96Å; Y175-F389 AromaticContact CZ-CE2 3.65Å; Y175-F389 VanDerWaalsContact OH-CD2 3.25Å; Y175-F389 WeakPolarHBondContact OH-CD2 3.34Å; Y175-F389 WeakPolarHBondContact OH-CE2 3.29Å
176Y94.4Very high92.5Very high14 Ų1424.4 Ų24.46%0.05512%0.119CC..  trans-78.473.9177.7-63.4-70.7000110.7T157 N158 D174 G178 G179 L227 D229 K235 F389T157-Y176 HydrophobicContact CG2-CD2 3.84Å; T157-Y176 HydrophobicContact CG2-CE2 3.54Å; N158-Y176 WeakPolarHBondContact CB-OH 3.44Å; N158-Y176 PolarHBondContact N-OH 2.97Å; N158-Y176 PolarHBondContact ND2-OH 3.03Å; D174-Y176 HydrophobicContact CB-CD2 4.45Å; D174-Y176 HydrophobicContact CB-CE1 4.02Å; D174-Y176 HydrophobicContact CB-CE2 3.73Å; D174-Y176 VanDerWaalsContact CB-CZ 3.5Å; D174-Y176 WeakPolarHBondContact O-CD2 3.29Å; D174-Y176 WeakPolarHBondContact O-CE2 2.97Å; D174-Y176 PolarHBondContact O-N 2.79Å; Y176-G178 PolarHBondContact O-N 2.84Å; Y176-G179 PolarHBondContact O-N 3.26Å; Y176-L227 HydrophobicContact CD2-CD1 3.89Å; Y176-L227 HydrophobicContact CG-CB 4.33Å; Y176-L227 HydrophobicContact CG-CD1 4.37Å; Y176-D229 HydrophobicContact CD1-CB 3.93Å; Y176-D229 HydrophobicContact CE1-CB 4.23Å; Y176-K235 HydrophobicContact CD1-CB 4.44Å; Y176-K235 HydrophobicContact CD1-CG 3.87Å; Y176-K235 HydrophobicContact CE1-CB 4.35Å; Y176-K235 HydrophobicContact CE1-CD 4.09Å; Y176-K235 HydrophobicContact CE1-CG 3.59Å; Y176-K235 HydrophobicContact CG-CG 4.47Å; Y176-F389 WeakPolarHBondContact O-CE2 3.13Å; Y176-F389 VanDerWaalsContact O-CZ 3.23Å; Y176-F389 WeakPolarHBondContact O-CZ 3.41Å
177V92Very high92.6Very high7 Ų724 Ų244%0.04212%0.115CC..THydrogen-bonded Turntrans-57.7-11.3-178.866.40000114.3Y175 G179 I230 I380 D385 N388Y175-V177 HydrophobicContact CD1-CB 4.03Å; Y175-V177 HydrophobicContact CD1-CG2 4.47Å; Y175-V177 HydrophobicContact CE1-CB 3.88Å; Y175-V177 HydrophobicContact CE1-CG2 3.96Å; Y175-V177 PolarHBondContact O-N 3.07Å; V177-G179 PolarHBondContact O-N 3.08Å; V177-I230 HydrophobicContact CG1-CG2 3.74Å; V177-I380 HydrophobicContact CG1-CD1 3.78Å; V177-I380 HydrophobicContact CG1-CG1 4.05Å; V177-I380 HydrophobicContact CG1-CG2 4Å; V177-I380 HydrophobicContact CG2-CG1 4.3Å; V177-I380 HydrophobicContact CG2-CG2 3.7Å; V177-D385 HydrophobicContact CG2-CB 3.99Å; V177-N388 PolarHBondContact O-ND2 2.75Å
178G91Very high92.8Very high1 Ų121.3 Ų21.31%0.0110%0.104CC..THydrogen-bonded Turntrans-70.5-17.2172.100000114.5Y176 L228 P378 N388Y176-G178 PolarHBondContact O-N 2.84Å; G178-L228 VanDerWaalsContact CA-O 3.29Å; G178-L228 WeakPolarHBondContact CA-O 3.07Å; G178-L228 PolarHBondContact N-O 3.14Å; G178-P378 VanDerWaalsContact CA-CB 3.47Å; G178-N388 WeakPolarHBondContact O-CB 3.2Å
179G92.9Very high92.6Very high0 Ų026.8 Ų26.80%013%0.133CC..  trans100.7-160.2178.400000114.1Y176 V177 L227 L228 N388Y176-G179 PolarHBondContact O-N 3.26Å; V177-G179 PolarHBondContact O-N 3.08Å; G179-L227 CarbonylContact O-C 3.16Å; G179-L227 VanDerWaalsContact O-CA 3.3Å; G179-L227 WeakPolarHBondContact O-CA 3.28Å; G179-L228 PolarHBondContact O-N 3.33Å; G179-N388 WeakPolarHBondContact CA-O 3.4Å
180D93.8Very high92.3Very high21 Ų2130.6 Ų30.611%0.11215%0.153CC..BIsolated β-bridgetrans-110163.5169.74759.9000111.5L182 T183 L184 V226 L227 F389D180-L182 PolarHBondContact O-N 2.99Å; D180-T183 PolarHBondContact O-N 3.47Å; D180-T183 WeakPolarHBondContact OD1-CB 3.49Å; D180-T183 PolarHBondContact OD1-N 2.73Å; D180-T183 PolarHBondContact OD1-OG1 3.43Å; D180-L184 PolarHBondContact O-N 3.25Å; D180-L184 VanDerWaalsContact O-N 3.16Å; D180-V226 CarbonylContact C-O 3.45Å; D180-V226 WeakPolarHBondContact CA-O 3.3Å; D180-L227 HydrophobicContact CB-CD2 3.77Å; D180-F389 WeakPolarHBondContact OD2-CD1 3.16Å
181L94.6Very high92.1Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-66.4-27.9177.9175.667.9000111.4L184 L185 L192 M204 P223 V226 M294L181-L184 HydrophobicContact CD1-CB 4.38Å; L181-L184 HydrophobicContact CD1-CD2 4.16Å; L181-L184 CarbonylContact O-C 3.52Å; L181-L184 WeakPolarHBondContact O-CA 3.47Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-L184 VanDerWaalsContact O-N 3.11Å; L181-L185 HydrophobicContact CG-CD1 4.43Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 3.26Å; L181-L192 HydrophobicContact CD1-CD1 4.21Å; L181-M204 HydrophobicContact CD2-SD 4.06Å; L181-P223 HydrophobicContact CB-CB 4.04Å; L181-P223 WeakPolarHBondContact CB-O 3.32Å; L181-P223 HydrophobicContact CD2-CB 4.11Å; L181-P223 HydrophobicContact CD2-CG 4.41Å; L181-P223 HydrophobicContact CG-CB 4Å; L181-P223 PolarHBondContact N-O 2.68Å; L181-V226 HydrophobicContact CB-CB 3.81Å; L181-V226 HydrophobicContact CB-CG1 3.9Å; L181-V226 WeakPolarHBondContact CB-O 3.46Å; L181-V226 HydrophobicContact CD2-CB 4.1Å; L181-V226 HydrophobicContact CD2-CG1 3.96Å; L181-V226 HydrophobicContact CD2-CG2 4.46Å; L181-V226 PolarHBondContact N-O 3.46Å; L181-M294 HydrophobicContact CD1-CE 4.13Å; L181-M294 HydrophobicContact CD2-CE 3.36Å; L181-M294 HydrophobicContact CG-CE 4.36Å
182L92.2Very high92Very high43 Ų4334 Ų3423%0.22517%0.17CC..Hα-helixtrans-60.4-49.5173.4-175.960.1000110.6D180 L184 L185 I186 P223D180-L182 PolarHBondContact O-N 2.99Å; L182-L184 PolarHBondContact O-N 2.81Å; L182-L185 WeakPolarHBondContact O-CB 3.48Å; L182-L185 PolarHBondContact O-N 3.37Å; L182-L185 VanDerWaalsContact O-N 3.14Å; L182-I186 HydrophobicContact CD1-CD1 4.4Å; L182-I186 HydrophobicContact CG-CD1 4.1Å; L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 2.9Å; L182-P223 HydrophobicContact CB-CB 3.89Å; L182-P223 PolarHBondContact N-O 3.11Å
183T90.6Very high91.9Very high14 Ų1437.3 Ų37.39%0.08619%0.191CC..Hα-helixtrans-64.1-24.2174.4-54.80000112.2D180 K187D180-T183 PolarHBondContact O-N 3.47Å; D180-T183 WeakPolarHBondContact OD1-CB 3.49Å; D180-T183 PolarHBondContact OD1-N 2.73Å; D180-T183 PolarHBondContact OD1-OG1 3.43Å; T183-K187 WeakPolarHBondContact O-CD 3.3Å; T183-K187 WeakPolarHBondContact O-CG 3.15Å; T183-K187 PolarHBondContact O-N 2.91Å
184L93Very high91.8Very high2 Ų238.4 Ų38.41%0.0120%0.196CC..Hα-helixtrans-75.7-40.2171.5-178.358.8000112.6D180 L181 L182 K187 F188 L192 Y200 L228 Y376D180-L184 PolarHBondContact O-N 3.25Å; D180-L184 VanDerWaalsContact O-N 3.16Å; L181-L184 HydrophobicContact CD1-CB 4.38Å; L181-L184 HydrophobicContact CD1-CD2 4.16Å; L181-L184 CarbonylContact O-C 3.52Å; L181-L184 WeakPolarHBondContact O-CA 3.47Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.25Å; L181-L184 VanDerWaalsContact O-N 3.11Å; L182-L184 PolarHBondContact O-N 2.81Å; L184-K187 WeakPolarHBondContact O-CB 3.09Å; L184-K187 PolarHBondContact O-N 3.25Å; L184-F188 HydrophobicContact CD1-CD2 3.72Å; L184-F188 HydrophobicContact CD1-CE2 3.54Å; L184-F188 HydrophobicContact CG-CD2 4.48Å; L184-F188 WeakPolarHBondContact O-CD2 3.43Å; L184-F188 PolarHBondContact O-N 2.97Å; L184-L192 HydrophobicContact CG-CD2 4.3Å; L184-Y200 HydrophobicContact CD2-CD2 4.48Å; L184-Y200 HydrophobicContact CD2-CE2 3.66Å; L184-L228 HydrophobicContact CB-CD1 4.03Å; L184-L228 HydrophobicContact CD2-CD1 3.79Å; L184-L228 HydrophobicContact CG-CD1 4.41Å; L184-Y376 HydrophobicContact CD1-CD1 3.35Å; L184-Y376 HydrophobicContact CD1-CD2 4.07Å; L184-Y376 HydrophobicContact CD1-CE1 3.59Å; L184-Y376 HydrophobicContact CD1-CE2 4.28Å; L184-Y376 HydrophobicContact CD1-CG 3.59Å; L184-Y376 HydrophobicContact CD2-CD1 4.16Å; L184-Y376 HydrophobicContact CG-CD1 4.39Å
185L92.4Very high91.7Very high4 Ų443.3 Ų43.32%0.02122%0.218CC..Hα-helixtrans-59.4-51.6174.5-69.1162.2000110.1L181 L182 K187 F188 D190 L192 P223 E293 M294L181-L185 HydrophobicContact CG-CD1 4.43Å; L181-L185 WeakPolarHBondContact O-CG 3.36Å; L181-L185 PolarHBondContact O-N 3.26Å; L182-L185 WeakPolarHBondContact O-CB 3.48Å; L182-L185 PolarHBondContact O-N 3.37Å; L182-L185 VanDerWaalsContact O-N 3.14Å; L185-K187 PolarHBondContact O-N 3.07Å; L185-F188 PolarHBondContact O-N 2.98Å; L185-D190 VanDerWaalsContact CD2-O 3.25Å; L185-D190 WeakPolarHBondContact CD2-O 3.41Å; L185-D190 VanDerWaalsContact O-CA 3.22Å; L185-D190 WeakPolarHBondContact O-CA 3.42Å; L185-D190 PolarHBondContact O-N 2.98Å; L185-L192 HydrophobicContact CD2-CD1 4.32Å; L185-L192 HydrophobicContact CD2-CG 3.89Å; L185-P223 HydrophobicContact CD1-CB 3.89Å; L185-P223 HydrophobicContact CD1-CG 3.78Å; L185-E293 HydrophobicContact CD1-CG 4.22Å; L185-M294 HydrophobicContact CD2-CB 4.47Å; L185-M294 HydrophobicContact CD2-CG 4.21Å
186I90.4Very high91.7Very high77 Ų7743.2 Ų43.240%0.39522%0.218SC..Hα-helixtrans-56.9-28.2178.1-65.3165.2000112.5L182L182-I186 HydrophobicContact CD1-CD1 4.4Å; L182-I186 HydrophobicContact CG-CD1 4.1Å; L182-I186 WeakPolarHBondContact O-CG1 3.27Å; L182-I186 PolarHBondContact O-N 2.9Å
187K89.1Confident91.8Very high82 Ų8242.6 Ų42.636%0.35722%0.216SC..THydrogen-bonded Turntrans-78.2-13.4176.1-79.5169.4178.4174.30114.8T183 L184 L185 Y376 N388T183-K187 WeakPolarHBondContact O-CD 3.3Å; T183-K187 WeakPolarHBondContact O-CG 3.15Å; T183-K187 PolarHBondContact O-N 2.91Å; L184-K187 WeakPolarHBondContact O-CB 3.09Å; L184-K187 PolarHBondContact O-N 3.25Å; L185-K187 PolarHBondContact O-N 3.07Å; K187-Y376 PolarHBondContact NZ-OH 2.75Å; K187-Y376 VanDerWaalsContact NZ-OH 3.09Å; K187-N388 PolarHBondContact NZ-OD1 2.82Å
188F90.4Very high92Very high62 Ų6244.9 Ų44.927%0.27222%0.224SC..THydrogen-bonded Turntrans-117.525.3-175.1-84.5-102.6000112.3L184 L185 H191 L192 M196 Y376L184-F188 HydrophobicContact CD1-CD2 3.72Å; L184-F188 HydrophobicContact CD1-CE2 3.54Å; L184-F188 HydrophobicContact CG-CD2 4.48Å; L184-F188 WeakPolarHBondContact O-CD2 3.43Å; L184-F188 PolarHBondContact O-N 2.97Å; L185-F188 PolarHBondContact O-N 2.98Å; F188-H191 WeakPolarHBondContact CB-O 3.4Å; F188-H191 PolarHBondContact O-ND1 3.39Å; F188-L192 HydrophobicContact CB-CD2 3.82Å; F188-L192 HydrophobicContact CD1-CD2 4.26Å; F188-L192 HydrophobicContact CD2-CD2 4.13Å; F188-L192 HydrophobicContact CG-CD2 3.81Å; F188-M196 HydrophobicContact CD1-SD 4.45Å; F188-M196 HydrophobicContact CE1-CE 3.92Å; F188-M196 HydrophobicContact CE1-SD 3.78Å; F188-M196 HydrophobicContact CE2-CE 4.34Å; F188-M196 HydrophobicContact CZ-CE 3.76Å; F188-M196 HydrophobicContact CZ-SD 4.2Å; F188-Y376 AromaticContact CE2-CD2 3.73Å; F188-Y376 HydrophobicContact CE2-CD2 3.73Å; F188-Y376 HydrophobicContact CE2-CE2 4.13Å; F188-Y376 HydrophobicContact CE2-CG 4.25Å; F188-Y376 AromaticContact CZ-CD2 3.95Å; F188-Y376 HydrophobicContact CZ-CD2 3.95Å
189D87.2Confident92.2Very high141 Ų14145.8 Ų45.875%0.75423%0.227SC*.THydrogen-bonded Turntrans56.451.2-172.4-57.5-47.7000111.1H191D189-H191 PolarHBondContact O-N 3.24Å
190D84.9Confident92.5Very high80 Ų8045.8 Ų45.843%0.42823%0.227SC..THydrogen-bonded Turntrans62.8-19.4179.1-58.2-44000117.1L185L185-D190 VanDerWaalsContact CD2-O 3.25Å; L185-D190 WeakPolarHBondContact CD2-O 3.41Å; L185-D190 VanDerWaalsContact O-CA 3.22Å; L185-D190 WeakPolarHBondContact O-CA 3.42Å; L185-D190 PolarHBondContact O-N 2.98Å
191H89.5Confident92.6Very high74 Ų7444.8 Ų44.834%0.34322%0.222SC..  trans-111.5143.8177.465.116.6000114.2F188 D189F188-H191 WeakPolarHBondContact CB-O 3.4Å; F188-H191 PolarHBondContact O-ND1 3.39Å; D189-H191 PolarHBondContact O-N 3.24Å
192L92.9Very high92.7Very high6 Ų644.8 Ų44.83%0.03122%0.222CC..  trans-99.9141.9172.8-61.7-175.7000111.6L181 L184 L185 F188 E194 M196 Y200 M294L181-L192 HydrophobicContact CD1-CD1 4.21Å; L184-L192 HydrophobicContact CG-CD2 4.3Å; L185-L192 HydrophobicContact CD2-CD1 4.32Å; L185-L192 HydrophobicContact CD2-CG 3.89Å; F188-L192 HydrophobicContact CB-CD2 3.82Å; F188-L192 HydrophobicContact CD1-CD2 4.26Å; F188-L192 HydrophobicContact CD2-CD2 4.13Å; F188-L192 HydrophobicContact CG-CD2 3.81Å; L192-E194 PolarHBondContact O-N 2.9Å; L192-M196 HydrophobicContact CB-CB 4.31Å; L192-M196 HydrophobicContact CD2-CE 4.38Å; L192-Y200 HydrophobicContact CD1-CD2 3.81Å; L192-Y200 HydrophobicContact CD1-CE2 4.22Å; L192-M294 WeakPolarHBondContact CA-O 3.25Å; L192-M294 HydrophobicContact CD1-CG 4.16Å; L192-M294 HydrophobicContact CD1-SD 4.41Å; L192-M294 PolarHBondContact N-O 2.77Å
193P93.3Very high93Very high69 Ų6942.8 Ų42.845%0.44821%0.211SC..  trans-53.6140.9167.1-23.932.5000111.5E195 M196 A197P193-E195 PolarHBondContact O-N 2.89Å; P193-M196 HydrophobicContact CB-CG 4.19Å; P193-M196 HydrophobicContact CB-SD 4.5Å; P193-M196 HydrophobicContact CG-CG 4.26Å; P193-M196 HydrophobicContact CG-SD 3.92Å; P193-M196 WeakPolarHBondContact O-CA 3.36Å; P193-M196 WeakPolarHBondContact O-CB 3.42Å; P193-M196 PolarHBondContact O-N 3.42Å; P193-A197 PolarHBondContact O-N 3.3Å
194E94.4Very high93.3Very high41 Ų4142.3 Ų42.319%0.19221%0.208CC..Hα-helixtrans-55.6-30.9-172.7-165.1-167.8114.800113.5L192 R198 L295 S329 A332 F360L192-E194 PolarHBondContact O-N 2.9Å; E194-R198 VanDerWaalsContact O-CB 3.23Å; E194-R198 WeakPolarHBondContact O-CB 3.38Å; E194-R198 PolarHBondContact O-N 2.99Å; E194-R198 IonicContact OE1-CZ 2.66Å; E194-R198 IonicContact OE1-NH2 3.89Å; E194-R198 PolarHBondContact OE1-NH2 3.39Å; E194-L295 HydrophobicContact CB-CD2 4.11Å; E194-L295 HydrophobicContact CG-CD2 4Å; E194-S329 PolarHBondContact OE1-OG 2.87Å; E194-S329 WeakPolarHBondContact OE2-CB 3.49Å; E194-S329 PolarHBondContact OE2-N 2.9Å; E194-S329 PolarHBondContact OE2-OG 3.45Å; E194-A332 HydrophobicContact CG-CB 4.33Å; E194-F360 HydrophobicContact CG-CE2 3.7Å; E194-F360 HydrophobicContact CG-CZ 4.46Å
195E92.5Very high93.5Very high150 Ų15042.2 Ų42.270%0.70121%0.208SC*.Hα-helixtrans-67.8-35.9174.9-173.8165-153.400113.4P193 F199P193-E195 PolarHBondContact O-N 2.89Å; E195-F199 PolarHBondContact O-N 3.18Å
196M94.9Very high93.7Very high20 Ų2042.4 Ų42.410%0.09921%0.209CC..Hα-helixtrans-71.7-45.9173.1-54.8-170.548.500110.7F188 L192 P193 R198 F199 Y200 P375F188-M196 HydrophobicContact CD1-SD 4.45Å; F188-M196 HydrophobicContact CE1-CE 3.92Å; F188-M196 HydrophobicContact CE1-SD 3.78Å; F188-M196 HydrophobicContact CE2-CE 4.34Å; F188-M196 HydrophobicContact CZ-CE 3.76Å; F188-M196 HydrophobicContact CZ-SD 4.2Å; L192-M196 HydrophobicContact CB-CB 4.31Å; L192-M196 HydrophobicContact CD2-CE 4.38Å; P193-M196 HydrophobicContact CB-CG 4.19Å; P193-M196 HydrophobicContact CB-SD 4.5Å; P193-M196 HydrophobicContact CG-CG 4.26Å; P193-M196 HydrophobicContact CG-SD 3.92Å; P193-M196 WeakPolarHBondContact O-CA 3.36Å; P193-M196 WeakPolarHBondContact O-CB 3.42Å; P193-M196 PolarHBondContact O-N 3.42Å; M196-R198 VanDerWaalsContact C-N 3.29Å; M196-R198 PolarHBondContact O-N 3.23Å; M196-F199 WeakPolarHBondContact O-CB 3.34Å; M196-F199 PolarHBondContact O-N 2.93Å; M196-F199 VanDerWaalsContact O-N 3.16Å; M196-Y200 HydrophobicContact CB-CD2 4.49Å; M196-Y200 HydrophobicContact CB-CE2 4.42Å; M196-Y200 HydrophobicContact CE-CE2 4.25Å; M196-Y200 WeakPolarHBondContact O-CD2 3.37Å; M196-Y200 PolarHBondContact O-N 3.07Å; M196-P375 HydrophobicContact CB-CB 4.24Å; M196-P375 HydrophobicContact CB-CG 4.13Å; M196-P375 HydrophobicContact CE-CB 4.23Å; M196-P375 HydrophobicContact CE-CG 4.39Å; M196-P375 HydrophobicContact CG-CB 3.84Å; M196-P375 HydrophobicContact CG-CG 4.29Å
197A95.6Very high93.9Very high0 Ų038.8 Ų38.80%019%0.19CC..Hα-helixtrans-57.8-41.5175.300000111.5P193 F199 Y200 I201 M294 L295P193-A197 PolarHBondContact O-N 3.3Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.13Å; A197-Y200 PolarHBondContact O-N 3.45Å; A197-I201 VanDerWaalsContact O-CB 3.29Å; A197-I201 WeakPolarHBondContact O-CB 3.12Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.41Å; A197-I201 PolarHBondContact O-N 3.22Å; A197-M294 HydrophobicContact CB-CB 4.13Å; A197-M294 HydrophobicContact CB-SD 3.94Å; A197-L295 HydrophobicContact CB-CD2 3.75Å; A197-L295 HydrophobicContact CB-CG 4.27Å
198R96Very high94.3Very high56 Ų5635 Ų3521%0.21117%0.174CC..Hα-helixtrans-59-40.6175.9-172.2-174.2-59.6114.39.8113E194 M196 A202 F360 F361 I364E194-R198 VanDerWaalsContact O-CB 3.23Å; E194-R198 WeakPolarHBondContact O-CB 3.38Å; E194-R198 PolarHBondContact O-N 2.99Å; E194-R198 IonicContact OE1-CZ 2.66Å; E194-R198 IonicContact OE1-NH2 3.89Å; E194-R198 PolarHBondContact OE1-NH2 3.39Å; M196-R198 VanDerWaalsContact C-N 3.29Å; M196-R198 PolarHBondContact O-N 3.23Å; R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.23Å; R198-A202 PolarHBondContact O-N 2.85Å; R198-A202 VanDerWaalsContact O-N 3.12Å; R198-F360 HydrophobicContact CB-CE1 3.96Å; R198-F360 HydrophobicContact CB-CE2 4.29Å; R198-F360 HydrophobicContact CB-CZ 3.69Å; R198-F360 WeakPolarHBondContact CD-O 3.33Å; R198-F360 HydrophobicContact CG-CD1 4.32Å; R198-F360 HydrophobicContact CG-CE1 3.96Å; R198-F360 HydrophobicContact CG-CZ 4.09Å; R198-F360 WeakPolarHBondContact CG-O 3.04Å; R198-F360 PolarHBondContact NE-O 2.85Å; R198-F361 HydrophobicContact CG-CD1 4.38Å; R198-I364 HydrophobicContact CG-CD1 4.23Å; R198-I364 HydrophobicContact CG-CG1 4.27Å
199F96.6Very high94.5Very high20 Ų2032.2 Ų32.29%0.08816%0.162CC..Hα-helixtrans-66.5-52174.6-178.2-84.2000111.4E195 M196 A197 I201 A202 E203 H233 I369 A372 A374 P375E195-F199 PolarHBondContact O-N 3.18Å; M196-F199 WeakPolarHBondContact O-CB 3.34Å; M196-F199 PolarHBondContact O-N 2.93Å; M196-F199 VanDerWaalsContact O-N 3.16Å; A197-F199 VanDerWaalsContact C-N 3.33Å; A197-F199 PolarHBondContact O-N 3.13Å; F199-I201 PolarHBondContact O-N 3.48Å; F199-A202 PolarHBondContact O-N 3.31Å; F199-E203 HydrophobicContact CD1-CG 4.34Å; F199-E203 HydrophobicContact CE1-CG 3.88Å; F199-E203 HydrophobicContact CZ-CG 4.17Å; F199-E203 PolarHBondContact O-N 3.43Å; F199-H233 AromaticContact CZ-CE1 3.88Å; F199-H233 AromaticContact CZ-ND1 3.69Å; F199-I369 HydrophobicContact CD2-CD1 4.05Å; F199-I369 HydrophobicContact CD2-CG1 4.1Å; F199-I369 HydrophobicContact CE2-CD1 4.09Å; F199-I369 HydrophobicContact CE2-CG1 3.67Å; F199-I369 HydrophobicContact CZ-CG1 4.15Å; F199-A372 HydrophobicContact CE2-CB 4.47Å; F199-A374 HydrophobicContact CE1-CB 3.76Å; F199-A374 HydrophobicContact CZ-CB 3.78Å; F199-P375 HydrophobicContact CB-CG 4.02Å; F199-P375 HydrophobicContact CD1-CG 3.99Å; F199-P375 HydrophobicContact CG-CG 4.04Å
200Y97.3Very high94.9Very high0 Ų026 Ų260%013%0.129CC..Hα-helixtrans-65.7-40.4-176.5-71.5-57.6000112.8L184 L192 M196 A197 E203 M204 L228 G232 V234 P375 Y376L184-Y200 HydrophobicContact CD2-CD2 4.48Å; L184-Y200 HydrophobicContact CD2-CE2 3.66Å; L192-Y200 HydrophobicContact CD1-CD2 3.81Å; L192-Y200 HydrophobicContact CD1-CE2 4.22Å; M196-Y200 HydrophobicContact CB-CD2 4.49Å; M196-Y200 HydrophobicContact CB-CE2 4.42Å; M196-Y200 HydrophobicContact CE-CE2 4.25Å; M196-Y200 WeakPolarHBondContact O-CD2 3.37Å; M196-Y200 PolarHBondContact O-N 3.07Å; A197-Y200 PolarHBondContact O-N 3.45Å; Y200-E203 PolarHBondContact O-N 3.37Å; Y200-M204 WeakPolarHBondContact O-CB 3.34Å; Y200-M204 VanDerWaalsContact O-CG 3.27Å; Y200-M204 WeakPolarHBondContact O-CG 3.14Å; Y200-M204 PolarHBondContact O-N 2.77Å; Y200-L228 HydrophobicContact CD1-CD2 4.5Å; Y200-L228 HydrophobicContact CE1-CD2 3.89Å; Y200-G232 WeakPolarHBondContact CE1-O 3.49Å; Y200-G232 PolarHBondContact OH-O 3.42Å; Y200-V234 HydrophobicContact CD1-CG2 3.8Å; Y200-P375 HydrophobicContact CD2-CG 4.4Å; Y200-P375 HydrophobicContact CE2-CG 3.72Å; Y200-Y376 PolarHBondContact OH-N 2.88Å; Y200-Y376 PolarHBondContact OH-O 3.17Å
201I97.5Very high95.3Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-66.1-36.9173.7-64.1-59.8000111.2A197 F199 M204 V205 L287 M291 M294 F361A197-I201 VanDerWaalsContact O-CB 3.29Å; A197-I201 WeakPolarHBondContact O-CB 3.12Å; A197-I201 VanDerWaalsContact O-CG1 3.25Å; A197-I201 WeakPolarHBondContact O-CG1 3.41Å; A197-I201 PolarHBondContact O-N 3.22Å; F199-I201 PolarHBondContact O-N 3.48Å; I201-M204 HydrophobicContact CD1-SD 4.09Å; I201-M204 PolarHBondContact O-N 2.66Å; I201-V205 HydrophobicContact CG2-CG2 4.38Å; I201-V205 WeakPolarHBondContact O-CB 3.49Å; I201-V205 VanDerWaalsContact O-CG2 3.23Å; I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 2.97Å; I201-L287 HydrophobicContact CD1-CD1 3.77Å; I201-L287 HydrophobicContact CG2-CD1 4.19Å; I201-L287 HydrophobicContact CG2-CD2 4.5Å; I201-L287 HydrophobicContact CG2-CG 4.48Å; I201-M291 HydrophobicContact CD1-CB 3.67Å; I201-M291 HydrophobicContact CD1-CG 4.27Å; I201-M291 HydrophobicContact CG1-CB 3.97Å; I201-M291 HydrophobicContact CG1-CG 3.99Å; I201-M291 HydrophobicContact CG2-SD 4.44Å; I201-M294 HydrophobicContact CD1-CE 3.57Å; I201-M294 HydrophobicContact CD1-SD 3.64Å; I201-M294 HydrophobicContact CG1-CE 4.05Å; I201-M294 HydrophobicContact CG1-SD 3.65Å; I201-F361 HydrophobicContact CB-CE1 4.36Å; I201-F361 HydrophobicContact CG2-CE1 3.84Å; I201-F361 HydrophobicContact CG2-CZ 3.73Å
202A96.8Very high95.6Very high0 Ų019.9 Ų19.90%010%0.098CC..Hα-helixtrans-65-43.1174.600000112.5R198 F199 V205 L206 F361 I364 W366 I369R198-A202 VanDerWaalsContact O-CB 3.27Å; R198-A202 WeakPolarHBondContact O-CB 3.23Å; R198-A202 PolarHBondContact O-N 2.85Å; R198-A202 VanDerWaalsContact O-N 3.12Å; F199-A202 PolarHBondContact O-N 3.31Å; A202-V205 PolarHBondContact O-N 3.14Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 3.13Å; A202-L206 VanDerWaalsContact O-N 3.13Å; A202-F361 HydrophobicContact CB-CD1 3.99Å; A202-F361 HydrophobicContact CB-CE1 4.07Å; A202-I364 HydrophobicContact CB-CD1 4.43Å; A202-I364 HydrophobicContact CB-CG1 4.33Å; A202-I364 HydrophobicContact CB-CG2 4.01Å; A202-W366 HydrophobicContact CB-CE3 4.48Å; A202-W366 HydrophobicContact CB-CH2 4.11Å; A202-W366 HydrophobicContact CB-CZ3 3.91Å; A202-I369 HydrophobicContact CB-CD1 3.71Å
203E97.1Very high95.5Very high0 Ų026.4 Ų26.40%012%0.123CC..Hα-helixtrans-67-37.5173.8-72.9-148.8126.400112.6W155 F199 Y200 L206 A207 H233 V234 I369 K370W155-E203 HydrophobicContact CH2-CB 4.47Å; W155-E203 HydrophobicContact CH2-CG 4.1Å; W155-E203 HydrophobicContact CZ3-CB 3.72Å; W155-E203 HydrophobicContact CZ3-CG 3.7Å; W155-E203 WeakPolarHBondContact CZ3-OE1 3.35Å; F199-E203 HydrophobicContact CD1-CG 4.34Å; F199-E203 HydrophobicContact CE1-CG 3.88Å; F199-E203 HydrophobicContact CZ-CG 4.17Å; F199-E203 PolarHBondContact O-N 3.43Å; Y200-E203 PolarHBondContact O-N 3.37Å; E203-L206 PolarHBondContact O-N 3.38Å; E203-A207 WeakPolarHBondContact O-CB 3.09Å; E203-A207 PolarHBondContact O-N 3.33Å; E203-H233 IonicContact OE1-CE1 2.74Å; E203-H233 IonicContact OE1-CG 3.96Å; E203-H233 IonicContact OE1-ND1 3.01Å; E203-H233 PolarHBondContact OE1-ND1 2.86Å; E203-H233 VanDerWaalsContact OE2-CA 3.31Å; E203-H233 WeakPolarHBondContact OE2-CA 3.48Å; E203-H233 WeakPolarHBondContact OE2-CB 3.11Å; E203-H233 IonicContact OE2-CG 2.71Å; E203-H233 IonicContact OE2-ND1 3.27Å; E203-V234 HydrophobicContact CB-CB 3.87Å; E203-V234 HydrophobicContact CB-CG2 3.76Å; E203-V234 WeakPolarHBondContact OE2-CB 3.45Å; E203-V234 PolarHBondContact OE2-N 3.38Å; E203-I369 HydrophobicContact CG-CD1 3.73Å; E203-I369 HydrophobicContact CG-CG1 4.02Å; E203-K370 WeakPolarHBondContact OE1-CD 3.2Å; E203-K370 WeakPolarHBondContact OE1-CE 3.49Å; E203-K370 IonicContact OE1-NZ 2.69Å; E203-K370 PolarHBondContact OE1-NZ 2.77Å; E203-K370 IonicContact OE2-NZ 3.22Å
204M97.6Very high95.4Very high4 Ų425.6 Ų25.62%0.0211%0.114CC..Hα-helixtrans-65.1-40.4173.5-77.1174.467.800112L181 Y200 I201 A207 I208 V221 V226 V234 L287 C290 M294L181-M204 HydrophobicContact CD2-SD 4.06Å; Y200-M204 WeakPolarHBondContact O-CB 3.34Å; Y200-M204 VanDerWaalsContact O-CG 3.27Å; Y200-M204 WeakPolarHBondContact O-CG 3.14Å; Y200-M204 PolarHBondContact O-N 2.77Å; I201-M204 HydrophobicContact CD1-SD 4.09Å; I201-M204 PolarHBondContact O-N 2.66Å; M204-A207 PolarHBondContact O-N 3.06Å; M204-I208 WeakPolarHBondContact O-CB 3.22Å; M204-I208 WeakPolarHBondContact O-CD1 3.29Å; M204-I208 VanDerWaalsContact O-CG1 3.25Å; M204-I208 WeakPolarHBondContact O-CG1 3.09Å; M204-I208 PolarHBondContact O-N 3.02Å; M204-V221 HydrophobicContact CE-CG1 3.92Å; M204-V226 HydrophobicContact CE-CG2 3.8Å; M204-V226 HydrophobicContact CG-CG1 4.05Å; M204-V226 HydrophobicContact CG-CG2 4.22Å; M204-V226 HydrophobicContact SD-CG1 4.14Å; M204-V226 HydrophobicContact SD-CG2 4Å; M204-V234 HydrophobicContact CG-CG1 4.27Å; M204-V234 HydrophobicContact CG-CG2 4.44Å; M204-L287 HydrophobicContact CB-CD1 3.73Å; M204-L287 HydrophobicContact CE-CD1 3.7Å; M204-L287 HydrophobicContact SD-CD1 4.34Å; M204-C290 HydrophobicContact CE-CB 3.79Å; M204-M294 HydrophobicContact SD-CE 3.58Å; M204-M294 VanDerWaalsContact SD-CE 3.58Å
205V97Very high95.3Very high0 Ų024.8 Ų24.80%012%0.116CC..Hα-helixtrans-57.2-50.9173.6164.40000110.1I201 A202 A207 I208 D209 W284 L287 L352 F355 F361 W366I201-V205 HydrophobicContact CG2-CG2 4.38Å; I201-V205 WeakPolarHBondContact O-CB 3.49Å; I201-V205 VanDerWaalsContact O-CG2 3.23Å; I201-V205 WeakPolarHBondContact O-CG2 3.37Å; I201-V205 PolarHBondContact O-N 2.97Å; A202-V205 PolarHBondContact O-N 3.14Å; V205-A207 VanDerWaalsContact C-N 3.26Å; V205-A207 PolarHBondContact O-N 2.91Å; V205-I208 PolarHBondContact O-N 3.42Å; V205-D209 WeakPolarHBondContact O-CB 3.23Å; V205-D209 PolarHBondContact O-N 3.35Å; V205-W284 HydrophobicContact CB-CZ3 4.45Å; V205-W284 HydrophobicContact CG1-CH2 4.38Å; V205-W284 HydrophobicContact CG1-CZ3 4.36Å; V205-W284 HydrophobicContact CG2-CZ3 4.26Å; V205-L287 HydrophobicContact CG2-CD2 3.48Å; V205-L287 VanDerWaalsContact CG2-CD2 3.48Å; V205-L352 HydrophobicContact CG1-CD1 3.52Å; V205-F355 HydrophobicContact CG1-CB 3.99Å; V205-F355 HydrophobicContact CG1-CD1 4.24Å; V205-F355 HydrophobicContact CG1-CD2 3.74Å; V205-F355 HydrophobicContact CG1-CE2 4.26Å; V205-F355 HydrophobicContact CG1-CG 3.73Å; V205-F355 HydrophobicContact CG2-CD1 3.57Å; V205-F355 HydrophobicContact CG2-CD2 4.42Å; V205-F355 HydrophobicContact CG2-CE1 3.75Å; V205-F355 HydrophobicContact CG2-CG 3.94Å; V205-F355 HydrophobicContact CG2-CZ 4.27Å; V205-F361 HydrophobicContact CG2-CZ 4.4Å; V205-W366 HydrophobicContact CB-CH2 4.37Å; V205-W366 HydrophobicContact CB-CZ3 4.03Å; V205-W366 HydrophobicContact CG1-CH2 4.12Å; V205-W366 HydrophobicContact CG1-CZ3 3.79Å
206L95.9Very high95.3Very high9 Ų918.1 Ų18.15%0.0479%0.085CC..Hα-helixtrans-62.1-33.1177.6-70.3170.9000112.8W155 A202 E203 S210 L352 W366 I369W155-L206 HydrophobicContact CD2-CB 4.14Å; W155-L206 HydrophobicContact CE3-CB 4.42Å; W155-L206 HydrophobicContact CH2-CB 4.22Å; W155-L206 HydrophobicContact CH2-CD1 3.78Å; W155-L206 HydrophobicContact CZ2-CB 3.91Å; W155-L206 HydrophobicContact CZ2-CD1 3.62Å; W155-L206 HydrophobicContact CZ2-CG 4.39Å; W155-L206 HydrophobicContact CZ3-CB 4.44Å; A202-L206 WeakPolarHBondContact O-CG 3.4Å; A202-L206 PolarHBondContact O-N 3.13Å; A202-L206 VanDerWaalsContact O-N 3.13Å; E203-L206 PolarHBondContact O-N 3.38Å; L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.05Å; L206-L352 HydrophobicContact CD2-CD1 3.87Å; L206-L352 HydrophobicContact CD2-CD2 3.88Å; L206-W366 HydrophobicContact CD1-CE3 4.09Å; L206-W366 HydrophobicContact CD2-CE3 4.07Å; L206-W366 HydrophobicContact CG-CE3 3.91Å; L206-W366 HydrophobicContact CG-CZ3 4.27Å; L206-I369 HydrophobicContact CD1-CG2 3.48Å; L206-I369 VanDerWaalsContact CD1-CG2 3.48Å
207A96.4Very high95.2Very high1 Ų117.2 Ų17.21%0.0088%0.08CC..Hα-helixtrans-71.6-46.7176.600000113.1W155 E203 M204 V205 S210 V211 L236W155-A207 HydrophobicContact CB-CB 3.84Å; W155-A207 HydrophobicContact CG-CB 4.47Å; E203-A207 WeakPolarHBondContact O-CB 3.09Å; E203-A207 PolarHBondContact O-N 3.33Å; M204-A207 PolarHBondContact O-N 3.06Å; V205-A207 VanDerWaalsContact C-N 3.26Å; V205-A207 PolarHBondContact O-N 2.91Å; A207-S210 WeakPolarHBondContact O-CB 3.33Å; A207-S210 PolarHBondContact O-N 2.73Å; A207-S210 VanDerWaalsContact O-N 3.14Å; A207-S210 PolarHBondContact O-OG 3.41Å; A207-V211 PolarHBondContact O-N 2.89Å; A207-L236 HydrophobicContact CB-CB 4.02Å; A207-L236 HydrophobicContact CB-CD2 4.23Å
208I96.7Very high95.1Very high2 Ų217.2 Ų17.21%0.018%0.081CC..Hα-helixtrans-62.8-48176.4-66164000109.9M204 V205 S210 V211 H212 V221 L236 D283 W284 L287M204-I208 WeakPolarHBondContact O-CB 3.22Å; M204-I208 WeakPolarHBondContact O-CD1 3.29Å; M204-I208 VanDerWaalsContact O-CG1 3.25Å; M204-I208 WeakPolarHBondContact O-CG1 3.09Å; M204-I208 PolarHBondContact O-N 3.02Å; V205-I208 PolarHBondContact O-N 3.42Å; I208-S210 PolarHBondContact O-N 3.18Å; I208-V211 WeakPolarHBondContact O-CA 3.02Å; I208-V211 WeakPolarHBondContact O-CB 3.31Å; I208-V211 PolarHBondContact O-N 3.17Å; I208-H212 WeakPolarHBondContact CG2-CE1 3.24Å; I208-H212 WeakPolarHBondContact CG2-NE2 3.41Å; I208-H212 PolarHBondContact O-CD2 3.13Å; I208-H212 PolarHBondContact O-N 3.26Å; I208-V221 HydrophobicContact CD1-CG1 3.98Å; I208-V221 HydrophobicContact CD1-CG2 4.26Å; I208-V221 HydrophobicContact CG1-CG2 4.22Å; I208-L236 HydrophobicContact CG1-CD2 4.29Å; I208-D283 HydrophobicContact CG2-CB 3.77Å; I208-W284 HydrophobicContact CB-CH2 3.88Å; I208-W284 HydrophobicContact CB-CZ3 3.77Å; I208-W284 HydrophobicContact CD1-CE3 4.4Å; I208-W284 HydrophobicContact CD1-CZ3 4.15Å; I208-W284 HydrophobicContact CG2-CD2 4.31Å; I208-W284 HydrophobicContact CG2-CE3 3.92Å; I208-W284 HydrophobicContact CG2-CH2 3.57Å; I208-W284 HydrophobicContact CG2-CZ2 3.96Å; I208-W284 HydrophobicContact CG2-CZ3 3.55Å; I208-L287 HydrophobicContact CD1-CB 4.02Å; I208-L287 HydrophobicContact CD1-CD1 3.99Å; I208-L287 HydrophobicContact CD1-CD2 4.4Å; I208-L287 HydrophobicContact CD1-CG 4.36Å
209D94.8Very high94.9Very high4 Ų414.8 Ų14.82%0.0217%0.071CC..Hα-helixtrans-57.7-31.4172.6172.236.1000112.4V205 R213 W284V205-D209 WeakPolarHBondContact O-CB 3.23Å; V205-D209 PolarHBondContact O-N 3.35Å; D209-R213 VanDerWaalsContact CG-NH1 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.49Å; D209-R213 VanDerWaalsContact O-CG 3.29Å; D209-R213 WeakPolarHBondContact O-CG 3.33Å; D209-R213 PolarHBondContact O-N 2.98Å; D209-R213 PolarHBondContact O-NE 3.29Å; D209-R213 IonicContact OD1-CZ 2.77Å; D209-R213 IonicContact OD1-NE 2.67Å; D209-R213 PolarHBondContact OD1-NE 3.07Å; D209-R213 IonicContact OD1-NH1 2.63Å; D209-R213 PolarHBondContact OD1-NH1 3.25Å; D209-R213 IonicContact OD1-NH2 3.8Å; D209-R213 IonicContact OD2-CZ 2.67Å; D209-R213 IonicContact OD2-NE 2.96Å; D209-R213 IonicContact OD2-NH1 3.67Å; D209-R213 PolarHBondContact OD2-NH1 2.79Å; D209-R213 IonicContact OD2-NH2 2.63Å; D209-R213 PolarHBondContact OD2-NH2 2.96Å; D209-W284 HydrophobicContact CB-CH2 4.16Å
210S94.5Very high94.7Very high9 Ų914.3 Ų14.36%0.0637%0.07CC..Hα-helixtrans-68.1-32.9172.185.10000113.7L206 A207 I208 L214L206-S210 WeakPolarHBondContact O-CB 3.49Å; L206-S210 PolarHBondContact O-N 3.05Å; A207-S210 WeakPolarHBondContact O-CB 3.33Å; A207-S210 PolarHBondContact O-N 2.73Å; A207-S210 VanDerWaalsContact O-N 3.14Å; A207-S210 PolarHBondContact O-OG 3.41Å; I208-S210 PolarHBondContact O-N 3.18Å; S210-L214 PolarHBondContact O-N 2.89Å
211V95Very high94.6Very high2 Ų214.3 Ų14.31%0.0127%0.07CC..Hα-helixtrans-78.5-41.5175.5-179.90000110.5V147 I156 A207 I208 L214 G215 Y216 L236 F239V147-V211 HydrophobicContact CG1-CG2 4.34Å; I156-V211 HydrophobicContact CG2-CG2 4.22Å; A207-V211 PolarHBondContact O-N 2.89Å; I208-V211 WeakPolarHBondContact O-CA 3.02Å; I208-V211 WeakPolarHBondContact O-CB 3.31Å; I208-V211 PolarHBondContact O-N 3.17Å; V211-L214 WeakPolarHBondContact O-CB 3.27Å; V211-L214 PolarHBondContact O-N 3.17Å; V211-L214 VanDerWaalsContact O-N 3.13Å; V211-G215 PolarHBondContact O-N 3.48Å; V211-Y216 CarbonylContact C-O 3.51Å; V211-Y216 PolarHBondContact O-N 3.12Å; V211-Y216 VanDerWaalsContact O-N 3.16Å; V211-L236 HydrophobicContact CG2-CD2 4.09Å; V211-F239 HydrophobicContact CG2-CD1 4.47Å; V211-F239 HydrophobicContact CG2-CE1 3.9Å
212H94.3Very high94.4Very high24 Ų2415.2 Ų15.211%0.1117%0.073CC..Hα-helixtrans-61.5-45.7177-67.5-177.9000111.9I208 L214 G215 Y216 A280 D283 W284I208-H212 WeakPolarHBondContact CG2-CE1 3.24Å; I208-H212 WeakPolarHBondContact CG2-NE2 3.41Å; I208-H212 PolarHBondContact O-CD2 3.13Å; I208-H212 PolarHBondContact O-N 3.26Å; H212-L214 PolarHBondContact O-N 2.98Å; H212-G215 WeakPolarHBondContact O-CA 3.47Å; H212-G215 PolarHBondContact O-N 3.25Å; H212-Y216 WeakPolarHBondContact CA-O 3.45Å; H212-Y216 PolarHBondContact CD2-O 3.26Å; H212-A280 PolarHBondContact CE1-O 3.31Å; H212-D283 IonicContact CD2-OD2 2.91Å; H212-D283 IonicContact CE1-OD2 3.87Å; H212-D283 IonicContact NE2-OD2 2.74Å; H212-D283 PolarHBondContact NE2-OD2 2.93Å; H212-W284 AromaticContact CE1-CE2 3.56Å; H212-W284 AromaticContact CE1-CZ2 3.71Å; H212-W284 AromaticContact CE1-NE1 3.6Å; H212-W284 AromaticContact ND1-CE2 3.59Å; H212-W284 AromaticContact ND1-CZ2 3.39Å; H212-W284 WeakPolarHBondContact ND1-CZ2 3.28Å; H212-W284 AromaticContact ND1-NE1 3.65Å
213R91.7Very high94.3Very high144 Ų14415.2 Ų15.254%0.5437%0.073SC..Hα-helixtrans-65.6-22.1174.4-73.3-178.2-62-130.8-13.6114.4D209 G215D209-R213 VanDerWaalsContact CG-NH1 3.26Å; D209-R213 WeakPolarHBondContact O-CB 3.49Å; D209-R213 VanDerWaalsContact O-CG 3.29Å; D209-R213 WeakPolarHBondContact O-CG 3.33Å; D209-R213 PolarHBondContact O-N 2.98Å; D209-R213 PolarHBondContact O-NE 3.29Å; D209-R213 IonicContact OD1-CZ 2.77Å; D209-R213 IonicContact OD1-NE 2.67Å; D209-R213 PolarHBondContact OD1-NE 3.07Å; D209-R213 IonicContact OD1-NH1 2.63Å; D209-R213 PolarHBondContact OD1-NH1 3.25Å; D209-R213 IonicContact OD1-NH2 3.8Å; D209-R213 IonicContact OD2-CZ 2.67Å; D209-R213 IonicContact OD2-NE 2.96Å; D209-R213 IonicContact OD2-NH1 3.67Å; D209-R213 PolarHBondContact OD2-NH1 2.79Å; D209-R213 IonicContact OD2-NH2 2.63Å; D209-R213 PolarHBondContact OD2-NH2 2.96Å; R213-G215 PolarHBondContact O-N 3.32Å
214L90.6Very high93.9Very high52 Ų5218.1 Ų18.127%0.2729%0.089SC..THydrogen-bonded Turntrans-75.8-8.8170.7-165.565000112V147 F150 S210 V211 H212 Y216V147-L214 HydrophobicContact CB-CD2 4.34Å; V147-L214 HydrophobicContact CG1-CD2 4.47Å; V147-L214 HydrophobicContact CG2-CD2 4.17Å; F150-L214 HydrophobicContact CB-CD1 3.89Å; F150-L214 HydrophobicContact CB-CD2 4.37Å; S210-L214 PolarHBondContact O-N 2.89Å; V211-L214 WeakPolarHBondContact O-CB 3.27Å; V211-L214 PolarHBondContact O-N 3.17Å; V211-L214 VanDerWaalsContact O-N 3.13Å; H212-L214 PolarHBondContact O-N 2.98Å; L214-Y216 HydrophobicContact CB-CD2 4.14Å; L214-Y216 HydrophobicContact CD2-CD2 4.14Å; L214-Y216 HydrophobicContact CD2-CE2 4.31Å; L214-Y216 HydrophobicContact CG-CD2 3.93Å; L214-Y216 HydrophobicContact CG-CE2 4.07Å; L214-Y216 WeakPolarHBondContact O-CD2 3.09Å
215G91.8Very high93.8Very high23 Ų2318.6 Ų18.624%0.2379%0.092CC..THydrogen-bonded Turntrans86.729.1-178.300000113.5V211 H212 R213 K244 L245V211-G215 PolarHBondContact O-N 3.48Å; H212-G215 WeakPolarHBondContact O-CA 3.47Å; H212-G215 PolarHBondContact O-N 3.25Å; R213-G215 PolarHBondContact O-N 3.32Å; G215-K244 CarbonylContact O-C 3.6Å; G215-K244 WeakPolarHBondContact O-CA 3.38Å; G215-K244 WeakPolarHBondContact O-CG 3.44Å; G215-L245 PolarHBondContact O-N 3.27Å
216Y93.3Very high93.7Very high11 Ų1118.6 Ų18.64%0.0439%0.092CC..EExtended strand (participates in β ladder)trans-126.8153.7178.4-66.1-99.1000111.5E143 V147 V211 H212 L214 L243 K244E143-Y216 HydrophobicContact CB-CD1 4.16Å; E143-Y216 HydrophobicContact CB-CE1 3.93Å; E143-Y216 HydrophobicContact CG-CD1 4.45Å; E143-Y216 HydrophobicContact CG-CE1 4.05Å; V147-Y216 HydrophobicContact CG2-CD1 3.96Å; V147-Y216 HydrophobicContact CG2-CD2 3.93Å; V147-Y216 HydrophobicContact CG2-CE1 4.41Å; V147-Y216 HydrophobicContact CG2-CE2 4.4Å; V147-Y216 HydrophobicContact CG2-CG 3.72Å; V211-Y216 CarbonylContact C-O 3.51Å; V211-Y216 PolarHBondContact O-N 3.12Å; V211-Y216 VanDerWaalsContact O-N 3.16Å; H212-Y216 WeakPolarHBondContact CA-O 3.45Å; H212-Y216 PolarHBondContact CD2-O 3.26Å; L214-Y216 HydrophobicContact CB-CD2 4.14Å; L214-Y216 HydrophobicContact CD2-CD2 4.14Å; L214-Y216 HydrophobicContact CD2-CE2 4.31Å; L214-Y216 HydrophobicContact CG-CD2 3.93Å; L214-Y216 HydrophobicContact CG-CE2 4.07Å; L214-Y216 WeakPolarHBondContact O-CD2 3.09Å; Y216-L243 CarbonylContact C-O 3.59Å; Y216-L243 WeakPolarHBondContact CA-O 3.09Å; Y216-K244 HydrophobicContact CD1-CB 4.02Å; Y216-K244 HydrophobicContact CD1-CG 4.42Å; Y216-K244 HydrophobicContact CE1-CB 3.74Å; Y216-K244 HydrophobicContact CE1-CD 4.28Å; Y216-K244 HydrophobicContact CE1-CG 4.04Å; Y216-K244 HydrophobicContact CE2-CG 4.45Å; Y216-K244 PolarHBondContact OH-NZ 3.43Å
217V93.4Very high93.8Very high0 Ų019.3 Ų19.30%010%0.096CC..EExtended strand (participates in β ladder)trans-114.6139.8168.357.60000108.9R219 C242 L243 L245 A251 C282 D283V217-R219 HydrophobicContact CB-CG 4.47Å; V217-R219 HydrophobicContact CG1-CG 3.97Å; V217-R219 HydrophobicContact CG2-CG 3.94Å; V217-C242 CarbonylContact O-C 3.57Å; V217-C242 WeakPolarHBondContact O-CA 3.2Å; V217-L243 HydrophobicContact CG1-CB 4.19Å; V217-L243 PolarHBondContact N-O 2.82Å; V217-L243 PolarHBondContact O-N 3.01Å; V217-L245 HydrophobicContact CB-CD2 3.89Å; V217-L245 HydrophobicContact CB-CG 4.44Å; V217-L245 HydrophobicContact CG1-CD2 3.72Å; V217-A251 HydrophobicContact CG1-CB 3.97Å; V217-C282 WeakPolarHBondContact CG2-SG 3.5Å; V217-D283 WeakPolarHBondContact CG2-OD2 3.33Å
218H93.1Very high93.7Very high1 Ų119.3 Ų19.31%0.00510%0.095CC..  trans-80.7-46-169.9-160.6-69.4000113.5D220 V221 A237 D238 F239 S241 D283H218-D220 PolarHBondContact O-N 3.31Å; H218-V221 HydrophobicContact CB-CG2 3.91Å; H218-A237 PolarHBondContact CE1-O 2.7Å; H218-A237 VanDerWaalsContact CE1-O 3.27Å; H218-A237 PolarHBondContact NE2-O 3.38Å; H218-D238 PolarHBondContact CE1-O 2.68Å; H218-F239 AromaticContact CD2-CD1 3.52Å; H218-F239 AromaticContact CD2-CE1 3.65Å; H218-F239 AromaticContact NE2-CD1 3.35Å; H218-F239 WeakPolarHBondContact NE2-CD1 3.43Å; H218-F239 AromaticContact NE2-CE1 3.49Å; H218-F239 WeakPolarHBondContact NE2-CE1 3.43Å; H218-S241 CarbonylContact O-C 3.6Å; H218-S241 WeakPolarHBondContact O-CB 3.41Å; H218-D283 WeakPolarHBondContact CB-OD2 3.5Å; H218-D283 PolarHBondContact N-OD1 3.43Å; H218-D283 PolarHBondContact N-OD2 3.31Å
219R92Very high93.5Very high5 Ų520.3 Ų20.32%0.01910%0.101CC..SBendtrans61.817.5178.2-43.1-172.1-63152.81.6115.9V217 S241 S253 V257 Y278 D283V217-R219 HydrophobicContact CB-CG 4.47Å; V217-R219 HydrophobicContact CG1-CG 3.97Å; V217-R219 HydrophobicContact CG2-CG 3.94Å; R219-S241 PolarHBondContact NE-O 2.79Å; R219-S241 PolarHBondContact NH2-O 2.92Å; R219-S253 PolarHBondContact NH1-OG 3.34Å; R219-S253 VanDerWaalsContact NH1-OG 3.14Å; R219-V257 HydrophobicContact CB-CG2 3.97Å; R219-V257 VanDerWaalsContact CZ-CG2 3.42Å; R219-Y278 WeakPolarHBondContact CD-OH 3.14Å; R219-Y278 HydrophobicContact CG-CE2 4.14Å; R219-Y278 PolarHBondContact NH1-OH 2.79Å; R219-D283 PolarHBondContact N-OD1 2.82Å
220D92.1Very high93.4Very high9 Ų925.1 Ų25.15%0.04813%0.125CC..  trans-16147.2178-163.828.9000110.8H218 K222 N225 G258 T259H218-D220 PolarHBondContact O-N 3.31Å; D220-K222 IonicContact OD1-NZ 3.31Å; D220-K222 PolarHBondContact OD1-NZ 2.69Å; D220-K222 IonicContact OD2-NZ 2.68Å; D220-K222 PolarHBondContact OD2-NZ 2.87Å; D220-N225 PolarHBondContact O-ND2 2.77Å; D220-N225 PolarHBondContact OD2-ND2 2.86Å; D220-G258 WeakPolarHBondContact OD1-CA 3.45Å; D220-T259 PolarHBondContact OD1-N 3.45Å; D220-T259 VanDerWaalsContact OD1-N 3.11Å
221V95.3Very high93.3Very high0 Ų028.4 Ų28.40%014%0.142CC..  trans-79.8122.2174.2177.60000108.4M204 I208 H218 D283 S286M204-V221 HydrophobicContact CE-CG1 3.92Å; I208-V221 HydrophobicContact CD1-CG1 3.98Å; I208-V221 HydrophobicContact CD1-CG2 4.26Å; I208-V221 HydrophobicContact CG1-CG2 4.22Å; H218-V221 HydrophobicContact CB-CG2 3.91Å; V221-D283 HydrophobicContact CG2-CB 4.03Å; V221-S286 WeakPolarHBondContact O-CB 3.25Å
222K93.7Very high93.2Very high19 Ų1928.3 Ų28.38%0.08314%0.142CC..SBendtrans-166.3162.3-176.760.5-176-172-134.50110.1D220 D224 N225 V226 T259 Y262D220-K222 IonicContact OD1-NZ 3.31Å; D220-K222 PolarHBondContact OD1-NZ 2.69Å; D220-K222 IonicContact OD2-NZ 2.68Å; D220-K222 PolarHBondContact OD2-NZ 2.87Å; K222-D224 VanDerWaalsContact C-N 3.31Å; K222-D224 WeakPolarHBondContact CD-OD2 2.86Å; K222-D224 WeakPolarHBondContact CE-OD2 3.01Å; K222-D224 HydrophobicContact CG-CB 4.39Å; K222-D224 WeakPolarHBondContact CG-OD2 3.44Å; K222-D224 PolarHBondContact O-N 2.83Å; K222-N225 WeakPolarHBondContact CE-ND2 3.37Å; K222-N225 HydrophobicContact CG-CB 4.1Å; K222-N225 PolarHBondContact O-N 3.38Å; K222-V226 WeakPolarHBondContact O-CG2 3.47Å; K222-T259 WeakPolarHBondContact CD-OG1 3.44Å; K222-T259 WeakPolarHBondContact CE-OG1 3.22Å; K222-T259 PolarHBondContact NZ-OG1 3.12Å; K222-Y262 HydrophobicContact CB-CD1 3.92Å; K222-Y262 HydrophobicContact CB-CD2 3.8Å; K222-Y262 HydrophobicContact CB-CE1 3.99Å; K222-Y262 HydrophobicContact CB-CE2 3.84Å; K222-Y262 HydrophobicContact CB-CG 3.85Å
223P93.7Very high93.3Very high0 Ų027.6 Ų27.60%014%0.138CC..G310 helixtrans-57.3-34.1-176.6-27.136.5000115.4L181 L182 L185 N225 V226 Y262 E293L181-P223 HydrophobicContact CB-CB 4.04Å; L181-P223 WeakPolarHBondContact CB-O 3.32Å; L181-P223 HydrophobicContact CD2-CB 4.11Å; L181-P223 HydrophobicContact CD2-CG 4.41Å; L181-P223 HydrophobicContact CG-CB 4Å; L181-P223 PolarHBondContact N-O 2.68Å; L182-P223 HydrophobicContact CB-CB 3.89Å; L182-P223 PolarHBondContact N-O 3.11Å; L185-P223 HydrophobicContact CD1-CB 3.89Å; L185-P223 HydrophobicContact CD1-CG 3.78Å; P223-N225 PolarHBondContact O-N 3.4Å; P223-V226 PolarHBondContact O-N 2.79Å; P223-V226 VanDerWaalsContact O-N 3.16Å; P223-Y262 VanDerWaalsContact CD-CE1 3.48Å; P223-Y262 WeakPolarHBondContact CD-OH 3Å; P223-Y262 HydrophobicContact CG-CE1 4.4Å; P223-E293 WeakPolarHBondContact CG-OE2 3.11Å
224D90Very high93.6Very high62 Ų6220.8 Ų20.833%0.33211%0.113SC..G310 helixtrans-58.7-33.9175.8-19.9-153.7000112K222K222-D224 VanDerWaalsContact C-N 3.31Å; K222-D224 WeakPolarHBondContact CD-OD2 2.86Å; K222-D224 WeakPolarHBondContact CE-OD2 3.01Å; K222-D224 HydrophobicContact CG-CB 4.39Å; K222-D224 WeakPolarHBondContact CG-OD2 3.44Å; K222-D224 PolarHBondContact O-N 2.83Å
225N93.9Very high93.8Very high13 Ų1319 Ų197%0.0710%0.102CC..G310 helixtrans-935.2-175.6-73.7-12.5000112.5D220 K222 P223 L236 A237 D238D220-N225 PolarHBondContact O-ND2 2.77Å; D220-N225 PolarHBondContact OD2-ND2 2.86Å; K222-N225 WeakPolarHBondContact CE-ND2 3.37Å; K222-N225 HydrophobicContact CG-CB 4.1Å; K222-N225 PolarHBondContact O-N 3.38Å; P223-N225 PolarHBondContact O-N 3.4Å; N225-L236 CarbonylContact O-C 3.41Å; N225-A237 WeakPolarHBondContact CB-O 3.17Å; N225-A237 WeakPolarHBondContact O-CB 3.42Å; N225-A237 PolarHBondContact O-N 3.17Å; N225-D238 WeakPolarHBondContact OD1-CB 3.32Å
226V96.5Very high94.1Very high0 Ų018 Ų180%09%0.092CC..EExtended strand (participates in β ladder)trans-110.790.2177.8178.30000108.2D180 L181 M204 K222 P223 V234 L236D180-V226 CarbonylContact C-O 3.45Å; D180-V226 WeakPolarHBondContact CA-O 3.3Å; L181-V226 HydrophobicContact CB-CB 3.81Å; L181-V226 HydrophobicContact CB-CG1 3.9Å; L181-V226 WeakPolarHBondContact CB-O 3.46Å; L181-V226 HydrophobicContact CD2-CB 4.1Å; L181-V226 HydrophobicContact CD2-CG1 3.96Å; L181-V226 HydrophobicContact CD2-CG2 4.46Å; L181-V226 PolarHBondContact N-O 3.46Å; M204-V226 HydrophobicContact CE-CG2 3.8Å; M204-V226 HydrophobicContact CG-CG1 4.05Å; M204-V226 HydrophobicContact CG-CG2 4.22Å; M204-V226 HydrophobicContact SD-CG1 4.14Å; M204-V226 HydrophobicContact SD-CG2 4Å; K222-V226 WeakPolarHBondContact O-CG2 3.47Å; P223-V226 PolarHBondContact O-N 2.79Å; P223-V226 VanDerWaalsContact O-N 3.16Å; V226-V234 HydrophobicContact CG1-CB 4.41Å; V226-V234 HydrophobicContact CG1-CG1 3.75Å; V226-V234 HydrophobicContact CG1-CG2 3.98Å; V226-L236 HydrophobicContact CG2-CD1 4.44Å
227L96.4Very high94.1Very high25 Ų2518 Ų1813%0.1319%0.094CC..EExtended strand (participates in β ladder)trans-81.1156.2-177.7-53.6-175.3000112.1T157 Y176 G179 D180 V234 K235 A237 F389T157-L227 HydrophobicContact CG2-CD1 3.87Å; Y176-L227 HydrophobicContact CD2-CD1 3.89Å; Y176-L227 HydrophobicContact CG-CB 4.33Å; Y176-L227 HydrophobicContact CG-CD1 4.37Å; G179-L227 CarbonylContact O-C 3.16Å; G179-L227 VanDerWaalsContact O-CA 3.3Å; G179-L227 WeakPolarHBondContact O-CA 3.28Å; D180-L227 HydrophobicContact CB-CD2 3.77Å; L227-V234 CarbonylContact O-C 3.55Å; L227-V234 WeakPolarHBondContact O-CA 3.39Å; L227-K235 HydrophobicContact CB-CB 4.24Å; L227-K235 WeakPolarHBondContact CB-O 3.5Å; L227-K235 PolarHBondContact N-O 3.02Å; L227-K235 PolarHBondContact O-N 2.82Å; L227-A237 HydrophobicContact CD1-CB 3.77Å; L227-A237 HydrophobicContact CG-CB 3.75Å; L227-F389 HydrophobicContact CD2-CE1 4.18Å
228L95.3Very high93.9Very high1 Ų119.4 Ų19.41%0.00510%0.101CC..EExtended strand (participates in β ladder)trans-112.3127.4178.9-58.2176.9000110.9G178 G179 L184 Y200 H233 P378G178-L228 VanDerWaalsContact CA-O 3.29Å; G178-L228 WeakPolarHBondContact CA-O 3.07Å; G178-L228 PolarHBondContact N-O 3.14Å; G179-L228 PolarHBondContact O-N 3.33Å; L184-L228 HydrophobicContact CB-CD1 4.03Å; L184-L228 HydrophobicContact CD2-CD1 3.79Å; L184-L228 HydrophobicContact CG-CD1 4.41Å; Y200-L228 HydrophobicContact CD1-CD2 4.5Å; Y200-L228 HydrophobicContact CE1-CD2 3.89Å; L228-H233 WeakPolarHBondContact CA-O 3.05Å; L228-P378 HydrophobicContact CB-CG 4.27Å
229D92.8Very high93.9Very high23 Ų2319.4 Ų19.412%0.12310%0.101CC..  trans-78.9176.3172.675.830.9000113.2Y176 N231 G232 H233 K235Y176-D229 HydrophobicContact CD1-CB 3.93Å; Y176-D229 HydrophobicContact CE1-CB 4.23Å; D229-N231 PolarHBondContact O-N 3.31Å; D229-N231 PolarHBondContact OD1-N 2.78Å; D229-G232 PolarHBondContact O-N 2.61Å; D229-G232 PolarHBondContact OD1-N 3.45Å; D229-H233 PolarHBondContact N-O 3.3Å; D229-H233 IonicContact OD1-CD2 3.71Å; D229-H233 PolarHBondContact OD1-N 3.05Å; D229-K235 HydrophobicContact CB-CG 4.39Å
230I92.3Very high93.6Very high104 Ų10419.2 Ų19.253%0.53310%0.101SC..THydrogen-bonded Turntrans-62-12.8-175.163.2171.3000114.6V177 K377 I380V177-I230 HydrophobicContact CG1-CG2 3.74Å; I230-K377 WeakPolarHBondContact O-CE 3.37Å; I230-I380 HydrophobicContact CB-CD1 4.22Å; I230-I380 HydrophobicContact CG2-CD1 4.1Å
231N92.3Very high93.4Very high78 Ų7818.9 Ų18.942%0.41710%0.1SC..THydrogen-bonded Turntrans-102.7-6.9175.5-69.9-37000112.4D229 K377D229-N231 PolarHBondContact O-N 3.31Å; D229-N231 PolarHBondContact OD1-N 2.78Å; N231-K377 PolarHBondContact OD1-NZ 2.72Å
232G93.4Very high93.2Very high0 Ų018.9 Ų18.90%010%0.1CC..SBendtrans98.18.5-18000000115.2Y200 D229 Y376Y200-G232 WeakPolarHBondContact CE1-O 3.49Å; Y200-G232 PolarHBondContact OH-O 3.42Å; D229-G232 PolarHBondContact O-N 2.61Å; D229-G232 PolarHBondContact OD1-N 3.45Å; G232-Y376 VanDerWaalsContact CA-O 3.28Å; G232-Y376 WeakPolarHBondContact CA-O 3.16Å
233H96.6Very high93Very high10 Ų1019.5 Ų19.55%0.04610%0.104CC..  trans-91.8152.3-177.9-63.4-106.8000113.2F199 E203 L228 D229 A372F199-H233 AromaticContact CZ-CE1 3.88Å; F199-H233 AromaticContact CZ-ND1 3.69Å; E203-H233 IonicContact OE1-CE1 2.74Å; E203-H233 IonicContact OE1-CG 3.96Å; E203-H233 IonicContact OE1-ND1 3.01Å; E203-H233 PolarHBondContact OE1-ND1 2.86Å; E203-H233 VanDerWaalsContact OE2-CA 3.31Å; E203-H233 WeakPolarHBondContact OE2-CA 3.48Å; E203-H233 WeakPolarHBondContact OE2-CB 3.11Å; E203-H233 IonicContact OE2-CG 2.71Å; E203-H233 IonicContact OE2-ND1 3.27Å; L228-H233 WeakPolarHBondContact CA-O 3.05Å; D229-H233 PolarHBondContact N-O 3.3Å; D229-H233 IonicContact OD1-CD2 3.71Å; D229-H233 PolarHBondContact OD1-N 3.05Å; H233-A372 PolarHBondContact CE1-O 3.39Å; H233-A372 PolarHBondContact NE2-O 2.86Å
234V96.4Very high92.8Very high0 Ų025.5 Ų25.50%013%0.13CC..EExtended strand (participates in β ladder)trans-64.6140.3-178.3172.60000113.3Y200 E203 M204 V226 L227 K370Y200-V234 HydrophobicContact CD1-CG2 3.8Å; E203-V234 HydrophobicContact CB-CB 3.87Å; E203-V234 HydrophobicContact CB-CG2 3.76Å; E203-V234 WeakPolarHBondContact OE2-CB 3.45Å; E203-V234 PolarHBondContact OE2-N 3.38Å; M204-V234 HydrophobicContact CG-CG1 4.27Å; M204-V234 HydrophobicContact CG-CG2 4.44Å; V226-V234 HydrophobicContact CG1-CB 4.41Å; V226-V234 HydrophobicContact CG1-CG1 3.75Å; V226-V234 HydrophobicContact CG1-CG2 3.98Å; L227-V234 CarbonylContact O-C 3.55Å; L227-V234 WeakPolarHBondContact O-CA 3.39Å; V234-K370 PolarHBondContact O-NZ 2.79Å
235K96.6Very high92.9Very high14 Ų1424.2 Ų24.26%0.06112%0.123CC..EExtended strand (participates in β ladder)trans-136.6104.9166.9-63-67.2-175.7-173.30109.3R153 R154 W155 T157 Y176 L227 D229R153-K235 PolarHBondContact O-NZ 3.18Å; R154-K235 VanDerWaalsContact C-NZ 3.32Å; R154-K235 PolarHBondContact O-NZ 2.9Å; W155-K235 CarbonylContact O-C 3.46Å; W155-K235 WeakPolarHBondContact O-CA 3.41Å; T157-K235 HydrophobicContact CG2-CB 4.37Å; Y176-K235 HydrophobicContact CD1-CB 4.44Å; Y176-K235 HydrophobicContact CD1-CG 3.87Å; Y176-K235 HydrophobicContact CE1-CB 4.35Å; Y176-K235 HydrophobicContact CE1-CD 4.09Å; Y176-K235 HydrophobicContact CE1-CG 3.59Å; Y176-K235 HydrophobicContact CG-CG 4.47Å; L227-K235 HydrophobicContact CB-CB 4.24Å; L227-K235 WeakPolarHBondContact CB-O 3.5Å; L227-K235 PolarHBondContact N-O 3.02Å; L227-K235 PolarHBondContact O-N 2.82Å; D229-K235 HydrophobicContact CB-CG 4.39Å
236L96.8Very high92.6Very high4 Ų426.9 Ų26.92%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-64.6139.6175.1-172.360.1000110.1W155 T157 A207 I208 V211 N225 V226 F239W155-L236 PolarHBondContact O-N 3Å; T157-L236 PolarHBondContact N-O 2.79Å; T157-L236 VanDerWaalsContact N-O 3.08Å; A207-L236 HydrophobicContact CB-CB 4.02Å; A207-L236 HydrophobicContact CB-CD2 4.23Å; I208-L236 HydrophobicContact CG1-CD2 4.29Å; V211-L236 HydrophobicContact CG2-CD2 4.09Å; N225-L236 CarbonylContact O-C 3.41Å; V226-L236 HydrophobicContact CG2-CD1 4.44Å; L236-F239 HydrophobicContact CB-CE1 4.39Å; L236-F239 HydrophobicContact CB-CZ 4.25Å; L236-F239 HydrophobicContact CD2-CE1 4.13Å; L236-F239 HydrophobicContact CG-CE1 3.9Å; L236-F239 HydrophobicContact CG-CZ 4.22Å; L236-F239 WeakPolarHBondContact O-CE2 3.48Å; L236-F239 WeakPolarHBondContact O-CZ 3.07Å
237A93.5Very high92.1Very high10 Ų1034 Ų348%0.08318%0.181CC..  trans-142.8173.4-168.300000112.7T157 H218 N225 L227T157-A237 HydrophobicContact CG2-CB 3.63Å; H218-A237 PolarHBondContact CE1-O 2.7Å; H218-A237 VanDerWaalsContact CE1-O 3.27Å; H218-A237 PolarHBondContact NE2-O 3.38Å; N225-A237 WeakPolarHBondContact CB-O 3.17Å; N225-A237 WeakPolarHBondContact O-CB 3.42Å; N225-A237 PolarHBondContact O-N 3.17Å; L227-A237 HydrophobicContact CD1-CB 3.77Å; L227-A237 HydrophobicContact CG-CB 3.75Å
238D89.4Confident91.6Very high29 Ų2937.1 Ų37.116%0.15520%0.198CC..  trans45.261.9-171.7-155.7-5.7000114.9F108 K125 H218 N225 G240F108-D238 WeakPolarHBondContact CE1-OD2 3.42Å; F108-D238 WeakPolarHBondContact CZ-OD2 3.19Å; K125-D238 IonicContact NZ-OD1 3.26Å; K125-D238 PolarHBondContact NZ-OD1 2.82Å; K125-D238 IonicContact NZ-OD2 3.64Å; H218-D238 PolarHBondContact CE1-O 2.68Å; N225-D238 WeakPolarHBondContact OD1-CB 3.32Å; D238-G240 PolarHBondContact O-N 2.65Å; D238-G240 WeakPolarHBondContact OD1-CA 2.97Å; D238-G240 PolarHBondContact OD1-N 2.91Å
239F92.4Very high91.2Very high1 Ų138.9 Ų38.90%0.00422%0.216CC..G310 helixtrans-62.89166-51.5-67.8000113.6E144 V147 L148 I156 V211 H218 L236 S241 C242E144-F239 HydrophobicContact CB-CB 4.19Å; E144-F239 HydrophobicContact CG-CB 4.13Å; V147-F239 HydrophobicContact CB-CB 4.34Å; V147-F239 HydrophobicContact CB-CD1 4.44Å; V147-F239 HydrophobicContact CB-CG 4.19Å; V147-F239 HydrophobicContact CG1-CB 4.31Å; V147-F239 HydrophobicContact CG1-CD1 3.57Å; V147-F239 HydrophobicContact CG1-CD2 4.01Å; V147-F239 HydrophobicContact CG1-CE1 3.85Å; V147-F239 HydrophobicContact CG1-CE2 4.27Å; V147-F239 HydrophobicContact CG1-CG 3.66Å; V147-F239 HydrophobicContact CG1-CZ 4.2Å; L148-F239 HydrophobicContact CD2-CD2 3.73Å; L148-F239 HydrophobicContact CD2-CE2 3.77Å; L148-F239 HydrophobicContact CG-CD2 3.87Å; L148-F239 HydrophobicContact CG-CE2 4.38Å; I156-F239 HydrophobicContact CB-CE2 3.9Å; I156-F239 HydrophobicContact CB-CZ 3.52Å; I156-F239 HydrophobicContact CG2-CE1 4.01Å; I156-F239 HydrophobicContact CG2-CE2 4.27Å; I156-F239 HydrophobicContact CG2-CZ 3.45Å; I156-F239 VanDerWaalsContact CG2-CZ 3.45Å; V211-F239 HydrophobicContact CG2-CD1 4.47Å; V211-F239 HydrophobicContact CG2-CE1 3.9Å; H218-F239 AromaticContact CD2-CD1 3.52Å; H218-F239 AromaticContact CD2-CE1 3.65Å; H218-F239 AromaticContact NE2-CD1 3.35Å; H218-F239 WeakPolarHBondContact NE2-CD1 3.43Å; H218-F239 AromaticContact NE2-CE1 3.49Å; H218-F239 WeakPolarHBondContact NE2-CE1 3.43Å; L236-F239 HydrophobicContact CB-CE1 4.39Å; L236-F239 HydrophobicContact CB-CZ 4.25Å; L236-F239 HydrophobicContact CD2-CE1 4.13Å; L236-F239 HydrophobicContact CG-CE1 3.9Å; L236-F239 HydrophobicContact CG-CZ 4.22Å; L236-F239 WeakPolarHBondContact O-CE2 3.48Å; L236-F239 WeakPolarHBondContact O-CZ 3.07Å; F239-S241 PolarHBondContact O-N 2.74Å; F239-S241 VanDerWaalsContact O-N 3.12Å; F239-C242 HydrophobicContact CB-CB 4.48Å; F239-C242 VanDerWaalsContact O-CB 3.24Å; F239-C242 WeakPolarHBondContact O-CB 3.43Å; F239-C242 PolarHBondContact O-N 3.38Å
240G86.1Confident91.1Very high1 Ų139.2 Ų39.21%0.0122%0.219CC..G310 helixtrans-65-13.5-177.700000115.2Q106 C140 E144 D238Q106-G240 PolarHBondContact NE2-O 3.13Å; C140-G240 WeakPolarHBondContact CB-O 3.39Å; E144-G240 WeakPolarHBondContact OE2-CA 3.17Å; D238-G240 PolarHBondContact O-N 2.65Å; D238-G240 WeakPolarHBondContact OD1-CA 2.97Å; D238-G240 PolarHBondContact OD1-N 2.91Å
241S87.3Confident90.7Very high3 Ų334.3 Ų34.32%0.02119%0.194CC..G310 helixtrans-98.6-5.2172-62.80000113.8A105 H218 R219 F239A105-S241 WeakPolarHBondContact CB-OG 3.04Å; H218-S241 CarbonylContact O-C 3.6Å; H218-S241 WeakPolarHBondContact O-CB 3.41Å; R219-S241 PolarHBondContact NE-O 2.79Å; R219-S241 PolarHBondContact NH2-O 2.92Å; F239-S241 PolarHBondContact O-N 2.74Å; F239-S241 VanDerWaalsContact O-N 3.12Å
242C91Very high90.3Very high0 Ų036 Ų360%020%0.199CC..  trans-59.8146.2-172.1-80.20000113.7C140 E143 V217 F239C140-C242 WeakPolarHBondContact CB-O 3.33Å; C140-C242 PolarHBondContact SG-O 3.13Å; C140-C242 VanDerWaalsContact SG-O 3.37Å; E143-C242 HydrophobicContact CB-CB 4.02Å; E143-C242 WeakPolarHBondContact CB-O 2.97Å; V217-C242 CarbonylContact O-C 3.57Å; V217-C242 WeakPolarHBondContact O-CA 3.2Å; F239-C242 HydrophobicContact CB-CB 4.48Å; F239-C242 VanDerWaalsContact O-CB 3.24Å; F239-C242 WeakPolarHBondContact O-CB 3.43Å; F239-C242 PolarHBondContact O-N 3.38Å
243L90.3Very high89.6Confident31 Ų3136.6 Ų36.616%0.16220%0.204CC..EExtended strand (participates in β ladder)trans-127.6146165.4-81.6179.3000111.8Y216 V217 A251Y216-L243 CarbonylContact C-O 3.59Å; Y216-L243 WeakPolarHBondContact CA-O 3.09Å; V217-L243 HydrophobicContact CG1-CB 4.19Å; V217-L243 PolarHBondContact N-O 2.82Å; V217-L243 PolarHBondContact O-N 3.01Å; L243-A251 HydrophobicContact CB-CB 4Å; L243-A251 HydrophobicContact CD1-CB 4.09Å
244K90.4Very high88.5Confident126 Ų12640.4 Ų40.455%0.54822%0.224SC..EExtended strand (participates in β ladder)trans-73.5128.3172.6-162.2166.2-167.1147.90110.2G215 Y216G215-K244 CarbonylContact O-C 3.6Å; G215-K244 WeakPolarHBondContact O-CA 3.38Å; G215-K244 WeakPolarHBondContact O-CG 3.44Å; Y216-K244 HydrophobicContact CD1-CB 4.02Å; Y216-K244 HydrophobicContact CD1-CG 4.42Å; Y216-K244 HydrophobicContact CE1-CB 3.74Å; Y216-K244 HydrophobicContact CE1-CD 4.28Å; Y216-K244 HydrophobicContact CE1-CG 4.04Å; Y216-K244 HydrophobicContact CE2-CG 4.45Å; Y216-K244 PolarHBondContact OH-NZ 3.43Å
245L91.1Very high87.3Confident35 Ų3542.9 Ų42.918%0.18324%0.239CC..PPolyproline II helixtrans-71.7140.2176.3-63.8177.4000110.4G215 V217 A251 A280G215-L245 PolarHBondContact O-N 3.27Å; V217-L245 HydrophobicContact CB-CD2 3.89Å; V217-L245 HydrophobicContact CB-CG 4.44Å; V217-L245 HydrophobicContact CG1-CD2 3.72Å; L245-A251 HydrophobicContact CD2-CB 4.33Å; L245-A280 HydrophobicContact CD1-CB 4.36Å
246Q88.7Confident85.8Confident70 Ų7043.2 Ų43.233%0.32724%0.244SC..PPolyproline II helixtrans-74.5165.7170.1-70169.987.400110.6D248 G249 T250Q246-D248 WeakPolarHBondContact CB-OD1 3.26Å; Q246-D248 PolarHBondContact O-N 2.82Å; Q246-G249 PolarHBondContact O-N 3.29Å; Q246-T250 VanDerWaalsContact CB-O 3.26Å; Q246-T250 WeakPolarHBondContact CB-O 3.4Å; Q246-T250 WeakPolarHBondContact CG-O 3.43Å; Q246-T250 PolarHBondContact N-O 3.16Å; Q246-T250 PolarHBondContact NE2-O 2.93Å; Q246-T250 VanDerWaalsContact NE2-O 3.13Å
247P84.7Confident84.4Confident149 Ų14943 Ų4397%0.96824%0.244SC*.THydrogen-bonded Turntrans-61.3-7.2174.7-24.435.5000115.7
248D87.1Confident83.3Confident91 Ų9142.9 Ų42.949%0.48724%0.243SC..THydrogen-bonded Turntrans-91.92.1171.367.111.2000113.6Q246 T250 R277Q246-D248 WeakPolarHBondContact CB-OD1 3.26Å; Q246-D248 PolarHBondContact O-N 2.82Å; D248-T250 VanDerWaalsContact C-N 3.35Å; D248-T250 VanDerWaalsContact CG-OG1 3.31Å; D248-T250 WeakPolarHBondContact OD1-CB 3.35Å; D248-T250 PolarHBondContact OD1-N 2.87Å; D248-T250 PolarHBondContact OD1-OG1 3.2Å; D248-T250 PolarHBondContact OD2-OG1 3.23Å; D248-R277 IonicContact OD2-CZ 3.1Å; D248-R277 IonicContact OD2-NH1 3.97Å; D248-R277 PolarHBondContact OD2-NH1 2.52Å; D248-R277 IonicContact OD2-NH2 3.2Å
249G86.3Confident82.9Confident37 Ų3743.4 Ų43.438%0.38125%0.247SC..SBendtrans84.40.1-177.400000114.7Q246 G279Q246-G249 PolarHBondContact O-N 3.29Å; G249-G279 VanDerWaalsContact O-CA 3.28Å; G249-G279 WeakPolarHBondContact O-CA 3.24Å
250T89.5Confident82.6Confident30 Ų3044.4 Ų44.418%0.18425%0.254CS..EExtended strand (participates in β ladder)trans-108.5142.5-176.171.20000113.5Q246 D248 R277Q246-T250 VanDerWaalsContact CB-O 3.26Å; Q246-T250 WeakPolarHBondContact CB-O 3.4Å; Q246-T250 WeakPolarHBondContact CG-O 3.43Å; Q246-T250 PolarHBondContact N-O 3.16Å; Q246-T250 PolarHBondContact NE2-O 2.93Å; Q246-T250 VanDerWaalsContact NE2-O 3.13Å; D248-T250 VanDerWaalsContact C-N 3.35Å; D248-T250 VanDerWaalsContact CG-OG1 3.31Å; D248-T250 WeakPolarHBondContact OD1-CB 3.35Å; D248-T250 PolarHBondContact OD1-N 2.87Å; D248-T250 PolarHBondContact OD1-OG1 3.2Å; D248-T250 PolarHBondContact OD2-OG1 3.23Å; T250-R277 PolarHBondContact OG1-NH1 2.81Å; T250-R277 VanDerWaalsContact OG1-NH1 3.17Å
251A85.8Confident82.8Confident1 Ų145.9 Ų45.91%0.00826%0.262CS..EExtended strand (participates in β ladder)trans-83.6154.3158.500000109.7V217 L243 L245 Y278V217-A251 HydrophobicContact CG1-CB 3.97Å; L243-A251 HydrophobicContact CB-CB 4Å; L243-A251 HydrophobicContact CD1-CB 4.09Å; L245-A251 HydrophobicContact CD2-CB 4.33Å; A251-Y278 PolarHBondContact N-O 3.12Å
252Q82.7Confident83.2Confident114 Ų11446.5 Ų46.553%0.53326%0.264SS..EExtended strand (participates in β ladder)trans-117.5109.7169.5-171.6167.5-13.700110.4G276 R277Q252-G276 CarbonylContact C-O 3.55Å; Q252-G276 VanDerWaalsContact CA-O 3.24Å; Q252-G276 WeakPolarHBondContact CA-O 3.48Å; Q252-R277 HydrophobicContact CG-CG 4.42Å
253S79.3Confident83.2Confident13 Ų1346.7 Ų46.79%0.09127%0.265CS..  trans-147.8123.5179.2-165.70000111.2R219 V255 G276R219-S253 PolarHBondContact NH1-OG 3.34Å; R219-S253 VanDerWaalsContact NH1-OG 3.14Å; S253-V255 VanDerWaalsContact C-N 3.33Å; S253-G276 PolarHBondContact N-O 2.94Å; S253-G276 CarbonylContact O-C 3.58Å; S253-G276 VanDerWaalsContact O-CA 3.28Å; S253-G276 WeakPolarHBondContact O-CA 3.28Å
254N73.5Confident83.3Confident90 Ų9045.2 Ų45.248%0.48126%0.257SS..  trans-91.37.5175-71.431.4000112.5G274 G276N254-G274 PolarHBondContact ND2-O 2.82Å; N254-G276 VanDerWaalsContact OD1-CA 3.32Å; N254-G276 WeakPolarHBondContact OD1-CA 3.08Å
255V71.1Confident83.4Confident51 Ų5139.3 Ų39.331%0.30923%0.231SC..SBendtrans-115.1133.8-171.3-161.20000111.4D137 T138 S253 V257D137-V255 HydrophobicContact CB-CG2 4.2Å; T138-V255 HydrophobicContact CG2-CB 4.02Å; T138-V255 HydrophobicContact CG2-CG1 3.41Å; T138-V255 VanDerWaalsContact CG2-CG1 3.41Å; T138-V255 HydrophobicContact CG2-CG2 4.47Å; S253-V255 VanDerWaalsContact C-N 3.33Å; V255-V257 PolarHBondContact O-N 2.97Å
256A66Low83.4Confident21 Ų2138.7 Ų38.717%0.17423%0.227CC..  trans-65.1123.8173.700000110.9L103 M271L103-A256 HydrophobicContact CD1-CB 3.88Å; L103-A256 HydrophobicContact CD2-CB 4.09Å; A256-M271 HydrophobicContact CB-CE 3.63Å; A256-M271 HydrophobicContact CB-CG 4.24Å; A256-M271 HydrophobicContact CB-SD 3.42Å; A256-M271 WeakPolarHBondContact CB-SD 3.5Å
257V66.7Low83.4Confident1 Ų135.4 Ų35.41%0.00621%0.212CC..  trans-139.4159.3169.8-61.30000109.1A105 T138 R219 V255A105-V257 HydrophobicContact CB-CB 4.45Å; A105-V257 HydrophobicContact CB-CG1 3.96Å; T138-V257 HydrophobicContact CG2-CG1 4.3Å; R219-V257 HydrophobicContact CB-CG2 3.97Å; R219-V257 VanDerWaalsContact CZ-CG2 3.42Å; V255-V257 PolarHBondContact O-N 2.97Å
258G69.5Low83.6Confident7 Ų728.6 Ų28.67%0.07217%0.168CC..SBendtrans103160.5-179.200000113.2D220D220-G258 WeakPolarHBondContact OD1-CA 3.45Å
259T80.6Confident83.6Confident39 Ų3929.3 Ų29.324%0.23916%0.164CC..  trans-69.8132.8171.1-68.10000110.4D220 K222 D261 Y262 I263D220-T259 PolarHBondContact OD1-N 3.45Å; D220-T259 VanDerWaalsContact OD1-N 3.11Å; K222-T259 WeakPolarHBondContact CD-OG1 3.44Å; K222-T259 WeakPolarHBondContact CE-OG1 3.22Å; K222-T259 PolarHBondContact NZ-OG1 3.12Å; T259-D261 VanDerWaalsContact C-N 3.32Å; T259-D261 PolarHBondContact O-N 3.02Å; T259-D261 VanDerWaalsContact O-N 3.14Å; T259-Y262 HydrophobicContact CG2-CD2 3.62Å; T259-Y262 HydrophobicContact CG2-CE2 3.73Å; T259-Y262 PolarHBondContact O-N 2.67Å; T259-I263 PolarHBondContact O-N 3.08Å
260P86.6Confident83.5Confident22 Ų2227.8 Ų27.814%0.14315%0.147CC..THydrogen-bonded Turntrans-53-34.6-170-3338.5000117.6I263 L306 Y310 I313P260-I263 WeakPolarHBondContact O-CG2 3.34Å; P260-L306 HydrophobicContact CB-CD2 3.67Å; P260-L306 HydrophobicContact CG-CD2 3.58Å; P260-Y310 HydrophobicContact CB-CE1 3.87Å; P260-I313 WeakPolarHBondContact O-CD1 3.49Å
261D91.1Very high82.9Confident33 Ų3329.2 Ų29.218%0.17615%0.153CC..THydrogen-bonded Turntrans-81.9-20-173.4-49.4-88.7000112.6T259 T299 T309T259-D261 VanDerWaalsContact C-N 3.32Å; T259-D261 PolarHBondContact O-N 3.02Å; T259-D261 VanDerWaalsContact O-N 3.14Å; D261-T299 HydrophobicContact CB-CG2 4.23Å; D261-T309 WeakPolarHBondContact OD1-CG2 3.5Å
262Y94.3Very high82.5Confident16 Ų1636.3 Ų36.36%0.06319%0.186CC..THydrogen-bonded Turntrans-97.4-6.7177.6-51-92.7000113.1K222 P223 T259 S286 I289 E293 T299K222-Y262 HydrophobicContact CB-CD1 3.92Å; K222-Y262 HydrophobicContact CB-CD2 3.8Å; K222-Y262 HydrophobicContact CB-CE1 3.99Å; K222-Y262 HydrophobicContact CB-CE2 3.84Å; K222-Y262 HydrophobicContact CB-CG 3.85Å; P223-Y262 VanDerWaalsContact CD-CE1 3.48Å; P223-Y262 WeakPolarHBondContact CD-OH 3Å; P223-Y262 HydrophobicContact CG-CE1 4.4Å; T259-Y262 HydrophobicContact CG2-CD2 3.62Å; T259-Y262 HydrophobicContact CG2-CE2 3.73Å; T259-Y262 PolarHBondContact O-N 2.67Å; Y262-S286 PolarHBondContact O-OG 3.37Å; Y262-I289 HydrophobicContact CD1-CB 3.9Å; Y262-I289 HydrophobicContact CD1-CG2 3.43Å; Y262-I289 VanDerWaalsContact CD1-CG2 3.43Å; Y262-I289 HydrophobicContact CE1-CG2 3.75Å; Y262-I289 HydrophobicContact CG-CG2 4.12Å; Y262-E293 WeakPolarHBondContact CE1-OE2 2.98Å; Y262-E293 VanDerWaalsContact CZ-OE2 3.31Å; Y262-E293 PolarHBondContact OH-OE1 2.85Å; Y262-E293 PolarHBondContact OH-OE2 3.41Å; Y262-T299 HydrophobicContact CE1-CG2 4.34Å
263I92.2Very high82Confident4 Ų435.7 Ų35.72%0.02119%0.186CC..  trans-68.6144.9-177.9-151.1171.1000110.3T259 P260 I267 L268 W285 Y310 I313T259-I263 PolarHBondContact O-N 3.08Å; P260-I263 WeakPolarHBondContact O-CG2 3.34Å; I263-I267 HydrophobicContact CD1-CB 4.45Å; I263-I267 HydrophobicContact CD1-CG2 3.78Å; I263-I267 HydrophobicContact CG1-CB 4Å; I263-I267 HydrophobicContact CG1-CD1 4.21Å; I263-I267 HydrophobicContact CG1-CG2 3.81Å; I263-L268 HydrophobicContact CD1-CD2 4.05Å; I263-L268 HydrophobicContact CG2-CD1 4.01Å; I263-L268 HydrophobicContact CG2-CD2 3.98Å; I263-L268 HydrophobicContact CG2-CG 3.95Å; I263-W285 PolarHBondContact O-NE1 3.5Å; I263-Y310 HydrophobicContact CG2-CD1 4.18Å; I263-Y310 HydrophobicContact CG2-CE1 3.97Å; I263-I313 HydrophobicContact CG2-CD1 3.94Å
264S93Very high81.3Confident0 Ų037.1 Ų37.10%020%0.203CC..  trans-96.6157.2-176.273.40000113.6E266 I267 L268 C282 W285S264-E266 WeakPolarHBondContact CB-OE1 3.41Å; S264-E266 PolarHBondContact O-N 3.17Å; S264-E266 PolarHBondContact OG-OE1 2.94Å; S264-I267 PolarHBondContact O-N 3.45Å; S264-I267 VanDerWaalsContact O-N 3.1Å; S264-I267 WeakPolarHBondContact OG-CG1 3.4Å; S264-L268 PolarHBondContact O-N 3Å; S264-L268 VanDerWaalsContact O-N 3.16Å; S264-C282 VanDerWaalsContact OG-CB 3.25Å; S264-C282 WeakPolarHBondContact OG-CB 3.25Å; S264-W285 VanDerWaalsContact CA-CD1 3.5Å; S264-W285 VanDerWaalsContact CB-CG 3.48Å
265P92.4Very high81.1Confident2 Ų239.1 Ų39.11%0.01321%0.207CC..Hα-helixtrans-60.6-33.8-178.8-21.632.4000112.5L268 R269 W285 I313 M314P265-L268 PolarHBondContact O-N 3.33Å; P265-R269 WeakPolarHBondContact O-CB 3.36Å; P265-R269 WeakPolarHBondContact O-CD 3.41Å; P265-R269 WeakPolarHBondContact O-CG 3.41Å; P265-R269 PolarHBondContact O-N 2.78Å; P265-W285 HydrophobicContact CG-CE3 4.19Å; P265-W285 HydrophobicContact CG-CH2 3.55Å; P265-W285 HydrophobicContact CG-CZ2 3.94Å; P265-W285 HydrophobicContact CG-CZ3 3.7Å; P265-I313 HydrophobicContact CG-CG2 3.94Å; P265-I313 WeakPolarHBondContact CG-O 3.47Å; P265-M314 HydrophobicContact CB-SD 4.46Å
266E90.2Very high80.9Confident21 Ų2136.7 Ų36.710%0.09819%0.192CC..Hα-helixtrans-72.5-28176.765-75.5164.700114.2S264 A270 E281 C282 R346S264-E266 WeakPolarHBondContact CB-OE1 3.41Å; S264-E266 PolarHBondContact O-N 3.17Å; S264-E266 PolarHBondContact OG-OE1 2.94Å; E266-A270 WeakPolarHBondContact O-CB 3.48Å; E266-A270 PolarHBondContact O-N 2.96Å; E266-E281 HydrophobicContact CG-CG 4.06Å; E266-C282 VanDerWaalsContact OE1-CA 3.28Å; E266-C282 WeakPolarHBondContact OE1-CA 3.32Å; E266-R346 VanDerWaalsContact CD-NH1 3.28Å; E266-R346 IonicContact OE1-CZ 3.34Å; E266-R346 IonicContact OE1-NH1 2.64Å; E266-R346 PolarHBondContact OE1-NH1 2.84Å; E266-R346 IonicContact OE1-NH2 2.69Å; E266-R346 IonicContact OE2-CZ 2.78Å; E266-R346 IonicContact OE2-NH1 3.15Å; E266-R346 PolarHBondContact OE2-NH1 3.15Å; E266-R346 IonicContact OE2-NH2 3.19Å; E266-R346 PolarHBondContact OE2-NH2 3.42Å
267I89.2Confident81.8Confident2 Ų241.1 Ų41.11%0.0121%0.205CC..Hα-helixtrans-68.1-46.1169.2-64.4174.4000109.9I263 S264 A270 M271 Y278 C282I263-I267 HydrophobicContact CD1-CB 4.45Å; I263-I267 HydrophobicContact CD1-CG2 3.78Å; I263-I267 HydrophobicContact CG1-CB 4Å; I263-I267 HydrophobicContact CG1-CD1 4.21Å; I263-I267 HydrophobicContact CG1-CG2 3.81Å; S264-I267 PolarHBondContact O-N 3.45Å; S264-I267 VanDerWaalsContact O-N 3.1Å; S264-I267 WeakPolarHBondContact OG-CG1 3.4Å; I267-A270 WeakPolarHBondContact O-CB 3.3Å; I267-A270 PolarHBondContact O-N 3.25Å; I267-M271 HydrophobicContact CG2-SD 4.17Å; I267-M271 WeakPolarHBondContact O-CG 3.38Å; I267-M271 PolarHBondContact O-N 3.14Å; I267-M271 VanDerWaalsContact O-N 3.1Å; I267-Y278 HydrophobicContact CB-CE1 4.44Å; I267-Y278 HydrophobicContact CD1-CE2 4.2Å; I267-Y278 HydrophobicContact CG1-CD1 4.16Å; I267-Y278 HydrophobicContact CG1-CD2 3.91Å; I267-Y278 HydrophobicContact CG1-CE1 4.04Å; I267-Y278 HydrophobicContact CG1-CE2 3.77Å; I267-Y278 HydrophobicContact CG1-CG 4.1Å; I267-Y278 HydrophobicContact CG2-CE1 4.42Å; I267-C282 HydrophobicContact CD1-CB 3.65Å; I267-C282 HydrophobicContact CG1-CB 3.98Å
268L88.2Confident82.9Confident6 Ų641.3 Ų41.33%0.03121%0.205CC..Hα-helixtrans-60.8-47177.2-66.6176000111.7I263 S264 P265 A270 M271 E272 Y310 I313 M314I263-L268 HydrophobicContact CD1-CD2 4.05Å; I263-L268 HydrophobicContact CG2-CD1 4.01Å; I263-L268 HydrophobicContact CG2-CD2 3.98Å; I263-L268 HydrophobicContact CG2-CG 3.95Å; S264-L268 PolarHBondContact O-N 3Å; S264-L268 VanDerWaalsContact O-N 3.16Å; P265-L268 PolarHBondContact O-N 3.33Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.46Å; L268-M271 HydrophobicContact CD2-CE 4.04Å; L268-M271 HydrophobicContact CD2-SD 4.2Å; L268-M271 WeakPolarHBondContact O-CB 3.23Å; L268-M271 PolarHBondContact O-N 3.06Å; L268-M271 VanDerWaalsContact O-N 3.16Å; L268-E272 PolarHBondContact O-N 3.39Å; L268-Y310 HydrophobicContact CD1-CD1 3.95Å; L268-Y310 HydrophobicContact CD1-CG 4.1Å; L268-Y310 HydrophobicContact CD2-CD1 3.74Å; L268-Y310 HydrophobicContact CD2-CD2 4.12Å; L268-Y310 HydrophobicContact CD2-CE1 3.97Å; L268-Y310 HydrophobicContact CD2-CE2 4.33Å; L268-Y310 HydrophobicContact CD2-CG 3.83Å; L268-Y310 HydrophobicContact CG-CD1 4.5Å; L268-I313 HydrophobicContact CD1-CB 4.13Å; L268-I313 HydrophobicContact CD1-CG2 3.65Å; L268-M314 HydrophobicContact CB-SD 4.11Å; L268-M314 HydrophobicContact CD1-CG 4.13Å
269R87.5Confident83.9Confident106 Ų10641 Ų4140%0.420%0.202SC..Hα-helixtrans-60.8-40.6174.6-70.6162.6-168.8-174.42.2111.7P265 M271 E272 D273 M314P265-R269 WeakPolarHBondContact O-CB 3.36Å; P265-R269 WeakPolarHBondContact O-CD 3.41Å; P265-R269 WeakPolarHBondContact O-CG 3.41Å; P265-R269 PolarHBondContact O-N 2.78Å; R269-M271 PolarHBondContact O-N 3.45Å; R269-E272 PolarHBondContact O-N 2.88Å; R269-D273 WeakPolarHBondContact O-CB 3.41Å; R269-D273 PolarHBondContact O-N 3.26Å; R269-M314 HydrophobicContact CG-CE 3.76Å; R269-M314 HydrophobicContact CG-SD 3.77Å
270A83.5Confident84.5Confident5 Ų540.1 Ų40.14%0.04120%0.199CC..Hα-helixtrans-62.6-30.3177.500000113.4E266 I267 L268 G276 Y278E266-A270 WeakPolarHBondContact O-CB 3.48Å; E266-A270 PolarHBondContact O-N 2.96Å; I267-A270 WeakPolarHBondContact O-CB 3.3Å; I267-A270 PolarHBondContact O-N 3.25Å; L268-A270 VanDerWaalsContact C-N 3.33Å; L268-A270 PolarHBondContact O-N 3.46Å; A270-G276 PolarHBondContact O-N 2.86Å; A270-Y278 HydrophobicContact CB-CD1 3.56Å; A270-Y278 HydrophobicContact CB-CE1 3.86Å
271M77.9Confident84.8Confident60 Ų6041.6 Ų41.630%0.29620%0.204SC..Hα-helixtrans-72.1-45.7170.4-64.4154.540.700112.2A256 I267 L268 R269A256-M271 HydrophobicContact CB-CE 3.63Å; A256-M271 HydrophobicContact CB-CG 4.24Å; A256-M271 HydrophobicContact CB-SD 3.42Å; A256-M271 WeakPolarHBondContact CB-SD 3.5Å; I267-M271 HydrophobicContact CG2-SD 4.17Å; I267-M271 WeakPolarHBondContact O-CG 3.38Å; I267-M271 PolarHBondContact O-N 3.14Å; I267-M271 VanDerWaalsContact O-N 3.1Å; L268-M271 HydrophobicContact CD2-CE 4.04Å; L268-M271 HydrophobicContact CD2-SD 4.2Å; L268-M271 WeakPolarHBondContact O-CB 3.23Å; L268-M271 PolarHBondContact O-N 3.06Å; L268-M271 VanDerWaalsContact O-N 3.16Å; R269-M271 PolarHBondContact O-N 3.45Å
272E76.5Confident85Confident150 Ų15040 Ų4070%0.70120%0.196SC*.Hα-helixtrans-71.4-46.8-176.9-69-169.1141.800113.6L268 R269 G274 M314L268-E272 PolarHBondContact O-N 3.39Å; R269-E272 PolarHBondContact O-N 2.88Å; E272-G274 PolarHBondContact O-N 2.79Å; E272-M314 VanDerWaalsContact OE2-CE 3.31Å; E272-M314 WeakPolarHBondContact OE2-CE 3.49Å
273D72.4Confident85Confident101 Ų10139.3 Ų39.354%0.5419%0.193SC..SBendtrans-71.9-14.1-177.2-111.5-10.1000113R269 K275R269-D273 WeakPolarHBondContact O-CB 3.41Å; R269-D273 PolarHBondContact O-N 3.26Å; D273-K275 HydrophobicContact CB-CB 4.3Å; D273-K275 HydrophobicContact CB-CD 4Å; D273-K275 HydrophobicContact CB-CG 4.1Å; D273-K275 PolarHBondContact O-N 3.32Å; D273-K275 IonicContact OD1-NZ 2.74Å; D273-K275 PolarHBondContact OD1-NZ 2.96Å; D273-K275 WeakPolarHBondContact OD2-CD 3.27Å; D273-K275 WeakPolarHBondContact OD2-CE 3.39Å; D273-K275 IonicContact OD2-NZ 3.94Å; D273-K275 PolarHBondContact OD2-NZ 3.02Å
274G65.3Low85.3Confident43 Ų4339.3 Ų39.344%0.44319%0.192SC..SBendtrans65.23-172.100000115.1N254 E272N254-G274 PolarHBondContact ND2-O 2.82Å; E272-G274 PolarHBondContact O-N 2.79Å
275K69.8Low85.4Confident131 Ų13139.3 Ų39.357%0.5719%0.192SC*.  trans-81.9-23.6-179-65.4168.3-160.1154.40113.1D273 R277D273-K275 HydrophobicContact CB-CB 4.3Å; D273-K275 HydrophobicContact CB-CD 4Å; D273-K275 HydrophobicContact CB-CG 4.1Å; D273-K275 PolarHBondContact O-N 3.32Å; D273-K275 IonicContact OD1-NZ 2.74Å; D273-K275 PolarHBondContact OD1-NZ 2.96Å; D273-K275 WeakPolarHBondContact OD2-CD 3.27Å; D273-K275 WeakPolarHBondContact OD2-CE 3.39Å; D273-K275 IonicContact OD2-NZ 3.94Å; D273-K275 PolarHBondContact OD2-NZ 3.02Å; K275-R277 PolarHBondContact O-N 3.37Å
276G66.7Low85.7Confident0 Ų039.4 Ų39.40%019%0.193CC..  trans65.720.6165.200000117.4Q252 S253 N254 A270Q252-G276 CarbonylContact C-O 3.55Å; Q252-G276 VanDerWaalsContact CA-O 3.24Å; Q252-G276 WeakPolarHBondContact CA-O 3.48Å; S253-G276 PolarHBondContact N-O 2.94Å; S253-G276 CarbonylContact O-C 3.58Å; S253-G276 VanDerWaalsContact O-CA 3.28Å; S253-G276 WeakPolarHBondContact O-CA 3.28Å; N254-G276 VanDerWaalsContact OD1-CA 3.32Å; N254-G276 WeakPolarHBondContact OD1-CA 3.08Å; A270-G276 PolarHBondContact O-N 2.86Å
277R83.8Confident86Confident115 Ų11538.4 Ų38.443%0.43419%0.188SC..EExtended strand (participates in β ladder)trans-116.4125.8-172.1-79.6176.6168.2-104.2-4.1113.1D248 T250 Q252 K275D248-R277 IonicContact OD2-CZ 3.1Å; D248-R277 IonicContact OD2-NH1 3.97Å; D248-R277 PolarHBondContact OD2-NH1 2.52Å; D248-R277 IonicContact OD2-NH2 3.2Å; T250-R277 PolarHBondContact OG1-NH1 2.81Å; T250-R277 VanDerWaalsContact OG1-NH1 3.17Å; Q252-R277 HydrophobicContact CG-CG 4.42Å; K275-R277 PolarHBondContact O-N 3.37Å
278Y89.5Confident86.4Confident4 Ų438.3 Ų38.32%0.01619%0.188CC..EExtended strand (participates in β ladder)trans-158.7157.7170.351.6-90000108R219 A251 I267 A270R219-Y278 WeakPolarHBondContact CD-OH 3.14Å; R219-Y278 HydrophobicContact CG-CE2 4.14Å; R219-Y278 PolarHBondContact NH1-OH 2.79Å; A251-Y278 PolarHBondContact N-O 3.12Å; I267-Y278 HydrophobicContact CB-CE1 4.44Å; I267-Y278 HydrophobicContact CD1-CE2 4.2Å; I267-Y278 HydrophobicContact CG1-CD1 4.16Å; I267-Y278 HydrophobicContact CG1-CD2 3.91Å; I267-Y278 HydrophobicContact CG1-CE1 4.04Å; I267-Y278 HydrophobicContact CG1-CE2 3.77Å; I267-Y278 HydrophobicContact CG1-CG 4.1Å; I267-Y278 HydrophobicContact CG2-CE1 4.42Å; A270-Y278 HydrophobicContact CB-CD1 3.56Å; A270-Y278 HydrophobicContact CB-CE1 3.86Å
279G90.8Very high86.8Confident0 Ų038 Ų380%019%0.186CC..EExtended strand (participates in β ladder)trans-114-149.6179.800000113.5G249 E281G249-G279 VanDerWaalsContact O-CA 3.28Å; G249-G279 WeakPolarHBondContact O-CA 3.24Å; G279-E281 WeakPolarHBondContact CA-OE2 3.35Å; G279-E281 PolarHBondContact N-OE1 3.21Å; G279-E281 PolarHBondContact N-OE2 3.32Å; G279-E281 VanDerWaalsContact N-OE2 3.13Å; G279-E281 PolarHBondContact O-N 3.04Å
280A93.3Very high87.3Confident22 Ų2233 Ų3318%0.18217%0.168CC..THydrogen-bonded Turntrans-59.6-20.6179.200000114.4H212 L245 C282 D283H212-A280 PolarHBondContact CE1-O 3.31Å; L245-A280 HydrophobicContact CD1-CB 4.36Å; A280-C282 PolarHBondContact O-N 2.84Å; A280-C282 VanDerWaalsContact O-N 3.12Å; A280-D283 PolarHBondContact O-N 3.33Å
281E93.7Very high88Confident53 Ų5332.8 Ų32.825%0.24817%0.166CC..Hα-helixtrans-58.7-25.8-175.865-85-17100114.4E266 G279 D283 W284 W285 A343 R346E266-E281 HydrophobicContact CG-CG 4.06Å; G279-E281 WeakPolarHBondContact CA-OE2 3.35Å; G279-E281 PolarHBondContact N-OE1 3.21Å; G279-E281 PolarHBondContact N-OE2 3.32Å; G279-E281 VanDerWaalsContact N-OE2 3.13Å; G279-E281 PolarHBondContact O-N 3.04Å; E281-D283 PolarHBondContact O-N 2.86Å; E281-W284 PolarHBondContact O-N 2.94Å; E281-W285 PolarHBondContact O-N 3.3Å; E281-W285 VanDerWaalsContact O-N 3.14Å; E281-A343 HydrophobicContact CB-CB 4.49Å; E281-A343 HydrophobicContact CG-CB 3.94Å; E281-R346 VanDerWaalsContact C-NH1 3.3Å; E281-R346 WeakPolarHBondContact O-CD 3.33Å; E281-R346 PolarHBondContact O-NH1 3.25Å
282C93.8Very high88.9Confident0 Ų030.2 Ų30.20%015%0.153CC..Hα-helixtrans-67.8-35.1-17966.20000112.4V217 S264 E266 I267 A280 W284 W285 S286V217-C282 WeakPolarHBondContact CG2-SG 3.5Å; S264-C282 VanDerWaalsContact OG-CB 3.25Å; S264-C282 WeakPolarHBondContact OG-CB 3.25Å; E266-C282 VanDerWaalsContact OE1-CA 3.28Å; E266-C282 WeakPolarHBondContact OE1-CA 3.32Å; I267-C282 HydrophobicContact CD1-CB 3.65Å; I267-C282 HydrophobicContact CG1-CB 3.98Å; A280-C282 PolarHBondContact O-N 2.84Å; A280-C282 VanDerWaalsContact O-N 3.12Å; C282-W284 VanDerWaalsContact C-N 3.28Å; C282-W284 PolarHBondContact O-N 2.93Å; C282-W285 WeakPolarHBondContact O-CB 3.45Å; C282-W285 PolarHBondContact O-N 3.5Å; C282-S286 PolarHBondContact O-N 3.01Å; C282-S286 PolarHBondContact O-OG 3.24Å; C282-S286 VanDerWaalsContact O-OG 3.09Å
283D96.2Very high89.8Confident0 Ų024.1 Ų24.10%012%0.124CC..Hα-helixtrans-69.9-30.6178.2-61.6-20.7000111.1I208 H212 V217 H218 R219 V221 A280 E281 S286 L287I208-D283 HydrophobicContact CG2-CB 3.77Å; H212-D283 IonicContact CD2-OD2 2.91Å; H212-D283 IonicContact CE1-OD2 3.87Å; H212-D283 IonicContact NE2-OD2 2.74Å; H212-D283 PolarHBondContact NE2-OD2 2.93Å; V217-D283 WeakPolarHBondContact CG2-OD2 3.33Å; H218-D283 WeakPolarHBondContact CB-OD2 3.5Å; H218-D283 PolarHBondContact N-OD1 3.43Å; H218-D283 PolarHBondContact N-OD2 3.31Å; R219-D283 PolarHBondContact N-OD1 2.82Å; V221-D283 HydrophobicContact CG2-CB 4.03Å; A280-D283 PolarHBondContact O-N 3.33Å; E281-D283 PolarHBondContact O-N 2.86Å; D283-S286 PolarHBondContact O-N 2.95Å; D283-L287 WeakPolarHBondContact O-CB 3.07Å; D283-L287 PolarHBondContact O-N 3.18Å
284W97Very high90.9Very high4 Ų419.3 Ų19.32%0.01510%0.099CC..Hα-helixtrans-71.8-31.7173.5-57.7134.1000112.7V205 I208 D209 H212 E281 C282 L287 G288 L339 F347 G348 F355V205-W284 HydrophobicContact CB-CZ3 4.45Å; V205-W284 HydrophobicContact CG1-CH2 4.38Å; V205-W284 HydrophobicContact CG1-CZ3 4.36Å; V205-W284 HydrophobicContact CG2-CZ3 4.26Å; I208-W284 HydrophobicContact CB-CH2 3.88Å; I208-W284 HydrophobicContact CB-CZ3 3.77Å; I208-W284 HydrophobicContact CD1-CE3 4.4Å; I208-W284 HydrophobicContact CD1-CZ3 4.15Å; I208-W284 HydrophobicContact CG2-CD2 4.31Å; I208-W284 HydrophobicContact CG2-CE3 3.92Å; I208-W284 HydrophobicContact CG2-CH2 3.57Å; I208-W284 HydrophobicContact CG2-CZ2 3.96Å; I208-W284 HydrophobicContact CG2-CZ3 3.55Å; D209-W284 HydrophobicContact CB-CH2 4.16Å; H212-W284 AromaticContact CE1-CE2 3.56Å; H212-W284 AromaticContact CE1-CZ2 3.71Å; H212-W284 AromaticContact CE1-NE1 3.6Å; H212-W284 AromaticContact ND1-CE2 3.59Å; H212-W284 AromaticContact ND1-CZ2 3.39Å; H212-W284 WeakPolarHBondContact ND1-CZ2 3.28Å; H212-W284 AromaticContact ND1-NE1 3.65Å; E281-W284 PolarHBondContact O-N 2.94Å; C282-W284 VanDerWaalsContact C-N 3.28Å; C282-W284 PolarHBondContact O-N 2.93Å; W284-L287 HydrophobicContact CE3-CD2 3.72Å; W284-L287 HydrophobicContact CZ3-CD2 3.95Å; W284-G288 PolarHBondContact O-N 3.39Å; W284-G288 VanDerWaalsContact O-N 3.17Å; W284-L339 HydrophobicContact CB-CD2 4.19Å; W284-F347 WeakPolarHBondContact CB-O 3.5Å; W284-G348 PolarHBondContact NE1-O 3.35Å; W284-F355 HydrophobicContact CD2-CE2 4.06Å; W284-F355 AromaticContact CD2-CZ 3.8Å; W284-F355 HydrophobicContact CD2-CZ 3.8Å; W284-F355 HydrophobicContact CE3-CE1 4.36Å; W284-F355 AromaticContact CE3-CE2 3.86Å; W284-F355 HydrophobicContact CE3-CE2 3.86Å; W284-F355 AromaticContact CE3-CZ 3.42Å; W284-F355 HydrophobicContact CE3-CZ 3.42Å; W284-F355 VanDerWaalsContact CE3-CZ 3.42Å; W284-F355 HydrophobicContact CG-CZ 4.41Å; W284-F355 AromaticContact CH2-CE2 3.88Å; W284-F355 HydrophobicContact CH2-CE2 3.88Å; W284-F355 HydrophobicContact CH2-CZ 4.27Å; W284-F355 HydrophobicContact CZ2-CE2 4.08Å; W284-F355 AromaticContact CZ3-CE2 3.76Å; W284-F355 HydrophobicContact CZ3-CE2 3.76Å; W284-F355 AromaticContact CZ3-CZ 3.68Å; W284-F355 HydrophobicContact CZ3-CZ 3.68Å
285W96.8Very high92.4Very high0 Ų017.5 Ų17.50%08%0.079CC..Hα-helixtrans-64.1-51.5167.3171.1-83.4000110.9I263 S264 P265 E281 C282 L287 G288 I289 F301 I313 H316 I340I263-W285 PolarHBondContact O-NE1 3.5Å; S264-W285 VanDerWaalsContact CA-CD1 3.5Å; S264-W285 VanDerWaalsContact CB-CG 3.48Å; P265-W285 HydrophobicContact CG-CE3 4.19Å; P265-W285 HydrophobicContact CG-CH2 3.55Å; P265-W285 HydrophobicContact CG-CZ2 3.94Å; P265-W285 HydrophobicContact CG-CZ3 3.7Å; E281-W285 PolarHBondContact O-N 3.3Å; E281-W285 VanDerWaalsContact O-N 3.14Å; C282-W285 WeakPolarHBondContact O-CB 3.45Å; C282-W285 PolarHBondContact O-N 3.5Å; W285-L287 VanDerWaalsContact C-N 3.28Å; W285-L287 PolarHBondContact O-N 3.49Å; W285-G288 CarbonylContact O-C 3.59Å; W285-G288 VanDerWaalsContact O-CA 3.29Å; W285-G288 WeakPolarHBondContact O-CA 3.23Å; W285-G288 PolarHBondContact O-N 2.82Å; W285-I289 HydrophobicContact CZ2-CD1 4.38Å; W285-I289 PolarHBondContact O-N 3Å; W285-F301 AromaticContact CH2-CE2 3.88Å; W285-F301 HydrophobicContact CH2-CE2 3.88Å; W285-F301 HydrophobicContact CH2-CZ 4.28Å; W285-F301 HydrophobicContact CZ2-CD2 4.16Å; W285-F301 AromaticContact CZ2-CE2 3.51Å; W285-F301 HydrophobicContact CZ2-CE2 3.51Å; W285-F301 HydrophobicContact CZ2-CZ 4.33Å; W285-I313 HydrophobicContact CZ2-CG2 3.92Å; W285-H316 HydrophobicContact CH2-CB 3.66Å; W285-H316 AromaticContact CH2-CD2 3.78Å; W285-H316 AromaticContact CH2-CG 3.63Å; W285-H316 HydrophobicContact CZ3-CB 4.45Å; W285-H316 AromaticContact CZ3-CD2 3.68Å; W285-H316 AromaticContact CZ3-CG 3.98Å; W285-I340 HydrophobicContact CE3-CG2 4.27Å; W285-I340 HydrophobicContact CH2-CG2 3.58Å; W285-I340 HydrophobicContact CZ2-CG2 3.98Å; W285-I340 HydrophobicContact CZ3-CB 4.39Å; W285-I340 HydrophobicContact CZ3-CG2 3.74Å
286S96.9Very high93.6Very high4 Ų412.2 Ų12.23%0.0286%0.055CC..Hα-helixtrans-61.2-35.4-179.6-560000112.5V221 Y262 C282 D283 G288 I289 C290V221-S286 WeakPolarHBondContact O-CB 3.25Å; Y262-S286 PolarHBondContact O-OG 3.37Å; C282-S286 PolarHBondContact O-N 3.01Å; C282-S286 PolarHBondContact O-OG 3.24Å; C282-S286 VanDerWaalsContact O-OG 3.09Å; D283-S286 PolarHBondContact O-N 2.95Å; S286-G288 VanDerWaalsContact C-N 3.33Å; S286-I289 PolarHBondContact O-N 3.19Å; S286-C290 PolarHBondContact O-N 2.78Å; S286-C290 PolarHBondContact O-SG 2.62Å
287L97.6Very high94.7Very high0 Ų013.4 Ų13.40%07%0.068CC..Hα-helixtrans-59.7-41.1168.2178.870.9000112I201 M204 V205 I208 D283 W284 W285 C290 M291 L339 F355I201-L287 HydrophobicContact CD1-CD1 3.77Å; I201-L287 HydrophobicContact CG2-CD1 4.19Å; I201-L287 HydrophobicContact CG2-CD2 4.5Å; I201-L287 HydrophobicContact CG2-CG 4.48Å; M204-L287 HydrophobicContact CB-CD1 3.73Å; M204-L287 HydrophobicContact CE-CD1 3.7Å; M204-L287 HydrophobicContact SD-CD1 4.34Å; V205-L287 HydrophobicContact CG2-CD2 3.48Å; V205-L287 VanDerWaalsContact CG2-CD2 3.48Å; I208-L287 HydrophobicContact CD1-CB 4.02Å; I208-L287 HydrophobicContact CD1-CD1 3.99Å; I208-L287 HydrophobicContact CD1-CD2 4.4Å; I208-L287 HydrophobicContact CD1-CG 4.36Å; D283-L287 WeakPolarHBondContact O-CB 3.07Å; D283-L287 PolarHBondContact O-N 3.18Å; W284-L287 HydrophobicContact CE3-CD2 3.72Å; W284-L287 HydrophobicContact CZ3-CD2 3.95Å; W285-L287 VanDerWaalsContact C-N 3.28Å; W285-L287 PolarHBondContact O-N 3.49Å; L287-C290 PolarHBondContact O-N 2.84Å; L287-M291 WeakPolarHBondContact O-CB 3.47Å; L287-M291 PolarHBondContact O-N 3.37Å; L287-L339 HydrophobicContact CD2-CD1 4.25Å; L287-L339 HydrophobicContact CG-CD1 4.37Å; L287-F355 HydrophobicContact CD2-CE1 3.92Å; L287-F355 HydrophobicContact CD2-CZ 4.24Å
288G97.1Very high95.1Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-61.1-42173.700000112.6W284 W285 S286 M291 Y292 L336W284-G288 PolarHBondContact O-N 3.39Å; W284-G288 VanDerWaalsContact O-N 3.17Å; W285-G288 CarbonylContact O-C 3.59Å; W285-G288 VanDerWaalsContact O-CA 3.29Å; W285-G288 WeakPolarHBondContact O-CA 3.23Å; W285-G288 PolarHBondContact O-N 2.82Å; S286-G288 VanDerWaalsContact C-N 3.33Å; G288-M291 PolarHBondContact O-N 3.4Å; G288-Y292 PolarHBondContact O-N 2.98Å; G288-L336 VanDerWaalsContact O-CD2 3.29Å; G288-L336 WeakPolarHBondContact O-CD2 3.42Å
289I97.6Very high95.2Very high0 Ų013.2 Ų13.20%07%0.073CC..Hα-helixtrans-62.6-48173.3-56.1-59.5000110.7Y262 W285 S286 M291 Y292 E293 T299 P300 F301 I340Y262-I289 HydrophobicContact CD1-CB 3.9Å; Y262-I289 HydrophobicContact CD1-CG2 3.43Å; Y262-I289 VanDerWaalsContact CD1-CG2 3.43Å; Y262-I289 HydrophobicContact CE1-CG2 3.75Å; Y262-I289 HydrophobicContact CG-CG2 4.12Å; W285-I289 HydrophobicContact CZ2-CD1 4.38Å; W285-I289 PolarHBondContact O-N 3Å; S286-I289 PolarHBondContact O-N 3.19Å; I289-M291 VanDerWaalsContact C-N 3.29Å; I289-M291 PolarHBondContact O-N 2.84Å; I289-Y292 PolarHBondContact O-N 3.12Å; I289-Y292 VanDerWaalsContact O-N 3.14Å; I289-E293 WeakPolarHBondContact O-CB 3.49Å; I289-E293 PolarHBondContact O-N 3.48Å; I289-T299 HydrophobicContact CG2-CG2 4.06Å; I289-P300 HydrophobicContact CD1-CG 3.6Å; I289-F301 HydrophobicContact CD1-CD2 3.93Å; I289-F301 HydrophobicContact CD1-CE2 3.82Å; I289-I340 HydrophobicContact CD1-CD1 4.18Å; I289-I340 HydrophobicContact CD1-CG1 4.32Å; I289-I340 HydrophobicContact CD1-CG2 4.44Å
290C97.2Very high95.4Very high1 Ų114 Ų141%0.0078%0.078CC..Hα-helixtrans-58.7-39.5175.8-62.30000112.1M204 S286 L287 M294M204-C290 HydrophobicContact CE-CB 3.79Å; S286-C290 PolarHBondContact O-N 2.78Å; S286-C290 PolarHBondContact O-SG 2.62Å; L287-C290 PolarHBondContact O-N 2.84Å; C290-M294 WeakPolarHBondContact O-CB 3.48Å; C290-M294 VanDerWaalsContact O-CG 3.25Å; C290-M294 WeakPolarHBondContact O-CG 3.31Å; C290-M294 PolarHBondContact O-N 2.82Å
291M97.6Very high95.5Very high0 Ų013 Ų130%07%0.07CC..Hα-helixtrans-69.3-35.9177.2-177.6-179.3170.900112I201 L287 G288 I289 L295 A332 L335 L336 F360I201-M291 HydrophobicContact CD1-CB 3.67Å; I201-M291 HydrophobicContact CD1-CG 4.27Å; I201-M291 HydrophobicContact CG1-CB 3.97Å; I201-M291 HydrophobicContact CG1-CG 3.99Å; I201-M291 HydrophobicContact CG2-SD 4.44Å; L287-M291 WeakPolarHBondContact O-CB 3.47Å; L287-M291 PolarHBondContact O-N 3.37Å; G288-M291 PolarHBondContact O-N 3.4Å; I289-M291 VanDerWaalsContact C-N 3.29Å; I289-M291 PolarHBondContact O-N 2.84Å; M291-L295 HydrophobicContact CE-CD1 3.69Å; M291-L295 HydrophobicContact CG-CD1 3.93Å; M291-L295 WeakPolarHBondContact O-CB 3.22Å; M291-L295 WeakPolarHBondContact O-CD1 3.34Å; M291-L295 WeakPolarHBondContact O-CG 3.41Å; M291-L295 PolarHBondContact O-N 3.38Å; M291-A332 HydrophobicContact CE-CB 3.86Å; M291-L335 HydrophobicContact CE-CB 4.06Å; M291-L335 HydrophobicContact CE-CD2 3.96Å; M291-L335 HydrophobicContact CE-CG 4.3Å; M291-L335 HydrophobicContact SD-CB 4.15Å; M291-L335 HydrophobicContact SD-CD2 3.58Å; M291-L335 VanDerWaalsContact SD-CD2 3.58Å; M291-L335 HydrophobicContact SD-CG 3.81Å; M291-L336 HydrophobicContact CB-CD2 3.66Å; M291-L336 HydrophobicContact CE-CD2 4.47Å; M291-L336 HydrophobicContact CE-CG 4.21Å; M291-L336 HydrophobicContact CG-CD2 3.61Å; M291-L336 HydrophobicContact CG-CG 4.29Å; M291-L336 HydrophobicContact SD-CD2 3.85Å; M291-L336 HydrophobicContact SD-CG 4.17Å; M291-F360 HydrophobicContact CE-CD1 4.12Å; M291-F360 HydrophobicContact CE-CD2 4.12Å; M291-F360 HydrophobicContact CE-CE1 3.74Å; M291-F360 HydrophobicContact CE-CE2 3.75Å; M291-F360 HydrophobicContact CE-CG 4.29Å; M291-F360 HydrophobicContact CE-CZ 3.54Å; M291-F360 HydrophobicContact SD-CE1 4.39Å
292Y97.3Very high95.2Very high7 Ų717.3 Ų17.33%0.0279%0.085CC..Hα-helixtrans-65.8-49.6175.2-178.1-75.8000109.5G288 I289 M294 L295 Y296 E298 P300 L320 F322 P323 L336G288-Y292 PolarHBondContact O-N 2.98Å; I289-Y292 PolarHBondContact O-N 3.12Å; I289-Y292 VanDerWaalsContact O-N 3.14Å; Y292-M294 PolarHBondContact O-N 3.31Å; Y292-L295 CarbonylContact O-C 3.59Å; Y292-L295 PolarHBondContact O-N 2.72Å; Y292-Y296 HydrophobicContact CD1-CD2 4.06Å; Y292-Y296 HydrophobicContact CD1-CG 4.48Å; Y292-Y296 AromaticContact CD2-CD2 3.77Å; Y292-Y296 HydrophobicContact CD2-CD2 3.77Å; Y292-Y296 HydrophobicContact CD2-CE2 4.11Å; Y292-Y296 HydrophobicContact CE1-CD2 4.01Å; Y292-Y296 HydrophobicContact CE1-CG 4.1Å; Y292-Y296 AromaticContact CE2-CD2 3.71Å; Y292-Y296 HydrophobicContact CE2-CD2 3.71Å; Y292-Y296 HydrophobicContact CE2-CE2 4.01Å; Y292-Y296 HydrophobicContact CE2-CG 4.36Å; Y292-Y296 AromaticContact CG-CD2 3.95Å; Y292-Y296 HydrophobicContact CG-CD2 3.95Å; Y292-Y296 AromaticContact CZ-CD2 3.82Å; Y292-Y296 WeakPolarHBondContact O-CB 3.34Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.29Å; Y292-Y296 PolarHBondContact O-N 2.89Å; Y292-E298 WeakPolarHBondContact CD1-O 3.27Å; Y292-E298 HydrophobicContact CE1-CG 4.26Å; Y292-E298 VanDerWaalsContact CE1-O 3.29Å; Y292-E298 WeakPolarHBondContact CE1-O 3.44Å; Y292-P300 HydrophobicContact CD1-CB 3.83Å; Y292-P300 VanDerWaalsContact CD1-CD 3.48Å; Y292-P300 HydrophobicContact CD1-CG 3.98Å; Y292-P300 HydrophobicContact CD2-CB 3.86Å; Y292-P300 HydrophobicContact CD2-CG 4.24Å; Y292-P300 HydrophobicContact CE1-CB 3.78Å; Y292-P300 HydrophobicContact CE1-CG 4.41Å; Y292-P300 HydrophobicContact CE2-CB 3.8Å; Y292-P300 HydrophobicContact CG-CB 3.89Å; Y292-P300 HydrophobicContact CG-CG 3.9Å; Y292-L320 HydrophobicContact CD2-CD1 4.37Å; Y292-L320 HydrophobicContact CE2-CD1 4.33Å; Y292-F322 HydrophobicContact CD2-CD1 4.27Å; Y292-F322 HydrophobicContact CD2-CE1 4.1Å; Y292-F322 AromaticContact CE2-CD1 3.91Å; Y292-F322 HydrophobicContact CE2-CD1 3.91Å; Y292-F322 HydrophobicContact CE2-CE1 4.14Å; Y292-P323 VanDerWaalsContact OH-CD 3.22Å; Y292-P323 WeakPolarHBondContact OH-CD 3.23Å; Y292-L336 HydrophobicContact CD2-CD1 4.25Å
293E95.9Very high94.9Very high22 Ų2217.9 Ų17.910%0.1039%0.09CC..Hα-helixtrans-58.6-46.9177.8-174.8175-148.300111.8L185 P223 Y262 I289 L295 Y296 G297 E298 T299L185-E293 HydrophobicContact CD1-CG 4.22Å; P223-E293 WeakPolarHBondContact CG-OE2 3.11Å; Y262-E293 WeakPolarHBondContact CE1-OE2 2.98Å; Y262-E293 VanDerWaalsContact CZ-OE2 3.31Å; Y262-E293 PolarHBondContact OH-OE1 2.85Å; Y262-E293 PolarHBondContact OH-OE2 3.41Å; I289-E293 WeakPolarHBondContact O-CB 3.49Å; I289-E293 PolarHBondContact O-N 3.48Å; E293-L295 PolarHBondContact O-N 3.24Å; E293-Y296 PolarHBondContact O-N 2.7Å; E293-G297 PolarHBondContact O-N 2.95Å; E293-E298 WeakPolarHBondContact CA-O 3.25Å; E293-T299 HydrophobicContact CB-CG2 4.4Å; E293-T299 HydrophobicContact CG-CG2 4.32Å
294M96.1Very high94.2Very high0 Ų026.9 Ų26.90%013%0.132CC..Hα-helixtrans-54.2-26171.1-81.2-173.5-165.100114.3L181 L185 L192 A197 I201 M204 C290 Y292L181-M294 HydrophobicContact CD1-CE 4.13Å; L181-M294 HydrophobicContact CD2-CE 3.36Å; L181-M294 HydrophobicContact CG-CE 4.36Å; L185-M294 HydrophobicContact CD2-CB 4.47Å; L185-M294 HydrophobicContact CD2-CG 4.21Å; L192-M294 WeakPolarHBondContact CA-O 3.25Å; L192-M294 HydrophobicContact CD1-CG 4.16Å; L192-M294 HydrophobicContact CD1-SD 4.41Å; L192-M294 PolarHBondContact N-O 2.77Å; A197-M294 HydrophobicContact CB-CB 4.13Å; A197-M294 HydrophobicContact CB-SD 3.94Å; I201-M294 HydrophobicContact CD1-CE 3.57Å; I201-M294 HydrophobicContact CD1-SD 3.64Å; I201-M294 HydrophobicContact CG1-CE 4.05Å; I201-M294 HydrophobicContact CG1-SD 3.65Å; M204-M294 HydrophobicContact SD-CE 3.58Å; M204-M294 VanDerWaalsContact SD-CE 3.58Å; C290-M294 WeakPolarHBondContact O-CB 3.48Å; C290-M294 VanDerWaalsContact O-CG 3.25Å; C290-M294 WeakPolarHBondContact O-CG 3.31Å; C290-M294 PolarHBondContact O-N 2.82Å; Y292-M294 PolarHBondContact O-N 3.31Å
295L95.8Very high93.5Very high5 Ų529.1 Ų29.13%0.02615%0.148CC..Hα-helixtrans-106.8-16.8-173.3-70.3174.1000113.5E194 A197 M291 Y292 E293 P326 V328 A332 L336E194-L295 HydrophobicContact CB-CD2 4.11Å; E194-L295 HydrophobicContact CG-CD2 4Å; A197-L295 HydrophobicContact CB-CD2 3.75Å; A197-L295 HydrophobicContact CB-CG 4.27Å; M291-L295 HydrophobicContact CE-CD1 3.69Å; M291-L295 HydrophobicContact CG-CD1 3.93Å; M291-L295 WeakPolarHBondContact O-CB 3.22Å; M291-L295 WeakPolarHBondContact O-CD1 3.34Å; M291-L295 WeakPolarHBondContact O-CG 3.41Å; M291-L295 PolarHBondContact O-N 3.38Å; Y292-L295 CarbonylContact O-C 3.59Å; Y292-L295 PolarHBondContact O-N 2.72Å; E293-L295 PolarHBondContact O-N 3.24Å; L295-P326 WeakPolarHBondContact O-CG 3.43Å; L295-V328 HydrophobicContact CB-CG2 3.97Å; L295-V328 HydrophobicContact CD1-CG1 3.98Å; L295-A332 HydrophobicContact CD1-CB 4.04Å; L295-L336 HydrophobicContact CD1-CD1 4.25Å
296Y94.2Very high92.9Very high19 Ų1932.3 Ų32.38%0.07517%0.165CC..Hα-helixtrans-129.8-11.8-172.6-70.6-72.3000114.7Y292 E293 E298 F322 P323 V328 L336Y292-Y296 HydrophobicContact CD1-CD2 4.06Å; Y292-Y296 HydrophobicContact CD1-CG 4.48Å; Y292-Y296 AromaticContact CD2-CD2 3.77Å; Y292-Y296 HydrophobicContact CD2-CD2 3.77Å; Y292-Y296 HydrophobicContact CD2-CE2 4.11Å; Y292-Y296 HydrophobicContact CE1-CD2 4.01Å; Y292-Y296 HydrophobicContact CE1-CG 4.1Å; Y292-Y296 AromaticContact CE2-CD2 3.71Å; Y292-Y296 HydrophobicContact CE2-CD2 3.71Å; Y292-Y296 HydrophobicContact CE2-CE2 4.01Å; Y292-Y296 HydrophobicContact CE2-CG 4.36Å; Y292-Y296 AromaticContact CG-CD2 3.95Å; Y292-Y296 HydrophobicContact CG-CD2 3.95Å; Y292-Y296 AromaticContact CZ-CD2 3.82Å; Y292-Y296 WeakPolarHBondContact O-CB 3.34Å; Y292-Y296 WeakPolarHBondContact O-CD2 3.29Å; Y292-Y296 PolarHBondContact O-N 2.89Å; E293-Y296 PolarHBondContact O-N 2.7Å; Y296-E298 VanDerWaalsContact C-N 3.27Å; Y296-E298 PolarHBondContact O-N 2.85Å; Y296-F322 AromaticContact CE2-CD1 3.83Å; Y296-F322 HydrophobicContact CE2-CD1 3.83Å; Y296-P323 HydrophobicContact CD1-CB 3.82Å; Y296-P323 HydrophobicContact CD1-CG 3.69Å; Y296-P323 HydrophobicContact CE1-CB 3.91Å; Y296-P323 HydrophobicContact CE1-CG 4.07Å; Y296-P323 HydrophobicContact CG-CG 4.39Å; Y296-V328 HydrophobicContact CE1-CG2 3.92Å; Y296-V328 HydrophobicContact CE2-CG2 4.06Å; Y296-L336 HydrophobicContact CE2-CD1 4.15Å
297G91.5Very high92.3Very high26 Ų2636 Ų3627%0.26820%0.195SC..SBendtrans78.40.717800000115.6E293E293-G297 PolarHBondContact O-N 2.95Å
298E91Very high91.9Very high101 Ų10140.4 Ų40.447%0.47222%0.216SC..SBendtrans-140.7162.2175.964.7-179.9179.300110.5Y292 E293 Y296Y292-E298 WeakPolarHBondContact CD1-O 3.27Å; Y292-E298 HydrophobicContact CE1-CG 4.26Å; Y292-E298 VanDerWaalsContact CE1-O 3.29Å; Y292-E298 WeakPolarHBondContact CE1-O 3.44Å; E293-E298 WeakPolarHBondContact CA-O 3.25Å; Y296-E298 VanDerWaalsContact C-N 3.27Å; Y296-E298 PolarHBondContact O-N 2.85Å
299T92.9Very high91.5Very high13 Ų1340.5 Ų40.58%0.0822%0.216CC..  trans-86.6140.4172.558.40000110.6D261 Y262 I289 E293 F301 Y302D261-T299 HydrophobicContact CB-CG2 4.23Å; Y262-T299 HydrophobicContact CE1-CG2 4.34Å; I289-T299 HydrophobicContact CG2-CG2 4.06Å; E293-T299 HydrophobicContact CB-CG2 4.4Å; E293-T299 HydrophobicContact CG-CG2 4.32Å; T299-F301 PolarHBondContact O-N 2.86Å; T299-Y302 PolarHBondContact O-N 2.8Å
300P93.9Very high91.2Very high18 Ų1842.7 Ų42.712%0.11723%0.225CC..THydrogen-bonded Turntrans-68.4-13.7-166.325.9-32.2000114.3I289 Y292 L320 I340I289-P300 HydrophobicContact CD1-CG 3.6Å; Y292-P300 HydrophobicContact CD1-CB 3.83Å; Y292-P300 VanDerWaalsContact CD1-CD 3.48Å; Y292-P300 HydrophobicContact CD1-CG 3.98Å; Y292-P300 HydrophobicContact CD2-CB 3.86Å; Y292-P300 HydrophobicContact CD2-CG 4.24Å; Y292-P300 HydrophobicContact CE1-CB 3.78Å; Y292-P300 HydrophobicContact CE1-CG 4.41Å; Y292-P300 HydrophobicContact CE2-CB 3.8Å; Y292-P300 HydrophobicContact CG-CB 3.89Å; Y292-P300 HydrophobicContact CG-CG 3.9Å; P300-L320 HydrophobicContact CB-CD1 3.78Å; P300-L320 HydrophobicContact CG-CD1 4.44Å; P300-I340 HydrophobicContact CG-CD1 4.17Å
301F94.9Very high90.9Very high1 Ų144 Ų440%0.00424%0.239CC..THydrogen-bonded Turntrans-121.315-177.2-54-55.6000113.1W285 I289 T299 K312 I313 H316 M319 L320 I340W285-F301 AromaticContact CH2-CE2 3.88Å; W285-F301 HydrophobicContact CH2-CE2 3.88Å; W285-F301 HydrophobicContact CH2-CZ 4.28Å; W285-F301 HydrophobicContact CZ2-CD2 4.16Å; W285-F301 AromaticContact CZ2-CE2 3.51Å; W285-F301 HydrophobicContact CZ2-CE2 3.51Å; W285-F301 HydrophobicContact CZ2-CZ 4.33Å; I289-F301 HydrophobicContact CD1-CD2 3.93Å; I289-F301 HydrophobicContact CD1-CE2 3.82Å; T299-F301 PolarHBondContact O-N 2.86Å; F301-K312 HydrophobicContact CB-CB 3.91Å; F301-K312 HydrophobicContact CD1-CB 3.92Å; F301-K312 HydrophobicContact CG-CB 4.27Å; F301-K312 WeakPolarHBondContact O-CD 3.5Å; F301-I313 HydrophobicContact CB-CD1 4.41Å; F301-I313 HydrophobicContact CB-CG1 3.7Å; F301-I313 HydrophobicContact CD2-CG1 3.57Å; F301-I313 HydrophobicContact CE2-CG1 4.42Å; F301-I313 HydrophobicContact CG-CG1 3.77Å; F301-H316 HydrophobicContact CE1-CB 4.06Å; F301-H316 HydrophobicContact CE2-CB 4.4Å; F301-H316 HydrophobicContact CZ-CB 3.67Å; F301-M319 HydrophobicContact CE1-CB 4.31Å; F301-L320 HydrophobicContact CE1-CB 4.25Å; F301-L320 HydrophobicContact CZ-CB 4.25Å; F301-L320 HydrophobicContact CZ-CD1 4.19Å; F301-I340 HydrophobicContact CE2-CG2 3.55Å; F301-I340 HydrophobicContact CZ-CG2 3.56Å
302Y88.3Confident90.6Very high142 Ų14246.9 Ų46.956%0.55725%0.251SS*.  trans-52.6140.7178.2176.3-107.6000112.4T299 K312T299-Y302 PolarHBondContact O-N 2.8Å; Y302-K312 PolarHBondContact O-NZ 3.22Å
303A87Confident90.5Very high13 Ų1346.6 Ų46.611%0.10725%0.25CS..  trans-157.3159.4176.600000111.6S305 E308 K312A303-S305 PolarHBondContact O-N 3.35Å; A303-E308 HydrophobicContact CB-CB 3.72Å; A303-E308 HydrophobicContact CB-CG 3.67Å; A303-K312 HydrophobicContact CB-CD 4.49Å
304E81.7Confident90.2Very high189 Ų18947.7 Ų47.788%0.88326%0.256SS*.SBendtrans-65-11.7177.8-64.3-169.7173.200113.9
305S83.2Confident90Very high50 Ų5052.2 Ų52.235%0.3528%0.28SS..SBendtrans-144138.8179.882.30000113.5A303 A307 E308 T309A303-S305 PolarHBondContact O-N 3.35Å; S305-A307 PolarHBondContact O-N 2.95Å; S305-E308 WeakPolarHBondContact O-CA 3.48Å; S305-E308 WeakPolarHBondContact O-CB 3.21Å; S305-E308 PolarHBondContact O-N 2.74Å; S305-T309 PolarHBondContact O-N 2.87Å; S305-T309 PolarHBondContact O-OG1 3Å
306L82.8Confident89.9Confident67 Ų6752.2 Ų52.235%0.35128%0.28SS..Hα-helixtrans-52.8-33.2179.8-57.4180000113.8V100 P260 E308 Y310V100-L306 HydrophobicContact CG1-CD1 4.43Å; P260-L306 HydrophobicContact CB-CD2 3.67Å; P260-L306 HydrophobicContact CG-CD2 3.58Å; L306-E308 VanDerWaalsContact C-N 3.31Å; L306-Y310 HydrophobicContact CB-CE2 4.3Å; L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 VanDerWaalsContact O-CD2 3.25Å; L306-Y310 WeakPolarHBondContact O-CD2 3.31Å; L306-Y310 PolarHBondContact O-N 3.33Å
307A85.5Confident89.6Confident81 Ų8158.1 Ų58.167%0.66931%0.31SS*.Hα-helixtrans-71.5-27178.200000112.8S305 G311S305-A307 PolarHBondContact O-N 2.95Å; A307-G311 PolarHBondContact O-N 2.72Å; A307-G311 VanDerWaalsContact O-N 3.17Å
308E88.6Confident89.4Confident93 Ų9365 Ų6544%0.43534%0.335SS..Hα-helixtrans-82.4-41.7173.6-170.9-175.2154.800110.8A303 S305 L306 Y310 G311 K312A303-E308 HydrophobicContact CB-CB 3.72Å; A303-E308 HydrophobicContact CB-CG 3.67Å; S305-E308 WeakPolarHBondContact O-CA 3.48Å; S305-E308 WeakPolarHBondContact O-CB 3.21Å; S305-E308 PolarHBondContact O-N 2.74Å; L306-E308 VanDerWaalsContact C-N 3.31Å; E308-Y310 PolarHBondContact O-N 3.16Å; E308-G311 WeakPolarHBondContact O-CA 3.5Å; E308-G311 PolarHBondContact O-N 2.97Å; E308-G311 VanDerWaalsContact O-N 3.1Å; E308-K312 WeakPolarHBondContact O-CG 3.48Å; E308-K312 PolarHBondContact O-N 3.3Å; E308-K312 IonicContact OE1-NZ 2.72Å
309T89.1Confident89.4Confident2 Ų264.3 Ų64.31%0.01233%0.333CS..Hα-helixtrans-53.6-51169.9-500000110.8D261 S305 G311 K312 I313D261-T309 WeakPolarHBondContact OD1-CG2 3.5Å; S305-T309 PolarHBondContact O-N 2.87Å; S305-T309 PolarHBondContact O-OG1 3Å; T309-G311 VanDerWaalsContact C-N 3.31Å; T309-G311 PolarHBondContact O-N 3.4Å; T309-K312 PolarHBondContact O-N 3.33Å; T309-I313 HydrophobicContact CG2-CD1 3.92Å; T309-I313 WeakPolarHBondContact O-CB 3.16Å; T309-I313 VanDerWaalsContact O-CG1 3.28Å; T309-I313 WeakPolarHBondContact O-CG1 2.88Å; T309-I313 PolarHBondContact O-N 2.73Å
310Y90.7Very high89.4Confident47 Ų4765.3 Ų65.318%0.18434%0.338CS..Hα-helixtrans-65.5-32.1177.2-61.7-19000112.9L103 P260 I263 L268 L306 E308 M314L103-Y310 WeakPolarHBondContact CD1-OH 3.3Å; P260-Y310 HydrophobicContact CB-CE1 3.87Å; I263-Y310 HydrophobicContact CG2-CD1 4.18Å; I263-Y310 HydrophobicContact CG2-CE1 3.97Å; L268-Y310 HydrophobicContact CD1-CD1 3.95Å; L268-Y310 HydrophobicContact CD1-CG 4.1Å; L268-Y310 HydrophobicContact CD2-CD1 3.74Å; L268-Y310 HydrophobicContact CD2-CD2 4.12Å; L268-Y310 HydrophobicContact CD2-CE1 3.97Å; L268-Y310 HydrophobicContact CD2-CE2 4.33Å; L268-Y310 HydrophobicContact CD2-CG 3.83Å; L268-Y310 HydrophobicContact CG-CD1 4.5Å; L306-Y310 HydrophobicContact CB-CE2 4.3Å; L306-Y310 WeakPolarHBondContact O-CB 3.4Å; L306-Y310 VanDerWaalsContact O-CD2 3.25Å; L306-Y310 WeakPolarHBondContact O-CD2 3.31Å; L306-Y310 PolarHBondContact O-N 3.33Å; E308-Y310 PolarHBondContact O-N 3.16Å; Y310-M314 WeakPolarHBondContact O-CB 3.41Å; Y310-M314 WeakPolarHBondContact O-CG 3.22Å; Y310-M314 PolarHBondContact O-N 3Å
311G90.6Very high89.2Confident29 Ų2971.8 Ų71.830%0.29937%0.366SS..Hα-helixtrans-63-52.6171.400000111.8A307 E308 T309 I313 M314 D315A307-G311 PolarHBondContact O-N 2.72Å; A307-G311 VanDerWaalsContact O-N 3.17Å; E308-G311 WeakPolarHBondContact O-CA 3.5Å; E308-G311 PolarHBondContact O-N 2.97Å; E308-G311 VanDerWaalsContact O-N 3.1Å; T309-G311 VanDerWaalsContact C-N 3.31Å; T309-G311 PolarHBondContact O-N 3.4Å; G311-I313 VanDerWaalsContact C-N 3.29Å; G311-I313 PolarHBondContact O-N 2.73Å; G311-M314 PolarHBondContact O-N 3.49Å; G311-D315 PolarHBondContact O-N 3.16Å
312K92.7Very high89Confident60 Ų6074.1 Ų74.126%0.26138%0.377SS..Hα-helixtrans-57.4-39.4176.6-70.5-179.6-178.8-172.70112.6F301 Y302 A303 E308 T309 D315 H316 M319F301-K312 HydrophobicContact CB-CB 3.91Å; F301-K312 HydrophobicContact CD1-CB 3.92Å; F301-K312 HydrophobicContact CG-CB 4.27Å; F301-K312 WeakPolarHBondContact O-CD 3.5Å; Y302-K312 PolarHBondContact O-NZ 3.22Å; A303-K312 HydrophobicContact CB-CD 4.49Å; E308-K312 WeakPolarHBondContact O-CG 3.48Å; E308-K312 PolarHBondContact O-N 3.3Å; E308-K312 IonicContact OE1-NZ 2.72Å; T309-K312 PolarHBondContact O-N 3.33Å; K312-D315 CarbonylContact O-C 3.6Å; K312-H316 WeakPolarHBondContact O-CA 3.05Å; K312-H316 PolarHBondContact O-N 2.7Å; K312-H316 VanDerWaalsContact O-N 3.13Å; K312-M319 HydrophobicContact CB-CB 4.48Å
313I93.4Very high89.1Confident0 Ų069.5 Ų69.50%036%0.364CS..Hα-helixtrans-68.4-36.8175.1-70.1169.1000111.9P260 I263 P265 L268 W285 F301 T309 G311 H316P260-I313 WeakPolarHBondContact O-CD1 3.49Å; I263-I313 HydrophobicContact CG2-CD1 3.94Å; P265-I313 HydrophobicContact CG-CG2 3.94Å; P265-I313 WeakPolarHBondContact CG-O 3.47Å; L268-I313 HydrophobicContact CD1-CB 4.13Å; L268-I313 HydrophobicContact CD1-CG2 3.65Å; W285-I313 HydrophobicContact CZ2-CG2 3.92Å; F301-I313 HydrophobicContact CB-CD1 4.41Å; F301-I313 HydrophobicContact CB-CG1 3.7Å; F301-I313 HydrophobicContact CD2-CG1 3.57Å; F301-I313 HydrophobicContact CE2-CG1 4.42Å; F301-I313 HydrophobicContact CG-CG1 3.77Å; T309-I313 HydrophobicContact CG2-CD1 3.92Å; T309-I313 WeakPolarHBondContact O-CB 3.16Å; T309-I313 VanDerWaalsContact O-CG1 3.28Å; T309-I313 WeakPolarHBondContact O-CG1 2.88Å; T309-I313 PolarHBondContact O-N 2.73Å; G311-I313 VanDerWaalsContact C-N 3.29Å; G311-I313 PolarHBondContact O-N 2.73Å; I313-H316 WeakPolarHBondContact O-CB 3.42Å; I313-H316 PolarHBondContact O-ND1 2.8Å
314M90.9Very high89Confident45 Ų4577.9 Ų77.922%0.22240%0.401CS..Hα-helixtrans-74.9-32.6179.5-75.2-77.8-85.600113P265 L268 R269 E272 Y310 G311P265-M314 HydrophobicContact CB-SD 4.46Å; L268-M314 HydrophobicContact CB-SD 4.11Å; L268-M314 HydrophobicContact CD1-CG 4.13Å; R269-M314 HydrophobicContact CG-CE 3.76Å; R269-M314 HydrophobicContact CG-SD 3.77Å; E272-M314 VanDerWaalsContact OE2-CE 3.31Å; E272-M314 WeakPolarHBondContact OE2-CE 3.49Å; Y310-M314 WeakPolarHBondContact O-CB 3.41Å; Y310-M314 WeakPolarHBondContact O-CG 3.22Å; Y310-M314 PolarHBondContact O-N 3Å; G311-M314 PolarHBondContact O-N 3.49Å
315D92.4Very high89Confident95 Ų9576.7 Ų76.751%0.50840%0.395SS..THydrogen-bonded Turntrans-98.724.8176.3-63.7-31.5000112.4G311 K312 M317 E318 M319G311-D315 PolarHBondContact O-N 3.16Å; K312-D315 CarbonylContact O-C 3.6Å; D315-M317 PolarHBondContact O-N 3.24Å; D315-E318 PolarHBondContact O-N 2.7Å; D315-M319 HydrophobicContact CB-CE 4.46Å; D315-M319 HydrophobicContact CB-CG 4.04Å; D315-M319 WeakPolarHBondContact O-CG 2.86Å; D315-M319 PolarHBondContact O-N 3.07Å
316H92Very high89Confident6 Ų676.4 Ų76.43%0.02839%0.392CS..Hα-helixtrans-55.2-25.3-170.466.8-73000115.6W285 F301 K312 I313 E318 L320 P342W285-H316 HydrophobicContact CH2-CB 3.66Å; W285-H316 AromaticContact CH2-CD2 3.78Å; W285-H316 AromaticContact CH2-CG 3.63Å; W285-H316 HydrophobicContact CZ3-CB 4.45Å; W285-H316 AromaticContact CZ3-CD2 3.68Å; W285-H316 AromaticContact CZ3-CG 3.98Å; F301-H316 HydrophobicContact CE1-CB 4.06Å; F301-H316 HydrophobicContact CE2-CB 4.4Å; F301-H316 HydrophobicContact CZ-CB 3.67Å; K312-H316 WeakPolarHBondContact O-CA 3.05Å; K312-H316 PolarHBondContact O-N 2.7Å; K312-H316 VanDerWaalsContact O-N 3.13Å; I313-H316 WeakPolarHBondContact O-CB 3.42Å; I313-H316 PolarHBondContact O-ND1 2.8Å; H316-E318 PolarHBondContact O-N 3.39Å; H316-L320 VanDerWaalsContact O-CB 3.3Å; H316-L320 WeakPolarHBondContact O-CB 3.28Å; H316-L320 PolarHBondContact O-N 3.35Å; H316-L320 VanDerWaalsContact O-N 3.14Å; H316-P342 WeakPolarHBondContact NE2-CD 3.38Å
317M88.2Confident89.1Confident143 Ų14379.6 Ų79.670%0.70441%0.414SS*.Hα-helixtrans-70.1-20177.4-66.5-172.363.400113.6D315 P342D315-M317 PolarHBondContact O-N 3.24Å; M317-P342 HydrophobicContact CG-CG 4.32Å; M317-P342 HydrophobicContact SD-CG 3.6Å; M317-P342 VanDerWaalsContact SD-CG 3.6Å
318E88.6Confident89.5Confident171 Ų17176.3 Ų76.380%0.79939%0.386SS*.Hα-helixtrans-107.6-20.4174.7-60-169.4178.400112.1D315 H316D315-E318 PolarHBondContact O-N 2.7Å; H316-E318 PolarHBondContact O-N 3.39Å
319M90.7Very high89.8Confident86 Ų8673.2 Ų73.242%0.42438%0.375SS..Hα-helixtrans-101.5-9.8-172.3-60.8-71.9168.500115.3F301 K312 D315 E321F301-M319 HydrophobicContact CE1-CB 4.31Å; K312-M319 HydrophobicContact CB-CB 4.48Å; D315-M319 HydrophobicContact CB-CE 4.46Å; D315-M319 HydrophobicContact CB-CG 4.04Å; D315-M319 WeakPolarHBondContact O-CG 2.86Å; D315-M319 PolarHBondContact O-N 3.07Å; M319-E321 PolarHBondContact O-N 2.78Å; M319-E321 VanDerWaalsContact O-N 3.14Å
320L92.1Very high90Very high34 Ų3477.8 Ų77.818%0.17840%0.396CS..  trans-8091.6178-179.263.2000111.4Y292 P300 F301 H316 F322 I340Y292-L320 HydrophobicContact CD2-CD1 4.37Å; Y292-L320 HydrophobicContact CE2-CD1 4.33Å; P300-L320 HydrophobicContact CB-CD1 3.78Å; P300-L320 HydrophobicContact CG-CD1 4.44Å; F301-L320 HydrophobicContact CE1-CB 4.25Å; F301-L320 HydrophobicContact CZ-CB 4.25Å; F301-L320 HydrophobicContact CZ-CD1 4.19Å; H316-L320 VanDerWaalsContact O-CB 3.3Å; H316-L320 WeakPolarHBondContact O-CB 3.28Å; H316-L320 PolarHBondContact O-N 3.35Å; H316-L320 VanDerWaalsContact O-N 3.14Å; L320-F322 HydrophobicContact CD1-CZ 4.41Å; L320-F322 HydrophobicContact CD2-CE2 4.33Å; L320-F322 HydrophobicContact CD2-CZ 4Å; L320-F322 HydrophobicContact CG-CE2 4.18Å; L320-F322 HydrophobicContact CG-CZ 4.07Å; L320-I340 HydrophobicContact CD1-CD1 4.07Å; L320-I340 HydrophobicContact CD1-CG2 4.25Å; L320-I340 HydrophobicContact CD2-CB 3.87Å; L320-I340 HydrophobicContact CD2-CD1 4.48Å; L320-I340 HydrophobicContact CD2-CG2 3.91Å
321E89.3Confident90.3Very high154 Ų15480.3 Ų80.372%0.7241%0.41SS*.  trans-89.5167.9170.3-60.3-167.8162.400111.6M319M319-E321 PolarHBondContact O-N 2.78Å; M319-E321 VanDerWaalsContact O-N 3.14Å
322F92.4Very high90.5Very high50 Ų5079 Ų7922%0.21940%0.395CS..  trans-136.5117.4176.2-68.1-77.8000109.1Y292 Y296 L320 K333 L336 R337Y292-F322 HydrophobicContact CD2-CD1 4.27Å; Y292-F322 HydrophobicContact CD2-CE1 4.1Å; Y292-F322 AromaticContact CE2-CD1 3.91Å; Y292-F322 HydrophobicContact CE2-CD1 3.91Å; Y292-F322 HydrophobicContact CE2-CE1 4.14Å; Y296-F322 AromaticContact CE2-CD1 3.83Å; Y296-F322 HydrophobicContact CE2-CD1 3.83Å; L320-F322 HydrophobicContact CD1-CZ 4.41Å; L320-F322 HydrophobicContact CD2-CE2 4.33Å; L320-F322 HydrophobicContact CD2-CZ 4Å; L320-F322 HydrophobicContact CG-CE2 4.18Å; L320-F322 HydrophobicContact CG-CZ 4.07Å; F322-K333 HydrophobicContact CD1-CD 4.47Å; F322-K333 HydrophobicContact CD1-CG 4.17Å; F322-K333 HydrophobicContact CE1-CG 4.33Å; F322-K333 HydrophobicContact CG-CD 4.36Å; F322-L336 HydrophobicContact CD1-CD1 4.46Å; F322-L336 HydrophobicContact CE1-CB 3.92Å; F322-L336 HydrophobicContact CE1-CD1 3.75Å; F322-L336 HydrophobicContact CE1-CG 4.48Å; F322-L336 HydrophobicContact CZ-CB 4.09Å; F322-R337 HydrophobicContact CE2-CG 3.89Å; F322-R337 HydrophobicContact CZ-CG 3.88Å
323P90Very high90.7Very high44 Ų4477.7 Ų77.729%0.28639%0.39SS..  trans-53.8149.6175-29.735000114.2Y292 Y296 E325Y292-P323 VanDerWaalsContact OH-CD 3.22Å; Y292-P323 WeakPolarHBondContact OH-CD 3.23Å; Y296-P323 HydrophobicContact CD1-CB 3.82Å; Y296-P323 HydrophobicContact CD1-CG 3.69Å; Y296-P323 HydrophobicContact CE1-CB 3.91Å; Y296-P323 HydrophobicContact CE1-CG 4.07Å; Y296-P323 HydrophobicContact CG-CG 4.39Å; P323-E325 WeakPolarHBondContact CB-O 3.37Å
324E84Confident90.8Very high189 Ų18982.3 Ų82.388%0.88341%0.411SS*.SBendtrans-74.1-29.9176.4-65.9-165.815200112.7
325E81.1Confident91Very high165 Ų16580.2 Ų80.277%0.77140%0.401SS*.SBendtrans-124.2140172-63.3-173.1156.900108.7P323P323-E325 WeakPolarHBondContact CB-O 3.37Å
326P83.4Confident91.3Very high43 Ų4375.7 Ų75.728%0.27938%0.377SS..SBendcis-72.3164.3-2.133-38.5000113.8L295 V328L295-P326 WeakPolarHBondContact O-CG 3.43Å; P326-V328 HydrophobicContact CG-CG2 4.46Å; P326-V328 PolarHBondContact O-N 3.49Å
327T86.3Confident91.4Very high134 Ų13480.6 Ų80.682%0.82240%0.395SS*.  trans-80.376-172.8480000113.6
328V92.3Very high91.8Very high13 Ų1374.5 Ų74.58%0.07937%0.366CS..  trans-74.4140.6176.6179.50000112L295 Y296 P326 A332 K333L295-V328 HydrophobicContact CB-CG2 3.97Å; L295-V328 HydrophobicContact CD1-CG1 3.98Å; Y296-V328 HydrophobicContact CE1-CG2 3.92Å; Y296-V328 HydrophobicContact CE2-CG2 4.06Å; P326-V328 HydrophobicContact CG-CG2 4.46Å; P326-V328 PolarHBondContact O-N 3.49Å; V328-A332 HydrophobicContact CG1-CB 3.52Å; V328-K333 HydrophobicContact CG1-CG 4.08Å; V328-K333 WeakPolarHBondContact O-CE 3.38Å; V328-K333 PolarHBondContact O-NZ 2.81Å
329S95Very high92.1Very high28 Ų2866.3 Ų66.320%0.19633%0.328CS..  trans-66.5157.117966.20000113.8E194 E331 A332 K333E194-S329 PolarHBondContact OE1-OG 2.87Å; E194-S329 WeakPolarHBondContact OE2-CB 3.49Å; E194-S329 PolarHBondContact OE2-N 2.9Å; E194-S329 PolarHBondContact OE2-OG 3.45Å; S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 PolarHBondContact O-N 2.75Å; S329-A332 PolarHBondContact O-N 3.48Å; S329-A332 VanDerWaalsContact OG-CB 3.31Å; S329-A332 WeakPolarHBondContact OG-CB 3.16Å; S329-A332 PolarHBondContact OG-N 3.17Å; S329-K333 WeakPolarHBondContact O-CG 3.43Å; S329-K333 PolarHBondContact O-N 3.1Å
330E94.5Very high92.4Very high98 Ų9862.5 Ų62.546%0.45831%0.309SS..Hα-helixtrans-72-23.2172-73-54.2132.100112.1K333 H334 R337E330-K333 WeakPolarHBondContact OE1-CD 3.49Å; E330-K333 WeakPolarHBondContact OE1-CE 3.45Å; E330-K333 IonicContact OE1-NZ 2.77Å; E330-K333 PolarHBondContact OE1-NZ 2.93Å; E330-H334 WeakPolarHBondContact O-CB 3.35Å; E330-H334 PolarHBondContact O-N 3.26Å; E330-R337 IonicContact OE2-CZ 2.73Å; E330-R337 IonicContact OE2-NH1 3.16Å; E330-R337 PolarHBondContact OE2-NH1 2.85Å; E330-R337 IonicContact OE2-NH2 3.54Å; E330-R337 PolarHBondContact OE2-NH2 2.94Å
331E95.7Very high92.5Very high100 Ų10061.4 Ų61.447%0.46731%0.305SS..Hα-helixtrans-61.1-49.9166.3-70.181.1174.300111.1S329 H334 L335 H358 P359 F360S329-E331 VanDerWaalsContact C-N 3.27Å; S329-E331 PolarHBondContact O-N 2.75Å; E331-H334 PolarHBondContact O-N 3.44Å; E331-L335 PolarHBondContact O-N 3.03Å; E331-H358 PolarHBondContact O-CE1 3.37Å; E331-H358 VanDerWaalsContact O-CE1 3.29Å; E331-P359 HydrophobicContact CB-CB 4.47Å; E331-P359 HydrophobicContact CG-CB 3.78Å; E331-F360 HydrophobicContact CB-CB 4.44Å
332A96Very high92.7Very high0 Ų055 Ų550%028%0.276CS..Hα-helixtrans-62.1-45.8176.500000111.9E194 M291 L295 V328 S329 H334 L335 L336 F360E194-A332 HydrophobicContact CG-CB 4.33Å; M291-A332 HydrophobicContact CE-CB 3.86Å; L295-A332 HydrophobicContact CD1-CB 4.04Å; V328-A332 HydrophobicContact CG1-CB 3.52Å; S329-A332 PolarHBondContact O-N 3.48Å; S329-A332 VanDerWaalsContact OG-CB 3.31Å; S329-A332 WeakPolarHBondContact OG-CB 3.16Å; S329-A332 PolarHBondContact OG-N 3.17Å; A332-H334 VanDerWaalsContact C-N 3.31Å; A332-H334 PolarHBondContact O-N 3.33Å; A332-L335 WeakPolarHBondContact O-CB 3.27Å; A332-L335 PolarHBondContact O-N 2.92Å; A332-L335 VanDerWaalsContact O-N 3.14Å; A332-L336 WeakPolarHBondContact O-CG 3.15Å; A332-L336 PolarHBondContact O-N 2.77Å; A332-F360 HydrophobicContact CB-CD2 3.7Å; A332-F360 HydrophobicContact CB-CE2 3.66Å
333K95.6Very high92.6Very high33 Ų3353.9 Ų53.914%0.14328%0.277CS..Hα-helixtrans-65-31.7175.4-64.9176.5-140.7160.10112.9F322 V328 S329 E330 L335 L336 R337F322-K333 HydrophobicContact CD1-CD 4.47Å; F322-K333 HydrophobicContact CD1-CG 4.17Å; F322-K333 HydrophobicContact CE1-CG 4.33Å; F322-K333 HydrophobicContact CG-CD 4.36Å; V328-K333 HydrophobicContact CG1-CG 4.08Å; V328-K333 WeakPolarHBondContact O-CE 3.38Å; V328-K333 PolarHBondContact O-NZ 2.81Å; S329-K333 WeakPolarHBondContact O-CG 3.43Å; S329-K333 PolarHBondContact O-N 3.1Å; E330-K333 WeakPolarHBondContact OE1-CD 3.49Å; E330-K333 WeakPolarHBondContact OE1-CE 3.45Å; E330-K333 IonicContact OE1-NZ 2.77Å; E330-K333 PolarHBondContact OE1-NZ 2.93Å; K333-L335 VanDerWaalsContact C-N 3.35Å; K333-L336 PolarHBondContact O-N 3.25Å; K333-R337 WeakPolarHBondContact O-CB 3.41Å; K333-R337 WeakPolarHBondContact O-CD 3.17Å; K333-R337 WeakPolarHBondContact O-CG 3.31Å; K333-R337 PolarHBondContact O-N 2.95Å
334H95.8Very high92.6Very high98 Ų9858 Ų5845%0.45429%0.292SS..Hα-helixtrans-65.8-38.2173.1-173.5-84.6000111.3E330 E331 A332 S338 H358E330-H334 WeakPolarHBondContact O-CB 3.35Å; E330-H334 PolarHBondContact O-N 3.26Å; E331-H334 PolarHBondContact O-N 3.44Å; A332-H334 VanDerWaalsContact C-N 3.31Å; A332-H334 PolarHBondContact O-N 3.33Å; H334-S338 VanDerWaalsContact O-CB 3.32Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 3.4Å; H334-S338 VanDerWaalsContact O-N 3.08Å; H334-S338 PolarHBondContact O-OG 2.9Å; H334-H358 AromaticContact CE1-NE2 3.91Å; H334-H358 AromaticContact CG-NE2 3.86Å; H334-H358 AromaticContact ND1-CD2 3.8Å; H334-H358 AromaticContact ND1-CE1 3.95Å; H334-H358 AromaticContact ND1-NE2 2.93Å; H334-H358 PolarHBondContact ND1-NE2 2.95Å
335L96.7Very high92.9Very high0 Ų055.5 Ų55.50%028%0.28CS..Hα-helixtrans-65.9-45.2172.9-17353.6000111.4M291 E331 A332 K333 R337 S338 L339 F347 F355 F360 F361M291-L335 HydrophobicContact CE-CB 4.06Å; M291-L335 HydrophobicContact CE-CD2 3.96Å; M291-L335 HydrophobicContact CE-CG 4.3Å; M291-L335 HydrophobicContact SD-CB 4.15Å; M291-L335 HydrophobicContact SD-CD2 3.58Å; M291-L335 VanDerWaalsContact SD-CD2 3.58Å; M291-L335 HydrophobicContact SD-CG 3.81Å; E331-L335 PolarHBondContact O-N 3.03Å; A332-L335 WeakPolarHBondContact O-CB 3.27Å; A332-L335 PolarHBondContact O-N 2.92Å; A332-L335 VanDerWaalsContact O-N 3.14Å; K333-L335 VanDerWaalsContact C-N 3.35Å; L335-R337 PolarHBondContact O-N 3.48Å; L335-S338 CarbonylContact O-C 3.57Å; L335-S338 WeakPolarHBondContact O-CA 3.16Å; L335-S338 WeakPolarHBondContact O-CB 3.39Å; L335-S338 PolarHBondContact O-N 2.72Å; L335-L339 HydrophobicContact CD1-CD1 4.09Å; L335-L339 HydrophobicContact CD1-CG 4.17Å; L335-L339 HydrophobicContact CG-CD1 4.03Å; L335-L339 HydrophobicContact CG-CG 4.49Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.29Å; L335-F347 HydrophobicContact CD1-CD1 4.25Å; L335-F355 HydrophobicContact CD1-CD1 4.5Å; L335-F360 HydrophobicContact CD2-CB 4.18Å; L335-F360 HydrophobicContact CD2-CD1 3.45Å; L335-F360 VanDerWaalsContact CD2-CD1 3.45Å; L335-F360 HydrophobicContact CD2-CE1 4.08Å; L335-F360 HydrophobicContact CD2-CG 4.03Å; L335-F361 HydrophobicContact CD1-CE2 4.4Å; L335-F361 HydrophobicContact CD2-CD2 4.39Å; L335-F361 HydrophobicContact CD2-CE2 3.4Å; L335-F361 HydrophobicContact CD2-CZ 3.48Å; L335-F361 VanDerWaalsContact CD2-CZ 3.48Å
336L96.9Very high93.6Very high0 Ų048 Ų480%025%0.245CC..Hα-helixtrans-57.7-48.1175.9-69.6174.9000112G288 M291 Y292 L295 Y296 F322 A332 K333 S338 L339 I340G288-L336 VanDerWaalsContact O-CD2 3.29Å; G288-L336 WeakPolarHBondContact O-CD2 3.42Å; M291-L336 HydrophobicContact CB-CD2 3.66Å; M291-L336 HydrophobicContact CE-CD2 4.47Å; M291-L336 HydrophobicContact CE-CG 4.21Å; M291-L336 HydrophobicContact CG-CD2 3.61Å; M291-L336 HydrophobicContact CG-CG 4.29Å; M291-L336 HydrophobicContact SD-CD2 3.85Å; M291-L336 HydrophobicContact SD-CG 4.17Å; Y292-L336 HydrophobicContact CD2-CD1 4.25Å; L295-L336 HydrophobicContact CD1-CD1 4.25Å; Y296-L336 HydrophobicContact CE2-CD1 4.15Å; F322-L336 HydrophobicContact CD1-CD1 4.46Å; F322-L336 HydrophobicContact CE1-CB 3.92Å; F322-L336 HydrophobicContact CE1-CD1 3.75Å; F322-L336 HydrophobicContact CE1-CG 4.48Å; F322-L336 HydrophobicContact CZ-CB 4.09Å; A332-L336 WeakPolarHBondContact O-CG 3.15Å; A332-L336 PolarHBondContact O-N 2.77Å; K333-L336 PolarHBondContact O-N 3.25Å; L336-S338 PolarHBondContact O-N 2.75Å; L336-S338 VanDerWaalsContact O-N 3.17Å; L336-L339 PolarHBondContact O-N 2.8Å; L336-L339 VanDerWaalsContact O-N 3.12Å; L336-I340 HydrophobicContact CD2-CD1 4.3Å; L336-I340 WeakPolarHBondContact O-CB 3.21Å; L336-I340 PolarHBondContact O-N 2.97Å
337R95.4Very high94Very high109 Ų10948.2 Ų48.241%0.41124%0.241SC..Hα-helixtrans-62.9-17.5173.6-66.5165.7-165.9139.3-1113.5F322 E330 K333 L335 C341F322-R337 HydrophobicContact CE2-CG 3.89Å; F322-R337 HydrophobicContact CZ-CG 3.88Å; E330-R337 IonicContact OE2-CZ 2.73Å; E330-R337 IonicContact OE2-NH1 3.16Å; E330-R337 PolarHBondContact OE2-NH1 2.85Å; E330-R337 IonicContact OE2-NH2 3.54Å; E330-R337 PolarHBondContact OE2-NH2 2.94Å; K333-R337 WeakPolarHBondContact O-CB 3.41Å; K333-R337 WeakPolarHBondContact O-CD 3.17Å; K333-R337 WeakPolarHBondContact O-CG 3.31Å; K333-R337 PolarHBondContact O-N 2.95Å; L335-R337 PolarHBondContact O-N 3.48Å; R337-C341 WeakPolarHBondContact O-CB 3.42Å
338S95.1Very high94.1Very high15 Ų1542.3 Ų42.311%0.10521%0.207CC..Hα-helixtrans-96.9-8.1177.5-56.50000113.8H334 L335 L336 C341 R346 F347H334-S338 VanDerWaalsContact O-CB 3.32Å; H334-S338 WeakPolarHBondContact O-CB 3.22Å; H334-S338 PolarHBondContact O-N 3.4Å; H334-S338 VanDerWaalsContact O-N 3.08Å; H334-S338 PolarHBondContact O-OG 2.9Å; L335-S338 CarbonylContact O-C 3.57Å; L335-S338 WeakPolarHBondContact O-CA 3.16Å; L335-S338 WeakPolarHBondContact O-CB 3.39Å; L335-S338 PolarHBondContact O-N 2.72Å; L336-S338 PolarHBondContact O-N 2.75Å; L336-S338 VanDerWaalsContact O-N 3.17Å; S338-C341 PolarHBondContact O-SG 2.79Å; S338-R346 WeakPolarHBondContact O-CA 3.42Å; S338-F347 PolarHBondContact O-N 3.13Å
339L96.5Very high93.7Very high0 Ų048.2 Ų48.20%023%0.232CC..Hα-helixtrans-110.1-47.1175.9-67.5176.6000111.3W284 L287 L335 L336 C341 R346 F347 F355W284-L339 HydrophobicContact CB-CD2 4.19Å; L287-L339 HydrophobicContact CD2-CD1 4.25Å; L287-L339 HydrophobicContact CG-CD1 4.37Å; L335-L339 HydrophobicContact CD1-CD1 4.09Å; L335-L339 HydrophobicContact CD1-CG 4.17Å; L335-L339 HydrophobicContact CG-CD1 4.03Å; L335-L339 HydrophobicContact CG-CG 4.49Å; L335-L339 WeakPolarHBondContact O-CG 3.44Å; L335-L339 PolarHBondContact O-N 3.29Å; L336-L339 PolarHBondContact O-N 2.8Å; L336-L339 VanDerWaalsContact O-N 3.12Å; L339-C341 PolarHBondContact O-N 2.92Å; L339-R346 WeakPolarHBondContact O-CD 3.47Å; L339-R346 WeakPolarHBondContact O-CG 3.44Å; L339-R346 PolarHBondContact O-NE 3.13Å; L339-R346 VanDerWaalsContact O-NE 3.15Å; L339-F347 HydrophobicContact CD2-CB 3.83Å; L339-F355 HydrophobicContact CD1-CE1 4.46Å; L339-F355 HydrophobicContact CD2-CE1 3.88Å; L339-F355 HydrophobicContact CD2-CZ 4.03Å
340I96.5Very high93.2Very high5 Ų551.4 Ų51.43%0.02625%0.247CC..SBendtrans-84.360.4177.8-46.4174.4000109.4W285 I289 P300 F301 L320 L336W285-I340 HydrophobicContact CE3-CG2 4.27Å; W285-I340 HydrophobicContact CH2-CG2 3.58Å; W285-I340 HydrophobicContact CZ2-CG2 3.98Å; W285-I340 HydrophobicContact CZ3-CB 4.39Å; W285-I340 HydrophobicContact CZ3-CG2 3.74Å; I289-I340 HydrophobicContact CD1-CD1 4.18Å; I289-I340 HydrophobicContact CD1-CG1 4.32Å; I289-I340 HydrophobicContact CD1-CG2 4.44Å; P300-I340 HydrophobicContact CG-CD1 4.17Å; F301-I340 HydrophobicContact CE2-CG2 3.55Å; F301-I340 HydrophobicContact CZ-CG2 3.56Å; L320-I340 HydrophobicContact CD1-CD1 4.07Å; L320-I340 HydrophobicContact CD1-CG2 4.25Å; L320-I340 HydrophobicContact CD2-CB 3.87Å; L320-I340 HydrophobicContact CD2-CD1 4.48Å; L320-I340 HydrophobicContact CD2-CG2 3.91Å; L336-I340 HydrophobicContact CD2-CD1 4.3Å; L336-I340 WeakPolarHBondContact O-CB 3.21Å; L336-I340 PolarHBondContact O-N 2.97Å
341C94.3Very high92.6Very high12 Ų1251.6 Ų51.68%0.08125%0.251CS..SBendtrans-144.6172.2-175.273.30000111.9R337 S338 L339 A343 R346R337-C341 WeakPolarHBondContact O-CB 3.42Å; S338-C341 PolarHBondContact O-SG 2.79Å; L339-C341 PolarHBondContact O-N 2.92Å; C341-A343 PolarHBondContact O-N 2.57Å; C341-R346 PolarHBondContact O-NE 2.77Å; C341-R346 VanDerWaalsContact O-NE 3.13Å; C341-R346 PolarHBondContact O-NH2 2.79Å; C341-R346 VanDerWaalsContact SG-CA 3.54Å
342P92.9Very high92.3Very high19 Ų1947.9 Ų47.912%0.12323%0.234CC..  trans-56.9137.2175.1-23.135.2000112.2H316 M317 E344 Q345 R346H316-P342 WeakPolarHBondContact NE2-CD 3.38Å; M317-P342 HydrophobicContact CG-CG 4.32Å; M317-P342 HydrophobicContact SD-CG 3.6Å; M317-P342 VanDerWaalsContact SD-CG 3.6Å; P342-E344 WeakPolarHBondContact CB-OE2 3.31Å; P342-E344 PolarHBondContact O-N 2.88Å; P342-Q345 PolarHBondContact O-N 3.5Å; P342-R346 PolarHBondContact O-N 3.29Å
343A91.6Very high92Very high27 Ų2754 Ų5422%0.22326%0.26CS..THydrogen-bonded Turntrans-51.3-31.5-173.400000114.3E281 C341 Q345 R346E281-A343 HydrophobicContact CB-CB 4.49Å; E281-A343 HydrophobicContact CG-CB 3.94Å; C341-A343 PolarHBondContact O-N 2.57Å; A343-Q345 PolarHBondContact O-N 2.7Å; A343-R346 PolarHBondContact O-N 2.81Å
344E89Confident91.9Very high130 Ų13053.5 Ų53.561%0.60726%0.26SS*.THydrogen-bonded Turntrans-65.9-24.8-179.8-56.180.1-177.500113.3P342 K349P342-E344 WeakPolarHBondContact CB-OE2 3.31Å; P342-E344 PolarHBondContact O-N 2.88Å; E344-K349 PolarHBondContact O-NZ 3.01Å
345Q91.3Very high91.8Very high137 Ų13748.9 Ų48.964%0.6424%0.238SC*.THydrogen-bonded Turntrans-108.6-7.6-176-58.517847.300112.9P342 A343P342-Q345 PolarHBondContact O-N 3.5Å; A343-Q345 PolarHBondContact O-N 2.7Å
346R95.1Very high91.6Very high7 Ų753.2 Ų53.23%0.02626%0.259CS..  trans-70.9142.7-171.5-158.4176.7-60.8148.61.9112.6E266 E281 S338 L339 C341 P342 A343E266-R346 VanDerWaalsContact CD-NH1 3.28Å; E266-R346 IonicContact OE1-CZ 3.34Å; E266-R346 IonicContact OE1-NH1 2.64Å; E266-R346 PolarHBondContact OE1-NH1 2.84Å; E266-R346 IonicContact OE1-NH2 2.69Å; E266-R346 IonicContact OE2-CZ 2.78Å; E266-R346 IonicContact OE2-NH1 3.15Å; E266-R346 PolarHBondContact OE2-NH1 3.15Å; E266-R346 IonicContact OE2-NH2 3.19Å; E266-R346 PolarHBondContact OE2-NH2 3.42Å; E281-R346 VanDerWaalsContact C-NH1 3.3Å; E281-R346 WeakPolarHBondContact O-CD 3.33Å; E281-R346 PolarHBondContact O-NH1 3.25Å; S338-R346 WeakPolarHBondContact O-CA 3.42Å; L339-R346 WeakPolarHBondContact O-CD 3.47Å; L339-R346 WeakPolarHBondContact O-CG 3.44Å; L339-R346 PolarHBondContact O-NE 3.13Å; L339-R346 VanDerWaalsContact O-NE 3.15Å; C341-R346 PolarHBondContact O-NE 2.77Å; C341-R346 VanDerWaalsContact O-NE 3.13Å; C341-R346 PolarHBondContact O-NH2 2.79Å; C341-R346 VanDerWaalsContact SG-CA 3.54Å; P342-R346 PolarHBondContact O-N 3.29Å; A343-R346 PolarHBondContact O-N 2.81Å
347F92Very high91.4Very high47 Ų4761.1 Ų61.121%0.20630%0.297CS..SBendtrans-68154.6173.4-88.2-138000111.9W284 L335 S338 L339 D354 F355 H358W284-F347 WeakPolarHBondContact CB-O 3.5Å; L335-F347 HydrophobicContact CD1-CD1 4.25Å; S338-F347 PolarHBondContact O-N 3.13Å; L339-F347 HydrophobicContact CD2-CB 3.83Å; F347-D354 HydrophobicContact CB-CB 4.11Å; F347-D354 HydrophobicContact CD1-CB 3.67Å; F347-D354 WeakPolarHBondContact CD1-O 3.5Å; F347-D354 HydrophobicContact CE1-CB 4.2Å; F347-D354 WeakPolarHBondContact CE1-O 3.43Å; F347-D354 HydrophobicContact CG-CB 3.93Å; F347-F355 HydrophobicContact CB-CE1 4.49Å; F347-F355 HydrophobicContact CB-CZ 4.36Å; F347-H358 HydrophobicContact CE1-CB 4.13Å; F347-H358 AromaticContact CE1-CD2 3.52Å; F347-H358 AromaticContact CZ-CD2 3.99Å
348G88.3Confident91.4Very high10 Ų1056.2 Ų56.210%0.10328%0.279CS..SBendtrans89.213.4-172.100000113.5W284 D354W284-G348 PolarHBondContact NE1-O 3.35Å; G348-D354 WeakPolarHBondContact CA-OD2 3.48Å; G348-D354 PolarHBondContact N-OD2 3.3Å
349K84.5Confident91.4Very high138 Ų13859.2 Ų59.260%0.630%0.298SS*.THydrogen-bonded Turntrans-85.4-23.2175.7-172.4178.7-173179.60112.1E344 D354E344-K349 PolarHBondContact O-NZ 3.01Å; K349-D354 PolarHBondContact N-OD2 2.76Å
350N83Confident91.3Very high95 Ų9559.4 Ų59.451%0.50830%0.299SS..THydrogen-bonded Turntrans-106.232.4167.3-51.5-76000111D354N350-D354 WeakPolarHBondContact CB-OD1 3.26Å; N350-D354 PolarHBondContact N-OD2 3.14Å; N350-D354 PolarHBondContact ND2-OD1 3.23Å
351D82.6Confident91.3Very high101 Ų10159.3 Ų59.354%0.5430%0.299SS..THydrogen-bonded Turntrans54.9-146.3-172.4-43.3-53.4000111.8K353 D354D351-K353 PolarHBondContact O-N 3.37Å; D351-D354 PolarHBondContact O-N 3.43Å
352L88.7Confident91.1Very high22 Ų2267.6 Ų67.612%0.11533%0.333CS..THydrogen-bonded Turntrans-49.1-27.1179.3-173.259.9000115V205 L206 D354 F355 E356 W366V205-L352 HydrophobicContact CG1-CD1 3.52Å; L206-L352 HydrophobicContact CD2-CD1 3.87Å; L206-L352 HydrophobicContact CD2-CD2 3.88Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.99Å; L352-F355 WeakPolarHBondContact O-CB 3.24Å; L352-F355 PolarHBondContact O-N 3.09Å; L352-E356 HydrophobicContact CG-CG 4.01Å; L352-E356 PolarHBondContact O-N 3.1Å; L352-W366 HydrophobicContact CD1-CE3 4Å; L352-W366 HydrophobicContact CD1-CZ3 4Å
353K90.4Very high91Very high128 Ų12870.6 Ų70.656%0.55737%0.367SS*.Hα-helixtrans-64.6-33.1-172.9-66.6171.3-175.7155.60114D351 F355 E356 M357D351-K353 PolarHBondContact O-N 3.37Å; K353-F355 PolarHBondContact O-N 2.94Å; K353-E356 PolarHBondContact O-N 3.49Å; K353-M357 WeakPolarHBondContact O-CB 3.06Å; K353-M357 WeakPolarHBondContact O-CG 3.28Å; K353-M357 PolarHBondContact O-N 3.09Å; K353-M357 VanDerWaalsContact O-N 3.08Å
354D92.5Very high91Very high24 Ų2471 Ų7113%0.12837%0.366CS..Hα-helixtrans-60.7-36.5176.8-69.1-28.1000110F347 G348 K349 N350 D351 L352F347-D354 HydrophobicContact CB-CB 4.11Å; F347-D354 HydrophobicContact CD1-CB 3.67Å; F347-D354 WeakPolarHBondContact CD1-O 3.5Å; F347-D354 HydrophobicContact CE1-CB 4.2Å; F347-D354 WeakPolarHBondContact CE1-O 3.43Å; F347-D354 HydrophobicContact CG-CB 3.93Å; G348-D354 WeakPolarHBondContact CA-OD2 3.48Å; G348-D354 PolarHBondContact N-OD2 3.3Å; K349-D354 PolarHBondContact N-OD2 2.76Å; N350-D354 WeakPolarHBondContact CB-OD1 3.26Å; N350-D354 PolarHBondContact N-OD2 3.14Å; N350-D354 PolarHBondContact ND2-OD1 3.23Å; D351-D354 PolarHBondContact O-N 3.43Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.99Å
355F95.1Very high91.1Very high0 Ų068.9 Ų68.90%036%0.358CS..Hα-helixtrans-78.9-45.1176.7-55.6-86.4000112.3V205 W284 L287 L335 L339 F347 L352 K353 M357 H358 F361 W366V205-F355 HydrophobicContact CG1-CB 3.99Å; V205-F355 HydrophobicContact CG1-CD1 4.24Å; V205-F355 HydrophobicContact CG1-CD2 3.74Å; V205-F355 HydrophobicContact CG1-CE2 4.26Å; V205-F355 HydrophobicContact CG1-CG 3.73Å; V205-F355 HydrophobicContact CG2-CD1 3.57Å; V205-F355 HydrophobicContact CG2-CD2 4.42Å; V205-F355 HydrophobicContact CG2-CE1 3.75Å; V205-F355 HydrophobicContact CG2-CG 3.94Å; V205-F355 HydrophobicContact CG2-CZ 4.27Å; W284-F355 HydrophobicContact CD2-CE2 4.06Å; W284-F355 AromaticContact CD2-CZ 3.8Å; W284-F355 HydrophobicContact CD2-CZ 3.8Å; W284-F355 HydrophobicContact CE3-CE1 4.36Å; W284-F355 AromaticContact CE3-CE2 3.86Å; W284-F355 HydrophobicContact CE3-CE2 3.86Å; W284-F355 AromaticContact CE3-CZ 3.42Å; W284-F355 HydrophobicContact CE3-CZ 3.42Å; W284-F355 VanDerWaalsContact CE3-CZ 3.42Å; W284-F355 HydrophobicContact CG-CZ 4.41Å; W284-F355 AromaticContact CH2-CE2 3.88Å; W284-F355 HydrophobicContact CH2-CE2 3.88Å; W284-F355 HydrophobicContact CH2-CZ 4.27Å; W284-F355 HydrophobicContact CZ2-CE2 4.08Å; W284-F355 AromaticContact CZ3-CE2 3.76Å; W284-F355 HydrophobicContact CZ3-CE2 3.76Å; W284-F355 AromaticContact CZ3-CZ 3.68Å; W284-F355 HydrophobicContact CZ3-CZ 3.68Å; L287-F355 HydrophobicContact CD2-CE1 3.92Å; L287-F355 HydrophobicContact CD2-CZ 4.24Å; L335-F355 HydrophobicContact CD1-CD1 4.5Å; L339-F355 HydrophobicContact CD1-CE1 4.46Å; L339-F355 HydrophobicContact CD2-CE1 3.88Å; L339-F355 HydrophobicContact CD2-CZ 4.03Å; F347-F355 HydrophobicContact CB-CE1 4.49Å; F347-F355 HydrophobicContact CB-CZ 4.36Å; L352-F355 WeakPolarHBondContact O-CB 3.24Å; L352-F355 PolarHBondContact O-N 3.09Å; K353-F355 PolarHBondContact O-N 2.94Å; F355-M357 PolarHBondContact O-N 3.15Å; F355-H358 PolarHBondContact O-N 2.95Å; F355-F361 HydrophobicContact CB-CD2 4.33Å; F355-F361 HydrophobicContact CB-CE2 3.95Å; F355-F361 AromaticContact CD1-CE2 3.89Å; F355-F361 HydrophobicContact CD1-CE2 3.89Å; F355-F361 HydrophobicContact CD1-CZ 4.15Å; F355-F361 HydrophobicContact CG-CE2 4.44Å; F355-F361 WeakPolarHBondContact O-CD2 3.4Å; F355-W366 HydrophobicContact CB-CH2 3.8Å; F355-W366 HydrophobicContact CB-CZ2 4.1Å
356E91.8Very high91.1Very high92 Ų9264.1 Ų64.143%0.4334%0.335SS..Hα-helixtrans-54.3-37.4177-72.3174160.100112.9L352 K353 W366L352-E356 HydrophobicContact CG-CG 4.01Å; L352-E356 PolarHBondContact O-N 3.1Å; K353-E356 PolarHBondContact O-N 3.49Å; E356-W366 HydrophobicContact CG-CD2 4.4Å; E356-W366 HydrophobicContact CG-CG 4.28Å
357M92.2Very high90.8Very high165 Ų16571.7 Ų71.781%0.81337%0.37SS*.THydrogen-bonded Turntrans-84.9-7.7-179-67.5-17560.600114K353 F355K353-M357 WeakPolarHBondContact O-CB 3.06Å; K353-M357 WeakPolarHBondContact O-CG 3.28Å; K353-M357 PolarHBondContact O-N 3.09Å; K353-M357 VanDerWaalsContact O-N 3.08Å; F355-M357 PolarHBondContact O-N 3.15Å
358H95.2Very high90.7Very high7 Ų772.8 Ų72.83%0.03238%0.378CS..SBendtrans-83.3130.9-172.2-168.9-83.2000112.6E331 H334 F347 F355 F360 F361E331-H358 PolarHBondContact O-CE1 3.37Å; E331-H358 VanDerWaalsContact O-CE1 3.29Å; H334-H358 AromaticContact CE1-NE2 3.91Å; H334-H358 AromaticContact CG-NE2 3.86Å; H334-H358 AromaticContact ND1-CD2 3.8Å; H334-H358 AromaticContact ND1-CE1 3.95Å; H334-H358 AromaticContact ND1-NE2 2.93Å; H334-H358 PolarHBondContact ND1-NE2 2.95Å; F347-H358 HydrophobicContact CE1-CB 4.13Å; F347-H358 AromaticContact CE1-CD2 3.52Å; F347-H358 AromaticContact CZ-CD2 3.99Å; F355-H358 PolarHBondContact O-N 2.95Å; H358-F360 VanDerWaalsContact ND1-CB 3.29Å; H358-F360 WeakPolarHBondContact ND1-CB 2.99Å; H358-F360 PolarHBondContact ND1-N 3.42Å; H358-F360 VanDerWaalsContact ND1-N 3.18Å; H358-F360 PolarHBondContact O-N 2.83Å; H358-F361 HydrophobicContact CB-CD2 4.14Å; H358-F361 PolarHBondContact O-N 2.8Å
359P95Very high91Very high78 Ų7872.6 Ų72.651%0.50638%0.375SS..G310 helixtrans-53.1-29.9-176.5-30.936.8000116.3E331 F361 K362E331-P359 HydrophobicContact CB-CB 4.47Å; E331-P359 HydrophobicContact CG-CB 3.78Å; P359-F361 VanDerWaalsContact C-N 3.3Å; P359-F361 PolarHBondContact O-N 3.39Å; P359-K362 WeakPolarHBondContact O-CB 3.12Å; P359-K362 PolarHBondContact O-N 3.32Å
360F96Very high91.2Very high4 Ų468.1 Ų68.12%0.01836%0.355CS..G310 helixtrans-57.3-36.9176.8178.2-107.9000113.6E194 R198 M291 E331 A332 L335 H358 K362E194-F360 HydrophobicContact CG-CE2 3.7Å; E194-F360 HydrophobicContact CG-CZ 4.46Å; R198-F360 HydrophobicContact CB-CE1 3.96Å; R198-F360 HydrophobicContact CB-CE2 4.29Å; R198-F360 HydrophobicContact CB-CZ 3.69Å; R198-F360 WeakPolarHBondContact CD-O 3.33Å; R198-F360 HydrophobicContact CG-CD1 4.32Å; R198-F360 HydrophobicContact CG-CE1 3.96Å; R198-F360 HydrophobicContact CG-CZ 4.09Å; R198-F360 WeakPolarHBondContact CG-O 3.04Å; R198-F360 PolarHBondContact NE-O 2.85Å; M291-F360 HydrophobicContact CE-CD1 4.12Å; M291-F360 HydrophobicContact CE-CD2 4.12Å; M291-F360 HydrophobicContact CE-CE1 3.74Å; M291-F360 HydrophobicContact CE-CE2 3.75Å; M291-F360 HydrophobicContact CE-CG 4.29Å; M291-F360 HydrophobicContact CE-CZ 3.54Å; M291-F360 HydrophobicContact SD-CE1 4.39Å; E331-F360 HydrophobicContact CB-CB 4.44Å; A332-F360 HydrophobicContact CB-CD2 3.7Å; A332-F360 HydrophobicContact CB-CE2 3.66Å; L335-F360 HydrophobicContact CD2-CB 4.18Å; L335-F360 HydrophobicContact CD2-CD1 3.45Å; L335-F360 VanDerWaalsContact CD2-CD1 3.45Å; L335-F360 HydrophobicContact CD2-CE1 4.08Å; L335-F360 HydrophobicContact CD2-CG 4.03Å; H358-F360 VanDerWaalsContact ND1-CB 3.29Å; H358-F360 WeakPolarHBondContact ND1-CB 2.99Å; H358-F360 PolarHBondContact ND1-N 3.42Å; H358-F360 VanDerWaalsContact ND1-N 3.18Å; H358-F360 PolarHBondContact O-N 2.83Å; F360-K362 VanDerWaalsContact C-N 3.32Å
361F95.8Very high91.5Very high3 Ų371.8 Ų71.81%0.01337%0.369CS..G310 helixtrans-92.111.9-179.4-55.7-78.3000113.4R198 I201 A202 V205 L335 F355 H358 P359 G363 I364 W366R198-F361 HydrophobicContact CG-CD1 4.38Å; I201-F361 HydrophobicContact CB-CE1 4.36Å; I201-F361 HydrophobicContact CG2-CE1 3.84Å; I201-F361 HydrophobicContact CG2-CZ 3.73Å; A202-F361 HydrophobicContact CB-CD1 3.99Å; A202-F361 HydrophobicContact CB-CE1 4.07Å; V205-F361 HydrophobicContact CG2-CZ 4.4Å; L335-F361 HydrophobicContact CD1-CE2 4.4Å; L335-F361 HydrophobicContact CD2-CD2 4.39Å; L335-F361 HydrophobicContact CD2-CE2 3.4Å; L335-F361 HydrophobicContact CD2-CZ 3.48Å; L335-F361 VanDerWaalsContact CD2-CZ 3.48Å; F355-F361 HydrophobicContact CB-CD2 4.33Å; F355-F361 HydrophobicContact CB-CE2 3.95Å; F355-F361 AromaticContact CD1-CE2 3.89Å; F355-F361 HydrophobicContact CD1-CE2 3.89Å; F355-F361 HydrophobicContact CD1-CZ 4.15Å; F355-F361 HydrophobicContact CG-CE2 4.44Å; F355-F361 WeakPolarHBondContact O-CD2 3.4Å; H358-F361 HydrophobicContact CB-CD2 4.14Å; H358-F361 PolarHBondContact O-N 2.8Å; P359-F361 VanDerWaalsContact C-N 3.3Å; P359-F361 PolarHBondContact O-N 3.39Å; F361-G363 PolarHBondContact O-N 2.82Å; F361-I364 HydrophobicContact CB-CB 4.4Å; F361-I364 HydrophobicContact CB-CG1 4.11Å; F361-I364 HydrophobicContact CD1-CG1 4.4Å; F361-I364 WeakPolarHBondContact O-CB 3.4Å; F361-I364 WeakPolarHBondContact O-CG1 3.18Å; F361-I364 PolarHBondContact O-N 3.49Å; F361-W366 HydrophobicContact CB-CH2 4.36Å; F361-W366 HydrophobicContact CB-CZ2 3.53Å; F361-W366 AromaticContact CD1-CH2 3.77Å; F361-W366 HydrophobicContact CD1-CH2 3.77Å; F361-W366 AromaticContact CD1-CZ2 3.82Å; F361-W366 HydrophobicContact CD1-CZ2 3.82Å; F361-W366 HydrophobicContact CD2-CH2 4.09Å; F361-W366 AromaticContact CD2-CZ2 3.81Å; F361-W366 HydrophobicContact CD2-CZ2 3.81Å; F361-W366 AromaticContact CE1-CH2 3.95Å; F361-W366 HydrophobicContact CE1-CH2 3.95Å; F361-W366 HydrophobicContact CE1-CZ2 4.42Å; F361-W366 HydrophobicContact CE2-CH2 4.27Å; F361-W366 HydrophobicContact CE2-CZ2 4.42Å; F361-W366 AromaticContact CG-CH2 3.83Å; F361-W366 HydrophobicContact CG-CH2 3.83Å; F361-W366 AromaticContact CG-CZ2 3.45Å; F361-W366 HydrophobicContact CG-CZ2 3.45Å; F361-W366 VanDerWaalsContact CG-CZ2 3.45Å; F361-W366 HydrophobicContact CZ-CH2 4.19Å
362K90.8Very high91.8Very high185 Ų18569.2 Ų69.280%0.80436%0.363SS*.THydrogen-bonded Turntrans-58.8106.8-179.6177.9-173173.2-171.40111.1P359 F360P359-K362 WeakPolarHBondContact O-CB 3.12Å; P359-K362 PolarHBondContact O-N 3.32Å; F360-K362 VanDerWaalsContact C-N 3.32Å
363G89.5Confident91.8Very high82 Ų8276.4 Ų76.485%0.84540%0.396SS*.THydrogen-bonded Turntrans113-7.5-178.500000114.5F361F361-G363 PolarHBondContact O-N 2.82Å
364I92Very high92Very high37 Ų3770.7 Ų70.719%0.1937%0.372CS..  trans-71.2127.8170-63.2-62000110R198 A202 F361 W366 I369R198-I364 HydrophobicContact CG-CD1 4.23Å; R198-I364 HydrophobicContact CG-CG1 4.27Å; A202-I364 HydrophobicContact CB-CD1 4.43Å; A202-I364 HydrophobicContact CB-CG1 4.33Å; A202-I364 HydrophobicContact CB-CG2 4.01Å; F361-I364 HydrophobicContact CB-CB 4.4Å; F361-I364 HydrophobicContact CB-CG1 4.11Å; F361-I364 HydrophobicContact CD1-CG1 4.4Å; F361-I364 WeakPolarHBondContact O-CB 3.4Å; F361-I364 WeakPolarHBondContact O-CG1 3.18Å; F361-I364 PolarHBondContact O-N 3.49Å; I364-W366 HydrophobicContact CG2-CD2 3.91Å; I364-W366 HydrophobicContact CG2-CE3 4.38Å; I364-W366 HydrophobicContact CG2-CG 4.07Å; I364-W366 PolarHBondContact O-N 3.45Å; I364-I369 HydrophobicContact CG2-CD1 4.13Å
365D91.4Very high92Very high84 Ų8472.2 Ų72.245%0.44938%0.383SS..  trans-88.394.2166-177-21.1000109.1E367 N368 I369D365-E367 PolarHBondContact O-N 3.46Å; D365-E367 PolarHBondContact OD1-N 3Å; D365-E367 VanDerWaalsContact OD1-N 3.07Å; D365-N368 VanDerWaalsContact CG-ND2 3.31Å; D365-N368 PolarHBondContact O-N 3.39Å; D365-N368 PolarHBondContact OD1-N 2.79Å; D365-N368 PolarHBondContact OD1-ND2 2.77Å; D365-N368 VanDerWaalsContact OD1-ND2 3.08Å; D365-N368 PolarHBondContact OD2-ND2 3.18Å; D365-I369 VanDerWaalsContact O-CB 3.31Å; D365-I369 WeakPolarHBondContact O-CB 3.33Å; D365-I369 PolarHBondContact O-N 2.94Å
366W92.1Very high91.9Very high37 Ų3774 Ų7414%0.1439%0.391CS..THydrogen-bonded Turntrans-64.5-22-177.7-62.193.6000114.1A202 V205 L206 L352 F355 E356 F361 I364A202-W366 HydrophobicContact CB-CE3 4.48Å; A202-W366 HydrophobicContact CB-CH2 4.11Å; A202-W366 HydrophobicContact CB-CZ3 3.91Å; V205-W366 HydrophobicContact CB-CH2 4.37Å; V205-W366 HydrophobicContact CB-CZ3 4.03Å; V205-W366 HydrophobicContact CG1-CH2 4.12Å; V205-W366 HydrophobicContact CG1-CZ3 3.79Å; L206-W366 HydrophobicContact CD1-CE3 4.09Å; L206-W366 HydrophobicContact CD2-CE3 4.07Å; L206-W366 HydrophobicContact CG-CE3 3.91Å; L206-W366 HydrophobicContact CG-CZ3 4.27Å; L352-W366 HydrophobicContact CD1-CE3 4Å; L352-W366 HydrophobicContact CD1-CZ3 4Å; F355-W366 HydrophobicContact CB-CH2 3.8Å; F355-W366 HydrophobicContact CB-CZ2 4.1Å; E356-W366 HydrophobicContact CG-CD2 4.4Å; E356-W366 HydrophobicContact CG-CG 4.28Å; F361-W366 HydrophobicContact CB-CH2 4.36Å; F361-W366 HydrophobicContact CB-CZ2 3.53Å; F361-W366 AromaticContact CD1-CH2 3.77Å; F361-W366 HydrophobicContact CD1-CH2 3.77Å; F361-W366 AromaticContact CD1-CZ2 3.82Å; F361-W366 HydrophobicContact CD1-CZ2 3.82Å; F361-W366 HydrophobicContact CD2-CH2 4.09Å; F361-W366 AromaticContact CD2-CZ2 3.81Å; F361-W366 HydrophobicContact CD2-CZ2 3.81Å; F361-W366 AromaticContact CE1-CH2 3.95Å; F361-W366 HydrophobicContact CE1-CH2 3.95Å; F361-W366 HydrophobicContact CE1-CZ2 4.42Å; F361-W366 HydrophobicContact CE2-CH2 4.27Å; F361-W366 HydrophobicContact CE2-CZ2 4.42Å; F361-W366 AromaticContact CG-CH2 3.83Å; F361-W366 HydrophobicContact CG-CH2 3.83Å; F361-W366 AromaticContact CG-CZ2 3.45Å; F361-W366 HydrophobicContact CG-CZ2 3.45Å; F361-W366 VanDerWaalsContact CG-CZ2 3.45Å; F361-W366 HydrophobicContact CZ-CH2 4.19Å; I364-W366 HydrophobicContact CG2-CD2 3.91Å; I364-W366 HydrophobicContact CG2-CE3 4.38Å; I364-W366 HydrophobicContact CG2-CG 4.07Å; I364-W366 PolarHBondContact O-N 3.45Å
367E88.3Confident91.8Very high167 Ų16775.2 Ų75.278%0.7839%0.394SS*.THydrogen-bonded Turntrans-78.5-39.8175.4-67.9-164.8155.200111.2D365D365-E367 PolarHBondContact O-N 3.46Å; D365-E367 PolarHBondContact OD1-N 3Å; D365-E367 VanDerWaalsContact OD1-N 3.07Å
368N90.4Very high91.7Very high69 Ų6967.8 Ų67.837%0.36936%0.358SS..THydrogen-bonded Turntrans-1157.2-168-49.8-72.7000115D365 K370 E371 A372D365-N368 VanDerWaalsContact CG-ND2 3.31Å; D365-N368 PolarHBondContact O-N 3.39Å; D365-N368 PolarHBondContact OD1-N 2.79Å; D365-N368 PolarHBondContact OD1-ND2 2.77Å; D365-N368 VanDerWaalsContact OD1-ND2 3.08Å; D365-N368 PolarHBondContact OD2-ND2 3.18Å; N368-K370 PolarHBondContact O-N 2.82Å; N368-K370 VanDerWaalsContact O-N 3.11Å; N368-E371 WeakPolarHBondContact O-CA 3.39Å; N368-E371 WeakPolarHBondContact O-CB 3.25Å; N368-E371 PolarHBondContact O-N 3.09Å; N368-A372 PolarHBondContact O-N 3.25Å
369I92.8Very high91.3Very high7 Ų775.2 Ų75.24%0.03639%0.393CS..G310 helixtrans-54.8-29.6178.2-177.2172.2000113.7W155 F199 A202 E203 L206 I364 D365 E371 A372W155-I369 HydrophobicContact CH2-CG2 4.07Å; F199-I369 HydrophobicContact CD2-CD1 4.05Å; F199-I369 HydrophobicContact CD2-CG1 4.1Å; F199-I369 HydrophobicContact CE2-CD1 4.09Å; F199-I369 HydrophobicContact CE2-CG1 3.67Å; F199-I369 HydrophobicContact CZ-CG1 4.15Å; A202-I369 HydrophobicContact CB-CD1 3.71Å; E203-I369 HydrophobicContact CG-CD1 3.73Å; E203-I369 HydrophobicContact CG-CG1 4.02Å; L206-I369 HydrophobicContact CD1-CG2 3.48Å; L206-I369 VanDerWaalsContact CD1-CG2 3.48Å; I364-I369 HydrophobicContact CG2-CD1 4.13Å; D365-I369 VanDerWaalsContact O-CB 3.31Å; D365-I369 WeakPolarHBondContact O-CB 3.33Å; D365-I369 PolarHBondContact O-N 2.94Å; I369-E371 PolarHBondContact O-N 2.92Å; I369-A372 WeakPolarHBondContact O-CB 3.48Å; I369-A372 PolarHBondContact O-N 3.46Å
370K89.9Confident90.9Very high43 Ų4374.5 Ų74.519%0.18738%0.384CS..G310 helixtrans-71.6-11.6173.1-148.382.1-158.8172.80114.3R154 W155 E203 V234 N368R154-K370 WeakPolarHBondContact O-CE 3.4Å; R154-K370 PolarHBondContact O-NZ 3.39Å; W155-K370 HydrophobicContact CE3-CD 4.03Å; W155-K370 HydrophobicContact CH2-CB 4.15Å; W155-K370 HydrophobicContact CH2-CD 3.32Å; W155-K370 HydrophobicContact CH2-CG 4.34Å; W155-K370 HydrophobicContact CZ2-CB 4.35Å; W155-K370 HydrophobicContact CZ2-CD 3.91Å; W155-K370 HydrophobicContact CZ3-CD 3.41Å; W155-K370 VanDerWaalsContact CZ3-CD 3.41Å; E203-K370 WeakPolarHBondContact OE1-CD 3.2Å; E203-K370 WeakPolarHBondContact OE1-CE 3.49Å; E203-K370 IonicContact OE1-NZ 2.69Å; E203-K370 PolarHBondContact OE1-NZ 2.77Å; E203-K370 IonicContact OE2-NZ 3.22Å; V234-K370 PolarHBondContact O-NZ 2.79Å; N368-K370 PolarHBondContact O-N 2.82Å; N368-K370 VanDerWaalsContact O-N 3.11Å
371E88.8Confident90.4Very high172 Ų17279 Ų7980%0.80442%0.417SS*.G310 helixtrans-104.6-7.6173.7-56.7-165.617200112.5N368 I369N368-E371 WeakPolarHBondContact O-CA 3.39Å; N368-E371 WeakPolarHBondContact O-CB 3.25Å; N368-E371 PolarHBondContact O-N 3.09Å; I369-E371 PolarHBondContact O-N 2.92Å
372A88.7Confident90Very high48 Ų4880.7 Ų80.740%0.39743%0.429SS..SBendtrans-73.6163.1170.700000111.4F199 H233 N368 I369F199-A372 HydrophobicContact CE2-CB 4.47Å; H233-A372 PolarHBondContact CE1-O 3.39Å; H233-A372 PolarHBondContact NE2-O 2.86Å; N368-A372 PolarHBondContact O-N 3.25Å; I369-A372 WeakPolarHBondContact O-CB 3.48Å; I369-A372 PolarHBondContact O-N 3.46Å
373E90Very high89.8Confident173 Ų17376.4 Ų76.481%0.80842%0.42SS*.PPolyproline II helixtrans-81.4122.7173.5-173.2160.2-14800110
374A93.2Very high89.7Confident8 Ų874.8 Ų74.87%0.06639%0.393CS..PPolyproline II helixtrans-68145.9178.100000111.6F199 Y376F199-A374 HydrophobicContact CE1-CB 3.76Å; F199-A374 HydrophobicContact CZ-CB 3.78Å; A374-Y376 VanDerWaalsContact C-N 3.34Å; A374-Y376 PolarHBondContact O-N 3.41Å
375P93.2Very high89.5Confident56 Ų5673.9 Ų73.936%0.36439%0.389SS..SBendtrans-72.5-22.3-167.928.7-36.8000114.5M196 F199 Y200M196-P375 HydrophobicContact CB-CB 4.24Å; M196-P375 HydrophobicContact CB-CG 4.13Å; M196-P375 HydrophobicContact CE-CB 4.23Å; M196-P375 HydrophobicContact CE-CG 4.39Å; M196-P375 HydrophobicContact CG-CB 3.84Å; M196-P375 HydrophobicContact CG-CG 4.29Å; F199-P375 HydrophobicContact CB-CG 4.02Å; F199-P375 HydrophobicContact CD1-CG 3.99Å; F199-P375 HydrophobicContact CG-CG 4.04Å; Y200-P375 HydrophobicContact CD2-CG 4.4Å; Y200-P375 HydrophobicContact CE2-CG 3.72Å
376Y92.7Very high89.3Confident38 Ų3870.6 Ų70.615%0.14937%0.372CS..  trans-126.5130.6168169.3-96.2000109.7L184 K187 F188 Y200 G232 A374 P378L184-Y376 HydrophobicContact CD1-CD1 3.35Å; L184-Y376 HydrophobicContact CD1-CD2 4.07Å; L184-Y376 HydrophobicContact CD1-CE1 3.59Å; L184-Y376 HydrophobicContact CD1-CE2 4.28Å; L184-Y376 HydrophobicContact CD1-CG 3.59Å; L184-Y376 HydrophobicContact CD2-CD1 4.16Å; L184-Y376 HydrophobicContact CG-CD1 4.39Å; K187-Y376 PolarHBondContact NZ-OH 2.75Å; K187-Y376 VanDerWaalsContact NZ-OH 3.09Å; F188-Y376 AromaticContact CE2-CD2 3.73Å; F188-Y376 HydrophobicContact CE2-CD2 3.73Å; F188-Y376 HydrophobicContact CE2-CE2 4.13Å; F188-Y376 HydrophobicContact CE2-CG 4.25Å; F188-Y376 AromaticContact CZ-CD2 3.95Å; F188-Y376 HydrophobicContact CZ-CD2 3.95Å; Y200-Y376 PolarHBondContact OH-N 2.88Å; Y200-Y376 PolarHBondContact OH-O 3.17Å; G232-Y376 VanDerWaalsContact CA-O 3.28Å; G232-Y376 WeakPolarHBondContact CA-O 3.16Å; A374-Y376 VanDerWaalsContact C-N 3.34Å; A374-Y376 PolarHBondContact O-N 3.41Å; Y376-P378 HydrophobicContact CD1-CG 4.21Å; Y376-P378 HydrophobicContact CE1-CB 4.04Å; Y376-P378 HydrophobicContact CE1-CG 3.84Å
377K90.4Very high89.1Confident117 Ų11772.6 Ų72.651%0.50939%0.392SS..  trans-107.4116.1175-170.9165.4-167.6139.70109.6I230 N231I230-K377 WeakPolarHBondContact O-CE 3.37Å; N231-K377 PolarHBondContact OD1-NZ 2.72Å
378P89.6Confident89.1Confident9 Ų965 Ų656%0.05836%0.356CS..  trans-59.2137.4-176-26.634000114.2G178 L228 Y376 I380G178-P378 VanDerWaalsContact CA-CB 3.47Å; L228-P378 HydrophobicContact CB-CG 4.27Å; Y376-P378 HydrophobicContact CD1-CG 4.21Å; Y376-P378 HydrophobicContact CE1-CB 4.04Å; Y376-P378 HydrophobicContact CE1-CG 3.84Å; P378-I380 HydrophobicContact CB-CD1 4.33Å; P378-I380 HydrophobicContact CB-CG1 4.29Å
379E87.3Confident88.9Confident162 Ų16262.9 Ų62.976%0.75734%0.344SS*.  trans-73128167.3-63.4-167.3175.900109.6N388E379-N388 PolarHBondContact O-ND2 3.43Å
380I86.8Confident88.2Confident63 Ų6369.1 Ų69.132%0.32337%0.373SS..  trans-137.2111.6-171.9-63.9157000108.6V177 I230 P378V177-I380 HydrophobicContact CG1-CD1 3.78Å; V177-I380 HydrophobicContact CG1-CG1 4.05Å; V177-I380 HydrophobicContact CG1-CG2 4Å; V177-I380 HydrophobicContact CG2-CG1 4.3Å; V177-I380 HydrophobicContact CG2-CG2 3.7Å; I230-I380 HydrophobicContact CB-CD1 4.22Å; I230-I380 HydrophobicContact CG2-CD1 4.1Å; P378-I380 HydrophobicContact CB-CD1 4.33Å; P378-I380 HydrophobicContact CB-CG1 4.29Å
381S85.2Confident87.5Confident100 Ų10069.1 Ų69.170%0.69938%0.376SS*.SBendtrans-80.6-28.1178.870.10000113.5D385S381-D385 VanDerWaalsContact CB-OD2 3.24Å; S381-D385 WeakPolarHBondContact CB-OD2 3.01Å; S381-D385 PolarHBondContact N-OD2 3.42Å; S381-D385 PolarHBondContact OG-OD2 2.97Å
382S86.7Confident86.2Confident38 Ų3867.5 Ų67.527%0.26637%0.369SS..  trans-161.6162179.970.10000112.1T384 D385S382-T384 PolarHBondContact O-N 2.99Å; S382-T384 PolarHBondContact OG-N 2.92Å; S382-T384 PolarHBondContact OG-OG1 3.35Å; S382-D385 WeakPolarHBondContact O-CB 3.43Å; S382-D385 PolarHBondContact O-N 3.33Å; S382-D385 PolarHBondContact OG-N 2.9Å; S382-D385 VanDerWaalsContact OG-N 3.15Å
383P85.9Confident84.5Confident95 Ų9572.8 Ų72.862%0.61739%0.39SS*.THydrogen-bonded Turntrans-62.9-3.8171.2-22.734.6000115.1I121I121-P383 HydrophobicContact CG1-CB 4.12Å; I121-P383 WeakPolarHBondContact CG2-O 3.39Å
384T87.4Confident82.7Confident48 Ų4867.5 Ų67.529%0.29437%0.373SS..THydrogen-bonded Turntrans-115.65.8178.446.80000112.9L81 I121 S382L81-T384 HydrophobicContact CD1-CG2 3.45Å; L81-T384 VanDerWaalsContact CD1-CG2 3.45Å; I121-T384 HydrophobicContact CD1-CG2 3.43Å; I121-T384 VanDerWaalsContact CD1-CG2 3.43Å; I121-T384 HydrophobicContact CG1-CG2 3.64Å; I121-T384 HydrophobicContact CG2-CG2 4.28Å; S382-T384 PolarHBondContact O-N 2.99Å; S382-T384 PolarHBondContact OG-N 2.92Å; S382-T384 PolarHBondContact OG-OG1 3.35Å
385D88.1Confident80.6Confident18 Ų1873.6 Ų73.610%0.09640%0.404CS..  trans-67.1131.9-177.7-168.7-14.6000110.8Y175 V177 S381 S382 S387Y175-D385 VanDerWaalsContact CE1-O 3.3Å; Y175-D385 WeakPolarHBondContact CE1-O 2.95Å; Y175-D385 PolarHBondContact OH-O 3.15Å; V177-D385 HydrophobicContact CG2-CB 3.99Å; S381-D385 VanDerWaalsContact CB-OD2 3.24Å; S381-D385 WeakPolarHBondContact CB-OD2 3.01Å; S381-D385 PolarHBondContact N-OD2 3.42Å; S381-D385 PolarHBondContact OG-OD2 2.97Å; S382-D385 WeakPolarHBondContact O-CB 3.43Å; S382-D385 PolarHBondContact O-N 3.33Å; S382-D385 PolarHBondContact OG-N 2.9Å; S382-D385 VanDerWaalsContact OG-N 3.15Å; D385-S387 VanDerWaalsContact CG-OG 3.28Å; D385-S387 VanDerWaalsContact OD1-CB 3.26Å; D385-S387 WeakPolarHBondContact OD1-CB 3.09Å; D385-S387 PolarHBondContact OD1-N 2.77Å; D385-S387 PolarHBondContact OD1-OG 2.78Å; D385-S387 PolarHBondContact OD2-OG 3.35Å
386T88.2Confident78.8Confident14 Ų1474.6 Ų74.69%0.08640%0.403CS..  trans-121.120176920000112.3K82 I84 V112 N388 F389K82-T386 HydrophobicContact CB-CG2 4.36Å; K82-T386 HydrophobicContact CD-CG2 3.97Å; K82-T386 WeakPolarHBondContact CD-OG1 3.45Å; K82-T386 WeakPolarHBondContact CE-OG1 3.07Å; K82-T386 HydrophobicContact CG-CG2 4.48Å; K82-T386 PolarHBondContact NZ-OG1 3.05Å; I84-T386 HydrophobicContact CG2-CG2 3.9Å; V112-T386 HydrophobicContact CG2-CG2 3.98Å; T386-N388 PolarHBondContact O-N 2.86Å; T386-F389 PolarHBondContact O-N 3.38Å
387S87.3Confident76.8Confident80 Ų8079.3 Ų79.356%0.55943%0.428SS*.THydrogen-bonded Turntrans-68.6-22.6177.455.60000113.1D385 F389D385-S387 VanDerWaalsContact CG-OG 3.28Å; D385-S387 VanDerWaalsContact OD1-CB 3.26Å; D385-S387 WeakPolarHBondContact OD1-CB 3.09Å; D385-S387 PolarHBondContact OD1-N 2.77Å; D385-S387 PolarHBondContact OD1-OG 2.78Å; D385-S387 PolarHBondContact OD2-OG 3.35Å; S387-F389 PolarHBondContact O-N 3.45Å
388N89Confident75Confident6 Ų678.4 Ų78.43%0.03243%0.434CS..THydrogen-bonded Turntrans-86.222.2175-59.1-44.2000113.6V177 G178 G179 K187 E379 T386V177-N388 PolarHBondContact O-ND2 2.75Å; G178-N388 WeakPolarHBondContact O-CB 3.2Å; G179-N388 WeakPolarHBondContact CA-O 3.4Å; K187-N388 PolarHBondContact NZ-OD1 2.82Å; E379-N388 PolarHBondContact O-ND2 3.43Å; T386-N388 PolarHBondContact O-N 2.86Å
389F85.1Confident73.4Confident25 Ų2580 Ų8011%0.1144%0.444CS..SBendtrans-143.2139.8177.6-71.3-83.9000110.2Y175 Y176 D180 L227 T386 S387 V391Y175-F389 HydrophobicContact CE2-CD2 4.23Å; Y175-F389 AromaticContact CE2-CE2 3.48Å; Y175-F389 HydrophobicContact CE2-CE2 3.48Å; Y175-F389 VanDerWaalsContact CE2-CE2 3.48Å; Y175-F389 AromaticContact CE2-CZ 3.96Å; Y175-F389 HydrophobicContact CE2-CZ 3.96Å; Y175-F389 AromaticContact CZ-CE2 3.65Å; Y175-F389 VanDerWaalsContact OH-CD2 3.25Å; Y175-F389 WeakPolarHBondContact OH-CD2 3.34Å; Y175-F389 WeakPolarHBondContact OH-CE2 3.29Å; Y176-F389 WeakPolarHBondContact O-CE2 3.13Å; Y176-F389 VanDerWaalsContact O-CZ 3.23Å; Y176-F389 WeakPolarHBondContact O-CZ 3.41Å; D180-F389 WeakPolarHBondContact OD2-CD1 3.16Å; L227-F389 HydrophobicContact CD2-CE1 4.18Å; T386-F389 PolarHBondContact O-N 3.38Å; S387-F389 PolarHBondContact O-N 3.45Å; F389-V391 HydrophobicContact CB-CG2 4.36Å
390E79.2Confident71.9Confident138 Ų13877.5 Ų77.565%0.64544%0.436SS*.  trans-70130.3167.2-62.7-149.8137.100111
391V74.6Confident71Confident43 Ų4376.3 Ų76.326%0.26143%0.432SS..  trans-136.5119.7-178.3-173.90000112.8V83 I84 F389 D393V83-V391 WeakPolarHBondContact O-CG1 3.38Å; I84-V391 HydrophobicContact CB-CG2 4.31Å; I84-V391 HydrophobicContact CG2-CG2 4.12Å; F389-V391 HydrophobicContact CB-CG2 4.36Å; V391-D393 PolarHBondContact O-N 3.38Å
392E62.1Low70.4Confident138 Ų13873.8 Ų73.865%0.64541%0.409SS*.  trans-69.7117.5168.8-63.4-173.7142.800112.6R86 S394R86-E392 IonicContact CZ-OE2 3.65Å; R86-E392 IonicContact NH1-OE2 2.83Å; R86-E392 PolarHBondContact NH1-OE2 2.85Å; E392-S394 PolarHBondContact O-N 2.84Å
393D53.1Low70Confident159 Ų15972.7 Ų72.785%0.8540%0.401SS*.  trans-69.485.1171.8-80.7-31.7000112.2V391V391-D393 PolarHBondContact O-N 3.38Å
394S51.4Low69.4Low63 Ų6370.3 Ų70.344%0.44139%0.385SS..  trans-151.7146.4169.3510000113.8R86 E392R86-S394 PolarHBondContact NH1-OG 2.65Å; R86-S394 PolarHBondContact NH2-O 2.68Å; R86-S394 PolarHBondContact NH2-OG 2.8Å; E392-S394 PolarHBondContact O-N 2.84Å
395D49.5Very low68.5Low135 Ų13569.3 Ų69.372%0.72238%0.378SS*.  trans-60.6161.1-168.5-74.2-55.5000116.1M397D395-M397 PolarHBondContact O-N 3.07Å
396F55.6Low67.6Low78 Ų7871 Ų7134%0.34239%0.389SS..  trans-71.268.1174.2-167-94000112.1L80 V83 K109 I126 P398L80-F396 HydrophobicContact CD2-CD2 3.92Å; L80-F396 HydrophobicContact CD2-CE2 4.18Å; L80-F396 HydrophobicContact CD2-CG 4.34Å; V83-F396 HydrophobicContact CG2-CD2 4.08Å; K109-F396 HydrophobicContact CD-CE2 4.41Å; I126-F396 HydrophobicContact CD1-CE2 4.22Å; I126-F396 HydrophobicContact CD1-CZ 4.27Å; F396-P398 VanDerWaalsContact O-CD 3.3Å; F396-P398 WeakPolarHBondContact O-CD 3.24Å
397M50.3Low66.3Low137 Ų13773.1 Ų73.168%0.67540%0.404SS*.  trans-60.3121.2168.3-77.9-75.4103.800110.4K109 D395K109-M397 PolarHBondContact NZ-O 2.62Å; D395-M397 PolarHBondContact O-N 3.07Å
398P53.4Low65.4Low97 Ų9771.5 Ų71.563%0.6340%0.396SS*.  trans-64.3144174.4-21.734.5000111.6F396 D400F396-P398 VanDerWaalsContact O-CD 3.3Å; F396-P398 WeakPolarHBondContact O-CD 3.24Å; P398-D400 PolarHBondContact O-N 3.38Å
399C54.8Low64.5Low42 Ų4274.7 Ų74.728%0.28442%0.417SS..  trans-75.9110.2172.4-171.50000109.5N128 T401N128-C399 HydrophobicContact CB-CB 4.41Å; C399-T401 PolarHBondContact O-N 2.78Å; C399-T401 VanDerWaalsContact O-N 3.12Å
400D56.6Low64.4Low110 Ų11076.6 Ų76.659%0.58843%0.425SS*.  trans-75.37.6-174.3-126.87.8000113.6P398 K402P398-D400 PolarHBondContact O-N 3.38Å; D400-K402 WeakPolarHBondContact O-CE 3.29Å; D400-K402 WeakPolarHBondContact O-CG 3.29Å
401T68.3Low64.6Low39 Ų3970.8 Ų70.824%0.23940%0.399CS..  trans-71.1144.2-178.9-59.30000111.4W130 E131 C399W130-T401 HydrophobicContact CB-CG2 3.74Å; E131-T401 HydrophobicContact CG-CG2 3.94Å; E131-T401 WeakPolarHBondContact OE1-CB 3.4Å; E131-T401 WeakPolarHBondContact OE1-CG2 3.37Å; E131-T401 PolarHBondContact OE1-OG1 3.07Å; C399-T401 PolarHBondContact O-N 2.78Å; C399-T401 VanDerWaalsContact O-N 3.12Å
402K72.9Confident65.1Low47 Ų4769.7 Ų69.720%0.20440%0.397CS..  trans-124.5146.4-159.4-44.8-175.7-177.3166.20108.2D400 V1261 T1262 N1320D400-K402 WeakPolarHBondContact O-CE 3.29Å; D400-K402 WeakPolarHBondContact O-CG 3.29Å; K402-V1261 PolarHBondContact NZ-O 2.68Å; K402-T1262 HydrophobicContact CD-CG2 3.87Å; K402-N1320 PolarHBondContact NZ-OD1 3.06Å
403P76.9Confident66.2Low14 Ų1464.3 Ų64.39%0.09137%0.371CS..  trans-54.7148.6-178.219.3-31.1000112.1W130 K1265W130-P403 HydrophobicContact CD2-CB 3.81Å; W130-P403 HydrophobicContact CE3-CB 3.9Å; W130-P403 HydrophobicContact CG-CB 4.48Å; W130-P403 HydrophobicContact CH2-CB 3.86Å; W130-P403 HydrophobicContact CZ2-CB 3.79Å; W130-P403 HydrophobicContact CZ2-CG 4.33Å; W130-P403 HydrophobicContact CZ3-CB 3.93Å; P403-K1265 HydrophobicContact CG-CG 3.9Å
404P74.3Confident68Low45 Ų4557.9 Ų57.929%0.29234%0.336SS..  trans-49.3155.4166.9-2836.4000112.3L133 V406 H413L133-P404 HydrophobicContact CB-CG 4.13Å; L133-P404 HydrophobicContact CD1-CG 4.03Å; P404-V406 HydrophobicContact CB-CG2 4.06Å; P404-H413 PolarHBondContact O-CE1 3.2Å; P404-H413 PolarHBondContact O-NE2 2.75Å; P404-H413 VanDerWaalsContact O-NE2 3.1Å
405N68.7Low69.9Low28 Ų2858.9 Ų58.915%0.1534%0.336CS..  trans-98.6103.2172.8-72.5-54.2000108.3S1263 Q1309 K1312N405-S1263 PolarHBondContact ND2-OG 3.36Å; N405-S1263 VanDerWaalsContact OD1-CB 3.31Å; N405-S1263 WeakPolarHBondContact OD1-CB 3.43Å; N405-S1263 PolarHBondContact OD1-OG 3.5Å; N405-Q1309 PolarHBondContact O-NE2 3.46Å; N405-K1312 WeakPolarHBondContact OD1-CE 3.43Å; N405-K1312 PolarHBondContact OD1-NZ 2.94Å
406V67.9Low71.7Confident52 Ų5254.3 Ų54.332%0.31531%0.314SS..  trans-120.3157-175.9-177.30000111.4P404 T411 H413 R1274 L1278P404-V406 HydrophobicContact CB-CG2 4.06Å; V406-T411 WeakPolarHBondContact CG1-O 3.26Å; V406-H413 WeakPolarHBondContact CB-NE2 3.05Å; V406-H413 VanDerWaalsContact CG2-NE2 3.27Å; V406-H413 WeakPolarHBondContact CG2-NE2 3.45Å; V406-R1274 PolarHBondContact O-NH2 3.48Å; V406-L1278 VanDerWaalsContact C-CD2 3.47Å; V406-L1278 VanDerWaalsContact O-CD2 3.22Å; V406-L1278 WeakPolarHBondContact O-CD2 3.5Å
407S60.9Low73.5Confident59 Ų5950.6 Ų50.641%0.41330%0.298SS..  trans-113-15.7-147.752.10000121.2L1278S407-L1278 VanDerWaalsContact CA-CD2 3.45Å; S407-L1278 VanDerWaalsContact CB-CD1 3.45Å
408A69.2Low75.4Confident46 Ų4646.1 Ų46.138%0.3828%0.276SS..SBendtrans-76.1-153.6-169.800000113.6R1274A408-R1274 WeakPolarHBondContact O-CB 3.39Å; A408-R1274 WeakPolarHBondContact O-CD 3.13Å; A408-R1274 WeakPolarHBondContact O-CG 3.29Å; A408-R1274 PolarHBondContact O-NE 3.47Å; A408-R1274 PolarHBondContact O-NH1 3.09Å
409P70.4Confident77.2Confident74 Ų7442 Ų4248%0.48125%0.252SS..SBendtrans-88-34.9157.7-24.538.7000115S46 L48 R1274S46-P409 VanDerWaalsContact CB-O 3.23Å; S46-P409 WeakPolarHBondContact CB-O 3.49Å; S46-P409 PolarHBondContact OG-O 3.2Å; L48-P409 HydrophobicContact CD2-CB 3.68Å; L48-P409 HydrophobicContact CG-CB 4.21Å; P409-R1274 WeakPolarHBondContact O-CD 3.14Å; P409-R1274 PolarHBondContact O-NH1 3.4Å
410F82Confident79Confident65 Ų6540.3 Ų40.329%0.28524%0.239SC..SBendtrans-102.4126.9175.8-179.3-79.2000110.5L39 E42 L48 L415 R1274L39-F410 HydrophobicContact CD1-CE2 3.96Å; E42-F410 HydrophobicContact CB-CD2 3.62Å; E42-F410 HydrophobicContact CB-CE2 3.48Å; E42-F410 VanDerWaalsContact CB-CE2 3.48Å; E42-F410 HydrophobicContact CB-CG 4.32Å; E42-F410 HydrophobicContact CB-CZ 4.06Å; E42-F410 HydrophobicContact CG-CD1 4.44Å; E42-F410 HydrophobicContact CG-CD2 4.01Å; E42-F410 HydrophobicContact CG-CE1 4.02Å; E42-F410 HydrophobicContact CG-CE2 3.58Å; E42-F410 HydrophobicContact CG-CG 4.43Å; E42-F410 HydrophobicContact CG-CZ 3.58Å; E42-F410 WeakPolarHBondContact OE1-CE1 3.28Å; L48-F410 HydrophobicContact CD1-CB 4.04Å; L48-F410 HydrophobicContact CD1-CD2 4.27Å; F410-L415 HydrophobicContact CE1-CD1 3.8Å; F410-L415 HydrophobicContact CE1-CD2 3.82Å; F410-L415 HydrophobicContact CE1-CG 3.77Å; F410-L415 HydrophobicContact CZ-CD2 3.93Å; F410-L415 HydrophobicContact CZ-CG 4.35Å; F410-R1274 PolarHBondContact O-NH1 3.09Å
411T83.6Confident80.7Confident15 Ų1535.2 Ų35.29%0.09221%0.212CC..  trans-68.9-38.6-164.873.20000115.1E42 V406 H413 E1266E42-T411 VanDerWaalsContact CD-N 3.31Å; E42-T411 PolarHBondContact OE1-N 3.39Å; E42-T411 PolarHBondContact OE1-OG1 3.34Å; E42-T411 WeakPolarHBondContact OE2-CA 3.38Å; E42-T411 WeakPolarHBondContact OE2-CB 3.46Å; E42-T411 VanDerWaalsContact OE2-CG2 3.3Å; E42-T411 WeakPolarHBondContact OE2-CG2 3.44Å; E42-T411 PolarHBondContact OE2-N 3.27Å; E42-T411 PolarHBondContact OE2-OG1 3.37Å; V406-T411 WeakPolarHBondContact CG1-O 3.26Å; T411-H413 PolarHBondContact O-N 2.84Å; T411-H413 WeakPolarHBondContact OG1-CB 3.31Å; T411-H413 PolarHBondContact OG1-N 2.98Å; T411-H413 VanDerWaalsContact OG1-N 3.08Å; T411-E1266 VanDerWaalsContact CG2-CD 3.46Å; T411-E1266 WeakPolarHBondContact CG2-OE1 3.42Å; T411-E1266 VanDerWaalsContact CG2-OE2 3.24Å; T411-E1266 WeakPolarHBondContact CG2-OE2 3.23Å
412G85.8Confident81.9Confident21 Ų2133.4 Ų33.422%0.21620%0.201CC..  trans75.3-4.2-168.600000113.2E42 H414 L415 P416E42-G412 WeakPolarHBondContact OE1-CA 3.16Å; E42-G412 PolarHBondContact OE1-N 3.35Å; G412-H414 PolarHBondContact O-N 3.29Å; G412-H414 VanDerWaalsContact O-N 3.09Å; G412-L415 PolarHBondContact O-N 2.81Å; G412-L415 VanDerWaalsContact O-N 3.11Å; G412-P416 WeakPolarHBondContact O-CD 3.49Å
413H85.9Confident82.8Confident24 Ų2433.3 Ų33.311%0.11121%0.205CC..THydrogen-bonded Turntrans-63.8-20.7-173-69.2164000113.7W130 P404 V406 T411 F417W130-H413 HydrophobicContact CH2-CB 4.05Å; W130-H413 HydrophobicContact CZ3-CB 3.96Å; P404-H413 PolarHBondContact O-CE1 3.2Å; P404-H413 PolarHBondContact O-NE2 2.75Å; P404-H413 VanDerWaalsContact O-NE2 3.1Å; V406-H413 WeakPolarHBondContact CB-NE2 3.05Å; V406-H413 VanDerWaalsContact CG2-NE2 3.27Å; V406-H413 WeakPolarHBondContact CG2-NE2 3.45Å; T411-H413 PolarHBondContact O-N 2.84Å; T411-H413 WeakPolarHBondContact OG1-CB 3.31Å; T411-H413 PolarHBondContact OG1-N 2.98Å; T411-H413 VanDerWaalsContact OG1-N 3.08Å; H413-F417 WeakPolarHBondContact O-CE2 3.47Å
414H89.7Confident83.3Confident24 Ų2435.6 Ų35.611%0.11121%0.214CC..THydrogen-bonded Turntrans-112-3.9176-66-33.8000114.3W130 G412 F417 I418W130-H414 AromaticContact CH2-CE1 3.32Å; W130-H414 WeakPolarHBondContact CH2-CE1 3.18Å; W130-H414 AromaticContact CH2-ND1 3.88Å; W130-H414 AromaticContact CZ2-CE1 3.85Å; G412-H414 PolarHBondContact O-N 3.29Å; G412-H414 VanDerWaalsContact O-N 3.09Å; H414-F417 AromaticContact ND1-CD2 3.9Å; H414-F417 PolarHBondContact O-N 3.38Å; H414-F417 VanDerWaalsContact O-N 3.12Å; H414-I418 PolarHBondContact O-N 2.8Å
415L90.6Very high83.7Confident84 Ų8438.1 Ų38.144%0.4423%0.225SC..G310 helixtrans-57.8-41.6174-68.5177.1000113.7F410 G412 F417 I418F410-L415 HydrophobicContact CE1-CD1 3.8Å; F410-L415 HydrophobicContact CE1-CD2 3.82Å; F410-L415 HydrophobicContact CE1-CG 3.77Å; F410-L415 HydrophobicContact CZ-CD2 3.93Å; F410-L415 HydrophobicContact CZ-CG 4.35Å; G412-L415 PolarHBondContact O-N 2.81Å; G412-L415 VanDerWaalsContact O-N 3.11Å; L415-F417 PolarHBondContact O-N 3.49Å; L415-F417 VanDerWaalsContact O-N 3.09Å; L415-I418 HydrophobicContact CD2-CD1 3.54Å; L415-I418 PolarHBondContact O-N 2.93Å; L415-I418 VanDerWaalsContact O-N 3.1Å
416P88.9Confident84.4Confident40 Ų4038 Ų3826%0.2623%0.227SC..G310 helixtrans-60.1-22.2178.4-2838.5000113.5L133 F141 K142 G412L133-P416 HydrophobicContact CD2-CB 3.86Å; L133-P416 HydrophobicContact CD2-CG 3.71Å; F141-P416 VanDerWaalsContact CE2-O 3.3Å; F141-P416 WeakPolarHBondContact CE2-O 3.29Å; F141-P416 HydrophobicContact CZ-CB 4.04Å; F141-P416 VanDerWaalsContact CZ-O 3.28Å; F141-P416 WeakPolarHBondContact CZ-O 3.11Å; K142-P416 WeakPolarHBondContact CE-O 2.98Å; G412-P416 WeakPolarHBondContact O-CD 3.49Å
417F91.9Very high85.1Confident0 Ų038.9 Ų38.90%023%0.226CC..G310 helixtrans-102.45.9-178.4-42.5-60.2000113.1K129 M132 L133 F141 Q164 L169 H413 H414 L415 G419 F420K129-F417 HydrophobicContact CB-CE1 4.38Å; K129-F417 HydrophobicContact CB-CE2 3.65Å; K129-F417 HydrophobicContact CB-CZ 3.57Å; K129-F417 HydrophobicContact CD-CD2 3.65Å; K129-F417 HydrophobicContact CD-CE2 3.61Å; K129-F417 HydrophobicContact CD-CG 4.35Å; K129-F417 HydrophobicContact CD-CZ 4.24Å; K129-F417 HydrophobicContact CG-CD1 4.46Å; K129-F417 HydrophobicContact CG-CD2 3.93Å; K129-F417 HydrophobicContact CG-CE1 4.11Å; K129-F417 HydrophobicContact CG-CE2 3.55Å; K129-F417 HydrophobicContact CG-CG 4.39Å; K129-F417 HydrophobicContact CG-CZ 3.65Å; M132-F417 HydrophobicContact SD-CE1 4.5Å; L133-F417 HydrophobicContact CD1-CE2 4.29Å; L133-F417 HydrophobicContact CD1-CZ 4.19Å; L133-F417 HydrophobicContact CD2-CE1 4.41Å; L133-F417 HydrophobicContact CD2-CZ 3.84Å; L133-F417 HydrophobicContact CG-CE2 4.47Å; L133-F417 HydrophobicContact CG-CZ 3.87Å; F141-F417 HydrophobicContact CD2-CD1 4.25Å; F141-F417 HydrophobicContact CE1-CD1 4.29Å; F141-F417 AromaticContact CE1-CE1 3.9Å; F141-F417 HydrophobicContact CE1-CE1 3.9Å; F141-F417 AromaticContact CE2-CD1 3.51Å; F141-F417 HydrophobicContact CE2-CD1 3.51Å; F141-F417 AromaticContact CE2-CE1 3.97Å; F141-F417 HydrophobicContact CE2-CE1 3.97Å; F141-F417 AromaticContact CZ-CD1 3.54Å; F141-F417 HydrophobicContact CZ-CD1 3.54Å; F141-F417 AromaticContact CZ-CE1 3.59Å; F141-F417 HydrophobicContact CZ-CE1 3.59Å; Q164-F417 PolarHBondContact NE2-O 3.02Å; L169-F417 HydrophobicContact CD1-CD1 3.74Å; L169-F417 HydrophobicContact CD1-CE1 4.05Å; L169-F417 HydrophobicContact CD2-CB 3.9Å; L169-F417 HydrophobicContact CD2-CD1 3.72Å; L169-F417 HydrophobicContact CD2-CE1 4.43Å; L169-F417 HydrophobicContact CD2-CG 3.81Å; L169-F417 HydrophobicContact CG-CD1 4.16Å; L169-F417 HydrophobicContact CG-CE1 4.49Å; H413-F417 WeakPolarHBondContact O-CE2 3.47Å; H414-F417 AromaticContact ND1-CD2 3.9Å; H414-F417 PolarHBondContact O-N 3.38Å; H414-F417 VanDerWaalsContact O-N 3.12Å; L415-F417 PolarHBondContact O-N 3.49Å; L415-F417 VanDerWaalsContact O-N 3.09Å; F417-G419 PolarHBondContact O-N 3.37Å; F417-F420 HydrophobicContact CB-CB 4.43Å; F417-F420 WeakPolarHBondContact O-CB 3.49Å; F417-F420 PolarHBondContact O-N 2.81Å; F417-F420 VanDerWaalsContact O-N 3.09Å
418I91.8Very high86.2Confident43 Ų4339.1 Ų39.122%0.22122%0.222CC..THydrogen-bonded Turntrans-68131.9172-73178.4000109.1T31 D34 V35 C38 H414 L415T31-I418 HydrophobicContact CG2-CG2 4.08Å; D34-I418 HydrophobicContact CB-CB 4.42Å; D34-I418 HydrophobicContact CB-CG1 4.42Å; D34-I418 HydrophobicContact CB-CG2 4.17Å; V35-I418 HydrophobicContact CG2-CD1 4.2Å; V35-I418 HydrophobicContact CG2-CG2 3.6Å; C38-I418 HydrophobicContact CB-CD1 3.83Å; C38-I418 HydrophobicContact CB-CG1 4Å; H414-I418 PolarHBondContact O-N 2.8Å; L415-I418 HydrophobicContact CD2-CD1 3.54Å; L415-I418 PolarHBondContact O-N 2.93Å; L415-I418 VanDerWaalsContact O-N 3.1Å
419G89.4Confident86.9Confident11 Ų1137 Ų3711%0.11321%0.205CC..THydrogen-bonded Turntrans81.9-0.2-173.300000112.6T31 D34 R145 F417 T421T31-G419 WeakPolarHBondContact OG1-CA 3.36Å; D34-G419 PolarHBondContact OD2-N 3.35Å; R145-G419 PolarHBondContact NE-O 2.72Å; R145-G419 PolarHBondContact NH2-O 2.75Å; F417-G419 PolarHBondContact O-N 3.37Å; G419-T421 VanDerWaalsContact C-N 3.3Å; G419-T421 PolarHBondContact O-N 2.86Å
420F92.7Very high87.5Confident6 Ų634 Ų343%0.02619%0.185CC..  trans-65.7-36.9171.2-175.4-91.9000111.2D34 F141 R145 A162 F163 L169 L171 F417 Y422D34-F420 PolarHBondContact OD2-N 3.34Å; F141-F420 HydrophobicContact CD2-CD2 4.13Å; F141-F420 HydrophobicContact CD2-CE2 4.47Å; R145-F420 HydrophobicContact CB-CD2 3.98Å; R145-F420 HydrophobicContact CB-CE2 3.87Å; R145-F420 HydrophobicContact CG-CD2 3.96Å; R145-F420 HydrophobicContact CG-CE2 4.11Å; R145-F420 PolarHBondContact NE-O 2.81Å; A162-F420 HydrophobicContact CB-CD1 4.05Å; A162-F420 HydrophobicContact CB-CE1 3.68Å; A162-F420 HydrophobicContact CB-CZ 4.18Å; A162-F420 WeakPolarHBondContact CB-O 3.35Å; F163-F420 WeakPolarHBondContact O-CE1 3.39Å; L169-F420 HydrophobicContact CB-CD1 4.17Å; L169-F420 HydrophobicContact CB-CE1 3.59Å; L169-F420 HydrophobicContact CB-CE2 4.15Å; L169-F420 HydrophobicContact CB-CZ 3.56Å; L169-F420 HydrophobicContact CD1-CD2 3.84Å; L169-F420 HydrophobicContact CD1-CE1 4.45Å; L169-F420 HydrophobicContact CD1-CE2 3.68Å; L169-F420 HydrophobicContact CD1-CG 4.27Å; L169-F420 HydrophobicContact CD1-CZ 4Å; L169-F420 HydrophobicContact CD2-CD1 3.88Å; L169-F420 HydrophobicContact CD2-CD2 4.41Å; L169-F420 HydrophobicContact CD2-CE1 4.18Å; L169-F420 HydrophobicContact CD2-CG 4Å; L169-F420 HydrophobicContact CG-CD1 4.44Å; L169-F420 HydrophobicContact CG-CE1 4.29Å; L169-F420 HydrophobicContact CG-CE2 4.38Å; L169-F420 HydrophobicContact CG-CZ 4.24Å; L171-F420 HydrophobicContact CD2-CE1 4.19Å; L171-F420 HydrophobicContact CD2-CE2 4.05Å; L171-F420 HydrophobicContact CD2-CZ 3.42Å; L171-F420 VanDerWaalsContact CD2-CZ 3.42Å; L171-F420 HydrophobicContact CG-CZ 3.83Å; F417-F420 HydrophobicContact CB-CB 4.43Å; F417-F420 WeakPolarHBondContact O-CB 3.49Å; F417-F420 PolarHBondContact O-N 2.81Å; F417-F420 VanDerWaalsContact O-N 3.09Å; F420-Y422 PolarHBondContact O-N 2.85Å
421T93Very high87.3Confident3 Ų332 Ų322%0.01818%0.178CC..  trans-63.4137.5-177.3-52.60000111.4D34 R72 R145 A162 Q164 G419D34-T421 VanDerWaalsContact CG-OG1 3.23Å; D34-T421 VanDerWaalsContact OD1-CB 3.23Å; D34-T421 WeakPolarHBondContact OD1-CB 3.22Å; D34-T421 PolarHBondContact OD1-OG1 3.28Å; D34-T421 WeakPolarHBondContact OD2-CB 3.41Å; D34-T421 PolarHBondContact OD2-N 2.99Å; D34-T421 PolarHBondContact OD2-OG1 2.8Å; D34-T421 VanDerWaalsContact OD2-OG1 3.07Å; R72-T421 PolarHBondContact NH1-OG1 2.62Å; R145-T421 PolarHBondContact NH2-O 2.77Å; A162-T421 CarbonylContact O-C 3.37Å; A162-T421 VanDerWaalsContact O-CA 3.31Å; A162-T421 WeakPolarHBondContact O-CA 3.41Å; A162-T421 WeakPolarHBondContact O-CG2 3.04Å; Q164-T421 PolarHBondContact NE2-OG1 3.08Å; G419-T421 VanDerWaalsContact C-N 3.3Å; G419-T421 PolarHBondContact O-N 2.86Å
422Y93.1Very high86.8Confident1 Ų133.9 Ų33.90%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-152.6129.6179170.7-104.4000109.6V149 R153 L159 Y161 A162 F420 H424 S431V149-Y422 HydrophobicContact CG1-CD2 3.97Å; V149-Y422 HydrophobicContact CG1-CE2 3.81Å; V149-Y422 HydrophobicContact CG2-CD1 3.82Å; V149-Y422 HydrophobicContact CG2-CD2 3.76Å; V149-Y422 HydrophobicContact CG2-CE1 4.15Å; V149-Y422 HydrophobicContact CG2-CE2 4.13Å; V149-Y422 HydrophobicContact CG2-CG 3.59Å; R153-Y422 PolarHBondContact NH2-OH 3.42Å; L159-Y422 HydrophobicContact CD2-CD1 3.67Å; L159-Y422 HydrophobicContact CD2-CE1 4.23Å; L159-Y422 HydrophobicContact CD2-CG 4.44Å; L159-Y422 HydrophobicContact CG-CD1 4Å; L159-Y422 HydrophobicContact CG-CE1 4.34Å; Y161-Y422 CarbonylContact C-O 3.58Å; Y161-Y422 VanDerWaalsContact CA-O 3.3Å; Y161-Y422 WeakPolarHBondContact CA-O 3.46Å; A162-Y422 PolarHBondContact N-O 2.95Å; A162-Y422 PolarHBondContact O-N 2.85Å; F420-Y422 PolarHBondContact O-N 2.85Å; Y422-H424 HydrophobicContact CE1-CB 3.93Å; Y422-S431 VanDerWaalsContact CE2-OG 3.31Å; Y422-S431 WeakPolarHBondContact CE2-OG 3.36Å; Y422-S431 PolarHBondContact OH-OG 2.83Å
423T91.6Very high85.8Confident45 Ų4534.1 Ų34.128%0.27619%0.185SC..EExtended strand (participates in β ladder)trans-115.3110.8172.2-56.30000109.2E30 Y161 N425 S426E30-T423 VanDerWaalsContact OE1-CB 3.22Å; E30-T423 WeakPolarHBondContact OE1-CB 3.44Å; E30-T423 PolarHBondContact OE1-N 2.9Å; E30-T423 PolarHBondContact OE1-OG1 3.4Å; E30-T423 PolarHBondContact OE2-N 2.85Å; Y161-T423 HydrophobicContact CD1-CG2 4.01Å; Y161-T423 HydrophobicContact CE1-CG2 4.06Å; T423-N425 PolarHBondContact O-N 2.98Å; T423-S426 WeakPolarHBondContact O-CB 3.37Å; T423-S426 PolarHBondContact O-N 2.87Å
424H87.4Confident84.8Confident61 Ų6134.8 Ų34.828%0.28219%0.189SC..THydrogen-bonded Turntrans-55.5138.9177.3-178.3-80000111.4H160 Y422 S426H160-H424 WeakPolarHBondContact O-CB 3.44Å; H160-H424 PolarHBondContact O-N 3.31Å; Y422-H424 HydrophobicContact CE1-CB 3.93Å; H424-S426 PolarHBondContact O-N 3.36Å; H424-S426 VanDerWaalsContact O-N 3.17Å
425N82.5Confident83.4Confident98 Ų9835.5 Ų35.552%0.52420%0.199SC..THydrogen-bonded Turntrans60.76.7-171.7-66.9-15.7000116.4T423T423-N425 PolarHBondContact O-N 2.98Å
426S84.5Confident81.9Confident27 Ų2734 Ų3419%0.18920%0.199CC..  trans-75.1126.4170.3-179.50000110.9T423 H424 L428 S429T423-S426 WeakPolarHBondContact O-CB 3.37Å; T423-S426 PolarHBondContact O-N 2.87Å; H424-S426 PolarHBondContact O-N 3.36Å; H424-S426 VanDerWaalsContact O-N 3.17Å; S426-L428 PolarHBondContact O-N 3.49Å; S426-L428 WeakPolarHBondContact OG-CB 3.45Å; S426-L428 PolarHBondContact OG-N 3.16Å; S426-S429 WeakPolarHBondContact O-CB 3.14Å; S426-S429 PolarHBondContact O-N 2.83Å; S426-S429 VanDerWaalsContact O-N 3.07Å; S426-S429 PolarHBondContact O-OG 3.44Å
427K81.7Confident80.2Confident70 Ų7035.8 Ų35.830%0.30421%0.206SC..THydrogen-bonded Turntrans-63.8-6.2171.4-61.8-163.7175.8-172.70113.9A436 L437K427-A436 PolarHBondContact NZ-O 3.48Å; K427-L437 HydrophobicContact CB-CD1 3.88Å; K427-L437 HydrophobicContact CB-CG 4.18Å; K427-L437 HydrophobicContact CD-CD1 4.24Å; K427-L437 HydrophobicContact CD-CD2 3.75Å; K427-L437 HydrophobicContact CD-CG 3.62Å
428L84Confident78.4Confident64 Ų6440.5 Ų40.534%0.33523%0.23SC..THydrogen-bonded Turntrans-99.4-11.1178.2-54.2-175.1000112.8S28 V29 E30 S426 L434 L437S28-L428 WeakPolarHBondContact CB-O 3.44Å; V29-L428 HydrophobicContact CB-CB 3.92Å; V29-L428 HydrophobicContact CB-CD2 4.14Å; V29-L428 HydrophobicContact CB-CG 4.49Å; V29-L428 HydrophobicContact CG1-CB 4.11Å; V29-L428 HydrophobicContact CG1-CD1 4.13Å; V29-L428 HydrophobicContact CG1-CD2 4.04Å; V29-L428 HydrophobicContact CG1-CG 4.32Å; V29-L428 HydrophobicContact CG2-CD2 4.5Å; V29-L428 PolarHBondContact N-O 3.48Å; E30-L428 HydrophobicContact CG-CB 4.11Å; E30-L428 PolarHBondContact N-O 3.41Å; S426-L428 PolarHBondContact O-N 3.49Å; S426-L428 WeakPolarHBondContact OG-CB 3.45Å; S426-L428 PolarHBondContact OG-N 3.16Å; L428-L434 HydrophobicContact CD2-CD2 3.76Å; L428-L437 HydrophobicContact CD2-CD1 4.38Å
429S85.3Confident76.5Confident2 Ų244 Ų441%0.01425%0.253CS..SBendtrans-78.8169.2-175.9730000112.9E30 S426 S431 Q432E30-S429 VanDerWaalsContact OE2-CA 3.23Å; E30-S429 WeakPolarHBondContact OE2-CA 3.4Å; E30-S429 WeakPolarHBondContact OE2-CB 3.41Å; S426-S429 WeakPolarHBondContact O-CB 3.14Å; S426-S429 PolarHBondContact O-N 2.83Å; S426-S429 VanDerWaalsContact O-N 3.07Å; S426-S429 PolarHBondContact O-OG 3.44Å; S429-S431 PolarHBondContact O-N 2.76Å; S429-S431 PolarHBondContact OG-N 2.92Å; S429-S431 PolarHBondContact OG-OG 2.96Å; S429-Q432 PolarHBondContact O-N 3.45Å
430D82.5Confident74.4Confident10 Ų1050.3 Ų50.35%0.05327%0.273CS..THydrogen-bonded Turntrans-63.6-25.2176.1-61.232.8000113.5P21 S28 R145 V149 F150 Q432P21-D430 HydrophobicContact CB-CB 4.35Å; P21-D430 HydrophobicContact CG-CB 4.02Å; S28-D430 WeakPolarHBondContact CB-OD1 3.41Å; S28-D430 PolarHBondContact OG-OD1 3.48Å; R145-D430 IonicContact CZ-OD2 2.68Å; R145-D430 VanDerWaalsContact CZ-OD2 3.26Å; R145-D430 IonicContact NH1-OD2 3.84Å; R145-D430 PolarHBondContact NH1-OD2 3.49Å; R145-D430 IonicContact NH2-OD1 3.72Å; R145-D430 PolarHBondContact NH2-OD1 2.88Å; R145-D430 IonicContact NH2-OD2 2.72Å; R145-D430 PolarHBondContact NH2-OD2 2.93Å; V149-D430 HydrophobicContact CG1-CB 4.16Å; F150-D430 HydrophobicContact CE1-CB 4.12Å; F150-D430 HydrophobicContact CZ-CB 3.81Å; D430-Q432 VanDerWaalsContact C-N 3.33Å
431S76.9Confident71.8Confident22 Ų2254.8 Ų54.815%0.15431%0.306CS..THydrogen-bonded Turntrans-89.47.9-178740000114L22 Y422 S429L22-S431 VanDerWaalsContact CD1-C 3.42Å; L22-S431 WeakPolarHBondContact CD1-O 3.35Å; Y422-S431 VanDerWaalsContact CE2-OG 3.31Å; Y422-S431 WeakPolarHBondContact CE2-OG 3.36Å; Y422-S431 PolarHBondContact OH-OG 2.83Å; S429-S431 PolarHBondContact O-N 2.76Å; S429-S431 PolarHBondContact OG-N 2.92Å; S429-S431 PolarHBondContact OG-OG 2.96Å
432Q73Confident69.1Low55 Ų5564.1 Ų64.126%0.25735%0.349SS..SBendtrans-140.5161.9176-64.2-160.812.600113.5S429 D430S429-Q432 PolarHBondContact O-N 3.45Å; D430-Q432 VanDerWaalsContact C-N 3.33Å
433S65.3Low66.2Low27 Ų2768.9 Ų68.919%0.18938%0.382CS..  trans-108.5132-177.9163.60000111.4L18 S19 A435 A436L18-S433 PolarHBondContact O-OG 3.01Å; S19-S433 WeakPolarHBondContact O-CB 3.35Å; S433-A435 PolarHBondContact O-N 2.9Å; S433-A435 WeakPolarHBondContact OG-CB 3.31Å; S433-A435 PolarHBondContact OG-N 2.82Å; S433-A436 WeakPolarHBondContact O-CB 3.33Å; S433-A436 PolarHBondContact O-N 3.33Å; S433-A436 VanDerWaalsContact O-N 3.09Å
434L65.2Low63.2Low37 Ų3770.2 Ų70.219%0.19441%0.405CS..THydrogen-bonded Turntrans-64.3-18.3174-65.7174.7000113.2L18 V29 L428 A436 L437 I438L18-L434 HydrophobicContact CD2-CB 3.68Å; L18-L434 HydrophobicContact CD2-CD1 4.19Å; L18-L434 PolarHBondContact O-N 3.29Å; V29-L434 HydrophobicContact CG2-CD1 3.77Å; V29-L434 HydrophobicContact CG2-CD2 4.12Å; V29-L434 HydrophobicContact CG2-CG 4.39Å; L428-L434 HydrophobicContact CD2-CD2 3.76Å; L434-A436 PolarHBondContact O-N 3.49Å; L434-L437 HydrophobicContact CD2-CD1 4.04Å; L434-L437 WeakPolarHBondContact O-CA 3.46Å; L434-L437 WeakPolarHBondContact O-CB 3.3Å; L434-L437 PolarHBondContact O-N 3.02Å; L434-I438 PolarHBondContact O-N 3.47Å
435A60Low60.8Low39 Ų3971.6 Ų71.632%0.32243%0.427SS..Hα-helixtrans-57-31.5171.400000111.5L18 S433 L437 I438 V439L18-A435 HydrophobicContact CB-CB 4.5Å; L18-A435 PolarHBondContact O-N 3.42Å; S433-A435 PolarHBondContact O-N 2.9Å; S433-A435 WeakPolarHBondContact OG-CB 3.31Å; S433-A435 PolarHBondContact OG-N 2.82Å; A435-L437 PolarHBondContact O-N 3.46Å; A435-I438 PolarHBondContact O-N 2.91Å; A435-V439 VanDerWaalsContact O-CG2 3.28Å; A435-V439 WeakPolarHBondContact O-CG2 3.41Å; A435-V439 PolarHBondContact O-N 2.82Å
436A59.5Low58.2Low54 Ų5475.7 Ų75.745%0.44644%0.443SS..Hα-helixtrans-74.65.5173.500000114.6K427 S433 L434K427-A436 PolarHBondContact NZ-O 3.48Å; S433-A436 WeakPolarHBondContact O-CB 3.33Å; S433-A436 PolarHBondContact O-N 3.33Å; S433-A436 VanDerWaalsContact O-N 3.09Å; L434-A436 PolarHBondContact O-N 3.49Å
437L53.2Low55.8Low76 Ų7680.1 Ų80.140%0.39847%0.465SS..Hα-helixtrans-104.6-54.7162.3-81.2163.3000111.1K427 L428 L434 A435 V439 R440K427-L437 HydrophobicContact CB-CD1 3.88Å; K427-L437 HydrophobicContact CB-CG 4.18Å; K427-L437 HydrophobicContact CD-CD1 4.24Å; K427-L437 HydrophobicContact CD-CD2 3.75Å; K427-L437 HydrophobicContact CD-CG 3.62Å; L428-L437 HydrophobicContact CD2-CD1 4.38Å; L434-L437 HydrophobicContact CD2-CD1 4.04Å; L434-L437 WeakPolarHBondContact O-CA 3.46Å; L434-L437 WeakPolarHBondContact O-CB 3.3Å; L434-L437 PolarHBondContact O-N 3.02Å; A435-L437 PolarHBondContact O-N 3.46Å; L437-V439 VanDerWaalsContact C-N 3.31Å; L437-V439 PolarHBondContact O-N 2.75Å; L437-R440 PolarHBondContact O-N 3.37Å
438I52.9Low53.4Low99 Ų9984.5 Ų84.551%0.50849%0.486SS..Hα-helixtrans-65.5-31.6-167.5-61.4-166.8000113L18 L434 A435 R440 S441L18-I438 HydrophobicContact CD1-CD1 4.05Å; L18-I438 HydrophobicContact CD2-CD1 3.46Å; L18-I438 VanDerWaalsContact CD2-CD1 3.46Å; L18-I438 HydrophobicContact CD2-CG1 4.31Å; L18-I438 HydrophobicContact CG-CD1 4.42Å; L434-I438 PolarHBondContact O-N 3.47Å; A435-I438 PolarHBondContact O-N 2.91Å; I438-R440 PolarHBondContact O-N 3.22Å; I438-S441 PolarHBondContact O-N 3.03Å
439V53Low50.9Low117 Ų11785.1 Ų85.171%0.70949%0.489SS*.THydrogen-bonded Turntrans-62.6-8.9178.71730000113.7A435 L437A435-V439 VanDerWaalsContact O-CG2 3.28Å; A435-V439 WeakPolarHBondContact O-CG2 3.41Å; A435-V439 PolarHBondContact O-N 2.82Å; L437-V439 VanDerWaalsContact C-N 3.31Å; L437-V439 PolarHBondContact O-N 2.75Å
440R45.6Very low48.5Very low143 Ų14391.6 Ų91.654%0.5452%0.524SS..THydrogen-bonded Turntrans-102.13.5-178.6-77.3-162.7174.5-153.21.5116.6L437 I438 D447 E448L437-R440 PolarHBondContact O-N 3.37Å; I438-R440 PolarHBondContact O-N 3.22Å; R440-D447 PolarHBondContact NH1-O 2.75Å; R440-E448 PolarHBondContact NH1-O 3.42Å
441S37.7Very low46.1Very low101 Ų10197 Ų9771%0.70655%0.551SS**SBendtrans-109-11.4-166.5-68.40000118.6I438I438-S441 PolarHBondContact O-N 3.03Å
442E35.7Very low44.2Very low199 Ų199100.6 Ų100.693%0.9357%0.572SS**SBendtrans-123.18-178.8-65.5-161.6141.800115.3
443S33.8Very low42.7Very low100 Ų100104.1 Ų104.170%0.69959%0.593SS**SBendtrans-148.476.9-178.466.20000115.5
444G28.6Very low41.3Very low73 Ų73109.3 Ų109.375%0.75362%0.616SS**  trans71.7149.4151.900000118.8
445A35.3Very low40.3Very low90 Ų90112.2 Ų112.274%0.74464%0.635SS**  trans64.6140.3-17600000113.7
446E29.4Very low40.2Very low185 Ų185114.5 Ų114.586%0.86465%0.645SS**  cis62.364.438.7-55.6-164.3147.500113.1
447D33.7Very low40Very low119 Ų119115.9 Ų115.964%0.63665%0.648SS**  trans-169.1129.5145.1-89.3-27.7000105.6R440 I449R440-D447 PolarHBondContact NH1-O 2.75Å; D447-I449 HydrophobicContact CB-CD1 4.35Å; D447-I449 HydrophobicContact CB-CG1 4.41Å
448E31.2Very low40.2Very low163 Ų163117.2 Ų117.276%0.76265%0.652SS**  50.6153.778.2-66.6-146.516900114.8R440R440-E448 PolarHBondContact NH1-O 3.42Å
449I31.2Very low40.5Very low77 Ų77114.8 Ų114.840%0.39565%0.646SS.*  174.8133.7110.7-78.7149.1000106.4D447 I451D447-I449 HydrophobicContact CB-CD1 4.35Å; D447-I449 HydrophobicContact CB-CG1 4.41Å; I449-I451 HydrophobicContact CB-CG1 4.03Å; I449-I451 HydrophobicContact CG2-CB 4.37Å; I449-I451 HydrophobicContact CG2-CG1 3.55Å; I449-I451 PolarHBondContact O-N 2.97Å; I449-I451 VanDerWaalsContact O-N 3.11Å
450N34.2Very low41.1Very low138 Ų138112.8 Ų112.874%0.73863%0.627SS**  trans-80.880.9172.6-154.615000108.6T452N450-T452 VanDerWaalsContact C-N 3.29Å; N450-T452 PolarHBondContact O-N 2.74Å
451I32.4Very low42.3Very low122 Ų122110.2 Ų110.263%0.62662%0.621SS**THydrogen-bonded Turntrans-76.771.4-167-45.3170.3000112.4I449I449-I451 HydrophobicContact CB-CG1 4.03Å; I449-I451 HydrophobicContact CG2-CB 4.37Å; I449-I451 HydrophobicContact CG2-CG1 3.55Å; I449-I451 PolarHBondContact O-N 2.97Å; I449-I451 VanDerWaalsContact O-N 3.11Å
452T37Very low44.1Very low98 Ų98112.3 Ų112.360%0.60161%0.613SS**THydrogen-bonded Turntrans-133.8-43.7162.350.80000112.6N450N450-T452 VanDerWaalsContact C-N 3.29Å; N450-T452 PolarHBondContact O-N 2.74Å
453D42.1Very low45.9Very low129 Ų129107.6 Ų107.669%0.6959%0.587SS**THydrogen-bonded Turntrans-88-12.5-164.1-61-10.1000114.5V455D453-V455 VanDerWaalsContact C-N 3.32Å; D453-V455 PolarHBondContact O-N 2.93Å
454M35.5Very low48Very low137 Ų137103.9 Ų103.968%0.67556%0.559SS**THydrogen-bonded Turntrans-79.8-6.3-173.3-124.217881.200115.1
455V43.4Very low50.4Low98 Ų98107.1 Ų107.159%0.59455%0.552SS**Hα-helixtrans-80.6-19.1-165.7-177.70000113.6D453D453-V455 VanDerWaalsContact C-N 3.32Å; D453-V455 PolarHBondContact O-N 2.93Å
456T59.6Low52.5Low86 Ų86109 Ų10953%0.52854%0.54SS..Hα-helixtrans-90.9-36.9-164.856.90000115.3A459 Y460T456-A459 WeakPolarHBondContact O-CB 3.29Å; T456-A459 PolarHBondContact O-N 3.28Å; T456-Y460 VanDerWaalsContact O-CD2 3.32Å; T456-Y460 WeakPolarHBondContact O-CD2 3.35Å; T456-Y460 PolarHBondContact O-N 2.92Å
457V54.5Low55Low84 Ų84100.5 Ų100.551%0.50950%0.501SS..Hα-helixtrans-71-46-176.2179.90000111.5A459 Y460 E461V457-A459 PolarHBondContact O-N 3.48Å; V457-Y460 PolarHBondContact O-N 2.74Å; V457-Y460 VanDerWaalsContact O-N 3.13Å; V457-E461 PolarHBondContact O-N 3.34Å
458E57.3Low57.2Low104 Ų10498.1 Ų98.149%0.48649%0.486SS..Hα-helixtrans-59.6-29.6174.6-70.7-160.4156.500112.3E461 R462E458-E461 PolarHBondContact O-N 2.78Å; E458-R462 WeakPolarHBondContact O-CB 3.38Å; E458-R462 WeakPolarHBondContact O-CG 3.47Å; E458-R462 PolarHBondContact O-N 3.06Å; E458-R462 IonicContact OE2-CZ 2.88Å; E458-R462 IonicContact OE2-NE 3.67Å; E458-R462 IonicContact OE2-NH2 3.6Å; E458-R462 PolarHBondContact OE2-NH2 2.71Å
459A58.7Low59.6Low47 Ų4795 Ų9539%0.38847%0.474SS..Hα-helixtrans-65.5-41.7177.200000111.8T456 V457 R463T456-A459 WeakPolarHBondContact O-CB 3.29Å; T456-A459 PolarHBondContact O-N 3.28Å; V457-A459 PolarHBondContact O-N 3.48Å; A459-R463 WeakPolarHBondContact O-CB 3.27Å; A459-R463 PolarHBondContact O-N 2.88Å; A459-R463 VanDerWaalsContact O-N 3.07Å
460Y65.7Low62Low75 Ų7595.6 Ų95.629%0.29448%0.475SS..Hα-helixtrans-67.8-43.5173.1-75-73.6000112T456 V457 R462 R463 I464 Y532 V535 V536 R539T456-Y460 VanDerWaalsContact O-CD2 3.32Å; T456-Y460 WeakPolarHBondContact O-CD2 3.35Å; T456-Y460 PolarHBondContact O-N 2.92Å; V457-Y460 PolarHBondContact O-N 2.74Å; V457-Y460 VanDerWaalsContact O-N 3.13Å; Y460-R462 PolarHBondContact O-N 2.89Å; Y460-R463 CarbonylContact O-C 3.58Å; Y460-R463 WeakPolarHBondContact O-CA 3.47Å; Y460-R463 WeakPolarHBondContact O-CB 3.28Å; Y460-R463 PolarHBondContact O-N 3.41Å; Y460-I464 PolarHBondContact O-N 2.77Å; Y460-Y532 HydrophobicContact CD1-CD1 4.27Å; Y460-Y532 HydrophobicContact CE1-CD1 4.41Å; Y460-Y532 HydrophobicContact CE1-CE1 4.48Å; Y460-V535 HydrophobicContact CE1-CG1 4.45Å; Y460-V536 HydrophobicContact CG-CG2 4.44Å; Y460-R539 PolarHBondContact OH-NH1 2.66Å
461E72.2Confident64.2Low90 Ų9091.5 Ų91.542%0.42145%0.45SS..Hα-helixtrans-67.3-35.8179.4-65-173.716300111.6V457 E458 R463 K465 K540V457-E461 PolarHBondContact O-N 3.34Å; E458-E461 PolarHBondContact O-N 2.78Å; E461-R463 VanDerWaalsContact C-N 3.27Å; E461-R463 PolarHBondContact O-N 2.86Å; E461-K465 VanDerWaalsContact O-CB 3.31Å; E461-K465 WeakPolarHBondContact O-CB 3.4Å; E461-K465 PolarHBondContact O-N 3.3Å; E461-K540 IonicContact OE1-NZ 2.75Å; E461-K540 PolarHBondContact OE1-NZ 3.36Å
462R73.6Confident66.5Low145 Ų14588.7 Ų88.755%0.54744%0.438SS..Hα-helixtrans-70.6-13.1168.5-70-174.8-115.3140.4-8.5114E458 Y460 R466E458-R462 WeakPolarHBondContact O-CB 3.38Å; E458-R462 WeakPolarHBondContact O-CG 3.47Å; E458-R462 PolarHBondContact O-N 3.06Å; E458-R462 IonicContact OE2-CZ 2.88Å; E458-R462 IonicContact OE2-NE 3.67Å; E458-R462 IonicContact OE2-NH2 3.6Å; E458-R462 PolarHBondContact OE2-NH2 2.71Å; Y460-R462 PolarHBondContact O-N 2.89Å; R462-R466 PolarHBondContact O-NE 3.16Å
463R74.9Confident68.6Low100 Ų10087.6 Ų87.638%0.37743%0.429SS..Hα-helixtrans-91-45.5172-173.457.8155.2174.8-12.3111.1A459 Y460 E461 K465 R466 L467 Y532A459-R463 WeakPolarHBondContact O-CB 3.27Å; A459-R463 PolarHBondContact O-N 2.88Å; A459-R463 VanDerWaalsContact O-N 3.07Å; Y460-R463 CarbonylContact O-C 3.58Å; Y460-R463 WeakPolarHBondContact O-CA 3.47Å; Y460-R463 WeakPolarHBondContact O-CB 3.28Å; Y460-R463 PolarHBondContact O-N 3.41Å; E461-R463 VanDerWaalsContact C-N 3.27Å; E461-R463 PolarHBondContact O-N 2.86Å; R463-K465 PolarHBondContact O-N 3.49Å; R463-R466 PolarHBondContact O-N 2.72Å; R463-L467 HydrophobicContact CG-CD1 4.32Å; R463-L467 WeakPolarHBondContact O-CG 3.32Å; R463-L467 PolarHBondContact O-N 3.09Å; R463-L467 VanDerWaalsContact O-N 3.1Å; R463-Y532 HydrophobicContact CG-CE2 4.5Å
464I76.9Confident70.4Confident21 Ų2182.5 Ų82.511%0.10840%0.401CS..Hα-helixtrans-54.7-53.1172.5-69.7171.5000109.7Y460 R466 L467 E468 V536Y460-I464 PolarHBondContact O-N 2.77Å; I464-R466 PolarHBondContact O-N 2.89Å; I464-R466 VanDerWaalsContact O-N 3.08Å; I464-L467 CarbonylContact O-C 3.36Å; I464-L467 PolarHBondContact O-N 3.44Å; I464-E468 HydrophobicContact CG2-CG 4.09Å; I464-E468 WeakPolarHBondContact O-CG 3.39Å; I464-E468 PolarHBondContact O-N 3.2Å; I464-V536 HydrophobicContact CD1-CB 4.17Å; I464-V536 HydrophobicContact CD1-CG2 3.75Å
465K79.1Confident72.5Confident141 Ų14178.1 Ų78.161%0.61338%0.379SS*.Hα-helixtrans-60-24.6-179.3-167170-174.3172.60114.5E461 R463 N469E461-K465 VanDerWaalsContact O-CB 3.31Å; E461-K465 WeakPolarHBondContact O-CB 3.4Å; E461-K465 PolarHBondContact O-N 3.3Å; R463-K465 PolarHBondContact O-N 3.49Å; K465-N469 VanDerWaalsContact O-CG 3.23Å; K465-N469 PolarHBondContact O-N 2.91Å; K465-N469 PolarHBondContact O-ND2 3.09Å; K465-N469 PolarHBondContact O-OD1 2.83Å
466R80.7Confident74.3Confident130 Ų13078.3 Ų78.349%0.49137%0.369SS..Hα-helixtrans-75.9-47.9171.4-80.1-177-76.9166.9-3.3111.5R462 R463 I464 E468 N469 E470R462-R466 PolarHBondContact O-NE 3.16Å; R463-R466 PolarHBondContact O-N 2.72Å; I464-R466 PolarHBondContact O-N 2.89Å; I464-R466 VanDerWaalsContact O-N 3.08Å; R466-E468 VanDerWaalsContact C-N 3.28Å; R466-E468 PolarHBondContact O-N 3Å; R466-N469 WeakPolarHBondContact O-CB 3.48Å; R466-N469 PolarHBondContact O-N 2.78Å; R466-N469 VanDerWaalsContact O-N 3.17Å; R466-E470 WeakPolarHBondContact O-CG 3.35Å; R466-E470 PolarHBondContact O-N 2.83Å
467L80.7Confident75.2Confident7 Ų779 Ų794%0.03737%0.365CS..Hα-helixtrans-64.6-31.6177.5-64.7168.9000112.5R463 I464 R471 L525 V529 Y532R463-L467 HydrophobicContact CG-CD1 4.32Å; R463-L467 WeakPolarHBondContact O-CG 3.32Å; R463-L467 PolarHBondContact O-N 3.09Å; R463-L467 VanDerWaalsContact O-N 3.1Å; I464-L467 CarbonylContact O-C 3.36Å; I464-L467 PolarHBondContact O-N 3.44Å; L467-R471 VanDerWaalsContact O-CB 3.3Å; L467-R471 WeakPolarHBondContact O-CB 3.39Å; L467-R471 PolarHBondContact O-N 3.4Å; L467-L525 HydrophobicContact CD2-CD2 4.11Å; L467-V529 HydrophobicContact CB-CG2 3.72Å; L467-Y532 HydrophobicContact CD1-CD2 3.34Å; L467-Y532 HydrophobicContact CD1-CE2 3.54Å; L467-Y532 HydrophobicContact CD1-CG 4.41Å
468E80.5Confident76.4Confident68 Ų6876.5 Ų76.532%0.31835%0.348SS..Hα-helixtrans-66.1-44.2171.1-71.6-159.294.700112.5I464 R466 R471 T472I464-E468 HydrophobicContact CG2-CG 4.09Å; I464-E468 WeakPolarHBondContact O-CG 3.39Å; I464-E468 PolarHBondContact O-N 3.2Å; R466-E468 VanDerWaalsContact C-N 3.28Å; R466-E468 PolarHBondContact O-N 3Å; E468-R471 WeakPolarHBondContact O-CB 3.13Å; E468-R471 PolarHBondContact O-N 2.78Å; E468-R471 IonicContact OE1-NH1 2.71Å; E468-R471 PolarHBondContact OE1-NH1 3.35Å; E468-R471 IonicContact OE1-NH2 3.22Å; E468-T472 WeakPolarHBondContact O-CG2 3.43Å; E468-T472 PolarHBondContact O-N 3.43Å; E468-T472 PolarHBondContact O-OG1 3.3Å
469N81.2Confident77.4Confident98 Ų9879.3 Ų79.352%0.52435%0.354SS..Hα-helixtrans-59.7-49.8174.5-71.7-11.7000110.3K465 R466 R471 T472 D473K465-N469 VanDerWaalsContact O-CG 3.23Å; K465-N469 PolarHBondContact O-N 2.91Å; K465-N469 PolarHBondContact O-ND2 3.09Å; K465-N469 PolarHBondContact O-OD1 2.83Å; R466-N469 WeakPolarHBondContact O-CB 3.48Å; R466-N469 PolarHBondContact O-N 2.78Å; R466-N469 VanDerWaalsContact O-N 3.17Å; N469-R471 VanDerWaalsContact C-N 3.33Å; N469-R471 PolarHBondContact O-N 3.38Å; N469-T472 PolarHBondContact O-N 3.46Å; N469-T472 VanDerWaalsContact O-N 3.08Å; N469-T472 PolarHBondContact O-OG1 2.79Å; N469-D473 PolarHBondContact O-N 3.34Å
470E81.1Confident78.2Confident89 Ų8981.6 Ų81.642%0.41636%0.357SS..Hα-helixtrans-55.5-45.3175.3-71165.6-150.300111.8R466 D473 L474 L525R466-E470 WeakPolarHBondContact O-CG 3.35Å; R466-E470 PolarHBondContact O-N 2.83Å; E470-D473 PolarHBondContact O-N 3.39Å; E470-L474 PolarHBondContact O-N 3.23Å; E470-L525 HydrophobicContact CB-CD1 4.42Å
471R80.7Confident78.3Confident53 Ų5379 Ų7920%0.235%0.351CS..Hα-helixtrans-57.5-48.7173.1-173-164.677.2-132.8-7.7111.2L467 E468 N469 D473 L474 E475 L522L467-R471 VanDerWaalsContact O-CB 3.3Å; L467-R471 WeakPolarHBondContact O-CB 3.39Å; L467-R471 PolarHBondContact O-N 3.4Å; E468-R471 WeakPolarHBondContact O-CB 3.13Å; E468-R471 PolarHBondContact O-N 2.78Å; E468-R471 IonicContact OE1-NH1 2.71Å; E468-R471 PolarHBondContact OE1-NH1 3.35Å; E468-R471 IonicContact OE1-NH2 3.22Å; N469-R471 VanDerWaalsContact C-N 3.33Å; N469-R471 PolarHBondContact O-N 3.38Å; R471-D473 VanDerWaalsContact C-N 3.34Å; R471-D473 PolarHBondContact O-N 2.66Å; R471-L474 PolarHBondContact O-N 3.07Å; R471-E475 HydrophobicContact CG-CG 4.35Å; R471-E475 IonicContact NE-OE2 2.79Å; R471-E475 WeakPolarHBondContact O-CB 3.18Å; R471-E475 WeakPolarHBondContact O-CG 3.39Å; R471-E475 PolarHBondContact O-N 3.21Å; R471-L522 HydrophobicContact CG-CD2 4.13Å
472T80.5Confident78.2Confident63 Ų6376.4 Ų76.439%0.38734%0.341SS..Hα-helixtrans-66.1-34.3-177.957.80000113.2E468 N469 R476E468-T472 WeakPolarHBondContact O-CG2 3.43Å; E468-T472 PolarHBondContact O-N 3.43Å; E468-T472 PolarHBondContact O-OG1 3.3Å; N469-T472 PolarHBondContact O-N 3.46Å; N469-T472 VanDerWaalsContact O-N 3.08Å; N469-T472 PolarHBondContact O-OG1 2.79Å; T472-R476 WeakPolarHBondContact O-CB 3.45Å; T472-R476 PolarHBondContact O-N 3.22Å
473D81Confident78Confident75 Ų7578.8 Ų78.840%0.40135%0.351SS..Hα-helixtrans-72.9-36.7175.5-114.1-33.8000112N469 E470 R471 R476 K477N469-D473 PolarHBondContact O-N 3.34Å; E470-D473 PolarHBondContact O-N 3.39Å; R471-D473 VanDerWaalsContact C-N 3.34Å; R471-D473 PolarHBondContact O-N 2.66Å; D473-R476 WeakPolarHBondContact O-CB 3.29Å; D473-R476 PolarHBondContact O-N 3.31Å; D473-R476 IonicContact OD1-CZ 2.92Å; D473-R476 VanDerWaalsContact OD1-CZ 3.22Å; D473-R476 IonicContact OD1-NE 3.82Å; D473-R476 PolarHBondContact OD1-NE 3.14Å; D473-R476 IonicContact OD1-NH2 2.76Å; D473-R476 PolarHBondContact OD1-NH2 2.89Å; D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.28Å; D473-K477 PolarHBondContact O-N 2.98Å
474L80.4Confident77.6Confident22 Ų2279.6 Ų79.612%0.11536%0.362CS..Hα-helixtrans-71-36.3171.4-100.6162.1000112.5E470 R471 R476 K477 L478 M518 E521 L522 L525E470-L474 PolarHBondContact O-N 3.23Å; R471-L474 PolarHBondContact O-N 3.07Å; L474-R476 PolarHBondContact O-N 3.18Å; L474-K477 HydrophobicContact CD2-CD 4.44Å; L474-K477 PolarHBondContact O-N 3.44Å; L474-L478 VanDerWaalsContact O-CB 3.28Å; L474-L478 WeakPolarHBondContact O-CB 3.16Å; L474-L478 PolarHBondContact O-N 3.1Å; L474-M518 HydrophobicContact CD2-CG 4.41Å; L474-E521 HydrophobicContact CD1-CB 4.24Å; L474-L522 HydrophobicContact CB-CD1 4.38Å; L474-L522 HydrophobicContact CB-CD2 3.88Å; L474-L522 HydrophobicContact CB-CG 3.99Å; L474-L525 HydrophobicContact CD1-CD1 3.49Å; L474-L525 VanDerWaalsContact CD1-CD1 3.49Å
475E80Confident77Confident45 Ų4580.5 Ų80.521%0.2137%0.368CS..Hα-helixtrans-66.8-26.6170.7-73-179.5147.800111.9R471 R479 L522 R526R471-E475 HydrophobicContact CG-CG 4.35Å; R471-E475 IonicContact NE-OE2 2.79Å; R471-E475 WeakPolarHBondContact O-CB 3.18Å; R471-E475 WeakPolarHBondContact O-CG 3.39Å; R471-E475 PolarHBondContact O-N 3.21Å; E475-R479 WeakPolarHBondContact O-CB 3.43Å; E475-R479 VanDerWaalsContact O-CG 3.32Å; E475-R479 WeakPolarHBondContact O-CG 3.2Å; E475-R479 PolarHBondContact O-N 3.41Å; E475-R479 PolarHBondContact O-NE 3.42Å; E475-L522 HydrophobicContact CG-CD1 4.12Å; E475-L522 HydrophobicContact CG-CD2 3.58Å; E475-R526 IonicContact OE1-CZ 2.67Å; E475-R526 IonicContact OE1-NE 3.2Å; E475-R526 IonicContact OE1-NH2 2.95Å; E475-R526 PolarHBondContact OE1-NH2 2.92Å
476R80.4Confident75.9Confident101 Ų10179.9 Ų79.938%0.38137%0.367SS..Hα-helixtrans-72.9-52.8170.5-175.9-174.961.772.9-0.1110.9T472 D473 L474 L478 R479 E480T472-R476 WeakPolarHBondContact O-CB 3.45Å; T472-R476 PolarHBondContact O-N 3.22Å; D473-R476 WeakPolarHBondContact O-CB 3.29Å; D473-R476 PolarHBondContact O-N 3.31Å; D473-R476 IonicContact OD1-CZ 2.92Å; D473-R476 VanDerWaalsContact OD1-CZ 3.22Å; D473-R476 IonicContact OD1-NE 3.82Å; D473-R476 PolarHBondContact OD1-NE 3.14Å; D473-R476 IonicContact OD1-NH2 2.76Å; D473-R476 PolarHBondContact OD1-NH2 2.89Å; L474-R476 PolarHBondContact O-N 3.18Å; R476-L478 PolarHBondContact O-N 3.31Å; R476-R479 WeakPolarHBondContact O-CB 3.43Å; R476-R479 PolarHBondContact O-N 2.86Å; R476-E480 VanDerWaalsContact CG-OE1 3.28Å; R476-E480 WeakPolarHBondContact CG-OE1 3.39Å; R476-E480 IonicContact CZ-OE1 3.64Å; R476-E480 IonicContact NH1-OE1 2.99Å; R476-E480 PolarHBondContact NH1-OE1 2.75Å; R476-E480 IonicContact NH1-OE2 2.67Å; R476-E480 PolarHBondContact NH1-OE2 2.72Å; R476-E480 WeakPolarHBondContact O-CG 3.25Å; R476-E480 PolarHBondContact O-N 2.91Å
477K79.5Confident74.9Confident102 Ų10278 Ų7844%0.44337%0.374SS..Hα-helixtrans-56-45.5175.1-71.3169.4-178.5177.10112.3D473 L474 R479 E480 A481D473-K477 VanDerWaalsContact O-CG 3.32Å; D473-K477 WeakPolarHBondContact O-CG 3.28Å; D473-K477 PolarHBondContact O-N 2.98Å; L474-K477 HydrophobicContact CD2-CD 4.44Å; L474-K477 PolarHBondContact O-N 3.44Å; K477-R479 VanDerWaalsContact C-N 3.33Å; K477-R479 PolarHBondContact O-N 3.16Å; K477-E480 WeakPolarHBondContact O-CB 3.38Å; K477-E480 PolarHBondContact O-N 2.96Å; K477-A481 WeakPolarHBondContact O-CB 3.11Å; K477-A481 PolarHBondContact O-N 2.76Å
478L79.2Confident73.6Confident30 Ų3084 Ų8416%0.15740%0.402CS..Hα-helixtrans-65.7-34.4176.6-179.464.3000111.5L474 R476 T482 V515 M518 K519 L522L474-L478 VanDerWaalsContact O-CB 3.28Å; L474-L478 WeakPolarHBondContact O-CB 3.16Å; L474-L478 PolarHBondContact O-N 3.1Å; R476-L478 PolarHBondContact O-N 3.31Å; L478-T482 WeakPolarHBondContact CD1-OG1 3.09Å; L478-T482 WeakPolarHBondContact O-CA 3.36Å; L478-T482 WeakPolarHBondContact O-CB 3.41Å; L478-T482 PolarHBondContact O-N 3.26Å; L478-T482 PolarHBondContact O-OG1 3.35Å; L478-V515 HydrophobicContact CD1-CG1 4.12Å; L478-M518 HydrophobicContact CD1-CB 4.05Å; L478-K519 HydrophobicContact CD1-CG 4.15Å; L478-K519 HydrophobicContact CD2-CG 3.97Å; L478-L522 HydrophobicContact CB-CD1 3.79Å; L478-L522 HydrophobicContact CD2-CD1 3.45Å; L478-L522 VanDerWaalsContact CD2-CD1 3.45Å; L478-L522 HydrophobicContact CG-CD1 4.23Å
479R77.9Confident72.1Confident163 Ų16388.3 Ų88.362%0.61542%0.42SS*.Hα-helixtrans-68.4-36.5172.1-83.8176.1-71-176.9-2.3112.2E475 R476 K477 R483E475-R479 WeakPolarHBondContact O-CB 3.43Å; E475-R479 VanDerWaalsContact O-CG 3.32Å; E475-R479 WeakPolarHBondContact O-CG 3.2Å; E475-R479 PolarHBondContact O-N 3.41Å; E475-R479 PolarHBondContact O-NE 3.42Å; R476-R479 WeakPolarHBondContact O-CB 3.43Å; R476-R479 PolarHBondContact O-N 2.86Å; K477-R479 VanDerWaalsContact C-N 3.33Å; K477-R479 PolarHBondContact O-N 3.16Å; R479-R483 WeakPolarHBondContact O-CB 3.33Å; R479-R483 PolarHBondContact O-N 3.09Å
480E75.3Confident70.3Confident95 Ų9592.3 Ų92.344%0.44444%0.435SS..Hα-helixtrans-65.5-50.1174.6-70.8159.5-174.200110.9R476 K477 R483 L484R476-E480 VanDerWaalsContact CG-OE1 3.28Å; R476-E480 WeakPolarHBondContact CG-OE1 3.39Å; R476-E480 IonicContact CZ-OE1 3.64Å; R476-E480 IonicContact NH1-OE1 2.99Å; R476-E480 PolarHBondContact NH1-OE1 2.75Å; R476-E480 IonicContact NH1-OE2 2.67Å; R476-E480 PolarHBondContact NH1-OE2 2.72Å; R476-E480 WeakPolarHBondContact O-CG 3.25Å; R476-E480 PolarHBondContact O-N 2.91Å; K477-E480 WeakPolarHBondContact O-CB 3.38Å; K477-E480 PolarHBondContact O-N 2.96Å; E480-R483 PolarHBondContact O-N 3.14Å; E480-L484 WeakPolarHBondContact O-CG 3.48Å; E480-L484 PolarHBondContact O-N 2.86Å
481A69.5Low68.1Low20 Ų2091.8 Ų91.817%0.16545%0.454CS..Hα-helixtrans-66.6-42.5176.500000113.3K477 R483 L484 V485 V515 M518K477-A481 WeakPolarHBondContact O-CB 3.11Å; K477-A481 PolarHBondContact O-N 2.76Å; A481-R483 VanDerWaalsContact C-N 3.31Å; A481-R483 PolarHBondContact O-N 3.03Å; A481-L484 WeakPolarHBondContact O-CB 3.43Å; A481-L484 PolarHBondContact O-N 3.18Å; A481-V485 PolarHBondContact O-N 2.8Å; A481-V515 HydrophobicContact CB-CG2 3.93Å; A481-M518 HydrophobicContact CB-CE 4.41Å; A481-M518 HydrophobicContact CB-SD 4.09Å
482T70.2Confident65.9Low36 Ų3697 Ų9722%0.22149%0.485CS..Hα-helixtrans-66.9-33.7176.1-58.70000111L478 V485 Q486L478-T482 WeakPolarHBondContact CD1-OG1 3.09Å; L478-T482 WeakPolarHBondContact O-CA 3.36Å; L478-T482 WeakPolarHBondContact O-CB 3.41Å; L478-T482 PolarHBondContact O-N 3.26Å; L478-T482 PolarHBondContact O-OG1 3.35Å; T482-V485 PolarHBondContact O-N 2.79Å; T482-Q486 HydrophobicContact CG2-CG 4.04Å; T482-Q486 WeakPolarHBondContact O-CB 3.15Å; T482-Q486 VanDerWaalsContact O-CG 3.25Å; T482-Q486 WeakPolarHBondContact O-CG 3.19Å; T482-Q486 PolarHBondContact O-N 3.11Å
483R69.7Low63.5Low196 Ų196103.1 Ų103.174%0.7451%0.51SS*.Hα-helixtrans-65.8-39.5172179.9179.7176.3-165.9-2111.6R479 E480 A481 S487R479-R483 WeakPolarHBondContact O-CB 3.33Å; R479-R483 PolarHBondContact O-N 3.09Å; E480-R483 PolarHBondContact O-N 3.14Å; A481-R483 VanDerWaalsContact C-N 3.31Å; A481-R483 PolarHBondContact O-N 3.03Å; R483-S487 VanDerWaalsContact O-CB 3.23Å; R483-S487 WeakPolarHBondContact O-CB 3.3Å; R483-S487 PolarHBondContact O-N 2.93Å; R483-S487 PolarHBondContact O-OG 2.94Å
484L66.2Low61.3Low116 Ų116103.2 Ų103.261%0.60753%0.529SS*.Hα-helixtrans-60.1-52.5173.2-73.3163.8000110.5E480 A481 Q486 S487E480-L484 WeakPolarHBondContact O-CG 3.48Å; E480-L484 PolarHBondContact O-N 2.86Å; A481-L484 WeakPolarHBondContact O-CB 3.43Å; A481-L484 PolarHBondContact O-N 3.18Å; L484-Q486 PolarHBondContact O-N 2.89Å; L484-S487 PolarHBondContact O-N 3.14Å; L484-S487 PolarHBondContact O-OG 3.37Å
485V62.5Low59Low40 Ų40110.1 Ų110.124%0.24257%0.566CS.*Hα-helixtrans-62-43.9177.8174.50000112.4A481 T482 S487 Q488 V515A481-V485 PolarHBondContact O-N 2.8Å; T482-V485 PolarHBondContact O-N 2.79Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 2.79Å; V485-Q488 PolarHBondContact O-N 2.86Å; V485-V515 HydrophobicContact CG2-CG2 4.04Å
486Q57.7Low56.8Low129 Ų129113.4 Ų113.460%0.60359%0.594SS**Hα-helixtrans-68.5-30.6178.6-74.8178.2-23.400112.9T482 L484 Q488 F489T482-Q486 HydrophobicContact CG2-CG 4.04Å; T482-Q486 WeakPolarHBondContact O-CB 3.15Å; T482-Q486 VanDerWaalsContact O-CG 3.25Å; T482-Q486 WeakPolarHBondContact O-CG 3.19Å; T482-Q486 PolarHBondContact O-N 3.11Å; L484-Q486 PolarHBondContact O-N 2.89Å; Q486-Q488 PolarHBondContact O-N 3.44Å; Q486-Q488 VanDerWaalsContact O-N 3.12Å; Q486-F489 PolarHBondContact O-N 3.46Å; Q486-F489 VanDerWaalsContact O-N 3.12Å
487S58.2Low54.6Low91 Ų91112.2 Ų112.264%0.63661%0.606SS**THydrogen-bonded Turntrans-65.9-10.1175.671.70000114.2R483 L484 V485R483-S487 VanDerWaalsContact O-CB 3.23Å; R483-S487 WeakPolarHBondContact O-CB 3.3Å; R483-S487 PolarHBondContact O-N 2.93Å; R483-S487 PolarHBondContact O-OG 2.94Å; L484-S487 PolarHBondContact O-N 3.14Å; L484-S487 PolarHBondContact O-OG 3.37Å; V485-S487 VanDerWaalsContact C-N 3.34Å; V485-S487 PolarHBondContact O-N 2.79Å
488Q54.1Low52.6Low133 Ų133113.3 Ų113.362%0.62162%0.621SS**THydrogen-bonded Turntrans-95.1-9.9174.8-61-178.6700113.9V485 Q486V485-Q488 PolarHBondContact O-N 2.86Å; Q486-Q488 PolarHBondContact O-N 3.44Å; Q486-Q488 VanDerWaalsContact O-N 3.12Å
489F49.4Very low50.7Low157 Ų157121 Ų12169%0.68965%0.653SS**THydrogen-bonded Turntrans-1223.1-165.4-86-80.6000117Q486Q486-F489 PolarHBondContact O-N 3.46Å; Q486-F489 VanDerWaalsContact O-N 3.12Å
490H43.7Very low48.7Very low182 Ų182118.4 Ų118.484%0.84367%0.666SS**SBendtrans-130.498.2176.9-82.4-1.3000114.1
491G34.8Very low46.8Very low78 Ų78117.4 Ų117.480%0.80468%0.682SS**  66.589.9125.400000120.1
492D33.3Very low45.1Very low162 Ų162122.4 Ų122.487%0.86671%0.713SS**  trans46.6158.9132.1-127-30.9000123.2
493E31.8Very low43.4Very low192 Ų192126.2 Ų126.290%0.89774%0.741SS**  trans59.3113.8179-56.5-162.7163.800117.3
494G33.3Very low41.7Very low78 Ų78126.2 Ų126.280%0.80475%0.749SS**  trans173.63.9173.500000123.9
495N33.4Very low40.3Very low167 Ų167127.6 Ų127.689%0.89376%0.762SS**  trans55.2110.9168-99.8-18.4000120.8
496S32.4Very low39.2Very low114 Ų114131 Ų13180%0.79778%0.783SS**  92.1115.6125.2-147.70000122.7
497A34.8Very low38.4Very low76 Ų76127.9 Ų127.963%0.62878%0.775SS**  trans9290.7132.600000123.6
498T36.6Very low37.8Very low124 Ų124128 Ų12876%0.76177%0.774SS**  64.4132.5127.758.80000120.2
499K39.9Very low37.7Very low192 Ų192126.7 Ų126.784%0.83577%0.771SS**  cis178.9138.441.1-126.4161.4-174175.60112.6
500A36.1Very low37.8Very low108 Ų108122.5 Ų122.589%0.89376%0.758SS**  trans67.6127.5141.500000123.2
501G35.3Very low38.4Very low75 Ų75118.3 Ų118.377%0.77374%0.742SS**  trans148.899.4163.800000113.4
502P34Very low39.8Very low125 Ų125119.4 Ų119.481%0.81273%0.729SS**  trans-107138.7-170.837.1-30.2000115
503S33.7Very low41.4Very low116 Ų116115.4 Ų115.481%0.81171%0.71SS**  trans-154.8148.7156.9-73.70000110.4
504E34.7Very low42.9Very low196 Ų196107.6 Ų107.692%0.91668%0.679SS**  trans-19.2115.4179.3-65166.2157.700117.2
505V36.3Very low44.9Very low144 Ų144104.5 Ų104.587%0.87364%0.644SS**  trans-103.1111.1170.4178.10000108.7
506T40.7Very low46.7Very low112 Ų11298.5 Ų98.569%0.68762%0.618SS**  trans-69.8166.3171.940.80000112
507S39.7Very low48.7Very low63 Ų6398.9 Ų98.944%0.44161%0.607SS.*  trans-61.9150.9-166530000113.9D509 T510S507-D509 PolarHBondContact O-N 2.89Å; S507-D509 VanDerWaalsContact O-N 3.08Å; S507-T510 PolarHBondContact O-N 3.43Å; S507-T510 PolarHBondContact O-OG1 3.3Å
508P46.7Very low50.8Low93 Ų9397.7 Ų97.760%0.60459%0.589SS**Hα-helixtrans-61.2-18.7178.325.2-35.2000113.6T510 I512P508-T510 VanDerWaalsContact C-N 3.27Å; P508-T510 PolarHBondContact O-N 2.85Å; P508-I512 WeakPolarHBondContact O-CD1 3.32Å; P508-I512 WeakPolarHBondContact O-CG1 3.41Å; P508-I512 PolarHBondContact O-N 3.17Å
509D51.6Low52.9Low106 Ų10697.1 Ų97.157%0.56758%0.576SS**Hα-helixtrans-61.9-33.6171.8-54.4-67.5000112.4S507 I512 V513S507-D509 PolarHBondContact O-N 2.89Å; S507-D509 VanDerWaalsContact O-N 3.08Å; D509-I512 PolarHBondContact O-N 3.46Å; D509-V513 WeakPolarHBondContact O-CB 3.22Å; D509-V513 VanDerWaalsContact O-CG2 3.32Å; D509-V513 WeakPolarHBondContact O-CG2 3.42Å; D509-V513 PolarHBondContact O-N 3.32Å
510T51.7Low54.8Low69 Ų6992.4 Ų92.442%0.42356%0.56SS.*Hα-helixtrans-65.9-42-176.7-6.90000112.6S507 P508 V513 A514S507-T510 PolarHBondContact O-N 3.43Å; S507-T510 PolarHBondContact O-OG1 3.3Å; P508-T510 VanDerWaalsContact C-N 3.27Å; P508-T510 PolarHBondContact O-N 2.85Å; T510-V513 PolarHBondContact O-N 2.82Å; T510-A514 WeakPolarHBondContact O-CB 3.28Å; T510-A514 PolarHBondContact O-N 2.86Å
511D56.7Low56.9Low94 Ų9492.1 Ų92.150%0.50354%0.54SS..Hα-helixtrans-70.8-33.5175.8-75.6-29.4000111.9A514 V515D511-A514 PolarHBondContact O-N 3.12Å; D511-V515 WeakPolarHBondContact O-CB 3.44Å; D511-V515 WeakPolarHBondContact O-CG2 3.27Å; D511-V515 PolarHBondContact O-N 3.12Å
512I63.5Low59.1Low101 Ų10188.8 Ų88.852%0.51850%0.504SS..Hα-helixtrans-65.8-41.9173.8-67.6169.4000110.5P508 D509 V515 A516P508-I512 WeakPolarHBondContact O-CD1 3.32Å; P508-I512 WeakPolarHBondContact O-CG1 3.41Å; P508-I512 PolarHBondContact O-N 3.17Å; D509-I512 PolarHBondContact O-N 3.46Å; I512-V515 PolarHBondContact O-N 3.49Å; I512-A516 WeakPolarHBondContact O-CB 3.46Å; I512-A516 PolarHBondContact O-N 3.23Å
513V65.7Low61.3Low78 Ų7889.5 Ų89.547%0.47350%0.497SS..Hα-helixtrans-66.8-42174.8169.70000111.4D509 T510 V515 A516 Q517D509-V513 WeakPolarHBondContact O-CB 3.22Å; D509-V513 VanDerWaalsContact O-CG2 3.32Å; D509-V513 WeakPolarHBondContact O-CG2 3.42Å; D509-V513 PolarHBondContact O-N 3.32Å; T510-V513 PolarHBondContact O-N 2.82Å; V513-V515 PolarHBondContact O-N 3.17Å; V513-A516 WeakPolarHBondContact O-CB 3.37Å; V513-A516 PolarHBondContact O-N 2.68Å; V513-A516 VanDerWaalsContact O-N 3.16Å; V513-Q517 WeakPolarHBondContact O-CG 3.3Å; V513-Q517 PolarHBondContact O-N 3.14Å
514A64.7Low63.5Low29 Ų2988.3 Ų88.324%0.2448%0.48CS..Hα-helixtrans-63.1-41.5175.600000112T510 D511 A516 Q517 M518T510-A514 WeakPolarHBondContact O-CB 3.28Å; T510-A514 PolarHBondContact O-N 2.86Å; D511-A514 PolarHBondContact O-N 3.12Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A514-Q517 PolarHBondContact O-N 2.92Å; A514-M518 WeakPolarHBondContact O-CG 3.27Å; A514-M518 PolarHBondContact O-N 2.94Å
515V74.4Confident65.8Low13 Ų1379.6 Ų79.68%0.07944%0.44CS..Hα-helixtrans-69.4-28.3173.9166.80000112.2L478 A481 V485 D511 I512 V513 K519L478-V515 HydrophobicContact CD1-CG1 4.12Å; A481-V515 HydrophobicContact CB-CG2 3.93Å; V485-V515 HydrophobicContact CG2-CG2 4.04Å; D511-V515 WeakPolarHBondContact O-CB 3.44Å; D511-V515 WeakPolarHBondContact O-CG2 3.27Å; D511-V515 PolarHBondContact O-N 3.12Å; I512-V515 PolarHBondContact O-N 3.49Å; V513-V515 PolarHBondContact O-N 3.17Å; V515-K519 HydrophobicContact CG1-CD 4.3Å; V515-K519 WeakPolarHBondContact O-CD 3.29Å; V515-K519 WeakPolarHBondContact O-CG 3.3Å; V515-K519 PolarHBondContact O-N 2.67Å
516A72.4Confident67.9Low41 Ų4179.3 Ų79.334%0.33942%0.423SS..Hα-helixtrans-69-49.5170.200000111.2I512 V513 A514 M518 K519 D520I512-A516 WeakPolarHBondContact O-CB 3.46Å; I512-A516 PolarHBondContact O-N 3.23Å; V513-A516 WeakPolarHBondContact O-CB 3.37Å; V513-A516 PolarHBondContact O-N 2.68Å; V513-A516 VanDerWaalsContact O-N 3.16Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A516-M518 PolarHBondContact O-N 2.57Å; A516-K519 WeakPolarHBondContact O-CA 3.17Å; A516-K519 WeakPolarHBondContact O-CB 3.25Å; A516-K519 PolarHBondContact O-N 2.66Å; A516-D520 PolarHBondContact O-N 3.26Å
517Q74.6Confident69.9Low122 Ų12280.1 Ų80.157%0.5742%0.417SS*.Hα-helixtrans-57-45.2176.1-73.8177.3-28.400112.1V513 A514 K519 D520 E521V513-Q517 WeakPolarHBondContact O-CG 3.3Å; V513-Q517 PolarHBondContact O-N 3.14Å; A514-Q517 PolarHBondContact O-N 2.92Å; Q517-K519 VanDerWaalsContact C-N 3.28Å; Q517-K519 PolarHBondContact O-N 2.93Å; Q517-D520 PolarHBondContact O-N 2.91Å; Q517-E521 WeakPolarHBondContact O-CG 3.47Å; Q517-E521 PolarHBondContact O-N 2.63Å
518M78.8Confident71.9Confident51 Ų5183.4 Ų83.425%0.25142%0.42SS..Hα-helixtrans-65-28.2175.5-69.1-179.2-149.600113.4L474 L478 A481 A514 A516 L522L474-M518 HydrophobicContact CD2-CG 4.41Å; L478-M518 HydrophobicContact CD1-CB 4.05Å; A481-M518 HydrophobicContact CB-CE 4.41Å; A481-M518 HydrophobicContact CB-SD 4.09Å; A514-M518 WeakPolarHBondContact O-CG 3.27Å; A514-M518 PolarHBondContact O-N 2.94Å; A516-M518 PolarHBondContact O-N 2.57Å; M518-L522 WeakPolarHBondContact O-CB 3.17Å; M518-L522 WeakPolarHBondContact O-CG 3.32Å; M518-L522 PolarHBondContact O-N 2.88Å; M518-L522 VanDerWaalsContact O-N 3.13Å
519K79.5Confident73.5Confident111 Ų11179.3 Ų79.348%0.48339%0.393SS..Hα-helixtrans-73.8-40.9172.7-76166.2-175.6170.30111.4L478 V515 A516 Q517 L522 Q523L478-K519 HydrophobicContact CD1-CG 4.15Å; L478-K519 HydrophobicContact CD2-CG 3.97Å; V515-K519 HydrophobicContact CG1-CD 4.3Å; V515-K519 WeakPolarHBondContact O-CD 3.29Å; V515-K519 WeakPolarHBondContact O-CG 3.3Å; V515-K519 PolarHBondContact O-N 2.67Å; A516-K519 WeakPolarHBondContact O-CA 3.17Å; A516-K519 WeakPolarHBondContact O-CB 3.25Å; A516-K519 PolarHBondContact O-N 2.66Å; Q517-K519 VanDerWaalsContact C-N 3.28Å; Q517-K519 PolarHBondContact O-N 2.93Å; K519-L522 CarbonylContact O-C 3.55Å; K519-L522 PolarHBondContact O-N 3.02Å; K519-Q523 WeakPolarHBondContact O-CB 3.46Å; K519-Q523 PolarHBondContact O-N 2.78Å
520D79.4Confident74.7Confident93 Ų9376.6 Ų76.650%0.49739%0.385SS..Hα-helixtrans-67.1-43.6177.3-69.6-17.7000111A516 Q517 L522 Q523 I524A516-D520 PolarHBondContact O-N 3.26Å; Q517-D520 PolarHBondContact O-N 2.91Å; D520-L522 VanDerWaalsContact C-N 3.31Å; D520-L522 PolarHBondContact O-N 2.87Å; D520-Q523 CarbonylContact O-C 3.38Å; D520-Q523 PolarHBondContact O-N 3.23Å; D520-Q523 VanDerWaalsContact O-N 3.12Å; D520-I524 WeakPolarHBondContact O-CB 3.35Å; D520-I524 VanDerWaalsContact O-CG1 3.27Å; D520-I524 WeakPolarHBondContact O-CG1 3.48Å; D520-I524 PolarHBondContact O-N 3Å
521E80.5Confident76Confident103 Ų10377.3 Ų77.348%0.48138%0.384SS..Hα-helixtrans-57.6-42.4170.3-76-169146.900111.8L474 Q517 Q523 I524 L525L474-E521 HydrophobicContact CD1-CB 4.24Å; Q517-E521 WeakPolarHBondContact O-CG 3.47Å; Q517-E521 PolarHBondContact O-N 2.63Å; E521-Q523 VanDerWaalsContact C-N 3.35Å; E521-I524 PolarHBondContact O-N 2.65Å; E521-L525 WeakPolarHBondContact O-CB 3.13Å; E521-L525 PolarHBondContact O-N 3.14Å
522L81.3Confident76.8Confident4 Ų476.4 Ų76.42%0.02137%0.374CS..Hα-helixtrans-69.4-30.7175.4-86.9166.4000113.4R471 L474 E475 L478 M518 K519 D520 R526R471-L522 HydrophobicContact CG-CD2 4.13Å; L474-L522 HydrophobicContact CB-CD1 4.38Å; L474-L522 HydrophobicContact CB-CD2 3.88Å; L474-L522 HydrophobicContact CB-CG 3.99Å; E475-L522 HydrophobicContact CG-CD1 4.12Å; E475-L522 HydrophobicContact CG-CD2 3.58Å; L478-L522 HydrophobicContact CB-CD1 3.79Å; L478-L522 HydrophobicContact CD2-CD1 3.45Å; L478-L522 VanDerWaalsContact CD2-CD1 3.45Å; L478-L522 HydrophobicContact CG-CD1 4.23Å; M518-L522 WeakPolarHBondContact O-CB 3.17Å; M518-L522 WeakPolarHBondContact O-CG 3.32Å; M518-L522 PolarHBondContact O-N 2.88Å; M518-L522 VanDerWaalsContact O-N 3.13Å; K519-L522 CarbonylContact O-C 3.55Å; K519-L522 PolarHBondContact O-N 3.02Å; D520-L522 VanDerWaalsContact C-N 3.31Å; D520-L522 PolarHBondContact O-N 2.87Å; L522-R526 WeakPolarHBondContact O-CB 3.25Å; L522-R526 WeakPolarHBondContact O-CD 3.38Å; L522-R526 WeakPolarHBondContact O-CG 3.24Å; L522-R526 PolarHBondContact O-N 3.12Å
523Q81.1Confident77.4Confident140 Ų14075.7 Ų75.765%0.65437%0.369SS*.Hα-helixtrans-71.4-38.6173.1-173164.7-47.100111K519 D520 E521 K527K519-Q523 WeakPolarHBondContact O-CB 3.46Å; K519-Q523 PolarHBondContact O-N 2.78Å; D520-Q523 CarbonylContact O-C 3.38Å; D520-Q523 PolarHBondContact O-N 3.23Å; D520-Q523 VanDerWaalsContact O-N 3.12Å; E521-Q523 VanDerWaalsContact C-N 3.35Å; Q523-K527 VanDerWaalsContact O-CB 3.28Å; Q523-K527 WeakPolarHBondContact O-CB 3.15Å; Q523-K527 PolarHBondContact O-N 2.83Å
524I80.1Confident77.7Confident91 Ų9174.6 Ų74.647%0.46737%0.368SS..Hα-helixtrans-66.4-45.5173.1-68.2162.6000110.8D520 E521 K527 R528D520-I524 WeakPolarHBondContact O-CB 3.35Å; D520-I524 VanDerWaalsContact O-CG1 3.27Å; D520-I524 WeakPolarHBondContact O-CG1 3.48Å; D520-I524 PolarHBondContact O-N 3Å; E521-I524 PolarHBondContact O-N 2.65Å; I524-K527 PolarHBondContact O-N 2.88Å; I524-R528 WeakPolarHBondContact O-CB 3.32Å; I524-R528 WeakPolarHBondContact O-CG 3.28Å; I524-R528 PolarHBondContact O-N 2.93Å
525L81.4Confident78Confident14 Ų1475.7 Ų75.77%0.07337%0.371CS..Hα-helixtrans-66.1-41.2176.3-81.1175.8000112L467 E470 L474 E521 K527 R528 V529L467-L525 HydrophobicContact CD2-CD2 4.11Å; E470-L525 HydrophobicContact CB-CD1 4.42Å; L474-L525 HydrophobicContact CD1-CD1 3.49Å; L474-L525 VanDerWaalsContact CD1-CD1 3.49Å; E521-L525 WeakPolarHBondContact O-CB 3.13Å; E521-L525 PolarHBondContact O-N 3.14Å; L525-K527 VanDerWaalsContact C-N 3.32Å; L525-K527 PolarHBondContact O-N 2.94Å; L525-R528 PolarHBondContact O-N 3.46Å; L525-V529 WeakPolarHBondContact O-CB 3.34Å; L525-V529 VanDerWaalsContact O-CG2 3.3Å; L525-V529 WeakPolarHBondContact O-CG2 3.47Å; L525-V529 PolarHBondContact O-N 2.88Å
526R82.3Confident77.6Confident138 Ų13876.1 Ų76.152%0.52137%0.374SS..Hα-helixtrans-63.8-37.4172.7-75.7170.2179.9172.6-0.5111.7E475 L522 A530E475-R526 IonicContact OE1-CZ 2.67Å; E475-R526 IonicContact OE1-NE 3.2Å; E475-R526 IonicContact OE1-NH2 2.95Å; E475-R526 PolarHBondContact OE1-NH2 2.92Å; L522-R526 WeakPolarHBondContact O-CB 3.25Å; L522-R526 WeakPolarHBondContact O-CD 3.38Å; L522-R526 WeakPolarHBondContact O-CG 3.24Å; L522-R526 PolarHBondContact O-N 3.12Å; R526-A530 WeakPolarHBondContact O-CB 3.34Å; R526-A530 PolarHBondContact O-N 3.16Å
527K82.1Confident77.2Confident128 Ų12876.8 Ų76.856%0.55738%0.376SS*.Hα-helixtrans-65.5-46.6173.5-172.3172.4-177.2-77.30111.5Q523 I524 L525 A530 E531Q523-K527 VanDerWaalsContact O-CB 3.28Å; Q523-K527 WeakPolarHBondContact O-CB 3.15Å; Q523-K527 PolarHBondContact O-N 2.83Å; I524-K527 PolarHBondContact O-N 2.88Å; L525-K527 VanDerWaalsContact C-N 3.32Å; L525-K527 PolarHBondContact O-N 2.94Å; K527-A530 CarbonylContact O-C 3.57Å; K527-A530 PolarHBondContact O-N 3.24Å; K527-E531 WeakPolarHBondContact CE-OE1 3.3Å; K527-E531 HydrophobicContact CG-CG 4.44Å; K527-E531 IonicContact NZ-OE1 3.84Å; K527-E531 PolarHBondContact NZ-OE1 3.06Å; K527-E531 VanDerWaalsContact O-CB 3.31Å; K527-E531 WeakPolarHBondContact O-CB 3.25Å; K527-E531 WeakPolarHBondContact O-CG 3.18Å; K527-E531 PolarHBondContact O-N 2.93Å
528R81.3Confident76.6Confident133 Ų13373.7 Ų73.750%0.50237%0.368SS..Hα-helixtrans-63.8-42.6176.5-76.6177.1171.8174.1-2.5112.9I524 L525 E531 Y532I524-R528 WeakPolarHBondContact O-CB 3.32Å; I524-R528 WeakPolarHBondContact O-CG 3.28Å; I524-R528 PolarHBondContact O-N 2.93Å; L525-R528 PolarHBondContact O-N 3.46Å; R528-E531 PolarHBondContact O-N 3.24Å; R528-Y532 WeakPolarHBondContact O-CD2 3.44Å; R528-Y532 PolarHBondContact O-N 2.76Å
529V79.6Confident75.6Confident6 Ų678.7 Ų78.74%0.03638%0.384CS..Hα-helixtrans-63.4-48.6173.6170.10000109.3L467 L525 E531 Y532 E533L467-V529 HydrophobicContact CB-CG2 3.72Å; L525-V529 WeakPolarHBondContact O-CB 3.34Å; L525-V529 VanDerWaalsContact O-CG2 3.3Å; L525-V529 WeakPolarHBondContact O-CG2 3.47Å; L525-V529 PolarHBondContact O-N 2.88Å; V529-E531 PolarHBondContact O-N 2.81Å; V529-Y532 PolarHBondContact O-N 2.88Å; V529-E533 VanDerWaalsContact CG1-CD 3.49Å; V529-E533 HydrophobicContact CG1-CG 4.07Å; V529-E533 WeakPolarHBondContact CG1-OE1 3.44Å; V529-E533 WeakPolarHBondContact O-CA 3.07Å; V529-E533 WeakPolarHBondContact O-CB 3.38Å; V529-E533 VanDerWaalsContact O-CG 3.24Å; V529-E533 WeakPolarHBondContact O-CG 3.3Å; V529-E533 PolarHBondContact O-N 3Å
530A78.7Confident74.4Confident49 Ų4978.3 Ų78.341%0.40538%0.382SS..Hα-helixtrans-63.3-25.3174.900000113.6R526 K527 A534R526-A530 WeakPolarHBondContact O-CB 3.34Å; R526-A530 PolarHBondContact O-N 3.16Å; K527-A530 CarbonylContact O-C 3.57Å; K527-A530 PolarHBondContact O-N 3.24Å; A530-A534 WeakPolarHBondContact O-CA 3.39Å; A530-A534 WeakPolarHBondContact O-CB 3.43Å; A530-A534 PolarHBondContact O-N 3.45Å
531E77.5Confident73.3Confident85 Ų8578.1 Ų78.140%0.39738%0.381SS..Hα-helixtrans-77.8-44.1174.1-79.2164.9162.300111.6K527 R528 V529 A534 V535K527-E531 WeakPolarHBondContact CE-OE1 3.3Å; K527-E531 HydrophobicContact CG-CG 4.44Å; K527-E531 IonicContact NZ-OE1 3.84Å; K527-E531 PolarHBondContact NZ-OE1 3.06Å; K527-E531 VanDerWaalsContact O-CB 3.31Å; K527-E531 WeakPolarHBondContact O-CB 3.25Å; K527-E531 WeakPolarHBondContact O-CG 3.18Å; K527-E531 PolarHBondContact O-N 2.93Å; R528-E531 PolarHBondContact O-N 3.24Å; V529-E531 PolarHBondContact O-N 2.81Å; E531-A534 CarbonylContact O-C 3.54Å; E531-A534 PolarHBondContact O-N 2.98Å; E531-V535 WeakPolarHBondContact O-CB 3.39Å; E531-V535 VanDerWaalsContact O-CG2 3.27Å; E531-V535 WeakPolarHBondContact O-CG2 3.32Å; E531-V535 PolarHBondContact O-N 2.85Å
532Y74Confident72Confident75 Ų7576.6 Ų76.629%0.29438%0.382SS..Hα-helixtrans-70.8-34.9172.9-74.3-63.7000112.2Y460 R463 L467 R528 V529 V535 V536Y460-Y532 HydrophobicContact CD1-CD1 4.27Å; Y460-Y532 HydrophobicContact CE1-CD1 4.41Å; Y460-Y532 HydrophobicContact CE1-CE1 4.48Å; R463-Y532 HydrophobicContact CG-CE2 4.5Å; L467-Y532 HydrophobicContact CD1-CD2 3.34Å; L467-Y532 HydrophobicContact CD1-CE2 3.54Å; L467-Y532 HydrophobicContact CD1-CG 4.41Å; R528-Y532 WeakPolarHBondContact O-CD2 3.44Å; R528-Y532 PolarHBondContact O-N 2.76Å; V529-Y532 PolarHBondContact O-N 2.88Å; Y532-V535 PolarHBondContact O-N 2.88Å; Y532-V536 VanDerWaalsContact O-CB 3.3Å; Y532-V536 WeakPolarHBondContact O-CB 2.98Å; Y532-V536 WeakPolarHBondContact O-CG2 3.19Å; Y532-V536 PolarHBondContact O-N 3.35Å
533E75.4Confident70.6Confident86 Ų8677.3 Ų77.340%0.40239%0.388SS..Hα-helixtrans-67-38.8168.6-73.7174.9164.200110.5V529 V536 S537V529-E533 VanDerWaalsContact CG1-CD 3.49Å; V529-E533 HydrophobicContact CG1-CG 4.07Å; V529-E533 WeakPolarHBondContact CG1-OE1 3.44Å; V529-E533 WeakPolarHBondContact O-CA 3.07Å; V529-E533 WeakPolarHBondContact O-CB 3.38Å; V529-E533 VanDerWaalsContact O-CG 3.24Å; V529-E533 WeakPolarHBondContact O-CG 3.3Å; V529-E533 PolarHBondContact O-N 3Å; E533-V536 CarbonylContact O-C 3.55Å; E533-V536 PolarHBondContact O-N 3.16Å; E533-S537 WeakPolarHBondContact O-CA 2.92Å; E533-S537 WeakPolarHBondContact O-CB 3.45Å; E533-S537 PolarHBondContact O-N 3.43Å
534A73.6Confident69.4Low55 Ų5572.8 Ų72.846%0.45538%0.375SS..Hα-helixtrans-74.7-22173.100000113A530 E531 S538A530-A534 WeakPolarHBondContact O-CA 3.39Å; A530-A534 WeakPolarHBondContact O-CB 3.43Å; A530-A534 PolarHBondContact O-N 3.45Å; E531-A534 CarbonylContact O-C 3.54Å; E531-A534 PolarHBondContact O-N 2.98Å; A534-S538 WeakPolarHBondContact O-CA 2.99Å; A534-S538 WeakPolarHBondContact O-CB 3.27Å; A534-S538 PolarHBondContact O-N 2.8Å; A534-S538 PolarHBondContact O-OG 2.79Å
535V69.7Low68.5Low52 Ų5275.5 Ų75.532%0.31539%0.386SS..Hα-helixtrans-78.4-36.5168.6166.60000110.5Y460 E531 Y532 S538 R539Y460-V535 HydrophobicContact CE1-CG1 4.45Å; E531-V535 WeakPolarHBondContact O-CB 3.39Å; E531-V535 VanDerWaalsContact O-CG2 3.27Å; E531-V535 WeakPolarHBondContact O-CG2 3.32Å; E531-V535 PolarHBondContact O-N 2.85Å; Y532-V535 PolarHBondContact O-N 2.88Å; V535-S538 PolarHBondContact O-OG 2.82Å; V535-R539 WeakPolarHBondContact O-CA 3.5Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 WeakPolarHBondContact O-CG 3.2Å; V535-R539 PolarHBondContact O-N 2.82Å
536V65.5Low67.6Low22 Ų2279.7 Ų79.713%0.13341%0.405CS..Hα-helixtrans-78.2-32.9175.4166.90000111.8Y460 I464 Y532 E533 R539 K540Y460-V536 HydrophobicContact CG-CG2 4.44Å; I464-V536 HydrophobicContact CD1-CB 4.17Å; I464-V536 HydrophobicContact CD1-CG2 3.75Å; Y532-V536 VanDerWaalsContact O-CB 3.3Å; Y532-V536 WeakPolarHBondContact O-CB 2.98Å; Y532-V536 WeakPolarHBondContact O-CG2 3.19Å; Y532-V536 PolarHBondContact O-N 3.35Å; E533-V536 CarbonylContact O-C 3.55Å; E533-V536 PolarHBondContact O-N 3.16Å; V536-R539 CarbonylContact O-C 3.6Å; V536-K540 HydrophobicContact CG1-CD 3.78Å; V536-K540 WeakPolarHBondContact O-CB 3.21Å; V536-K540 WeakPolarHBondContact O-CD 3.3Å; V536-K540 WeakPolarHBondContact O-CG 3.5Å; V536-K540 PolarHBondContact O-N 3.34Å
537S65Low66.3Low55 Ų5581.6 Ų81.639%0.38541%0.412SS..Hα-helixtrans-76.2-46.5169.8-95.40000110.7E533 R539 K540 D541E533-S537 WeakPolarHBondContact O-CA 2.92Å; E533-S537 WeakPolarHBondContact O-CB 3.45Å; E533-S537 PolarHBondContact O-N 3.43Å; S537-R539 VanDerWaalsContact C-N 3.27Å; S537-R539 PolarHBondContact O-N 3.25Å; S537-K540 CarbonylContact O-C 3.5Å; S537-K540 VanDerWaalsContact O-C 3.27Å; S537-K540 WeakPolarHBondContact O-CA 3.15Å; S537-K540 PolarHBondContact O-N 2.87Å; S537-D541 VanDerWaalsContact CB-OD2 3.27Å; S537-D541 WeakPolarHBondContact CB-OD2 3.4Å; S537-D541 WeakPolarHBondContact O-CA 3.27Å; S537-D541 WeakPolarHBondContact O-CB 3.32Å; S537-D541 PolarHBondContact O-N 2.91Å; S537-D541 PolarHBondContact OG-OD2 3.04Å
538S61.5Low65.6Low57 Ų5779.4 Ų79.440%0.39940%0.404SS..Hα-helixtrans-61.6-36.6170.364.40000111.4A534 V535 K540 D541 S542 A543A534-S538 WeakPolarHBondContact O-CA 2.99Å; A534-S538 WeakPolarHBondContact O-CB 3.27Å; A534-S538 PolarHBondContact O-N 2.8Å; A534-S538 PolarHBondContact O-OG 2.79Å; V535-S538 PolarHBondContact O-OG 2.82Å; S538-K540 PolarHBondContact O-N 3.11Å; S538-D541 PolarHBondContact O-N 2.9Å; S538-S542 CarbonylContact O-C 3.59Å; S538-S542 WeakPolarHBondContact O-CA 3.43Å; S538-S542 WeakPolarHBondContact O-CB 3.28Å; S538-S542 PolarHBondContact O-N 3.48Å; S538-A543 PolarHBondContact O-N 2.98Å
539R58.3Low65.1Low155 Ų15579.8 Ų79.859%0.58541%0.41SS*.Hα-helixtrans-83.219.6167.4-59.5176.8174-179.7-0.2114.8Y460 V535 V536 S537 A543Y460-R539 PolarHBondContact OH-NH1 2.66Å; V535-R539 WeakPolarHBondContact O-CA 3.5Å; V535-R539 WeakPolarHBondContact O-CB 3.41Å; V535-R539 WeakPolarHBondContact O-CG 3.2Å; V535-R539 PolarHBondContact O-N 2.82Å; V536-R539 CarbonylContact O-C 3.6Å; S537-R539 VanDerWaalsContact C-N 3.27Å; S537-R539 PolarHBondContact O-N 3.25Å; R539-A543 WeakPolarHBondContact O-CB 3.39Å
540K53.7Low64.5Low103 Ų10383.8 Ų83.845%0.44843%0.426SS..Hα-helixtrans-129.9-9.9162.2-77.1170.8-177.2172.80112.9E461 V536 S537 S538 A544E461-K540 IonicContact OE1-NZ 2.75Å; E461-K540 PolarHBondContact OE1-NZ 3.36Å; V536-K540 HydrophobicContact CG1-CD 3.78Å; V536-K540 WeakPolarHBondContact O-CB 3.21Å; V536-K540 WeakPolarHBondContact O-CD 3.3Å; V536-K540 WeakPolarHBondContact O-CG 3.5Å; V536-K540 PolarHBondContact O-N 3.34Å; S537-K540 CarbonylContact O-C 3.5Å; S537-K540 VanDerWaalsContact O-C 3.27Å; S537-K540 WeakPolarHBondContact O-CA 3.15Å; S537-K540 PolarHBondContact O-N 2.87Å; S538-K540 PolarHBondContact O-N 3.11Å; K540-A544 VanDerWaalsContact C-N 3.29Å; K540-A544 WeakPolarHBondContact O-CA 3.22Å; K540-A544 WeakPolarHBondContact O-CB 3.28Å; K540-A544 PolarHBondContact O-N 2.86Å
541D56.4Low63.9Low90 Ų9087.8 Ų87.848%0.48143%0.432SS..Hα-helixtrans-125.7-52.8-169.8-61.5-31.8000110.9S537 S538 A544 E545S537-D541 VanDerWaalsContact CB-OD2 3.27Å; S537-D541 WeakPolarHBondContact CB-OD2 3.4Å; S537-D541 WeakPolarHBondContact O-CA 3.27Å; S537-D541 WeakPolarHBondContact O-CB 3.32Å; S537-D541 PolarHBondContact O-N 2.91Å; S537-D541 PolarHBondContact OG-OD2 3.04Å; S538-D541 PolarHBondContact O-N 2.9Å; D541-A544 VanDerWaalsContact C-N 3.31Å; D541-A544 CarbonylContact O-C 3.6Å; D541-A544 PolarHBondContact O-N 3.44Å; D541-E545 WeakPolarHBondContact O-CB 3.33Å; D541-E545 WeakPolarHBondContact O-CG 3.38Å; D541-E545 PolarHBondContact O-N 2.91Å
542S54.1Low63.7Low70 Ų7089.2 Ų89.249%0.4943%0.434SS..Hα-helixtrans-70.3-27.1157.9-178.30000109.8S538 E546S538-S542 CarbonylContact O-C 3.59Å; S538-S542 WeakPolarHBondContact O-CA 3.43Å; S538-S542 WeakPolarHBondContact O-CB 3.28Å; S538-S542 PolarHBondContact O-N 3.48Å; S542-E546 WeakPolarHBondContact O-CA 3.48Å; S542-E546 WeakPolarHBondContact O-CB 3.47Å; S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 2.97Å
543A51.2Low63.6Low19 Ų1990 Ų9016%0.15744%0.44CS..Hα-helixtrans-76.9-23160.500000113.5S538 R539 W547S538-A543 PolarHBondContact O-N 2.98Å; R539-A543 WeakPolarHBondContact O-CB 3.39Å; A543-W547 VanDerWaalsContact O-CA 3.29Å; A543-W547 WeakPolarHBondContact O-CA 3.38Å; A543-W547 WeakPolarHBondContact O-CB 3.39Å; A543-W547 VanDerWaalsContact O-CG 3.29Å; A543-W547 PolarHBondContact O-N 3.23Å
544A56.6Low63Low46 Ų4690.5 Ų90.538%0.3845%0.445SS..Hα-helixtrans-77.3-28.2167.700000112.1K540 D541 W547 E548K540-A544 VanDerWaalsContact C-N 3.29Å; K540-A544 WeakPolarHBondContact O-CA 3.22Å; K540-A544 WeakPolarHBondContact O-CB 3.28Å; K540-A544 PolarHBondContact O-N 2.86Å; D541-A544 VanDerWaalsContact C-N 3.31Å; D541-A544 CarbonylContact O-C 3.6Å; D541-A544 PolarHBondContact O-N 3.44Å; A544-W547 CarbonylContact O-C 3.49Å; A544-E548 WeakPolarHBondContact O-CA 3.37Å; A544-E548 WeakPolarHBondContact O-CB 3.05Å; A544-E548 WeakPolarHBondContact O-CG 3.18Å; A544-E548 PolarHBondContact O-N 2.87Å
545E61.2Low62.9Low148 Ų14888.7 Ų88.769%0.69243%0.427SS*.Hα-helixtrans-80.7-38.3173.2-74.1-161141.800111.3D541 E548 K549D541-E545 WeakPolarHBondContact O-CB 3.33Å; D541-E545 WeakPolarHBondContact O-CG 3.38Å; D541-E545 PolarHBondContact O-N 2.91Å; E545-E548 PolarHBondContact O-N 2.87Å; E545-K549 WeakPolarHBondContact O-CA 3.46Å; E545-K549 WeakPolarHBondContact O-CB 3.4Å; E545-K549 PolarHBondContact O-N 2.98Å
546E61.8Low63.2Low102 Ų10293.6 Ų93.648%0.47744%0.444SS..Hα-helixtrans-65.8-41.9164.1-85.9-139.6117.500110.7S542 E548 K549 K550S542-E546 WeakPolarHBondContact O-CA 3.48Å; S542-E546 WeakPolarHBondContact O-CB 3.47Å; S542-E546 WeakPolarHBondContact O-CG 3.4Å; S542-E546 PolarHBondContact O-N 2.97Å; E546-E548 VanDerWaalsContact C-N 3.32Å; E546-K549 PolarHBondContact O-N 2.85Å; E546-K550 HydrophobicContact CB-CD 4.32Å; E546-K550 VanDerWaalsContact O-CA 3.3Å; E546-K550 WeakPolarHBondContact O-CA 3.36Å; E546-K550 WeakPolarHBondContact O-CB 3.48Å; E546-K550 WeakPolarHBondContact O-CD 3.37Å; E546-K550 WeakPolarHBondContact O-CG 3.46Å; E546-K550 PolarHBondContact O-N 3.28Å; E546-K550 VanDerWaalsContact OE1-CE 3.28Å; E546-K550 WeakPolarHBondContact OE1-CE 3.18Å; E546-K550 IonicContact OE1-NZ 3.6Å; E546-K550 PolarHBondContact OE1-NZ 3.33Å; E546-K550 VanDerWaalsContact OE1-NZ 3.1Å; E546-K550 IonicContact OE2-NZ 3.74Å; E546-K550 PolarHBondContact OE2-NZ 3.06Å
547W55.1Low63.5Low178 Ų17898.3 Ų98.367%0.67446%0.463SS*.Hα-helixtrans-69.7-27.6173.8-84.8108.5000111A543 A544 K550 Y551A543-W547 VanDerWaalsContact O-CA 3.29Å; A543-W547 WeakPolarHBondContact O-CA 3.38Å; A543-W547 WeakPolarHBondContact O-CB 3.39Å; A543-W547 VanDerWaalsContact O-CG 3.29Å; A543-W547 PolarHBondContact O-N 3.23Å; A544-W547 CarbonylContact O-C 3.49Å; W547-K550 CarbonylContact O-C 3.15Å; W547-Y551 VanDerWaalsContact O-CA 3.23Å; W547-Y551 WeakPolarHBondContact O-CA 3.44Å; W547-Y551 WeakPolarHBondContact O-CB 3.49Å; W547-Y551 PolarHBondContact O-N 3.19Å
548E67.7Low63.9Low82 Ų82101.2 Ų101.238%0.38347%0.47SS..Hα-helixtrans-80-32.6173.4-92.1-144.8156.400111.8A544 E545 E546 Y551 R552A544-E548 WeakPolarHBondContact O-CA 3.37Å; A544-E548 WeakPolarHBondContact O-CB 3.05Å; A544-E548 WeakPolarHBondContact O-CG 3.18Å; A544-E548 PolarHBondContact O-N 2.87Å; E545-E548 PolarHBondContact O-N 2.87Å; E546-E548 VanDerWaalsContact C-N 3.32Å; E548-Y551 CarbonylContact O-C 3.59Å; E548-Y551 PolarHBondContact O-N 2.86Å; E548-R552 VanDerWaalsContact O-CB 3.22Å; E548-R552 WeakPolarHBondContact O-CB 3.29Å; E548-R552 WeakPolarHBondContact O-CG 3.3Å; E548-R552 PolarHBondContact O-N 2.9Å; E548-R552 IonicContact OE2-CZ 2.83Å; E548-R552 IonicContact OE2-NE 3.68Å; E548-R552 IonicContact OE2-NH2 2.67Å; E548-R552 PolarHBondContact OE2-NH2 3.17Å
549K71.6Confident64.6Low141 Ų141104 Ų10461%0.61347%0.472SS*.Hα-helixtrans-76.6-42.5175-168.8-178.1-178.9-171.70109.9E545 E546 Y551 R552 E553E545-K549 WeakPolarHBondContact O-CA 3.46Å; E545-K549 WeakPolarHBondContact O-CB 3.4Å; E545-K549 PolarHBondContact O-N 2.98Å; E546-K549 PolarHBondContact O-N 2.85Å; K549-Y551 VanDerWaalsContact C-N 3.31Å; K549-R552 PolarHBondContact O-N 2.88Å; K549-E553 WeakPolarHBondContact O-CA 3.43Å; K549-E553 WeakPolarHBondContact O-CB 3.4Å; K549-E553 WeakPolarHBondContact O-CG 3.22Å; K549-E553 PolarHBondContact O-N 3.07Å
550K65.1Low65.4Low90 Ų90101.5 Ų101.539%0.39147%0.467SS..Hα-helixtrans-68.8-20.2165.4-65.3165.4177.7166.90112.1E546 W547 L554E546-K550 HydrophobicContact CB-CD 4.32Å; E546-K550 VanDerWaalsContact O-CA 3.3Å; E546-K550 WeakPolarHBondContact O-CA 3.36Å; E546-K550 WeakPolarHBondContact O-CB 3.48Å; E546-K550 WeakPolarHBondContact O-CD 3.37Å; E546-K550 WeakPolarHBondContact O-CG 3.46Å; E546-K550 PolarHBondContact O-N 3.28Å; E546-K550 VanDerWaalsContact OE1-CE 3.28Å; E546-K550 WeakPolarHBondContact OE1-CE 3.18Å; E546-K550 IonicContact OE1-NZ 3.6Å; E546-K550 PolarHBondContact OE1-NZ 3.33Å; E546-K550 VanDerWaalsContact OE1-NZ 3.1Å; E546-K550 IonicContact OE2-NZ 3.74Å; E546-K550 PolarHBondContact OE2-NZ 3.06Å; W547-K550 CarbonylContact O-C 3.15Å; K550-L554 HydrophobicContact CB-CD1 4.32Å; K550-L554 VanDerWaalsContact O-CA 3.28Å; K550-L554 WeakPolarHBondContact O-CA 3.43Å; K550-L554 WeakPolarHBondContact O-CB 3.34Å; K550-L554 WeakPolarHBondContact O-CD1 3.23Å; K550-L554 PolarHBondContact O-N 2.75Å
551Y67.6Low66.1Low133 Ų133101.8 Ų101.852%0.52247%0.473SS..Hα-helixtrans-91.6-23171.3176.4-98.6000111.5W547 E548 K549 Q555W547-Y551 VanDerWaalsContact O-CA 3.23Å; W547-Y551 WeakPolarHBondContact O-CA 3.44Å; W547-Y551 WeakPolarHBondContact O-CB 3.49Å; W547-Y551 PolarHBondContact O-N 3.19Å; E548-Y551 CarbonylContact O-C 3.59Å; E548-Y551 PolarHBondContact O-N 2.86Å; K549-Y551 VanDerWaalsContact C-N 3.31Å; Y551-Q555 HydrophobicContact CD1-CG 4.25Å; Y551-Q555 HydrophobicContact CE1-CG 4Å; Y551-Q555 HydrophobicContact CE2-CG 4.44Å; Y551-Q555 WeakPolarHBondContact O-CA 3.48Å; Y551-Q555 WeakPolarHBondContact O-CB 3.25Å; Y551-Q555 WeakPolarHBondContact O-CG 3.34Å; Y551-Q555 PolarHBondContact O-N 2.81Å; Y551-Q555 PolarHBondContact OH-NE2 3.29Å
552R72.6Confident67Low114 Ų114101.3 Ų101.343%0.4347%0.469SS..Hα-helixtrans-77.9-33.3165.2-74.2179.8-128.7-167.94.4110.9E548 K549 K556E548-R552 VanDerWaalsContact O-CB 3.22Å; E548-R552 WeakPolarHBondContact O-CB 3.29Å; E548-R552 WeakPolarHBondContact O-CG 3.3Å; E548-R552 PolarHBondContact O-N 2.9Å; E548-R552 IonicContact OE2-CZ 2.83Å; E548-R552 IonicContact OE2-NE 3.68Å; E548-R552 IonicContact OE2-NH2 2.67Å; E548-R552 PolarHBondContact OE2-NH2 3.17Å; K549-R552 PolarHBondContact O-N 2.88Å; R552-K556 WeakPolarHBondContact O-CB 3.48Å; R552-K556 WeakPolarHBondContact O-CG 3.36Å; R552-K556 PolarHBondContact O-N 2.76Å
553E71.5Confident68.1Low92 Ų92102.1 Ų102.143%0.4347%0.471SS..Hα-helixtrans-78.7-36.1169.6-77.4-172.2-160.700112.6K549 K556 K557K549-E553 WeakPolarHBondContact O-CA 3.43Å; K549-E553 WeakPolarHBondContact O-CB 3.4Å; K549-E553 WeakPolarHBondContact O-CG 3.22Å; K549-E553 PolarHBondContact O-N 3.07Å; E553-K556 PolarHBondContact O-N 3.44Å; E553-K557 WeakPolarHBondContact O-CA 3.15Å; E553-K557 WeakPolarHBondContact O-CB 3.45Å; E553-K557 VanDerWaalsContact O-CG 3.24Å; E553-K557 WeakPolarHBondContact O-CG 3.46Å; E553-K557 PolarHBondContact O-N 2.79Å
554L63.2Low69.2Low97 Ų97104 Ų10451%0.50848%0.479SS..Hα-helixtrans-71.6-29.5165.9-93.486.7000110.1K550 K557 H558K550-L554 HydrophobicContact CB-CD1 4.32Å; K550-L554 VanDerWaalsContact O-CA 3.28Å; K550-L554 WeakPolarHBondContact O-CA 3.43Å; K550-L554 WeakPolarHBondContact O-CB 3.34Å; K550-L554 WeakPolarHBondContact O-CD1 3.23Å; K550-L554 PolarHBondContact O-N 2.75Å; L554-K557 CarbonylContact O-C 3.58Å; L554-H558 VanDerWaalsContact O-CA 3.25Å; L554-H558 WeakPolarHBondContact O-CA 3.5Å; L554-H558 WeakPolarHBondContact O-CB 3.47Å; L554-H558 PolarHBondContact O-N 2.78Å
555Q72.1Confident70.2Confident17 Ų17109 Ų1098%0.07949%0.488CS..Hα-helixtrans-73.6-32.1169.9-85.4-167.311.200111.4Y551 R559Y551-Q555 HydrophobicContact CD1-CG 4.25Å; Y551-Q555 HydrophobicContact CE1-CG 4Å; Y551-Q555 HydrophobicContact CE2-CG 4.44Å; Y551-Q555 WeakPolarHBondContact O-CA 3.48Å; Y551-Q555 WeakPolarHBondContact O-CB 3.25Å; Y551-Q555 WeakPolarHBondContact O-CG 3.34Å; Y551-Q555 PolarHBondContact O-N 2.81Å; Y551-Q555 PolarHBondContact OH-NE2 3.29Å; Q555-R559 VanDerWaalsContact O-CB 3.25Å; Q555-R559 WeakPolarHBondContact O-CB 3.25Å; Q555-R559 WeakPolarHBondContact O-CG 3.37Å; Q555-R559 PolarHBondContact O-N 2.74Å; Q555-R559 PolarHBondContact O-NE 2.81Å
556K75.8Confident70.9Confident155 Ų155104.9 Ų104.967%0.67448%0.475SS*.Hα-helixtrans-69.5-46.3170.5-86.3-174.7172.8-175.30110.6R552 E553 H558 Q560R552-K556 WeakPolarHBondContact O-CB 3.48Å; R552-K556 WeakPolarHBondContact O-CG 3.36Å; R552-K556 PolarHBondContact O-N 2.76Å; E553-K556 PolarHBondContact O-N 3.44Å; K556-H558 VanDerWaalsContact C-N 3.3Å; K556-H558 PolarHBondContact O-N 2.72Å; K556-Q560 WeakPolarHBondContact O-CB 3.46Å; K556-Q560 PolarHBondContact O-N 2.86Å
557K71.1Confident71.6Confident121 Ų121101.8 Ų101.853%0.52647%0.465SS..Hα-helixtrans-69.5-20.6172.9-72.2172.9175.7171.10112.6E553 L554 L561E553-K557 WeakPolarHBondContact O-CA 3.15Å; E553-K557 WeakPolarHBondContact O-CB 3.45Å; E553-K557 VanDerWaalsContact O-CG 3.24Å; E553-K557 WeakPolarHBondContact O-CG 3.46Å; E553-K557 PolarHBondContact O-N 2.79Å; L554-K557 CarbonylContact O-C 3.58Å; K557-L561 WeakPolarHBondContact O-CA 3.47Å; K557-L561 WeakPolarHBondContact O-CB 3.23Å; K557-L561 VanDerWaalsContact O-CD1 3.29Å; K557-L561 WeakPolarHBondContact O-CD1 3.49Å; K557-L561 WeakPolarHBondContact O-CG 3.49Å; K557-L561 PolarHBondContact O-N 3.35Å
558H74.7Confident72.4Confident115 Ų11597.4 Ų97.453%0.53245%0.454SS..Hα-helixtrans-92.4-31.2176.1179.572.7000110.5L554 K556 L561 I562L554-H558 VanDerWaalsContact O-CA 3.25Å; L554-H558 WeakPolarHBondContact O-CA 3.5Å; L554-H558 WeakPolarHBondContact O-CB 3.47Å; L554-H558 PolarHBondContact O-N 2.78Å; K556-H558 VanDerWaalsContact C-N 3.3Å; K556-H558 PolarHBondContact O-N 2.72Å; H558-L561 CarbonylContact O-C 3.52Å; H558-I562 WeakPolarHBondContact O-CA 3.45Å; H558-I562 WeakPolarHBondContact O-CB 3.44Å; H558-I562 WeakPolarHBondContact O-CD1 3.49Å; H558-I562 WeakPolarHBondContact O-CG1 3.43Å; H558-I562 PolarHBondContact O-N 3.28Å
559R74.6Confident72.6Confident117 Ų11797.6 Ų97.644%0.44246%0.455SS..Hα-helixtrans-65.5-46161.9-78.9-179-77.3-99.4-1.5110.4Q555 I562 T563Q555-R559 VanDerWaalsContact O-CB 3.25Å; Q555-R559 WeakPolarHBondContact O-CB 3.25Å; Q555-R559 WeakPolarHBondContact O-CG 3.37Å; Q555-R559 PolarHBondContact O-N 2.74Å; Q555-R559 PolarHBondContact O-NE 2.81Å; R559-I562 CarbonylContact O-C 3.56Å; R559-I562 PolarHBondContact O-N 3.13Å; R559-I562 VanDerWaalsContact O-N 3.07Å; R559-T563 PolarHBondContact O-N 2.84Å; R559-T563 PolarHBondContact O-OG1 2.68Å; R559-T563 VanDerWaalsContact O-OG1 3.08Å
560Q75Confident73Confident102 Ų10294.8 Ų94.848%0.47745%0.447SS..Hα-helixtrans-63.4-46.6173.9-169.462.249.500110.8K556 I562 T563 D564K556-Q560 WeakPolarHBondContact O-CB 3.46Å; K556-Q560 PolarHBondContact O-N 2.86Å; Q560-I562 PolarHBondContact O-N 2.87Å; Q560-T563 CarbonylContact O-C 3.55Å; Q560-T563 PolarHBondContact O-N 3.4Å; Q560-T563 VanDerWaalsContact O-N 3.15Å; Q560-D564 WeakPolarHBondContact CG-OD2 3.48Å; Q560-D564 PolarHBondContact NE2-OD1 3.19Å; Q560-D564 WeakPolarHBondContact O-CA 3.08Å; Q560-D564 VanDerWaalsContact O-CB 3.27Å; Q560-D564 WeakPolarHBondContact O-CB 3.24Å; Q560-D564 PolarHBondContact O-N 3.43Å
561L69.8Low73.5Confident108 Ų10895 Ų9557%0.56545%0.449SS*.Hα-helixtrans-71.2-6.4171.8-71.5165.1000113.4K557 H558 R565K557-L561 WeakPolarHBondContact O-CA 3.47Å; K557-L561 WeakPolarHBondContact O-CB 3.23Å; K557-L561 VanDerWaalsContact O-CD1 3.29Å; K557-L561 WeakPolarHBondContact O-CD1 3.49Å; K557-L561 WeakPolarHBondContact O-CG 3.49Å; K557-L561 PolarHBondContact O-N 3.35Å; H558-L561 CarbonylContact O-C 3.52Å; L561-R565 WeakPolarHBondContact O-CA 3.3Å; L561-R565 WeakPolarHBondContact O-CB 3.44Å; L561-R565 PolarHBondContact O-N 3.32Å
562I75.6Confident73.8Confident81 Ų8193.9 Ų93.942%0.41545%0.451SS..Hα-helixtrans-88.8-38.7166.4-81.3163.6000109.2H558 R559 Q560 S566H558-I562 WeakPolarHBondContact O-CA 3.45Å; H558-I562 WeakPolarHBondContact O-CB 3.44Å; H558-I562 WeakPolarHBondContact O-CD1 3.49Å; H558-I562 WeakPolarHBondContact O-CG1 3.43Å; H558-I562 PolarHBondContact O-N 3.28Å; R559-I562 CarbonylContact O-C 3.56Å; R559-I562 PolarHBondContact O-N 3.13Å; R559-I562 VanDerWaalsContact O-N 3.07Å; Q560-I562 PolarHBondContact O-N 2.87Å; I562-S566 WeakPolarHBondContact O-CB 3.3Å; I562-S566 PolarHBondContact O-N 2.77Å
563T76.9Confident74Confident87 Ų8791.2 Ų91.253%0.53445%0.45SS..Hα-helixtrans-67.6-43.9171.3-51.30000111.2R559 Q560 S566 S567R559-T563 PolarHBondContact O-N 2.84Å; R559-T563 PolarHBondContact O-OG1 2.68Å; R559-T563 VanDerWaalsContact O-OG1 3.08Å; Q560-T563 CarbonylContact O-C 3.55Å; Q560-T563 PolarHBondContact O-N 3.4Å; Q560-T563 VanDerWaalsContact O-N 3.15Å; T563-S566 PolarHBondContact O-N 2.92Å; T563-S567 VanDerWaalsContact O-CB 3.3Å; T563-S567 WeakPolarHBondContact O-CB 3.41Å; T563-S567 PolarHBondContact O-N 2.87Å
564D73.4Confident74.4Confident59 Ų5993.6 Ų93.632%0.31646%0.459SS..Hα-helixtrans-72-37.5174.9-58-17.7000109.8Q560 S566 S567 L568Q560-D564 WeakPolarHBondContact CG-OD2 3.48Å; Q560-D564 PolarHBondContact NE2-OD1 3.19Å; Q560-D564 WeakPolarHBondContact O-CA 3.08Å; Q560-D564 VanDerWaalsContact O-CB 3.27Å; Q560-D564 WeakPolarHBondContact O-CB 3.24Å; Q560-D564 PolarHBondContact O-N 3.43Å; D564-S566 VanDerWaalsContact C-N 3.33Å; D564-S567 CarbonylContact O-C 3.59Å; D564-S567 PolarHBondContact O-N 3.15Å; D564-L568 WeakPolarHBondContact O-CA 3.3Å; D564-L568 WeakPolarHBondContact O-CB 2.96Å; D564-L568 WeakPolarHBondContact O-CD1 3.37Å; D564-L568 WeakPolarHBondContact O-CG 3.48Å; D564-L568 PolarHBondContact O-N 2.67Å
565R77.6Confident74.7Confident149 Ų14993.8 Ų93.856%0.56246%0.46SS*.Hα-helixtrans-63.9-37.6168171.9-174.8159.7176.10.5111.2L561 L568 E569L561-R565 WeakPolarHBondContact O-CA 3.3Å; L561-R565 WeakPolarHBondContact O-CB 3.44Å; L561-R565 PolarHBondContact O-N 3.32Å; R565-L568 CarbonylContact O-C 3.27Å; R565-L568 PolarHBondContact O-N 2.79Å; R565-E569 HydrophobicContact CG-CG 3.98Å; R565-E569 WeakPolarHBondContact CG-OE2 3.26Å; R565-E569 IonicContact CZ-OE1 3.53Å; R565-E569 IonicContact CZ-OE2 3.53Å; R565-E569 IonicContact NE-OE1 3.84Å; R565-E569 PolarHBondContact NE-OE1 2.84Å; R565-E569 IonicContact NE-OE2 3.57Å; R565-E569 PolarHBondContact NE-OE2 3.11Å; R565-E569 IonicContact NH2-OE1 2.7Å; R565-E569 PolarHBondContact NH2-OE1 3.24Å; R565-E569 IonicContact NH2-OE2 3.36Å; R565-E569 WeakPolarHBondContact O-CA 3.42Å; R565-E569 WeakPolarHBondContact O-CB 3.45Å; R565-E569 WeakPolarHBondContact O-CG 3.38Å; R565-E569 PolarHBondContact O-N 2.66Å
566S75.4Confident74.8Confident62 Ų6295.4 Ų95.443%0.43447%0.474SS..Hα-helixtrans-69.7-38.2176.6-171.30000111I562 T563 D564 E569 D570I562-S566 WeakPolarHBondContact O-CB 3.3Å; I562-S566 PolarHBondContact O-N 2.77Å; T563-S566 PolarHBondContact O-N 2.92Å; D564-S566 VanDerWaalsContact C-N 3.33Å; S566-E569 PolarHBondContact O-N 3.47Å; S566-D570 WeakPolarHBondContact O-CB 3.34Å; S566-D570 PolarHBondContact O-N 3.39Å
567S76.7Confident74.8Confident37 Ų3794.1 Ų94.126%0.25947%0.47SS..Hα-helixtrans-69-34.8173.1-176.10000111.9T563 D564 Q571T563-S567 VanDerWaalsContact O-CB 3.3Å; T563-S567 WeakPolarHBondContact O-CB 3.41Å; T563-S567 PolarHBondContact O-N 2.87Å; D564-S567 CarbonylContact O-C 3.59Å; D564-S567 PolarHBondContact O-N 3.15Å; S567-Q571 WeakPolarHBondContact O-CB 3.42Å; S567-Q571 WeakPolarHBondContact O-CG 3.39Å; S567-Q571 PolarHBondContact O-N 3.12Å; S567-Q571 PolarHBondContact O-NE2 2.93Å; S567-Q571 VanDerWaalsContact O-NE2 3.11Å; S567-Q571 PolarHBondContact OG-NE2 2.92Å
568L71.6Confident75Confident86 Ų8692.5 Ų92.545%0.4546%0.464SS..Hα-helixtrans-80.9-22.3173.6-71.8167.9000112D564 R565 I572D564-L568 WeakPolarHBondContact O-CA 3.3Å; D564-L568 WeakPolarHBondContact O-CB 2.96Å; D564-L568 WeakPolarHBondContact O-CD1 3.37Å; D564-L568 WeakPolarHBondContact O-CG 3.48Å; D564-L568 PolarHBondContact O-N 2.67Å; R565-L568 CarbonylContact O-C 3.27Å; R565-L568 PolarHBondContact O-N 2.79Å; L568-I572 WeakPolarHBondContact O-CA 3.46Å; L568-I572 WeakPolarHBondContact O-CB 3.37Å; L568-I572 VanDerWaalsContact O-CD1 3.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.14Å; L568-I572 WeakPolarHBondContact O-CG1 3.08Å; L568-I572 PolarHBondContact O-N 2.81Å
569E73.9Confident74.8Confident87 Ų8790 Ų9041%0.40746%0.46SS..Hα-helixtrans-79.8-34.7170.7-82.5172.9150.600109.2R565 S566 S573R565-E569 HydrophobicContact CG-CG 3.98Å; R565-E569 WeakPolarHBondContact CG-OE2 3.26Å; R565-E569 IonicContact CZ-OE1 3.53Å; R565-E569 IonicContact CZ-OE2 3.53Å; R565-E569 IonicContact NE-OE1 3.84Å; R565-E569 PolarHBondContact NE-OE1 2.84Å; R565-E569 IonicContact NE-OE2 3.57Å; R565-E569 PolarHBondContact NE-OE2 3.11Å; R565-E569 IonicContact NH2-OE1 2.7Å; R565-E569 PolarHBondContact NH2-OE1 3.24Å; R565-E569 IonicContact NH2-OE2 3.36Å; R565-E569 WeakPolarHBondContact O-CA 3.42Å; R565-E569 WeakPolarHBondContact O-CB 3.45Å; R565-E569 WeakPolarHBondContact O-CG 3.38Å; R565-E569 PolarHBondContact O-N 2.66Å; S566-E569 PolarHBondContact O-N 3.47Å; E569-S573 WeakPolarHBondContact O-CA 3.04Å; E569-S573 WeakPolarHBondContact O-CB 3.05Å; E569-S573 PolarHBondContact O-N 2.89Å
570D79Confident74.7Confident82 Ų8288.4 Ų88.444%0.43946%0.46SS..Hα-helixtrans-65.6-43.7165.8-88.90.9000111.3S566 S573 K574S566-D570 WeakPolarHBondContact O-CB 3.34Å; S566-D570 PolarHBondContact O-N 3.39Å; D570-S573 PolarHBondContact O-N 2.67Å; D570-K574 WeakPolarHBondContact O-CB 3.33Å; D570-K574 WeakPolarHBondContact O-CG 3.19Å; D570-K574 PolarHBondContact O-N 3.33Å
571Q75.5Confident74.8Confident94 Ų9489.1 Ų89.144%0.43946%0.463SS..Hα-helixtrans-71.5-37.8176.1-74167.566.500112.2S567 S573 K574 L575S567-Q571 WeakPolarHBondContact O-CB 3.42Å; S567-Q571 WeakPolarHBondContact O-CG 3.39Å; S567-Q571 PolarHBondContact O-N 3.12Å; S567-Q571 PolarHBondContact O-NE2 2.93Å; S567-Q571 VanDerWaalsContact O-NE2 3.11Å; S567-Q571 PolarHBondContact OG-NE2 2.92Å; Q571-S573 VanDerWaalsContact C-N 3.32Å; Q571-K574 PolarHBondContact O-N 2.83Å; Q571-L575 WeakPolarHBondContact O-CB 3.5Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 2.79Å
572I74.4Confident74.9Confident109 Ų10989.5 Ų89.556%0.55946%0.46SS*.Hα-helixtrans-70.3-31.6171.7-73.8162.3000109.6L568 L575 S576L568-I572 WeakPolarHBondContact O-CA 3.46Å; L568-I572 WeakPolarHBondContact O-CB 3.37Å; L568-I572 VanDerWaalsContact O-CD1 3.28Å; L568-I572 WeakPolarHBondContact O-CD1 3.14Å; L568-I572 WeakPolarHBondContact O-CG1 3.08Å; L568-I572 PolarHBondContact O-N 2.81Å; I572-L575 CarbonylContact O-C 3.54Å; I572-S576 WeakPolarHBondContact O-CA 3.37Å; I572-S576 WeakPolarHBondContact O-CB 3.24Å; I572-S576 PolarHBondContact O-N 3.34Å
573S77.2Confident74.7Confident59 Ų5991 Ų9141%0.41346%0.464SS..Hα-helixtrans-66.1-50.4172.3-169.80000109.6E569 D570 Q571 L575 S576 E577E569-S573 WeakPolarHBondContact O-CA 3.04Å; E569-S573 WeakPolarHBondContact O-CB 3.05Å; E569-S573 PolarHBondContact O-N 2.89Å; D570-S573 PolarHBondContact O-N 2.67Å; Q571-S573 VanDerWaalsContact C-N 3.32Å; S573-L575 PolarHBondContact O-N 2.58Å; S573-S576 CarbonylContact O-C 3.24Å; S573-S576 WeakPolarHBondContact O-CA 3.47Å; S573-S576 WeakPolarHBondContact O-CB 3.29Å; S573-S576 PolarHBondContact O-N 3.27Å; S573-E577 WeakPolarHBondContact O-CG 3.32Å; S573-E577 PolarHBondContact O-N 3.04Å
574K78.4Confident74.7Confident142 Ų14292.8 Ų92.862%0.61746%0.462SS*.Hα-helixtrans-61.7-44.3174.8-75.5-179.8175.9179.80113.1D570 Q571 S576 E577 E578D570-K574 WeakPolarHBondContact O-CB 3.33Å; D570-K574 WeakPolarHBondContact O-CG 3.19Å; D570-K574 PolarHBondContact O-N 3.33Å; Q571-K574 PolarHBondContact O-N 2.83Å; K574-S576 PolarHBondContact O-N 2.87Å; K574-E577 PolarHBondContact O-N 3.1Å; K574-E578 WeakPolarHBondContact O-CB 3.35Å; K574-E578 PolarHBondContact O-N 3.4Å
575L70.7Confident74.7Confident100 Ų10095.3 Ų95.352%0.52447%0.471SS..Hα-helixtrans-69.8-20.9174.5-70.4169.4000112.1Q571 I572 S573 S579Q571-L575 WeakPolarHBondContact O-CB 3.5Å; Q571-L575 WeakPolarHBondContact O-CG 3.14Å; Q571-L575 PolarHBondContact O-N 2.79Å; I572-L575 CarbonylContact O-C 3.54Å; S573-L575 PolarHBondContact O-N 2.58Å; L575-S579 WeakPolarHBondContact O-CA 3.2Å; L575-S579 WeakPolarHBondContact O-CB 3.5Å; L575-S579 PolarHBondContact O-N 3.04Å
576S73.3Confident74.3Confident52 Ų5293 Ų9336%0.36447%0.47SS..Hα-helixtrans-84.6-29.3171.7-1780000111.3I572 S573 K574 N580I572-S576 WeakPolarHBondContact O-CA 3.37Å; I572-S576 WeakPolarHBondContact O-CB 3.24Å; I572-S576 PolarHBondContact O-N 3.34Å; S573-S576 CarbonylContact O-C 3.24Å; S573-S576 WeakPolarHBondContact O-CA 3.47Å; S573-S576 WeakPolarHBondContact O-CB 3.29Å; S573-S576 PolarHBondContact O-N 3.27Å; K574-S576 PolarHBondContact O-N 2.87Å; S576-N580 WeakPolarHBondContact O-CA 3.42Å; S576-N580 WeakPolarHBondContact O-CB 3.31Å; S576-N580 PolarHBondContact O-N 3.39Å; S576-N580 PolarHBondContact O-ND2 3.35Å; S576-N580 PolarHBondContact OG-ND2 3.07Å
577E76.9Confident74.2Confident128 Ų12896.3 Ų96.360%0.59848%0.476SS*.Hα-helixtrans-69.8-52.4168-74.2179.3146.400109.3S573 K574 S579 N580 E581S573-E577 WeakPolarHBondContact O-CG 3.32Å; S573-E577 PolarHBondContact O-N 3.04Å; K574-E577 PolarHBondContact O-N 3.1Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 3.16Å; E577-N580 CarbonylContact O-C 3.45Å; E577-N580 PolarHBondContact O-N 3.4Å; E577-N580 VanDerWaalsContact O-N 3.16Å; E577-E581 VanDerWaalsContact O-CB 3.28Å; E577-E581 WeakPolarHBondContact O-CB 3.31Å; E577-E581 PolarHBondContact O-N 3.43Å
578E74.9Confident74.3Confident87 Ų8797.6 Ų97.641%0.40748%0.478SS..Hα-helixtrans-57.1-40.7170.2-77-170.5-142.600112.3K574 E581 K582K574-E578 WeakPolarHBondContact O-CB 3.35Å; K574-E578 PolarHBondContact O-N 3.4Å; E578-E581 PolarHBondContact O-N 2.97Å; E578-K582 WeakPolarHBondContact O-CB 3.46Å; E578-K582 VanDerWaalsContact O-CD 3.32Å; E578-K582 WeakPolarHBondContact O-CD 3.36Å; E578-K582 WeakPolarHBondContact O-CG 3.41Å; E578-K582 PolarHBondContact O-N 3.13Å; E578-K582 IonicContact OE2-NZ 3.79Å; E578-K582 PolarHBondContact OE2-NZ 2.95Å
579S69.8Low74.1Confident62 Ų6296 Ų9643%0.43448%0.477SS..Hα-helixtrans-72.4-35.7177.3-178.60000111.2L575 E577 E581 K582 K583L575-S579 WeakPolarHBondContact O-CA 3.2Å; L575-S579 WeakPolarHBondContact O-CB 3.5Å; L575-S579 PolarHBondContact O-N 3.04Å; E577-S579 VanDerWaalsContact C-N 3.3Å; E577-S579 PolarHBondContact O-N 3.16Å; S579-E581 VanDerWaalsContact C-N 3.35Å; S579-K582 CarbonylContact O-C 3.48Å; S579-K583 WeakPolarHBondContact O-CA 3.5Å; S579-K583 WeakPolarHBondContact O-CB 3.36Å; S579-K583 PolarHBondContact O-N 2.71Å
580N73Confident74Confident84 Ų8494.7 Ų94.745%0.44947%0.472SS..Hα-helixtrans-71.9-29.9173.6-78-47.3000111.9S576 E577 K583 Y584S576-N580 WeakPolarHBondContact O-CA 3.42Å; S576-N580 WeakPolarHBondContact O-CB 3.31Å; S576-N580 PolarHBondContact O-N 3.39Å; S576-N580 PolarHBondContact O-ND2 3.35Å; S576-N580 PolarHBondContact OG-ND2 3.07Å; E577-N580 CarbonylContact O-C 3.45Å; E577-N580 PolarHBondContact O-N 3.4Å; E577-N580 VanDerWaalsContact O-N 3.16Å; N580-K583 CarbonylContact O-C 3.57Å; N580-K583 PolarHBondContact O-N 3.06Å; N580-Y584 VanDerWaalsContact O-CB 3.22Å; N580-Y584 WeakPolarHBondContact O-CB 3.48Å; N580-Y584 PolarHBondContact O-N 2.94Å
581E76.1Confident73.8Confident117 Ų11797.3 Ų97.355%0.54748%0.48SS..Hα-helixtrans-73.5-47.4172.3-169.7175.2-127.500110.3E577 E578 S579 K583 Y584 Q585E577-E581 VanDerWaalsContact O-CB 3.28Å; E577-E581 WeakPolarHBondContact O-CB 3.31Å; E577-E581 PolarHBondContact O-N 3.43Å; E578-E581 PolarHBondContact O-N 2.97Å; S579-E581 VanDerWaalsContact C-N 3.35Å; E581-K583 PolarHBondContact O-N 3.33Å; E581-Y584 CarbonylContact O-C 3.59Å; E581-Y584 WeakPolarHBondContact O-CA 3.5Å; E581-Y584 WeakPolarHBondContact O-CB 3.43Å; E581-Y584 PolarHBondContact O-N 3.17Å; E581-Q585 WeakPolarHBondContact O-CB 3.5Å; E581-Q585 VanDerWaalsContact O-CG 3.3Å; E581-Q585 WeakPolarHBondContact O-CG 3.37Å; E581-Q585 PolarHBondContact O-N 3.24Å
582K71.8Confident73.6Confident116 Ų116101 Ų10150%0.50449%0.491SS..Hα-helixtrans-61-29.1169.5-71.6160.1-174.8161.10112E578 S579 L586E578-K582 WeakPolarHBondContact O-CB 3.46Å; E578-K582 VanDerWaalsContact O-CD 3.32Å; E578-K582 WeakPolarHBondContact O-CD 3.36Å; E578-K582 WeakPolarHBondContact O-CG 3.41Å; E578-K582 PolarHBondContact O-N 3.13Å; E578-K582 IonicContact OE2-NZ 3.79Å; E578-K582 PolarHBondContact OE2-NZ 2.95Å; S579-K582 CarbonylContact O-C 3.48Å; K582-L586 WeakPolarHBondContact O-CB 3.28Å; K582-L586 PolarHBondContact O-N 2.84Å
583K72.5Confident73.4Confident111 Ų111102 Ų10248%0.48349%0.488SS..Hα-helixtrans-86.1-18.6175.1-173-179.1-170177.50112.5S579 N580 E581 K587S579-K583 WeakPolarHBondContact O-CA 3.5Å; S579-K583 WeakPolarHBondContact O-CB 3.36Å; S579-K583 PolarHBondContact O-N 2.71Å; N580-K583 CarbonylContact O-C 3.57Å; N580-K583 PolarHBondContact O-N 3.06Å; E581-K583 PolarHBondContact O-N 3.33Å; K583-K587 VanDerWaalsContact O-CB 3.25Å; K583-K587 WeakPolarHBondContact O-CB 3.47Å; K583-K587 WeakPolarHBondContact O-CD 3.33Å; K583-K587 WeakPolarHBondContact O-CG 3.11Å; K583-K587 PolarHBondContact O-N 2.98Å
584Y75.7Confident73.3Confident126 Ų126102 Ų10249%0.49448%0.483SS..Hα-helixtrans-77.5-50.7166.4-179.1-86.4000109.1N580 E581 L586 K587 E588N580-Y584 VanDerWaalsContact O-CB 3.22Å; N580-Y584 WeakPolarHBondContact O-CB 3.48Å; N580-Y584 PolarHBondContact O-N 2.94Å; E581-Y584 CarbonylContact O-C 3.59Å; E581-Y584 WeakPolarHBondContact O-CA 3.5Å; E581-Y584 WeakPolarHBondContact O-CB 3.43Å; E581-Y584 PolarHBondContact O-N 3.17Å; Y584-L586 VanDerWaalsContact C-N 3.27Å; Y584-L586 PolarHBondContact O-N 3.04Å; Y584-K587 CarbonylContact O-C 3.26Å; Y584-K587 WeakPolarHBondContact O-CA 3.45Å; Y584-K587 WeakPolarHBondContact O-CB 3.23Å; Y584-K587 PolarHBondContact O-N 3.29Å; Y584-E588 HydrophobicContact CD1-CG 4.25Å; Y584-E588 HydrophobicContact CE1-CG 3.7Å; Y584-E588 WeakPolarHBondContact CE1-OE2 3.36Å; Y584-E588 PolarHBondContact O-N 3.02Å; Y584-E588 PolarHBondContact OH-OE1 2.6Å
585Q73.8Confident73Confident111 Ų11197.4 Ų97.452%0.51947%0.472SS..Hα-helixtrans-56.2-39.4169.1-67.71721500111.5E581 E588 A589E581-Q585 WeakPolarHBondContact O-CB 3.5Å; E581-Q585 VanDerWaalsContact O-CG 3.3Å; E581-Q585 WeakPolarHBondContact O-CG 3.37Å; E581-Q585 PolarHBondContact O-N 3.24Å; Q585-E588 PolarHBondContact O-N 3.09Å; Q585-A589 VanDerWaalsContact O-CB 3.24Å; Q585-A589 WeakPolarHBondContact O-CB 3.31Å; Q585-A589 PolarHBondContact O-N 2.73Å
586L69Low72.9Confident100 Ų10095 Ų9552%0.52447%0.466SS..Hα-helixtrans-71.9-32.5172.6-175.863.7000112.2K582 Y584 I590K582-L586 WeakPolarHBondContact O-CB 3.28Å; K582-L586 PolarHBondContact O-N 2.84Å; Y584-L586 VanDerWaalsContact C-N 3.27Å; Y584-L586 PolarHBondContact O-N 3.04Å; L586-I590 HydrophobicContact CD1-CD1 4.39Å; L586-I590 HydrophobicContact CD1-CG1 4.47Å; L586-I590 HydrophobicContact CG-CD1 3.99Å; L586-I590 HydrophobicContact CG-CG1 4.48Å; L586-I590 WeakPolarHBondContact O-CB 3.34Å; L586-I590 WeakPolarHBondContact O-CD1 3.19Å; L586-I590 WeakPolarHBondContact O-CG1 3.41Å; L586-I590 PolarHBondContact O-N 3.12Å
587K74.7Confident72.9Confident132 Ų132100.8 Ų100.857%0.57448%0.48SS*.Hα-helixtrans-68.8-34.9170.9-85.7170.4178.6179.10111.9K583 Y584 K591K583-K587 VanDerWaalsContact O-CB 3.25Å; K583-K587 WeakPolarHBondContact O-CB 3.47Å; K583-K587 WeakPolarHBondContact O-CD 3.33Å; K583-K587 WeakPolarHBondContact O-CG 3.11Å; K583-K587 PolarHBondContact O-N 2.98Å; Y584-K587 CarbonylContact O-C 3.26Å; Y584-K587 WeakPolarHBondContact O-CA 3.45Å; Y584-K587 WeakPolarHBondContact O-CB 3.23Å; Y584-K587 PolarHBondContact O-N 3.29Å; K587-K591 WeakPolarHBondContact O-CG 3.15Å; K587-K591 PolarHBondContact O-N 3.08Å
588E77.3Confident72.8Confident65 Ų65100.2 Ų100.230%0.30448%0.477SS..Hα-helixtrans-71.9-45.4171.7-71.4-161137.200110.9Y584 Q585 I590 K591 Y592Y584-E588 HydrophobicContact CD1-CG 4.25Å; Y584-E588 HydrophobicContact CE1-CG 3.7Å; Y584-E588 WeakPolarHBondContact CE1-OE2 3.36Å; Y584-E588 PolarHBondContact O-N 3.02Å; Y584-E588 PolarHBondContact OH-OE1 2.6Å; Q585-E588 PolarHBondContact O-N 3.09Å; E588-I590 PolarHBondContact O-N 3.36Å; E588-K591 CarbonylContact O-C 3.28Å; E588-K591 WeakPolarHBondContact O-CA 3.23Å; E588-K591 WeakPolarHBondContact O-CB 3Å; E588-K591 PolarHBondContact O-N 2.76Å; E588-Y592 HydrophobicContact CB-CD2 4.37Å; E588-Y592 HydrophobicContact CB-CE2 4.38Å; E588-Y592 WeakPolarHBondContact O-CB 3.42Å; E588-Y592 WeakPolarHBondContact O-CD2 3.42Å; E588-Y592 PolarHBondContact O-N 3.16Å
589A67.6Low72.7Confident52 Ų52100.8 Ų100.843%0.4348%0.483SS..Hα-helixtrans-60.4-32.3171.600000112Q585 R593Q585-A589 VanDerWaalsContact O-CB 3.24Å; Q585-A589 WeakPolarHBondContact O-CB 3.31Å; Q585-A589 PolarHBondContact O-N 2.73Å; A589-R593 WeakPolarHBondContact O-CA 3.16Å; A589-R593 WeakPolarHBondContact O-CB 3.42Å; A589-R593 PolarHBondContact O-N 3.33Å
590I71.7Confident72.6Confident59 Ų59105.7 Ų105.730%0.30350%0.497SS..Hα-helixtrans-70.9-42170.3-77.6167.3000111.1L586 E588 R593 D594L586-I590 HydrophobicContact CD1-CD1 4.39Å; L586-I590 HydrophobicContact CD1-CG1 4.47Å; L586-I590 HydrophobicContact CG-CD1 3.99Å; L586-I590 HydrophobicContact CG-CG1 4.48Å; L586-I590 WeakPolarHBondContact O-CB 3.34Å; L586-I590 WeakPolarHBondContact O-CD1 3.19Å; L586-I590 WeakPolarHBondContact O-CG1 3.41Å; L586-I590 PolarHBondContact O-N 3.12Å; E588-I590 PolarHBondContact O-N 3.36Å; I590-R593 PolarHBondContact O-N 2.71Å; I590-D594 WeakPolarHBondContact CG2-OD2 3.3Å; I590-D594 WeakPolarHBondContact O-CB 3.47Å; I590-D594 PolarHBondContact O-N 3.23Å
591K76.1Confident72.6Confident138 Ų138104 Ų10460%0.650%0.495SS*.Hα-helixtrans-61.2-45.9172.1-78.6175177.1178.20111.6K587 E588 D594 A595K587-K591 WeakPolarHBondContact O-CG 3.15Å; K587-K591 PolarHBondContact O-N 3.08Å; E588-K591 CarbonylContact O-C 3.28Å; E588-K591 WeakPolarHBondContact O-CA 3.23Å; E588-K591 WeakPolarHBondContact O-CB 3Å; E588-K591 PolarHBondContact O-N 2.76Å; K591-D594 PolarHBondContact O-N 2.81Å; K591-A595 WeakPolarHBondContact O-CB 3.5Å; K591-A595 PolarHBondContact O-N 3.05Å
592Y70.1Confident72.5Confident170 Ų170103.3 Ų103.367%0.66749%0.492SS*.Hα-helixtrans-67.3-37.3176.4-76.2-64.8000111.6E588 A596E588-Y592 HydrophobicContact CB-CD2 4.37Å; E588-Y592 HydrophobicContact CB-CE2 4.38Å; E588-Y592 WeakPolarHBondContact O-CB 3.42Å; E588-Y592 WeakPolarHBondContact O-CD2 3.42Å; E588-Y592 PolarHBondContact O-N 3.16Å; Y592-A596 WeakPolarHBondContact O-CB 3.39Å; Y592-A596 PolarHBondContact O-N 3.24Å
593R70.9Confident72.4Confident132 Ų132100 Ų10050%0.49849%0.485SS..Hα-helixtrans-65-43.2171.5-178.8-157.672.6-168-2.7111.4A589 I590 A596 R597A589-R593 WeakPolarHBondContact O-CA 3.16Å; A589-R593 WeakPolarHBondContact O-CB 3.42Å; A589-R593 PolarHBondContact O-N 3.33Å; I590-R593 PolarHBondContact O-N 2.71Å; R593-A596 CarbonylContact O-C 3.59Å; R593-R597 WeakPolarHBondContact O-CB 3.15Å; R593-R597 PolarHBondContact O-N 2.93Å
594D74.5Confident72.2Confident59 Ų5997 Ų9732%0.31648%0.479SS..Hα-helixtrans-80.2-30.9-174.9-68.8-16.6000111.7I590 K591 R597 Q598I590-D594 WeakPolarHBondContact CG2-OD2 3.3Å; I590-D594 WeakPolarHBondContact O-CB 3.47Å; I590-D594 PolarHBondContact O-N 3.23Å; K591-D594 PolarHBondContact O-N 2.81Å; D594-R597 PolarHBondContact O-N 3.18Å; D594-Q598 PolarHBondContact O-N 3.36Å
595A72.8Confident72.3Confident45 Ų4595.8 Ų95.837%0.37248%0.48SS..Hα-helixtrans-63.6-54.1162.900000110.5K591 R597 Q598 D599K591-A595 WeakPolarHBondContact O-CB 3.5Å; K591-A595 PolarHBondContact O-N 3.05Å; A595-R597 PolarHBondContact O-N 3.27Å; A595-R597 VanDerWaalsContact O-N 3.07Å; A595-Q598 CarbonylContact O-C 3.55Å; A595-Q598 WeakPolarHBondContact O-CA 3.13Å; A595-Q598 WeakPolarHBondContact O-CB 3.23Å; A595-Q598 PolarHBondContact O-N 3.14Å; A595-D599 VanDerWaalsContact O-CG 3.26Å; A595-D599 PolarHBondContact O-N 2.87Å
596A68.3Low72.3Confident49 Ų4997 Ų9741%0.40548%0.484SS..Hα-helixtrans-60.5-23.1175.900000113.2Y592 R593 D599 F600Y592-A596 WeakPolarHBondContact O-CB 3.39Å; Y592-A596 PolarHBondContact O-N 3.24Å; R593-A596 CarbonylContact O-C 3.59Å; A596-D599 WeakPolarHBondContact CA-OD2 3.18Å; A596-F600 VanDerWaalsContact O-CB 3.32Å; A596-F600 WeakPolarHBondContact O-CB 3.21Å; A596-F600 PolarHBondContact O-N 3.12Å
597R73.7Confident72.5Confident173 Ų17395.4 Ų95.465%0.65348%0.476SS*.Hα-helixtrans-82.4-29.8173.1-174.9-179-175.9-163.20.9112.4R593 D594 A595 A601R593-R597 WeakPolarHBondContact O-CB 3.15Å; R593-R597 PolarHBondContact O-N 2.93Å; D594-R597 PolarHBondContact O-N 3.18Å; A595-R597 PolarHBondContact O-N 3.27Å; A595-R597 VanDerWaalsContact O-N 3.07Å; R597-A601 WeakPolarHBondContact O-CB 3.3Å; R597-A601 PolarHBondContact O-N 2.75Å
598Q75.6Confident72.5Confident116 Ų11690.1 Ų90.154%0.54245%0.454SS..Hα-helixtrans-69.3-46.2165.3-177.7177.7-28.900110.1D594 A595 F600 A601 E602D594-Q598 PolarHBondContact O-N 3.36Å; A595-Q598 CarbonylContact O-C 3.55Å; A595-Q598 WeakPolarHBondContact O-CA 3.13Å; A595-Q598 WeakPolarHBondContact O-CB 3.23Å; A595-Q598 PolarHBondContact O-N 3.14Å; Q598-F600 PolarHBondContact O-N 2.89Å; Q598-A601 CarbonylContact O-C 3.56Å; Q598-A601 WeakPolarHBondContact O-CA 3.01Å; Q598-A601 WeakPolarHBondContact O-CB 3.21Å; Q598-A601 PolarHBondContact O-N 3.13Å; Q598-E602 HydrophobicContact CG-CG 4.44Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.33Å; Q598-E602 PolarHBondContact NE2-OE1 3.37Å; Q598-E602 PolarHBondContact O-N 3.28Å
599D72.1Confident72.4Confident100 Ų10093.4 Ų93.454%0.53547%0.47SS..Hα-helixtrans-56.1-40.3171.4-57.3-29.6000110.6A595 A596 A601 A603A595-D599 VanDerWaalsContact O-CG 3.26Å; A595-D599 PolarHBondContact O-N 2.87Å; A596-D599 WeakPolarHBondContact CA-OD2 3.18Å; D599-A601 VanDerWaalsContact C-N 3.35Å; D599-A603 WeakPolarHBondContact O-CB 3.24Å; D599-A603 PolarHBondContact O-N 2.96Å
600F66.9Low72.6Confident165 Ų16595.9 Ų95.972%0.72448%0.475SS*.Hα-helixtrans-67.4-31.2173.4-131.8-84.5000113.4A596 Q598 S604A596-F600 VanDerWaalsContact O-CB 3.32Å; A596-F600 WeakPolarHBondContact O-CB 3.21Å; A596-F600 PolarHBondContact O-N 3.12Å; Q598-F600 PolarHBondContact O-N 2.89Å; F600-S604 WeakPolarHBondContact O-CB 3.46Å; F600-S604 PolarHBondContact O-N 3.32Å
601A73.3Confident72.5Confident48 Ų4894.9 Ų94.940%0.39747%0.47SS..Hα-helixtrans-73.4-48.8175.500000110.7R597 Q598 D599 A603 S604 D605R597-A601 WeakPolarHBondContact O-CB 3.3Å; R597-A601 PolarHBondContact O-N 2.75Å; Q598-A601 CarbonylContact O-C 3.56Å; Q598-A601 WeakPolarHBondContact O-CA 3.01Å; Q598-A601 WeakPolarHBondContact O-CB 3.21Å; Q598-A601 PolarHBondContact O-N 3.13Å; D599-A601 VanDerWaalsContact C-N 3.35Å; A601-A603 VanDerWaalsContact C-N 3.3Å; A601-A603 PolarHBondContact O-N 3.25Å; A601-S604 CarbonylContact O-C 3.57Å; A601-S604 WeakPolarHBondContact O-CA 3.16Å; A601-S604 WeakPolarHBondContact O-CB 3.27Å; A601-S604 PolarHBondContact O-N 3.17Å; A601-D605 PolarHBondContact O-N 3.11Å
602E74.8Confident72.5Confident103 Ų10392.7 Ų92.748%0.48147%0.465SS..Hα-helixtrans-61.8-37.6175.1-67-175.9-151.700111.5Q598 K606Q598-E602 HydrophobicContact CG-CG 4.44Å; Q598-E602 WeakPolarHBondContact CG-OE1 3.33Å; Q598-E602 PolarHBondContact NE2-OE1 3.37Å; Q598-E602 PolarHBondContact O-N 3.28Å; E602-K606 WeakPolarHBondContact O-CB 3.38Å; E602-K606 PolarHBondContact O-N 3.19Å
603A68Low72.7Confident45 Ų4589.4 Ų89.437%0.37246%0.455SS..Hα-helixtrans-68.5-38.1170.500000112.6D599 A601 K606 I607D599-A603 WeakPolarHBondContact O-CB 3.24Å; D599-A603 PolarHBondContact O-N 2.96Å; A601-A603 VanDerWaalsContact C-N 3.3Å; A601-A603 PolarHBondContact O-N 3.25Å; A603-K606 PolarHBondContact O-N 3.14Å; A603-I607 VanDerWaalsContact O-CB 3.3Å; A603-I607 WeakPolarHBondContact O-CB 3.16Å; A603-I607 WeakPolarHBondContact O-CD1 3.28Å; A603-I607 WeakPolarHBondContact O-CG1 3.44Å; A603-I607 PolarHBondContact O-N 3.02Å
604S69.8Low72.8Confident49 Ų4988.2 Ų88.234%0.34345%0.454SS..Hα-helixtrans-65.7-38175.6-177.10000111.9F600 A601 I607 T608F600-S604 WeakPolarHBondContact O-CB 3.46Å; F600-S604 PolarHBondContact O-N 3.32Å; A601-S604 CarbonylContact O-C 3.57Å; A601-S604 WeakPolarHBondContact O-CA 3.16Å; A601-S604 WeakPolarHBondContact O-CB 3.27Å; A601-S604 PolarHBondContact O-N 3.17Å; S604-I607 PolarHBondContact O-N 3.35Å; S604-T608 WeakPolarHBondContact O-CB 3.48Å; S604-T608 PolarHBondContact O-N 2.93Å; S604-T608 PolarHBondContact O-OG1 2.76Å
605D76.7Confident72.8Confident100 Ų10090 Ų9054%0.53546%0.46SS..Hα-helixtrans-73.7-39.1175.7-73.8-23.3000111.5A601 I607 T608 E609 R1702A601-D605 PolarHBondContact O-N 3.11Å; D605-I607 PolarHBondContact O-N 2.8Å; D605-T608 CarbonylContact O-C 3.54Å; D605-T608 WeakPolarHBondContact O-CA 3.36Å; D605-T608 VanDerWaalsContact O-CB 3.28Å; D605-T608 WeakPolarHBondContact O-CB 3.31Å; D605-T608 PolarHBondContact O-N 3.06Å; D605-E609 PolarHBondContact O-N 2.8Å; D605-R1702 IonicContact OD1-NH2 3.54Å
606K75.4Confident73Confident136 Ų13695 Ų9559%0.59147%0.473SS*.Hα-helixtrans-62.1-40.1167.9-94.4169.5176.61620113.2E602 A603 T608 E609 L610E602-K606 WeakPolarHBondContact O-CB 3.38Å; E602-K606 PolarHBondContact O-N 3.19Å; A603-K606 PolarHBondContact O-N 3.14Å; K606-T608 PolarHBondContact O-N 3.2Å; K606-E609 PolarHBondContact O-N 3.26Å; K606-L610 VanDerWaalsContact O-CB 3.27Å; K606-L610 WeakPolarHBondContact O-CB 3.46Å; K606-L610 WeakPolarHBondContact O-CG 3.48Å; K606-L610 PolarHBondContact O-N 3.09Å
607I72.8Confident73.2Confident68 Ų6898.1 Ų98.135%0.34948%0.483SS..Hα-helixtrans-60.7-33.5171.7-75164.7000110.5A603 S604 D605 M611A603-I607 VanDerWaalsContact O-CB 3.3Å; A603-I607 WeakPolarHBondContact O-CB 3.16Å; A603-I607 WeakPolarHBondContact O-CD1 3.28Å; A603-I607 WeakPolarHBondContact O-CG1 3.44Å; A603-I607 PolarHBondContact O-N 3.02Å; S604-I607 PolarHBondContact O-N 3.35Å; D605-I607 PolarHBondContact O-N 2.8Å; I607-M611 HydrophobicContact CG2-CE 3.5Å; I607-M611 HydrophobicContact CG2-SD 4.14Å; I607-M611 WeakPolarHBondContact O-CB 3.39Å; I607-M611 WeakPolarHBondContact O-CG 3.4Å; I607-M611 PolarHBondContact O-N 2.71Å
608T73.9Confident73.1Confident21 Ų2194.3 Ų94.313%0.12948%0.475CS..Hα-helixtrans-75-39.9177.9-56.10000112.5S604 D605 K606 M611 N612 R1702S604-T608 WeakPolarHBondContact O-CB 3.48Å; S604-T608 PolarHBondContact O-N 2.93Å; S604-T608 PolarHBondContact O-OG1 2.76Å; D605-T608 CarbonylContact O-C 3.54Å; D605-T608 WeakPolarHBondContact O-CA 3.36Å; D605-T608 VanDerWaalsContact O-CB 3.28Å; D605-T608 WeakPolarHBondContact O-CB 3.31Å; D605-T608 PolarHBondContact O-N 3.06Å; K606-T608 PolarHBondContact O-N 3.2Å; T608-M611 WeakPolarHBondContact O-CB 3.49Å; T608-M611 PolarHBondContact O-N 2.87Å; T608-N612 PolarHBondContact O-N 2.92Å; T608-N612 PolarHBondContact O-ND2 2.91Å; T608-R1702 PolarHBondContact OG1-NE 2.81Å; T608-R1702 PolarHBondContact OG1-NH2 3.28Å
609E75.7Confident73.2Confident134 Ų13496 Ų9663%0.62648%0.476SS*.Hα-helixtrans-63.6-49.2173.3-170.4161.2-133.400110.5D605 K606 M611 N612 E613D605-E609 PolarHBondContact O-N 2.8Å; K606-E609 PolarHBondContact O-N 3.26Å; E609-M611 VanDerWaalsContact C-N 3.27Å; E609-M611 PolarHBondContact O-N 2.82Å; E609-N612 WeakPolarHBondContact O-CB 3.31Å; E609-N612 PolarHBondContact O-N 2.67Å; E609-N612 VanDerWaalsContact O-N 3.1Å; E609-E613 WeakPolarHBondContact O-CB 3.44Å; E609-E613 PolarHBondContact O-N 3.39Å
610L71.7Confident73.3Confident104 Ų10493.5 Ų93.555%0.54547%0.47SS..Hα-helixtrans-61.5-29.4172.6-69.6169000113K606 K614K606-L610 VanDerWaalsContact O-CB 3.27Å; K606-L610 WeakPolarHBondContact O-CB 3.46Å; K606-L610 WeakPolarHBondContact O-CG 3.48Å; K606-L610 PolarHBondContact O-N 3.09Å; L610-K614 WeakPolarHBondContact O-CB 3.33Å; L610-K614 PolarHBondContact O-N 3.06Å
611M69Low73.5Confident38 Ų3888.6 Ų88.619%0.18746%0.456CS..Hα-helixtrans-70.6-43.3171-83.5169.7-174.600112.4I607 T608 E609 E613 Q615 S1699 G1701I607-M611 HydrophobicContact CG2-CE 3.5Å; I607-M611 HydrophobicContact CG2-SD 4.14Å; I607-M611 WeakPolarHBondContact O-CB 3.39Å; I607-M611 WeakPolarHBondContact O-CG 3.4Å; I607-M611 PolarHBondContact O-N 2.71Å; T608-M611 WeakPolarHBondContact O-CB 3.49Å; T608-M611 PolarHBondContact O-N 2.87Å; E609-M611 VanDerWaalsContact C-N 3.27Å; E609-M611 PolarHBondContact O-N 2.82Å; M611-E613 VanDerWaalsContact C-N 3.31Å; M611-Q615 VanDerWaalsContact O-CB 3.29Å; M611-Q615 WeakPolarHBondContact O-CB 3.34Å; M611-Q615 PolarHBondContact O-N 3.04Å; M611-S1699 WeakPolarHBondContact CE-O 3.3Å; M611-G1701 WeakPolarHBondContact CE-O 3.47Å
612N76.5Confident73.7Confident92 Ų9294.1 Ų94.149%0.49247%0.467SS..Hα-helixtrans-64.9-39175.6-73.7-34.1000110.9T608 E609 Q615 K616T608-N612 PolarHBondContact O-N 2.92Å; T608-N612 PolarHBondContact O-ND2 2.91Å; E609-N612 WeakPolarHBondContact O-CB 3.31Å; E609-N612 PolarHBondContact O-N 2.67Å; E609-N612 VanDerWaalsContact O-N 3.1Å; N612-Q615 CarbonylContact O-C 3.49Å; N612-Q615 PolarHBondContact O-N 2.8Å; N612-K616 WeakPolarHBondContact O-CG 3.22Å; N612-K616 PolarHBondContact O-N 2.85Å
613E73.8Confident73.8Confident100 Ų10095.1 Ų95.147%0.46747%0.471SS..Hα-helixtrans-68.2-48175-172.2161.2-120.400112E609 M611 Q615 K616 L617E609-E613 WeakPolarHBondContact O-CB 3.44Å; E609-E613 PolarHBondContact O-N 3.39Å; M611-E613 VanDerWaalsContact C-N 3.31Å; E613-Q615 PolarHBondContact O-N 2.85Å; E613-K616 CarbonylContact O-C 3.56Å; E613-K616 WeakPolarHBondContact O-CA 3.11Å; E613-K616 WeakPolarHBondContact O-CB 3.42Å; E613-K616 PolarHBondContact O-N 2.99Å; E613-L617 HydrophobicContact CG-CD1 4.24Å; E613-L617 WeakPolarHBondContact O-CG 3.32Å; E613-L617 PolarHBondContact O-N 2.95Å
614K74Confident74.1Confident108 Ų108101.6 Ų101.647%0.4749%0.486SS..Hα-helixtrans-54.3-37169.2178.8175.7179.2175.10112L610 L618L610-K614 WeakPolarHBondContact O-CB 3.33Å; L610-K614 PolarHBondContact O-N 3.06Å; K614-L618 HydrophobicContact CG-CD1 4.2Å; K614-L618 VanDerWaalsContact O-CB 3.29Å; K614-L618 WeakPolarHBondContact O-CB 3.12Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 3.48Å
615Q73.6Confident74.3Confident97 Ų97104.7 Ų104.745%0.45350%0.495SS..Hα-helixtrans-77.2-22176.7-165.6175.7-5.600113.5M611 N612 E613 R619M611-Q615 VanDerWaalsContact O-CB 3.29Å; M611-Q615 WeakPolarHBondContact O-CB 3.34Å; M611-Q615 PolarHBondContact O-N 3.04Å; N612-Q615 CarbonylContact O-C 3.49Å; N612-Q615 PolarHBondContact O-N 2.8Å; E613-Q615 PolarHBondContact O-N 2.85Å; Q615-R619 WeakPolarHBondContact O-CG 3.41Å
616K78.2Confident74.3Confident148 Ų148104.9 Ų104.964%0.64350%0.496SS*.Hα-helixtrans-73.5-49.6165.7-71.3171.7-178.9174.70110.6N612 E613 L618 R619 A620N612-K616 WeakPolarHBondContact O-CG 3.22Å; N612-K616 PolarHBondContact O-N 2.85Å; E613-K616 CarbonylContact O-C 3.56Å; E613-K616 WeakPolarHBondContact O-CA 3.11Å; E613-K616 WeakPolarHBondContact O-CB 3.42Å; E613-K616 PolarHBondContact O-N 2.99Å; K616-L618 VanDerWaalsContact C-N 3.29Å; K616-L618 PolarHBondContact O-N 3.15Å; K616-R619 WeakPolarHBondContact O-CA 3.16Å; K616-R619 WeakPolarHBondContact O-CB 3.34Å; K616-R619 PolarHBondContact O-N 3.19Å; K616-A620 PolarHBondContact O-N 3.31Å; K616-A620 VanDerWaalsContact O-N 3.09Å
617L71.8Confident74.3Confident116 Ų116104 Ų10461%0.60749%0.494SS*.Hα-helixtrans-59.9-37.1178.5-67.4171.2000111.8E613 R619 A620 S621E613-L617 HydrophobicContact CG-CD1 4.24Å; E613-L617 WeakPolarHBondContact O-CG 3.32Å; E613-L617 PolarHBondContact O-N 2.95Å; L617-R619 PolarHBondContact O-N 3.25Å; L617-A620 PolarHBondContact O-N 2.79Å; L617-S621 VanDerWaalsContact O-CB 3.22Å; L617-S621 WeakPolarHBondContact O-CB 3.1Å; L617-S621 PolarHBondContact O-N 3.07Å
618L71.8Confident74.2Confident93 Ų93104.5 Ų104.549%0.48750%0.503SS..Hα-helixtrans-66.8-15.2172.1-90.6164.8000115.1K614 K616 R622K614-L618 HydrophobicContact CG-CD1 4.2Å; K614-L618 VanDerWaalsContact O-CB 3.29Å; K614-L618 WeakPolarHBondContact O-CB 3.12Å; K614-L618 WeakPolarHBondContact O-CG 3.46Å; K614-L618 PolarHBondContact O-N 3.48Å; K616-L618 VanDerWaalsContact C-N 3.29Å; K616-L618 PolarHBondContact O-N 3.15Å; L618-R622 WeakPolarHBondContact O-CD 3.21Å; L618-R622 WeakPolarHBondContact O-CG 3.18Å
619R77.4Confident74.3Confident150 Ų150107.8 Ų107.857%0.56652%0.52SS*.Hα-helixtrans-87.4-51.2170-63.8176.8-159.9-160.44.1110.3Q615 K616 L617 S621 R622 E623Q615-R619 WeakPolarHBondContact O-CG 3.41Å; K616-R619 WeakPolarHBondContact O-CA 3.16Å; K616-R619 WeakPolarHBondContact O-CB 3.34Å; K616-R619 PolarHBondContact O-N 3.19Å; L617-R619 PolarHBondContact O-N 3.25Å; R619-S621 PolarHBondContact O-N 2.88Å; R619-R622 WeakPolarHBondContact O-CA 3.03Å; R619-R622 WeakPolarHBondContact O-CB 3.36Å; R619-R622 PolarHBondContact O-N 2.64Å; R619-E623 PolarHBondContact O-N 3.3Å
620A74.1Confident74.5Confident49 Ų49105 Ų10541%0.40551%0.512SS..Hα-helixtrans-56.7-36176.100000112.4K616 L617 R624K616-A620 PolarHBondContact O-N 3.31Å; K616-A620 VanDerWaalsContact O-N 3.09Å; L617-A620 PolarHBondContact O-N 2.79Å; A620-R624 WeakPolarHBondContact O-CB 3.34Å; A620-R624 PolarHBondContact O-N 3.05Å
621S70.9Confident74.6Confident62 Ų62105.4 Ų105.443%0.43451%0.514SS..Hα-helixtrans-64.6-36174.1-170.90000112.7L617 R619 R624 E625L617-S621 VanDerWaalsContact O-CB 3.22Å; L617-S621 WeakPolarHBondContact O-CB 3.1Å; L617-S621 PolarHBondContact O-N 3.07Å; R619-S621 PolarHBondContact O-N 2.88Å; S621-R624 PolarHBondContact O-N 3.49Å; S621-E625 WeakPolarHBondContact O-CG 3.09Å; S621-E625 PolarHBondContact O-N 2.67Å
622R77.6Confident74.9Confident164 Ų164108 Ų10862%0.61953%0.525SS*.Hα-helixtrans-74.5-42.6177.3-72.2173.6175.6-158.8-4.7111.6L618 R619 R624 E625 D626L618-R622 WeakPolarHBondContact O-CD 3.21Å; L618-R622 WeakPolarHBondContact O-CG 3.18Å; R619-R622 WeakPolarHBondContact O-CA 3.03Å; R619-R622 WeakPolarHBondContact O-CB 3.36Å; R619-R622 PolarHBondContact O-N 2.64Å; R622-R624 PolarHBondContact O-N 2.96Å; R622-E625 WeakPolarHBondContact O-CB 3.13Å; R622-E625 PolarHBondContact O-N 3.14Å; R622-E625 VanDerWaalsContact O-N 3.13Å; R622-D626 PolarHBondContact O-N 2.9Å
623E77.2Confident74.9Confident123 Ų123110.5 Ų110.558%0.57553%0.534SS*.Hα-helixtrans-55.8-40172.4-69.3157.2-171.300110.2R619 D626 E627R619-E623 PolarHBondContact O-N 3.3Å; E623-D626 PolarHBondContact O-N 2.81Å; E623-E627 WeakPolarHBondContact O-CG 3.34Å; E623-E627 PolarHBondContact O-N 3.02Å
624R74.7Confident75Confident181 Ų181112.5 Ų112.568%0.68354%0.541SS*.Hα-helixtrans-76.8-30.3175.7-146.4172-160.379.2-5114.4A620 S621 R622 C628A620-R624 WeakPolarHBondContact O-CB 3.34Å; A620-R624 PolarHBondContact O-N 3.05Å; S621-R624 PolarHBondContact O-N 3.49Å; R622-R624 PolarHBondContact O-N 2.96Å; R624-C628 VanDerWaalsContact O-CB 3.24Å; R624-C628 WeakPolarHBondContact O-CB 3.12Å; R624-C628 PolarHBondContact O-N 2.96Å
625E73.7Confident74.8Confident114 Ų114109.7 Ų109.753%0.53354%0.536SS..Hα-helixtrans-64-43.3168.1-79.1174.9132.300110.8S621 R622 C628 N629S621-E625 WeakPolarHBondContact O-CG 3.09Å; S621-E625 PolarHBondContact O-N 2.67Å; R622-E625 WeakPolarHBondContact O-CB 3.13Å; R622-E625 PolarHBondContact O-N 3.14Å; R622-E625 VanDerWaalsContact O-N 3.13Å; E625-C628 WeakPolarHBondContact O-CB 3.29Å; E625-C628 PolarHBondContact O-N 3.48Å; E625-N629 WeakPolarHBondContact O-CB 3.47Å; E625-N629 VanDerWaalsContact O-CG 3.25Å; E625-N629 PolarHBondContact O-N 3.24Å; E625-N629 PolarHBondContact O-ND2 2.95Å
626D77.2Confident74.8Confident104 Ų104108.6 Ų108.656%0.55653%0.533SS*.Hα-helixtrans-66.6-41.9177.6-73.3-30.6000112R622 E623 C628 N629 V630R622-D626 PolarHBondContact O-N 2.9Å; E623-D626 PolarHBondContact O-N 2.81Å; D626-C628 VanDerWaalsContact C-N 3.35Å; D626-C628 PolarHBondContact O-N 2.8Å; D626-N629 PolarHBondContact O-N 2.82Å; D626-V630 WeakPolarHBondContact O-CG2 3.41Å; D626-V630 PolarHBondContact O-N 3.45Å; D626-V630 VanDerWaalsContact O-N 3.07Å
627E75.3Confident74.7Confident117 Ų117104.4 Ų104.455%0.54753%0.525SS..Hα-helixtrans-58.7-44.5169.3-75.6-178.1150.600112E623 N629 V630 L631E623-E627 WeakPolarHBondContact O-CG 3.34Å; E623-E627 PolarHBondContact O-N 3.02Å; E627-N629 PolarHBondContact O-N 2.86Å; E627-V630 PolarHBondContact O-N 3.46Å; E627-L631 WeakPolarHBondContact O-CG 3.46Å; E627-L631 PolarHBondContact O-N 2.84Å
628C70.1Confident74.7Confident79 Ų79104 Ų10453%0.53452%0.522SS..Hα-helixtrans-63.5-41178.3-166.50000111.8R624 E625 D626 V630 L631 Q632R624-C628 VanDerWaalsContact O-CB 3.24Å; R624-C628 WeakPolarHBondContact O-CB 3.12Å; R624-C628 PolarHBondContact O-N 2.96Å; E625-C628 WeakPolarHBondContact O-CB 3.29Å; E625-C628 PolarHBondContact O-N 3.48Å; D626-C628 VanDerWaalsContact C-N 3.35Å; D626-C628 PolarHBondContact O-N 2.8Å; C628-V630 VanDerWaalsContact C-N 3.33Å; C628-V630 PolarHBondContact O-N 2.81Å; C628-L631 PolarHBondContact O-N 2.81Å; C628-Q632 WeakPolarHBondContact O-CB 3.48Å; C628-Q632 PolarHBondContact O-N 3.4Å
629N76.6Confident74.9Confident90 Ų90106.6 Ų106.648%0.48153%0.525SS..Hα-helixtrans-60.4-40.3173.8-74-42.3000112.1E625 D626 E627 Q632 Q633E625-N629 WeakPolarHBondContact O-CB 3.47Å; E625-N629 VanDerWaalsContact O-CG 3.25Å; E625-N629 PolarHBondContact O-N 3.24Å; E625-N629 PolarHBondContact O-ND2 2.95Å; D626-N629 PolarHBondContact O-N 2.82Å; E627-N629 PolarHBondContact O-N 2.86Å; N629-Q632 PolarHBondContact O-N 3.45Å; N629-Q633 WeakPolarHBondContact O-CG 3.25Å; N629-Q633 PolarHBondContact O-N 3.09Å; N629-Q633 VanDerWaalsContact O-N 3.09Å
630V78.5Confident74.8Confident77 Ų77103.3 Ų103.347%0.46752%0.522SS..Hα-helixtrans-68.8-38.3176.1171.20000111.9D626 E627 C628 K634D626-V630 WeakPolarHBondContact O-CG2 3.41Å; D626-V630 PolarHBondContact O-N 3.45Å; D626-V630 VanDerWaalsContact O-N 3.07Å; E627-V630 PolarHBondContact O-N 3.46Å; C628-V630 VanDerWaalsContact C-N 3.33Å; C628-V630 PolarHBondContact O-N 2.81Å; V630-K634 PolarHBondContact O-N 3.4Å
631L74.4Confident74.9Confident111 Ų111105.8 Ų105.858%0.58153%0.525SS*.Hα-helixtrans-67.6-39.7174.7-70.5171.9000112E627 C628 K634 S635E627-L631 WeakPolarHBondContact O-CG 3.46Å; E627-L631 PolarHBondContact O-N 2.84Å; C628-L631 PolarHBondContact O-N 2.81Å; L631-K634 PolarHBondContact O-N 2.92Å; L631-S635 PolarHBondContact O-N 3.36Å
632Q75.1Confident75Confident93 Ų93107.9 Ų107.944%0.43553%0.53SS..Hα-helixtrans-61.2-45.5175.3-177.458.538.700111.5C628 N629 K634 S635 D636C628-Q632 WeakPolarHBondContact O-CB 3.48Å; C628-Q632 PolarHBondContact O-N 3.4Å; N629-Q632 PolarHBondContact O-N 3.45Å; Q632-K634 VanDerWaalsContact C-N 3.29Å; Q632-K634 PolarHBondContact O-N 3.46Å; Q632-S635 WeakPolarHBondContact O-CB 3.34Å; Q632-S635 PolarHBondContact O-N 3.05Å; Q632-S635 VanDerWaalsContact O-N 3.11Å; Q632-D636 PolarHBondContact NE2-OD1 2.72Å; Q632-D636 VanDerWaalsContact NE2-OD1 3.09Å; Q632-D636 PolarHBondContact NE2-OD2 2.92Å; Q632-D636 PolarHBondContact O-N 3.4Å
633Q76.6Confident74.8Confident145 Ų145105.1 Ų105.168%0.67853%0.527SS*.Hα-helixtrans-59.2-37.2175.7-73.2177.617.800112.9N629 A637N629-Q633 WeakPolarHBondContact O-CG 3.25Å; N629-Q633 PolarHBondContact O-N 3.09Å; N629-Q633 VanDerWaalsContact O-N 3.09Å; Q633-A637 WeakPolarHBondContact O-CB 3.2Å; Q633-A637 PolarHBondContact O-N 2.69Å; Q633-A637 VanDerWaalsContact O-N 3.16Å
634K76.7Confident74.8Confident141 Ų141104.6 Ų104.661%0.61352%0.523SS*.Hα-helixtrans-67.3-43.1173.3-70.7176.8180178.40112V630 L631 Q632 D636 A637 M638V630-K634 PolarHBondContact O-N 3.4Å; L631-K634 PolarHBondContact O-N 2.92Å; Q632-K634 VanDerWaalsContact C-N 3.29Å; Q632-K634 PolarHBondContact O-N 3.46Å; K634-D636 PolarHBondContact O-N 2.82Å; K634-A637 PolarHBondContact O-N 3.15Å; K634-M638 PolarHBondContact O-N 2.65Å
635S68.6Low74.5Confident50 Ų50101 Ų10135%0.3552%0.516SS..Hα-helixtrans-59.8-44.9178.3-1700000112.1L631 Q632 M638 R639L631-S635 PolarHBondContact O-N 3.36Å; Q632-S635 WeakPolarHBondContact O-CB 3.34Å; Q632-S635 PolarHBondContact O-N 3.05Å; Q632-S635 VanDerWaalsContact O-N 3.11Å; S635-M638 PolarHBondContact O-N 2.86Å; S635-R639 PolarHBondContact O-N 2.88Å
636D75.2Confident74.5Confident73 Ų7399.9 Ų99.939%0.3951%0.51SS..Hα-helixtrans-70.3-35.1179.2-68.7-32.2000112.5Q632 K634 R639 V640Q632-D636 PolarHBondContact NE2-OD1 2.72Å; Q632-D636 VanDerWaalsContact NE2-OD1 3.09Å; Q632-D636 PolarHBondContact NE2-OD2 2.92Å; Q632-D636 PolarHBondContact O-N 3.4Å; K634-D636 PolarHBondContact O-N 2.82Å; D636-R639 PolarHBondContact O-N 2.8Å; D636-V640 WeakPolarHBondContact O-CG2 3.22Å; D636-V640 PolarHBondContact O-N 2.56Å
637A76.2Confident74.6Confident60 Ų60102.4 Ų102.450%0.49652%0.516SS..Hα-helixtrans-62-42.6170.300000111.9Q633 K634 R639 V640 E641Q633-A637 WeakPolarHBondContact O-CB 3.2Å; Q633-A637 PolarHBondContact O-N 2.69Å; Q633-A637 VanDerWaalsContact O-N 3.16Å; K634-A637 PolarHBondContact O-N 3.15Å; A637-R639 PolarHBondContact O-N 3.36Å; A637-V640 PolarHBondContact O-N 2.84Å; A637-E641 PolarHBondContact O-N 3.03Å
638M71.2Confident74.6Confident107 Ų107102.5 Ų102.553%0.52752%0.52SS..Hα-helixtrans-66.3-36.3178.8-132.4168.782.900112.4K634 S635 V640 E641 L642 L761K634-M638 PolarHBondContact O-N 2.65Å; S635-M638 PolarHBondContact O-N 2.86Å; M638-V640 VanDerWaalsContact C-N 3.29Å; M638-V640 PolarHBondContact O-N 2.89Å; M638-E641 PolarHBondContact O-N 2.61Å; M638-L642 PolarHBondContact O-N 2.9Å; M638-L642 VanDerWaalsContact O-N 3.13Å; M638-L761 HydrophobicContact CE-CD1 4.36Å
639R75.3Confident74.8Confident149 Ų149104.1 Ų104.156%0.56252%0.518SS*.Hα-helixtrans-58.6-36.9171.3-83.7-171.9164100.23.6113.1S635 D636 A637 L643S635-R639 PolarHBondContact O-N 2.88Å; D636-R639 PolarHBondContact O-N 2.8Å; A637-R639 PolarHBondContact O-N 3.36Å; R639-L643 WeakPolarHBondContact O-CG 3.37Å; R639-L643 PolarHBondContact O-N 3.29Å; R639-L643 VanDerWaalsContact O-N 3.16Å
640V76.8Confident74.7Confident81 Ų81106.5 Ų106.549%0.49152%0.52SS..Hα-helixtrans-69.2-36.7-179.5172.10000112D636 A637 M638 K644D636-V640 WeakPolarHBondContact O-CG2 3.22Å; D636-V640 PolarHBondContact O-N 2.56Å; A637-V640 PolarHBondContact O-N 2.84Å; M638-V640 VanDerWaalsContact C-N 3.29Å; M638-V640 PolarHBondContact O-N 2.89Å; V640-K644 PolarHBondContact O-N 3.49Å
641E76.2Confident74.6Confident100 Ų100106.2 Ų106.247%0.46752%0.522SS..Hα-helixtrans-72.1-40.8174.7-62.2-50.7133.800112.5A637 M638 L643 K644 M645A637-E641 PolarHBondContact O-N 3.03Å; M638-E641 PolarHBondContact O-N 2.61Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 PolarHBondContact O-N 3.31Å; E641-K644 WeakPolarHBondContact O-CB 3.28Å; E641-K644 PolarHBondContact O-N 2.84Å; E641-K644 IonicContact OE1-NZ 2.75Å; E641-K644 PolarHBondContact OE1-NZ 2.82Å; E641-K644 WeakPolarHBondContact OE2-CD 3.5Å; E641-K644 IonicContact OE2-NZ 2.68Å; E641-K644 PolarHBondContact OE2-NZ 2.74Å; E641-M645 PolarHBondContact O-N 3.38Å
642L71.4Confident74.6Confident106 Ų106104.3 Ų104.356%0.55551%0.511SS*.Hα-helixtrans-55.7-42.2173.9-79.5166.6000112.2M638 K644 M645 E646M638-L642 PolarHBondContact O-N 2.9Å; M638-L642 VanDerWaalsContact O-N 3.13Å; L642-K644 VanDerWaalsContact C-N 3.26Å; L642-K644 PolarHBondContact O-N 3.48Å; L642-M645 PolarHBondContact O-N 2.91Å; L642-E646 PolarHBondContact O-N 3.49Å
643L74.7Confident74.5Confident106 Ų106103.4 Ų103.456%0.55551%0.507SS*.Hα-helixtrans-67.6-20.2176.8-73.8169.5000114.3R639 E641R639-L643 WeakPolarHBondContact O-CG 3.37Å; R639-L643 PolarHBondContact O-N 3.29Å; R639-L643 VanDerWaalsContact O-N 3.16Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 PolarHBondContact O-N 3.31Å
644K76.4Confident74.5Confident113 Ų113102.7 Ų102.749%0.49150%0.502SS..Hα-helixtrans-80-44.3169.7-67.2164.4177.6172.20110.9V640 E641 L642 E646 K647 L648V640-K644 PolarHBondContact O-N 3.49Å; E641-K644 WeakPolarHBondContact O-CB 3.28Å; E641-K644 PolarHBondContact O-N 2.84Å; E641-K644 IonicContact OE1-NZ 2.75Å; E641-K644 PolarHBondContact OE1-NZ 2.82Å; E641-K644 WeakPolarHBondContact OE2-CD 3.5Å; E641-K644 IonicContact OE2-NZ 2.68Å; E641-K644 PolarHBondContact OE2-NZ 2.74Å; L642-K644 VanDerWaalsContact C-N 3.26Å; L642-K644 PolarHBondContact O-N 3.48Å; K644-E646 PolarHBondContact O-N 3.07Å; K644-K647 PolarHBondContact O-N 3.37Å; K644-K647 VanDerWaalsContact O-N 3.16Å; K644-L648 PolarHBondContact O-N 2.78Å; K644-L648 VanDerWaalsContact O-N 3.08Å
645M69.3Low74.4Confident106 Ų106102 Ų10252%0.52250%0.499SS..Hα-helixtrans-59-44.6177.7-71.7-71.1-8000111.7E641 L642 K647 L648 K649E641-M645 PolarHBondContact O-N 3.38Å; L642-M645 PolarHBondContact O-N 2.91Å; M645-K647 VanDerWaalsContact C-N 3.32Å; M645-K647 PolarHBondContact O-N 3.32Å; M645-L648 PolarHBondContact O-N 3.08Å; M645-K649 PolarHBondContact O-N 3.1Å
646E73.3Confident74.7Confident89 Ų89101 Ų10142%0.41649%0.49SS..Hα-helixtrans-57.9-40.9174.3-77.9-154.2159.500113.4L642 K644 L648 K649 R650L642-E646 PolarHBondContact O-N 3.49Å; K644-E646 PolarHBondContact O-N 3.07Å; E646-L648 VanDerWaalsContact C-N 3.33Å; E646-K649 PolarHBondContact O-N 3.36Å; E646-R650 WeakPolarHBondContact O-CG 3.45Å; E646-R650 PolarHBondContact O-N 2.89Å; E646-R650 IonicContact OE1-NH2 2.72Å; E646-R650 IonicContact OE2-CZ 2.67Å; E646-R650 VanDerWaalsContact OE2-CZ 3.23Å; E646-R650 IonicContact OE2-NH1 2.79Å; E646-R650 PolarHBondContact OE2-NH1 3.35Å; E646-R650 IonicContact OE2-NH2 3.85Å; E646-R650 PolarHBondContact OE2-NH2 2.83Å
647K78.6Confident74.7Confident157 Ų157103.9 Ų103.968%0.68350%0.501SS*.Hα-helixtrans-66.2-38.1178.3-78.4-179.5175.9-179.60111.6K644 M645 S651K644-K647 PolarHBondContact O-N 3.37Å; K644-K647 VanDerWaalsContact O-N 3.16Å; M645-K647 VanDerWaalsContact C-N 3.32Å; M645-K647 PolarHBondContact O-N 3.32Å; K647-S651 PolarHBondContact O-N 3.46Å
648L75.4Confident74.8Confident119 Ų119106.7 Ų106.762%0.62350%0.504SS*.Hα-helixtrans-65.4-45.2176.4-146.583.3000111K644 M645 E646 S651 L652K644-L648 PolarHBondContact O-N 2.78Å; K644-L648 VanDerWaalsContact O-N 3.08Å; M645-L648 PolarHBondContact O-N 3.08Å; E646-L648 VanDerWaalsContact C-N 3.33Å; L648-S651 PolarHBondContact O-N 2.79Å; L648-L652 PolarHBondContact O-N 2.67Å
649K73.8Confident74.7Confident114 Ų114103.7 Ų103.750%0.49649%0.493SS..Hα-helixtrans-56.1-53.7175.9175.4169.2173.6169.50112M645 E646 S651 L652 E653M645-K649 PolarHBondContact O-N 3.1Å; E646-K649 PolarHBondContact O-N 3.36Å; K649-S651 PolarHBondContact O-N 3.36Å; K649-L652 PolarHBondContact O-N 2.95Å; K649-E653 WeakPolarHBondContact CE-OE1 3.4Å; K649-E653 HydrophobicContact CG-CG 4.33Å; K649-E653 IonicContact NZ-OE1 3.72Å; K649-E653 WeakPolarHBondContact O-CG 3.41Å; K649-E653 PolarHBondContact O-N 3.19Å
650R75.9Confident74.6Confident140 Ų140100.5 Ų100.553%0.52849%0.485SS..Hα-helixtrans-58.6-32.2178.6-69.3179.2-173.4117.69.7113.2E646 L652 E653 F654E646-R650 WeakPolarHBondContact O-CG 3.45Å; E646-R650 PolarHBondContact O-N 2.89Å; E646-R650 IonicContact OE1-NH2 2.72Å; E646-R650 IonicContact OE2-CZ 2.67Å; E646-R650 VanDerWaalsContact OE2-CZ 3.23Å; E646-R650 IonicContact OE2-NH1 2.79Å; E646-R650 PolarHBondContact OE2-NH1 3.35Å; E646-R650 IonicContact OE2-NH2 3.85Å; E646-R650 PolarHBondContact OE2-NH2 2.83Å; R650-L652 VanDerWaalsContact C-N 3.31Å; R650-L652 PolarHBondContact O-N 2.85Å; R650-E653 WeakPolarHBondContact CA-OE2 3.13Å; R650-F654 PolarHBondContact O-N 2.88Å
651S75.9Confident74.5Confident71 Ų7199.1 Ų99.150%0.49748%0.482SS..Hα-helixtrans-74.8-16.2176.5-171.30000114.4K647 L648 K649K647-S651 PolarHBondContact O-N 3.46Å; L648-S651 PolarHBondContact O-N 2.79Å; K649-S651 PolarHBondContact O-N 3.36Å
652L73.8Confident74.4Confident70 Ų7099 Ų9937%0.36648%0.481SS..Hα-helixtrans-92.1-39.6172.5-67.2171.4000111L648 K649 R650 F654 K655 L656 L750L648-L652 PolarHBondContact O-N 2.67Å; K649-L652 PolarHBondContact O-N 2.95Å; R650-L652 VanDerWaalsContact C-N 3.31Å; R650-L652 PolarHBondContact O-N 2.85Å; L652-F654 VanDerWaalsContact C-N 3.35Å; L652-F654 PolarHBondContact O-N 2.67Å; L652-K655 PolarHBondContact O-N 2.78Å; L652-L656 PolarHBondContact O-N 3.27Å; L652-L750 HydrophobicContact CD1-CD1 4.24Å
653E73.8Confident74.4Confident74 Ų7495.3 Ų95.335%0.34646%0.464SS..Hα-helixtrans-55.5-47.4174.4-69.5168.6151.700111.4K649 R650 K655 L656 E657K649-E653 WeakPolarHBondContact CE-OE1 3.4Å; K649-E653 HydrophobicContact CG-CG 4.33Å; K649-E653 IonicContact NZ-OE1 3.72Å; K649-E653 WeakPolarHBondContact O-CG 3.41Å; K649-E653 PolarHBondContact O-N 3.19Å; R650-E653 WeakPolarHBondContact CA-OE2 3.13Å; E653-K655 PolarHBondContact O-N 2.98Å; E653-L656 WeakPolarHBondContact O-CB 3.49Å; E653-L656 PolarHBondContact O-N 2.74Å; E653-L656 VanDerWaalsContact O-N 3.11Å; E653-E657 PolarHBondContact O-N 3.43Å; E653-E657 VanDerWaalsContact O-N 3.12Å
654F75.5Confident74.3Confident131 Ų13192.9 Ų92.958%0.57546%0.456SS*.Hα-helixtrans-57.7-41.6177.9-177.9-94.9000113.7R650 L652 L656 E657 E658R650-F654 PolarHBondContact O-N 2.88Å; L652-F654 VanDerWaalsContact C-N 3.35Å; L652-F654 PolarHBondContact O-N 2.67Å; F654-L656 VanDerWaalsContact C-N 3.32Å; F654-L656 PolarHBondContact O-N 3.17Å; F654-E657 PolarHBondContact O-N 3.37Å; F654-E658 PolarHBondContact O-N 2.68Å; F654-E658 VanDerWaalsContact O-N 3.13Å
655K76.1Confident74.2Confident126 Ų12693.9 Ų93.955%0.54846%0.457SS..Hα-helixtrans-67-34.9177.8-70.1-174.5174.6-169.60112.3L652 E653 E657 E658 S659L652-K655 PolarHBondContact O-N 2.78Å; E653-K655 PolarHBondContact O-N 2.98Å; K655-E657 VanDerWaalsContact C-N 3.35Å; K655-E658 PolarHBondContact O-N 3.24Å; K655-S659 PolarHBondContact O-N 2.83Å; K655-S659 PolarHBondContact O-OG 3.1Å
656L73.7Confident74.3Confident29 Ų2991.1 Ų91.115%0.15244%0.442CS..Hα-helixtrans-68.8-34.7178.2-178.361.3000111.6L652 E653 F654 Q660 L747L652-L656 PolarHBondContact O-N 3.27Å; E653-L656 WeakPolarHBondContact O-CB 3.49Å; E653-L656 PolarHBondContact O-N 2.74Å; E653-L656 VanDerWaalsContact O-N 3.11Å; F654-L656 VanDerWaalsContact C-N 3.32Å; F654-L656 PolarHBondContact O-N 3.17Å; L656-Q660 WeakPolarHBondContact O-CB 3.22Å; L656-Q660 WeakPolarHBondContact O-CG 3.2Å; L656-Q660 PolarHBondContact O-N 3.4Å; L656-L747 HydrophobicContact CD2-CD2 4.04Å
657E75.6Confident74.3Confident134 Ų13493.7 Ų93.763%0.62645%0.448SS*.Hα-helixtrans-66.9-42.2171.3-66.8-174.3149.200112.1E653 F654 K655 Q660 A661E653-E657 PolarHBondContact O-N 3.43Å; E653-E657 VanDerWaalsContact O-N 3.12Å; F654-E657 PolarHBondContact O-N 3.37Å; K655-E657 VanDerWaalsContact C-N 3.35Å; E657-Q660 PolarHBondContact O-N 3.13Å; E657-A661 PolarHBondContact O-N 3.15Å
658E77.6Confident74.2Confident119 Ų11994.1 Ų94.156%0.55645%0.446SS*.Hα-helixtrans-59.6-50.2179.8-171.2167-145.500112.1F654 K655 Q660 A661 E662F654-E658 PolarHBondContact O-N 2.68Å; F654-E658 VanDerWaalsContact O-N 3.13Å; K655-E658 PolarHBondContact O-N 3.24Å; E658-Q660 PolarHBondContact O-N 3.1Å; E658-A661 WeakPolarHBondContact O-CB 3.36Å; E658-A661 PolarHBondContact O-N 2.85Å; E658-E662 PolarHBondContact O-N 3.31Å; E658-E662 VanDerWaalsContact O-N 3.15Å
659S70.1Confident74.1Confident43 Ų4394 Ų9430%0.30145%0.445SS..Hα-helixtrans-66.2-32.8175.6-57.90000113.4K655 A661 E662 C663K655-S659 PolarHBondContact O-N 2.83Å; K655-S659 PolarHBondContact O-OG 3.1Å; S659-A661 VanDerWaalsContact C-N 3.35Å; S659-E662 PolarHBondContact O-N 2.79Å; S659-C663 PolarHBondContact O-N 3.44Å; S659-C663 VanDerWaalsContact O-N 3.09Å
660Q71.9Confident73.8Confident82 Ų8290.5 Ų90.538%0.38343%0.429SS..Hα-helixtrans-67.5-35.4174-77.4179.342.600112.2L656 E657 E658 E662 S664L656-Q660 WeakPolarHBondContact O-CB 3.22Å; L656-Q660 WeakPolarHBondContact O-CG 3.2Å; L656-Q660 PolarHBondContact O-N 3.4Å; E657-Q660 PolarHBondContact O-N 3.13Å; E658-Q660 PolarHBondContact O-N 3.1Å; Q660-E662 VanDerWaalsContact C-N 3.34Å; Q660-S664 VanDerWaalsContact O-CB 3.31Å; Q660-S664 WeakPolarHBondContact O-CB 3.44Å; Q660-S664 PolarHBondContact O-N 3.29Å; Q660-S664 PolarHBondContact O-OG 2.9Å
661A75.1Confident73.7Confident52 Ų5288.6 Ų88.643%0.4343%0.426SS..Hα-helixtrans-68.1-31.8173.800000112.5E657 E658 S659 R665E657-A661 PolarHBondContact O-N 3.15Å; E658-A661 WeakPolarHBondContact O-CB 3.36Å; E658-A661 PolarHBondContact O-N 2.85Å; S659-A661 VanDerWaalsContact C-N 3.35Å; A661-R665 WeakPolarHBondContact O-CG 3.22Å; A661-R665 PolarHBondContact O-N 2.99Å; A661-R665 PolarHBondContact O-NE 3.37Å
662E74.7Confident73.7Confident98 Ų9889.9 Ų89.946%0.45843%0.427SS..Hα-helixtrans-67.3-54.2172.8-166.5115.8-106.600112.1E658 S659 Q660 S664 R665 E666E658-E662 PolarHBondContact O-N 3.31Å; E658-E662 VanDerWaalsContact O-N 3.15Å; S659-E662 PolarHBondContact O-N 2.79Å; Q660-E662 VanDerWaalsContact C-N 3.34Å; E662-S664 PolarHBondContact O-N 3.33Å; E662-S664 VanDerWaalsContact O-N 3.16Å; E662-R665 WeakPolarHBondContact O-CA 3.25Å; E662-R665 WeakPolarHBondContact O-CB 3.34Å; E662-R665 PolarHBondContact O-N 2.91Å; E662-R665 IonicContact OE1-CZ 3.86Å; E662-R665 IonicContact OE1-NH1 2.71Å; E662-R665 PolarHBondContact OE1-NH1 3.13Å; E662-R665 IonicContact OE1-NH2 2.58Å; E662-R665 PolarHBondContact OE1-NH2 3.43Å; E662-R665 IonicContact OE2-NH2 2.64Å; E662-E666 PolarHBondContact O-N 3.03Å; E662-E666 VanDerWaalsContact O-N 3.12Å
663C71.8Confident73.6Confident28 Ų2889.7 Ų89.719%0.18943%0.429CS..Hα-helixtrans-58.4-31.2176.3-177.80000112.4S659 R667S659-C663 PolarHBondContact O-N 3.44Å; S659-C663 VanDerWaalsContact O-N 3.09Å; C663-R667 PolarHBondContact O-N 3.04Å
664S72.4Confident73.4Confident56 Ų5691.4 Ų91.439%0.39244%0.437SS..Hα-helixtrans-71.8-27.7174-60.40000113.7Q660 E662Q660-S664 VanDerWaalsContact O-CB 3.31Å; Q660-S664 WeakPolarHBondContact O-CB 3.44Å; Q660-S664 PolarHBondContact O-N 3.29Å; Q660-S664 PolarHBondContact O-OG 2.9Å; E662-S664 PolarHBondContact O-N 3.33Å; E662-S664 VanDerWaalsContact O-N 3.16Å
665R73.7Confident73.3Confident134 Ų13488 Ų8851%0.50643%0.433SS..Hα-helixtrans-73.4-46.2173-78.1179.6-79.4123.9-9.4111.2A661 E662 R667 R668 L669A661-R665 WeakPolarHBondContact O-CG 3.22Å; A661-R665 PolarHBondContact O-N 2.99Å; A661-R665 PolarHBondContact O-NE 3.37Å; E662-R665 WeakPolarHBondContact O-CA 3.25Å; E662-R665 WeakPolarHBondContact O-CB 3.34Å; E662-R665 PolarHBondContact O-N 2.91Å; E662-R665 IonicContact OE1-CZ 3.86Å; E662-R665 IonicContact OE1-NH1 2.71Å; E662-R665 PolarHBondContact OE1-NH1 3.13Å; E662-R665 IonicContact OE1-NH2 2.58Å; E662-R665 PolarHBondContact OE1-NH2 3.43Å; E662-R665 IonicContact OE2-NH2 2.64Å; R665-R667 VanDerWaalsContact C-N 3.29Å; R665-R667 PolarHBondContact O-N 3.29Å; R665-R668 PolarHBondContact O-N 2.74Å; R665-L669 PolarHBondContact O-N 3.13Å
666E71.1Confident73.1Confident47 Ų4787 Ų8722%0.2243%0.434CS..Hα-helixtrans-60.5-38177.2-67.6-167.1132.100112.8E662 R668 L669 R670E662-E666 PolarHBondContact O-N 3.03Å; E662-E666 VanDerWaalsContact O-N 3.12Å; E666-R668 PolarHBondContact O-N 3.17Å; E666-L669 PolarHBondContact O-N 3.44Å; E666-R670 PolarHBondContact O-N 2.99Å; E666-R670 VanDerWaalsContact O-N 3.14Å
667R73.2Confident72.7Confident144 Ų14491 Ų9154%0.54345%0.451SS..Hα-helixtrans-61.2-44.7178-166.2-175.2-56.8174.95112.5C663 R665 L669 R670 E671C663-R667 PolarHBondContact O-N 3.04Å; R665-R667 VanDerWaalsContact C-N 3.29Å; R665-R667 PolarHBondContact O-N 3.29Å; R667-L669 VanDerWaalsContact C-N 3.31Å; R667-L669 PolarHBondContact O-N 2.94Å; R667-R670 WeakPolarHBondContact O-CB 3.4Å; R667-R670 PolarHBondContact O-N 2.67Å; R667-R670 VanDerWaalsContact O-N 3.11Å; R667-E671 WeakPolarHBondContact CD-OE1 3.4Å; R667-E671 HydrophobicContact CG-CG 4.5Å; R667-E671 WeakPolarHBondContact CG-OE1 3.44Å; R667-E671 WeakPolarHBondContact O-CG 3.24Å; R667-E671 PolarHBondContact O-N 3.29Å
668R76.6Confident72.6Confident165 Ų16588.1 Ų88.162%0.62344%0.443SS*.Hα-helixtrans-62.7-39.6177.4-67.3178.8-169.9172.14.6111.9R665 E666 R670 E671 D672R665-R668 PolarHBondContact O-N 2.74Å; E666-R668 PolarHBondContact O-N 3.17Å; R668-R670 PolarHBondContact O-N 2.99Å; R668-E671 PolarHBondContact O-N 3.49Å; R668-E671 VanDerWaalsContact O-N 3.16Å; R668-D672 WeakPolarHBondContact O-CB 3.32Å; R668-D672 PolarHBondContact O-N 2.96Å
669L74Confident72.4Confident116 Ų11684.8 Ų84.861%0.60744%0.436SS*.Hα-helixtrans-62.8-30.1175.7-68.7170.3000112.7R665 E666 R667 V673R665-L669 PolarHBondContact O-N 3.13Å; E666-L669 PolarHBondContact O-N 3.44Å; R667-L669 VanDerWaalsContact C-N 3.31Å; R667-L669 PolarHBondContact O-N 2.94Å; L669-V673 VanDerWaalsContact O-CG2 3.22Å; L669-V673 WeakPolarHBondContact O-CG2 3.48Å; L669-V673 PolarHBondContact O-N 2.98Å
670R67.8Low72.3Confident41 Ų4187.8 Ų87.816%0.15545%0.448CS..Hα-helixtrans-70.8-50.4168.5-68.2174.2167.4-96-2.9112E666 R667 R668 D672 V673 E674 I729 E730E666-R670 PolarHBondContact O-N 2.99Å; E666-R670 VanDerWaalsContact O-N 3.14Å; R667-R670 WeakPolarHBondContact O-CB 3.4Å; R667-R670 PolarHBondContact O-N 2.67Å; R667-R670 VanDerWaalsContact O-N 3.11Å; R668-R670 PolarHBondContact O-N 2.99Å; R670-D672 VanDerWaalsContact C-N 3.26Å; R670-D672 PolarHBondContact O-N 2.83Å; R670-V673 PolarHBondContact O-N 3.28Å; R670-E674 WeakPolarHBondContact O-CB 3.29Å; R670-E674 WeakPolarHBondContact O-CG 3.36Å; R670-E674 PolarHBondContact O-N 2.83Å; R670-I729 HydrophobicContact CG-CG2 4.43Å; R670-I729 PolarHBondContact NH2-O 2.88Å; R670-E730 IonicContact NH1-OE1 3.72Å
671E72.9Confident72Confident101 Ų10189.3 Ų89.347%0.47246%0.455SS..Hα-helixtrans-56.7-41.1-178.8-69.4163.1175.700111.1R667 R668 A675R667-E671 WeakPolarHBondContact CD-OE1 3.4Å; R667-E671 HydrophobicContact CG-CG 4.5Å; R667-E671 WeakPolarHBondContact CG-OE1 3.44Å; R667-E671 WeakPolarHBondContact O-CG 3.24Å; R667-E671 PolarHBondContact O-N 3.29Å; R668-E671 PolarHBondContact O-N 3.49Å; R668-E671 VanDerWaalsContact O-N 3.16Å; E671-A675 VanDerWaalsContact O-CB 3.23Å; E671-A675 WeakPolarHBondContact O-CB 3.26Å; E671-A675 PolarHBondContact O-N 2.95Å
672D76.2Confident71.8Confident98 Ų9892.2 Ų92.252%0.52446%0.462SS..Hα-helixtrans-65.6-41.7173.7-73.1-32.4000112.5R668 R670 N676R668-D672 WeakPolarHBondContact O-CB 3.32Å; R668-D672 PolarHBondContact O-N 2.96Å; R670-D672 VanDerWaalsContact C-N 3.26Å; R670-D672 PolarHBondContact O-N 2.83Å; D672-N676 PolarHBondContact O-N 3.3Å; D672-N676 PolarHBondContact O-ND2 2.9Å
673V71.2Confident71.4Confident66 Ų6693.9 Ų93.940%0.447%0.47SS..Hα-helixtrans-68.4-43.2178.21670000111.5L669 R670 N676 Q677L669-V673 VanDerWaalsContact O-CG2 3.22Å; L669-V673 WeakPolarHBondContact O-CG2 3.48Å; L669-V673 PolarHBondContact O-N 2.98Å; R670-V673 PolarHBondContact O-N 3.28Å; V673-N676 PolarHBondContact O-N 2.86Å; V673-Q677 PolarHBondContact O-N 2.88Å
674E70.8Confident70.9Confident109 Ų10996 Ų9651%0.50948%0.479SS..Hα-helixtrans-63.8-41.9175.8-71.6175.1-158.300111.3R670 N676 Q677 V678R670-E674 WeakPolarHBondContact O-CB 3.29Å; R670-E674 WeakPolarHBondContact O-CG 3.36Å; R670-E674 PolarHBondContact O-N 2.83Å; E674-N676 PolarHBondContact O-N 3.31Å; E674-Q677 PolarHBondContact O-N 2.84Å; E674-V678 WeakPolarHBondContact O-CG2 3.24Å; E674-V678 PolarHBondContact O-N 3.32Å
675A72.4Confident70.5Confident61 Ų6198.2 Ų98.250%0.50448%0.483SS..Hα-helixtrans-61.5-42.9175.100000112.5E671 V678 A679E671-A675 VanDerWaalsContact O-CB 3.23Å; E671-A675 WeakPolarHBondContact O-CB 3.26Å; E671-A675 PolarHBondContact O-N 2.95Å; A675-V678 PolarHBondContact O-N 2.79Å; A675-A679 PolarHBondContact O-N 3.1Å
676N72.6Confident69.8Low104 Ų10495.6 Ų95.656%0.55649%0.485SS*.Hα-helixtrans-64-39.6174.3-79.2-66.5000112D672 V673 E674 V678 A679 L680D672-N676 PolarHBondContact O-N 3.3Å; D672-N676 PolarHBondContact O-ND2 2.9Å; V673-N676 PolarHBondContact O-N 2.86Å; E674-N676 PolarHBondContact O-N 3.31Å; N676-V678 PolarHBondContact O-N 2.88Å; N676-A679 PolarHBondContact O-N 3.22Å; N676-L680 PolarHBondContact O-N 3.31Å
677Q66Low69.3Low112 Ų11298.8 Ų98.852%0.52351%0.508SS..Hα-helixtrans-63.5-39.3176.3-174.7176.2-7.700112.3V673 E674 Q681V673-Q677 PolarHBondContact O-N 2.88Å; E674-Q677 PolarHBondContact O-N 2.84Å; Q677-Q681 WeakPolarHBondContact O-CG 3.33Å; Q677-Q681 PolarHBondContact O-N 3.32Å; Q677-Q681 VanDerWaalsContact O-N 3.11Å
678V73.4Confident68.5Low74 Ų74100.8 Ų100.845%0.44852%0.515SS..Hα-helixtrans-68.9-39.5174.9172.90000111.6E674 A675 N676 L680 Q681 I682E674-V678 WeakPolarHBondContact O-CG2 3.24Å; E674-V678 PolarHBondContact O-N 3.32Å; A675-V678 PolarHBondContact O-N 2.79Å; N676-V678 PolarHBondContact O-N 2.88Å; V678-L680 PolarHBondContact O-N 3.3Å; V678-Q681 WeakPolarHBondContact O-CB 3.5Å; V678-Q681 PolarHBondContact O-N 2.96Å; V678-I682 HydrophobicContact CG1-CD1 4.02Å; V678-I682 WeakPolarHBondContact O-CG1 3.24Å; V678-I682 PolarHBondContact O-N 3.46Å
679A71.8Confident67.4Low49 Ų49100.5 Ų100.541%0.40552%0.518SS..Hα-helixtrans-59.6-46.3174.700000111.9A675 N676 Q681 I682 E683A675-A679 PolarHBondContact O-N 3.1Å; N676-A679 PolarHBondContact O-N 3.22Å; A679-Q681 VanDerWaalsContact C-N 3.31Å; A679-Q681 PolarHBondContact O-N 3.41Å; A679-I682 PolarHBondContact O-N 2.86Å; A679-I682 VanDerWaalsContact O-N 3.1Å; A679-E683 PolarHBondContact O-N 3.19Å
680L67.8Low65.8Low106 Ų10697.8 Ų97.856%0.55552%0.519SS*.Hα-helixtrans-60.9-34.6174.4-88.5152.1000113.2N676 V678 L684N676-L680 PolarHBondContact O-N 3.31Å; V678-L680 PolarHBondContact O-N 3.3Å; L680-L684 WeakPolarHBondContact O-CB 3.22Å; L680-L684 PolarHBondContact O-N 2.94Å; L680-L684 VanDerWaalsContact O-N 3.1Å
681Q66.7Low64.3Low115 Ų115105.8 Ų105.854%0.53756%0.555SS.*Hα-helixtrans-66.4-39.8172.1-76.9-177.1-16.200112.5Q677 V678 A679 L684 E685Q677-Q681 WeakPolarHBondContact O-CG 3.33Å; Q677-Q681 PolarHBondContact O-N 3.32Å; Q677-Q681 VanDerWaalsContact O-N 3.11Å; V678-Q681 WeakPolarHBondContact O-CB 3.5Å; V678-Q681 PolarHBondContact O-N 2.96Å; A679-Q681 VanDerWaalsContact C-N 3.31Å; A679-Q681 PolarHBondContact O-N 3.41Å; Q681-L684 PolarHBondContact O-N 3.36Å; Q681-E685 WeakPolarHBondContact O-CG 3.39Å; Q681-E685 PolarHBondContact O-N 2.91Å
682I69.9Low62.7Low112 Ų112105.8 Ų105.857%0.57457%0.572SS**Hα-helixtrans-68.2-39.6179-67.2166.7000111.1V678 A679 E685 S686V678-I682 HydrophobicContact CG1-CD1 4.02Å; V678-I682 WeakPolarHBondContact O-CG1 3.24Å; V678-I682 PolarHBondContact O-N 3.46Å; A679-I682 PolarHBondContact O-N 2.86Å; A679-I682 VanDerWaalsContact O-N 3.1Å; I682-E685 PolarHBondContact O-N 3.49Å; I682-S686 PolarHBondContact O-N 2.9Å
683E66.5Low61.2Low133 Ų133109.3 Ų109.362%0.62159%0.589SS**Hα-helixtrans-62.6-45172.3-71.3-164.7129.900111.7A679 E685 S686 V687A679-E683 PolarHBondContact O-N 3.19Å; E683-E685 VanDerWaalsContact C-N 3.33Å; E683-E685 PolarHBondContact O-N 2.91Å; E683-S686 WeakPolarHBondContact O-CB 3.5Å; E683-S686 PolarHBondContact O-N 3.11Å; E683-S686 PolarHBondContact O-OG 2.84Å; E683-V687 PolarHBondContact O-N 3.41Å; E683-V687 VanDerWaalsContact O-N 3.11Å
684L61.7Low59.6Low74 Ų74112.2 Ų112.239%0.38761%0.612SS.*Hα-helixtrans-59.4-38.8175-88.6164.2000113.4L680 Q681 S686 R688 L715L680-L684 WeakPolarHBondContact O-CB 3.22Å; L680-L684 PolarHBondContact O-N 2.94Å; L680-L684 VanDerWaalsContact O-N 3.1Å; Q681-L684 PolarHBondContact O-N 3.36Å; L684-S686 VanDerWaalsContact C-N 3.34Å; L684-R688 WeakPolarHBondContact O-CG 3.44Å; L684-R688 PolarHBondContact O-N 3.46Å; L684-L715 HydrophobicContact CD1-CD2 4.34Å
685E63.5Low57.8Low102 Ų102110.4 Ų110.448%0.47762%0.622SS.*Hα-helixtrans-63.8-36.7172.9-82.4-102.3148.900112.4Q681 I682 E683 R688 K689Q681-E685 WeakPolarHBondContact O-CG 3.39Å; Q681-E685 PolarHBondContact O-N 2.91Å; I682-E685 PolarHBondContact O-N 3.49Å; E683-E685 VanDerWaalsContact C-N 3.33Å; E683-E685 PolarHBondContact O-N 2.91Å; E685-R688 PolarHBondContact O-N 3.24Å; E685-K689 IonicContact OE2-NZ 2.81Å; E685-K689 PolarHBondContact OE2-NZ 3.42Å
686S60.2Low55.8Low78 Ų78115.6 Ų115.655%0.54564%0.642SS.*Hα-helixtrans-67.1-44.4178.281.90000111.9I682 E683 L684 R688 K689I682-S686 PolarHBondContact O-N 2.9Å; E683-S686 WeakPolarHBondContact O-CB 3.5Å; E683-S686 PolarHBondContact O-N 3.11Å; E683-S686 PolarHBondContact O-OG 2.84Å; L684-S686 VanDerWaalsContact C-N 3.34Å; S686-R688 VanDerWaalsContact C-N 3.29Å; S686-R688 PolarHBondContact O-N 2.84Å; S686-K689 PolarHBondContact O-N 3.47Å
687V59.4Low53.8Low115 Ų115114.2 Ų114.270%0.69765%0.652SS**Hα-helixtrans-62.8-37178175.50000111.2E683 K689E683-V687 PolarHBondContact O-N 3.41Å; E683-V687 VanDerWaalsContact O-N 3.11Å; V687-K689 PolarHBondContact O-N 2.98Å; V687-K689 VanDerWaalsContact O-N 3.16Å
688R57.3Low52.9Low186 Ų186113.7 Ų113.770%0.70266%0.659SS**THydrogen-bonded Turntrans-67.3-9.6-179.9-80.2176.7166.7-176.5-4.6115.4L684 E685 S686L684-R688 WeakPolarHBondContact O-CG 3.44Å; L684-R688 PolarHBondContact O-N 3.46Å; E685-R688 PolarHBondContact O-N 3.24Å; S686-R688 VanDerWaalsContact C-N 3.29Å; S686-R688 PolarHBondContact O-N 2.84Å
689K52.8Low51Low158 Ų158116.5 Ų116.569%0.68768%0.676SS**THydrogen-bonded Turntrans-115.32.2-172.9-71.9165.5-178.71600114.9E685 S686 V687E685-K689 IonicContact OE2-NZ 2.81Å; E685-K689 PolarHBondContact OE2-NZ 3.42Å; S686-K689 PolarHBondContact O-N 3.47Å; V687-K689 PolarHBondContact O-N 2.98Å; V687-K689 VanDerWaalsContact O-N 3.16Å
690G41.2Very low49.6Very low60 Ų60117 Ų11762%0.61968%0.677SS**  trans-91.8145-18000000115.5
691K36.6Very low48.6Very low209 Ų209117.5 Ų117.591%0.90969%0.686SS**  trans-142.1127.7169.9-109.8-176.6179.8177.90113
692A39.1Very low48Very low100 Ų100117.3 Ų117.383%0.82669%0.685SS**  trans67.5112.6159.600000120.4
693I43.7Very low47.1Very low173 Ų173116.2 Ų116.289%0.88768%0.681SS**  trans-143.9128.6131.4-93.4165.8000108.1
694S38.5Very low46.3Very low127 Ų127112.5 Ų112.589%0.88867%0.672SS**  trans12.2129.9165-154.90000123.5
695G32.9Very low46.2Very low70 Ų70117.9 Ų117.972%0.72269%0.688SS**  trans151.989151.300000119.7
696N29.8Very low46.1Very low170 Ų170118 Ų11891%0.90969%0.687SS**  trans23.9119.8160.4-71.5-4.6000122.6
697G30.1Very low45.9Very low75 Ų75121.1 Ų121.177%0.77369%0.694SS**  trans88.2159.116000000114.9
698P48.5Very low46Very low102 Ų102119.5 Ų119.566%0.66268%0.684SS**  cis-103.3169.919.139.2-36.5000115.2
699T33.7Very low46.3Very low132 Ų132115.8 Ų115.881%0.8168%0.675SS**SBendtrans-73.6134.4161.836.70000110.9
700S41Very low47.1Very low61 Ų61113.5 Ų113.543%0.42767%0.667SS.*  trans75.4123.6-175.1-167.10000116.8E702S700-E702 PolarHBondContact O-N 2.8Å; S700-E702 PolarHBondContact OG-N 3.03Å
701P47.7Very low48.2Very low115 Ų115114.7 Ų114.775%0.74766%0.662SS**THydrogen-bonded Turntrans-75.31.517634.1-37.1000113.8
702E53Low49.7Very low111 Ų111109.8 Ų109.852%0.51964%0.642SS.*Hα-helixtrans-84.3-29.4-175.4-154-173143.200113.2S700 K706S700-E702 PolarHBondContact O-N 2.8Å; S700-E702 PolarHBondContact OG-N 3.03Å; E702-K706 IonicContact OE1-NZ 3.73Å; E702-K706 PolarHBondContact OE1-NZ 2.82Å
703N51.8Low51.1Low90 Ų90110.4 Ų110.448%0.48163%0.628SS.*Hα-helixtrans-78.2-29.9-178.2-72.3-11.8000113R705 K706 M707N703-R705 VanDerWaalsContact C-N 3.27Å; N703-R705 PolarHBondContact O-N 2.91Å; N703-K706 PolarHBondContact O-N 3.43Å; N703-M707 PolarHBondContact O-N 3.32Å
704A50.6Low52.5Low54 Ų54107.7 Ų107.745%0.44661%0.611SS.*Hα-helixtrans-64.7-3217600000112.2V708A704-V708 WeakPolarHBondContact O-CG2 3.32Å; A704-V708 PolarHBondContact O-N 3.5Å
705R58.8Low53.9Low187 Ų187105 Ų10571%0.70659%0.587SS**Hα-helixtrans-65-49.6171.6-77.7-177.7167.5170.6-5.2111.4N703 M707 V708 E709N703-R705 VanDerWaalsContact C-N 3.27Å; N703-R705 PolarHBondContact O-N 2.91Å; R705-M707 VanDerWaalsContact C-N 3.28Å; R705-M707 PolarHBondContact O-N 3.46Å; R705-V708 CarbonylContact O-C 3.55Å; R705-V708 WeakPolarHBondContact O-CA 3.43Å; R705-V708 PolarHBondContact O-N 3.3Å; R705-E709 WeakPolarHBondContact O-CG 3.33Å; R705-E709 PolarHBondContact O-N 3.37Å
706K60.4Low55.8Low106 Ų106105.5 Ų105.546%0.46157%0.57SS.*Hα-helixtrans-61.7-33-179.1-65.5171.4-171.4166.50113.1E702 N703 E709 H710E702-K706 IonicContact OE1-NZ 3.73Å; E702-K706 PolarHBondContact OE1-NZ 2.82Å; N703-K706 PolarHBondContact O-N 3.43Å; K706-E709 WeakPolarHBondContact CA-OE2 3.3Å; K706-E709 PolarHBondContact N-OE2 3.43Å; K706-H710 WeakPolarHBondContact O-CB 3.5Å; K706-H710 PolarHBondContact O-N 2.93Å
707M56.8Low57.9Low142 Ų142103.2 Ų103.270%0.756%0.556SS**Hα-helixtrans-71.3-37171.4-76.5-176.765.400113.3N703 R705 V711N703-M707 PolarHBondContact O-N 3.32Å; R705-M707 VanDerWaalsContact C-N 3.28Å; R705-M707 PolarHBondContact O-N 3.46Å; M707-V711 WeakPolarHBondContact O-CG2 3.46Å; M707-V711 PolarHBondContact O-N 2.98Å; M707-V711 VanDerWaalsContact O-N 3.08Å
708V61.7Low59.9Low81 Ų81103.3 Ų103.349%0.49154%0.536SS..Hα-helixtrans-67.8-45.8173.9170.70000110.3A704 R705 H710 V711 E712A704-V708 WeakPolarHBondContact O-CG2 3.32Å; A704-V708 PolarHBondContact O-N 3.5Å; R705-V708 CarbonylContact O-C 3.55Å; R705-V708 WeakPolarHBondContact O-CA 3.43Å; R705-V708 PolarHBondContact O-N 3.3Å; V708-H710 VanDerWaalsContact C-N 3.34Å; V708-H710 PolarHBondContact O-N 3.32Å; V708-V711 PolarHBondContact O-N 3.05Å; V708-E712 HydrophobicContact CG1-CG 4.28Å; V708-E712 WeakPolarHBondContact O-CB 3.31Å; V708-E712 WeakPolarHBondContact O-CG 3.19Å; V708-E712 PolarHBondContact O-N 2.98Å
709E63.4Low61.1Low108 Ų108104.6 Ų104.651%0.50553%0.528SS..Hα-helixtrans-55.7-46.7175.5-71.2166.3143.100111.1R705 K706 E712 E713R705-E709 WeakPolarHBondContact O-CG 3.33Å; R705-E709 PolarHBondContact O-N 3.37Å; K706-E709 WeakPolarHBondContact CA-OE2 3.3Å; K706-E709 PolarHBondContact N-OE2 3.43Å; E709-E712 CarbonylContact O-C 3.52Å; E709-E712 PolarHBondContact O-N 3.07Å; E709-E713 WeakPolarHBondContact O-CG 3.22Å; E709-E713 PolarHBondContact O-N 3.33Å
710H68.8Low63Low111 Ų111101.4 Ų101.451%0.51451%0.505SS..Hα-helixtrans-71.1-34.7-178.9-157.347000113.7K706 V708 E713 E714K706-H710 WeakPolarHBondContact O-CB 3.5Å; K706-H710 PolarHBondContact O-N 2.93Å; V708-H710 VanDerWaalsContact C-N 3.34Å; V708-H710 PolarHBondContact O-N 3.32Å; H710-E713 IonicContact CE1-OE2 2.7Å; H710-E713 IonicContact CG-OE2 2.82Å; H710-E713 IonicContact ND1-OE2 2.72Å; H710-E713 PolarHBondContact ND1-OE2 2.86Å; H710-E713 WeakPolarHBondContact O-CB 3.25Å; H710-E713 PolarHBondContact O-N 2.89Å; H710-E714 PolarHBondContact O-N 3.15Å
711V64.9Low64.8Low85 Ų85104.9 Ų104.952%0.51551%0.509SS..Hα-helixtrans-69.7-34.4171.1171.80000110.9M707 V708 L715M707-V711 WeakPolarHBondContact O-CG2 3.46Å; M707-V711 PolarHBondContact O-N 2.98Å; M707-V711 VanDerWaalsContact O-N 3.08Å; V708-V711 PolarHBondContact O-N 3.05Å; V711-L715 VanDerWaalsContact O-CB 3.25Å; V711-L715 WeakPolarHBondContact O-CB 3.32Å; V711-L715 PolarHBondContact O-N 2.74Å
712E67.4Low66Low105 Ų105103.4 Ų103.449%0.49149%0.492SS..Hα-helixtrans-68.3-32.8172.5-73.5-177.6148.100112V708 E709 Q716V708-E712 HydrophobicContact CG1-CG 4.28Å; V708-E712 WeakPolarHBondContact O-CB 3.31Å; V708-E712 WeakPolarHBondContact O-CG 3.19Å; V708-E712 PolarHBondContact O-N 2.98Å; E709-E712 CarbonylContact O-C 3.52Å; E709-E712 PolarHBondContact O-N 3.07Å; E712-Q716 VanDerWaalsContact O-CB 3.23Å; E712-Q716 WeakPolarHBondContact O-CB 3.4Å; E712-Q716 PolarHBondContact O-N 3.13Å
713E70.3Confident67Low114 Ų114102 Ų10253%0.53349%0.494SS..Hα-helixtrans-64.8-49.3169.8-74176.4149.400112.4E709 H710 Q716 M717E709-E713 WeakPolarHBondContact O-CG 3.22Å; E709-E713 PolarHBondContact O-N 3.33Å; H710-E713 IonicContact CE1-OE2 2.7Å; H710-E713 IonicContact CG-OE2 2.82Å; H710-E713 IonicContact ND1-OE2 2.72Å; H710-E713 PolarHBondContact ND1-OE2 2.86Å; H710-E713 WeakPolarHBondContact O-CB 3.25Å; H710-E713 PolarHBondContact O-N 2.89Å; E713-Q716 PolarHBondContact O-N 3.18Å; E713-M717 PolarHBondContact O-N 2.97Å
714E71.5Confident68.3Low115 Ų115105.3 Ų105.354%0.53750%0.5SS..Hα-helixtrans-62.8-43.4176.3-73.5-166.1135.200111.7H710 Q716 M717 E718H710-E714 PolarHBondContact O-N 3.15Å; E714-Q716 PolarHBondContact O-N 3Å; E714-M717 HydrophobicContact CG-CE 4.23Å; E714-M717 PolarHBondContact O-N 2.96Å; E714-E718 PolarHBondContact O-N 2.85Å
715L68.4Low69.4Low72 Ų72107.6 Ų107.638%0.37750%0.502SS..Hα-helixtrans-65.6-28.9176.6-148.2102.5000111.8L684 V711 R719L684-L715 HydrophobicContact CD1-CD2 4.34Å; V711-L715 VanDerWaalsContact O-CB 3.25Å; V711-L715 WeakPolarHBondContact O-CB 3.32Å; V711-L715 PolarHBondContact O-N 2.74Å; L715-R719 VanDerWaalsContact O-CG 3.26Å; L715-R719 WeakPolarHBondContact O-CG 3.25Å; L715-R719 PolarHBondContact O-N 3.04Å; L715-R719 VanDerWaalsContact O-N 3.08Å
716Q73.2Confident70.1Confident80 Ų80101.1 Ų101.137%0.37448%0.483SS..Hα-helixtrans-75.7-40.2173.2-170.55842.700112.3E712 E713 E714 E718 R719 D720E712-Q716 VanDerWaalsContact O-CB 3.23Å; E712-Q716 WeakPolarHBondContact O-CB 3.4Å; E712-Q716 PolarHBondContact O-N 3.13Å; E713-Q716 PolarHBondContact O-N 3.18Å; E714-Q716 PolarHBondContact O-N 3Å; Q716-E718 VanDerWaalsContact C-N 3.29Å; Q716-E718 PolarHBondContact O-N 2.91Å; Q716-R719 WeakPolarHBondContact O-CB 3.27Å; Q716-R719 PolarHBondContact O-N 2.79Å; Q716-D720 PolarHBondContact NE2-OD1 3.28Å; Q716-D720 WeakPolarHBondContact O-CB 3.35Å; Q716-D720 PolarHBondContact O-N 2.75Å
717M74.6Confident70.9Confident122 Ų12299 Ų9960%0.60148%0.481SS*.Hα-helixtrans-59.9-40172.9-75.8-168.7-72.800112E713 E714 D720 R721E713-M717 PolarHBondContact O-N 2.97Å; E714-M717 HydrophobicContact CG-CE 4.23Å; E714-M717 PolarHBondContact O-N 2.96Å; M717-D720 PolarHBondContact O-N 2.74Å; M717-R721 WeakPolarHBondContact O-CB 3.48Å; M717-R721 PolarHBondContact O-N 2.66Å
718E70.3Confident72Confident77 Ų7796.1 Ų96.136%0.3647%0.471SS..Hα-helixtrans-75.2-31178.5-161.861.5-168.200112.2E714 Q716 R721 H722E714-E718 PolarHBondContact O-N 2.85Å; Q716-E718 VanDerWaalsContact C-N 3.29Å; Q716-E718 PolarHBondContact O-N 2.91Å; E718-R721 PolarHBondContact O-N 2.72Å; E718-R721 WeakPolarHBondContact OE1-CD 3.28Å; E718-R721 IonicContact OE1-CZ 2.71Å; E718-R721 IonicContact OE1-NE 3.77Å; E718-R721 IonicContact OE1-NH1 3.13Å; E718-R721 PolarHBondContact OE1-NH1 3.07Å; E718-R721 WeakPolarHBondContact OE2-CD 3.3Å; E718-R721 IonicContact OE2-NH1 2.78Å; E718-R721 PolarHBondContact OE2-NH1 3.01Å; E718-H722 PolarHBondContact O-N 3.42Å; E718-H722 PolarHBondContact O-ND1 3.06Å; E718-H722 IonicContact OE1-CE1 2.65Å; E718-H722 PolarHBondContact OE1-CE1 2.74Å; E718-H722 IonicContact OE1-ND1 3.99Å
719R73.9Confident72.5Confident129 Ų12995.3 Ų95.349%0.48746%0.464SS..Hα-helixtrans-60.7-48.1165.6-77.8170.9-171.3148.93111.8L715 Q716 R721 H722 S723L715-R719 VanDerWaalsContact O-CG 3.26Å; L715-R719 WeakPolarHBondContact O-CG 3.25Å; L715-R719 PolarHBondContact O-N 3.04Å; L715-R719 VanDerWaalsContact O-N 3.08Å; Q716-R719 WeakPolarHBondContact O-CB 3.27Å; Q716-R719 PolarHBondContact O-N 2.79Å; R719-R721 PolarHBondContact O-N 3.31Å; R719-H722 PolarHBondContact O-N 3.21Å; R719-S723 WeakPolarHBondContact O-CB 3.4Å; R719-S723 PolarHBondContact O-N 3.12Å
720D75.4Confident73Confident64 Ų6494.9 Ų94.934%0.34246%0.462SS..Hα-helixtrans-61.2-34.6179-76.515.3000111.3Q716 M717 R724Q716-D720 PolarHBondContact NE2-OD1 3.28Å; Q716-D720 WeakPolarHBondContact O-CB 3.35Å; Q716-D720 PolarHBondContact O-N 2.75Å; M717-D720 PolarHBondContact O-N 2.74Å; D720-R724 WeakPolarHBondContact O-CG 3.49Å; D720-R724 PolarHBondContact O-N 3.09Å; D720-R724 VanDerWaalsContact O-N 3.13Å; D720-R724 PolarHBondContact O-NH1 2.94Å
721R77.7Confident73.6Confident134 Ų13493.4 Ų93.451%0.50646%0.46SS..Hα-helixtrans-66.3-49.9173.8-174.9-170.7-180-169.11.8112.1M717 E718 R719 S723 R724 Q725M717-R721 WeakPolarHBondContact O-CB 3.48Å; M717-R721 PolarHBondContact O-N 2.66Å; E718-R721 PolarHBondContact O-N 2.72Å; E718-R721 WeakPolarHBondContact OE1-CD 3.28Å; E718-R721 IonicContact OE1-CZ 2.71Å; E718-R721 IonicContact OE1-NE 3.77Å; E718-R721 IonicContact OE1-NH1 3.13Å; E718-R721 PolarHBondContact OE1-NH1 3.07Å; E718-R721 WeakPolarHBondContact OE2-CD 3.3Å; E718-R721 IonicContact OE2-NH1 2.78Å; E718-R721 PolarHBondContact OE2-NH1 3.01Å; R719-R721 PolarHBondContact O-N 3.31Å; R721-S723 VanDerWaalsContact C-N 3.32Å; R721-S723 PolarHBondContact O-N 2.71Å; R721-R724 PolarHBondContact O-N 2.92Å; R721-Q725 PolarHBondContact O-N 3.29Å; R721-Q725 VanDerWaalsContact O-N 3.14Å
722H74Confident74.2Confident84 Ų8494.2 Ų94.239%0.38946%0.459SS..Hα-helixtrans-62.1-41176.6-7582.4000111.3E718 R719 R724 Q725 V726E718-H722 PolarHBondContact O-N 3.42Å; E718-H722 PolarHBondContact O-ND1 3.06Å; E718-H722 IonicContact OE1-CE1 2.65Å; E718-H722 PolarHBondContact OE1-CE1 2.74Å; E718-H722 IonicContact OE1-ND1 3.99Å; R719-H722 PolarHBondContact O-N 3.21Å; H722-R724 VanDerWaalsContact C-N 3.35Å; H722-R724 PolarHBondContact O-N 3.34Å; H722-Q725 PolarHBondContact O-N 2.77Å; H722-Q725 VanDerWaalsContact O-N 3.1Å; H722-V726 WeakPolarHBondContact O-CG2 3.37Å; H722-V726 PolarHBondContact O-N 2.96Å
723S73.3Confident74.5Confident81 Ų8190.2 Ų90.257%0.56644%0.44SS*.Hα-helixtrans-58.2-42.1175.4178.70000112.7R719 R721 V726 S727R719-S723 WeakPolarHBondContact O-CB 3.4Å; R719-S723 PolarHBondContact O-N 3.12Å; R721-S723 VanDerWaalsContact C-N 3.32Å; R721-S723 PolarHBondContact O-N 2.71Å; S723-V726 PolarHBondContact O-N 3.24Å; S723-S727 WeakPolarHBondContact O-CB 3.33Å; S723-S727 PolarHBondContact O-N 2.79Å
724R78.6Confident74.9Confident160 Ų16087.6 Ų87.660%0.60444%0.435SS*.Hα-helixtrans-64.3-39.4173.5-71.1176.7-165.4106.14.4112.6D720 R721 H722 S727 V728D720-R724 WeakPolarHBondContact O-CG 3.49Å; D720-R724 PolarHBondContact O-N 3.09Å; D720-R724 VanDerWaalsContact O-N 3.13Å; D720-R724 PolarHBondContact O-NH1 2.94Å; R721-R724 PolarHBondContact O-N 2.92Å; H722-R724 VanDerWaalsContact C-N 3.35Å; H722-R724 PolarHBondContact O-N 3.34Å; R724-S727 PolarHBondContact O-N 2.83Å; R724-V728 WeakPolarHBondContact O-CG2 3.26Å; R724-V728 PolarHBondContact O-N 2.96Å
725Q74.7Confident75.4Confident103 Ų10386.3 Ų86.348%0.48143%0.432SS..Hα-helixtrans-67.8-42.8177.7-71.6-178.1-46.800112.1R721 H722 S727 V728 I729R721-Q725 PolarHBondContact O-N 3.29Å; R721-Q725 VanDerWaalsContact O-N 3.14Å; H722-Q725 PolarHBondContact O-N 2.77Å; H722-Q725 VanDerWaalsContact O-N 3.1Å; Q725-S727 VanDerWaalsContact C-N 3.34Å; Q725-S727 PolarHBondContact O-N 3.22Å; Q725-V728 PolarHBondContact O-N 2.81Å; Q725-I729 WeakPolarHBondContact O-CG1 3.44Å; Q725-I729 PolarHBondContact O-N 2.83Å; Q725-I729 VanDerWaalsContact O-N 3.14Å
726V72.9Confident75.6Confident50 Ų5084.5 Ų84.530%0.30343%0.427SS..Hα-helixtrans-57.7-46.6173.2171.70000110.5H722 S723 V728 I729 E730H722-V726 WeakPolarHBondContact O-CG2 3.37Å; H722-V726 PolarHBondContact O-N 2.96Å; S723-V726 PolarHBondContact O-N 3.24Å; V726-V728 VanDerWaalsContact C-N 3.34Å; V726-V728 PolarHBondContact O-N 2.82Å; V726-I729 CarbonylContact O-C 3.59Å; V726-I729 PolarHBondContact O-N 3.42Å; V726-I729 VanDerWaalsContact O-N 3.14Å; V726-E730 HydrophobicContact CG1-CG 4.19Å; V726-E730 VanDerWaalsContact O-CG 3.31Å; V726-E730 WeakPolarHBondContact O-CG 3.04Å; V726-E730 PolarHBondContact O-N 3.09Å
727S76.3Confident75.8Confident61 Ų6185.9 Ų85.943%0.42743%0.432SS..Hα-helixtrans-60.3-36.9179179.90000114S723 R724 Q725 E730 T731S723-S727 WeakPolarHBondContact O-CB 3.33Å; S723-S727 PolarHBondContact O-N 2.79Å; R724-S727 PolarHBondContact O-N 2.83Å; Q725-S727 VanDerWaalsContact C-N 3.34Å; Q725-S727 PolarHBondContact O-N 3.22Å; S727-E730 PolarHBondContact O-N 3.33Å; S727-T731 PolarHBondContact O-N 2.85Å; S727-T731 PolarHBondContact O-OG1 2.98Å
728V79.9Confident76.2Confident82 Ų8285.1 Ų85.150%0.49743%0.428SS..Hα-helixtrans-66.5-45.5174172.90000110.8R724 Q725 V726 E730 T731 Q732R724-V728 WeakPolarHBondContact O-CG2 3.26Å; R724-V728 PolarHBondContact O-N 2.96Å; Q725-V728 PolarHBondContact O-N 2.81Å; V726-V728 VanDerWaalsContact C-N 3.34Å; V726-V728 PolarHBondContact O-N 2.82Å; V728-E730 PolarHBondContact O-N 2.85Å; V728-T731 WeakPolarHBondContact O-CB 3.1Å; V728-T731 PolarHBondContact O-N 3.44Å; V728-T731 VanDerWaalsContact O-N 3.16Å; V728-Q732 WeakPolarHBondContact O-CG 3.5Å; V728-Q732 PolarHBondContact O-N 3.44Å
729I72.5Confident76.7Confident64 Ų6487.4 Ų87.433%0.32844%0.439SS..Hα-helixtrans-69.6-22.5178-58.8166.7000111R670 Q725 V726 L733R670-I729 HydrophobicContact CG-CG2 4.43Å; R670-I729 PolarHBondContact NH2-O 2.88Å; Q725-I729 WeakPolarHBondContact O-CG1 3.44Å; Q725-I729 PolarHBondContact O-N 2.83Å; Q725-I729 VanDerWaalsContact O-N 3.14Å; V726-I729 CarbonylContact O-C 3.59Å; V726-I729 PolarHBondContact O-N 3.42Å; V726-I729 VanDerWaalsContact O-N 3.14Å; I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 PolarHBondContact O-N 3.27Å; I729-L733 VanDerWaalsContact O-N 3.09Å
730E75.1Confident76.8Confident100 Ų10082.6 Ų82.647%0.46742%0.424SS..Hα-helixtrans-72.5-39.8170-75.2175158.300112.4R670 V726 S727 V728 S734R670-E730 IonicContact NH1-OE1 3.72Å; V726-E730 HydrophobicContact CG1-CG 4.19Å; V726-E730 VanDerWaalsContact O-CG 3.31Å; V726-E730 WeakPolarHBondContact O-CG 3.04Å; V726-E730 PolarHBondContact O-N 3.09Å; S727-E730 PolarHBondContact O-N 3.33Å; V728-E730 PolarHBondContact O-N 2.85Å; E730-S734 WeakPolarHBondContact O-CB 3.45Å; E730-S734 PolarHBondContact O-N 3.41Å
731T80.2Confident77Confident79 Ų7985.7 Ų85.749%0.48544%0.436SS..Hα-helixtrans-64.9-50.9175-48.80000110.3S727 V728 L733 S734 D735S727-T731 PolarHBondContact O-N 2.85Å; S727-T731 PolarHBondContact O-OG1 2.98Å; V728-T731 WeakPolarHBondContact O-CB 3.1Å; V728-T731 PolarHBondContact O-N 3.44Å; V728-T731 VanDerWaalsContact O-N 3.16Å; T731-L733 PolarHBondContact O-N 3.32Å; T731-S734 WeakPolarHBondContact O-CB 3.31Å; T731-S734 PolarHBondContact O-N 2.87Å; T731-D735 PolarHBondContact O-N 3.13Å
732Q77.6Confident77.1Confident103 Ų10382.3 Ų82.348%0.48143%0.433SS..Hα-helixtrans-62-42.6-180-67.4178.2-60.400112.7V728 S734 D735 A736V728-Q732 WeakPolarHBondContact O-CG 3.5Å; V728-Q732 PolarHBondContact O-N 3.44Å; Q732-S734 VanDerWaalsContact C-N 3.26Å; Q732-S734 PolarHBondContact O-N 3.16Å; Q732-D735 PolarHBondContact O-N 3.47Å; Q732-A736 WeakPolarHBondContact O-CB 3.37Å; Q732-A736 PolarHBondContact O-N 3.12Å
733L74.8Confident77.3Confident20 Ų2081.3 Ų81.311%0.10543%0.43CS..Hα-helixtrans-66.5-27.3175.1-17667.1000112.5I729 T731 K737I729-L733 WeakPolarHBondContact O-CB 3.5Å; I729-L733 PolarHBondContact O-N 3.27Å; I729-L733 VanDerWaalsContact O-N 3.09Å; T731-L733 PolarHBondContact O-N 3.32Å; L733-K737 WeakPolarHBondContact O-CB 3.47Å; L733-K737 WeakPolarHBondContact O-CD 3.36Å; L733-K737 WeakPolarHBondContact O-CG 3.32Å; L733-K737 PolarHBondContact O-N 3.2Å
734S78.5Confident77.5Confident59 Ų5984.5 Ų84.541%0.41343%0.43SS..Hα-helixtrans-71.2-45.7174.3-168.10000111.4E730 T731 Q732 K737 M738E730-S734 WeakPolarHBondContact O-CB 3.45Å; E730-S734 PolarHBondContact O-N 3.41Å; T731-S734 WeakPolarHBondContact O-CB 3.31Å; T731-S734 PolarHBondContact O-N 2.87Å; Q732-S734 VanDerWaalsContact C-N 3.26Å; Q732-S734 PolarHBondContact O-N 3.16Å; S734-K737 PolarHBondContact O-N 3.02Å; S734-M738 PolarHBondContact O-N 2.99Å; S734-M738 VanDerWaalsContact O-N 3.16Å
735D81.4Confident77.6Confident89 Ų8980.1 Ų80.148%0.47642%0.424SS..Hα-helixtrans-64.4-44.7178.6-65.7-28.5000111.3T731 Q732 K737 M738 E739T731-D735 PolarHBondContact O-N 3.13Å; Q732-D735 PolarHBondContact O-N 3.47Å; D735-K737 VanDerWaalsContact C-N 3.3Å; D735-K737 PolarHBondContact O-N 3.39Å; D735-M738 PolarHBondContact O-N 3.16Å; D735-M738 VanDerWaalsContact O-N 3.16Å; D735-M738 VanDerWaalsContact OD1-CE 3.29Å; D735-M738 WeakPolarHBondContact OD1-CE 3.39Å; D735-E739 PolarHBondContact O-N 3.07Å; D735-E739 VanDerWaalsContact O-N 3.1Å
736A73Confident77.9Confident34 Ų3480.5 Ų80.528%0.28143%0.426SS..Hα-helixtrans-61.9-33.817600000113.1Q732 V740Q732-A736 WeakPolarHBondContact O-CB 3.37Å; Q732-A736 PolarHBondContact O-N 3.12Å; A736-V740 WeakPolarHBondContact O-CG2 3.5Å; A736-V740 PolarHBondContact O-N 2.96Å; A736-V740 VanDerWaalsContact O-N 3.11Å
737K77.8Confident78Confident109 Ų10980.8 Ų80.847%0.47443%0.425SS..Hα-helixtrans-65.2-45.4172.8-79.2166.3-178.1169.50111.8L733 S734 D735 E739 V740 E741L733-K737 WeakPolarHBondContact O-CB 3.47Å; L733-K737 WeakPolarHBondContact O-CD 3.36Å; L733-K737 WeakPolarHBondContact O-CG 3.32Å; L733-K737 PolarHBondContact O-N 3.2Å; S734-K737 PolarHBondContact O-N 3.02Å; D735-K737 VanDerWaalsContact C-N 3.3Å; D735-K737 PolarHBondContact O-N 3.39Å; K737-E739 VanDerWaalsContact C-N 3.3Å; K737-E739 PolarHBondContact O-N 2.93Å; K737-V740 PolarHBondContact O-N 3.12Å; K737-E741 WeakPolarHBondContact O-CG 3.11Å; K737-E741 PolarHBondContact O-N 3.4Å
738M82.4Confident78.1Confident105 Ų10584.2 Ų84.252%0.51743%0.434SS..Hα-helixtrans-61.8-37.3178.4-68.2-170.4-66.600112.2S734 D735 E741 S742S734-M738 PolarHBondContact O-N 2.99Å; S734-M738 VanDerWaalsContact O-N 3.16Å; D735-M738 PolarHBondContact O-N 3.16Å; D735-M738 VanDerWaalsContact O-N 3.16Å; D735-M738 VanDerWaalsContact OD1-CE 3.29Å; D735-M738 WeakPolarHBondContact OD1-CE 3.39Å; M738-E741 PolarHBondContact O-N 3.01Å; M738-S742 WeakPolarHBondContact O-CB 3.41Å; M738-S742 PolarHBondContact O-N 3.47Å
739E80.6Confident78.1Confident126 Ų12683.9 Ų83.959%0.58943%0.433SS*.Hα-helixtrans-67.5-42.9175-172.4165.9-151.800112D735 K737 E741 S742 L743D735-E739 PolarHBondContact O-N 3.07Å; D735-E739 VanDerWaalsContact O-N 3.1Å; K737-E739 VanDerWaalsContact C-N 3.3Å; K737-E739 PolarHBondContact O-N 2.93Å; E739-E741 VanDerWaalsContact C-N 3.33Å; E739-E741 PolarHBondContact O-N 2.82Å; E739-S742 PolarHBondContact O-N 3.05Å; E739-L743 HydrophobicContact CG-CD1 4.21Å; E739-L743 WeakPolarHBondContact O-CB 3.4Å; E739-L743 WeakPolarHBondContact O-CG 3.46Å; E739-L743 PolarHBondContact O-N 2.91Å
740V75.6Confident78.2Confident28 Ų2885.1 Ų85.117%0.1744%0.439CS..Hα-helixtrans-63-37.5174.4169.80000112A736 K737 R744A736-V740 WeakPolarHBondContact O-CG2 3.5Å; A736-V740 PolarHBondContact O-N 2.96Å; A736-V740 VanDerWaalsContact O-N 3.11Å; K737-V740 PolarHBondContact O-N 3.12Å; V740-R744 WeakPolarHBondContact O-CB 3.27Å; V740-R744 VanDerWaalsContact O-CG 3.25Å; V740-R744 WeakPolarHBondContact O-CG 3.36Å; V740-R744 PolarHBondContact O-N 3.24Å
741E79Confident78.4Confident129 Ų12983 Ų8360%0.60343%0.433SS*.Hα-helixtrans-68.8-40.5175.3-74173.9172.100112K737 M738 E739 R744 S745K737-E741 WeakPolarHBondContact O-CG 3.11Å; K737-E741 PolarHBondContact O-N 3.4Å; M738-E741 PolarHBondContact O-N 3.01Å; E739-E741 VanDerWaalsContact C-N 3.33Å; E739-E741 PolarHBondContact O-N 2.82Å; E741-R744 PolarHBondContact O-N 2.8Å; E741-S745 PolarHBondContact O-N 3.26Å
742S80.8Confident78.2Confident63 Ų6382.3 Ų82.344%0.44143%0.431SS..Hα-helixtrans-61.9-46.6173.6-172.90000112.2M738 E739 S745 Q746M738-S742 WeakPolarHBondContact O-CB 3.41Å; M738-S742 PolarHBondContact O-N 3.47Å; E739-S742 PolarHBondContact O-N 3.05Å; S742-S745 PolarHBondContact O-N 3.49Å; S742-Q746 WeakPolarHBondContact O-CG 3.21Å; S742-Q746 PolarHBondContact O-N 3.4Å; S742-Q746 PolarHBondContact OG-NE2 2.91Å
743L77.2Confident78.2Confident62 Ų6285.1 Ų85.133%0.32544%0.437SS..Hα-helixtrans-65.4-38.4177-71.7171.6000112E739 Q746 L747E739-L743 HydrophobicContact CG-CD1 4.21Å; E739-L743 WeakPolarHBondContact O-CB 3.4Å; E739-L743 WeakPolarHBondContact O-CG 3.46Å; E739-L743 PolarHBondContact O-N 2.91Å; L743-Q746 PolarHBondContact O-N 3.39Å; L743-L747 WeakPolarHBondContact O-CB 3.44Å; L743-L747 PolarHBondContact O-N 2.58Å
744R79.2Confident78Confident149 Ų14987 Ų8756%0.56245%0.449SS*.Hα-helixtrans-60.3-44.7172.1-81.4174.1169.5-129.7-5.4112.1V740 E741 L747 Q748V740-R744 WeakPolarHBondContact O-CB 3.27Å; V740-R744 VanDerWaalsContact O-CG 3.25Å; V740-R744 WeakPolarHBondContact O-CG 3.36Å; V740-R744 PolarHBondContact O-N 3.24Å; E741-R744 PolarHBondContact O-N 2.8Å; R744-L747 PolarHBondContact O-N 3.44Å; R744-Q748 WeakPolarHBondContact O-CB 3.3Å; R744-Q748 PolarHBondContact O-N 3.4Å
745S80.5Confident77.7Confident68 Ų6886.7 Ų86.748%0.47644%0.443SS..Hα-helixtrans-62.9-42178.2-176.90000112.4E741 S742 Q748 T749E741-S745 PolarHBondContact O-N 3.26Å; S742-S745 PolarHBondContact O-N 3.49Å; S745-Q748 PolarHBondContact O-N 3Å; S745-T749 WeakPolarHBondContact O-CB 3.16Å; S745-T749 PolarHBondContact O-N 3.07Å; S745-T749 PolarHBondContact O-OG1 2.87Å
746Q80Confident77.5Confident111 Ų11188.9 Ų88.952%0.51945%0.45SS..Hα-helixtrans-65.1-42.5175.1-69.51775300112.1S742 L743 T749 L750S742-Q746 WeakPolarHBondContact O-CG 3.21Å; S742-Q746 PolarHBondContact O-N 3.4Å; S742-Q746 PolarHBondContact OG-NE2 2.91Å; L743-Q746 PolarHBondContact O-N 3.39Å; Q746-T749 PolarHBondContact O-N 3.2Å; Q746-L750 PolarHBondContact O-N 2.91Å; Q746-L750 VanDerWaalsContact O-N 3.08Å
747L75.9Confident77.6Confident55 Ų5593.7 Ų93.729%0.28847%0.467SS..Hα-helixtrans-63.1-45.5176.7-158.984.9000111.3L656 L743 R744 T749 L750 V751L656-L747 HydrophobicContact CD2-CD2 4.04Å; L743-L747 WeakPolarHBondContact O-CB 3.44Å; L743-L747 PolarHBondContact O-N 2.58Å; R744-L747 PolarHBondContact O-N 3.44Å; L747-T749 VanDerWaalsContact C-N 3.33Å; L747-T749 PolarHBondContact O-N 3.44Å; L747-L750 PolarHBondContact O-N 3.43Å; L747-V751 WeakPolarHBondContact O-CG2 3.43Å; L747-V751 PolarHBondContact O-N 2.89Å
748Q77.8Confident77.3Confident133 Ų13395.2 Ų95.262%0.62147%0.47SS*.Hα-helixtrans-60.6-41.1177.3-172.4175.18.700111.8R744 S745 L750 V751 C752R744-Q748 WeakPolarHBondContact O-CB 3.3Å; R744-Q748 PolarHBondContact O-N 3.4Å; S745-Q748 PolarHBondContact O-N 3Å; Q748-L750 PolarHBondContact O-N 3.43Å; Q748-V751 PolarHBondContact O-N 2.86Å; Q748-C752 PolarHBondContact O-N 3.44Å; Q748-C752 PolarHBondContact O-SG 3.2Å
749T81.1Confident77Confident76 Ų7692.6 Ų92.647%0.46647%0.465SS..Hα-helixtrans-64.7-37.4176.6-54.70000112.4S745 Q746 L747 R753S745-T749 WeakPolarHBondContact O-CB 3.16Å; S745-T749 PolarHBondContact O-N 3.07Å; S745-T749 PolarHBondContact O-OG1 2.87Å; Q746-T749 PolarHBondContact O-N 3.2Å; L747-T749 VanDerWaalsContact C-N 3.33Å; L747-T749 PolarHBondContact O-N 3.44Å; T749-R753 PolarHBondContact O-N 3.42Å
750L74.6Confident76.8Confident89 Ų8989.1 Ų89.147%0.46646%0.458SS..Hα-helixtrans-70.3-41.7174.5-79.2167.4000112.1L652 Q746 L747 Q748 R753 T754L652-L750 HydrophobicContact CD1-CD1 4.24Å; Q746-L750 PolarHBondContact O-N 2.91Å; Q746-L750 VanDerWaalsContact O-N 3.08Å; L747-L750 PolarHBondContact O-N 3.43Å; Q748-L750 PolarHBondContact O-N 3.43Å; L750-R753 PolarHBondContact O-N 3.04Å; L750-T754 PolarHBondContact O-N 2.91Å; L750-T754 VanDerWaalsContact O-N 3.1Å; L750-T754 PolarHBondContact O-OG1 2.91Å
751V77.4Confident76.6Confident55 Ų5591.2 Ų91.233%0.33347%0.468SS..Hα-helixtrans-57.7-53.1177.2166.70000110.6L747 Q748 R753 T754 D755L747-V751 WeakPolarHBondContact O-CG2 3.43Å; L747-V751 PolarHBondContact O-N 2.89Å; Q748-V751 PolarHBondContact O-N 2.86Å; V751-R753 VanDerWaalsContact C-N 3.29Å; V751-R753 PolarHBondContact O-N 3.48Å; V751-T754 WeakPolarHBondContact CA-OG1 3.09Å; V751-T754 PolarHBondContact O-N 2.87Å; V751-T754 PolarHBondContact O-OG1 3.19Å; V751-D755 WeakPolarHBondContact CG1-OD2 3.28Å; V751-D755 PolarHBondContact O-N 2.92Å
752C77.1Confident76.3Confident65 Ų6586.2 Ų86.244%0.43945%0.445SS..Hα-helixtrans-54-42.6178.5-70.30000113.1Q748 D755 E756Q748-C752 PolarHBondContact O-N 3.44Å; Q748-C752 PolarHBondContact O-SG 3.2Å; C752-D755 PolarHBondContact O-N 2.79Å; C752-E756 WeakPolarHBondContact O-CG 3.41Å; C752-E756 PolarHBondContact O-N 2.84Å
753R77.2Confident76.1Confident162 Ų16286 Ų8661%0.61145%0.446SS*.Hα-helixtrans-65.2-42.2176.6-75.6-173.3178.31781.1113.2T749 L750 V751 D755 E756 E757T749-R753 PolarHBondContact O-N 3.42Å; L750-R753 PolarHBondContact O-N 3.04Å; V751-R753 VanDerWaalsContact C-N 3.29Å; V751-R753 PolarHBondContact O-N 3.48Å; R753-D755 PolarHBondContact O-N 2.94Å; R753-E756 PolarHBondContact O-N 3.36Å; R753-E757 WeakPolarHBondContact O-CG 3.32Å; R753-E757 PolarHBondContact O-N 2.87Å
754T71.1Confident76Confident60 Ų6087.9 Ų87.937%0.36846%0.457SS..Hα-helixtrans-64.8-32.1175.141.20000112.2L750 V751 R758L750-T754 PolarHBondContact O-N 2.91Å; L750-T754 VanDerWaalsContact O-N 3.1Å; L750-T754 PolarHBondContact O-OG1 2.91Å; V751-T754 WeakPolarHBondContact CA-OG1 3.09Å; V751-T754 PolarHBondContact O-N 2.87Å; V751-T754 PolarHBondContact O-OG1 3.19Å; T754-R758 WeakPolarHBondContact O-CB 3.15Å; T754-R758 PolarHBondContact O-N 3.41Å
755D73.1Confident75.5Confident52 Ų5284.9 Ų84.928%0.27845%0.449SS..Hα-helixtrans-77.6-35178-63-35.5000112V751 C752 R753 R758 A759V751-D755 WeakPolarHBondContact CG1-OD2 3.28Å; V751-D755 PolarHBondContact O-N 2.92Å; C752-D755 PolarHBondContact O-N 2.79Å; R753-D755 PolarHBondContact O-N 2.94Å; D755-R758 PolarHBondContact O-N 2.82Å; D755-A759 WeakPolarHBondContact O-CB 2.89Å; D755-A759 PolarHBondContact O-N 2.82Å
756E77.2Confident75.2Confident135 Ų13585.1 Ų85.163%0.63144%0.443SS*.Hα-helixtrans-59.2-50.5169.2-75.8171.1169.100112C752 R753 R758 A759 A760C752-E756 WeakPolarHBondContact O-CG 3.41Å; C752-E756 PolarHBondContact O-N 2.84Å; R753-E756 PolarHBondContact O-N 3.36Å; E756-R758 VanDerWaalsContact C-N 3.28Å; E756-R758 PolarHBondContact O-N 3.02Å; E756-A759 PolarHBondContact O-N 2.89Å; E756-A760 PolarHBondContact O-N 2.84Å; E756-A760 VanDerWaalsContact O-N 3.08Å
757E74.5Confident74.9Confident136 Ų13686.5 Ų86.564%0.63645%0.449SS*.Hα-helixtrans-62.7-36.2177.1-72.8-179.9173.300111.9R753 L761R753-E757 WeakPolarHBondContact O-CG 3.32Å; R753-E757 PolarHBondContact O-N 2.87Å; E757-L761 WeakPolarHBondContact O-CB 3.33Å; E757-L761 PolarHBondContact O-N 3.4Å
758R71.7Confident74.7Confident140 Ų14086.2 Ų86.253%0.52846%0.455SS..Hα-helixtrans-72.9-40.7179.7-166.2178.3-160.7-177.30.8112.3T754 D755 E756 L761 I762T754-R758 WeakPolarHBondContact O-CB 3.15Å; T754-R758 PolarHBondContact O-N 3.41Å; D755-R758 PolarHBondContact O-N 2.82Å; E756-R758 VanDerWaalsContact C-N 3.28Å; E756-R758 PolarHBondContact O-N 3.02Å; R758-L761 PolarHBondContact O-N 3.12Å; R758-I762 HydrophobicContact CG-CD1 4.28Å; R758-I762 VanDerWaalsContact O-CG1 3.29Å; R758-I762 WeakPolarHBondContact O-CG1 3.41Å; R758-I762 PolarHBondContact O-N 2.81Å
759A74.8Confident74.2Confident51 Ų5181.7 Ų81.742%0.42144%0.435SS..Hα-helixtrans-62.6-42.9173.700000111.4D755 E756 L761 I762 A763D755-A759 WeakPolarHBondContact O-CB 2.89Å; D755-A759 PolarHBondContact O-N 2.82Å; E756-A759 PolarHBondContact O-N 2.89Å; A759-L761 VanDerWaalsContact C-N 3.34Å; A759-L761 PolarHBondContact O-N 2.98Å; A759-I762 PolarHBondContact O-N 2.97Å; A759-A763 PolarHBondContact O-N 3.29Å
760A76.8Confident73.9Confident52 Ų5279.6 Ų79.643%0.4343%0.428SS..Hα-helixtrans-62.5-39.4174.300000112.3E756 N764E756-A760 PolarHBondContact O-N 2.84Å; E756-A760 VanDerWaalsContact O-N 3.08Å; A760-N764 PolarHBondContact O-N 3.44Å; A760-N764 PolarHBondContact O-ND2 2.85Å
761L71.4Confident73.9Confident73 Ų7381 Ų8138%0.38244%0.436SS..Hα-helixtrans-68.2-39.2176.1-173.164.9000112.4M638 E757 R758 A759 H765M638-L761 HydrophobicContact CE-CD1 4.36Å; E757-L761 WeakPolarHBondContact O-CB 3.33Å; E757-L761 PolarHBondContact O-N 3.4Å; R758-L761 PolarHBondContact O-N 3.12Å; A759-L761 VanDerWaalsContact C-N 3.34Å; A759-L761 PolarHBondContact O-N 2.98Å; L761-H765 PolarHBondContact O-CD2 3.22Å; L761-H765 PolarHBondContact O-N 3.46Å
762I73.7Confident73.4Confident24 Ų2483.9 Ų83.912%0.12345%0.449CS..Hα-helixtrans-63-47.7175.8-71.5167.1000110.5R758 A759 N764 H765 E766R758-I762 HydrophobicContact CG-CD1 4.28Å; R758-I762 VanDerWaalsContact O-CG1 3.29Å; R758-I762 WeakPolarHBondContact O-CG1 3.41Å; R758-I762 PolarHBondContact O-N 2.81Å; A759-I762 PolarHBondContact O-N 2.97Å; I762-N764 PolarHBondContact O-N 2.79Å; I762-H765 WeakPolarHBondContact O-CA 3.44Å; I762-H765 PolarHBondContact O-N 3.42Å; I762-E766 HydrophobicContact CG2-CG 4.3Å; I762-E766 WeakPolarHBondContact CG2-OE1 3.34Å; I762-E766 PolarHBondContact O-N 2.92Å
763A76.3Confident73.1Confident57 Ų5784.6 Ų84.647%0.47145%0.445SS..Hα-helixtrans-56.6-44.917900000113A759 H765 E766 E767A759-A763 PolarHBondContact O-N 3.29Å; A763-H765 VanDerWaalsContact C-N 3.29Å; A763-H765 PolarHBondContact O-N 2.89Å; A763-E766 PolarHBondContact O-N 2.78Å; A763-E767 PolarHBondContact O-N 3.25Å
764N75Confident73.1Confident102 Ų10281.8 Ų81.855%0.54544%0.441SS..Hα-helixtrans-64.8-30.6175.8-73.9-68.7000112.9A760 I762 A768A760-N764 PolarHBondContact O-N 3.44Å; A760-N764 PolarHBondContact O-ND2 2.85Å; I762-N764 PolarHBondContact O-N 2.79Å; N764-A768 PolarHBondContact O-N 2.91Å
765H69.4Low73.2Confident86 Ų8681.8 Ų81.840%0.39845%0.448SS..Hα-helixtrans-77-35.6175.1-76.8-48.1000112.7L761 I762 A763 A768 I769 F1005L761-H765 PolarHBondContact O-CD2 3.22Å; L761-H765 PolarHBondContact O-N 3.46Å; I762-H765 WeakPolarHBondContact O-CA 3.44Å; I762-H765 PolarHBondContact O-N 3.42Å; A763-H765 VanDerWaalsContact C-N 3.29Å; A763-H765 PolarHBondContact O-N 2.89Å; H765-A768 PolarHBondContact O-N 3.31Å; H765-I769 WeakPolarHBondContact O-CB 3.34Å; H765-I769 WeakPolarHBondContact O-CD1 3.39Å; H765-I769 WeakPolarHBondContact O-CG1 3.25Å; H765-I769 PolarHBondContact O-N 3.09Å; H765-F1005 HydrophobicContact CB-CE1 3.55Å; H765-F1005 HydrophobicContact CB-CZ 3.9Å
766E72.3Confident72.9Confident73 Ų7381.5 Ų81.534%0.34145%0.448SS..Hα-helixtrans-62.8-42.8175-71.4-174.8-163.400112.2I762 A763 A768 I769 G770 K1009I762-E766 HydrophobicContact CG2-CG 4.3Å; I762-E766 WeakPolarHBondContact CG2-OE1 3.34Å; I762-E766 PolarHBondContact O-N 2.92Å; A763-E766 PolarHBondContact O-N 2.78Å; E766-A768 PolarHBondContact O-N 3.19Å; E766-I769 PolarHBondContact O-N 3.47Å; E766-G770 PolarHBondContact O-N 3.01Å; E766-K1009 VanDerWaalsContact OE1-CD 3.3Å; E766-K1009 WeakPolarHBondContact OE1-CD 3.18Å; E766-K1009 VanDerWaalsContact OE1-CE 3.31Å; E766-K1009 WeakPolarHBondContact OE1-CE 3.37Å; E766-K1009 IonicContact OE1-NZ 2.77Å; E766-K1009 PolarHBondContact OE1-NZ 3.32Å; E766-K1009 IonicContact OE2-NZ 3.12Å; E766-K1009 PolarHBondContact OE2-NZ 3.3Å
767E74.4Confident72.6Confident141 Ų14178.6 Ų78.666%0.65943%0.434SS*.Hα-helixtrans-58.5-48.4174.8-172.3171.7-156.100111.1A763 I769 G770 D771A763-E767 PolarHBondContact O-N 3.25Å; E767-I769 VanDerWaalsContact C-N 3.32Å; E767-I769 PolarHBondContact O-N 3.29Å; E767-G770 PolarHBondContact O-N 3.48Å; E767-D771 PolarHBondContact O-N 2.9Å
768A71.2Confident72.6Confident48 Ų4877.3 Ų77.340%0.39742%0.423SS..Hα-helixtrans-65.1-30177.500000114N764 H765 E766 L772N764-A768 PolarHBondContact O-N 2.91Å; H765-A768 PolarHBondContact O-N 3.31Å; E766-A768 PolarHBondContact O-N 3.19Å; A768-L772 WeakPolarHBondContact O-CG 3.34Å; A768-L772 PolarHBondContact O-N 3.47Å
769I68Low72.4Confident39 Ų3975.4 Ų75.420%0.242%0.421CS..Hα-helixtrans-73.4-36.4174.2-71.1162.5000110.9H765 E766 E767 L772 H773 F1005H765-I769 WeakPolarHBondContact O-CB 3.34Å; H765-I769 WeakPolarHBondContact O-CD1 3.39Å; H765-I769 WeakPolarHBondContact O-CG1 3.25Å; H765-I769 PolarHBondContact O-N 3.09Å; E766-I769 PolarHBondContact O-N 3.47Å; E767-I769 VanDerWaalsContact C-N 3.32Å; E767-I769 PolarHBondContact O-N 3.29Å; I769-L772 PolarHBondContact O-N 3.16Å; I769-H773 PolarHBondContact O-N 2.88Å; I769-F1005 HydrophobicContact CD1-CB 4.13Å; I769-F1005 HydrophobicContact CD1-CD1 3.63Å; I769-F1005 HydrophobicContact CD1-CD2 3.48Å; I769-F1005 VanDerWaalsContact CD1-CD2 3.48Å; I769-F1005 HydrophobicContact CD1-CE1 3.86Å; I769-F1005 HydrophobicContact CD1-CE2 3.71Å; I769-F1005 HydrophobicContact CD1-CG 3.43Å; I769-F1005 VanDerWaalsContact CD1-CG 3.43Å; I769-F1005 HydrophobicContact CD1-CZ 3.89Å
770G74Confident72.1Confident32 Ų3280 Ų8033%0.3343%0.427SS..Hα-helixtrans-59.5-49.9174.200000112.4E766 E767 L772 H773 I774E766-G770 PolarHBondContact O-N 3.01Å; E767-G770 PolarHBondContact O-N 3.48Å; G770-L772 VanDerWaalsContact C-N 3.32Å; G770-L772 PolarHBondContact O-N 3.01Å; G770-H773 PolarHBondContact O-N 2.91Å; G770-I774 WeakPolarHBondContact O-CG1 3.45Å; G770-I774 PolarHBondContact O-N 3.32Å; G770-I774 VanDerWaalsContact O-N 3.08Å
771D75.3Confident71.9Confident118 Ų11880.2 Ų80.263%0.63142%0.419SS*.Hα-helixtrans-59.4-41.3175.5-86.9-8.6000112.3E767 I774 A775E767-D771 PolarHBondContact O-N 2.9Å; D771-I774 PolarHBondContact O-N 3.3Å; D771-A775 PolarHBondContact O-N 3.49Å; D771-A775 VanDerWaalsContact O-N 3.11Å
772L66.3Low72.1Confident115 Ų11582.1 Ų82.160%0.60243%0.429SS*.Hα-helixtrans-65-40.3175.8-82.2166.9000112.5A768 I769 G770 A775 V776A768-L772 WeakPolarHBondContact O-CG 3.34Å; A768-L772 PolarHBondContact O-N 3.47Å; I769-L772 PolarHBondContact O-N 3.16Å; G770-L772 VanDerWaalsContact C-N 3.32Å; G770-L772 PolarHBondContact O-N 3.01Å; L772-A775 PolarHBondContact O-N 3.5Å; L772-V776 WeakPolarHBondContact O-CG2 3.35Å; L772-V776 PolarHBondContact O-N 3.48Å
773H72.2Confident71.6Confident80 Ų8087 Ų8737%0.3745%0.446SS..Hα-helixtrans-60.6-47.9175.4-114.6100.9000111.2I769 G770 A775 V776 E777I769-H773 PolarHBondContact O-N 2.88Å; G770-H773 PolarHBondContact O-N 2.91Å; H773-A775 VanDerWaalsContact C-N 3.27Å; H773-A775 PolarHBondContact O-N 3.2Å; H773-V776 PolarHBondContact O-N 2.79Å; H773-V776 VanDerWaalsContact O-N 3.15Å; H773-E777 PolarHBondContact O-N 3.32Å
774I76.2Confident71.5Confident103 Ų10387.4 Ų87.453%0.52844%0.44SS..Hα-helixtrans-61.1-36.7179.6-65.6165.8000111.4G770 D771 R778G770-I774 WeakPolarHBondContact O-CG1 3.45Å; G770-I774 PolarHBondContact O-N 3.32Å; G770-I774 VanDerWaalsContact O-N 3.08Å; D771-I774 PolarHBondContact O-N 3.3Å; I774-R778 WeakPolarHBondContact O-CG 3.48Å; I774-R778 PolarHBondContact O-N 3.17Å
775A72.4Confident71.5Confident60 Ų6085.7 Ų85.750%0.49643%0.429SS..Hα-helixtrans-67.3-44.2174.600000112.6D771 L772 H773 R778 E779D771-A775 PolarHBondContact O-N 3.49Å; D771-A775 VanDerWaalsContact O-N 3.11Å; L772-A775 PolarHBondContact O-N 3.5Å; H773-A775 VanDerWaalsContact C-N 3.27Å; H773-A775 PolarHBondContact O-N 3.2Å; A775-R778 PolarHBondContact O-N 3Å; A775-E779 PolarHBondContact O-N 3.31Å
776V67.3Low71.5Confident47 Ų4783.7 Ų83.729%0.28542%0.423SS..Hα-helixtrans-65.7-41.1178.5169.70000111.7L772 H773 R778 E779 R780 F995L772-V776 WeakPolarHBondContact O-CG2 3.35Å; L772-V776 PolarHBondContact O-N 3.48Å; H773-V776 PolarHBondContact O-N 2.79Å; H773-V776 VanDerWaalsContact O-N 3.15Å; V776-R778 VanDerWaalsContact C-N 3.35Å; V776-R778 PolarHBondContact O-N 3.42Å; V776-E779 PolarHBondContact O-N 3.18Å; V776-R780 WeakPolarHBondContact O-CB 3.46Å; V776-R780 PolarHBondContact O-N 3.36Å; V776-F995 HydrophobicContact CG1-CE2 4.26Å; V776-F995 HydrophobicContact CG1-CZ 4.27Å
777E71.8Confident71.4Confident73 Ų7382 Ų8234%0.34142%0.415SS..Hα-helixtrans-62.8-40.8179.2-142.372.4-117.100111.6H773 R780 E781H773-E777 PolarHBondContact O-N 3.32Å; E777-R780 WeakPolarHBondContact O-CB 3.28Å; E777-R780 PolarHBondContact O-N 2.87Å; E777-R780 WeakPolarHBondContact OE1-CD 3.32Å; E777-R780 IonicContact OE1-CZ 3.03Å; E777-R780 IonicContact OE1-NH1 2.7Å; E777-R780 PolarHBondContact OE1-NH1 3.29Å; E777-E781 PolarHBondContact O-N 3.37Å; E777-E781 VanDerWaalsContact O-N 3.11Å
778R74.2Confident71.5Confident109 Ų10978.7 Ų78.741%0.41140%0.402SS..Hα-helixtrans-64.2-40.1174.4-76.3-178.8174.4-158-5.9112.8I774 A775 V776 R780 L782 S1787 L1789I774-R778 WeakPolarHBondContact O-CG 3.48Å; I774-R778 PolarHBondContact O-N 3.17Å; A775-R778 PolarHBondContact O-N 3Å; V776-R778 VanDerWaalsContact C-N 3.35Å; V776-R778 PolarHBondContact O-N 3.42Å; R778-R780 VanDerWaalsContact C-N 3.3Å; R778-L782 PolarHBondContact O-N 3Å; R778-S1787 PolarHBondContact NH2-O 3.22Å; R778-L1789 HydrophobicContact CG-CD2 4.3Å
779E66.8Low71.7Confident101 Ų10182.5 Ų82.547%0.47241%0.411SS..Hα-helixtrans-69.6-32.2177-147.6-158.4145.600111.7A775 V776 R783A775-E779 PolarHBondContact O-N 3.31Å; V776-E779 PolarHBondContact O-N 3.18Å; E779-R783 WeakPolarHBondContact O-CB 3.38Å; E779-R783 VanDerWaalsContact O-CG 3.22Å; E779-R783 WeakPolarHBondContact O-CG 3.37Å; E779-R783 PolarHBondContact O-N 3.22Å; E779-R783 IonicContact OE1-CZ 3.92Å; E779-R783 IonicContact OE1-NE 2.93Å; E779-R783 PolarHBondContact OE1-NE 3.27Å; E779-R783 IonicContact OE1-NH2 3.73Å; E779-R783 PolarHBondContact OE1-NH2 2.97Å; E779-R783 IonicContact OE2-NH2 3.18Å; E779-R783 PolarHBondContact OE2-NH2 3.42Å
780R68.9Low71.7Confident148 Ų14881.6 Ų81.656%0.55841%0.406SS*.Hα-helixtrans-65-46176.3-176.9-175.9175.4-150.1-0.5112.4V776 E777 R778 R783 L784V776-R780 WeakPolarHBondContact O-CB 3.46Å; V776-R780 PolarHBondContact O-N 3.36Å; E777-R780 WeakPolarHBondContact O-CB 3.28Å; E777-R780 PolarHBondContact O-N 2.87Å; E777-R780 WeakPolarHBondContact OE1-CD 3.32Å; E777-R780 IonicContact OE1-CZ 3.03Å; E777-R780 IonicContact OE1-NH1 2.7Å; E777-R780 PolarHBondContact OE1-NH1 3.29Å; R778-R780 VanDerWaalsContact C-N 3.3Å; R780-R783 PolarHBondContact O-N 3.41Å; R780-L784 PolarHBondContact O-N 3.1Å; R780-L784 VanDerWaalsContact O-N 3.15Å
781E73.3Confident71.7Confident55 Ų5584.5 Ų84.526%0.25741%0.411SS..Hα-helixtrans-61.5-46.1175.3-69-160.5133.300111.7E777 R783 L784 E785 L1789 R1791E777-E781 PolarHBondContact O-N 3.37Å; E777-E781 VanDerWaalsContact O-N 3.11Å; E781-R783 VanDerWaalsContact C-N 3.3Å; E781-R783 PolarHBondContact O-N 3.04Å; E781-L784 WeakPolarHBondContact O-CB 3.45Å; E781-L784 PolarHBondContact O-N 3.24Å; E781-E785 PolarHBondContact O-N 3.04Å; E781-E785 VanDerWaalsContact O-N 3.14Å; E781-L1789 WeakPolarHBondContact OE2-CD2 3.39Å; E781-R1791 VanDerWaalsContact OE1-CD 3.25Å; E781-R1791 WeakPolarHBondContact OE1-CD 3.42Å; E781-R1791 IonicContact OE1-CZ 3.78Å; E781-R1791 IonicContact OE1-NE 3.12Å; E781-R1791 IonicContact OE1-NH1 2.65Å; E781-R1791 PolarHBondContact OE1-NH1 2.76Å
782L74.1Confident71.7Confident114 Ų11484.7 Ų84.760%0.59741%0.41SS*.Hα-helixtrans-61.8-37-179.9-164.178.1000112.5R778 T786R778-L782 PolarHBondContact O-N 3Å; L782-T786 PolarHBondContact O-N 3.17Å
783R64.9Low72.2Confident125 Ų12584.6 Ų84.647%0.47241%0.407SS..Hα-helixtrans-64.1-42.5173.7-73.4168.9-177.2-162.48.8111.2E779 R780 E781 T786 Q787E779-R783 WeakPolarHBondContact O-CB 3.38Å; E779-R783 VanDerWaalsContact O-CG 3.22Å; E779-R783 WeakPolarHBondContact O-CG 3.37Å; E779-R783 PolarHBondContact O-N 3.22Å; E779-R783 IonicContact OE1-CZ 3.92Å; E779-R783 IonicContact OE1-NE 2.93Å; E779-R783 PolarHBondContact OE1-NE 3.27Å; E779-R783 IonicContact OE1-NH2 3.73Å; E779-R783 PolarHBondContact OE1-NH2 2.97Å; E779-R783 IonicContact OE2-NH2 3.18Å; E779-R783 PolarHBondContact OE2-NH2 3.42Å; R780-R783 PolarHBondContact O-N 3.41Å; E781-R783 VanDerWaalsContact C-N 3.3Å; E781-R783 PolarHBondContact O-N 3.04Å; R783-T786 PolarHBondContact O-N 3.33Å; R783-T786 PolarHBondContact O-OG1 3.17Å; R783-Q787 PolarHBondContact O-N 3.42Å
784L74.1Confident72.1Confident67 Ų6781.1 Ų81.135%0.35139%0.391SS..Hα-helixtrans-60.4-45.8-179.5-147.578.8000112.1R780 E781 T786 Q787 N788R780-L784 PolarHBondContact O-N 3.1Å; R780-L784 VanDerWaalsContact O-N 3.15Å; E781-L784 WeakPolarHBondContact O-CB 3.45Å; E781-L784 PolarHBondContact O-N 3.24Å; L784-T786 VanDerWaalsContact C-N 3.29Å; L784-T786 PolarHBondContact O-N 2.94Å; L784-Q787 WeakPolarHBondContact O-CB 3.31Å; L784-Q787 PolarHBondContact O-N 3.22Å; L784-Q787 VanDerWaalsContact O-N 3.08Å; L784-N788 PolarHBondContact O-N 3.28Å; L784-N788 VanDerWaalsContact O-N 3.11Å
785E74.6Confident72.2Confident66 Ų6680.6 Ų80.631%0.30839%0.389SS..Hα-helixtrans-59.6-38.7176.3-69.8-170.9146.300112E781 Q789 E1792E781-E785 PolarHBondContact O-N 3.04Å; E781-E785 VanDerWaalsContact O-N 3.14Å; E785-Q789 WeakPolarHBondContact O-CG 3.35Å; E785-Q789 PolarHBondContact O-N 3.22Å; E785-E1792 PolarHBondContact OE1-N 2.96Å
786T70.3Confident72.5Confident44 Ų4479.1 Ų79.127%0.2738%0.38SS..Hα-helixtrans-73.5-25.2175.368.50000114.2L782 R783 L784 L790 R987L782-T786 PolarHBondContact O-N 3.17Å; R783-T786 PolarHBondContact O-N 3.33Å; R783-T786 PolarHBondContact O-OG1 3.17Å; L784-T786 VanDerWaalsContact C-N 3.29Å; L784-T786 PolarHBondContact O-N 2.94Å; T786-L790 WeakPolarHBondContact O-CG 3.19Å; T786-L790 PolarHBondContact O-N 3.45Å; T786-R987 PolarHBondContact OG1-NH1 3.42Å
787Q69Low72.8Confident37 Ų3778.5 Ų78.517%0.17337%0.374CS..Hα-helixtrans-68.4-47.4173.8-175-179.3-23.100110.2R783 L784 Q789 L790 E791R783-Q787 PolarHBondContact O-N 3.42Å; L784-Q787 WeakPolarHBondContact O-CB 3.31Å; L784-Q787 PolarHBondContact O-N 3.22Å; L784-Q787 VanDerWaalsContact O-N 3.08Å; Q787-Q789 VanDerWaalsContact C-N 3.28Å; Q787-Q789 PolarHBondContact O-N 3Å; Q787-L790 PolarHBondContact O-N 3.26Å; Q787-L790 VanDerWaalsContact O-N 3.09Å; Q787-E791 PolarHBondContact NE2-OE1 3.39Å; Q787-E791 PolarHBondContact O-N 3.31Å; Q787-E791 VanDerWaalsContact O-N 3.07Å
788N76.5Confident73Confident72 Ų7279.2 Ų79.239%0.38538%0.377SS..Hα-helixtrans-59.7-37.5179.3-67.5-8.9000112.2L784 M792L784-N788 PolarHBondContact O-N 3.28Å; L784-N788 VanDerWaalsContact O-N 3.11Å; N788-M792 PolarHBondContact O-N 3.47Å
789Q75.7Confident73.3Confident127 Ų12781.1 Ų81.159%0.59339%0.39SS*.Hα-helixtrans-64-43.2174.4-71.1175.35.900112.5E785 Q787 E791 M792 E793E785-Q789 WeakPolarHBondContact O-CG 3.35Å; E785-Q789 PolarHBondContact O-N 3.22Å; Q787-Q789 VanDerWaalsContact C-N 3.28Å; Q787-Q789 PolarHBondContact O-N 3Å; Q789-E791 PolarHBondContact O-N 2.99Å; Q789-M792 PolarHBondContact O-N 3.02Å; Q789-E793 PolarHBondContact O-N 2.81Å
790L68Low73.9Confident20 Ų2079.9 Ų79.911%0.10539%0.387CS..Hα-helixtrans-68-31.6179.3-70.9168000112.9T786 Q787 N794 L980T786-L790 WeakPolarHBondContact O-CG 3.19Å; T786-L790 PolarHBondContact O-N 3.45Å; Q787-L790 PolarHBondContact O-N 3.26Å; Q787-L790 VanDerWaalsContact O-N 3.09Å; L790-N794 WeakPolarHBondContact O-CB 3.48Å; L790-N794 PolarHBondContact O-N 3.23Å; L790-N794 PolarHBondContact O-ND2 3.17Å; L790-N794 VanDerWaalsContact O-ND2 3.17Å; L790-L980 HydrophobicContact CD2-CD2 3.66Å
791E73.3Confident74.2Confident93 Ų9374.2 Ų74.244%0.43537%0.367SS..Hα-helixtrans-67.9-37.1173.6-71.6-171.6-174.900112.4Q787 Q789 N794 N795Q787-E791 PolarHBondContact NE2-OE1 3.39Å; Q787-E791 PolarHBondContact O-N 3.31Å; Q787-E791 VanDerWaalsContact O-N 3.07Å; Q789-E791 PolarHBondContact O-N 2.99Å; E791-N794 PolarHBondContact O-N 2.92Å; E791-N795 PolarHBondContact O-N 3.16Å; E791-N795 VanDerWaalsContact O-N 3.09Å; E791-N795 PolarHBondContact O-ND2 3.17Å
792M77Confident74.5Confident123 Ų12378.5 Ų78.561%0.60639%0.387SS*.Hα-helixtrans-64.2-42.5173.9-69.1-174.167.900112.2N788 Q789 N795 G796 L1795N788-M792 PolarHBondContact O-N 3.47Å; Q789-M792 PolarHBondContact O-N 3.02Å; M792-N795 PolarHBondContact O-N 2.79Å; M792-G796 PolarHBondContact O-N 3.37Å; M792-L1795 HydrophobicContact CE-CD2 3.93Å
793E75.4Confident74.8Confident113 Ų11375.9 Ų75.953%0.52838%0.382SS..Hα-helixtrans-65-43.5175.9-68.7-168.615600112.3Q789 N795 G796 L797Q789-E793 PolarHBondContact O-N 2.81Å; E793-N795 VanDerWaalsContact C-N 3.35Å; E793-N795 PolarHBondContact O-N 2.97Å; E793-G796 PolarHBondContact O-N 2.9Å; E793-L797 WeakPolarHBondContact O-CG 3.5Å; E793-L797 PolarHBondContact O-N 3.16Å
794N70.2Confident75.2Confident6 Ų670.7 Ų70.73%0.03236%0.363CS..Hα-helixtrans-59.7-42.7177.2-86.7-42.8000112.3L790 E791 L797 K798 L980L790-N794 WeakPolarHBondContact O-CB 3.48Å; L790-N794 PolarHBondContact O-N 3.23Å; L790-N794 PolarHBondContact O-ND2 3.17Å; L790-N794 VanDerWaalsContact O-ND2 3.17Å; E791-N794 PolarHBondContact O-N 2.92Å; N794-L797 PolarHBondContact O-N 3.42Å; N794-K798 WeakPolarHBondContact O-CG 3.36Å; N794-K798 PolarHBondContact O-N 2.81Å; N794-L980 PolarHBondContact ND2-O 2.92Å; N794-L980 WeakPolarHBondContact OD1-CB 3.4Å
795N78.1Confident75.3Confident93 Ų9371.5 Ų71.550%0.49737%0.365SS..Hα-helixtrans-65.2-42.5177.5-73-34.3000112.2E791 M792 E793 L797 K798 E799E791-N795 PolarHBondContact O-N 3.16Å; E791-N795 VanDerWaalsContact O-N 3.09Å; E791-N795 PolarHBondContact O-ND2 3.17Å; M792-N795 PolarHBondContact O-N 2.79Å; E793-N795 VanDerWaalsContact C-N 3.35Å; E793-N795 PolarHBondContact O-N 2.97Å; N795-L797 VanDerWaalsContact C-N 3.29Å; N795-L797 PolarHBondContact O-N 2.79Å; N795-K798 PolarHBondContact O-N 3.49Å; N795-E799 PolarHBondContact O-N 3.45Å
796G79.1Confident75.5Confident29 Ų2970.7 Ų70.730%0.29938%0.375SS..Hα-helixtrans-63.3-31.8174.700000113.8M792 E793 N800M792-G796 PolarHBondContact O-N 3.37Å; E793-G796 PolarHBondContact O-N 2.9Å; G796-N800 PolarHBondContact O-N 2.97Å; G796-N800 PolarHBondContact O-ND2 3.28Å
797L73.7Confident75.9Confident33 Ų3374 Ų7417%0.17339%0.387CS..Hα-helixtrans-74-34.2173.3-72.5172.4000112.8E793 N794 N795 N800 I801 L977 L980E793-L797 WeakPolarHBondContact O-CG 3.5Å; E793-L797 PolarHBondContact O-N 3.16Å; N794-L797 PolarHBondContact O-N 3.42Å; N795-L797 VanDerWaalsContact C-N 3.29Å; N795-L797 PolarHBondContact O-N 2.79Å; L797-N800 WeakPolarHBondContact O-CB 3.49Å; L797-N800 PolarHBondContact O-N 3.22Å; L797-I801 WeakPolarHBondContact O-CG1 3.35Å; L797-I801 PolarHBondContact O-N 3.25Å; L797-L977 HydrophobicContact CB-CB 4.43Å; L797-L977 HydrophobicContact CB-CD1 3.54Å; L797-L977 HydrophobicContact CB-CG 4.21Å; L797-L980 HydrophobicContact CD1-CD1 3.4Å; L797-L980 VanDerWaalsContact CD1-CD1 3.4Å
798K77.2Confident76Confident89 Ų8972.6 Ų72.639%0.38738%0.381SS..Hα-helixtrans-62.1-46.5175.8-75.3172.9-176.2173.10111.7N794 N795 N800 I801 H802 L977 E981N794-K798 WeakPolarHBondContact O-CG 3.36Å; N794-K798 PolarHBondContact O-N 2.81Å; N795-K798 PolarHBondContact O-N 3.49Å; K798-N800 VanDerWaalsContact C-N 3.3Å; K798-N800 PolarHBondContact O-N 2.87Å; K798-I801 PolarHBondContact O-N 3.21Å; K798-H802 WeakPolarHBondContact O-CB 2.84Å; K798-H802 PolarHBondContact O-N 3.07Å; K798-L977 HydrophobicContact CB-CD1 4.29Å; K798-L977 HydrophobicContact CG-CD1 3.52Å; K798-L977 HydrophobicContact CG-CD2 4.5Å; K798-E981 WeakPolarHBondContact CE-OE1 3.43Å; K798-E981 IonicContact NZ-OE1 3.29Å; K798-E981 PolarHBondContact NZ-OE1 2.95Å
799E79.9Confident76.1Confident148 Ų14871.7 Ų71.769%0.69238%0.383SS*.Hα-helixtrans-58.8-42.3174.7-66.7-177.6163.700111.7N795 H802 A803N795-E799 PolarHBondContact O-N 3.45Å; E799-H802 PolarHBondContact O-N 2.81Å; E799-A803 WeakPolarHBondContact O-CB 3.31Å; E799-A803 PolarHBondContact O-N 3.47Å
800N78Confident76.2Confident75 Ų7567.4 Ų67.440%0.40137%0.373SS..Hα-helixtrans-63.7-42177.8-94.2-90.9000113.6G796 L797 K798 M804 K973G796-N800 PolarHBondContact O-N 2.97Å; G796-N800 PolarHBondContact O-ND2 3.28Å; L797-N800 WeakPolarHBondContact O-CB 3.49Å; L797-N800 PolarHBondContact O-N 3.22Å; K798-N800 VanDerWaalsContact C-N 3.3Å; K798-N800 PolarHBondContact O-N 2.87Å; N800-M804 WeakPolarHBondContact O-CG 3.37Å; N800-M804 PolarHBondContact O-N 3.21Å; N800-K973 HydrophobicContact CB-CD 4.44Å; N800-K973 PolarHBondContact OD1-NZ 3.48Å
801I75.9Confident76.5Confident29 Ų2968.4 Ų68.415%0.14938%0.378CS..Hα-helixtrans-63.9-48.6176.1-73.2177.3000109.8L797 K798 A803 M804 E805 L970 K973 A974 L977L797-I801 WeakPolarHBondContact O-CG1 3.35Å; L797-I801 PolarHBondContact O-N 3.25Å; K798-I801 PolarHBondContact O-N 3.21Å; I801-A803 VanDerWaalsContact C-N 3.26Å; I801-A803 PolarHBondContact O-N 3.44Å; I801-M804 PolarHBondContact O-N 3.18Å; I801-M804 VanDerWaalsContact O-N 3.1Å; I801-E805 PolarHBondContact O-N 2.88Å; I801-L970 HydrophobicContact CB-CD2 4.23Å; I801-L970 HydrophobicContact CG1-CD2 4.21Å; I801-L970 HydrophobicContact CG2-CD2 3.79Å; I801-K973 HydrophobicContact CG1-CB 4.14Å; I801-A974 HydrophobicContact CD1-CB 4.25Å; I801-L977 HydrophobicContact CD1-CB 3.96Å; I801-L977 HydrophobicContact CD1-CD1 3.62Å; I801-L977 HydrophobicContact CD1-CG 4.33Å
802H79.8Confident76.5Confident146 Ų14668.9 Ų68.968%0.67638%0.38SS*.Hα-helixtrans-64.4-30.7-176.2-155.3-38.2000112.8K798 E799 G806K798-H802 WeakPolarHBondContact O-CB 2.84Å; K798-H802 PolarHBondContact O-N 3.07Å; E799-H802 PolarHBondContact O-N 2.81Å; H802-G806 PolarHBondContact O-N 3.3Å
803A80.5Confident76.6Confident59 Ų5970.4 Ų70.449%0.48838%0.384SS..Hα-helixtrans-69.5-43.3172.100000112.7E799 I801 G806 Q807E799-A803 WeakPolarHBondContact O-CB 3.31Å; E799-A803 PolarHBondContact O-N 3.47Å; I801-A803 VanDerWaalsContact C-N 3.26Å; I801-A803 PolarHBondContact O-N 3.44Å; A803-G806 PolarHBondContact O-N 2.8Å; A803-Q807 PolarHBondContact O-N 3.48Å
804M74Confident76.5Confident16 Ų1671 Ų718%0.07939%0.387CS..Hα-helixtrans-70.8-33.1179.5-67.3-174.281.100112.6N800 I801 G806 Q807 I808 M966 E969 L970 K973N800-M804 WeakPolarHBondContact O-CG 3.37Å; N800-M804 PolarHBondContact O-N 3.21Å; I801-M804 PolarHBondContact O-N 3.18Å; I801-M804 VanDerWaalsContact O-N 3.1Å; M804-G806 VanDerWaalsContact C-N 3.28Å; M804-G806 PolarHBondContact O-N 3.46Å; M804-Q807 PolarHBondContact O-N 3.32Å; M804-Q807 VanDerWaalsContact O-N 3.17Å; M804-I808 PolarHBondContact O-N 2.8Å; M804-M966 HydrophobicContact CE-CE 4.25Å; M804-E969 HydrophobicContact CE-CB 3.71Å; M804-L970 HydrophobicContact CB-CD1 3.62Å; M804-L970 HydrophobicContact CB-CD2 4.3Å; M804-L970 HydrophobicContact CB-CG 3.7Å; M804-K973 HydrophobicContact SD-CD 3.67Å; M804-K973 VanDerWaalsContact SD-CE 3.6Å; M804-K973 PolarHBondContact SD-NZ 2.72Å
805E76.3Confident76.5Confident83 Ų8372.4 Ų72.439%0.38839%0.394SS..Hα-helixtrans-63-36.3173-72.4-153.9109.800111.8I801 I808 A809 L970 K1681I801-E805 PolarHBondContact O-N 2.88Å; E805-I808 PolarHBondContact O-N 3.01Å; E805-A809 WeakPolarHBondContact O-CB 3.48Å; E805-A809 PolarHBondContact O-N 3.04Å; E805-L970 HydrophobicContact CG-CD1 3.95Å; E805-L970 HydrophobicContact CG-CD2 4.27Å; E805-K1681 IonicContact OE1-NZ 2.78Å; E805-K1681 PolarHBondContact OE1-NZ 2.91Å
806G78.3Confident76.3Confident50 Ų5070.8 Ų70.852%0.51539%0.393SS..Hα-helixtrans-65.1-35.7172.700000113.5H802 A803 M804 G810H802-G806 PolarHBondContact O-N 3.3Å; A803-G806 PolarHBondContact O-N 2.8Å; M804-G806 VanDerWaalsContact C-N 3.28Å; M804-G806 PolarHBondContact O-N 3.46Å; G806-G810 PolarHBondContact O-N 3.43Å
807Q77.4Confident76.1Confident112 Ų11273.8 Ų73.852%0.52340%0.402SS..Hα-helixtrans-70.3-42.5175-68.7177.4-37.400112A803 M804 G810 L811 M966A803-Q807 PolarHBondContact O-N 3.48Å; M804-Q807 PolarHBondContact O-N 3.32Å; M804-Q807 VanDerWaalsContact O-N 3.17Å; Q807-G810 PolarHBondContact O-N 2.94Å; Q807-G810 VanDerWaalsContact O-N 3.16Å; Q807-L811 PolarHBondContact O-N 3.38Å; Q807-M966 HydrophobicContact CB-CE 3.61Å; Q807-M966 HydrophobicContact CG-CE 4.47Å
808I72.6Confident75.9Confident9 Ų973.5 Ų73.55%0.04640%0.4CS..Hα-helixtrans-61.9-46.6175.4-69.9-171.4000110.9M804 E805 G810 L811 E812 M966 V967 L970M804-I808 PolarHBondContact O-N 2.8Å; E805-I808 PolarHBondContact O-N 3.01Å; I808-G810 PolarHBondContact O-N 3Å; I808-G810 VanDerWaalsContact O-N 3.17Å; I808-L811 CarbonylContact O-C 3.55Å; I808-L811 PolarHBondContact O-N 2.8Å; I808-E812 HydrophobicContact CG2-CG 3.93Å; I808-E812 WeakPolarHBondContact O-CB 3.34Å; I808-E812 WeakPolarHBondContact O-CG 3.49Å; I808-E812 PolarHBondContact O-N 3.39Å; I808-M966 HydrophobicContact CD1-CB 4.28Å; I808-M966 HydrophobicContact CG1-CB 4.25Å; I808-M966 HydrophobicContact CG1-CE 4.4Å; I808-V967 HydrophobicContact CD1-CB 4.49Å; I808-V967 HydrophobicContact CD1-CG2 3.64Å; I808-L970 HydrophobicContact CD1-CD1 3.49Å; I808-L970 VanDerWaalsContact CD1-CD1 3.49Å; I808-L970 HydrophobicContact CG1-CD1 4.21Å
809A77.5Confident75.4Confident53 Ų5372.7 Ų72.744%0.43840%0.4SS..Hα-helixtrans-59.5-29.3176.100000113.1E805 K813E805-A809 WeakPolarHBondContact O-CB 3.48Å; E805-A809 PolarHBondContact O-N 3.04Å; A809-K813 PolarHBondContact O-N 2.98Å
810G78.6Confident75.2Confident37 Ų3772.3 Ų72.338%0.38140%0.398SS..Hα-helixtrans-68.6-43.717100000113.3G806 Q807 I808 Q814G806-G810 PolarHBondContact O-N 3.43Å; Q807-G810 PolarHBondContact O-N 2.94Å; Q807-G810 VanDerWaalsContact O-N 3.16Å; I808-G810 PolarHBondContact O-N 3Å; I808-G810 VanDerWaalsContact O-N 3.17Å; G810-Q814 PolarHBondContact O-N 3.1Å
811L72.8Confident74.9Confident41 Ų4174.3 Ų74.322%0.21540%0.403CS..Hα-helixtrans-73.3-41.7178.5-66.2171.3000112.5Q807 I808 K813 Q814 L815 V963 M966Q807-L811 PolarHBondContact O-N 3.38Å; I808-L811 CarbonylContact O-C 3.55Å; I808-L811 PolarHBondContact O-N 2.8Å; L811-K813 PolarHBondContact O-N 3.1Å; L811-Q814 CarbonylContact O-C 3.53Å; L811-Q814 WeakPolarHBondContact O-CA 3.42Å; L811-Q814 WeakPolarHBondContact O-CB 3.5Å; L811-Q814 PolarHBondContact O-N 2.9Å; L811-L815 WeakPolarHBondContact O-CB 3.13Å; L811-L815 PolarHBondContact O-N 2.84Å; L811-V963 HydrophobicContact CB-CG2 3.6Å; L811-V963 HydrophobicContact CD1-CG2 4.06Å; L811-V963 HydrophobicContact CG-CG2 4.42Å; L811-M966 HydrophobicContact CD1-SD 3.61Å
812E73.6Confident74.4Confident102 Ų10276.5 Ų76.548%0.47741%0.41SS..Hα-helixtrans-52-41.8172.4-74.3174.8162.600110.9I808 L815 A816I808-E812 HydrophobicContact CG2-CG 3.93Å; I808-E812 WeakPolarHBondContact O-CB 3.34Å; I808-E812 WeakPolarHBondContact O-CG 3.49Å; I808-E812 PolarHBondContact O-N 3.39Å; E812-L815 PolarHBondContact O-N 2.86Å; E812-A816 WeakPolarHBondContact O-CB 3.15Å; E812-A816 PolarHBondContact O-N 2.71Å
813K79.3Confident73.9Confident155 Ų15573.7 Ų73.767%0.67440%0.4SS*.Hα-helixtrans-68.7-34176.3-172.2174.7-178.7178.30113.4A809 L811 L817A809-K813 PolarHBondContact O-N 2.98Å; L811-K813 PolarHBondContact O-N 3.1Å; K813-L817 PolarHBondContact O-N 2.71Å
814Q74.5Confident73.5Confident127 Ų12777.4 Ų77.459%0.59341%0.405SS*.Hα-helixtrans-70.9-40.1172.4-70.4-179-6.300111.5G810 L811 L817 M818G810-Q814 PolarHBondContact O-N 3.1Å; L811-Q814 CarbonylContact O-C 3.53Å; L811-Q814 WeakPolarHBondContact O-CA 3.42Å; L811-Q814 WeakPolarHBondContact O-CB 3.5Å; L811-Q814 PolarHBondContact O-N 2.9Å; Q814-L817 CarbonylContact O-C 3.45Å; Q814-L817 WeakPolarHBondContact O-CB 3.45Å; Q814-L817 PolarHBondContact O-N 2.88Å; Q814-M818 WeakPolarHBondContact O-CG 3.44Å; Q814-M818 PolarHBondContact O-N 2.9Å
815L68.5Low73.1Confident35 Ų3577.4 Ų77.418%0.18341%0.408CS..Hα-helixtrans-67.1-40.7-179.6-148.8166000110.8L811 E812 L817 M818 N819 L956 E960 V963L811-L815 WeakPolarHBondContact O-CB 3.13Å; L811-L815 PolarHBondContact O-N 2.84Å; E812-L815 PolarHBondContact O-N 2.86Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 2.83Å; L815-M818 CarbonylContact O-C 3.49Å; L815-M818 PolarHBondContact O-N 3.23Å; L815-M818 VanDerWaalsContact O-N 3.17Å; L815-N819 WeakPolarHBondContact O-CB 3.45Å; L815-N819 PolarHBondContact O-N 2.82Å; L815-L956 HydrophobicContact CD2-CD1 3.99Å; L815-L956 HydrophobicContact CG-CD1 4.3Å; L815-E960 HydrophobicContact CD1-CG 3.98Å; L815-E960 HydrophobicContact CD2-CG 4.34Å; L815-E960 HydrophobicContact CG-CG 4.38Å; L815-V963 HydrophobicContact CD1-CG2 4.03Å
816A73.7Confident72.6Confident58 Ų5877.2 Ų77.248%0.47941%0.408SS..Hα-helixtrans-56.9-45.2170.100000112.5E812 M818 N819 E820E812-A816 WeakPolarHBondContact O-CB 3.15Å; E812-A816 PolarHBondContact O-N 2.71Å; A816-M818 VanDerWaalsContact C-N 3.32Å; A816-M818 PolarHBondContact O-N 3.26Å; A816-N819 PolarHBondContact O-N 2.72Å; A816-N819 VanDerWaalsContact O-N 3.16Å; A816-E820 PolarHBondContact O-N 2.87Å
817L76.4Confident72.3Confident92 Ų9279.7 Ų79.748%0.48241%0.409SS..Hα-helixtrans-66.5-29.7176.3-110.6158.7000113.5K813 Q814 L815 K821K813-L817 PolarHBondContact O-N 2.71Å; Q814-L817 CarbonylContact O-C 3.45Å; Q814-L817 WeakPolarHBondContact O-CB 3.45Å; Q814-L817 PolarHBondContact O-N 2.88Å; L815-L817 VanDerWaalsContact C-N 3.34Å; L815-L817 PolarHBondContact O-N 2.83Å; L817-K821 WeakPolarHBondContact O-CG 3.42Å
818M68.3Low71.7Confident28 Ų2877 Ų7714%0.13840%0.397CS..Hα-helixtrans-76.8-33.4171.2-70.3-70.9-76.100111.6Q814 L815 A816 K821 Y822 C952 Q955 L956Q814-M818 WeakPolarHBondContact O-CG 3.44Å; Q814-M818 PolarHBondContact O-N 2.9Å; L815-M818 CarbonylContact O-C 3.49Å; L815-M818 PolarHBondContact O-N 3.23Å; L815-M818 VanDerWaalsContact O-N 3.17Å; A816-M818 VanDerWaalsContact C-N 3.32Å; A816-M818 PolarHBondContact O-N 3.26Å; M818-K821 CarbonylContact O-C 3.52Å; M818-K821 WeakPolarHBondContact O-CB 3.29Å; M818-K821 PolarHBondContact O-N 3.34Å; M818-K821 HydrophobicContact SD-CD 4.26Å; M818-Y822 WeakPolarHBondContact O-CB 3.06Å; M818-Y822 PolarHBondContact O-N 2.65Å; M818-C952 WeakPolarHBondContact CE-O 3.32Å; M818-Q955 HydrophobicContact CE-CB 3.96Å; M818-L956 HydrophobicContact CB-CD1 4Å; M818-L956 HydrophobicContact CE-CB 4.21Å
819N68.3Low71.3Confident72 Ų7279.8 Ų79.839%0.38541%0.413SS..Hα-helixtrans-71.5-35.8177.9-161.7-3.5000111.6L815 A816 K821 Y822 N823L815-N819 WeakPolarHBondContact O-CB 3.45Å; L815-N819 PolarHBondContact O-N 2.82Å; A816-N819 PolarHBondContact O-N 2.72Å; A816-N819 VanDerWaalsContact O-N 3.16Å; N819-K821 VanDerWaalsContact C-N 3.34Å; N819-K821 PolarHBondContact O-N 3.13Å; N819-Y822 PolarHBondContact O-N 3.48Å; N819-N823 WeakPolarHBondContact O-CB 3.39Å; N819-N823 PolarHBondContact O-N 2.81Å; N819-N823 PolarHBondContact O-ND2 2.81Å; N819-N823 PolarHBondContact OD1-ND2 2.78Å
820E74.1Confident71Confident139 Ų13981.2 Ų81.265%0.6542%0.419SS*.Hα-helixtrans-58.6-45167.8-73.9-172.513900111.7A816 Y822 N823 F824A816-E820 PolarHBondContact O-N 2.87Å; E820-Y822 VanDerWaalsContact C-N 3.35Å; E820-Y822 PolarHBondContact O-N 2.78Å; E820-N823 PolarHBondContact O-N 3Å; E820-F824 WeakPolarHBondContact O-CB 3.22Å; E820-F824 PolarHBondContact O-N 3.4Å
821K73.1Confident70.8Confident117 Ų11784.5 Ų84.551%0.50943%0.425SS..Hα-helixtrans-64.4-37.6174.8-67.1171.6-176.3176.20112.5L817 M818 N819 F824 A825L817-K821 WeakPolarHBondContact O-CG 3.42Å; M818-K821 CarbonylContact O-C 3.52Å; M818-K821 WeakPolarHBondContact O-CB 3.29Å; M818-K821 PolarHBondContact O-N 3.34Å; M818-K821 HydrophobicContact SD-CD 4.26Å; N819-K821 VanDerWaalsContact C-N 3.34Å; N819-K821 PolarHBondContact O-N 3.13Å; K821-F824 PolarHBondContact O-N 3.08Å; K821-A825 VanDerWaalsContact O-CB 3.32Å; K821-A825 WeakPolarHBondContact O-CB 3.42Å; K821-A825 PolarHBondContact O-N 3.21Å
822Y65.1Low70.3Confident75 Ų7584.9 Ų84.929%0.29443%0.427SS..Hα-helixtrans-66.6-44.2177.2-179.1-96.4000111.6M818 N819 E820 A825 M826 L956M818-Y822 WeakPolarHBondContact O-CB 3.06Å; M818-Y822 PolarHBondContact O-N 2.65Å; N819-Y822 PolarHBondContact O-N 3.48Å; E820-Y822 VanDerWaalsContact C-N 3.35Å; E820-Y822 PolarHBondContact O-N 2.78Å; Y822-A825 CarbonylContact O-C 3.58Å; Y822-A825 PolarHBondContact O-N 2.85Å; Y822-M826 HydrophobicContact CD1-CG 4.31Å; Y822-M826 HydrophobicContact CE1-CG 3.77Å; Y822-M826 HydrophobicContact CE1-SD 4.43Å; Y822-M826 PolarHBondContact O-N 2.98Å; Y822-L956 HydrophobicContact CD2-CD2 3.98Å; Y822-L956 HydrophobicContact CG-CD2 4.15Å
823N69.6Low70.2Confident87 Ų8784 Ų8447%0.46543%0.43SS..Hα-helixtrans-63.9-41.1174.8-74.1-61.9000111.8N819 E820 A825 M826 I827N819-N823 WeakPolarHBondContact O-CB 3.39Å; N819-N823 PolarHBondContact O-N 2.81Å; N819-N823 PolarHBondContact O-ND2 2.81Å; N819-N823 PolarHBondContact OD1-ND2 2.78Å; E820-N823 PolarHBondContact O-N 3Å; N823-A825 VanDerWaalsContact C-N 3.34Å; N823-A825 PolarHBondContact O-N 2.87Å; N823-M826 PolarHBondContact O-N 3.32Å; N823-I827 WeakPolarHBondContact O-CG1 3.14Å; N823-I827 PolarHBondContact O-N 2.88Å
824F71.6Confident69.9Low137 Ų13783.7 Ų83.760%0.60143%0.431SS*.Hα-helixtrans-61.6-41.3172.3-174.9-103000112.1E820 K821 I827 L828E820-F824 WeakPolarHBondContact O-CB 3.22Å; E820-F824 PolarHBondContact O-N 3.4Å; K821-F824 PolarHBondContact O-N 3.08Å; F824-I827 PolarHBondContact O-N 3.03Å; F824-L828 HydrophobicContact CD1-CD1 4.03Å; F824-L828 HydrophobicContact CE1-CD1 3.62Å; F824-L828 HydrophobicContact CE1-CG 4.49Å; F824-L828 HydrophobicContact CZ-CD1 4.21Å; F824-L828 PolarHBondContact O-N 2.72Å
825A65.3Low69.7Low16 Ų1682.4 Ų82.413%0.13243%0.428CS..Hα-helixtrans-66.9-37174.900000112.9K821 Y822 N823 I827 L828 D829 Y949K821-A825 VanDerWaalsContact O-CB 3.32Å; K821-A825 WeakPolarHBondContact O-CB 3.42Å; K821-A825 PolarHBondContact O-N 3.21Å; Y822-A825 CarbonylContact O-C 3.58Å; Y822-A825 PolarHBondContact O-N 2.85Å; N823-A825 VanDerWaalsContact C-N 3.34Å; N823-A825 PolarHBondContact O-N 2.87Å; A825-I827 VanDerWaalsContact C-N 3.32Å; A825-I827 PolarHBondContact O-N 2.7Å; A825-L828 PolarHBondContact O-N 3.11Å; A825-D829 WeakPolarHBondContact O-CB 3.3Å; A825-D829 PolarHBondContact O-N 2.85Å; A825-Y949 HydrophobicContact CB-CD2 3.9Å; A825-Y949 HydrophobicContact CB-CE2 3.87Å
826M64.8Low69.6Low80 Ų8084.9 Ų84.939%0.39444%0.439SS..Hα-helixtrans-62.3-35.6172.3-90.5-108.960.600112.7Y822 N823 D829 S830Y822-M826 HydrophobicContact CD1-CG 4.31Å; Y822-M826 HydrophobicContact CE1-CG 3.77Å; Y822-M826 HydrophobicContact CE1-SD 4.43Å; Y822-M826 PolarHBondContact O-N 2.98Å; N823-M826 PolarHBondContact O-N 3.32Å; M826-D829 PolarHBondContact O-N 2.91Å; M826-S830 PolarHBondContact O-N 2.95Å
827I73.4Confident69.5Low102 Ų10288.5 Ų88.552%0.52344%0.444SS..Hα-helixtrans-67.7-38.3174.8-67165.4000110.5N823 F824 A825 S830N823-I827 WeakPolarHBondContact O-CG1 3.14Å; N823-I827 PolarHBondContact O-N 2.88Å; F824-I827 PolarHBondContact O-N 3.03Å; A825-I827 VanDerWaalsContact C-N 3.32Å; A825-I827 PolarHBondContact O-N 2.7Å; I827-S830 PolarHBondContact O-OG 3.49Å
828L65.2Low69.3Low54 Ų5493.6 Ų93.628%0.28346%0.457SS..Hα-helixtrans-71-37.3173.6-69.5170000112.4F824 A825 S830 Q831 L832 F945F824-L828 HydrophobicContact CD1-CD1 4.03Å; F824-L828 HydrophobicContact CE1-CD1 3.62Å; F824-L828 HydrophobicContact CE1-CG 4.49Å; F824-L828 HydrophobicContact CZ-CD1 4.21Å; F824-L828 PolarHBondContact O-N 2.72Å; A825-L828 PolarHBondContact O-N 3.11Å; L828-S830 VanDerWaalsContact C-N 3.27Å; L828-S830 PolarHBondContact O-N 3.5Å; L828-Q831 PolarHBondContact O-N 2.99Å; L828-Q831 VanDerWaalsContact O-N 3.12Å; L828-L832 PolarHBondContact O-N 2.97Å; L828-F945 HydrophobicContact CD1-CZ 3.75Å
829D64Low69.4Low69 Ų6996.4 Ų96.437%0.36948%0.476SS..Hα-helixtrans-68.6-25.4178.6-15647.3000112.2A825 M826 P833A825-D829 WeakPolarHBondContact O-CB 3.3Å; A825-D829 PolarHBondContact O-N 2.85Å; M826-D829 PolarHBondContact O-N 2.91Å; D829-P833 VanDerWaalsContact O-CD 3.31Å; D829-P833 WeakPolarHBondContact O-CD 3.45Å
830S70.7Confident69.6Low83 Ų8396.3 Ų96.358%0.5848%0.475SS*.Hα-helixtrans-78-21.117174.10000114.1M826 I827 L828 P833M826-S830 PolarHBondContact O-N 2.95Å; I827-S830 PolarHBondContact O-OG 3.49Å; L828-S830 VanDerWaalsContact C-N 3.27Å; L828-S830 PolarHBondContact O-N 3.5Å; S830-P833 WeakPolarHBondContact O-CD 3.32Å
831Q74.5Confident69.6Low106 Ų10693.2 Ų93.250%0.49546%0.463SS..Hα-helixtrans-89.1-20.6172.4-66.8-179.5-16.100112.7L828 P833 E834 L835L828-Q831 PolarHBondContact O-N 2.99Å; L828-Q831 VanDerWaalsContact O-N 3.12Å; Q831-P833 VanDerWaalsContact C-CD 3.43Å; Q831-E834 PolarHBondContact O-N 2.84Å; Q831-L835 PolarHBondContact O-N 3.13Å
832L62.7Low69.6Low48 Ų4891.2 Ų91.225%0.25146%0.456SS..Hα-helixtrans-57-35.7-179.3-148.574.4000114.5L828 L835 M836L828-L832 PolarHBondContact O-N 2.97Å; L832-L835 PolarHBondContact O-N 3.3Å; L832-M836 HydrophobicContact CD2-CE 3.79Å; L832-M836 HydrophobicContact CG-CE 4.13Å; L832-M836 WeakPolarHBondContact O-CB 3.45Å; L832-M836 WeakPolarHBondContact O-CG 3.44Å; L832-M836 PolarHBondContact O-N 2.86Å
833P71.2Confident69.9Low83 Ų8393.2 Ų93.254%0.53947%0.466SS..Hα-helixtrans-65.7-38.1177-24.235.6000113.8D829 S830 Q831 M836 K837D829-P833 VanDerWaalsContact O-CD 3.31Å; D829-P833 WeakPolarHBondContact O-CD 3.45Å; S830-P833 WeakPolarHBondContact O-CD 3.32Å; Q831-P833 VanDerWaalsContact C-CD 3.43Å; P833-M836 PolarHBondContact O-N 3.5Å; P833-K837 WeakPolarHBondContact O-CB 3.29Å; P833-K837 PolarHBondContact O-N 3.2Å
834E71.9Confident70.2Confident149 Ų14994.9 Ų94.970%0.69647%0.471SS*.Hα-helixtrans-68-41.3175.3-67.7-163.312600110.9Q831 K837 W838Q831-E834 PolarHBondContact O-N 2.84Å; E834-K837 PolarHBondContact O-N 3.12Å; E834-W838 PolarHBondContact O-N 2.67Å
835L70.3Confident70.4Confident101 Ų10192.3 Ų92.353%0.52947%0.466SS..Hα-helixtrans-63-44.7174-119.376000112.1Q831 L832 K837 W838 V839Q831-L835 PolarHBondContact O-N 3.13Å; L832-L835 PolarHBondContact O-N 3.3Å; L835-K837 VanDerWaalsContact C-N 3.34Å; L835-K837 PolarHBondContact O-N 3.05Å; L835-W838 PolarHBondContact O-N 2.97Å; L835-V839 WeakPolarHBondContact O-CB 3.45Å; L835-V839 VanDerWaalsContact O-CG2 3.32Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å; L835-V839 PolarHBondContact O-N 2.99Å
836M67.3Low70.4Confident87 Ų8794.9 Ų94.943%0.42947%0.472SS..Hα-helixtrans-64.1-38.6177.1-79.4-167.8-179.600111.9L832 P833 V839 N840L832-M836 HydrophobicContact CD2-CE 3.79Å; L832-M836 HydrophobicContact CG-CE 4.13Å; L832-M836 WeakPolarHBondContact O-CB 3.45Å; L832-M836 WeakPolarHBondContact O-CG 3.44Å; L832-M836 PolarHBondContact O-N 2.86Å; P833-M836 PolarHBondContact O-N 3.5Å; M836-V839 PolarHBondContact O-N 3.46Å; M836-N840 WeakPolarHBondContact O-CB 3.45Å; M836-N840 PolarHBondContact O-N 3.43Å
837K72.6Confident70.8Confident134 Ų13496 Ų9658%0.58348%0.479SS*.Hα-helixtrans-60.1-52.6172.6-177-178.9174.7-1750110.6P833 E834 L835 V839 N840 D841P833-K837 WeakPolarHBondContact O-CB 3.29Å; P833-K837 PolarHBondContact O-N 3.2Å; E834-K837 PolarHBondContact O-N 3.12Å; L835-K837 VanDerWaalsContact C-N 3.34Å; L835-K837 PolarHBondContact O-N 3.05Å; K837-V839 VanDerWaalsContact C-N 3.3Å; K837-V839 PolarHBondContact O-N 3.16Å; K837-N840 PolarHBondContact O-N 2.97Å; K837-D841 WeakPolarHBondContact CE-OD2 3.46Å; K837-D841 WeakPolarHBondContact O-CB 3.1Å; K837-D841 PolarHBondContact O-N 3.44Å
838W72.2Confident70.8Confident198 Ų19898.8 Ų98.875%0.7548%0.484SS*.Hα-helixtrans-53.8-45.6176.7-114.973.9000112.6E834 L835 N840 E842E834-W838 PolarHBondContact O-N 2.67Å; L835-W838 PolarHBondContact O-N 2.97Å; W838-N840 VanDerWaalsContact C-N 3.33Å; W838-N840 PolarHBondContact O-N 3.12Å; W838-E842 VanDerWaalsContact O-CB 3.28Å; W838-E842 WeakPolarHBondContact O-CB 3.39Å; W838-E842 PolarHBondContact O-N 3.32Å
839V69.3Low71.2Confident88 Ų88100.4 Ų100.453%0.53349%0.492SS..Hα-helixtrans-66.5-32.6178.2169.30000112.3L835 M836 K837 K843L835-V839 WeakPolarHBondContact O-CB 3.45Å; L835-V839 VanDerWaalsContact O-CG2 3.32Å; L835-V839 WeakPolarHBondContact O-CG2 3.41Å; L835-V839 PolarHBondContact O-N 2.99Å; M836-V839 PolarHBondContact O-N 3.46Å; K837-V839 VanDerWaalsContact C-N 3.3Å; K837-V839 PolarHBondContact O-N 3.16Å; V839-K843 WeakPolarHBondContact O-CB 2.82Å; V839-K843 PolarHBondContact O-N 3.36Å
840N72Confident71.6Confident70 Ų70103.1 Ų103.137%0.37450%0.502SS..Hα-helixtrans-82.1-41.8179.8-157.667.6000112.4M836 K837 W838 E842 K843 E844M836-N840 WeakPolarHBondContact O-CB 3.45Å; M836-N840 PolarHBondContact O-N 3.43Å; K837-N840 PolarHBondContact O-N 2.97Å; W838-N840 VanDerWaalsContact C-N 3.33Å; W838-N840 PolarHBondContact O-N 3.12Å; N840-E842 VanDerWaalsContact C-N 3.27Å; N840-E842 PolarHBondContact O-N 2.79Å; N840-K843 WeakPolarHBondContact O-CA 3.35Å; N840-K843 WeakPolarHBondContact O-CB 3.49Å; N840-K843 PolarHBondContact O-N 3.33Å; N840-K843 VanDerWaalsContact O-N 3.08Å; N840-E844 PolarHBondContact O-N 3.33Å
841D74.9Confident71.8Confident73 Ų73102 Ų10239%0.3950%0.498SS..Hα-helixtrans-55-45.3171.4-64.6-6000109.9K837 E844 V845K837-D841 WeakPolarHBondContact CE-OD2 3.46Å; K837-D841 WeakPolarHBondContact O-CB 3.1Å; K837-D841 PolarHBondContact O-N 3.44Å; D841-E844 PolarHBondContact O-N 3.19Å; D841-V845 WeakPolarHBondContact O-CG2 3.37Å; D841-V845 PolarHBondContact O-N 2.67Å; D841-V845 VanDerWaalsContact O-N 3.1Å
842E72Confident71.8Confident76 Ų76100.7 Ų100.736%0.35549%0.494SS..Hα-helixtrans-73-26.4178.1-156.9-167.1-157.400113.2W838 N840 R846 K935W838-E842 VanDerWaalsContact O-CB 3.28Å; W838-E842 WeakPolarHBondContact O-CB 3.39Å; W838-E842 PolarHBondContact O-N 3.32Å; N840-E842 VanDerWaalsContact C-N 3.27Å; N840-E842 PolarHBondContact O-N 2.79Å; E842-R846 WeakPolarHBondContact O-CB 3.42Å; E842-R846 PolarHBondContact O-N 2.79Å; E842-K935 IonicContact OE1-NZ 3.76Å; E842-K935 PolarHBondContact OE1-NZ 2.98Å; E842-K935 WeakPolarHBondContact OE2-CE 3.32Å; E842-K935 IonicContact OE2-NZ 2.93Å; E842-K935 PolarHBondContact OE2-NZ 2.57Å
843K72.4Confident72.3Confident116 Ų116102.6 Ų102.650%0.50451%0.508SS..Hα-helixtrans-70.8-38.4171.9180-171.5173.1-163.40111.5V839 N840 R846 I847V839-K843 WeakPolarHBondContact O-CB 2.82Å; V839-K843 PolarHBondContact O-N 3.36Å; N840-K843 WeakPolarHBondContact O-CA 3.35Å; N840-K843 WeakPolarHBondContact O-CB 3.49Å; N840-K843 PolarHBondContact O-N 3.33Å; N840-K843 VanDerWaalsContact O-N 3.08Å; K843-R846 WeakPolarHBondContact O-CB 3.31Å; K843-R846 PolarHBondContact O-N 3.18Å; K843-I847 HydrophobicContact CG-CD1 4.15Å; K843-I847 VanDerWaalsContact O-CG1 3.31Å; K843-I847 WeakPolarHBondContact O-CG1 3.18Å; K843-I847 PolarHBondContact O-N 3.05Å
844E75.5Confident72.4Confident123 Ų123100.7 Ų100.758%0.57550%0.5SS*.Hα-helixtrans-65.3-44.6172.9-72.3-174.2-173.600111.4N840 D841 R846 I847 Y848N840-E844 PolarHBondContact O-N 3.33Å; D841-E844 PolarHBondContact O-N 3.19Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.48Å; E844-I847 PolarHBondContact O-N 3.43Å; E844-I847 VanDerWaalsContact O-N 3.13Å; E844-Y848 WeakPolarHBondContact O-CB 3.39Å; E844-Y848 PolarHBondContact O-N 3.37Å
845V75.1Confident72.5Confident82 Ų8299.5 Ų99.550%0.49749%0.492SS..Hα-helixtrans-57.9-40.8172.2171.60000111.4D841 L849D841-V845 WeakPolarHBondContact O-CG2 3.37Å; D841-V845 PolarHBondContact O-N 2.67Å; D841-V845 VanDerWaalsContact O-N 3.1Å; V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 WeakPolarHBondContact O-CB 3.44Å; V845-L849 VanDerWaalsContact O-CG 3.32Å; V845-L849 WeakPolarHBondContact O-CG 3.44Å; V845-L849 PolarHBondContact O-N 3.14Å
846R66.8Low72.7Confident70 Ų7099.4 Ų99.426%0.26449%0.491SS..Hα-helixtrans-64.3-43.8172.8-86.3178.7161.6-160-2.8112.9E842 K843 E844 Y848 L849 H850 E931E842-R846 WeakPolarHBondContact O-CB 3.42Å; E842-R846 PolarHBondContact O-N 2.79Å; K843-R846 WeakPolarHBondContact O-CB 3.31Å; K843-R846 PolarHBondContact O-N 3.18Å; E844-R846 VanDerWaalsContact C-N 3.28Å; E844-R846 PolarHBondContact O-N 3.48Å; R846-Y848 VanDerWaalsContact C-N 3.34Å; R846-L849 PolarHBondContact O-N 2.95Å; R846-H850 VanDerWaalsContact O-CB 3.22Å; R846-H850 WeakPolarHBondContact O-CB 3.5Å; R846-H850 PolarHBondContact O-N 3.23Å; R846-E931 IonicContact CZ-OE1 2.81Å; R846-E931 VanDerWaalsContact CZ-OE1 3.31Å; R846-E931 IonicContact NE-OE1 2.79Å; R846-E931 PolarHBondContact NE-OE1 3.31Å; R846-E931 VanDerWaalsContact NE-OE1 3.15Å; R846-E931 VanDerWaalsContact NH2-C 3.27Å; R846-E931 VanDerWaalsContact NH2-CD 3.31Å; R846-E931 PolarHBondContact NH2-O 3.28Å; R846-E931 IonicContact NH2-OE1 3.9Å; R846-E931 PolarHBondContact NH2-OE1 3.44Å
847I71.9Confident72.9Confident105 Ų10597.6 Ų97.654%0.53849%0.49SS..Hα-helixtrans-62.3-44177.6-71163.6000110.1K843 E844 H850 A851K843-I847 HydrophobicContact CG-CD1 4.15Å; K843-I847 VanDerWaalsContact O-CG1 3.31Å; K843-I847 WeakPolarHBondContact O-CG1 3.18Å; K843-I847 PolarHBondContact O-N 3.05Å; E844-I847 PolarHBondContact O-N 3.43Å; E844-I847 VanDerWaalsContact O-N 3.13Å; I847-H850 PolarHBondContact O-N 3.33Å; I847-A851 VanDerWaalsContact O-CB 3.32Å; I847-A851 WeakPolarHBondContact O-CB 3.41Å; I847-A851 PolarHBondContact O-N 3.15Å
848Y74.9Confident72.9Confident160 Ų16097.9 Ų97.963%0.62749%0.493SS*.Hα-helixtrans-60.2-49.2175.2-179.9-99000112.3E844 R846 H850 A851 L852E844-Y848 WeakPolarHBondContact O-CB 3.39Å; E844-Y848 PolarHBondContact O-N 3.37Å; R846-Y848 VanDerWaalsContact C-N 3.34Å; Y848-H850 VanDerWaalsContact C-N 3.33Å; Y848-H850 PolarHBondContact O-N 2.75Å; Y848-A851 PolarHBondContact O-N 3.43Å; Y848-L852 WeakPolarHBondContact O-CB 3.37Å; Y848-L852 PolarHBondContact O-N 2.86Å
849L72.8Confident72.9Confident88 Ų8893.6 Ų93.646%0.46148%0.482SS..Hα-helixtrans-64.4-35.8176.8-74.1170.9000112.6V845 R846 T853V845-L849 HydrophobicContact CG1-CD1 3.96Å; V845-L849 WeakPolarHBondContact O-CB 3.44Å; V845-L849 VanDerWaalsContact O-CG 3.32Å; V845-L849 WeakPolarHBondContact O-CG 3.44Å; V845-L849 PolarHBondContact O-N 3.14Å; R846-L849 PolarHBondContact O-N 2.95Å; L849-T853 VanDerWaalsContact O-CB 3.3Å; L849-T853 WeakPolarHBondContact O-CB 3.43Å; L849-T853 PolarHBondContact O-N 3.19Å; L849-T853 PolarHBondContact O-OG1 3.33Å
850H73Confident73Confident125 Ų12592.4 Ų92.458%0.57948%0.475SS*.Hα-helixtrans-74.4-33.6179.1-155.5-54.8000111.8R846 I847 Y848 A854R846-H850 VanDerWaalsContact O-CB 3.22Å; R846-H850 WeakPolarHBondContact O-CB 3.5Å; R846-H850 PolarHBondContact O-N 3.23Å; I847-H850 PolarHBondContact O-N 3.33Å; Y848-H850 VanDerWaalsContact C-N 3.33Å; Y848-H850 PolarHBondContact O-N 2.75Å; H850-A854 VanDerWaalsContact O-CB 3.27Å; H850-A854 WeakPolarHBondContact O-CB 3.47Å; H850-A854 PolarHBondContact O-N 3.06Å
851A75.2Confident72.8Confident59 Ų5992.8 Ų92.849%0.48847%0.474SS..Hα-helixtrans-69.3-42.7170.800000111.8I847 Y848 T853 A854 K855I847-A851 VanDerWaalsContact O-CB 3.32Å; I847-A851 WeakPolarHBondContact O-CB 3.41Å; I847-A851 PolarHBondContact O-N 3.15Å; Y848-A851 PolarHBondContact O-N 3.43Å; A851-T853 VanDerWaalsContact C-N 3.34Å; A851-T853 PolarHBondContact O-N 3.02Å; A851-A854 PolarHBondContact O-N 3.08Å; A851-K855 WeakPolarHBondContact O-CB 2.92Å; A851-K855 PolarHBondContact O-N 2.86Å
852L74.3Confident72.3Confident79 Ų7992 Ų9241%0.41447%0.474SS..Hα-helixtrans-61-43.9173.9-171.570.1000111.1Y848 K855 I856Y848-L852 WeakPolarHBondContact O-CB 3.37Å; Y848-L852 PolarHBondContact O-N 2.86Å; L852-K855 PolarHBondContact O-N 3.22Å; L852-I856 HydrophobicContact CG-CD1 4.19Å; L852-I856 VanDerWaalsContact O-CG1 3.29Å; L852-I856 WeakPolarHBondContact O-CG1 3.05Å; L852-I856 PolarHBondContact O-N 3.32Å
853T72.9Confident71.8Confident88 Ų8893.6 Ų93.654%0.5448%0.483SS..Hα-helixtrans-66-40.3176.3-56.70000111.8L849 A851 A857L849-T853 VanDerWaalsContact O-CB 3.3Å; L849-T853 WeakPolarHBondContact O-CB 3.43Å; L849-T853 PolarHBondContact O-N 3.19Å; L849-T853 PolarHBondContact O-OG1 3.33Å; A851-T853 VanDerWaalsContact C-N 3.34Å; A851-T853 PolarHBondContact O-N 3.02Å; T853-A857 WeakPolarHBondContact O-CB 3.31Å; T853-A857 PolarHBondContact O-N 2.88Å
854A73.1Confident71.3Confident44 Ų4492 Ų9236%0.36448%0.476SS..Hα-helixtrans-63.3-44.5175.100000111.6H850 A851 A857 E858H850-A854 VanDerWaalsContact O-CB 3.27Å; H850-A854 WeakPolarHBondContact O-CB 3.47Å; H850-A854 PolarHBondContact O-N 3.06Å; A851-A854 PolarHBondContact O-N 3.08Å; A854-A857 CarbonylContact O-C 3.43Å; A854-A857 WeakPolarHBondContact O-CA 3.18Å; A854-A857 WeakPolarHBondContact O-CB 3.31Å; A854-A857 PolarHBondContact O-N 3.41Å; A854-A857 VanDerWaalsContact O-N 3.1Å; A854-E858 WeakPolarHBondContact O-CG 3.49Å; A854-E858 PolarHBondContact O-N 3.26Å
855K74.6Confident70.6Confident124 Ų12492.4 Ų92.454%0.53948%0.478SS..Hα-helixtrans-63.7-42.7177.8-170.2173.2-177.9177.20112.6A851 L852 A857 E858 E859A851-K855 WeakPolarHBondContact O-CB 2.92Å; A851-K855 PolarHBondContact O-N 2.86Å; L852-K855 PolarHBondContact O-N 3.22Å; K855-A857 VanDerWaalsContact C-N 3.28Å; K855-A857 PolarHBondContact O-N 2.88Å; K855-E858 PolarHBondContact O-N 3.49Å; K855-E859 PolarHBondContact O-N 3.41Å
856I72.9Confident69.7Low98 Ų9895.7 Ų95.750%0.50349%0.488SS..Hα-helixtrans-62.7-37.3172.6-67.8166.6000110.7L852 V860L852-I856 HydrophobicContact CG-CD1 4.19Å; L852-I856 VanDerWaalsContact O-CG1 3.29Å; L852-I856 WeakPolarHBondContact O-CG1 3.05Å; L852-I856 PolarHBondContact O-N 3.32Å; I856-V860 WeakPolarHBondContact O-CB 3.37Å; I856-V860 VanDerWaalsContact O-CG2 3.27Å; I856-V860 WeakPolarHBondContact O-CG2 3.45Å; I856-V860 PolarHBondContact O-N 2.8Å
857A72.4Confident69.2Low50 Ų5099.4 Ų99.441%0.41351%0.508SS..Hα-helixtrans-67.2-39.9174.700000112.4T853 A854 K855 V860 E861T853-A857 WeakPolarHBondContact O-CB 3.31Å; T853-A857 PolarHBondContact O-N 2.88Å; A854-A857 CarbonylContact O-C 3.43Å; A854-A857 WeakPolarHBondContact O-CA 3.18Å; A854-A857 WeakPolarHBondContact O-CB 3.31Å; A854-A857 PolarHBondContact O-N 3.41Å; A854-A857 VanDerWaalsContact O-N 3.1Å; K855-A857 VanDerWaalsContact C-N 3.28Å; K855-A857 PolarHBondContact O-N 2.88Å; A857-V860 CarbonylContact O-C 3.58Å; A857-V860 PolarHBondContact O-N 3.36Å; A857-E861 WeakPolarHBondContact O-CB 3.28Å; A857-E861 PolarHBondContact O-N 2.98Å
858E71.8Confident68.1Low139 Ų139100.1 Ų100.165%0.6551%0.509SS*.Hα-helixtrans-66.3-41.1175.1-73.6-178.6144.900112.4A854 K855 V860 E861 S862A854-E858 WeakPolarHBondContact O-CG 3.49Å; A854-E858 PolarHBondContact O-N 3.26Å; K855-E858 PolarHBondContact O-N 3.49Å; E858-V860 VanDerWaalsContact C-N 3.31Å; E858-V860 PolarHBondContact O-N 3.21Å; E858-E861 PolarHBondContact O-N 3.41Å; E858-S862 WeakPolarHBondContact O-CB 3.4Å; E858-S862 PolarHBondContact O-N 3.17Å
859E73.4Confident67.1Low109 Ų10997 Ų9751%0.50952%0.517SS..Hα-helixtrans-63.5-37.7173.3-72.8176.1-165.200111.4K855 M863K855-E859 PolarHBondContact O-N 3.41Å; E859-M863 WeakPolarHBondContact O-CE 3.5Å; E859-M863 WeakPolarHBondContact O-CG 3.37Å; E859-M863 PolarHBondContact O-N 3.07Å
860V72.1Confident65.8Low63 Ų6397.2 Ų97.238%0.38253%0.531SS..Hα-helixtrans-71.1-38.1173.9168.20000112.8I856 A857 E858 M863 K864I856-V860 WeakPolarHBondContact O-CB 3.37Å; I856-V860 VanDerWaalsContact O-CG2 3.27Å; I856-V860 WeakPolarHBondContact O-CG2 3.45Å; I856-V860 PolarHBondContact O-N 2.8Å; A857-V860 CarbonylContact O-C 3.58Å; A857-V860 PolarHBondContact O-N 3.36Å; E858-V860 VanDerWaalsContact C-N 3.31Å; E858-V860 PolarHBondContact O-N 3.21Å; V860-M863 HydrophobicContact CG2-CE 4.12Å; V860-M863 PolarHBondContact O-N 3.26Å; V860-K864 WeakPolarHBondContact O-CG 3.47Å; V860-K864 PolarHBondContact O-N 2.86Å
861E66.2Low64.3Low78 Ų7895.3 Ų95.336%0.36453%0.532SS..Hα-helixtrans-74.2-32177.1-135.367.8-152.300111.7A857 E858 K864 Q865A857-E861 WeakPolarHBondContact O-CB 3.28Å; A857-E861 PolarHBondContact O-N 2.98Å; E858-E861 PolarHBondContact O-N 3.41Å; E861-K864 VanDerWaalsContact CD-CD 3.44Å; E861-K864 HydrophobicContact CG-CD 4.37Å; E861-K864 WeakPolarHBondContact O-CB 3.46Å; E861-K864 PolarHBondContact O-N 3.18Å; E861-K864 WeakPolarHBondContact OE1-CD 3.27Å; E861-K864 IonicContact OE1-NZ 3.34Å; E861-K864 PolarHBondContact OE1-NZ 3.11Å; E861-K864 IonicContact OE2-NZ 2.69Å; E861-K864 PolarHBondContact OE2-NZ 3.07Å; E861-Q865 WeakPolarHBondContact O-CB 3.38Å; E861-Q865 VanDerWaalsContact O-CG 3.3Å; E861-Q865 WeakPolarHBondContact O-CG 3.04Å; E861-Q865 PolarHBondContact O-N 3.09Å
862S65.6Low62.2Low57 Ų57101.4 Ų101.440%0.39955%0.55SS.*Hα-helixtrans-60-49.9167.7177.70000111.1E858 K864 Q865 Q866E858-S862 WeakPolarHBondContact O-CB 3.4Å; E858-S862 PolarHBondContact O-N 3.17Å; S862-K864 VanDerWaalsContact C-N 3.27Å; S862-K864 PolarHBondContact O-N 2.75Å; S862-Q865 PolarHBondContact O-N 2.78Å; S862-Q865 VanDerWaalsContact O-N 3.14Å; S862-Q866 WeakPolarHBondContact O-CG 3.45Å; S862-Q866 PolarHBondContact O-N 2.85Å
863M61.1Low60.3Low108 Ų108102.7 Ų102.753%0.53257%0.566SS.*Hα-helixtrans-60.4-33.4173.6-76.6-172.1-7600113E859 V860 Q867E859-M863 WeakPolarHBondContact O-CE 3.5Å; E859-M863 WeakPolarHBondContact O-CG 3.37Å; E859-M863 PolarHBondContact O-N 3.07Å; V860-M863 HydrophobicContact CG2-CE 4.12Å; V860-M863 PolarHBondContact O-N 3.26Å; M863-Q867 WeakPolarHBondContact O-CG 3.49Å; M863-Q867 PolarHBondContact O-N 2.81Å
864K62.5Low58.6Low82 Ų82107.6 Ų107.636%0.35758%0.583SS.*Hα-helixtrans-71.5-40.9172-74.5167.8179.7167.20112.9V860 E861 S862 Q866 Q867 Q868V860-K864 WeakPolarHBondContact O-CG 3.47Å; V860-K864 PolarHBondContact O-N 2.86Å; E861-K864 VanDerWaalsContact CD-CD 3.44Å; E861-K864 HydrophobicContact CG-CD 4.37Å; E861-K864 WeakPolarHBondContact O-CB 3.46Å; E861-K864 PolarHBondContact O-N 3.18Å; E861-K864 WeakPolarHBondContact OE1-CD 3.27Å; E861-K864 IonicContact OE1-NZ 3.34Å; E861-K864 PolarHBondContact OE1-NZ 3.11Å; E861-K864 IonicContact OE2-NZ 2.69Å; E861-K864 PolarHBondContact OE2-NZ 3.07Å; S862-K864 VanDerWaalsContact C-N 3.27Å; S862-K864 PolarHBondContact O-N 2.75Å; K864-Q866 VanDerWaalsContact C-N 3.3Å; K864-Q866 PolarHBondContact O-N 2.95Å; K864-Q867 CarbonylContact O-C 3.52Å; K864-Q867 WeakPolarHBondContact O-CA 3.35Å; K864-Q867 WeakPolarHBondContact O-CB 3.49Å; K864-Q867 PolarHBondContact O-N 3.01Å; K864-Q868 WeakPolarHBondContact O-CB 3.29Å; K864-Q868 WeakPolarHBondContact O-CG 3.3Å; K864-Q868 PolarHBondContact O-N 3.26Å
865Q59.3Low56.8Low133 Ų133110.7 Ų110.762%0.62160%0.601SS**Hα-helixtrans-66.9-35.7-179.4-73.8175.321.800110.9E861 S862 Q867 Q868 A869E861-Q865 WeakPolarHBondContact O-CB 3.38Å; E861-Q865 VanDerWaalsContact O-CG 3.3Å; E861-Q865 WeakPolarHBondContact O-CG 3.04Å; E861-Q865 PolarHBondContact O-N 3.09Å; S862-Q865 PolarHBondContact O-N 2.78Å; S862-Q865 VanDerWaalsContact O-N 3.14Å; Q865-Q867 PolarHBondContact O-N 2.83Å; Q865-Q868 PolarHBondContact O-N 2.95Å; Q865-A869 PolarHBondContact O-N 2.72Å
866Q58Low54.9Low151 Ų151112.4 Ų112.471%0.70662%0.616SS**Hα-helixtrans-61.1-22.8167.1-69.2-178.80.600113.6S862 K864S862-Q866 WeakPolarHBondContact O-CG 3.45Å; S862-Q866 PolarHBondContact O-N 2.85Å; K864-Q866 VanDerWaalsContact C-N 3.3Å; K864-Q866 PolarHBondContact O-N 2.95Å
867Q55Low53.2Low148 Ų148112.3 Ų112.369%0.69262%0.624SS**Hα-helixtrans-94.4-27.5173.6-68.6178.15.800113.9M863 K864 Q865M863-Q867 WeakPolarHBondContact O-CG 3.49Å; M863-Q867 PolarHBondContact O-N 2.81Å; K864-Q867 CarbonylContact O-C 3.52Å; K864-Q867 WeakPolarHBondContact O-CA 3.35Å; K864-Q867 WeakPolarHBondContact O-CB 3.49Å; K864-Q867 PolarHBondContact O-N 3.01Å; Q865-Q867 PolarHBondContact O-N 2.83Å
868Q48.7Very low51.7Low120 Ų120118.9 Ų118.956%0.56165%0.646SS**Hα-helixtrans-89-7.1-175.2-74-170.3-43.900114.5K864 Q865 A870 S871K864-Q868 WeakPolarHBondContact O-CB 3.29Å; K864-Q868 WeakPolarHBondContact O-CG 3.3Å; K864-Q868 PolarHBondContact O-N 3.26Å; Q865-Q868 PolarHBondContact O-N 2.95Å; Q868-A870 PolarHBondContact O-N 3.05Å; Q868-S871 PolarHBondContact O-N 3.36Å; Q868-S871 PolarHBondContact O-OG 2.81Å
869A53.4Low50.6Low95 Ų95117.6 Ų117.679%0.78565%0.652SS**THydrogen-bonded Turntrans-56-7.9161.200000113.9Q865Q865-A869 PolarHBondContact O-N 2.72Å
870A46.6Very low49Very low92 Ų92117.2 Ų117.276%0.7665%0.653SS**THydrogen-bonded Turntrans-94.42.5178.600000115.8Q868Q868-A870 PolarHBondContact O-N 3.05Å
871S40.3Very low47.6Very low84 Ų84118 Ų11859%0.58766%0.658SS**  trans-134.9130.8-173.3520000114.6Q868Q868-S871 PolarHBondContact O-N 3.36Å; Q868-S871 PolarHBondContact O-OG 2.81Å
872Q32.7Very low46.6Very low187 Ų187118.3 Ų118.387%0.87467%0.667SS**  trans-116.7159.4-165.7-61.5168.2-23.100114.3
873S34.3Very low45.8Very low107 Ų107121.8 Ų121.875%0.74869%0.686SS**  trans91.1143.214680.80000123.2
874Q36.8Very low45.3Very low191 Ų191122.2 Ų122.289%0.89370%0.7SS**  trans84.3161.5160-61179.20.200120.6
875S35.6Very low44.5Very low108 Ų108121.9 Ų121.976%0.75572%0.72SS**  trans-156.5144.1-13456.90000120.7
876L34.3Very low43.7Very low161 Ų161121.1 Ų121.184%0.84373%0.726SS**  trans61120.7137.9-78.3165000126.7
877S36.7Very low42.8Very low96 Ų96123.7 Ų123.767%0.67173%0.731SS**  101.5161.2118.877.40000125.6
878Q42.4Very low42Very low188 Ų188124.4 Ų124.488%0.87973%0.732SS**  trans83.5151.1169.3-50.1-170.37.600118.8
879S48.6Very low41.5Very low111 Ų111126.9 Ų126.978%0.77674%0.743SS**  cis-144.2-150.17.968.10000115.3
880L38.3Very low40.8Very low101 Ų101126 Ų12653%0.52974%0.743SS.*  trans-139.9-171.4-156.7-91.5165.8000118.3
881T42.7Very low40.3Very low79 Ų79126.2 Ų126.249%0.48575%0.746SS.*  trans-98.1-159.6-167.462.40000114.9
882P45.4Very low40.2Very low85 Ų85127.8 Ų127.855%0.55275%0.747SS**  cis-136.9-154.3-15.536.6-12.6000115.4
883T48.2Very low40.3Very low131 Ų131125.6 Ų125.680%0.80474%0.741SS**  trans85.6156.7168.673.80000118.3
884S51Low40.1Very low117 Ų117125.6 Ų125.682%0.81874%0.742SS**  cis-174.6155.1-29.3560000112.1
885G47Very low40.2Very low75 Ų75121.5 Ų121.577%0.77373%0.731SS**  trans169175.7170.500000116.7
886P42.5Very low40.3Very low116 Ų116126.6 Ų126.675%0.75374%0.736SS**  trans-125.1178.6-16933.2-13000117.3
887Y37.7Very low40.3Very low206 Ų206123.6 Ų123.681%0.80873%0.728SS**  trans79.5136.6172.3-69.3-100.1000120.1
888F39.4Very low40.6Very low162 Ų162125 Ų12571%0.71172%0.72SS**  trans70.5120146.5-88-123.8000123.7
889E38.2Very low41.1Very low172 Ų172118.9 Ų118.980%0.80470%0.701SS**  trans52.7113.9132.5-59.8-179.5164.900122.7
890G37.8Very low40.7Very low76 Ų76119.8 Ų119.878%0.78470%0.702SS**  119.792.5116.700000122
891A36.8Very low40.5Very low98 Ų98120.8 Ų120.881%0.8171%0.707SS**  trans72.9168.9147.100000120.9
892N37.4Very low40Very low117 Ų117122.9 Ų122.963%0.62672%0.72SS**  trans-122.4171.6-146.3-127.9-43.6000116
893N36Very low39.5Very low140 Ų140122.8 Ų122.875%0.74974%0.735SS**  trans-43.7150.3170.4-72-43.8000115.1
894S30.1Very low38.9Very low108 Ų108120.4 Ų120.476%0.75574%0.736SS**  cis79.2150.517.3-114.50000116.5
895P37.2Very low38Very low104 Ų104121.8 Ų121.868%0.67573%0.73SS**  -147179.5-108.540.7-18.5000118.6
896Y38.5Very low37.8Very low216 Ų216123.7 Ų123.785%0.84772%0.717SS**  trans38.8121.4141.2-86.3-103.9000124.1
897S34.3Very low38.1Very low98 Ų98118.9 Ų118.969%0.68569%0.688SS**  68.1126.6120.478.50000125.7
898Y43.5Very low38.2Very low125 Ų125117.6 Ų117.649%0.4968%0.682SS.*  50.7121.9127.1-99.6-109000126.7E937Y898-E937 HydrophobicContact CE2-CB 4.31Å; Y898-E937 HydrophobicContact CE2-CG 4.33Å; Y898-E937 WeakPolarHBondContact CE2-OE1 3.41Å; Y898-E937 VanDerWaalsContact CE2-OE2 3.23Å; Y898-E937 WeakPolarHBondContact CE2-OE2 3.05Å; Y898-E937 PolarHBondContact OH-OE2 3.31Å
899A53.1Low38.5Very low60 Ų60112.5 Ų112.550%0.49668%0.675SS.*  trans71.8167.4133.200000124.8
900T39.3Very low38.8Very low129 Ų129109.7 Ų109.779%0.79168%0.675SS**  trans81.2145.6162.2-57.70000119.2
901L33.7Very low39.1Very low122 Ų122115.4 Ų115.464%0.63967%0.673SS**  cis-160.3170.8-34.4-104.6-173.9000112.5
902T33Very low39.4Very low124 Ų124117.6 Ų117.676%0.76166%0.66SS**  trans39.8136.2153.653.20000125.9
903G34.8Very low39.9Very low83 Ų83116.4 Ų116.486%0.85666%0.661SS**  trans150130.4141.400000120.5
904G34.6Very low40.7Very low80 Ų80117.1 Ų117.183%0.82566%0.659SS**  trans110.195.1140.100000123.3
905E33.8Very low42Very low147 Ų147116.8 Ų116.869%0.68764%0.644SS**  trans48.3126.7140.3-67.5-100.3110.400124.8
906K41.6Very low43.3Very low115 Ų115114.7 Ų114.750%0.563%0.629SS.*  trans45.896133.9-56.7-176.9-170.9128.70120W908K906-W908 HydrophobicContact CB-CZ2 4.02Å; K906-W908 HydrophobicContact CD-CH2 3.54Å; K906-W908 HydrophobicContact CD-CZ2 3.7Å; K906-W908 HydrophobicContact CD-CZ3 4.11Å; K906-W908 HydrophobicContact CG-CZ2 4.44Å
907G49.3Very low44.5Very low15 Ų15106.3 Ų106.316%0.15561%0.605CS.*  108.9-174.390.300000120.3
908W40.8Very low46Very low178 Ų178108.4 Ų108.467%0.67460%0.602SS**  cis-112-64.54.3-74.174.6000115.5K906 R912K906-W908 HydrophobicContact CB-CZ2 4.02Å; K906-W908 HydrophobicContact CD-CH2 3.54Å; K906-W908 HydrophobicContact CD-CZ2 3.7Å; K906-W908 HydrophobicContact CD-CZ3 4.11Å; K906-W908 HydrophobicContact CG-CZ2 4.44Å; W908-R912 PolarHBondContact O-NE 2.87Å; W908-R912 PolarHBondContact O-NH2 2.94Å
909G45.2Very low47.4Very low55 Ų55107.5 Ų107.557%0.56760%0.603SS**SBendtrans-107.5-97.1-171.900000115.3R911 R912G909-R911 PolarHBondContact O-N 3.07Å; G909-R912 WeakPolarHBondContact O-CA 3.35Å; G909-R912 WeakPolarHBondContact O-CB 3.48Å; G909-R912 PolarHBondContact O-N 2.93Å
910S43.6Very low48.3Very low114 Ų114110.1 Ų110.180%0.79761%0.605SS**Hα-helixtrans-56.7-44.2-177.91610000113.2R912 S913S910-R912 PolarHBondContact O-N 2.98Å; S910-S913 PolarHBondContact O-N 3.47Å
911R45.6Very low49.8Very low196 Ų196109 Ų10974%0.7459%0.593SS**Hα-helixtrans-53.5-13.1168.4-87.5-175.7174.1-179.8-1.5114G909 K915G909-R911 PolarHBondContact O-N 3.07Å; R911-K915 WeakPolarHBondContact O-CA 3.49Å; R911-K915 WeakPolarHBondContact O-CB 3.46Å; R911-K915 WeakPolarHBondContact O-CG 3.3Å; R911-K915 PolarHBondContact O-N 3.4Å
912R43.2Very low51.7Low143 Ų143107.5 Ų107.554%0.5459%0.585SS.*Hα-helixtrans-75.7-38.8177.9-162.2-174-65-145.52.1112.4W908 G909 S910 K915 V916W908-R912 PolarHBondContact O-NE 2.87Å; W908-R912 PolarHBondContact O-NH2 2.94Å; G909-R912 WeakPolarHBondContact O-CA 3.35Å; G909-R912 WeakPolarHBondContact O-CB 3.48Å; G909-R912 PolarHBondContact O-N 2.93Å; S910-R912 PolarHBondContact O-N 2.98Å; R912-K915 CarbonylContact O-C 3.58Å; R912-K915 PolarHBondContact O-N 3.36Å; R912-V916 WeakPolarHBondContact O-CG2 3.26Å; R912-V916 PolarHBondContact O-N 2.97Å
913S47.7Very low53.6Low93 Ų93104.9 Ų104.965%0.6557%0.567SS**Hα-helixtrans-69.5-48.5175.1-178.60000110.8S910 K915 V916 A917S910-S913 PolarHBondContact O-N 3.47Å; S913-K915 VanDerWaalsContact C-N 3.27Å; S913-K915 PolarHBondContact O-N 2.8Å; S913-V916 WeakPolarHBondContact O-CA 3.5Å; S913-V916 WeakPolarHBondContact O-CB 3.44Å; S913-V916 PolarHBondContact O-N 2.84Å; S913-A917 PolarHBondContact O-N 3.38Å
914H52.8Low55.3Low154 Ų154106.7 Ų106.771%0.71356%0.556SS**Hα-helixtrans-64.4-27.1172.2-107.4-70.4000113.5K918H914-K918 WeakPolarHBondContact O-CB 3.45Å; H914-K918 PolarHBondContact O-N 2.89Å
915K56.2Low57.2Low101 Ų101107.8 Ų107.844%0.43954%0.54SS..Hα-helixtrans-70.9-38.5166.9-89.2-178.3170.2-1760111.4R911 R912 S913 K918 M919R911-K915 WeakPolarHBondContact O-CA 3.49Å; R911-K915 WeakPolarHBondContact O-CB 3.46Å; R911-K915 WeakPolarHBondContact O-CG 3.3Å; R911-K915 PolarHBondContact O-N 3.4Å; R912-K915 CarbonylContact O-C 3.58Å; R912-K915 PolarHBondContact O-N 3.36Å; S913-K915 VanDerWaalsContact C-N 3.27Å; S913-K915 PolarHBondContact O-N 2.8Å; K915-K918 CarbonylContact O-C 3.47Å; K915-K918 PolarHBondContact O-N 3.27Å; K915-M919 WeakPolarHBondContact O-CA 3.46Å; K915-M919 WeakPolarHBondContact O-CB 3.19Å; K915-M919 PolarHBondContact O-N 3.47Å
916V64.6Low59.1Low60 Ų60106.7 Ų106.736%0.36453%0.53SS..Hα-helixtrans-62.9-53.8176.3164.90000109.8R912 S913 K918 M919 E920R912-V916 WeakPolarHBondContact O-CG2 3.26Å; R912-V916 PolarHBondContact O-N 2.97Å; S913-V916 WeakPolarHBondContact O-CA 3.5Å; S913-V916 WeakPolarHBondContact O-CB 3.44Å; S913-V916 PolarHBondContact O-N 2.84Å; V916-K918 VanDerWaalsContact C-N 3.31Å; V916-K918 PolarHBondContact O-N 3.5Å; V916-M919 CarbonylContact O-C 3.5Å; V916-M919 WeakPolarHBondContact O-CA 3.47Å; V916-M919 PolarHBondContact O-N 3.22Å; V916-E920 HydrophobicContact CG1-CG 4.36Å; V916-E920 WeakPolarHBondContact O-CG 3.07Å; V916-E920 PolarHBondContact O-N 3.07Å
917A63.5Low60.6Low41 Ų41105.8 Ų105.834%0.33953%0.53SS..Hα-helixtrans-58.3-41.2175.300000112.4S913 M919 I921S913-A917 PolarHBondContact O-N 3.38Å; A917-M919 VanDerWaalsContact C-N 3.28Å; A917-M919 PolarHBondContact O-N 3.41Å; A917-I921 WeakPolarHBondContact O-CB 3.45Å; A917-I921 WeakPolarHBondContact O-CD1 3.46Å; A917-I921 WeakPolarHBondContact O-CG1 3.24Å; A917-I921 PolarHBondContact O-N 3.49Å
918K66.8Low61.7Low141 Ų141108.7 Ų108.761%0.61354%0.542SS*.Hα-helixtrans-70.1-21.2174.4-172.2165.4-178.1169.70113.4H914 K915 V916 L922H914-K918 WeakPolarHBondContact O-CB 3.45Å; H914-K918 PolarHBondContact O-N 2.89Å; K915-K918 CarbonylContact O-C 3.47Å; K915-K918 PolarHBondContact O-N 3.27Å; V916-K918 VanDerWaalsContact C-N 3.31Å; V916-K918 PolarHBondContact O-N 3.5Å; K918-L922 HydrophobicContact CG-CD1 4.42Å; K918-L922 WeakPolarHBondContact O-CB 3.48Å; K918-L922 WeakPolarHBondContact O-CD1 3.46Å; K918-L922 WeakPolarHBondContact O-CG 3.49Å; K918-L922 PolarHBondContact O-N 2.85Å
919M72.1Confident63.4Low106 Ų106104.9 Ų104.952%0.52253%0.531SS..Hα-helixtrans-90.3-33.1179.3-169.9164.272.600111.1K915 V916 A917 I921 L922 D923K915-M919 WeakPolarHBondContact O-CA 3.46Å; K915-M919 WeakPolarHBondContact O-CB 3.19Å; K915-M919 PolarHBondContact O-N 3.47Å; V916-M919 CarbonylContact O-C 3.5Å; V916-M919 WeakPolarHBondContact O-CA 3.47Å; V916-M919 PolarHBondContact O-N 3.22Å; A917-M919 VanDerWaalsContact C-N 3.28Å; A917-M919 PolarHBondContact O-N 3.41Å; M919-I921 VanDerWaalsContact C-N 3.35Å; M919-L922 CarbonylContact O-C 3.42Å; M919-L922 PolarHBondContact O-N 3.49Å; M919-D923 VanDerWaalsContact O-CB 3.31Å; M919-D923 WeakPolarHBondContact O-CB 3.24Å; M919-D923 PolarHBondContact O-N 2.95Å
920E72.9Confident64.7Low115 Ų115105.1 Ų105.154%0.53752%0.524SS..Hα-helixtrans-62.7-42.2163.6-69.6166.9159.100110.2V916 D923 L924V916-E920 HydrophobicContact CG1-CG 4.36Å; V916-E920 WeakPolarHBondContact O-CG 3.07Å; V916-E920 PolarHBondContact O-N 3.07Å; E920-D923 PolarHBondContact O-N 3.43Å; E920-L924 VanDerWaalsContact O-CB 3.27Å; E920-L924 WeakPolarHBondContact O-CB 3.46Å; E920-L924 VanDerWaalsContact O-CG 3.24Å; E920-L924 WeakPolarHBondContact O-CG 3.48Å; E920-L924 PolarHBondContact O-N 2.77Å
921I71Confident66Low106 Ų106103.6 Ų103.654%0.54450%0.504SS..Hα-helixtrans-62.5-43.2170-70.8164.9000111.3A917 M919 Q925A917-I921 WeakPolarHBondContact O-CB 3.45Å; A917-I921 WeakPolarHBondContact O-CD1 3.46Å; A917-I921 WeakPolarHBondContact O-CG1 3.24Å; A917-I921 PolarHBondContact O-N 3.49Å; M919-I921 VanDerWaalsContact C-N 3.35Å; I921-Q925 WeakPolarHBondContact O-CB 3.43Å; I921-Q925 PolarHBondContact O-N 3.36Å
922L73Confident67.2Low90 Ų9097 Ų9747%0.47148%0.483SS..Hα-helixtrans-68.5-32.4176.8-77.5162.7000113K918 M919 Q925 R926K918-L922 HydrophobicContact CG-CD1 4.42Å; K918-L922 WeakPolarHBondContact O-CB 3.48Å; K918-L922 WeakPolarHBondContact O-CD1 3.46Å; K918-L922 WeakPolarHBondContact O-CG 3.49Å; K918-L922 PolarHBondContact O-N 2.85Å; M919-L922 CarbonylContact O-C 3.42Å; M919-L922 PolarHBondContact O-N 3.49Å; L922-Q925 CarbonylContact O-C 3.41Å; L922-Q925 PolarHBondContact O-N 2.98Å; L922-R926 VanDerWaalsContact O-CB 3.22Å; L922-R926 WeakPolarHBondContact O-CB 3.42Å; L922-R926 PolarHBondContact O-N 3.26Å
923D72.4Confident68.7Low69 Ų6995 Ų9537%0.36948%0.476SS..Hα-helixtrans-81.5-32.3177.9-78.3-30.2000111.5M919 E920 R926 N927M919-D923 VanDerWaalsContact O-CB 3.31Å; M919-D923 WeakPolarHBondContact O-CB 3.24Å; M919-D923 PolarHBondContact O-N 2.95Å; E920-D923 PolarHBondContact O-N 3.43Å; D923-R926 PolarHBondContact O-N 2.83Å; D923-N927 VanDerWaalsContact O-CB 3.25Å; D923-N927 WeakPolarHBondContact O-CB 3.49Å; D923-N927 PolarHBondContact O-N 2.94Å; D923-N927 PolarHBondContact O-ND2 3.05Å
924L71.6Confident69.9Low121 Ų12192.2 Ų92.263%0.63446%0.459SS*.Hα-helixtrans-61.5-44.8163.1-76.1167.2000110.5E920 R926 N927 L928E920-L924 VanDerWaalsContact O-CB 3.27Å; E920-L924 WeakPolarHBondContact O-CB 3.46Å; E920-L924 VanDerWaalsContact O-CG 3.24Å; E920-L924 WeakPolarHBondContact O-CG 3.48Å; E920-L924 PolarHBondContact O-N 2.77Å; L924-R926 VanDerWaalsContact C-N 3.29Å; L924-R926 PolarHBondContact O-N 2.85Å; L924-N927 PolarHBondContact O-N 3.37Å; L924-L928 WeakPolarHBondContact O-CB 3.42Å; L924-L928 PolarHBondContact O-N 3.21Å
925Q73.4Confident70.5Confident103 Ų10387 Ų8748%0.48143%0.434SS..Hα-helixtrans-65.2-32.3174.9-168.6173.631.600112I921 L922 Q929I921-Q925 WeakPolarHBondContact O-CB 3.43Å; I921-Q925 PolarHBondContact O-N 3.36Å; L922-Q925 CarbonylContact O-C 3.41Å; L922-Q925 PolarHBondContact O-N 2.98Å; Q925-Q929 VanDerWaalsContact O-CB 3.3Å; Q925-Q929 WeakPolarHBondContact O-CB 3.42Å; Q925-Q929 VanDerWaalsContact O-CG 3.31Å; Q925-Q929 WeakPolarHBondContact O-CG 3.45Å; Q925-Q929 PolarHBondContact O-N 3.39Å
926R74.4Confident71.5Confident125 Ų12587.3 Ų87.347%0.47244%0.437SS..Hα-helixtrans-72.6-44175-169.9-176.4-161.7127.111.7112L922 D923 L924 Q929 S930L922-R926 VanDerWaalsContact O-CB 3.22Å; L922-R926 WeakPolarHBondContact O-CB 3.42Å; L922-R926 PolarHBondContact O-N 3.26Å; D923-R926 PolarHBondContact O-N 2.83Å; L924-R926 VanDerWaalsContact C-N 3.29Å; L924-R926 PolarHBondContact O-N 2.85Å; R926-Q929 CarbonylContact O-C 3.58Å; R926-Q929 WeakPolarHBondContact O-CB 3.49Å; R926-Q929 PolarHBondContact O-N 2.84Å; R926-S930 PolarHBondContact O-N 2.67Å; R926-S930 PolarHBondContact O-OG 3.11Å
927N73.9Confident71.9Confident96 Ų9688.3 Ų88.351%0.51344%0.438SS..Hα-helixtrans-66.4-44.1177.4-71-14.9000110.2D923 L924 Q929 S930 E931D923-N927 VanDerWaalsContact O-CB 3.25Å; D923-N927 WeakPolarHBondContact O-CB 3.49Å; D923-N927 PolarHBondContact O-N 2.94Å; D923-N927 PolarHBondContact O-ND2 3.05Å; L924-N927 PolarHBondContact O-N 3.37Å; N927-Q929 VanDerWaalsContact C-N 3.32Å; N927-Q929 PolarHBondContact O-N 2.99Å; N927-S930 VanDerWaalsContact CA-OG 3.32Å; N927-S930 WeakPolarHBondContact CA-OG 3.35Å; N927-S930 PolarHBondContact O-N 2.91Å; N927-S930 VanDerWaalsContact O-N 3.09Å; N927-S930 PolarHBondContact O-OG 3.45Å; N927-E931 WeakPolarHBondContact O-CB 3.39Å; N927-E931 PolarHBondContact O-N 2.85Å
928L71.8Confident72.2Confident75 Ų7590.9 Ų90.939%0.39344%0.444SS..Hα-helixtrans-59.2-41.6169.8-176.562.2000111L924 S930 E931 I932L924-L928 WeakPolarHBondContact O-CB 3.42Å; L924-L928 PolarHBondContact O-N 3.21Å; L928-S930 PolarHBondContact O-N 3.06Å; L928-E931 PolarHBondContact O-N 2.64Å; L928-I932 HydrophobicContact CD1-CD1 4.16Å; L928-I932 HydrophobicContact CD1-CG1 4.37Å; L928-I932 HydrophobicContact CG-CD1 3.88Å; L928-I932 HydrophobicContact CG-CG1 4.49Å; L928-I932 VanDerWaalsContact O-CB 3.25Å; L928-I932 WeakPolarHBondContact O-CB 3.26Å; L928-I932 WeakPolarHBondContact O-CG1 3.22Å; L928-I932 PolarHBondContact O-N 2.89Å
929Q75.4Confident72.5Confident98 Ų9888.2 Ų88.246%0.45844%0.44SS..Hα-helixtrans-68.5-25.4173.1-84.8-169.67.400114.9Q925 R926 N927 R933Q925-Q929 VanDerWaalsContact O-CB 3.3Å; Q925-Q929 WeakPolarHBondContact O-CB 3.42Å; Q925-Q929 VanDerWaalsContact O-CG 3.31Å; Q925-Q929 WeakPolarHBondContact O-CG 3.45Å; Q925-Q929 PolarHBondContact O-N 3.39Å; R926-Q929 CarbonylContact O-C 3.58Å; R926-Q929 WeakPolarHBondContact O-CB 3.49Å; R926-Q929 PolarHBondContact O-N 2.84Å; N927-Q929 VanDerWaalsContact C-N 3.32Å; N927-Q929 PolarHBondContact O-N 2.99Å; Q929-R933 WeakPolarHBondContact O-CB 3.35Å; Q929-R933 WeakPolarHBondContact O-CG 3.08Å; Q929-R933 PolarHBondContact O-N 2.97Å; Q929-R933 VanDerWaalsContact O-N 3.16Å; Q929-R933 PolarHBondContact O-NE 2.82Å; Q929-R933 VanDerWaalsContact O-NE 3.09Å
930S73.5Confident72.6Confident60 Ų6088.5 Ų88.542%0.4244%0.44SS..Hα-helixtrans-79.8-35.7171.351.70000112R926 N927 L928 R933 A934R926-S930 PolarHBondContact O-N 2.67Å; R926-S930 PolarHBondContact O-OG 3.11Å; N927-S930 VanDerWaalsContact CA-OG 3.32Å; N927-S930 WeakPolarHBondContact CA-OG 3.35Å; N927-S930 PolarHBondContact O-N 2.91Å; N927-S930 VanDerWaalsContact O-N 3.09Å; N927-S930 PolarHBondContact O-OG 3.45Å; L928-S930 PolarHBondContact O-N 3.06Å; S930-R933 PolarHBondContact O-N 2.83Å; S930-A934 WeakPolarHBondContact O-CB 3.18Å; S930-A934 PolarHBondContact O-N 3.18Å
931E70.3Confident72.7Confident82 Ų8288.1 Ų88.138%0.38344%0.439SS..Hα-helixtrans-75-31176-156.4-150.7121.200111.8R846 N927 L928 K935R846-E931 IonicContact CZ-OE1 2.81Å; R846-E931 VanDerWaalsContact CZ-OE1 3.31Å; R846-E931 IonicContact NE-OE1 2.79Å; R846-E931 PolarHBondContact NE-OE1 3.31Å; R846-E931 VanDerWaalsContact NE-OE1 3.15Å; R846-E931 VanDerWaalsContact NH2-C 3.27Å; R846-E931 VanDerWaalsContact NH2-CD 3.31Å; R846-E931 PolarHBondContact NH2-O 3.28Å; R846-E931 IonicContact NH2-OE1 3.9Å; R846-E931 PolarHBondContact NH2-OE1 3.44Å; N927-E931 WeakPolarHBondContact O-CB 3.39Å; N927-E931 PolarHBondContact O-N 2.85Å; L928-E931 PolarHBondContact O-N 2.64Å; E931-K935 WeakPolarHBondContact O-CB 3.18Å; E931-K935 WeakPolarHBondContact O-CG 3.46Å; E931-K935 PolarHBondContact O-N 3.34Å; E931-K935 VanDerWaalsContact O-N 3.12Å; E931-K935 IonicContact OE1-NZ 2.95Å; E931-K935 PolarHBondContact OE1-NZ 3.09Å
932I71.9Confident72.6Confident58 Ų5886.6 Ų86.630%0.29743%0.431SS..Hα-helixtrans-64.6-48.5166.7-73.6167.5000109.4L928 K935 Q936L928-I932 HydrophobicContact CD1-CD1 4.16Å; L928-I932 HydrophobicContact CD1-CG1 4.37Å; L928-I932 HydrophobicContact CG-CD1 3.88Å; L928-I932 HydrophobicContact CG-CG1 4.49Å; L928-I932 VanDerWaalsContact O-CB 3.25Å; L928-I932 WeakPolarHBondContact O-CB 3.26Å; L928-I932 WeakPolarHBondContact O-CG1 3.22Å; L928-I932 PolarHBondContact O-N 2.89Å; I932-K935 PolarHBondContact O-N 3.41Å; I932-Q936 HydrophobicContact CG2-CG 4.26Å; I932-Q936 WeakPolarHBondContact O-CB 3.15Å; I932-Q936 VanDerWaalsContact O-CG 3.28Å; I932-Q936 WeakPolarHBondContact O-CG 3.49Å; I932-Q936 PolarHBondContact O-N 3.18Å
933R74Confident72.6Confident101 Ų10186.1 Ų86.138%0.38143%0.432SS..Hα-helixtrans-62.3-45.8177.7-89.2179.3-87.3-159.3-11.4113.5Q929 S930 K935 Q936 E937Q929-R933 WeakPolarHBondContact O-CB 3.35Å; Q929-R933 WeakPolarHBondContact O-CG 3.08Å; Q929-R933 PolarHBondContact O-N 2.97Å; Q929-R933 VanDerWaalsContact O-N 3.16Å; Q929-R933 PolarHBondContact O-NE 2.82Å; Q929-R933 VanDerWaalsContact O-NE 3.09Å; S930-R933 PolarHBondContact O-N 2.83Å; R933-K935 VanDerWaalsContact C-N 3.31Å; R933-K935 PolarHBondContact O-N 2.88Å; R933-Q936 WeakPolarHBondContact O-CB 3.14Å; R933-Q936 PolarHBondContact O-N 2.9Å; R933-E937 WeakPolarHBondContact O-CB 3.16Å; R933-E937 PolarHBondContact O-N 3.08Å
934A72.7Confident72.7Confident35 Ų3587.9 Ų87.929%0.28944%0.436SS..Hα-helixtrans-60.9-39.8177.300000111.7S930 E937 I938S930-A934 WeakPolarHBondContact O-CB 3.18Å; S930-A934 PolarHBondContact O-N 3.18Å; A934-E937 PolarHBondContact O-N 3.21Å; A934-I938 VanDerWaalsContact O-CG1 3.28Å; A934-I938 WeakPolarHBondContact O-CG1 3.29Å; A934-I938 PolarHBondContact O-N 3.24Å
935K66.1Low72.6Confident45 Ų4587.7 Ų87.720%0.19643%0.431CS..Hα-helixtrans-80.5-24.5176.5-63.7-167.7-165.4158.90113.8E842 E931 I932 R933 T939E842-K935 IonicContact OE1-NZ 3.76Å; E842-K935 PolarHBondContact OE1-NZ 2.98Å; E842-K935 WeakPolarHBondContact OE2-CE 3.32Å; E842-K935 IonicContact OE2-NZ 2.93Å; E842-K935 PolarHBondContact OE2-NZ 2.57Å; E931-K935 WeakPolarHBondContact O-CB 3.18Å; E931-K935 WeakPolarHBondContact O-CG 3.46Å; E931-K935 PolarHBondContact O-N 3.34Å; E931-K935 VanDerWaalsContact O-N 3.12Å; E931-K935 IonicContact OE1-NZ 2.95Å; E931-K935 PolarHBondContact OE1-NZ 3.09Å; I932-K935 PolarHBondContact O-N 3.41Å; R933-K935 VanDerWaalsContact C-N 3.31Å; R933-K935 PolarHBondContact O-N 2.88Å; K935-T939 VanDerWaalsContact O-CB 3.31Å; K935-T939 WeakPolarHBondContact O-CB 3.19Å; K935-T939 PolarHBondContact O-N 3.09Å; K935-T939 PolarHBondContact O-OG1 3.11Å
936Q75.6Confident72.3Confident107 Ų10789.8 Ų89.850%0.543%0.434SS..Hα-helixtrans-63.6-46.2165.1-78.4173.2-42.300110.1I932 R933 T939 E940I932-Q936 HydrophobicContact CG2-CG 4.26Å; I932-Q936 WeakPolarHBondContact O-CB 3.15Å; I932-Q936 VanDerWaalsContact O-CG 3.28Å; I932-Q936 WeakPolarHBondContact O-CG 3.49Å; I932-Q936 PolarHBondContact O-N 3.18Å; R933-Q936 WeakPolarHBondContact O-CB 3.14Å; R933-Q936 PolarHBondContact O-N 2.9Å; Q936-T939 CarbonylContact O-C 3.58Å; Q936-T939 WeakPolarHBondContact O-CA 3.32Å; Q936-T939 WeakPolarHBondContact O-CB 3.35Å; Q936-T939 PolarHBondContact O-N 2.92Å; Q936-T939 VanDerWaalsContact O-N 3.11Å; Q936-E940 WeakPolarHBondContact O-CG 3.34Å; Q936-E940 PolarHBondContact O-N 3.45Å
937E74.4Confident72.2Confident81 Ų8187.3 Ų87.338%0.37944%0.436SS..Hα-helixtrans-63.5-43.9176.4-170.6171.7-12600112Y898 R933 A934 T939 E940 E941Y898-E937 HydrophobicContact CE2-CB 4.31Å; Y898-E937 HydrophobicContact CE2-CG 4.33Å; Y898-E937 WeakPolarHBondContact CE2-OE1 3.41Å; Y898-E937 VanDerWaalsContact CE2-OE2 3.23Å; Y898-E937 WeakPolarHBondContact CE2-OE2 3.05Å; Y898-E937 PolarHBondContact OH-OE2 3.31Å; R933-E937 WeakPolarHBondContact O-CB 3.16Å; R933-E937 PolarHBondContact O-N 3.08Å; A934-E937 PolarHBondContact O-N 3.21Å; E937-T939 VanDerWaalsContact C-N 3.28Å; E937-T939 PolarHBondContact O-N 3.35Å; E937-E940 CarbonylContact O-C 3.41Å; E937-E940 WeakPolarHBondContact O-CB 3.17Å; E937-E940 PolarHBondContact O-N 2.9Å; E937-E941 WeakPolarHBondContact O-CB 3.48Å; E937-E941 WeakPolarHBondContact O-CG 3.16Å; E937-E941 PolarHBondContact O-N 3.15Å
938I69.8Low72.1Confident94 Ų9485.5 Ų85.548%0.48243%0.434SS..Hα-helixtrans-61.3-35.9171.7-68.5162.3000111.6A934 E941 L942A934-I938 VanDerWaalsContact O-CG1 3.28Å; A934-I938 WeakPolarHBondContact O-CG1 3.29Å; A934-I938 PolarHBondContact O-N 3.24Å; I938-E941 PolarHBondContact O-N 2.9Å; I938-L942 HydrophobicContact CG2-CD1 4.09Å; I938-L942 WeakPolarHBondContact O-CB 3.3Å; I938-L942 PolarHBondContact O-N 3.34Å
939T71.6Confident71.9Confident85 Ų8584.2 Ų84.252%0.52143%0.425SS..Hα-helixtrans-69.8-38.4175.7-56.40000111.4K935 Q936 E937 T943K935-T939 VanDerWaalsContact O-CB 3.31Å; K935-T939 WeakPolarHBondContact O-CB 3.19Å; K935-T939 PolarHBondContact O-N 3.09Å; K935-T939 PolarHBondContact O-OG1 3.11Å; Q936-T939 CarbonylContact O-C 3.58Å; Q936-T939 WeakPolarHBondContact O-CA 3.32Å; Q936-T939 WeakPolarHBondContact O-CB 3.35Å; Q936-T939 PolarHBondContact O-N 2.92Å; Q936-T939 VanDerWaalsContact O-N 3.11Å; E937-T939 VanDerWaalsContact C-N 3.28Å; E937-T939 PolarHBondContact O-N 3.35Å; T939-T943 VanDerWaalsContact O-CB 3.29Å; T939-T943 WeakPolarHBondContact O-CB 3.38Å; T939-T943 PolarHBondContact O-N 2.99Å; T939-T943 PolarHBondContact O-OG1 3.29Å
940E75Confident71.6Confident112 Ų11285 Ų8552%0.52343%0.427SS..Hα-helixtrans-65.3-43.1172-75.8-179.1-155.300111.4Q936 E937 T943 K944Q936-E940 WeakPolarHBondContact O-CG 3.34Å; Q936-E940 PolarHBondContact O-N 3.45Å; E937-E940 CarbonylContact O-C 3.41Å; E937-E940 WeakPolarHBondContact O-CB 3.17Å; E937-E940 PolarHBondContact O-N 2.9Å; E940-T943 PolarHBondContact O-N 3Å; E940-K944 WeakPolarHBondContact O-CB 3.41Å; E940-K944 WeakPolarHBondContact O-CG 3.25Å; E940-K944 PolarHBondContact O-N 2.93Å
941E74.5Confident71.6Confident108 Ų10884.1 Ų84.151%0.50542%0.423SS..Hα-helixtrans-60.4-47.4173.6-71.9-62.3103.300111.4E937 I938 T943 K944 F945E937-E941 WeakPolarHBondContact O-CB 3.48Å; E937-E941 WeakPolarHBondContact O-CG 3.16Å; E937-E941 PolarHBondContact O-N 3.15Å; I938-E941 PolarHBondContact O-N 2.9Å; E941-T943 VanDerWaalsContact C-N 3.28Å; E941-T943 PolarHBondContact O-N 3.01Å; E941-K944 PolarHBondContact O-N 3.11Å; E941-K944 WeakPolarHBondContact OE1-CD 3.36Å; E941-K944 IonicContact OE1-NZ 3.21Å; E941-K944 PolarHBondContact OE1-NZ 3.04Å; E941-F945 VanDerWaalsContact O-CB 3.3Å; E941-F945 WeakPolarHBondContact O-CB 3.45Å; E941-F945 PolarHBondContact O-N 2.77Å
942L69.2Low71.4Confident74 Ų7482.2 Ų82.239%0.38742%0.418SS..Hα-helixtrans-60.4-37.5173-107.589.8000112.1I938 F945 R946I938-L942 HydrophobicContact CG2-CD1 4.09Å; I938-L942 WeakPolarHBondContact O-CB 3.3Å; I938-L942 PolarHBondContact O-N 3.34Å; L942-F945 PolarHBondContact O-N 3.15Å; L942-R946 VanDerWaalsContact O-CB 3.24Å; L942-R946 WeakPolarHBondContact O-CB 3.43Å; L942-R946 PolarHBondContact O-N 2.92Å
943T73.2Confident71.4Confident80 Ų8082.8 Ų82.849%0.49142%0.419SS..Hα-helixtrans-72-40.8-179.7-57.80000111.4T939 E940 E941 R946 S947T939-T943 VanDerWaalsContact O-CB 3.29Å; T939-T943 WeakPolarHBondContact O-CB 3.38Å; T939-T943 PolarHBondContact O-N 2.99Å; T939-T943 PolarHBondContact O-OG1 3.29Å; E940-T943 PolarHBondContact O-N 3Å; E941-T943 VanDerWaalsContact C-N 3.28Å; E941-T943 PolarHBondContact O-N 3.01Å; T943-R946 PolarHBondContact O-N 3.38Å; T943-S947 WeakPolarHBondContact O-CB 3.5Å; T943-S947 PolarHBondContact O-N 3.17Å; T943-S947 PolarHBondContact O-OG 2.9Å
944K74.9Confident71.4Confident106 Ų10684.1 Ų84.146%0.46143%0.429SS..Hα-helixtrans-60.6-47.3170.5-69.1163.5-155.9163.20110.4E940 E941 S947 A948E940-K944 WeakPolarHBondContact O-CB 3.41Å; E940-K944 WeakPolarHBondContact O-CG 3.25Å; E940-K944 PolarHBondContact O-N 2.93Å; E941-K944 PolarHBondContact O-N 3.11Å; E941-K944 WeakPolarHBondContact OE1-CD 3.36Å; E941-K944 IonicContact OE1-NZ 3.21Å; E941-K944 PolarHBondContact OE1-NZ 3.04Å; K944-S947 PolarHBondContact O-N 3.02Å; K944-A948 WeakPolarHBondContact O-CB 3.49Å; K944-A948 PolarHBondContact O-N 3.24Å
945F68.4Low71.4Confident116 Ų11688.3 Ų88.351%0.50944%0.443SS..Hα-helixtrans-62.6-44.3178.8-169.3-90.1000111.7L828 E941 L942 S947 A948 Y949L828-F945 HydrophobicContact CD1-CZ 3.75Å; E941-F945 VanDerWaalsContact O-CB 3.3Å; E941-F945 WeakPolarHBondContact O-CB 3.45Å; E941-F945 PolarHBondContact O-N 2.77Å; L942-F945 PolarHBondContact O-N 3.15Å; F945-S947 PolarHBondContact O-N 2.83Å; F945-A948 PolarHBondContact O-N 2.66Å; F945-Y949 WeakPolarHBondContact O-CB 3.39Å; F945-Y949 PolarHBondContact O-N 2.77Å
946R67.8Low71.6Confident147 Ų14786.8 Ų86.856%0.55544%0.437SS*.Hα-helixtrans-65.1-38.4176.1-167.3173.1-168.8171.43.4112.2L942 T943 Y949 F950L942-R946 VanDerWaalsContact O-CB 3.24Å; L942-R946 WeakPolarHBondContact O-CB 3.43Å; L942-R946 PolarHBondContact O-N 2.92Å; T943-R946 PolarHBondContact O-N 3.38Å; R946-Y949 PolarHBondContact O-N 3.25Å; R946-F950 HydrophobicContact CG-CD2 4.02Å; R946-F950 HydrophobicContact CG-CE2 3.86Å; R946-F950 VanDerWaalsContact O-CD2 3.24Å; R946-F950 WeakPolarHBondContact O-CD2 3.45Å; R946-F950 PolarHBondContact O-N 3.48Å
947S72Confident71.5Confident73 Ų7386.5 Ų86.551%0.5144%0.435SS..Hα-helixtrans-66.6-42.1174.2-570000111.7T943 K944 F945 F950 A951T943-S947 WeakPolarHBondContact O-CB 3.5Å; T943-S947 PolarHBondContact O-N 3.17Å; T943-S947 PolarHBondContact O-OG 2.9Å; K944-S947 PolarHBondContact O-N 3.02Å; F945-S947 PolarHBondContact O-N 2.83Å; S947-F950 PolarHBondContact O-N 2.63Å; S947-A951 WeakPolarHBondContact O-CB 3.33Å; S947-A951 PolarHBondContact O-N 2.84Å
948A72.4Confident71.5Confident58 Ų5887.3 Ų87.348%0.47944%0.439SS..Hα-helixtrans-66.5-37.7175.300000112.2K944 F945 A951 C952K944-A948 WeakPolarHBondContact O-CB 3.49Å; K944-A948 PolarHBondContact O-N 3.24Å; F945-A948 PolarHBondContact O-N 2.66Å; A948-A951 PolarHBondContact O-N 3.03Å; A948-C952 WeakPolarHBondContact O-CB 3.27Å; A948-C952 PolarHBondContact O-N 2.67Å
949Y68.1Low71.3Confident48 Ų4884.3 Ų84.319%0.18843%0.428CS..Hα-helixtrans-61.6-50.1172.2171.1-91.7000111.3A825 F945 R946 A951 C952 K953A825-Y949 HydrophobicContact CB-CD2 3.9Å; A825-Y949 HydrophobicContact CB-CE2 3.87Å; F945-Y949 WeakPolarHBondContact O-CB 3.39Å; F945-Y949 PolarHBondContact O-N 2.77Å; R946-Y949 PolarHBondContact O-N 3.25Å; Y949-A951 PolarHBondContact O-N 3.01Å; Y949-C952 PolarHBondContact O-N 3.14Å; Y949-K953 WeakPolarHBondContact O-CB 3.22Å; Y949-K953 PolarHBondContact O-N 3.45Å
950F68.9Low71.3Confident115 Ų11584.2 Ų84.250%0.50442%0.422SS..Hα-helixtrans-62.9-40.4177.2-82.6-61000112.3R946 S947 K953 Q954R946-F950 HydrophobicContact CG-CD2 4.02Å; R946-F950 HydrophobicContact CG-CE2 3.86Å; R946-F950 VanDerWaalsContact O-CD2 3.24Å; R946-F950 WeakPolarHBondContact O-CD2 3.45Å; R946-F950 PolarHBondContact O-N 3.48Å; S947-F950 PolarHBondContact O-N 2.63Å; F950-K953 PolarHBondContact O-N 2.77Å; F950-Q954 WeakPolarHBondContact O-CB 3.08Å; F950-Q954 PolarHBondContact O-N 2.92Å
951A73.1Confident71.3Confident41 Ų4183.4 Ų83.434%0.33942%0.416SS..Hα-helixtrans-64.2-40.8174.400000112.3S947 A948 Y949 Q954 Q955S947-A951 WeakPolarHBondContact O-CB 3.33Å; S947-A951 PolarHBondContact O-N 2.84Å; A948-A951 PolarHBondContact O-N 3.03Å; Y949-A951 PolarHBondContact O-N 3.01Å; A951-Q954 PolarHBondContact O-N 2.75Å; A951-Q955 WeakPolarHBondContact O-CB 3.3Å; A951-Q955 VanDerWaalsContact O-CG 3.25Å; A951-Q955 WeakPolarHBondContact O-CG 3.23Å; A951-Q955 PolarHBondContact O-N 2.89Å
952C66.8Low71.3Confident42 Ų4283 Ų8328%0.28441%0.413SS..Hα-helixtrans-65.7-41.5176.3-1690000111.6M818 A948 Y949 Q955 L956M818-C952 WeakPolarHBondContact CE-O 3.32Å; A948-C952 WeakPolarHBondContact O-CB 3.27Å; A948-C952 PolarHBondContact O-N 2.67Å; Y949-C952 PolarHBondContact O-N 3.14Å; C952-Q955 PolarHBondContact O-N 2.92Å; C952-L956 PolarHBondContact O-N 2.93Å
953K70.6Confident71.3Confident71 Ų7179.8 Ų79.831%0.30940%0.397SS..Hα-helixtrans-64.6-45174.3177.6168.2174.6166.40111.9Y949 F950 Q955 L956 E957Y949-K953 WeakPolarHBondContact O-CB 3.22Å; Y949-K953 PolarHBondContact O-N 3.45Å; F950-K953 PolarHBondContact O-N 2.77Å; K953-Q955 VanDerWaalsContact C-N 3.3Å; K953-Q955 PolarHBondContact O-N 2.85Å; K953-L956 WeakPolarHBondContact O-CB 3.43Å; K953-L956 PolarHBondContact O-N 2.69Å; K953-L956 VanDerWaalsContact O-N 3.11Å; K953-E957 WeakPolarHBondContact CE-OE1 3.33Å; K953-E957 IonicContact NZ-OE1 3.34Å; K953-E957 WeakPolarHBondContact O-CG 3.5Å; K953-E957 PolarHBondContact O-N 2.85Å
954Q75Confident71.3Confident128 Ų12876 Ų7660%0.59837%0.374SS*.Hα-helixtrans-62.3-38.1175.4-171.3175.725.300111.7F950 A951 E958F950-Q954 WeakPolarHBondContact O-CB 3.08Å; F950-Q954 PolarHBondContact O-N 2.92Å; A951-Q954 PolarHBondContact O-N 2.75Å; Q954-E958 VanDerWaalsContact O-CB 3.32Å; Q954-E958 WeakPolarHBondContact O-CB 3.15Å; Q954-E958 PolarHBondContact O-N 3.45Å
955Q72.9Confident71.4Confident124 Ų12475.2 Ų75.258%0.57937%0.372SS*.Hα-helixtrans-67.2-33.3173-75.6174.16.600113M818 A951 C952 K953 A959M818-Q955 HydrophobicContact CE-CB 3.96Å; A951-Q955 WeakPolarHBondContact O-CB 3.3Å; A951-Q955 VanDerWaalsContact O-CG 3.25Å; A951-Q955 WeakPolarHBondContact O-CG 3.23Å; A951-Q955 PolarHBondContact O-N 2.89Å; C952-Q955 PolarHBondContact O-N 2.92Å; K953-Q955 VanDerWaalsContact C-N 3.3Å; K953-Q955 PolarHBondContact O-N 2.85Å; Q955-A959 WeakPolarHBondContact O-CB 3.2Å; Q955-A959 PolarHBondContact O-N 2.97Å
956L69.7Low71.6Confident13 Ų1371.6 Ų71.67%0.06836%0.357CS..Hα-helixtrans-67.1-52.5172.3177.860.7000110.7L815 M818 Y822 C952 K953 E958 A959 E960L815-L956 HydrophobicContact CD2-CD1 3.99Å; L815-L956 HydrophobicContact CG-CD1 4.3Å; M818-L956 HydrophobicContact CB-CD1 4Å; M818-L956 HydrophobicContact CE-CB 4.21Å; Y822-L956 HydrophobicContact CD2-CD2 3.98Å; Y822-L956 HydrophobicContact CG-CD2 4.15Å; C952-L956 PolarHBondContact O-N 2.93Å; K953-L956 WeakPolarHBondContact O-CB 3.43Å; K953-L956 PolarHBondContact O-N 2.69Å; K953-L956 VanDerWaalsContact O-N 3.11Å; L956-E958 VanDerWaalsContact C-N 3.28Å; L956-E958 PolarHBondContact O-N 3.11Å; L956-A959 PolarHBondContact O-N 3.01Å; L956-E960 HydrophobicContact CD1-CG 4.08Å; L956-E960 HydrophobicContact CG-CG 4.43Å; L956-E960 WeakPolarHBondContact O-CB 3.5Å; L956-E960 WeakPolarHBondContact O-CG 3.22Å; L956-E960 PolarHBondContact O-N 2.85Å
957E73.1Confident71.9Confident100 Ų10065.3 Ų65.347%0.46733%0.334SS..Hα-helixtrans-58.8-37.4178.4-69.4172.4-17800112.1K953 K961K953-E957 WeakPolarHBondContact CE-OE1 3.33Å; K953-E957 IonicContact NZ-OE1 3.34Å; K953-E957 WeakPolarHBondContact O-CG 3.5Å; K953-E957 PolarHBondContact O-N 2.85Å; E957-K961 VanDerWaalsContact O-CB 3.29Å; E957-K961 WeakPolarHBondContact O-CB 3.22Å; E957-K961 PolarHBondContact O-N 2.88Å; E957-K961 VanDerWaalsContact O-N 3.07Å
958E74.7Confident72.1Confident99 Ų9963 Ų6346%0.46332%0.319SS..Hα-helixtrans-76.8-28.5175.7-158.2-173.1138.600113.1Q954 L956 K962Q954-E958 VanDerWaalsContact O-CB 3.32Å; Q954-E958 WeakPolarHBondContact O-CB 3.15Å; Q954-E958 PolarHBondContact O-N 3.45Å; L956-E958 VanDerWaalsContact C-N 3.28Å; L956-E958 PolarHBondContact O-N 3.11Å; E958-K962 WeakPolarHBondContact O-CD 3.31Å; E958-K962 VanDerWaalsContact O-CG 3.28Å; E958-K962 WeakPolarHBondContact O-CG 3.47Å; E958-K962 PolarHBondContact O-N 2.78Å; E958-K962 VanDerWaalsContact OE1-CE 3.29Å; E958-K962 WeakPolarHBondContact OE1-CE 3.45Å; E958-K962 IonicContact OE1-NZ 2.81Å; E958-K962 PolarHBondContact OE1-NZ 2.94Å
959A65.7Low72.3Confident30 Ų3064.1 Ų64.125%0.24831%0.314CS..Hα-helixtrans-73.8-45.2173.600000111.7Q955 L956 K961 K962 V963Q955-A959 WeakPolarHBondContact O-CB 3.2Å; Q955-A959 PolarHBondContact O-N 2.97Å; L956-A959 PolarHBondContact O-N 3.01Å; A959-K961 VanDerWaalsContact C-N 3.33Å; A959-K961 PolarHBondContact O-N 3.24Å; A959-K962 PolarHBondContact O-N 3.26Å; A959-V963 PolarHBondContact O-N 3Å
960E70.5Confident72.5Confident83 Ų8362.8 Ų62.839%0.38831%0.31SS..Hα-helixtrans-53.6-51.2171-73.9171.2167.400109.9L815 L956 K962 V963 A964L815-E960 HydrophobicContact CD1-CG 3.98Å; L815-E960 HydrophobicContact CD2-CG 4.34Å; L815-E960 HydrophobicContact CG-CG 4.38Å; L956-E960 HydrophobicContact CD1-CG 4.08Å; L956-E960 HydrophobicContact CG-CG 4.43Å; L956-E960 WeakPolarHBondContact O-CB 3.5Å; L956-E960 WeakPolarHBondContact O-CG 3.22Å; L956-E960 PolarHBondContact O-N 2.85Å; E960-K962 PolarHBondContact O-N 3.32Å; E960-K962 VanDerWaalsContact O-N 3.16Å; E960-V963 PolarHBondContact O-N 3.42Å; E960-A964 WeakPolarHBondContact O-CB 3.22Å; E960-A964 PolarHBondContact O-N 3.41Å
961K76.4Confident72.8Confident95 Ų9562.4 Ų62.441%0.41331%0.31SS..Hα-helixtrans-57.9-28.6175.2-177.6177.1169.3-170.20114E957 A959 A964 E965E957-K961 VanDerWaalsContact O-CB 3.29Å; E957-K961 WeakPolarHBondContact O-CB 3.22Å; E957-K961 PolarHBondContact O-N 2.88Å; E957-K961 VanDerWaalsContact O-N 3.07Å; A959-K961 VanDerWaalsContact C-N 3.33Å; A959-K961 PolarHBondContact O-N 3.24Å; K961-A964 WeakPolarHBondContact O-CB 3.5Å; K961-E965 WeakPolarHBondContact CE-OE1 3.25Å; K961-E965 IonicContact NZ-OE1 2.63Å; K961-E965 WeakPolarHBondContact O-CB 3.19Å; K961-E965 VanDerWaalsContact O-CG 3.3Å; K961-E965 WeakPolarHBondContact O-CG 3.14Å; K961-E965 PolarHBondContact O-N 3.27Å; K961-E965 VanDerWaalsContact O-N 3.12Å
962K74.4Confident73Confident99 Ų9966.5 Ų66.543%0.4332%0.316SS..Hα-helixtrans-80.5-38.7176.9-75.8165.4-172.4165.70112.9E958 A959 E960 E965 M966E958-K962 WeakPolarHBondContact O-CD 3.31Å; E958-K962 VanDerWaalsContact O-CG 3.28Å; E958-K962 WeakPolarHBondContact O-CG 3.47Å; E958-K962 PolarHBondContact O-N 2.78Å; E958-K962 VanDerWaalsContact OE1-CE 3.29Å; E958-K962 WeakPolarHBondContact OE1-CE 3.45Å; E958-K962 IonicContact OE1-NZ 2.81Å; E958-K962 PolarHBondContact OE1-NZ 2.94Å; A959-K962 PolarHBondContact O-N 3.26Å; E960-K962 PolarHBondContact O-N 3.32Å; E960-K962 VanDerWaalsContact O-N 3.16Å; K962-E965 PolarHBondContact O-N 3.35Å; K962-M966 WeakPolarHBondContact O-CB 3.33Å; K962-M966 WeakPolarHBondContact O-CG 3.48Å; K962-M966 PolarHBondContact O-N 2.97Å
963V68.6Low73.4Confident8 Ų866.9 Ų66.95%0.04831%0.313CS..Hα-helixtrans-63.1-47.9172.7-176.90000109.6L811 L815 A959 E960 E965 M966 V967 D1678L811-V963 HydrophobicContact CB-CG2 3.6Å; L811-V963 HydrophobicContact CD1-CG2 4.06Å; L811-V963 HydrophobicContact CG-CG2 4.42Å; L815-V963 HydrophobicContact CD1-CG2 4.03Å; A959-V963 PolarHBondContact O-N 3Å; E960-V963 PolarHBondContact O-N 3.42Å; V963-E965 PolarHBondContact O-N 3.4Å; V963-M966 CarbonylContact O-C 3.58Å; V963-M966 PolarHBondContact O-N 3.32Å; V963-M966 VanDerWaalsContact O-N 3.13Å; V963-V967 HydrophobicContact CG1-CG2 4.26Å; V963-V967 WeakPolarHBondContact O-CB 3.35Å; V963-V967 PolarHBondContact O-N 3.34Å; V963-D1678 WeakPolarHBondContact CB-OD2 3.49Å; V963-D1678 VanDerWaalsContact CG1-OD2 3.24Å; V963-D1678 WeakPolarHBondContact CG1-OD2 3.44Å
964A74.3Confident73.6Confident1 Ų165.2 Ų65.21%0.00831%0.312CS..Hα-helixtrans-46.2-53.6170.800000114.6E960 K961 C968 Q1677 D1678E960-A964 WeakPolarHBondContact O-CB 3.22Å; E960-A964 PolarHBondContact O-N 3.41Å; K961-A964 WeakPolarHBondContact O-CB 3.5Å; A964-C968 PolarHBondContact O-N 3.17Å; A964-Q1677 HydrophobicContact CB-CB 3.52Å; A964-Q1677 WeakPolarHBondContact CB-O 3.26Å; A964-Q1677 PolarHBondContact O-OE1 3Å; A964-D1678 PolarHBondContact N-OD2 3.36Å; A964-D1678 VanDerWaalsContact N-OD2 3.17Å
965E76.5Confident73.6Confident89 Ų8963.6 Ų63.642%0.41630%0.303SS..Hα-helixtrans-65.9-41.3178.5-77.2175.1-174.900111.5K961 K962 V963 C968 E969K961-E965 WeakPolarHBondContact CE-OE1 3.25Å; K961-E965 IonicContact NZ-OE1 2.63Å; K961-E965 WeakPolarHBondContact O-CB 3.19Å; K961-E965 VanDerWaalsContact O-CG 3.3Å; K961-E965 WeakPolarHBondContact O-CG 3.14Å; K961-E965 PolarHBondContact O-N 3.27Å; K961-E965 VanDerWaalsContact O-N 3.12Å; K962-E965 PolarHBondContact O-N 3.35Å; V963-E965 PolarHBondContact O-N 3.4Å; E965-C968 PolarHBondContact O-N 3.28Å; E965-E969 WeakPolarHBondContact O-CG 3.34Å; E965-E969 PolarHBondContact O-N 3.42Å
966M72Confident73.7Confident39 Ų3965.5 Ų65.519%0.19231%0.305CS..Hα-helixtrans-68.5-37.1177.5-73.7-16965.400113.7M804 Q807 I808 L811 K962 V963 C968 E969 L970M804-M966 HydrophobicContact CE-CE 4.25Å; Q807-M966 HydrophobicContact CB-CE 3.61Å; Q807-M966 HydrophobicContact CG-CE 4.47Å; I808-M966 HydrophobicContact CD1-CB 4.28Å; I808-M966 HydrophobicContact CG1-CB 4.25Å; I808-M966 HydrophobicContact CG1-CE 4.4Å; L811-M966 HydrophobicContact CD1-SD 3.61Å; K962-M966 WeakPolarHBondContact O-CB 3.33Å; K962-M966 WeakPolarHBondContact O-CG 3.48Å; K962-M966 PolarHBondContact O-N 2.97Å; V963-M966 CarbonylContact O-C 3.58Å; V963-M966 PolarHBondContact O-N 3.32Å; V963-M966 VanDerWaalsContact O-N 3.13Å; M966-C968 VanDerWaalsContact C-N 3.3Å; M966-C968 PolarHBondContact O-N 2.96Å; M966-E969 WeakPolarHBondContact O-CB 3.25Å; M966-E969 PolarHBondContact O-N 3.09Å; M966-L970 WeakPolarHBondContact O-CB 3.29Å; M966-L970 PolarHBondContact O-N 3.49Å
967V74.9Confident73.7Confident15 Ų1565.5 Ų65.59%0.09131%0.305CS..Hα-helixtrans-60.9-42.7172.5157.40000110.2I808 V963 L970 Q971 D1678 S1679I808-V967 HydrophobicContact CD1-CB 4.49Å; I808-V967 HydrophobicContact CD1-CG2 3.64Å; V963-V967 HydrophobicContact CG1-CG2 4.26Å; V963-V967 WeakPolarHBondContact O-CB 3.35Å; V963-V967 PolarHBondContact O-N 3.34Å; V967-L970 PolarHBondContact O-N 2.93Å; V967-Q971 WeakPolarHBondContact O-CB 3.37Å; V967-Q971 VanDerWaalsContact O-CG 3.3Å; V967-Q971 WeakPolarHBondContact O-CG 3.49Å; V967-Q971 PolarHBondContact O-N 3.25Å; V967-D1678 VanDerWaalsContact CG2-OD1 3.24Å; V967-D1678 WeakPolarHBondContact CG2-OD1 3.2Å; V967-S1679 WeakPolarHBondContact CG1-OG 3.47Å
968C76.4Confident73.5Confident26 Ų2665.7 Ų65.718%0.17631%0.31CS..Hα-helixtrans-68.1-37.8177.5-164.60000112.2A964 E965 M966 Q971 R972 Q1677A964-C968 PolarHBondContact O-N 3.17Å; E965-C968 PolarHBondContact O-N 3.28Å; M966-C968 VanDerWaalsContact C-N 3.3Å; M966-C968 PolarHBondContact O-N 2.96Å; C968-Q971 PolarHBondContact O-N 2.76Å; C968-R972 VanDerWaalsContact O-CG 3.26Å; C968-R972 WeakPolarHBondContact O-CG 3.45Å; C968-R972 PolarHBondContact O-N 2.88Å; C968-R972 PolarHBondContact SG-NH2 2.77Å; C968-Q1677 HydrophobicContact CB-CG 4.39Å; C968-Q1677 PolarHBondContact SG-NE2 2.84Å; C968-Q1677 VanDerWaalsContact SG-NE2 3.44Å
969E75.8Confident73.2Confident80 Ų8065.2 Ų65.237%0.37431%0.307SS..Hα-helixtrans-60.4-45.3169.7-73-95.7111.100112.2M804 E965 M966 R972 K973M804-E969 HydrophobicContact CE-CB 3.71Å; E965-E969 WeakPolarHBondContact O-CG 3.34Å; E965-E969 PolarHBondContact O-N 3.42Å; M966-E969 WeakPolarHBondContact O-CB 3.25Å; M966-E969 PolarHBondContact O-N 3.09Å; E969-R972 WeakPolarHBondContact O-CB 3.21Å; E969-R972 PolarHBondContact O-N 2.88Å; E969-R972 VanDerWaalsContact O-N 3.16Å; E969-R972 IonicContact OE1-NH1 2.7Å; E969-R972 PolarHBondContact OE1-NH1 3.45Å; E969-K973 PolarHBondContact O-N 2.85Å
970L72.3Confident73.2Confident20 Ų2065.1 Ų65.111%0.10530%0.302CS..Hα-helixtrans-64.2-41178.5-116.6167.1000111.6I801 M804 E805 I808 M966 V967 R972 K973 A974I801-L970 HydrophobicContact CB-CD2 4.23Å; I801-L970 HydrophobicContact CG1-CD2 4.21Å; I801-L970 HydrophobicContact CG2-CD2 3.79Å; M804-L970 HydrophobicContact CB-CD1 3.62Å; M804-L970 HydrophobicContact CB-CD2 4.3Å; M804-L970 HydrophobicContact CB-CG 3.7Å; E805-L970 HydrophobicContact CG-CD1 3.95Å; E805-L970 HydrophobicContact CG-CD2 4.27Å; I808-L970 HydrophobicContact CD1-CD1 3.49Å; I808-L970 VanDerWaalsContact CD1-CD1 3.49Å; I808-L970 HydrophobicContact CG1-CD1 4.21Å; M966-L970 WeakPolarHBondContact O-CB 3.29Å; M966-L970 PolarHBondContact O-N 3.49Å; V967-L970 PolarHBondContact O-N 2.93Å; L970-R972 VanDerWaalsContact C-N 3.34Å; L970-R972 PolarHBondContact O-N 3.44Å; L970-K973 PolarHBondContact O-N 3.33Å; L970-A974 WeakPolarHBondContact O-CB 3.43Å; L970-A974 PolarHBondContact O-N 2.85Å
971Q76Confident72.8Confident108 Ų10864.6 Ų64.651%0.50530%0.3SS..Hα-helixtrans-61.5-38.4172-72.5171.73.900112.2V967 C968 K975V967-Q971 WeakPolarHBondContact O-CB 3.37Å; V967-Q971 VanDerWaalsContact O-CG 3.3Å; V967-Q971 WeakPolarHBondContact O-CG 3.49Å; V967-Q971 PolarHBondContact O-N 3.25Å; C968-Q971 PolarHBondContact O-N 2.76Å; Q971-K975 VanDerWaalsContact O-CB 3.29Å; Q971-K975 WeakPolarHBondContact O-CB 3.02Å; Q971-K975 PolarHBondContact O-N 3.28Å
972R77Confident72.1Confident126 Ų12665.8 Ų65.848%0.47531%0.307SS..Hα-helixtrans-67-42.6174.3-67.4166.2-153.7155.92.8112.3C968 E969 L970 R976C968-R972 VanDerWaalsContact O-CG 3.26Å; C968-R972 WeakPolarHBondContact O-CG 3.45Å; C968-R972 PolarHBondContact O-N 2.88Å; C968-R972 PolarHBondContact SG-NH2 2.77Å; E969-R972 WeakPolarHBondContact O-CB 3.21Å; E969-R972 PolarHBondContact O-N 2.88Å; E969-R972 VanDerWaalsContact O-N 3.16Å; E969-R972 IonicContact OE1-NH1 2.7Å; E969-R972 PolarHBondContact OE1-NH1 3.45Å; L970-R972 VanDerWaalsContact C-N 3.34Å; L970-R972 PolarHBondContact O-N 3.44Å; R972-R976 WeakPolarHBondContact O-CG 3.22Å; R972-R976 PolarHBondContact O-N 2.74Å
973K75.3Confident71.4Confident51 Ų5164.3 Ų64.322%0.22230%0.303CS..Hα-helixtrans-69.5-42.3178-71.1-171.2-173.5179.30111.4N800 I801 M804 E969 L970 R976 L977N800-K973 HydrophobicContact CB-CD 4.44Å; N800-K973 PolarHBondContact OD1-NZ 3.48Å; I801-K973 HydrophobicContact CG1-CB 4.14Å; M804-K973 HydrophobicContact SD-CD 3.67Å; M804-K973 VanDerWaalsContact SD-CE 3.6Å; M804-K973 PolarHBondContact SD-NZ 2.72Å; E969-K973 PolarHBondContact O-N 2.85Å; L970-K973 PolarHBondContact O-N 3.33Å; K973-R976 PolarHBondContact O-N 3.18Å; K973-L977 WeakPolarHBondContact O-CB 3.38Å; K973-L977 PolarHBondContact O-N 2.68Å
974A73.7Confident70.6Confident35 Ų3565 Ų6529%0.28931%0.308SS..Hα-helixtrans-59.6-47.3171.900000111.2I801 L970 R976 L977 D978I801-A974 HydrophobicContact CD1-CB 4.25Å; L970-A974 WeakPolarHBondContact O-CB 3.43Å; L970-A974 PolarHBondContact O-N 2.85Å; A974-R976 VanDerWaalsContact C-N 3.33Å; A974-R976 PolarHBondContact O-N 3.39Å; A974-L977 CarbonylContact O-C 3.49Å; A974-L977 PolarHBondContact O-N 3.31Å; A974-D978 PolarHBondContact O-N 3.43Å
975K75.9Confident69.4Low94 Ų9467.7 Ų67.741%0.40933%0.327SS..Hα-helixtrans-62-37.2175.7-167.5-177.6-176.6-164.40112.6Q971 L977 E979Q971-K975 VanDerWaalsContact O-CB 3.29Å; Q971-K975 WeakPolarHBondContact O-CB 3.02Å; Q971-K975 PolarHBondContact O-N 3.28Å; K975-L977 VanDerWaalsContact C-N 3.34Å; K975-E979 WeakPolarHBondContact CE-OE1 3.34Å; K975-E979 HydrophobicContact CG-CG 4.44Å; K975-E979 IonicContact NZ-OE1 3.5Å; K975-E979 VanDerWaalsContact O-CB 3.25Å; K975-E979 WeakPolarHBondContact O-CB 3.46Å; K975-E979 WeakPolarHBondContact O-CG 3.28Å; K975-E979 PolarHBondContact O-N 3.23Å
976R74.2Confident68Low164 Ų16469.1 Ų69.162%0.61934%0.337SS*.Hα-helixtrans-65.7-36.3172.7-79.1-174.1-177.1-178.22.8112.7R972 K973 A974 E979 L980R972-R976 WeakPolarHBondContact O-CG 3.22Å; R972-R976 PolarHBondContact O-N 2.74Å; K973-R976 PolarHBondContact O-N 3.18Å; A974-R976 VanDerWaalsContact C-N 3.33Å; A974-R976 PolarHBondContact O-N 3.39Å; R976-E979 PolarHBondContact O-N 2.97Å; R976-L980 WeakPolarHBondContact O-CB 3.39Å; R976-L980 WeakPolarHBondContact O-CG 3.31Å; R976-L980 PolarHBondContact O-N 3.21Å
977L70.2Confident66.8Low13 Ų1373.1 Ų73.17%0.06835%0.35CS..Hα-helixtrans-71.7-44.2177.5-162.8148.3000110.6L797 K798 I801 K973 A974 K975 E979 L980 E981L797-L977 HydrophobicContact CB-CB 4.43Å; L797-L977 HydrophobicContact CB-CD1 3.54Å; L797-L977 HydrophobicContact CB-CG 4.21Å; K798-L977 HydrophobicContact CB-CD1 4.29Å; K798-L977 HydrophobicContact CG-CD1 3.52Å; K798-L977 HydrophobicContact CG-CD2 4.5Å; I801-L977 HydrophobicContact CD1-CB 3.96Å; I801-L977 HydrophobicContact CD1-CD1 3.62Å; I801-L977 HydrophobicContact CD1-CG 4.33Å; K973-L977 WeakPolarHBondContact O-CB 3.38Å; K973-L977 PolarHBondContact O-N 2.68Å; A974-L977 CarbonylContact O-C 3.49Å; A974-L977 PolarHBondContact O-N 3.31Å; K975-L977 VanDerWaalsContact C-N 3.34Å; L977-E979 VanDerWaalsContact C-N 3.31Å; L977-E979 PolarHBondContact O-N 3.15Å; L977-L980 PolarHBondContact O-N 2.89Å; L977-E981 HydrophobicContact CD2-CG 3.86Å; L977-E981 WeakPolarHBondContact O-CB 3.48Å; L977-E981 WeakPolarHBondContact O-CG 3.39Å; L977-E981 PolarHBondContact O-N 3.36Å
978D69.6Low65.1Low105 Ų10576.5 Ų76.556%0.56137%0.371SS*.Hα-helixtrans-56.1-44.3167.5-79.7-9.6000111A974 L980 H982A974-D978 PolarHBondContact O-N 3.43Å; D978-L980 PolarHBondContact O-N 2.86Å; D978-H982 VanDerWaalsContact O-CB 3.26Å; D978-H982 WeakPolarHBondContact O-CB 3.36Å; D978-H982 PolarHBondContact O-N 3.5Å
979E68.7Low63.2Low88 Ų8879 Ų7941%0.41139%0.386SS..Hα-helixtrans-64.7-36.5177.7-79.5170.6-171.500112.3K975 R976 L977 L983K975-E979 WeakPolarHBondContact CE-OE1 3.34Å; K975-E979 HydrophobicContact CG-CG 4.44Å; K975-E979 IonicContact NZ-OE1 3.5Å; K975-E979 VanDerWaalsContact O-CB 3.25Å; K975-E979 WeakPolarHBondContact O-CB 3.46Å; K975-E979 WeakPolarHBondContact O-CG 3.28Å; K975-E979 PolarHBondContact O-N 3.23Å; R976-E979 PolarHBondContact O-N 2.97Å; L977-E979 VanDerWaalsContact C-N 3.31Å; L977-E979 PolarHBondContact O-N 3.15Å; E979-L983 WeakPolarHBondContact O-CB 3.39Å; E979-L983 WeakPolarHBondContact O-CD1 3.44Å; E979-L983 WeakPolarHBondContact O-CG 3.24Å; E979-L983 PolarHBondContact O-N 3.45Å
980L64.1Low61.4Low28 Ų2878.4 Ų78.415%0.14739%0.39CS..Hα-helixtrans-83.9-29.8179.5-75.4163.5000113.4L790 N794 L797 R976 L977 D978 L983 S984L790-L980 HydrophobicContact CD2-CD2 3.66Å; N794-L980 PolarHBondContact ND2-O 2.92Å; N794-L980 WeakPolarHBondContact OD1-CB 3.4Å; L797-L980 HydrophobicContact CD1-CD1 3.4Å; L797-L980 VanDerWaalsContact CD1-CD1 3.4Å; R976-L980 WeakPolarHBondContact O-CB 3.39Å; R976-L980 WeakPolarHBondContact O-CG 3.31Å; R976-L980 PolarHBondContact O-N 3.21Å; L977-L980 PolarHBondContact O-N 2.89Å; D978-L980 PolarHBondContact O-N 2.86Å; L980-L983 HydrophobicContact CD2-CD1 4.21Å; L980-L983 PolarHBondContact O-N 2.94Å; L980-S984 WeakPolarHBondContact O-CB 3.13Å; L980-S984 PolarHBondContact O-N 3.17Å; L980-S984 PolarHBondContact O-OG 2.96Å
981E63Low59.7Low73 Ų7382.9 Ų82.934%0.34141%0.414SS..Hα-helixtrans-73.2-31.2166-70.1-161.8144.100111.1K798 L977 S984 S985K798-E981 WeakPolarHBondContact CE-OE1 3.43Å; K798-E981 IonicContact NZ-OE1 3.29Å; K798-E981 PolarHBondContact NZ-OE1 2.95Å; L977-E981 HydrophobicContact CD2-CG 3.86Å; L977-E981 WeakPolarHBondContact O-CB 3.48Å; L977-E981 WeakPolarHBondContact O-CG 3.39Å; L977-E981 PolarHBondContact O-N 3.36Å; E981-S984 WeakPolarHBondContact CA-OG 3.48Å; E981-S984 PolarHBondContact O-OG 3.24Å; E981-S985 VanDerWaalsContact O-CB 3.25Å; E981-S985 WeakPolarHBondContact O-CB 3.12Å; E981-S985 PolarHBondContact O-N 3.38Å; E981-S985 PolarHBondContact O-OG 2.89Å
982H62.5Low57.8Low120 Ų12082.5 Ų82.556%0.55642%0.42SS*.Hα-helixtrans-68.6-38.2166.8-118.3-39.7000111.7D978 S985 L986D978-H982 VanDerWaalsContact O-CB 3.26Å; D978-H982 WeakPolarHBondContact O-CB 3.36Å; D978-H982 PolarHBondContact O-N 3.5Å; H982-S985 WeakPolarHBondContact CA-OG 3.28Å; H982-S985 PolarHBondContact O-OG 3.28Å; H982-L986 WeakPolarHBondContact O-CB 3.38Å; H982-L986 WeakPolarHBondContact O-CD1 3.33Å; H982-L986 WeakPolarHBondContact O-CG 3.32Å; H982-L986 PolarHBondContact O-N 2.97Å
983L58.7Low56Low67 Ų6778.3 Ų78.335%0.35142%0.416SS..Hα-helixtrans-71.5-34.5177.1-77.8164.7000112.8E979 L980 R987E979-L983 WeakPolarHBondContact O-CB 3.39Å; E979-L983 WeakPolarHBondContact O-CD1 3.44Å; E979-L983 WeakPolarHBondContact O-CG 3.24Å; E979-L983 PolarHBondContact O-N 3.45Å; L980-L983 HydrophobicContact CD2-CD1 4.21Å; L980-L983 PolarHBondContact O-N 2.94Å; L983-R987 WeakPolarHBondContact O-CB 3.43Å; L983-R987 WeakPolarHBondContact O-CG 3.29Å; L983-R987 PolarHBondContact O-N 3.05Å
984S52.1Low54.5Low23 Ų2380 Ų8016%0.16143%0.428CS..Hα-helixtrans-74.7-38.1172.864.70000111.9L980 E981 R987 T988L980-S984 WeakPolarHBondContact O-CB 3.13Å; L980-S984 PolarHBondContact O-N 3.17Å; L980-S984 PolarHBondContact O-OG 2.96Å; E981-S984 WeakPolarHBondContact CA-OG 3.48Å; E981-S984 PolarHBondContact O-OG 3.24Å; S984-R987 CarbonylContact O-C 3.4Å; S984-R987 PolarHBondContact O-N 3.12Å; S984-R987 VanDerWaalsContact O-N 3.17Å; S984-T988 PolarHBondContact O-N 3.01Å
985S47.9Very low52.6Low58 Ų5881.1 Ų81.141%0.40643%0.427SS..Hα-helixtrans-69.7-34.1173.557.90000113.2E981 H982 R987 T988E981-S985 VanDerWaalsContact O-CB 3.25Å; E981-S985 WeakPolarHBondContact O-CB 3.12Å; E981-S985 PolarHBondContact O-N 3.38Å; E981-S985 PolarHBondContact O-OG 2.89Å; H982-S985 WeakPolarHBondContact CA-OG 3.28Å; H982-S985 PolarHBondContact O-OG 3.28Å; S985-R987 VanDerWaalsContact C-N 3.28Å; S985-T988 PolarHBondContact O-N 2.84Å; S985-T988 PolarHBondContact O-OG1 2.8Å
986L47.9Very low50.9Low118 Ų11880.9 Ų80.962%0.61843%0.43SS*.THydrogen-bonded Turntrans-76.8-10.5169.7-70166.8000113.7H982H982-L986 WeakPolarHBondContact O-CB 3.38Å; H982-L986 WeakPolarHBondContact O-CD1 3.33Å; H982-L986 WeakPolarHBondContact O-CG 3.32Å; H982-L986 PolarHBondContact O-N 2.97Å
987R46.1Very low49.4Very low124 Ų12479.1 Ų79.147%0.46843%0.429SS..THydrogen-bonded Turntrans-112.922.9169.5-67.8-178.7-178-160.66.7112.2T786 L983 S984 S985T786-R987 PolarHBondContact OG1-NH1 3.42Å; L983-R987 WeakPolarHBondContact O-CB 3.43Å; L983-R987 WeakPolarHBondContact O-CG 3.29Å; L983-R987 PolarHBondContact O-N 3.05Å; S984-R987 CarbonylContact O-C 3.4Å; S984-R987 PolarHBondContact O-N 3.12Å; S984-R987 VanDerWaalsContact O-N 3.17Å; S985-R987 VanDerWaalsContact C-N 3.28Å
988T40.3Very low48.1Very low86 Ų8683.1 Ų83.153%0.52845%0.449SS..SBendtrans-56.4144.8160.141.60000108S984 S985S984-T988 PolarHBondContact O-N 3.01Å; S985-T988 PolarHBondContact O-N 2.84Å; S985-T988 PolarHBondContact O-OG1 2.8Å
989P36.6Very low46.9Very low77 Ų7781 Ų8150%0.544%0.437SS..PPolyproline II helixtrans-52.7142.9171.4-24.134000109D991P989-D991 PolarHBondContact O-N 3.27Å; P989-D991 VanDerWaalsContact O-N 3.1Å
990P36.6Very low45.8Very low68 Ų6882.7 Ų82.744%0.44245%0.445SS..PPolyproline II helixtrans-53.7126.6174.824.4-33.2000108.2
991D37.8Very low44.8Very low114 Ų11485.5 Ų85.561%0.6146%0.46SS*.  trans-37130.5178.4-176-11.8000109.9P989 G993 N994 F995P989-D991 PolarHBondContact O-N 3.27Å; P989-D991 VanDerWaalsContact O-N 3.1Å; D991-G993 PolarHBondContact O-N 3.02Å; D991-G993 PolarHBondContact OD1-N 3.29Å; D991-N994 PolarHBondContact O-N 2.96Å; D991-F995 PolarHBondContact O-N 3.05Å
992P36.3Very low44Very low100 Ų10084 Ų8465%0.64945%0.454SS*.Hα-helixtrans-47.4-31174.3-30.636.7000112.8N994 F995 D996P992-N994 PolarHBondContact O-N 2.88Å; P992-N994 VanDerWaalsContact O-N 3.08Å; P992-F995 CarbonylContact O-C 3.54Å; P992-F995 WeakPolarHBondContact O-CA 3.16Å; P992-F995 WeakPolarHBondContact O-CB 3.34Å; P992-F995 PolarHBondContact O-N 3.12Å; P992-F995 VanDerWaalsContact O-N 3.15Å; P992-D996 PolarHBondContact O-N 3.22Å
993G38.9Very low43.4Very low38 Ų3881.9 Ų81.939%0.39245%0.447SS..Hα-helixtrans-64.5-1.5171.600000116.8D991D991-G993 PolarHBondContact O-N 3.02Å; D991-G993 PolarHBondContact OD1-N 3.29Å
994N42.8Very low42.9Very low87 Ų8783.1 Ų83.147%0.46545%0.452SS..Hα-helixtrans-121.3-20.8170.7-138.822.8000112.3D991 P992 D996 Q997D991-N994 PolarHBondContact O-N 2.96Å; P992-N994 PolarHBondContact O-N 2.88Å; P992-N994 VanDerWaalsContact O-N 3.08Å; N994-D996 PolarHBondContact O-N 3.08Å; N994-Q997 PolarHBondContact O-N 3.33Å; N994-Q997 VanDerWaalsContact OD1-CD 3.22Å; N994-Q997 PolarHBondContact OD1-NE2 2.98Å
995F35Very low42.7Very low59 Ų5984.4 Ų84.426%0.25946%0.455SS..Hα-helixtrans-59.3-33.3151.8-135.3-89.2000109.3V776 D991 P992 Q997 L998 I999V776-F995 HydrophobicContact CG1-CE2 4.26Å; V776-F995 HydrophobicContact CG1-CZ 4.27Å; D991-F995 PolarHBondContact O-N 3.05Å; P992-F995 CarbonylContact O-C 3.54Å; P992-F995 WeakPolarHBondContact O-CA 3.16Å; P992-F995 WeakPolarHBondContact O-CB 3.34Å; P992-F995 PolarHBondContact O-N 3.12Å; P992-F995 VanDerWaalsContact O-N 3.15Å; F995-Q997 PolarHBondContact O-N 3.44Å; F995-L998 CarbonylContact O-C 3.54Å; F995-L998 PolarHBondContact O-N 2.71Å; F995-I999 HydrophobicContact CD1-CD1 3.72Å; F995-I999 HydrophobicContact CD1-CG1 3.97Å; F995-I999 HydrophobicContact CE1-CD1 4.47Å; F995-I999 WeakPolarHBondContact O-CB 3.42Å; F995-I999 PolarHBondContact O-N 2.88Å
996D40.5Very low42.9Very low88 Ų8884.5 Ų84.547%0.47145%0.451SS..Hα-helixtrans-56.6-9167.1-87.5-26.3000115.1P992 N994 H1000P992-D996 PolarHBondContact O-N 3.22Å; N994-D996 PolarHBondContact O-N 3.08Å; D996-H1000 WeakPolarHBondContact O-CA 3.13Å; D996-H1000 WeakPolarHBondContact O-CB 3.42Å; D996-H1000 PolarHBondContact O-N 3.16Å
997Q42.6Very low43.2Very low128 Ų12883 Ų8360%0.59844%0.443SS*.Hα-helixtrans-94.3-34.3168.8-66.7-167.929.700112.8N994 F995 H1000 L1001N994-Q997 PolarHBondContact O-N 3.33Å; N994-Q997 VanDerWaalsContact OD1-CD 3.22Å; N994-Q997 PolarHBondContact OD1-NE2 2.98Å; F995-Q997 PolarHBondContact O-N 3.44Å; Q997-H1000 PolarHBondContact O-N 3.02Å; Q997-L1001 PolarHBondContact O-N 2.83Å
998L41.6Very low43.3Very low97 Ų9780.9 Ų80.951%0.50844%0.441SS..Hα-helixtrans-73.4-30.4166.8-98.9162.5000111.8F995 L1001 N1002F995-L998 CarbonylContact O-C 3.54Å; F995-L998 PolarHBondContact O-N 2.71Å; L998-L1001 CarbonylContact O-C 3.54Å; L998-L1001 WeakPolarHBondContact O-CB 3.49Å; L998-L1001 PolarHBondContact O-N 3.1Å; L998-N1002 WeakPolarHBondContact O-CB 3.47Å; L998-N1002 PolarHBondContact O-N 3.25Å
999I45.4Very low43.8Very low60 Ų6080 Ų8031%0.30843%0.429SS..Hα-helixtrans-78.9-24.3165.5-73171000110.7F995 L1001 N1003F995-I999 HydrophobicContact CD1-CD1 3.72Å; F995-I999 HydrophobicContact CD1-CG1 3.97Å; F995-I999 HydrophobicContact CE1-CD1 4.47Å; F995-I999 WeakPolarHBondContact O-CB 3.42Å; F995-I999 PolarHBondContact O-N 2.88Å; I999-L1001 VanDerWaalsContact C-N 3.29Å; I999-N1003 VanDerWaalsContact CG2-ND2 3.32Å; I999-N1003 WeakPolarHBondContact CG2-ND2 3.5Å; I999-N1003 WeakPolarHBondContact O-CA 3.48Å; I999-N1003 WeakPolarHBondContact O-CB 3.42Å; I999-N1003 PolarHBondContact O-N 2.83Å; I999-N1003 PolarHBondContact O-ND2 2.75Å
1000H44.9Very low44.6Very low123 Ų12381.3 Ų81.357%0.56943%0.429SS*.Hα-helixtrans-71-30.1164.7-123.4-67.2000111.6D996 Q997 M1004D996-H1000 WeakPolarHBondContact O-CA 3.13Å; D996-H1000 WeakPolarHBondContact O-CB 3.42Å; D996-H1000 PolarHBondContact O-N 3.16Å; Q997-H1000 PolarHBondContact O-N 3.02Å; H1000-M1004 WeakPolarHBondContact O-CA 3.25Å; H1000-M1004 WeakPolarHBondContact O-CB 3.49Å; H1000-M1004 WeakPolarHBondContact O-CG 3.49Å; H1000-M1004 PolarHBondContact O-N 3.17Å
1001L44.2Very low45.2Very low88 Ų8885.6 Ų85.646%0.46144%0.437SS..Hα-helixtrans-73.3-44.4169.9-88.8156.5000111.4Q997 L998 I999 M1004 F1005Q997-L1001 PolarHBondContact O-N 2.83Å; L998-L1001 CarbonylContact O-C 3.54Å; L998-L1001 WeakPolarHBondContact O-CB 3.49Å; L998-L1001 PolarHBondContact O-N 3.1Å; I999-L1001 VanDerWaalsContact C-N 3.29Å; L1001-M1004 HydrophobicContact CD2-CE 4.13Å; L1001-M1004 CarbonylContact O-C 3.55Å; L1001-M1004 WeakPolarHBondContact O-CB 3.37Å; L1001-M1004 PolarHBondContact O-N 2.91Å; L1001-F1005 WeakPolarHBondContact O-CB 3.5Å; L1001-F1005 WeakPolarHBondContact O-CD2 3.36Å; L1001-F1005 PolarHBondContact O-N 3.04Å
1002N46.4Very low45.8Very low41 Ų4181.7 Ų81.722%0.21942%0.419CS..Hα-helixtrans-66.3-44.2175.6-144.896.2000110.4L998 M1004 F1005 D1006L998-N1002 WeakPolarHBondContact O-CB 3.47Å; L998-N1002 PolarHBondContact O-N 3.25Å; N1002-M1004 VanDerWaalsContact C-N 3.32Å; N1002-M1004 PolarHBondContact O-N 2.65Å; N1002-F1005 CarbonylContact O-C 3.53Å; N1002-F1005 WeakPolarHBondContact O-CA 3.4Å; N1002-F1005 PolarHBondContact O-N 3.13Å; N1002-F1005 VanDerWaalsContact O-N 3.07Å; N1002-D1006 PolarHBondContact ND2-OD2 3.06Å; N1002-D1006 WeakPolarHBondContact O-CB 3.27Å; N1002-D1006 VanDerWaalsContact O-CG 3.27Å; N1002-D1006 PolarHBondContact O-N 3.33Å
1003N48.8Very low46.4Very low75 Ų7580.9 Ų80.940%0.40141%0.409SS..Hα-helixtrans-67.9-26.3171.5-65.5-15.2000112.6I999 L1007I999-N1003 VanDerWaalsContact CG2-ND2 3.32Å; I999-N1003 WeakPolarHBondContact CG2-ND2 3.5Å; I999-N1003 WeakPolarHBondContact O-CA 3.48Å; I999-N1003 WeakPolarHBondContact O-CB 3.42Å; I999-N1003 PolarHBondContact O-N 2.83Å; I999-N1003 PolarHBondContact O-ND2 2.75Å; N1003-L1007 WeakPolarHBondContact O-CA 3.27Å; N1003-L1007 WeakPolarHBondContact O-CB 3.47Å; N1003-L1007 WeakPolarHBondContact O-CD1 3.4Å; N1003-L1007 WeakPolarHBondContact O-CG 3.4Å; N1003-L1007 PolarHBondContact O-N 3.16Å
1004M48.8Very low46.8Very low94 Ų9485 Ų8546%0.46342%0.418SS..Hα-helixtrans-72.1-34.8168.1-92.4172.930.800111.2H1000 L1001 N1002 L1008H1000-M1004 WeakPolarHBondContact O-CA 3.25Å; H1000-M1004 WeakPolarHBondContact O-CB 3.49Å; H1000-M1004 WeakPolarHBondContact O-CG 3.49Å; H1000-M1004 PolarHBondContact O-N 3.17Å; L1001-M1004 HydrophobicContact CD2-CE 4.13Å; L1001-M1004 CarbonylContact O-C 3.55Å; L1001-M1004 WeakPolarHBondContact O-CB 3.37Å; L1001-M1004 PolarHBondContact O-N 2.91Å; N1002-M1004 VanDerWaalsContact C-N 3.32Å; N1002-M1004 PolarHBondContact O-N 2.65Å; M1004-L1008 VanDerWaalsContact O-CB 3.25Å; M1004-L1008 WeakPolarHBondContact O-CB 3.44Å; M1004-L1008 WeakPolarHBondContact O-CD1 3.34Å; M1004-L1008 VanDerWaalsContact O-CG 3.25Å; M1004-L1008 WeakPolarHBondContact O-CG 3.24Å; M1004-L1008 PolarHBondContact O-N 2.82Å
1005F47.6Very low47.1Very low50 Ų5084.3 Ų84.322%0.21942%0.417CS..Hα-helixtrans-74-37173-94.4-80.3000111.9H765 I769 L1001 N1002 L1007 L1008 K1009H765-F1005 HydrophobicContact CB-CE1 3.55Å; H765-F1005 HydrophobicContact CB-CZ 3.9Å; I769-F1005 HydrophobicContact CD1-CB 4.13Å; I769-F1005 HydrophobicContact CD1-CD1 3.63Å; I769-F1005 HydrophobicContact CD1-CD2 3.48Å; I769-F1005 VanDerWaalsContact CD1-CD2 3.48Å; I769-F1005 HydrophobicContact CD1-CE1 3.86Å; I769-F1005 HydrophobicContact CD1-CE2 3.71Å; I769-F1005 HydrophobicContact CD1-CG 3.43Å; I769-F1005 VanDerWaalsContact CD1-CG 3.43Å; I769-F1005 HydrophobicContact CD1-CZ 3.89Å; L1001-F1005 WeakPolarHBondContact O-CB 3.5Å; L1001-F1005 WeakPolarHBondContact O-CD2 3.36Å; L1001-F1005 PolarHBondContact O-N 3.04Å; N1002-F1005 CarbonylContact O-C 3.53Å; N1002-F1005 WeakPolarHBondContact O-CA 3.4Å; N1002-F1005 PolarHBondContact O-N 3.13Å; N1002-F1005 VanDerWaalsContact O-N 3.07Å; F1005-L1007 VanDerWaalsContact C-N 3.34Å; F1005-L1008 CarbonylContact O-C 3.54Å; F1005-L1008 PolarHBondContact O-N 2.79Å; F1005-K1009 WeakPolarHBondContact O-CA 3.44Å; F1005-K1009 WeakPolarHBondContact O-CB 3.31Å; F1005-K1009 PolarHBondContact O-N 3Å
1006D52Low47.7Very low59 Ų5984.5 Ų84.532%0.31643%0.43SS..Hα-helixtrans-73.6-25.3172.2-66.2-47.8000111N1002 Q1010N1002-D1006 PolarHBondContact ND2-OD2 3.06Å; N1002-D1006 WeakPolarHBondContact O-CB 3.27Å; N1002-D1006 VanDerWaalsContact O-CG 3.27Å; N1002-D1006 PolarHBondContact O-N 3.33Å; D1006-Q1010 WeakPolarHBondContact O-CA 3.49Å; D1006-Q1010 WeakPolarHBondContact O-CB 3.38Å; D1006-Q1010 VanDerWaalsContact O-CD 3.31Å; D1006-Q1010 WeakPolarHBondContact O-CG 3.39Å; D1006-Q1010 PolarHBondContact O-N 2.62Å
1007L53.6Low48Very low87 Ų8784.4 Ų84.446%0.45544%0.436SS..Hα-helixtrans-79.7-33.3167.5-79.6166.1000112.3N1003 F1005 K1009 Y1011N1003-L1007 WeakPolarHBondContact O-CA 3.27Å; N1003-L1007 WeakPolarHBondContact O-CB 3.47Å; N1003-L1007 WeakPolarHBondContact O-CD1 3.4Å; N1003-L1007 WeakPolarHBondContact O-CG 3.4Å; N1003-L1007 PolarHBondContact O-N 3.16Å; F1005-L1007 VanDerWaalsContact C-N 3.34Å; L1007-K1009 VanDerWaalsContact C-N 3.35Å; L1007-Y1011 VanDerWaalsContact O-CB 3.31Å; L1007-Y1011 WeakPolarHBondContact O-CB 3.2Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.43Å; L1007-Y1011 PolarHBondContact O-N 2.89Å
1008L48.6Very low48.1Very low80 Ų8082.4 Ų82.442%0.41944%0.441SS..Hα-helixtrans-72.1-33.1171.1-81.7163.4000111.3M1004 F1005 S1012M1004-L1008 VanDerWaalsContact O-CB 3.25Å; M1004-L1008 WeakPolarHBondContact O-CB 3.44Å; M1004-L1008 WeakPolarHBondContact O-CD1 3.34Å; M1004-L1008 VanDerWaalsContact O-CG 3.25Å; M1004-L1008 WeakPolarHBondContact O-CG 3.24Å; M1004-L1008 PolarHBondContact O-N 2.82Å; F1005-L1008 CarbonylContact O-C 3.54Å; F1005-L1008 PolarHBondContact O-N 2.79Å; L1008-S1012 VanDerWaalsContact O-CB 3.26Å; L1008-S1012 WeakPolarHBondContact O-CB 3.12Å; L1008-S1012 PolarHBondContact O-N 3.18Å
1009K51.5Low48Very low67 Ų6782.8 Ų82.829%0.29145%0.451SS..Hα-helixtrans-75.6-40.7173-173.2171.1-170.7146.30110.8E766 F1005 L1007 S1012 D1013E766-K1009 VanDerWaalsContact OE1-CD 3.3Å; E766-K1009 WeakPolarHBondContact OE1-CD 3.18Å; E766-K1009 VanDerWaalsContact OE1-CE 3.31Å; E766-K1009 WeakPolarHBondContact OE1-CE 3.37Å; E766-K1009 IonicContact OE1-NZ 2.77Å; E766-K1009 PolarHBondContact OE1-NZ 3.32Å; E766-K1009 IonicContact OE2-NZ 3.12Å; E766-K1009 PolarHBondContact OE2-NZ 3.3Å; F1005-K1009 WeakPolarHBondContact O-CA 3.44Å; F1005-K1009 WeakPolarHBondContact O-CB 3.31Å; F1005-K1009 PolarHBondContact O-N 3Å; L1007-K1009 VanDerWaalsContact C-N 3.35Å; K1009-S1012 CarbonylContact O-C 3.54Å; K1009-S1012 WeakPolarHBondContact O-CB 3.47Å; K1009-S1012 PolarHBondContact O-N 3.04Å; K1009-D1013 WeakPolarHBondContact O-CB 3.49Å; K1009-D1013 PolarHBondContact O-N 3.48Å
1010Q52.5Low47.5Very low105 Ų10586.9 Ų86.949%0.49147%0.473SS..Hα-helixtrans-63.4-39.9167.5-77.6163.314.600111.2D1006 S1012 D1013 E1014D1006-Q1010 WeakPolarHBondContact O-CA 3.49Å; D1006-Q1010 WeakPolarHBondContact O-CB 3.38Å; D1006-Q1010 VanDerWaalsContact O-CD 3.31Å; D1006-Q1010 WeakPolarHBondContact O-CG 3.39Å; D1006-Q1010 PolarHBondContact O-N 2.62Å; Q1010-S1012 VanDerWaalsContact C-N 3.33Å; Q1010-S1012 PolarHBondContact O-N 2.99Å; Q1010-D1013 PolarHBondContact O-N 3.27Å; Q1010-E1014 WeakPolarHBondContact O-CA 3.41Å; Q1010-E1014 WeakPolarHBondContact O-CB 3.36Å; Q1010-E1014 WeakPolarHBondContact O-CG 3.42Å; Q1010-E1014 PolarHBondContact O-N 3Å
1011Y49.4Very low46.9Very low157 Ų15790.4 Ų90.462%0.61649%0.49SS*.Hα-helixtrans-68.5-29.5172.5-96.4-107.4000113.2L1007 V1015L1007-Y1011 VanDerWaalsContact O-CB 3.31Å; L1007-Y1011 WeakPolarHBondContact O-CB 3.2Å; L1007-Y1011 WeakPolarHBondContact O-CD2 3.43Å; L1007-Y1011 PolarHBondContact O-N 2.89Å; Y1011-V1015 VanDerWaalsContact O-CB 3.31Å; Y1011-V1015 WeakPolarHBondContact O-CB 3.37Å; Y1011-V1015 WeakPolarHBondContact O-CG2 3.12Å; Y1011-V1015 PolarHBondContact O-N 3.08Å
1012S49.7Very low46.3Very low33 Ų3390.1 Ų90.123%0.23151%0.508CS..Hα-helixtrans-69.3-49.7171.8176.70000110.9L1008 K1009 Q1010 V1015 A1016L1008-S1012 VanDerWaalsContact O-CB 3.26Å; L1008-S1012 WeakPolarHBondContact O-CB 3.12Å; L1008-S1012 PolarHBondContact O-N 3.18Å; K1009-S1012 CarbonylContact O-C 3.54Å; K1009-S1012 WeakPolarHBondContact O-CB 3.47Å; K1009-S1012 PolarHBondContact O-N 3.04Å; Q1010-S1012 VanDerWaalsContact C-N 3.33Å; Q1010-S1012 PolarHBondContact O-N 2.99Å; S1012-V1015 PolarHBondContact O-N 3.02Å; S1012-A1016 VanDerWaalsContact O-CB 3.31Å; S1012-A1016 WeakPolarHBondContact O-CB 3.25Å; S1012-A1016 PolarHBondContact O-N 3.16Å
1013D49.5Very low45.7Very low83 Ų8392 Ų9244%0.44454%0.537SS..Hα-helixtrans-77.2-29.5-174.2-65.3-8.1000111.5K1009 Q1010 S1017K1009-D1013 WeakPolarHBondContact O-CB 3.49Å; K1009-D1013 PolarHBondContact O-N 3.48Å; Q1010-D1013 PolarHBondContact O-N 3.27Å; D1013-S1017 WeakPolarHBondContact O-CA 3.2Å; D1013-S1017 WeakPolarHBondContact O-CB 3.36Å; D1013-S1017 PolarHBondContact O-N 3.08Å
1014E47.8Very low45Very low124 Ų12493 Ų9358%0.57956%0.556SS**Hα-helixtrans-71.3-36.9169.4-74.4-177.2156.400111.2Q1010 A1018Q1010-E1014 WeakPolarHBondContact O-CA 3.41Å; Q1010-E1014 WeakPolarHBondContact O-CB 3.36Å; Q1010-E1014 WeakPolarHBondContact O-CG 3.42Å; Q1010-E1014 PolarHBondContact O-N 3Å; E1014-A1018 VanDerWaalsContact O-CB 3.22Å; E1014-A1018 WeakPolarHBondContact O-CB 3.45Å; E1014-A1018 PolarHBondContact O-N 3.22Å
1015V49.6Very low44.3Very low72 Ų7293.5 Ų93.544%0.43658%0.575SS.*Hα-helixtrans-71.1-37.3173.6169.90000111.5Y1011 S1012Y1011-V1015 VanDerWaalsContact O-CB 3.31Å; Y1011-V1015 WeakPolarHBondContact O-CB 3.37Å; Y1011-V1015 WeakPolarHBondContact O-CG2 3.12Å; Y1011-V1015 PolarHBondContact O-N 3.08Å; S1012-V1015 PolarHBondContact O-N 3.02Å
1016A47.6Very low43.7Very low64 Ų6495 Ų9553%0.52960%0.597SS.*Hα-helixtrans-73.6-39.7174.900000112.9S1012 C1019S1012-A1016 VanDerWaalsContact O-CB 3.31Å; S1012-A1016 WeakPolarHBondContact O-CB 3.25Å; S1012-A1016 PolarHBondContact O-N 3.16Å; A1016-C1019 WeakPolarHBondContact O-CB 3.26Å; A1016-C1019 PolarHBondContact O-N 3.36Å
1017S45Very low42.7Very low85 Ų85102 Ų10259%0.59463%0.625SS**Hα-helixtrans-73.2-28.5179.4-173.40000112.4D1013 C1019 N1020D1013-S1017 WeakPolarHBondContact O-CA 3.2Å; D1013-S1017 WeakPolarHBondContact O-CB 3.36Å; D1013-S1017 PolarHBondContact O-N 3.08Å; S1017-C1019 PolarHBondContact O-N 3.14Å; S1017-N1020 PolarHBondContact O-N 2.69Å; S1017-N1020 VanDerWaalsContact O-N 3.13Å
1018A45Very low41.7Very low87 Ų87102.9 Ų102.972%0.71964%0.644SS**THydrogen-bonded Turntrans-59.6-8.7168.500000114E1014E1014-A1018 VanDerWaalsContact O-CB 3.22Å; E1014-A1018 WeakPolarHBondContact O-CB 3.45Å; E1014-A1018 PolarHBondContact O-N 3.22Å
1019C40Very low40.8Very low104 Ų104108.7 Ų108.770%0.70367%0.666SS**THydrogen-bonded Turntrans-106.310.6177.5-62.90000114.8A1016 S1017A1016-C1019 WeakPolarHBondContact O-CB 3.26Å; A1016-C1019 PolarHBondContact O-N 3.36Å; S1017-C1019 PolarHBondContact O-N 3.14Å
1020N35.6Very low40Very low147 Ų147110.8 Ų110.879%0.78669%0.686SS**  trans-145.9134.9170.9-110.5-40.4000114.2S1017S1017-N1020 PolarHBondContact O-N 2.69Å; S1017-N1020 VanDerWaalsContact O-N 3.13Å
1021E31.6Very low39.1Very low197 Ų197112.9 Ų112.992%0.92171%0.706SS**  trans-85.4153-177.7-52177.6129.600111.7
1022G32.6Very low38.3Very low81 Ų81111.5 Ų111.584%0.83571%0.709SS**  trans155.81.4159.400000123.4
1023G32.2Very low37.4Very low81 Ų81119 Ų11984%0.83574%0.738SS**  trans69-169.317400000115.8
1024A34.5Very low36.7Very low96 Ų96118.8 Ų118.879%0.79375%0.748SS**  cis-159140.4-1100000111.8
1025A34Very low36Very low105 Ų105119.8 Ų119.887%0.86876%0.757SS**  trans62.9164.9161.200000118.7
1026A34.5Very low35.2Very low81 Ų81122.8 Ų122.867%0.66978%0.775SS**  cis-167.5144.4-3700000111.9
1027K31.3Very low34.5Very low207 Ų207124.1 Ų124.190%0.979%0.787SS**  trans48.7118.2146.6-61.1169-177.4175.30120.6
1028A32.9Very low34Very low105 Ų105124.7 Ų124.787%0.86880%0.796SS**  trans-153.5147.5130.900000112.5
1029K29.6Very low33.4Very low202 Ų202125.4 Ų125.488%0.87880%0.796SS**  trans-141.4-177.2166.8-70.8-171.4177.9-172.10106.2
1030P35.7Very low33.2Very low111 Ų111126.5 Ų126.572%0.72181%0.805SS**  -111.4-164.2-60.938-24.6000109.2
1031V33Very low33.2Very low148 Ų148123.4 Ų123.490%0.89781%0.808SS**  trans-128.5136.8161.2-177.90000109.2
1032D32.2Very low33.2Very low129 Ų129119.5 Ų119.569%0.6980%0.802SS**  trans-125.2-171.9-179.2-139.7-37.9000108.7
1033F31.4Very low33.2Very low190 Ų190121 Ų12183%0.83380%0.797SS**  trans86104.8-177.5-64.1-83.5000115.4
1034A33.4Very low32.8Very low79 Ų79121.5 Ų121.565%0.65379%0.793SS**  cis102.8176.913.100000116.3
1035D33.8Very low32.4Very low145 Ų145126.2 Ų126.278%0.77580%0.796SS**  trans75.7135.1-179.2-58.3-27.5000116.6
1036V32.7Very low32Very low134 Ų134127.3 Ų127.381%0.81279%0.791SS**  cis-133.1137.67.9-177.80000113
1037A33.6Very low31.8Very low93 Ų93130.9 Ų130.977%0.76979%0.794SS**  trans-26.3170.7153.700000119.2
1038A33.7Very low31.5Very low96 Ų96127.1 Ų127.179%0.79378%0.784SS**  cis-160-161.610.300000109.3
1039S33.6Very low31.4Very low103 Ų103131.7 Ų131.772%0.7278%0.78SS**  cis-168.9155.3-3.940.90000111.5
1040S35Very low31.7Very low126 Ų126130 Ų13088%0.88178%0.775SS**  trans69.7134.6156.973.50000120.8
1041G35.5Very low31.6Very low83 Ų83129.5 Ų129.586%0.85677%0.772SS**  trans151.8142.9175.600000112.7
1042S32.8Very low31.6Very low115 Ų115129.3 Ų129.380%0.80477%0.765SS**  trans-154168.7-171.3-164.10000110.3
1043P31.2Very low31.6Very low112 Ų112130.1 Ų130.173%0.72777%0.769SS**  -126.6177.7-55.338-25.1000113.6
1044A25.2Very low31.7Very low91 Ų91126.9 Ų126.975%0.75277%0.77SS**  trans73.1109.6153.300000122.1
1045K25.2Very low31.4Very low196 Ų196128.2 Ų128.285%0.85278%0.775SS**  trans60.594.2143-65.6-174.8177.9-179.60121.1
1046V25.9Very low31.3Very low127 Ų127127 Ų12777%0.7777%0.772SS**  trans67.3147.6142.8-149.80000118.5
1047H29.9Very low31Very low157 Ų157126 Ų12673%0.72777%0.767SS**  trans79128.8165.7-79.1-83.5000121.1
1048D25.3Very low30.8Very low128 Ų128127.3 Ų127.368%0.68476%0.761SS**  trans51154.1140.8-51.7-43.8000126.3
1049Y29.9Very low30.6Very low201 Ų201128.8 Ų128.879%0.78876%0.756SS**  trans88122.6156.8-77.5-80.3000125.4
1050E36.1Very low30.5Very low166 Ų166130.4 Ų130.478%0.77676%0.761SS**  trans54.4177.6136.7-85.8-178-145.500122.4
1051P35.2Very low30.2Very low100 Ų100132.7 Ų132.765%0.64976%0.758SS**  cis-142.8-179.98.145.7-26.6000120.4
1052L32.1Very low30.2Very low145 Ų145133.5 Ų133.576%0.75975%0.748SS**  trans74115.7139.6-80.9162000127.6
1053N31.4Very low30.1Very low145 Ų145132.5 Ų132.578%0.77575%0.746SS**  trans42.8128.1131.4-74.2-1.4000125.9
1054S33.9Very low30.4Very low122 Ų122132.5 Ų132.585%0.85375%0.746SS**  -169.2157.9103.2350000114.4
1055S27.7Very low30.6Very low107 Ų107135.9 Ų135.975%0.74875%0.751SS**  trans-74157.4-166.551.90000118.4
1056V30.6Very low31.1Very low119 Ų119132 Ų13272%0.72175%0.746SS**  176.4119.2117.1146.40000113
1057T27.7Very low31.2Very low113 Ų113129.4 Ų129.469%0.69375%0.745SS**  trans48.7140.8152.465.10000121.9
1058N29.7Very low31.1Very low122 Ų122128.2 Ų128.265%0.65275%0.749SS**  cis-157.11495.3-115.425.1000114.4
1059D28.4Very low31.1Very low127 Ų127130 Ų13068%0.67976%0.755SS**  trans67.7140.4141.1-49-23.2000125.7
1060V32.3Very low31.1Very low136 Ų136127.3 Ų127.382%0.82476%0.759SS**  trans6396.7164.8-154.90000116.1
1061E28.5Very low30.6Very low175 Ų175127.7 Ų127.782%0.81876%0.761SS**  cis74.6160.538.8-123.9-148172.300114.5
1062P35.6Very low30.5Very low100 Ų100128.1 Ų128.165%0.64976%0.763SS**  -117.2-179.8-98.842.5-29000113.7
1063A31.3Very low30.2Very low94 Ų94128.9 Ų128.978%0.77777%0.768SS**  -176.2149.886.100000113.7
1064P37.7Very low30.1Very low111 Ų111126.4 Ų126.472%0.72177%0.767SS**  trans-109.4-170.7170.338.9-29.9000113.9
1065L29Very low29.6Very low162 Ų162128.8 Ų128.885%0.84877%0.765SS**  trans89.6163.8173.4-50.8172000115.9
1066P34.6Very low29.5Very low116 Ų116128.7 Ų128.775%0.75376%0.764SS**  -140.6174.5-64.741.8-26.2000114.9
1067G28.4Very low29.1Very low72 Ų72127.9 Ų127.974%0.74276%0.763SS**  trans87.4176.8162.700000115.7
1068T27.6Very low29.1Very low132 Ų132128.7 Ų128.781%0.8177%0.771SS**  cis-146.3166.71.1-47.30000110.9
1069M25.1Very low28.9Very low165 Ų165129 Ų12981%0.81377%0.773SS**  trans-43.9138.6175.5-57.115760.600115.4
1070V30.6Very low28.7Very low144 Ų144132.2 Ų132.287%0.87378%0.776SS**  trans-136.4135.2133.3178.90000107.9
1071Q25.1Very low28.4Very low175 Ų175132.4 Ų132.482%0.81877%0.768SS**  trans-116.6176.2173-121.2-160-20.700109.3
1072P32.7Very low28.4Very low108 Ų108130.7 Ų130.770%0.70177%0.765SS**  trans-79.7158.9-138.635.9-39000114.7
1073L26.4Very low27.8Very low162 Ų162130.7 Ų130.785%0.84877%0.768SS**  trans-117.6127.1155-84.9164.7000108.9
1074A28.5Very low27.8Very low93 Ų93130.7 Ų130.777%0.76976%0.76SS**  trans-115.8129.7170.600000107.6
1075E24.9Very low27.2Very low172 Ų172135.3 Ų135.380%0.80476%0.764SS**  trans-149.3130.8175.8-121.1157.5-138.700112.8
1076S24.3Very low27.1Very low105 Ų105136.8 Ų136.873%0.73477%0.766SS**  trans34.3110.215743.70000120.9
1077S22.4Very low26.8Very low101 Ų101138.9 Ų138.971%0.70677%0.77SS**  trans-65.5144.8147.9-46.60000111.4N1079S1077-N1079 PolarHBondContact O-N 3.13Å
1078P29Very low26.7Very low131 Ų131139.8 Ų139.885%0.85177%0.765SS**  trans-69.2118.7153.2-12.928.9000109.4
1079N23.8Very low26.7Very low129 Ų129136.9 Ų136.969%0.6974%0.743SS**  trans-79.6-165.7166.3-80.2-36.7000110.6S1077S1077-N1079 PolarHBondContact O-N 3.13Å
1080Y25.9Very low27Very low193 Ų193133.9 Ų133.976%0.75774%0.744SS**  trans85.488.6-177.1-59.7-76.6000113.7
1081E24.8Very low27Very low140 Ų140134.5 Ų134.565%0.65474%0.738SS**  67.9130.667.1-56.5171.5-172.100111.7
1082N28Very low27.1Very low139 Ų139129.7 Ų129.774%0.74372%0.715SS**  -151.1161.153.9-115.7-68000117.9
1083S24.9Very low27.1Very low101 Ų101134.1 Ų134.171%0.70673%0.726SS**  trans-54.1176.7165.6-130.60000113.6
1084P29.9Very low27.3Very low94 Ų94131.2 Ų131.261%0.6172%0.719SS**  cis-133.4167.10.241-25.8000115.6
1085Y25.9Very low27.3Very low208 Ų208131.8 Ų131.882%0.81671%0.707SS**  trans-173.678137.5-90-56.2000110.3
1086H26.9Very low27.5Very low192 Ų192125.4 Ų125.489%0.88968%0.678SS**  trans-135.963.3168.4-160-81000111.5
1087L27.6Very low27.7Very low161 Ų161128 Ų12884%0.84368%0.679SS**  trans-91.4151.7169.3-103.2156.5000110.3
1088S25.7Very low27.9Very low91 Ų91132.4 Ų132.464%0.63668%0.68SS**  trans-67.2133.5-162.847.40000114.4
1089M28.4Very low28Very low71 Ų71131.6 Ų131.635%0.3567%0.673SS.*  trans-107.216172.2-131.3-175.7177.300114.5Q1091 F1092 L1171 P1172M1089-Q1091 PolarHBondContact O-N 3.13Å; M1089-F1092 HydrophobicContact CE-CB 3.98Å; M1089-F1092 HydrophobicContact CE-CD1 4.05Å; M1089-F1092 HydrophobicContact CE-CD2 3.72Å; M1089-F1092 HydrophobicContact CE-CE1 4.48Å; M1089-F1092 HydrophobicContact CE-CE2 4.18Å; M1089-F1092 HydrophobicContact CE-CG 3.64Å; M1089-F1092 HydrophobicContact CG-CB 4.21Å; M1089-F1092 HydrophobicContact CG-CD2 4.4Å; M1089-F1092 PolarHBondContact O-N 3.25Å; M1089-L1171 HydrophobicContact CE-CG 4.25Å; M1089-P1172 HydrophobicContact CE-CB 4.43Å; M1089-P1172 HydrophobicContact SD-CB 3.94Å; M1089-P1172 HydrophobicContact SD-CG 3.87Å
1090A30.7Very low28.3Very low101 Ų101133.3 Ų133.384%0.83568%0.681SS**THydrogen-bonded Turntrans-67.417.6176.200000114.9
1091Q30.4Very low28.5Very low157 Ų157127.5 Ų127.573%0.73467%0.673SS**THydrogen-bonded Turntrans-128.1-3.6-177.3-71.3-177.8-32.300113.9M1089M1089-Q1091 PolarHBondContact O-N 3.13Å
1092F28.8Very low28.8Very low75 Ų75128.4 Ų128.433%0.32968%0.682SS.*SBendtrans-95.8-2.6-172.2-114.8-92.7000116.2M1089 A1176M1089-F1092 HydrophobicContact CE-CB 3.98Å; M1089-F1092 HydrophobicContact CE-CD1 4.05Å; M1089-F1092 HydrophobicContact CE-CD2 3.72Å; M1089-F1092 HydrophobicContact CE-CE1 4.48Å; M1089-F1092 HydrophobicContact CE-CE2 4.18Å; M1089-F1092 HydrophobicContact CE-CG 3.64Å; M1089-F1092 HydrophobicContact CG-CB 4.21Å; M1089-F1092 HydrophobicContact CG-CD2 4.4Å; M1089-F1092 PolarHBondContact O-N 3.25Å; F1092-A1176 HydrophobicContact CZ-CB 4.1Å
1093Q31.7Very low29Very low201 Ų201126.6 Ų126.694%0.93968%0.68SS**SBendtrans-89-3.7-177.4-70.4-178.4-20.900114.5
1094S30.6Very low29.4Very low100 Ų100127.1 Ų127.170%0.69968%0.684SS**SBendtrans-87.8-32.2-165.657.20000115.7
1095M28.6Very low29.5Very low105 Ų105127.7 Ų127.752%0.51769%0.69SS.*SBendtrans-101.913.2-152.6-167.214716600115.5L1128M1095-L1128 HydrophobicContact CB-CB 4.01Å; M1095-L1128 HydrophobicContact CB-CD1 3.85Å; M1095-L1128 HydrophobicContact CB-CG 4.3Å; M1095-L1128 HydrophobicContact CE-CB 4.41Å; M1095-L1128 HydrophobicContact CE-CG 4.12Å; M1095-L1128 HydrophobicContact CG-CB 3.89Å; M1095-L1128 HydrophobicContact CG-CD1 4.1Å; M1095-L1128 HydrophobicContact CG-CG 4.11Å; M1095-L1128 HydrophobicContact SD-CB 3.95Å; M1095-L1128 HydrophobicContact SD-CD1 3.53Å; M1095-L1128 VanDerWaalsContact SD-CD1 3.53Å; M1095-L1128 HydrophobicContact SD-CG 3.49Å; M1095-L1128 WeakPolarHBondContact SD-CG 3.35Å
1096N29.7Very low29.9Very low39 Ų39122.4 Ų122.421%0.20969%0.69CS.*  trans-150.287.3-176.5-121-48.3000117.4L1128 H1129 R1130 D1161N1096-L1128 PolarHBondContact ND2-O 2.71Å; N1096-H1129 PolarHBondContact ND2-O 3.01Å; N1096-R1130 HydrophobicContact CB-CB 3.65Å; N1096-R1130 HydrophobicContact CB-CG 3.72Å; N1096-R1130 WeakPolarHBondContact ND2-CB 3.33Å; N1096-R1130 PolarHBondContact ND2-N 2.76Å; N1096-R1130 WeakPolarHBondContact O-CD 3.24Å; N1096-R1130 WeakPolarHBondContact OD1-CD 2.96Å; N1096-R1130 PolarHBondContact OD1-NE 3.11Å; N1096-D1161 PolarHBondContact ND2-OD2 2.69Å; N1096-D1161 PolarHBondContact OD1-OD2 2.78Å
1097Q27.2Very low30.4Very low158 Ų158118.2 Ų118.274%0.73868%0.68SS**  trans-134154.1160.3-64-177.7-2.300108.7
1098R28.4Very low30.8Very low194 Ų194120.3 Ų120.373%0.73268%0.682SS**  trans72.5154.9176.8-41.7166.8-171.3-178.60.7111.8
1099T29.5Very low31.2Very low114 Ų114119.9 Ų119.970%0.69969%0.692SS**  cis-154.9175.215-30.20000110.9
1100L30.2Very low31.5Very low166 Ų166120.1 Ų120.187%0.86971%0.713SS**  trans85.7139.6162.1-56.8143.5000117.1
1101A31Very low31.7Very low71 Ų71122.7 Ų122.759%0.58771%0.711SS**  cis-164.9163.1-17.900000112
1102N31.6Very low32Very low159 Ų159124.5 Ų124.585%0.8572%0.717SS**  trans71.2135.2167.1-59.2-12.9000117
1103S32.1Very low32.7Very low100 Ų100126 Ų12670%0.69973%0.734SS**  cis-160.2147.6-2.845.10000113.3
1104S32.5Very low33.3Very low112 Ų112122.5 Ų122.578%0.78373%0.729SS**  trans59.3141161.647.30000119.3
1105S32.8Very low33.6Very low106 Ų106121 Ų12174%0.74173%0.729SS**  cis-170.9119.8-11.844.70000108.5
1106A32.9Very low34Very low97 Ų97123.4 Ų123.480%0.80274%0.744SS**  76.9159.695.400000114.8
1107P38.8Very low34.1Very low105 Ų105126.4 Ų126.468%0.68276%0.764SS**  cis-139-168.911.731.8-6.3000117.3
1108F34.8Very low34.5Very low205 Ų205125.5 Ų125.590%0.89976%0.764SS**  trans73.7117.6174.7-67.2-88.9000117.9
1109G34.9Very low34.7Very low82 Ų82122.3 Ų122.385%0.84576%0.761SS**  cis127142.7-3.700000112.9
1110G34.3Very low34.9Very low75 Ų75126.9 Ų126.977%0.77377%0.765SS**  cis-123.1-123.5-0.400000113.1
1111I34.3Very low34.8Very low156 Ų156126.1 Ų126.180%0.876%0.762SS**  cis-147.7120.82.6-77.3-175.1000111.6
1112F36.9Very low34.7Very low195 Ų195127.4 Ų127.486%0.85577%0.773SS**  trans63.2134.8147.9-75.6-95.4000128.2
1113P43.2Very low35Very low107 Ų107124.6 Ų124.670%0.69577%0.771SS**  trans-123.9-138.9-174.540.6-16.2000111.5
1114P45.5Very low35.2Very low127 Ų127126.3 Ų126.383%0.82578%0.777SS**  cis-136.7-168.1-2042.1-23000115.8
1115G36.4Very low35.9Very low68 Ų68125.3 Ų125.370%0.70178%0.776SS**  trans155.1109.6147.800000121.6
1116N36Very low36.8Very low156 Ų156126 Ų12683%0.83477%0.767SS**  trans42157.7144-72.813.3000124.7
1117T33.2Very low38.6Very low102 Ų102128.3 Ų128.363%0.62676%0.759SS**  cis-171.8157.3-2830.90000111.2
1118N34.2Very low40.7Very low138 Ų138125.4 Ų125.474%0.73874%0.737SS**  trans88.1120.2146.3-69.7-14.9000125.6
1119L33.8Very low43Very low128 Ų128116.1 Ų116.167%0.6770%0.697SS**  trans69.5130.4132.7-86.879.3000125.8
1120R32.8Very low45.6Very low209 Ų209114.6 Ų114.679%0.78967%0.666SS**  trans80.8117.4138.5-77.5178.7175.7166.5-1.3122.8
1121N28.6Very low48.2Very low150 Ų150112.5 Ų112.580%0.80264%0.635SS**  trans72147.8137.8-62.710.4000120.8
1122A30Very low50.8Low99 Ų99108.8 Ų108.882%0.81862%0.617SS**SBendtrans69.8153.1176.200000117.1
1123A37.1Very low53.2Low99 Ų99102.2 Ų102.282%0.81859%0.593SS**  trans46.688.4175.100000116.7A1125A1123-A1125 PolarHBondContact O-N 2.74Å
1124V36.6Very low55.3Low136 Ų13698 Ų9882%0.82457%0.567SS**  trans-72.299169.9-178.40000109.7H1126V1124-H1126 PolarHBondContact O-N 2.96Å
1125A46.3Very low57.3Low91 Ų9196.5 Ų96.575%0.75255%0.551SS**PPolyproline II helixtrans-65.4122.4170.100000110.3A1123A1123-A1125 PolarHBondContact O-N 2.74Å
1126H53.1Low59.8Low121 Ų12194 Ų9456%0.5652%0.521SS*.PPolyproline II helixtrans-66.5144177-61.4-96.4000110.9V1124 A1177V1124-H1126 PolarHBondContact O-N 2.96Å; H1126-A1177 HydrophobicContact CB-CB 3.67Å
1127K69.7Low62.1Low145 Ų14591.7 Ų91.763%0.6352%0.515SS*.BIsolated β-bridgetrans-76.3166.6171.8-67.2179.5177.2179.10110C1178K1127-C1178 HydrophobicContact CB-CB 4.31Å; K1127-C1178 PolarHBondContact N-O 3.1Å; K1127-C1178 WeakPolarHBondContact O-CB 3.36Å; K1127-C1178 PolarHBondContact O-N 3.25Å
1128L82.4Confident64.6Low44 Ų4492.3 Ų92.323%0.2351%0.51CS..PPolyproline II helixtrans-90.2161.2163-62-171.1000110.8M1095 N1096 A1176M1095-L1128 HydrophobicContact CB-CB 4.01Å; M1095-L1128 HydrophobicContact CB-CD1 3.85Å; M1095-L1128 HydrophobicContact CB-CG 4.3Å; M1095-L1128 HydrophobicContact CE-CB 4.41Å; M1095-L1128 HydrophobicContact CE-CG 4.12Å; M1095-L1128 HydrophobicContact CG-CB 3.89Å; M1095-L1128 HydrophobicContact CG-CD1 4.1Å; M1095-L1128 HydrophobicContact CG-CG 4.11Å; M1095-L1128 HydrophobicContact SD-CB 3.95Å; M1095-L1128 HydrophobicContact SD-CD1 3.53Å; M1095-L1128 VanDerWaalsContact SD-CD1 3.53Å; M1095-L1128 HydrophobicContact SD-CG 3.49Å; M1095-L1128 WeakPolarHBondContact SD-CG 3.35Å; N1096-L1128 PolarHBondContact ND2-O 2.71Å; L1128-A1176 WeakPolarHBondContact CA-O 3.25Å; L1128-A1176 HydrophobicContact CD2-CB 3.71Å; L1128-A1176 WeakPolarHBondContact CD2-O 3.25Å
1129H83.5Confident67.1Low10 Ų1086.6 Ų86.65%0.04648%0.481CS..PPolyproline II helixtrans-74.3156.4-179.4-74.4-108.4000114N1096 F1131 C1159 C1162 Q1175 A1177N1096-H1129 PolarHBondContact ND2-O 3.01Å; H1129-F1131 HydrophobicContact CB-CD2 3.54Å; H1129-F1131 HydrophobicContact CB-CE2 3.2Å; H1129-F1131 HydrophobicContact CB-CG 4.42Å; H1129-F1131 HydrophobicContact CB-CZ 3.82Å; H1129-F1131 AromaticContact CG-CE2 3.54Å; H1129-F1131 AromaticContact CG-CZ 3.77Å; H1129-F1131 AromaticContact ND1-CE2 3.82Å; H1129-F1131 AromaticContact ND1-CZ 3.52Å; H1129-C1159 HydrophobicContact CB-CB 4.22Å; H1129-C1159 WeakPolarHBondContact ND1-CB 3.25Å; H1129-C1159 PolarHBondContact ND1-SG 3.05Å; H1129-C1162 PolarHBondContact CE1-SG 2.8Å; H1129-C1162 PolarHBondContact ND1-SG 3.48Å; H1129-C1162 VanDerWaalsContact ND1-SG 3.44Å; H1129-Q1175 PolarHBondContact CD2-O 3.5Å; H1129-Q1175 PolarHBondContact NE2-O 2.95Å; H1129-A1177 PolarHBondContact NE2-O 2.98Å; H1129-A1177 VanDerWaalsContact NE2-O 3.11Å
1130R89.9Confident69.9Low50 Ų5081.6 Ų81.619%0.18946%0.455CS..  trans-107.470.9173-172141.240.5134.7-9.8112.9N1096 N1132 V1158 C1159 Q1160 D1161N1096-R1130 HydrophobicContact CB-CB 3.65Å; N1096-R1130 HydrophobicContact CB-CG 3.72Å; N1096-R1130 WeakPolarHBondContact ND2-CB 3.33Å; N1096-R1130 PolarHBondContact ND2-N 2.76Å; N1096-R1130 WeakPolarHBondContact O-CD 3.24Å; N1096-R1130 WeakPolarHBondContact OD1-CD 2.96Å; N1096-R1130 PolarHBondContact OD1-NE 3.11Å; R1130-N1132 PolarHBondContact O-N 3.01Å; R1130-V1158 VanDerWaalsContact O-O 3.07Å; R1130-C1159 PolarHBondContact N-SG 2.98Å; R1130-C1159 CarbonylContact O-C 3.57Å; R1130-C1159 VanDerWaalsContact O-CA 3.28Å; R1130-C1159 WeakPolarHBondContact O-CA 3.45Å; R1130-Q1160 HydrophobicContact CB-CB 3.91Å; R1130-Q1160 HydrophobicContact CB-CG 4.39Å; R1130-Q1160 VanDerWaalsContact CD-OE1 3.22Å; R1130-Q1160 HydrophobicContact CG-CB 3.82Å; R1130-Q1160 HydrophobicContact CG-CG 3.89Å; R1130-Q1160 PolarHBondContact O-N 2.85Å; R1130-D1161 IonicContact CZ-OD1 3.86Å; R1130-D1161 IonicContact NE-OD1 2.7Å; R1130-D1161 PolarHBondContact NE-OD1 2.92Å; R1130-D1161 VanDerWaalsContact NE-OD1 3.11Å; R1130-D1161 IonicContact NE-OD2 2.76Å; R1130-D1161 IonicContact NH2-OD1 2.68Å; R1130-D1161 PolarHBondContact NH2-OD1 2.78Å
1131F89Confident72.6Confident32 Ų3272.9 Ų72.914%0.1442%0.423CS..EExtended strand (participates in β ladder)trans-74.5110-177.1-72.9-66.5000113H1129 Y1157 V1158 C1159 Y1164 L1171 V1174H1129-F1131 HydrophobicContact CB-CD2 3.54Å; H1129-F1131 HydrophobicContact CB-CE2 3.2Å; H1129-F1131 HydrophobicContact CB-CG 4.42Å; H1129-F1131 HydrophobicContact CB-CZ 3.82Å; H1129-F1131 AromaticContact CG-CE2 3.54Å; H1129-F1131 AromaticContact CG-CZ 3.77Å; H1129-F1131 AromaticContact ND1-CE2 3.82Å; H1129-F1131 AromaticContact ND1-CZ 3.52Å; F1131-Y1157 HydrophobicContact CB-CD1 3.97Å; F1131-Y1157 HydrophobicContact CB-CG 4.35Å; F1131-V1158 WeakPolarHBondContact CA-O 3.27Å; F1131-C1159 HydrophobicContact CD1-CB 4.11Å; F1131-C1159 HydrophobicContact CE1-CB 3.82Å; F1131-C1159 HydrophobicContact CZ-CB 4.22Å; F1131-Y1164 HydrophobicContact CE1-CD1 4.23Å; F1131-Y1164 WeakPolarHBondContact CE1-O 3.39Å; F1131-Y1164 HydrophobicContact CZ-CD1 4.11Å; F1131-L1171 HydrophobicContact CB-CD1 3.99Å; F1131-L1171 HydrophobicContact CD1-CD1 4.1Å; F1131-L1171 HydrophobicContact CD2-CD1 3.25Å; F1131-L1171 HydrophobicContact CE1-CD1 4.42Å; F1131-L1171 HydrophobicContact CE2-CD1 3.62Å; F1131-L1171 HydrophobicContact CG-CD1 3.51Å; F1131-L1171 HydrophobicContact CZ-CD1 4.22Å; F1131-V1174 HydrophobicContact CE2-CG1 4.46Å; F1131-V1174 HydrophobicContact CZ-CB 4.39Å; F1131-V1174 HydrophobicContact CZ-CG1 4.03Å; F1131-V1174 HydrophobicContact CZ-CG2 4.36Å
1132N89Confident75.7Confident77 Ų7765.8 Ų65.841%0.41239%0.386SS..EExtended strand (participates in β ladder)trans-109.8148.8168.9-83.9-17.2000110.6R1130 Y1157 V1158 Q1160R1130-N1132 PolarHBondContact O-N 3.01Å; N1132-Y1157 CarbonylContact O-C 3.52Å; N1132-Y1157 VanDerWaalsContact O-CA 3.31Å; N1132-Y1157 WeakPolarHBondContact O-CA 3.48Å; N1132-V1158 PolarHBondContact N-O 3.46Å; N1132-V1158 PolarHBondContact O-N 3.49Å; N1132-Q1160 PolarHBondContact ND2-NE2 3.49Å; N1132-Q1160 VanDerWaalsContact ND2-NE2 3.12Å; N1132-Q1160 PolarHBondContact ND2-OE1 2.85Å
1133V86.6Confident78.5Confident57 Ų5763.1 Ų63.135%0.34536%0.358SS..EExtended strand (participates in β ladder)trans-68.2132.1174.3-1800000109.5R1154 G1156 Y1157V1133-R1154 HydrophobicContact CG1-CB 3.86Å; V1133-R1154 HydrophobicContact CG1-CG 4Å; V1133-G1156 CarbonylContact C-O 3.6Å; V1133-G1156 WeakPolarHBondContact CA-O 3.28Å; V1133-Y1157 HydrophobicContact CG2-CD1 4.01Å; V1133-Y1157 HydrophobicContact CG2-CE1 3.43Å; V1133-Y1157 VanDerWaalsContact CG2-CE1 3.43Å; V1133-Y1157 HydrophobicContact CG2-CE2 4.48Å
1134A87.8Confident80.9Confident19 Ų1961.2 Ų61.216%0.15733%0.331CS..EExtended strand (participates in β ladder)trans-124.6154.3-179.400000112.3F1136 R1154 Q1155 G1156 V1158A1134-F1136 HydrophobicContact CB-CD1 4.47Å; A1134-F1136 HydrophobicContact CB-CE1 4.01Å; A1134-F1136 HydrophobicContact CB-CE2 4.17Å; A1134-F1136 HydrophobicContact CB-CZ 3.85Å; A1134-R1154 CarbonylContact O-C 3.54Å; A1134-Q1155 PolarHBondContact O-N 3.33Å; A1134-Q1155 VanDerWaalsContact O-N 3.14Å; A1134-G1156 PolarHBondContact N-O 3.09Å; A1134-V1158 HydrophobicContact CB-CB 4.46Å; A1134-V1158 HydrophobicContact CB-CG1 3.82Å
1135I86.8Confident83.3Confident96 Ų9655.8 Ų55.849%0.49230%0.299SS..  trans-105123.3153-50.2178.9000104.3
1136F88.9Confident85.4Confident15 Ų1551.5 Ų51.57%0.06626%0.264CS..  trans-85.3131.7179.1-59.7-80.3000108.9A1134 Q1138 T1140 M1149 Q1155 V1158 C1165 P1246A1134-F1136 HydrophobicContact CB-CD1 4.47Å; A1134-F1136 HydrophobicContact CB-CE1 4.01Å; A1134-F1136 HydrophobicContact CB-CE2 4.17Å; A1134-F1136 HydrophobicContact CB-CZ 3.85Å; F1136-Q1138 WeakPolarHBondContact CB-O 3.32Å; F1136-Q1138 PolarHBondContact O-N 3.21Å; F1136-Q1138 VanDerWaalsContact O-N 3.1Å; F1136-T1140 VanDerWaalsContact CB-OG1 3.31Å; F1136-T1140 WeakPolarHBondContact CB-OG1 3.4Å; F1136-T1140 HydrophobicContact CD1-CG2 3.71Å; F1136-T1140 HydrophobicContact CD2-CG2 4.35Å; F1136-T1140 HydrophobicContact CE1-CG2 3.96Å; F1136-T1140 HydrophobicContact CG-CG2 3.93Å; F1136-T1140 HydrophobicContact CZ-CG2 4.39Å; F1136-M1149 HydrophobicContact CD2-CB 3.94Å; F1136-M1149 HydrophobicContact CD2-CE 4.49Å; F1136-M1149 HydrophobicContact CD2-CG 4.34Å; F1136-M1149 HydrophobicContact CE2-CB 4.06Å; F1136-M1149 HydrophobicContact CE2-CE 3.5Å; F1136-M1149 VanDerWaalsContact CE2-CE 3.5Å; F1136-M1149 HydrophobicContact CE2-CG 4.1Å; F1136-M1149 HydrophobicContact CZ-CE 3.99Å; F1136-Q1155 HydrophobicContact CD2-CB 3.93Å; F1136-Q1155 HydrophobicContact CE2-CB 4.25Å; F1136-V1158 HydrophobicContact CE1-CB 4.08Å; F1136-V1158 HydrophobicContact CZ-CB 4.27Å; F1136-C1165 HydrophobicContact CE1-CB 4.29Å; F1136-C1165 VanDerWaalsContact CE1-SG 3.5Å; F1136-C1165 HydrophobicContact CZ-CB 4.2Å; F1136-P1246 WeakPolarHBondContact O-CB 3.41Å
1137P84.3Confident87.2Confident108 Ų10846.2 Ų46.270%0.70124%0.24SC*.SBendtrans-75.15.2-177.933.3-37.8000113.4V1244P1137-V1244 VanDerWaalsContact O-O 3.11Å
1138Q85.3Confident88.2Confident114 Ų11439.4 Ų39.453%0.53321%0.211SC..SBendtrans-156.4156178.564.2-175.17.300108.7F1136 T1140 V1244F1136-Q1138 WeakPolarHBondContact CB-O 3.32Å; F1136-Q1138 PolarHBondContact O-N 3.21Å; F1136-Q1138 VanDerWaalsContact O-N 3.1Å; Q1138-T1140 PolarHBondContact O-N 2.93Å; Q1138-T1140 PolarHBondContact O-OG1 2.84Å; Q1138-V1244 HydrophobicContact CB-CB 4.42Å
1139P88.5Confident88.6Confident18 Ų1837.5 Ų37.512%0.11720%0.201CC..  trans-54.1102.3177.1-28.938000112.2L1148 Y1220 Y1231 V1244P1139-L1148 HydrophobicContact CB-CD2 3.96Å; P1139-Y1220 HydrophobicContact CB-CD1 4.28Å; P1139-Y1220 HydrophobicContact CB-CE1 4.37Å; P1139-Y1220 HydrophobicContact CG-CD1 4.09Å; P1139-Y1231 HydrophobicContact CB-CD2 4.14Å; P1139-Y1231 HydrophobicContact CB-CE1 4.23Å; P1139-Y1231 HydrophobicContact CB-CE2 3.72Å; P1139-Y1231 HydrophobicContact CG-CD1 3.62Å; P1139-Y1231 HydrophobicContact CG-CD2 3.52Å; P1139-Y1231 HydrophobicContact CG-CE1 3.66Å; P1139-Y1231 HydrophobicContact CG-CE2 3.57Å; P1139-Y1231 HydrophobicContact CG-CG 3.53Å; P1139-V1244 HydrophobicContact CG-CG1 3.62Å
1140T90.7Very high88.9Confident23 Ų2338.2 Ų38.214%0.14121%0.205CC..  trans-104.4152.9-174.9-64.40000110F1136 Q1138 M1149 C1165F1136-T1140 VanDerWaalsContact CB-OG1 3.31Å; F1136-T1140 WeakPolarHBondContact CB-OG1 3.4Å; F1136-T1140 HydrophobicContact CD1-CG2 3.71Å; F1136-T1140 HydrophobicContact CD2-CG2 4.35Å; F1136-T1140 HydrophobicContact CE1-CG2 3.96Å; F1136-T1140 HydrophobicContact CG-CG2 3.93Å; F1136-T1140 HydrophobicContact CZ-CG2 4.39Å; Q1138-T1140 PolarHBondContact O-N 2.93Å; Q1138-T1140 PolarHBondContact O-OG1 2.84Å; T1140-M1149 HydrophobicContact CG2-CG 4.28Å; T1140-M1149 VanDerWaalsContact O-CB 3.31Å; T1140-M1149 WeakPolarHBondContact O-CB 3.37Å; T1140-M1149 WeakPolarHBondContact O-CG 3.39Å; T1140-M1149 PolarHBondContact O-N 3.3Å; T1140-C1165 HydrophobicContact CG2-CB 4.12Å
1141K91.3Very high88.8Confident27 Ų2736 Ų3612%0.11720%0.197CC..BIsolated β-bridgetrans-111.8150.4-179.5-63171.3-175.8176.80111.1N1143 S1147 L1148 L1188 T1198 E1201K1141-N1143 PolarHBondContact O-N 2.92Å; K1141-S1147 WeakPolarHBondContact CA-O 3.27Å; K1141-L1148 HydrophobicContact CG-CD2 4.2Å; K1141-L1188 HydrophobicContact CD-CD2 3.53Å; K1141-T1198 HydrophobicContact CD-CG2 4.47Å; K1141-T1198 VanDerWaalsContact CE-OG1 3.29Å; K1141-T1198 WeakPolarHBondContact CE-OG1 3.19Å; K1141-T1198 VanDerWaalsContact NZ-CG2 3.31Å; K1141-E1201 WeakPolarHBondContact CE-OE2 3.4Å; K1141-E1201 IonicContact NZ-OE1 2.73Å; K1141-E1201 PolarHBondContact NZ-OE1 2.81Å; K1141-E1201 IonicContact NZ-OE2 3.97Å; K1141-E1201 PolarHBondContact NZ-OE2 2.83Å
1142C91.8Very high88.8Confident1 Ų135.2 Ų35.21%0.00719%0.194CC..  trans-73.8120.8169.5174.90000110.3H1144 C1145 T1146 S1147 M1149 C1165 C1166 H1167 C1170C1142-H1144 PolarHBondContact O-N 2.82Å; C1142-C1145 VanDerWaalsContact CB-SG 3.53Å; C1142-C1145 PolarHBondContact O-N 2.81Å; C1142-T1146 VanDerWaalsContact O-CA 3.24Å; C1142-T1146 WeakPolarHBondContact O-CA 3.23Å; C1142-T1146 PolarHBondContact O-N 3.2Å; C1142-S1147 PolarHBondContact N-O 2.8Å; C1142-M1149 HydrophobicContact CB-SD 3.84Å; C1142-C1165 CarbonylContact C-O 3.58Å; C1142-C1165 WeakPolarHBondContact CA-O 3.47Å; C1142-C1166 VanDerWaalsContact SG-CA 3.58Å; C1142-H1167 WeakPolarHBondContact CB-CE1 3.47Å; C1142-H1167 WeakPolarHBondContact CB-ND1 3.19Å; C1142-C1170 VanDerWaalsContact SG-CB 3.53Å; C1142-C1170 VanDerWaalsContact SG-SG 3.7Å
1143N89.7Confident88.7Confident43 Ų4332 Ų3223%0.2318%0.177CC..THydrogen-bonded Turntrans-63.5-12.1178.3-67.4101.4000113.8K1141 Y1164 C1165 I1185 R1186K1141-N1143 PolarHBondContact O-N 2.92Å; N1143-Y1164 HydrophobicContact CB-CD1 4.05Å; N1143-Y1164 HydrophobicContact CB-CD2 3.94Å; N1143-Y1164 HydrophobicContact CB-CE1 3.68Å; N1143-Y1164 HydrophobicContact CB-CE2 3.59Å; N1143-Y1164 HydrophobicContact CB-CG 4.17Å; N1143-Y1164 VanDerWaalsContact CB-CZ 3.45Å; N1143-Y1164 PolarHBondContact O-OH 3.03Å; N1143-C1165 PolarHBondContact N-O 3.16Å; N1143-C1165 PolarHBondContact OD1-N 3.27Å; N1143-C1165 PolarHBondContact OD1-O 3.46Å; N1143-I1185 HydrophobicContact CB-CG1 4.43Å; N1143-I1185 HydrophobicContact CB-CG2 4.17Å; N1143-I1185 WeakPolarHBondContact ND2-CG2 3.34Å; N1143-R1186 PolarHBondContact O-N 3.05Å
1144H87.3Confident88.7Confident58 Ų5831.2 Ų31.227%0.26917%0.168SC..THydrogen-bonded Turntrans-92.2-51.417717879000113.2C1142 Y1164 C1170 K1173C1142-H1144 PolarHBondContact O-N 2.82Å; H1144-Y1164 PolarHBondContact N-OH 3.39Å; H1144-C1170 HydrophobicContact CB-CB 4.18Å; H1144-K1173 WeakPolarHBondContact CE1-CB 3.28Å; H1144-K1173 PolarHBondContact ND1-O 2.84Å; H1144-K1173 WeakPolarHBondContact NE2-CB 3.36Å; H1144-K1173 WeakPolarHBondContact NE2-CD 3.34Å
1145C87Confident88.8Confident22 Ų2230.9 Ų30.915%0.14916%0.163CC..THydrogen-bonded Turntrans-105.3-5.1-175.368.10000115.2C1142 S1147 H1167 C1170 G1197C1142-C1145 VanDerWaalsContact CB-SG 3.53Å; C1142-C1145 PolarHBondContact O-N 2.81Å; C1145-S1147 PolarHBondContact O-N 2.91Å; C1145-S1147 VanDerWaalsContact O-N 3.09Å; C1145-H1167 PolarHBondContact SG-CE1 3.07Å; C1145-H1167 PolarHBondContact SG-ND1 3.48Å; C1145-H1167 VanDerWaalsContact SG-ND1 3.36Å; C1145-C1170 VanDerWaalsContact SG-SG 3.67Å; C1145-G1197 WeakPolarHBondContact O-CA 3.46Å
1146T90.1Very high88.9Confident2 Ų226.3 Ų26.31%0.01214%0.14CC..  trans62.9-5.9-173.687.50000116.4C1142 R1186 P1187 G1189 G1197 T1198C1142-T1146 VanDerWaalsContact O-CA 3.24Å; C1142-T1146 WeakPolarHBondContact O-CA 3.23Å; C1142-T1146 PolarHBondContact O-N 3.2Å; T1146-R1186 HydrophobicContact CG2-CB 3.92Å; T1146-R1186 HydrophobicContact CG2-CG 3.8Å; T1146-P1187 WeakPolarHBondContact CG2-O 3.4Å; T1146-G1189 PolarHBondContact OG1-O 3.31Å; T1146-G1197 WeakPolarHBondContact OG1-CA 3.48Å; T1146-T1198 WeakPolarHBondContact O-CB 3.42Å; T1146-T1198 PolarHBondContact O-N 2.91Å; T1146-T1198 VanDerWaalsContact O-N 3.16Å; T1146-T1198 PolarHBondContact O-OG1 3.43Å; T1146-T1198 PolarHBondContact OG1-N 3.48Å
1147S90.6Very high89Confident9 Ų928.2 Ų28.26%0.06315%0.147CC..  trans-68.7155.6175.5-53.70000112.6K1141 C1142 C1145 H1167 G1197 C1224 D1225K1141-S1147 WeakPolarHBondContact CA-O 3.27Å; C1142-S1147 PolarHBondContact N-O 2.8Å; C1145-S1147 PolarHBondContact O-N 2.91Å; C1145-S1147 VanDerWaalsContact O-N 3.09Å; S1147-H1167 PolarHBondContact O-CE1 3.48Å; S1147-G1197 WeakPolarHBondContact OG-CA 3.06Å; S1147-G1197 PolarHBondContact OG-N 3.14Å; S1147-G1197 VanDerWaalsContact OG-N 3.13Å; S1147-C1224 WeakPolarHBondContact CA-SG 3.37Å; S1147-D1225 WeakPolarHBondContact CB-OD1 3.44Å; S1147-D1225 VanDerWaalsContact CB-OD2 3.32Å; S1147-D1225 WeakPolarHBondContact CB-OD2 3.43Å; S1147-D1225 PolarHBondContact OG-OD1 3.03Å; S1147-D1225 PolarHBondContact OG-OD2 2.78Å
1148L91.6Very high89.4Confident2 Ų224.1 Ų24.11%0.0112%0.12CC..BIsolated β-bridgetrans-68.5143.7179.4-83.3173000113.3P1139 K1141 I1150 H1167 V1222 C1224 F1229 Y1231P1139-L1148 HydrophobicContact CB-CD2 3.96Å; K1141-L1148 HydrophobicContact CG-CD2 4.2Å; L1148-I1150 VanDerWaalsContact C-N 3.34Å; L1148-I1150 HydrophobicContact CB-CD1 4.14Å; L1148-I1150 HydrophobicContact CB-CG1 3.87Å; L1148-I1150 PolarHBondContact O-N 2.98Å; L1148-I1150 VanDerWaalsContact O-N 3.08Å; L1148-H1167 PolarHBondContact O-NE2 3.04Å; L1148-V1222 HydrophobicContact CD1-CB 3.77Å; L1148-V1222 HydrophobicContact CD1-CG1 3.67Å; L1148-V1222 HydrophobicContact CD1-CG2 4.23Å; L1148-V1222 HydrophobicContact CD2-CG1 4.22Å; L1148-V1222 HydrophobicContact CD2-CG2 4.48Å; L1148-V1222 HydrophobicContact CG-CG1 3.97Å; L1148-C1224 HydrophobicContact CB-CB 4.47Å; L1148-C1224 HydrophobicContact CD1-CB 3.88Å; L1148-C1224 HydrophobicContact CG-CB 4.06Å; L1148-C1224 PolarHBondContact N-SG 3.34Å; L1148-F1229 HydrophobicContact CD1-CB 4.07Å; L1148-F1229 HydrophobicContact CD1-CD1 4.43Å; L1148-F1229 HydrophobicContact CD1-CD2 3.85Å; L1148-F1229 HydrophobicContact CD1-CE2 4.39Å; L1148-F1229 HydrophobicContact CD1-CG 3.87Å; L1148-Y1231 HydrophobicContact CD1-CE2 4.18Å
1149M90.5Very high89.7Confident4 Ų418.7 Ų18.72%0.0210%0.095CC..  trans-82.575.7176.3-58.7-67.3-72.200109.6F1136 T1140 C1142 Q1155 C1166F1136-M1149 HydrophobicContact CD2-CB 3.94Å; F1136-M1149 HydrophobicContact CD2-CE 4.49Å; F1136-M1149 HydrophobicContact CD2-CG 4.34Å; F1136-M1149 HydrophobicContact CE2-CB 4.06Å; F1136-M1149 HydrophobicContact CE2-CE 3.5Å; F1136-M1149 VanDerWaalsContact CE2-CE 3.5Å; F1136-M1149 HydrophobicContact CE2-CG 4.1Å; F1136-M1149 HydrophobicContact CZ-CE 3.99Å; T1140-M1149 HydrophobicContact CG2-CG 4.28Å; T1140-M1149 VanDerWaalsContact O-CB 3.31Å; T1140-M1149 WeakPolarHBondContact O-CB 3.37Å; T1140-M1149 WeakPolarHBondContact O-CG 3.39Å; T1140-M1149 PolarHBondContact O-N 3.3Å; C1142-M1149 HydrophobicContact CB-SD 3.84Å; M1149-Q1155 HydrophobicContact CB-CB 4.19Å; M1149-Q1155 WeakPolarHBondContact CE-O 3.27Å; M1149-Q1155 WeakPolarHBondContact O-CB 3.29Å; M1149-Q1155 WeakPolarHBondContact O-CG 3.24Å; M1149-C1166 WeakPolarHBondContact CE-O 3.27Å
1150I89.3Confident89.8Confident26 Ų2622 Ų2213%0.13311%0.108CC..  trans-79.8141.7-171.3-63.4152.8000111.5L1148 F1229 M1589 P1591 W1622L1148-I1150 VanDerWaalsContact C-N 3.34Å; L1148-I1150 HydrophobicContact CB-CD1 4.14Å; L1148-I1150 HydrophobicContact CB-CG1 3.87Å; L1148-I1150 PolarHBondContact O-N 2.98Å; L1148-I1150 VanDerWaalsContact O-N 3.08Å; I1150-F1229 HydrophobicContact CD1-CE1 3.66Å; I1150-F1229 HydrophobicContact CD1-CE2 4.41Å; I1150-F1229 HydrophobicContact CD1-CZ 3.5Å; I1150-F1229 HydrophobicContact CG1-CE1 4.03Å; I1150-F1229 HydrophobicContact CG1-CZ 4.33Å; I1150-M1589 VanDerWaalsContact O-CB 3.28Å; I1150-M1589 WeakPolarHBondContact O-CB 3.32Å; I1150-P1591 HydrophobicContact CG2-CB 3.93Å; I1150-W1622 HydrophobicContact CD1-CZ3 4.28Å; I1150-W1622 HydrophobicContact CG2-CZ3 4.46Å
1151G89Confident89.6Confident2 Ų223.9 Ų23.92%0.02112%0.118CC..SBendtrans144.8152.4177.300000112.9T1153 Q1155 F1590G1151-T1153 VanDerWaalsContact C-N 3.29Å; G1151-Q1155 WeakPolarHBondContact O-CG 3.2Å; G1151-Q1155 PolarHBondContact O-NE2 3.21Å; G1151-F1590 CarbonylContact C-O 3.54Å; G1151-F1590 VanDerWaalsContact CA-O 3.25Å; G1151-F1590 WeakPolarHBondContact CA-O 3.23Å
1152L89Confident89.5Confident17 Ų1724.3 Ų24.39%0.08912%0.124CC..SBendtrans-81.1-12.2176.6-55.4178.3000113.4Q1247 K1571 F1590L1152-Q1247 HydrophobicContact CD2-CB 3.88Å; L1152-Q1247 HydrophobicContact CD2-CG 3.64Å; L1152-K1571 HydrophobicContact CB-CB 4.31Å; L1152-F1590 HydrophobicContact CD1-CB 4.4Å; L1152-F1590 PolarHBondContact N-O 2.89Å
1153T86.7Confident89.4Confident8 Ų830 Ų305%0.04915%0.151CC..SBendtrans-159.9166.8179.3-177.90000107.4G1151 Q1155 Y1552 K1571 L1572 M1589G1151-T1153 VanDerWaalsContact C-N 3.29Å; T1153-Q1155 PolarHBondContact O-N 2.91Å; T1153-Y1552 HydrophobicContact CG2-CE2 4.09Å; T1153-Y1552 PolarHBondContact OG1-OH 3.16Å; T1153-K1571 HydrophobicContact CG2-CB 3.87Å; T1153-L1572 HydrophobicContact CG2-CD2 3.55Å; T1153-M1589 WeakPolarHBondContact O-CE 3.44Å
1154R87.3Confident89.4Confident42 Ų4228.4 Ų28.416%0.15814%0.141CC..  trans47.330.5172.2-58.2175.759.978.8-0.3116.3V1133 A1134 G1156 F1546 E1587 M1589V1133-R1154 HydrophobicContact CG1-CB 3.86Å; V1133-R1154 HydrophobicContact CG1-CG 4Å; A1134-R1154 CarbonylContact O-C 3.54Å; R1154-G1156 PolarHBondContact O-N 2.64Å; R1154-F1546 VanDerWaalsContact CD-CE2 3.4Å; R1154-F1546 VanDerWaalsContact CD-CZ 3.45Å; R1154-F1546 VanDerWaalsContact CZ-CE1 3.47Å; R1154-F1546 VanDerWaalsContact NH1-CD1 3.34Å; R1154-E1587 WeakPolarHBondContact CD-OE2 3.4Å; R1154-E1587 IonicContact CZ-OE1 2.66Å; R1154-E1587 IonicContact NE-OE1 3.94Å; R1154-E1587 PolarHBondContact NE-OE1 3Å; R1154-E1587 VanDerWaalsContact NE-OE1 3.12Å; R1154-E1587 IonicContact NE-OE2 3.73Å; R1154-E1587 PolarHBondContact NE-OE2 3.32Å; R1154-E1587 IonicContact NH2-OE1 3.29Å; R1154-E1587 PolarHBondContact NH2-OE1 3.23Å; R1154-E1587 VanDerWaalsContact NH2-OE1 3.12Å; R1154-M1589 HydrophobicContact CB-CE 4.16Å; R1154-M1589 WeakPolarHBondContact O-CE 3.3Å
1155Q88.1Confident89.6Confident12 Ų1226.2 Ų26.26%0.05613%0.133CC..  trans-52.1-26.8-171.5-72.1169.1-21.800114.5A1134 F1136 M1149 G1151 T1153 P1246A1134-Q1155 PolarHBondContact O-N 3.33Å; A1134-Q1155 VanDerWaalsContact O-N 3.14Å; F1136-Q1155 HydrophobicContact CD2-CB 3.93Å; F1136-Q1155 HydrophobicContact CE2-CB 4.25Å; M1149-Q1155 HydrophobicContact CB-CB 4.19Å; M1149-Q1155 WeakPolarHBondContact CE-O 3.27Å; M1149-Q1155 WeakPolarHBondContact O-CB 3.29Å; M1149-Q1155 WeakPolarHBondContact O-CG 3.24Å; G1151-Q1155 WeakPolarHBondContact O-CG 3.2Å; G1151-Q1155 PolarHBondContact O-NE2 3.21Å; T1153-Q1155 PolarHBondContact O-N 2.91Å; Q1155-P1246 PolarHBondContact NE2-O 3.18Å
1156G89Confident89.8Confident0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans164.2-145.316300000111.6V1133 A1134 R1154V1133-G1156 CarbonylContact C-O 3.6Å; V1133-G1156 WeakPolarHBondContact CA-O 3.28Å; A1134-G1156 PolarHBondContact N-O 3.09Å; R1154-G1156 PolarHBondContact O-N 2.64Å
1157Y91Very high89.7Confident55 Ų5526.5 Ų26.522%0.21613%0.131CC..EExtended strand (participates in β ladder)trans-109.9146.4-173-69.3-89.2000113.3F1131 N1132 V1133 C1165 C1166 V1168 L1171F1131-Y1157 HydrophobicContact CB-CD1 3.97Å; F1131-Y1157 HydrophobicContact CB-CG 4.35Å; N1132-Y1157 CarbonylContact O-C 3.52Å; N1132-Y1157 VanDerWaalsContact O-CA 3.31Å; N1132-Y1157 WeakPolarHBondContact O-CA 3.48Å; V1133-Y1157 HydrophobicContact CG2-CD1 4.01Å; V1133-Y1157 HydrophobicContact CG2-CE1 3.43Å; V1133-Y1157 VanDerWaalsContact CG2-CE1 3.43Å; V1133-Y1157 HydrophobicContact CG2-CE2 4.48Å; Y1157-C1165 CarbonylContact O-C 3.54Å; Y1157-C1165 WeakPolarHBondContact O-CA 3.18Å; Y1157-C1166 PolarHBondContact N-O 2.73Å; Y1157-C1166 PolarHBondContact O-N 3.44Å; Y1157-V1168 HydrophobicContact CD2-CG2 4.37Å; Y1157-V1168 HydrophobicContact CE2-CB 4.29Å; Y1157-V1168 HydrophobicContact CE2-CG1 4.21Å; Y1157-V1168 HydrophobicContact CE2-CG2 3.95Å; Y1157-L1171 HydrophobicContact CD1-CD2 4.39Å; Y1157-L1171 HydrophobicContact CD2-CD2 3.87Å; Y1157-L1171 HydrophobicContact CE1-CD2 4.38Å; Y1157-L1171 HydrophobicContact CE2-CD2 3.87Å; Y1157-L1171 HydrophobicContact CG-CD2 4.14Å
1158V92.8Very high89.5Confident22 Ų2227.9 Ų27.913%0.13314%0.139CC..EExtended strand (participates in β ladder)trans-127.8137.5168.364.50000110.8R1130 F1131 N1132 A1134 F1136 Q1160 Y1164R1130-V1158 VanDerWaalsContact O-O 3.07Å; F1131-V1158 WeakPolarHBondContact CA-O 3.27Å; N1132-V1158 PolarHBondContact N-O 3.46Å; N1132-V1158 PolarHBondContact O-N 3.49Å; A1134-V1158 HydrophobicContact CB-CB 4.46Å; A1134-V1158 HydrophobicContact CB-CG1 3.82Å; F1136-V1158 HydrophobicContact CE1-CB 4.08Å; F1136-V1158 HydrophobicContact CZ-CB 4.27Å; V1158-Q1160 PolarHBondContact O-N 2.82Å; V1158-Y1164 CarbonylContact C-O 3.58Å; V1158-Y1164 WeakPolarHBondContact CA-O 3.48Å
1159C93Very high89.3Confident0 Ų032.4 Ų32.40%016%0.162CC..EExtended strand (participates in β ladder)trans-77.9114.4173178.20000110.9H1129 R1130 F1131 D1161 C1162 Q1163 Y1164H1129-C1159 HydrophobicContact CB-CB 4.22Å; H1129-C1159 WeakPolarHBondContact ND1-CB 3.25Å; H1129-C1159 PolarHBondContact ND1-SG 3.05Å; R1130-C1159 PolarHBondContact N-SG 2.98Å; R1130-C1159 CarbonylContact O-C 3.57Å; R1130-C1159 VanDerWaalsContact O-CA 3.28Å; R1130-C1159 WeakPolarHBondContact O-CA 3.45Å; F1131-C1159 HydrophobicContact CD1-CB 4.11Å; F1131-C1159 HydrophobicContact CE1-CB 3.82Å; F1131-C1159 HydrophobicContact CZ-CB 4.22Å; C1159-D1161 PolarHBondContact O-N 3.44Å; C1159-D1161 VanDerWaalsContact O-N 3.13Å; C1159-C1162 PolarHBondContact O-N 3.01Å; C1159-C1162 PolarHBondContact SG-SG 2.7Å; C1159-Q1163 WeakPolarHBondContact O-CA 3.25Å; C1159-Q1163 PolarHBondContact O-N 3.49Å; C1159-Y1164 PolarHBondContact N-O 2.68Å
1160Q89.6Confident89.2Confident86 Ų8632.5 Ų32.540%0.40216%0.164SC..THydrogen-bonded Turntrans-61.6-23.6180-61.2-168.6-50.900114.2R1130 N1132 V1158 Q1163R1130-Q1160 HydrophobicContact CB-CB 3.91Å; R1130-Q1160 HydrophobicContact CB-CG 4.39Å; R1130-Q1160 VanDerWaalsContact CD-OE1 3.22Å; R1130-Q1160 HydrophobicContact CG-CB 3.82Å; R1130-Q1160 HydrophobicContact CG-CG 3.89Å; R1130-Q1160 PolarHBondContact O-N 2.85Å; N1132-Q1160 PolarHBondContact ND2-NE2 3.49Å; N1132-Q1160 VanDerWaalsContact ND2-NE2 3.12Å; N1132-Q1160 PolarHBondContact ND2-OE1 2.85Å; V1158-Q1160 PolarHBondContact O-N 2.82Å; Q1160-Q1163 PolarHBondContact O-NE2 2.82Å; Q1160-Q1163 VanDerWaalsContact O-NE2 3.1Å
1161D87Confident89.1Confident63 Ų6332.5 Ų32.534%0.33716%0.164SC..THydrogen-bonded Turntrans-92.1-25.5-173.6-52.8-34.9000114N1096 R1130 C1159N1096-D1161 PolarHBondContact ND2-OD2 2.69Å; N1096-D1161 PolarHBondContact OD1-OD2 2.78Å; R1130-D1161 IonicContact CZ-OD1 3.86Å; R1130-D1161 IonicContact NE-OD1 2.7Å; R1130-D1161 PolarHBondContact NE-OD1 2.92Å; R1130-D1161 VanDerWaalsContact NE-OD1 3.11Å; R1130-D1161 IonicContact NE-OD2 2.76Å; R1130-D1161 IonicContact NH2-OD1 2.68Å; R1130-D1161 PolarHBondContact NH2-OD1 2.78Å; C1159-D1161 PolarHBondContact O-N 3.44Å; C1159-D1161 VanDerWaalsContact O-N 3.13Å
1162C88.2Confident88.9Confident37 Ų3736.3 Ų36.325%0.2519%0.188CC..THydrogen-bonded Turntrans-139.66.8-178.872.10000115H1129 C1159 Y1164 C1178 P1179H1129-C1162 PolarHBondContact CE1-SG 2.8Å; H1129-C1162 PolarHBondContact ND1-SG 3.48Å; H1129-C1162 VanDerWaalsContact ND1-SG 3.44Å; C1159-C1162 PolarHBondContact O-N 3.01Å; C1159-C1162 PolarHBondContact SG-SG 2.7Å; C1162-Y1164 PolarHBondContact O-N 3.2Å; C1162-Y1164 VanDerWaalsContact O-N 3.09Å; C1162-C1178 PolarHBondContact SG-SG 2.82Å; C1162-P1179 HydrophobicContact CB-CB 3.9Å
1163Q89.7Confident88.7Confident121 Ų12140.4 Ų40.457%0.56521%0.205SC*.  trans59.616175.8-51.8-57.8-44.300116.2C1159 Q1160 C1165C1159-Q1163 WeakPolarHBondContact O-CA 3.25Å; C1159-Q1163 PolarHBondContact O-N 3.49Å; Q1160-Q1163 PolarHBondContact O-NE2 2.82Å; Q1160-Q1163 VanDerWaalsContact O-NE2 3.1Å; Q1163-C1165 PolarHBondContact O-N 2.6Å; Q1163-C1165 PolarHBondContact O-SG 3.45Å; Q1163-C1165 VanDerWaalsContact O-SG 3.37Å
1164Y90.4Very high88.6Confident8 Ų840.8 Ų40.83%0.03121%0.207CC..  trans-60.4125.9169.6-164-77.7000110.3F1131 N1143 H1144 V1158 C1159 C1162 C1166 V1174 A1180 T1184 I1185F1131-Y1164 HydrophobicContact CE1-CD1 4.23Å; F1131-Y1164 WeakPolarHBondContact CE1-O 3.39Å; F1131-Y1164 HydrophobicContact CZ-CD1 4.11Å; N1143-Y1164 HydrophobicContact CB-CD1 4.05Å; N1143-Y1164 HydrophobicContact CB-CD2 3.94Å; N1143-Y1164 HydrophobicContact CB-CE1 3.68Å; N1143-Y1164 HydrophobicContact CB-CE2 3.59Å; N1143-Y1164 HydrophobicContact CB-CG 4.17Å; N1143-Y1164 VanDerWaalsContact CB-CZ 3.45Å; N1143-Y1164 PolarHBondContact O-OH 3.03Å; H1144-Y1164 PolarHBondContact N-OH 3.39Å; V1158-Y1164 CarbonylContact C-O 3.58Å; V1158-Y1164 WeakPolarHBondContact CA-O 3.48Å; C1159-Y1164 PolarHBondContact N-O 2.68Å; C1162-Y1164 PolarHBondContact O-N 3.2Å; C1162-Y1164 VanDerWaalsContact O-N 3.09Å; Y1164-C1166 HydrophobicContact CD1-CB 4.48Å; Y1164-C1166 HydrophobicContact CE1-CB 4.21Å; Y1164-V1174 HydrophobicContact CD1-CG1 3.78Å; Y1164-V1174 HydrophobicContact CD1-CG2 4.2Å; Y1164-V1174 HydrophobicContact CE1-CB 4.12Å; Y1164-V1174 HydrophobicContact CE1-CG1 3.42Å; Y1164-V1174 VanDerWaalsContact CE1-CG1 3.42Å; Y1164-V1174 HydrophobicContact CE1-CG2 3.52Å; Y1164-V1174 HydrophobicContact CE2-CG1 4.26Å; Y1164-V1174 HydrophobicContact CG-CG1 4.35Å; Y1164-A1180 HydrophobicContact CD2-CB 3.61Å; Y1164-A1180 HydrophobicContact CE2-CB 3.96Å; Y1164-T1184 PolarHBondContact OH-O 2.74Å; Y1164-I1185 HydrophobicContact CD2-CG1 4.21Å; Y1164-I1185 HydrophobicContact CE2-CG1 3.93Å
1165C91.6Very high88.3Confident13 Ų1343.9 Ų43.99%0.08822%0.224CC..EExtended strand (participates in β ladder)trans-109.7136.4-178-65.10000111.2F1136 T1140 C1142 N1143 Y1157 Q1163F1136-C1165 HydrophobicContact CE1-CB 4.29Å; F1136-C1165 VanDerWaalsContact CE1-SG 3.5Å; F1136-C1165 HydrophobicContact CZ-CB 4.2Å; T1140-C1165 HydrophobicContact CG2-CB 4.12Å; C1142-C1165 CarbonylContact C-O 3.58Å; C1142-C1165 WeakPolarHBondContact CA-O 3.47Å; N1143-C1165 PolarHBondContact N-O 3.16Å; N1143-C1165 PolarHBondContact OD1-N 3.27Å; N1143-C1165 PolarHBondContact OD1-O 3.46Å; Y1157-C1165 CarbonylContact O-C 3.54Å; Y1157-C1165 WeakPolarHBondContact O-CA 3.18Å; Q1163-C1165 PolarHBondContact O-N 2.6Å; Q1163-C1165 PolarHBondContact O-SG 3.45Å; Q1163-C1165 VanDerWaalsContact O-SG 3.37Å
1166C91.1Very high87.9Confident0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-156.2145.917862.10000114.6C1142 M1149 Y1157 Y1164 C1170 V1174C1142-C1166 VanDerWaalsContact SG-CA 3.58Å; M1149-C1166 WeakPolarHBondContact CE-O 3.27Å; Y1157-C1166 PolarHBondContact N-O 2.73Å; Y1157-C1166 PolarHBondContact O-N 3.44Å; Y1164-C1166 HydrophobicContact CD1-CB 4.48Å; Y1164-C1166 HydrophobicContact CE1-CB 4.21Å; C1166-C1170 HydrophobicContact CB-CB 4.1Å; C1166-V1174 HydrophobicContact CB-CG2 3.99Å
1167H88.9Confident87.4Confident29 Ų2946.6 Ų46.613%0.13425%0.248CC..  trans-57.8158.2171.2-56.899.3000111.8C1142 C1145 S1147 L1148 I1169 C1170 L1171C1142-H1167 WeakPolarHBondContact CB-CE1 3.47Å; C1142-H1167 WeakPolarHBondContact CB-ND1 3.19Å; C1145-H1167 PolarHBondContact SG-CE1 3.07Å; C1145-H1167 PolarHBondContact SG-ND1 3.48Å; C1145-H1167 VanDerWaalsContact SG-ND1 3.36Å; S1147-H1167 PolarHBondContact O-CE1 3.48Å; L1148-H1167 PolarHBondContact O-NE2 3.04Å; H1167-I1169 HydrophobicContact CB-CG1 3.82Å; H1167-I1169 PolarHBondContact O-N 3Å; H1167-C1170 HydrophobicContact CB-CB 4.21Å; H1167-C1170 CarbonylContact O-C 3.56Å; H1167-C1170 WeakPolarHBondContact O-CA 3.49Å; H1167-C1170 PolarHBondContact O-N 2.9Å; H1167-L1171 PolarHBondContact O-N 2.81Å
1168V85.9Confident87Confident38 Ų3844.3 Ų44.323%0.2324%0.24CC..THydrogen-bonded Turntrans-50.6-42.1170-169.30000111.9Y1157 C1170 P1172 P1585Y1157-V1168 HydrophobicContact CD2-CG2 4.37Å; Y1157-V1168 HydrophobicContact CE2-CB 4.29Å; Y1157-V1168 HydrophobicContact CE2-CG1 4.21Å; Y1157-V1168 HydrophobicContact CE2-CG2 3.95Å; V1168-C1170 VanDerWaalsContact C-N 3.29Å; V1168-C1170 PolarHBondContact O-N 3.2Å; V1168-P1172 WeakPolarHBondContact O-CD 3.39Å; V1168-P1585 HydrophobicContact CG1-CB 4.19Å
1169I86.6Confident86.4Confident97 Ų9747.7 Ų47.750%0.49726%0.263SS..THydrogen-bonded Turntrans-77.1-8.7178.660.6167.2000114.7H1167 L1586H1167-I1169 HydrophobicContact CB-CG1 3.82Å; H1167-I1169 PolarHBondContact O-N 3Å; I1169-L1586 HydrophobicContact CG2-CB 4.48Å; I1169-L1586 HydrophobicContact CG2-CD1 4.26Å; I1169-L1586 HydrophobicContact CG2-CD2 4.39Å
1170C88.3Confident85.7Confident7 Ų748.4 Ų48.45%0.04727%0.269CS..THydrogen-bonded Turntrans-106.1-22.5178-67.40000112.6C1142 H1144 C1145 C1166 H1167 V1168 P1172 K1173 V1174C1142-C1170 VanDerWaalsContact SG-CB 3.53Å; C1142-C1170 VanDerWaalsContact SG-SG 3.7Å; H1144-C1170 HydrophobicContact CB-CB 4.18Å; C1145-C1170 VanDerWaalsContact SG-SG 3.67Å; C1166-C1170 HydrophobicContact CB-CB 4.1Å; H1167-C1170 HydrophobicContact CB-CB 4.21Å; H1167-C1170 CarbonylContact O-C 3.56Å; H1167-C1170 WeakPolarHBondContact O-CA 3.49Å; H1167-C1170 PolarHBondContact O-N 2.9Å; V1168-C1170 VanDerWaalsContact C-N 3.29Å; V1168-C1170 PolarHBondContact O-N 3.2Å; C1170-P1172 VanDerWaalsContact C-CD 3.46Å; C1170-P1172 VanDerWaalsContact C-N 3.32Å; C1170-K1173 WeakPolarHBondContact O-CA 3.21Å; C1170-K1173 WeakPolarHBondContact O-CB 3.44Å; C1170-K1173 PolarHBondContact O-N 3.26Å; C1170-V1174 PolarHBondContact O-N 3.08Å
1171L87.9Confident84.9Confident26 Ų2646.2 Ų46.214%0.13626%0.262CS..G310 helixtrans-49-42.6174.9177.563000113.6M1089 F1131 Y1157 H1167 K1173 V1174M1089-L1171 HydrophobicContact CE-CG 4.25Å; F1131-L1171 HydrophobicContact CB-CD1 3.99Å; F1131-L1171 HydrophobicContact CD1-CD1 4.1Å; F1131-L1171 HydrophobicContact CD2-CD1 3.25Å; F1131-L1171 HydrophobicContact CE1-CD1 4.42Å; F1131-L1171 HydrophobicContact CE2-CD1 3.62Å; F1131-L1171 HydrophobicContact CG-CD1 3.51Å; F1131-L1171 HydrophobicContact CZ-CD1 4.22Å; Y1157-L1171 HydrophobicContact CD1-CD2 4.39Å; Y1157-L1171 HydrophobicContact CD2-CD2 3.87Å; Y1157-L1171 HydrophobicContact CE1-CD2 4.38Å; Y1157-L1171 HydrophobicContact CE2-CD2 3.87Å; Y1157-L1171 HydrophobicContact CG-CD2 4.14Å; H1167-L1171 PolarHBondContact O-N 2.81Å; L1171-K1173 PolarHBondContact O-N 2.77Å; L1171-K1173 VanDerWaalsContact O-N 3.08Å; L1171-V1174 PolarHBondContact O-N 3.15Å
1172P85Confident84.3Confident81 Ų8148.7 Ų48.753%0.52628%0.281SS..G310 helixtrans-67.3-5.2175.6-20.233.6000115.6M1089 V1168 C1170M1089-P1172 HydrophobicContact CE-CB 4.43Å; M1089-P1172 HydrophobicContact SD-CB 3.94Å; M1089-P1172 HydrophobicContact SD-CG 3.87Å; V1168-P1172 WeakPolarHBondContact O-CD 3.39Å; C1170-P1172 VanDerWaalsContact C-CD 3.46Å; C1170-P1172 VanDerWaalsContact C-N 3.32Å
1173K85.6Confident83.3Confident103 Ų10355.8 Ų55.845%0.44831%0.311SS..G310 helixtrans-118.60.7-173.9-51.1-178.7-178.7-177.40113H1144 C1170 L1171H1144-K1173 WeakPolarHBondContact CE1-CB 3.28Å; H1144-K1173 PolarHBondContact ND1-O 2.84Å; H1144-K1173 WeakPolarHBondContact NE2-CB 3.36Å; H1144-K1173 WeakPolarHBondContact NE2-CD 3.34Å; C1170-K1173 WeakPolarHBondContact O-CA 3.21Å; C1170-K1173 WeakPolarHBondContact O-CB 3.44Å; C1170-K1173 PolarHBondContact O-N 3.26Å; L1171-K1173 PolarHBondContact O-N 2.77Å; L1171-K1173 VanDerWaalsContact O-N 3.08Å
1174V83.4Confident82.2Confident16 Ų1651.3 Ų51.310%0.09729%0.292CS..SBendtrans-76.9140.6173-172.40000109F1131 Y1164 C1166 C1170 L1171F1131-V1174 HydrophobicContact CE2-CG1 4.46Å; F1131-V1174 HydrophobicContact CZ-CB 4.39Å; F1131-V1174 HydrophobicContact CZ-CG1 4.03Å; F1131-V1174 HydrophobicContact CZ-CG2 4.36Å; Y1164-V1174 HydrophobicContact CD1-CG1 3.78Å; Y1164-V1174 HydrophobicContact CD1-CG2 4.2Å; Y1164-V1174 HydrophobicContact CE1-CB 4.12Å; Y1164-V1174 HydrophobicContact CE1-CG1 3.42Å; Y1164-V1174 VanDerWaalsContact CE1-CG1 3.42Å; Y1164-V1174 HydrophobicContact CE1-CG2 3.52Å; Y1164-V1174 HydrophobicContact CE2-CG1 4.26Å; Y1164-V1174 HydrophobicContact CG-CG1 4.35Å; C1166-V1174 HydrophobicContact CB-CG2 3.99Å; C1170-V1174 PolarHBondContact O-N 3.08Å; L1171-V1174 PolarHBondContact O-N 3.15Å
1175Q80.7Confident81.3Confident107 Ų10754.3 Ų54.350%0.531%0.307SS..  trans-63.4143.1174.1-69-161.45.100110.9H1129 A1177 T1184H1129-Q1175 PolarHBondContact CD2-O 3.5Å; H1129-Q1175 PolarHBondContact NE2-O 2.95Å; Q1175-A1177 VanDerWaalsContact C-N 3.25Å; Q1175-A1177 PolarHBondContact O-N 2.75Å; Q1175-T1184 VanDerWaalsContact CD-CG2 3.4Å; Q1175-T1184 HydrophobicContact CG-CG2 4.13Å
1176A79.8Confident80.4Confident46 Ų4658.9 Ų58.938%0.3832%0.323SS..SBendtrans-66.3-27.2-17600000113.3F1092 L1128F1092-A1176 HydrophobicContact CZ-CB 4.1Å; L1128-A1176 WeakPolarHBondContact CA-O 3.25Å; L1128-A1176 HydrophobicContact CD2-CB 3.71Å; L1128-A1176 WeakPolarHBondContact CD2-O 3.25Å
1177A79.4Confident79.3Confident23 Ų2363.9 Ų63.919%0.1936%0.356CS..  trans-76.9124.3-172.500000113.7H1126 H1129 Q1175 P1179 A1180H1126-A1177 HydrophobicContact CB-CB 3.67Å; H1129-A1177 PolarHBondContact NE2-O 2.98Å; H1129-A1177 VanDerWaalsContact NE2-O 3.11Å; Q1175-A1177 VanDerWaalsContact C-N 3.25Å; Q1175-A1177 PolarHBondContact O-N 2.75Å; A1177-P1179 CarbonylContact O-C 3.52Å; A1177-A1180 WeakPolarHBondContact O-CA 3.49Å; A1177-A1180 PolarHBondContact O-N 2.84Å
1178C82.8Confident78.3Confident7 Ų767.6 Ų67.65%0.04738%0.376CS..BIsolated β-bridgetrans-115.4132.7177.6-177.30000111.2K1127 C1162K1127-C1178 HydrophobicContact CB-CB 4.31Å; K1127-C1178 PolarHBondContact N-O 3.1Å; K1127-C1178 WeakPolarHBondContact O-CB 3.36Å; K1127-C1178 PolarHBondContact O-N 3.25Å; C1162-C1178 PolarHBondContact SG-SG 2.82Å
1179P80.8Confident77.5Confident94 Ų9467 Ų6761%0.6138%0.377SS*.SBendcis-63.8147.5-6.830-36000111.5C1162 A1177C1162-P1179 HydrophobicContact CB-CB 3.9Å; A1177-P1179 CarbonylContact O-C 3.52Å
1180A76.8Confident76.8Confident15 Ų1563.7 Ų63.712%0.12436%0.36CS..PPolyproline II helixtrans-62.8130.6177.600000109.6Y1164 A1177Y1164-A1180 HydrophobicContact CD2-CB 3.61Å; Y1164-A1180 HydrophobicContact CE2-CB 3.96Å; A1177-A1180 WeakPolarHBondContact O-CA 3.49Å; A1177-A1180 PolarHBondContact O-N 2.84Å
1181P74.1Confident75.9Confident40 Ų4064.4 Ų64.426%0.2636%0.364SS..PPolyproline II helixtrans-57.9142.9176.8-21.129.8000110.7E1183 T1184P1181-E1183 PolarHBondContact O-N 3.07Å; P1181-E1183 VanDerWaalsContact O-N 3.09Å; P1181-T1184 HydrophobicContact CB-CG2 4.04Å; P1181-T1184 HydrophobicContact CG-CG2 4.06Å; P1181-T1184 WeakPolarHBondContact O-CB 3.46Å; P1181-T1184 PolarHBondContact O-N 2.81Å; P1181-T1184 PolarHBondContact O-OG1 2.78Å
1182P72.7Confident74.8Confident114 Ų11467.1 Ų67.174%0.7438%0.383SS*.G310 helixtrans-53.5-36.2-175.8-28.735.9000113.9T1184 I1185P1182-T1184 PolarHBondContact O-N 2.91Å; P1182-T1184 VanDerWaalsContact O-N 3.14Å; P1182-I1185 PolarHBondContact O-N 2.75Å
1183E67.4Low73.7Confident186 Ų18667.6 Ų67.687%0.86939%0.388SS*.G310 helixtrans-58.9-20.3176-63.1164.7-152.100114.4P1181P1181-E1183 PolarHBondContact O-N 3.07Å; P1181-E1183 VanDerWaalsContact O-N 3.09Å
1184T67.3Low72.9Confident28 Ų2870.1 Ų70.117%0.17240%0.395CS..G310 helixtrans-91.7-8-177.770.10000113.8Y1164 Q1175 P1181 P1182Y1164-T1184 PolarHBondContact OH-O 2.74Å; Q1175-T1184 VanDerWaalsContact CD-CG2 3.4Å; Q1175-T1184 HydrophobicContact CG-CG2 4.13Å; P1181-T1184 HydrophobicContact CB-CG2 4.04Å; P1181-T1184 HydrophobicContact CG-CG2 4.06Å; P1181-T1184 WeakPolarHBondContact O-CB 3.46Å; P1181-T1184 PolarHBondContact O-N 2.81Å; P1181-T1184 PolarHBondContact O-OG1 2.78Å; P1182-T1184 PolarHBondContact O-N 2.91Å; P1182-T1184 VanDerWaalsContact O-N 3.14Å
1185I72.4Confident72.3Confident70 Ų7069.4 Ų69.436%0.35939%0.39SS..SBendtrans-87.7108.3170.2-62.1171.7000106.2N1143 Y1164 P1182N1143-I1185 HydrophobicContact CB-CG1 4.43Å; N1143-I1185 HydrophobicContact CB-CG2 4.17Å; N1143-I1185 WeakPolarHBondContact ND2-CG2 3.34Å; Y1164-I1185 HydrophobicContact CD2-CG1 4.21Å; Y1164-I1185 HydrophobicContact CE2-CG1 3.93Å; P1182-I1185 PolarHBondContact O-N 2.75Å
1186R71.2Confident72.2Confident109 Ų10967 Ų6741%0.41138%0.381SS..PPolyproline II helixtrans-62.2125.4-179.3-172.6-176.9-114.1-158.2-2.5108.5N1143 T1146 D1191N1143-R1186 PolarHBondContact O-N 3.05Å; T1146-R1186 HydrophobicContact CG2-CB 3.92Å; T1146-R1186 HydrophobicContact CG2-CG 3.8Å; R1186-D1191 IonicContact CZ-OD2 3.15Å; R1186-D1191 IonicContact NH1-OD2 2.67Å; R1186-D1191 PolarHBondContact NH1-OD2 3.42Å; R1186-D1191 IonicContact NH2-OD2 2.67Å; R1186-D1191 PolarHBondContact NH2-OD2 2.68Å
1187P68.6Low72.5Confident106 Ų10664.9 Ų64.969%0.68836%0.363SS*.PPolyproline II helixtrans-62.6153.9176.726.9-34.9000110.6T1146T1146-P1187 WeakPolarHBondContact CG2-O 3.4Å
1188L68.6Low72.9Confident106 Ų10663.8 Ų63.856%0.55535%0.354SS*.SBendtrans-57.4139.7-179.6-63.5-178.1000111.5K1141K1141-L1188 HydrophobicContact CD-CD2 3.53Å
1189G67.7Low73Confident25 Ų2565.1 Ų65.126%0.25837%0.365SS..SBendtrans152.5156.9-174.100000111.6T1146 T1198T1146-G1189 PolarHBondContact OG1-O 3.31Å; G1189-T1198 CarbonylContact C-O 3.58Å; G1189-T1198 VanDerWaalsContact C-O 3.26Å; G1189-T1198 VanDerWaalsContact CA-O 3.28Å; G1189-T1198 WeakPolarHBondContact CA-O 3.29Å; G1189-T1198 PolarHBondContact N-O 3.07Å
1190I72.7Confident73.3Confident29 Ų2962.8 Ų62.815%0.14935%0.345CS..  trans-86.4138.7170.2-83.1177.9000110P1192 L1196 G1197 A1199 L1226 L1322I1190-P1192 WeakPolarHBondContact O-CD 3.16Å; I1190-L1196 CarbonylContact C-O 3.48Å; I1190-L1196 WeakPolarHBondContact CA-O 3.41Å; I1190-G1197 VanDerWaalsContact CG1-O 3.27Å; I1190-G1197 WeakPolarHBondContact CG1-O 3.29Å; I1190-A1199 HydrophobicContact CB-CB 4.49Å; I1190-A1199 HydrophobicContact CD1-CB 3.68Å; I1190-A1199 HydrophobicContact CG1-CB 3.84Å; I1190-L1226 HydrophobicContact CD1-CD2 4.45Å; I1190-L1322 HydrophobicContact CD1-CD2 3.98Å
1191D69.6Low73.9Confident22 Ų2264.7 Ų64.712%0.11835%0.351CS..  trans-65.3110.9170.1-164.5-64.2000110.7R1186 S1193 R1194 G1195 L1196R1186-D1191 IonicContact CZ-OD2 3.15Å; R1186-D1191 IonicContact NH1-OD2 2.67Å; R1186-D1191 PolarHBondContact NH1-OD2 3.42Å; R1186-D1191 IonicContact NH2-OD2 2.67Å; R1186-D1191 PolarHBondContact NH2-OD2 2.68Å; D1191-S1193 PolarHBondContact O-N 3.33Å; D1191-S1193 PolarHBondContact OD1-N 3.37Å; D1191-S1193 VanDerWaalsContact OD1-N 3.16Å; D1191-S1193 PolarHBondContact OD1-OG 3.09Å; D1191-R1194 HydrophobicContact CB-CB 4.39Å; D1191-R1194 PolarHBondContact O-N 2.67Å; D1191-R1194 VanDerWaalsContact O-N 3.08Å; D1191-G1195 PolarHBondContact O-N 2.88Å; D1191-L1196 WeakPolarHBondContact CB-O 3.41Å; D1191-L1196 PolarHBondContact N-O 3.48Å
1192P63.6Low74.7Confident82 Ų8263.6 Ų63.653%0.53235%0.347SS..THydrogen-bonded Turntrans-68.4-7.6-171.5-21.234.7000114.7I1190 F1325I1190-P1192 WeakPolarHBondContact O-CD 3.16Å; P1192-F1325 WeakPolarHBondContact O-CZ 3.27Å
1193S63.5Low75.5Confident91 Ų9158.8 Ų58.864%0.63632%0.315SS*.THydrogen-bonded Turntrans-95-25.5175.572.70000113.3D1191D1191-S1193 PolarHBondContact O-N 3.33Å; D1191-S1193 PolarHBondContact OD1-N 3.37Å; D1191-S1193 VanDerWaalsContact OD1-N 3.16Å; D1191-S1193 PolarHBondContact OD1-OG 3.09Å
1194R67.8Low76.7Confident156 Ų15649.9 Ų49.959%0.58927%0.273SS*.THydrogen-bonded Turntrans-119.9-16.4-172-62.917674.3-145-2.2114.6D1191 L1196D1191-R1194 HydrophobicContact CB-CB 4.39Å; D1191-R1194 PolarHBondContact O-N 2.67Å; D1191-R1194 VanDerWaalsContact O-N 3.08Å; R1194-L1196 HydrophobicContact CB-CB 4.4Å; R1194-L1196 HydrophobicContact CB-CD1 4.19Å; R1194-L1196 HydrophobicContact CB-CG 4.12Å; R1194-L1196 VanDerWaalsContact CZ-CD1 3.48Å; R1194-L1196 PolarHBondContact O-N 3.2Å
1195G70.1Confident77.9Confident1 Ų150.9 Ų50.91%0.0128%0.275CS..  trans70.711.1-173.600000114.1D1191 L1226D1191-G1195 PolarHBondContact O-N 2.88Å; G1195-L1226 WeakPolarHBondContact O-CG 3.48Å
1196L80Confident78.8Confident58 Ų5848.5 Ų48.530%0.30426%0.264SS..  trans-99.3148.6-176.9-62.5176.2000111.5I1190 D1191 R1194 D1225I1190-L1196 CarbonylContact C-O 3.48Å; I1190-L1196 WeakPolarHBondContact CA-O 3.41Å; D1191-L1196 WeakPolarHBondContact CB-O 3.41Å; D1191-L1196 PolarHBondContact N-O 3.48Å; R1194-L1196 HydrophobicContact CB-CB 4.4Å; R1194-L1196 HydrophobicContact CB-CD1 4.19Å; R1194-L1196 HydrophobicContact CB-CG 4.12Å; R1194-L1196 VanDerWaalsContact CZ-CD1 3.48Å; R1194-L1196 PolarHBondContact O-N 3.2Å; L1196-D1225 VanDerWaalsContact CA-OD1 3.27Å; L1196-D1225 WeakPolarHBondContact CA-OD1 3.31Å; L1196-D1225 HydrophobicContact CD2-CB 3.96Å; L1196-D1225 WeakPolarHBondContact CD2-OD1 3.3Å
1197G85.1Confident79.6Confident0 Ų045 Ų450%026%0.255CS..SBendtrans116.8171.9-177.800000112.5C1145 T1146 S1147 I1190 C1224 D1225C1145-G1197 WeakPolarHBondContact O-CA 3.46Å; T1146-G1197 WeakPolarHBondContact OG1-CA 3.48Å; S1147-G1197 WeakPolarHBondContact OG-CA 3.06Å; S1147-G1197 PolarHBondContact OG-N 3.14Å; S1147-G1197 VanDerWaalsContact OG-N 3.13Å; I1190-G1197 VanDerWaalsContact CG1-O 3.27Å; I1190-G1197 WeakPolarHBondContact CG1-O 3.29Å; G1197-C1224 WeakPolarHBondContact O-CA 3.39Å; G1197-D1225 PolarHBondContact N-OD1 3.36Å; G1197-D1225 PolarHBondContact O-N 3.43Å
1198T88Confident80.5Confident0 Ų043.8 Ų43.80%024%0.239CC..EExtended strand (participates in β ladder)trans-89.6120170.7-54.70000110.1K1141 T1146 G1189 V1222 I1223K1141-T1198 HydrophobicContact CD-CG2 4.47Å; K1141-T1198 VanDerWaalsContact CE-OG1 3.29Å; K1141-T1198 WeakPolarHBondContact CE-OG1 3.19Å; K1141-T1198 VanDerWaalsContact NZ-CG2 3.31Å; T1146-T1198 WeakPolarHBondContact O-CB 3.42Å; T1146-T1198 PolarHBondContact O-N 2.91Å; T1146-T1198 VanDerWaalsContact O-N 3.16Å; T1146-T1198 PolarHBondContact O-OG1 3.43Å; T1146-T1198 PolarHBondContact OG1-N 3.48Å; G1189-T1198 CarbonylContact C-O 3.58Å; G1189-T1198 VanDerWaalsContact C-O 3.26Å; G1189-T1198 VanDerWaalsContact CA-O 3.28Å; G1189-T1198 WeakPolarHBondContact CA-O 3.29Å; G1189-T1198 PolarHBondContact N-O 3.07Å; T1198-V1222 HydrophobicContact CG2-CG1 3.48Å; T1198-V1222 VanDerWaalsContact CG2-CG1 3.48Å; T1198-I1223 WeakPolarHBondContact CA-O 3.39Å; T1198-I1223 WeakPolarHBondContact CG2-O 3.47Å
1199A84.5Confident80.7Confident35 Ų3543.5 Ų43.529%0.28924%0.244SC..EExtended strand (participates in β ladder)trans-80.7-43.9173.500000112.4I1190 I1223 L1322I1190-A1199 HydrophobicContact CB-CB 4.49Å; I1190-A1199 HydrophobicContact CD1-CB 3.68Å; I1190-A1199 HydrophobicContact CG1-CB 3.84Å; A1199-I1223 HydrophobicContact CB-CG2 4.38Å; A1199-I1223 PolarHBondContact N-O 3.38Å; A1199-L1322 HydrophobicContact CB-CD1 3.87Å
1200Y87.3Confident80.8Confident45 Ų4545.5 Ų45.518%0.17626%0.264CS..EExtended strand (participates in β ladder)trans-157149.4-170.8-163.2-119.7000110.4I1223 E1311 K1314 W1315Y1200-I1223 PolarHBondContact O-N 3.25Å; Y1200-E1311 PolarHBondContact OH-OE1 3.42Å; Y1200-E1311 VanDerWaalsContact OH-OE1 3.1Å; Y1200-K1314 HydrophobicContact CE1-CB 4.26Å; Y1200-K1314 VanDerWaalsContact OH-CB 3.29Å; Y1200-K1314 WeakPolarHBondContact OH-CB 3.16Å; Y1200-K1314 WeakPolarHBondContact OH-CD 3.39Å; Y1200-W1315 AromaticContact CD1-CD2 3.79Å; Y1200-W1315 HydrophobicContact CD1-CD2 3.79Å; Y1200-W1315 AromaticContact CD1-CE3 3.48Å; Y1200-W1315 HydrophobicContact CD1-CE3 3.48Å; Y1200-W1315 VanDerWaalsContact CD1-CE3 3.48Å; Y1200-W1315 AromaticContact CD1-CH2 3.84Å; Y1200-W1315 HydrophobicContact CD1-CH2 3.84Å; Y1200-W1315 HydrophobicContact CD1-CZ2 4.18Å; Y1200-W1315 AromaticContact CD1-CZ3 3.5Å; Y1200-W1315 HydrophobicContact CD1-CZ3 3.5Å; Y1200-W1315 VanDerWaalsContact CD1-CZ3 3.5Å; Y1200-W1315 AromaticContact CE1-CD2 3.58Å; Y1200-W1315 HydrophobicContact CE1-CD2 3.58Å; Y1200-W1315 AromaticContact CE1-CE2 3.74Å; Y1200-W1315 AromaticContact CE1-CE3 3.81Å; Y1200-W1315 HydrophobicContact CE1-CE3 3.81Å; Y1200-W1315 AromaticContact CE1-CG 3.98Å; Y1200-W1315 HydrophobicContact CE1-CG 3.98Å; Y1200-W1315 HydrophobicContact CE1-CH2 4.22Å; Y1200-W1315 HydrophobicContact CE1-CZ2 4.07Å; Y1200-W1315 HydrophobicContact CE1-CZ3 4.11Å; Y1200-W1315 HydrophobicContact CG-CZ3 4.49Å
1201E90.6Very high80.9Confident55 Ų5545.7 Ų45.726%0.25727%0.273SS..EExtended strand (participates in β ladder)trans-148.7160.9179.777.4-167.613800110.7K1141 Y1220 L1221 V1222K1141-E1201 WeakPolarHBondContact CE-OE2 3.4Å; K1141-E1201 IonicContact NZ-OE1 2.73Å; K1141-E1201 PolarHBondContact NZ-OE1 2.81Å; K1141-E1201 IonicContact NZ-OE2 3.97Å; K1141-E1201 PolarHBondContact NZ-OE2 2.83Å; E1201-Y1220 WeakPolarHBondContact CG-OH 3.39Å; E1201-Y1220 PolarHBondContact OE2-OH 3.35Å; E1201-L1221 CarbonylContact C-O 3.53Å; E1201-L1221 WeakPolarHBondContact CA-O 3.49Å; E1201-V1222 HydrophobicContact CB-CB 4.48Å; E1201-V1222 HydrophobicContact CB-CG1 4.14Å; E1201-V1222 HydrophobicContact CB-CG2 4.24Å
1202G89.1Confident81.3Confident17 Ų1745.3 Ų45.318%0.17527%0.272CS..EExtended strand (participates in β ladder)trans159.7-178.5171.500000112.8L1221G1202-L1221 PolarHBondContact N-O 3.18Å; G1202-L1221 PolarHBondContact O-N 2.86Å
1203M90Very high82.1Confident13 Ų1351 Ų516%0.06428%0.282CS..EExtended strand (participates in β ladder)trans-73.9135175.9-75-60.6-60.800111.7P1218 Y1220 T1235 P1241 D1307M1203-P1218 HydrophobicContact CE-CB 3.67Å; M1203-Y1220 HydrophobicContact SD-CD2 3.97Å; M1203-T1235 HydrophobicContact CE-CG2 3.54Å; M1203-P1241 HydrophobicContact CG-CB 4.41Å; M1203-P1241 HydrophobicContact CG-CG 4.21Å; M1203-P1241 HydrophobicContact SD-CB 3.59Å; M1203-P1241 VanDerWaalsContact SD-CB 3.59Å; M1203-P1241 HydrophobicContact SD-CG 4.02Å; M1203-D1307 WeakPolarHBondContact CB-OD2 3.47Å
1204V93.1Very high83Confident0 Ų055.4 Ų55.40%029%0.285CS..EExtended strand (participates in β ladder)trans-129.9-179.2159-59.80000108.7Q1219 L1221 F1281 L1304 M1305 W1315V1204-Q1219 CarbonylContact C-O 3.47Å; V1204-Q1219 HydrophobicContact CG2-CB 4.45Å; V1204-Q1219 WeakPolarHBondContact CG2-O 3.3Å; V1204-Q1219 PolarHBondContact N-O 3.5Å; V1204-Q1219 PolarHBondContact O-N 2.98Å; V1204-L1221 HydrophobicContact CB-CB 4.48Å; V1204-L1221 HydrophobicContact CG1-CB 4.02Å; V1204-L1221 HydrophobicContact CG1-CD2 3.81Å; V1204-L1221 HydrophobicContact CG2-CB 3.67Å; V1204-L1221 HydrophobicContact CG2-CD2 4.3Å; V1204-F1281 HydrophobicContact CG1-CE1 4.28Å; V1204-F1281 HydrophobicContact CG1-CZ 4.23Å; V1204-L1304 HydrophobicContact CG2-CD2 4.48Å; V1204-M1305 CarbonylContact C-O 3.56Å; V1204-M1305 VanDerWaalsContact C-O 3.24Å; V1204-M1305 WeakPolarHBondContact CA-O 3.21Å; V1204-W1315 HydrophobicContact CG1-CZ2 4.08Å
1205K92.3Very high83.7Confident49 Ų4949.2 Ų49.221%0.21327%0.27CS..EExtended strand (participates in β ladder)trans-138.1139.6172.1-41.8-172.2174.891.20108.1W1216 T1217 P1218 M1305 D1307K1205-W1216 HydrophobicContact CB-CB 3.92Å; K1205-W1216 HydrophobicContact CB-CE3 4.27Å; K1205-W1216 WeakPolarHBondContact O-CZ3 3.27Å; K1205-T1217 CarbonylContact C-O 3.57Å; K1205-T1217 WeakPolarHBondContact CA-O 3.4Å; K1205-T1217 WeakPolarHBondContact CB-O 3.44Å; K1205-P1218 HydrophobicContact CG-CB 4.47Å; K1205-M1305 HydrophobicContact CB-CB 4.27Å; K1205-M1305 HydrophobicContact CB-CE 4.2Å; K1205-M1305 HydrophobicContact CD-CE 3.83Å; K1205-M1305 HydrophobicContact CG-CE 4.34Å; K1205-M1305 PolarHBondContact N-O 3.45Å; K1205-M1305 WeakPolarHBondContact O-CB 3.5Å; K1205-M1305 PolarHBondContact O-N 3.43Å; K1205-D1307 IonicContact NZ-OD1 3.68Å; K1205-D1307 PolarHBondContact NZ-OD1 2.78Å
1206V91.1Very high84.6Confident19 Ų1950.2 Ų50.212%0.11527%0.273CS..EExtended strand (participates in β ladder)trans-110.3156.6179.6-58.20000111.4K1208 W1216 T1217 Q1219 L1230 L1304V1206-K1208 PolarHBondContact O-N 2.8Å; V1206-W1216 CarbonylContact O-C 3.48Å; V1206-W1216 WeakPolarHBondContact O-CA 3.3Å; V1206-T1217 PolarHBondContact N-O 2.93Å; V1206-T1217 PolarHBondContact O-N 3.38Å; V1206-Q1219 HydrophobicContact CG1-CB 4.47Å; V1206-Q1219 HydrophobicContact CG1-CG 4.29Å; V1206-Q1219 VanDerWaalsContact CG2-CD 3.46Å; V1206-Q1219 HydrophobicContact CG2-CG 3.88Å; V1206-L1230 HydrophobicContact CG1-CD2 3.82Å; V1206-L1304 HydrophobicContact CG1-CD2 3.87Å
1207P89.1Confident85.1Confident35 Ų3549.1 Ų49.123%0.22727%0.269CS..EExtended strand (participates in β ladder)trans-62.5134.7174.6-19.631.8000110.9V1212 W1216 L1303P1207-V1212 HydrophobicContact CB-CG2 3.71Å; P1207-V1212 HydrophobicContact CG-CG2 3.65Å; P1207-W1216 HydrophobicContact CG-CE3 4.45Å; P1207-W1216 HydrophobicContact CG-CH2 4.17Å; P1207-W1216 HydrophobicContact CG-CZ3 3.82Å; P1207-L1303 VanDerWaalsContact CD-O 3.3Å; P1207-L1303 WeakPolarHBondContact CD-O 3.48Å; P1207-L1303 HydrophobicContact CG-CB 3.87Å; P1207-L1303 HydrophobicContact CG-CD1 4.22Å
1208K86.4Confident85.3Confident82 Ų8250.5 Ų50.536%0.35728%0.278SS..PPolyproline II helixtrans-64156.6172-82.9165.4168.8152.40111.5V1206 G1210 G1211 R1214 G1215 W1216 T1217V1206-K1208 PolarHBondContact O-N 2.8Å; K1208-G1210 PolarHBondContact O-N 3.49Å; K1208-G1211 WeakPolarHBondContact O-CA 3.44Å; K1208-G1211 PolarHBondContact O-N 2.94Å; K1208-R1214 HydrophobicContact CB-CB 3.67Å; K1208-R1214 WeakPolarHBondContact CD-O 3.34Å; K1208-G1215 WeakPolarHBondContact CB-O 3.49Å; K1208-G1215 PolarHBondContact N-O 3.08Å; K1208-W1216 WeakPolarHBondContact CE-O 3.42Å; K1208-W1216 PolarHBondContact NZ-O 3.37Å; K1208-T1217 WeakPolarHBondContact CE-OG1 3.43Å; K1208-T1217 WeakPolarHBondContact CG-OG1 3.32Å
1209P73.2Confident85.6Confident100 Ų10051 Ų5165%0.64928%0.28SS*.THydrogen-bonded Turntrans-51.3124.4175-29.136.4000112.3R1214P1209-R1214 VanDerWaalsContact O-CD 3.25Å; P1209-R1214 WeakPolarHBondContact O-CD 3.48Å; P1209-R1214 VanDerWaalsContact O-CG 3.27Å; P1209-R1214 WeakPolarHBondContact O-CG 3.45Å
1210G69.5Low86.1Confident66 Ų6650.9 Ų50.968%0.6827%0.273SS*.THydrogen-bonded Turntrans95.212.2-165.800000114.7K1208K1208-G1210 PolarHBondContact O-N 3.49Å
1211G74.6Confident86.4Confident33 Ų3348.7 Ų48.734%0.3426%0.264SS..  trans80-178.9173.300000114K1208 R1213 R1214K1208-G1211 WeakPolarHBondContact O-CA 3.44Å; K1208-G1211 PolarHBondContact O-N 2.94Å; G1211-R1213 PolarHBondContact O-N 3.09Å; G1211-R1214 WeakPolarHBondContact O-CB 3.32Å; G1211-R1214 PolarHBondContact O-N 3.36Å
1212V79.1Confident86.5Confident15 Ų1546.1 Ų46.19%0.09125%0.252CS..G310 helixtrans-56.6-22.4-173.4174.30000113.4P1207 R1214 G1215 W1216 V1269 H1271 A1272 L1303P1207-V1212 HydrophobicContact CB-CG2 3.71Å; P1207-V1212 HydrophobicContact CG-CG2 3.65Å; V1212-R1214 PolarHBondContact O-N 2.87Å; V1212-G1215 WeakPolarHBondContact O-CA 3.4Å; V1212-G1215 PolarHBondContact O-N 2.81Å; V1212-W1216 HydrophobicContact CB-CZ2 4.14Å; V1212-W1216 HydrophobicContact CG1-CH2 4.44Å; V1212-W1216 HydrophobicContact CG1-CZ2 3.52Å; V1212-W1216 HydrophobicContact CG2-CH2 3.52Å; V1212-W1216 HydrophobicContact CG2-CZ2 3.45Å; V1212-W1216 VanDerWaalsContact CG2-CZ2 3.45Å; V1212-W1216 HydrophobicContact CG2-CZ3 4.29Å; V1212-V1269 HydrophobicContact CB-CG1 3.97Å; V1212-V1269 HydrophobicContact CG1-CG1 3.96Å; V1212-V1269 HydrophobicContact CG2-CG1 3.66Å; V1212-H1271 HydrophobicContact CB-CB 4.01Å; V1212-H1271 HydrophobicContact CG1-CB 3.87Å; V1212-A1272 HydrophobicContact CG1-CB 4.08Å; V1212-L1303 HydrophobicContact CG2-CD1 4.08Å
1213R80.5Confident86.6Confident201 Ų20145.3 Ų45.376%0.75824%0.244SC*.G310 helixtrans-55.7-30.2171-168.7177.4177.4177.30.2113.7G1211 G1215 H1271G1211-R1213 PolarHBondContact O-N 3.09Å; R1213-G1215 PolarHBondContact O-N 2.77Å; R1213-H1271 HydrophobicContact CB-CB 4.36Å; R1213-H1271 WeakPolarHBondContact CD-NE2 3.22Å
1214R82.3Confident86.7Confident184 Ų18444.7 Ų44.769%0.69424%0.24SC*.G310 helixtrans-83.93.3177.2-65.4-114.9-177.4-177.91.8112.8K1208 P1209 G1211 V1212K1208-R1214 HydrophobicContact CB-CB 3.67Å; K1208-R1214 WeakPolarHBondContact CD-O 3.34Å; P1209-R1214 VanDerWaalsContact O-CD 3.25Å; P1209-R1214 WeakPolarHBondContact O-CD 3.48Å; P1209-R1214 VanDerWaalsContact O-CG 3.27Å; P1209-R1214 WeakPolarHBondContact O-CG 3.45Å; G1211-R1214 WeakPolarHBondContact O-CB 3.32Å; G1211-R1214 PolarHBondContact O-N 3.36Å; V1212-R1214 PolarHBondContact O-N 2.87Å
1215G82.2Confident86.4Confident26 Ų2646 Ų4627%0.26825%0.248SC..  trans84.1-173.1-174.800000112.9K1208 V1212 R1213K1208-G1215 WeakPolarHBondContact CB-O 3.49Å; K1208-G1215 PolarHBondContact N-O 3.08Å; V1212-G1215 WeakPolarHBondContact O-CA 3.4Å; V1212-G1215 PolarHBondContact O-N 2.81Å; R1213-G1215 PolarHBondContact O-N 2.77Å
1216W88.3Confident86.2Confident22 Ų2244.3 Ų44.38%0.08324%0.241CC..EExtended strand (participates in β ladder)trans-103.1149.8-179.4-59.893.3000111.7K1205 V1206 P1207 K1208 V1212 A1272 E1276 I1280 L1303 M1305K1205-W1216 HydrophobicContact CB-CB 3.92Å; K1205-W1216 HydrophobicContact CB-CE3 4.27Å; K1205-W1216 WeakPolarHBondContact O-CZ3 3.27Å; V1206-W1216 CarbonylContact O-C 3.48Å; V1206-W1216 WeakPolarHBondContact O-CA 3.3Å; P1207-W1216 HydrophobicContact CG-CE3 4.45Å; P1207-W1216 HydrophobicContact CG-CH2 4.17Å; P1207-W1216 HydrophobicContact CG-CZ3 3.82Å; K1208-W1216 WeakPolarHBondContact CE-O 3.42Å; K1208-W1216 PolarHBondContact NZ-O 3.37Å; V1212-W1216 HydrophobicContact CB-CZ2 4.14Å; V1212-W1216 HydrophobicContact CG1-CH2 4.44Å; V1212-W1216 HydrophobicContact CG1-CZ2 3.52Å; V1212-W1216 HydrophobicContact CG2-CH2 3.52Å; V1212-W1216 HydrophobicContact CG2-CZ2 3.45Å; V1212-W1216 VanDerWaalsContact CG2-CZ2 3.45Å; V1212-W1216 HydrophobicContact CG2-CZ3 4.29Å; W1216-A1272 HydrophobicContact CZ2-CB 4.46Å; W1216-E1276 VanDerWaalsContact CD1-OE1 3.24Å; W1216-E1276 PolarHBondContact NE1-OE1 3.36Å; W1216-E1276 PolarHBondContact NE1-OE2 3.48Å; W1216-I1280 HydrophobicContact CH2-CD1 3.48Å; W1216-I1280 VanDerWaalsContact CH2-CD1 3.48Å; W1216-I1280 HydrophobicContact CH2-CG1 3.6Å; W1216-I1280 HydrophobicContact CH2-CG2 4.39Å; W1216-I1280 HydrophobicContact CZ2-CD1 3.28Å; W1216-I1280 HydrophobicContact CZ2-CG1 3.76Å; W1216-I1280 HydrophobicContact CZ3-CG1 4.47Å; W1216-L1303 HydrophobicContact CH2-CB 4.35Å; W1216-M1305 HydrophobicContact CB-CE 4.15Å; W1216-M1305 HydrophobicContact CD2-CB 4.31Å; W1216-M1305 HydrophobicContact CD2-CE 3.7Å; W1216-M1305 HydrophobicContact CD2-SD 4Å; W1216-M1305 HydrophobicContact CE3-CB 3.87Å; W1216-M1305 HydrophobicContact CE3-CE 4.35Å; W1216-M1305 HydrophobicContact CE3-SD 4.49Å; W1216-M1305 HydrophobicContact CG-CE 3.53Å; W1216-M1305 HydrophobicContact CG-SD 4.39Å; W1216-M1305 HydrophobicContact CH2-CB 4.18Å; W1216-M1305 HydrophobicContact CZ2-SD 4.06Å; W1216-M1305 HydrophobicContact CZ3-CB 3.78Å
1217T89.9Confident86.2Confident34 Ų3444 Ų4421%0.20924%0.238CC..EExtended strand (participates in β ladder)trans-110.5127.1164.8-66.40000108.3K1205 V1206 K1208K1205-T1217 CarbonylContact C-O 3.57Å; K1205-T1217 WeakPolarHBondContact CA-O 3.4Å; K1205-T1217 WeakPolarHBondContact CB-O 3.44Å; V1206-T1217 PolarHBondContact N-O 2.93Å; V1206-T1217 PolarHBondContact O-N 3.38Å; K1208-T1217 WeakPolarHBondContact CE-OG1 3.43Å; K1208-T1217 WeakPolarHBondContact CG-OG1 3.32Å
1218P91.3Very high86.5Confident29 Ų2942.3 Ų42.319%0.18823%0.227CC..EExtended strand (participates in β ladder)trans-64.1135.1172.324.6-30.1000111.6M1203 K1205 C1233 T1235M1203-P1218 HydrophobicContact CE-CB 3.67Å; K1205-P1218 HydrophobicContact CG-CB 4.47Å; P1218-C1233 VanDerWaalsContact C-SG 3.51Å; P1218-C1233 PolarHBondContact O-N 3.08Å; P1218-C1233 PolarHBondContact O-SG 3.4Å; P1218-C1233 VanDerWaalsContact O-SG 3.36Å; P1218-T1235 HydrophobicContact CB-CG2 3.81Å; P1218-T1235 HydrophobicContact CG-CG2 4.2Å
1219Q93.7Very high86.9Confident10 Ų1038.5 Ų38.55%0.04721%0.21CC..EExtended strand (participates in β ladder)trans-137.8139.1175.2-67.4-162-31.100110.4V1204 V1206 Y1231 D1232 C1233 S1249V1204-Q1219 CarbonylContact C-O 3.47Å; V1204-Q1219 HydrophobicContact CG2-CB 4.45Å; V1204-Q1219 WeakPolarHBondContact CG2-O 3.3Å; V1204-Q1219 PolarHBondContact N-O 3.5Å; V1204-Q1219 PolarHBondContact O-N 2.98Å; V1206-Q1219 HydrophobicContact CG1-CB 4.47Å; V1206-Q1219 HydrophobicContact CG1-CG 4.29Å; V1206-Q1219 VanDerWaalsContact CG2-CD 3.46Å; V1206-Q1219 HydrophobicContact CG2-CG 3.88Å; Q1219-Y1231 CarbonylContact C-O 3.41Å; Q1219-Y1231 WeakPolarHBondContact CA-O 3.42Å; Q1219-Y1231 VanDerWaalsContact CB-O 3.31Å; Q1219-Y1231 WeakPolarHBondContact CB-O 3.46Å; Q1219-D1232 PolarHBondContact NE2-OD1 3.44Å; Q1219-C1233 VanDerWaalsContact CA-SG 3.58Å; Q1219-S1249 PolarHBondContact NE2-OG 2.63Å
1220Y93.8Very high87.9Confident33 Ų3333.8 Ų33.813%0.12918%0.18CC..EExtended strand (participates in β ladder)trans-82.7118.9173-166.2-112.5000109P1139 E1201 M1203 V1222 Y1231 P1241 V1244P1139-Y1220 HydrophobicContact CB-CD1 4.28Å; P1139-Y1220 HydrophobicContact CB-CE1 4.37Å; P1139-Y1220 HydrophobicContact CG-CD1 4.09Å; E1201-Y1220 WeakPolarHBondContact CG-OH 3.39Å; E1201-Y1220 PolarHBondContact OE2-OH 3.35Å; M1203-Y1220 HydrophobicContact SD-CD2 3.97Å; Y1220-V1222 HydrophobicContact CD1-CG2 3.68Å; Y1220-V1222 HydrophobicContact CE1-CG2 3.57Å; Y1220-Y1231 PolarHBondContact N-O 3.43Å; Y1220-Y1231 PolarHBondContact O-N 3.42Å; Y1220-P1241 HydrophobicContact CD2-CB 3.93Å; Y1220-P1241 HydrophobicContact CD2-CG 3.85Å; Y1220-P1241 HydrophobicContact CE2-CB 4.35Å; Y1220-P1241 HydrophobicContact CE2-CG 3.8Å; Y1220-V1244 HydrophobicContact CD1-CG1 4.36Å; Y1220-V1244 HydrophobicContact CG-CG1 4.25Å
1221L94.2Very high89.1Confident0 Ų030.9 Ų30.90%015%0.148CC..EExtended strand (participates in β ladder)trans-101.1136.8178.4173.463000109.9E1201 G1202 V1204 L1228 F1229 L1230 F1281 L1304 W1315E1201-L1221 CarbonylContact C-O 3.53Å; E1201-L1221 WeakPolarHBondContact CA-O 3.49Å; G1202-L1221 PolarHBondContact N-O 3.18Å; G1202-L1221 PolarHBondContact O-N 2.86Å; V1204-L1221 HydrophobicContact CB-CB 4.48Å; V1204-L1221 HydrophobicContact CG1-CB 4.02Å; V1204-L1221 HydrophobicContact CG1-CD2 3.81Å; V1204-L1221 HydrophobicContact CG2-CB 3.67Å; V1204-L1221 HydrophobicContact CG2-CD2 4.3Å; L1221-L1228 HydrophobicContact CD1-CB 3.83Å; L1221-L1228 HydrophobicContact CD1-CD2 4.33Å; L1221-L1228 HydrophobicContact CD1-CG 4.07Å; L1221-F1229 CarbonylContact C-O 3.58Å; L1221-F1229 WeakPolarHBondContact CA-O 3.25Å; L1221-L1230 HydrophobicContact CD1-CD1 3.85Å; L1221-L1230 HydrophobicContact CD1-CG 3.99Å; L1221-F1281 HydrophobicContact CD2-CZ 4.28Å; L1221-L1304 HydrophobicContact CD2-CD1 4.04Å; L1221-W1315 HydrophobicContact CB-CH2 3.73Å; L1221-W1315 HydrophobicContact CB-CZ2 4.01Å; L1221-W1315 HydrophobicContact CB-CZ3 4.36Å; L1221-W1315 HydrophobicContact CD2-CD2 4.09Å; L1221-W1315 HydrophobicContact CD2-CE3 3.65Å; L1221-W1315 HydrophobicContact CD2-CH2 3.56Å; L1221-W1315 HydrophobicContact CD2-CZ2 3.94Å; L1221-W1315 HydrophobicContact CD2-CZ3 3.38Å; L1221-W1315 HydrophobicContact CG-CE3 4.34Å; L1221-W1315 HydrophobicContact CG-CH2 3.43Å; L1221-W1315 VanDerWaalsContact CG-CH2 3.43Å; L1221-W1315 HydrophobicContact CG-CZ2 4.09Å; L1221-W1315 HydrophobicContact CG-CZ3 3.56Å; L1221-W1315 WeakPolarHBondContact O-CH2 3.35Å
1222V92.8Very high89.9Confident0 Ų032.5 Ų32.50%015%0.149CC..EExtended strand (participates in β ladder)trans-133.8128.6174-168.90000109.6L1148 T1198 E1201 Y1220 C1224 F1229 Y1231L1148-V1222 HydrophobicContact CD1-CB 3.77Å; L1148-V1222 HydrophobicContact CD1-CG1 3.67Å; L1148-V1222 HydrophobicContact CD1-CG2 4.23Å; L1148-V1222 HydrophobicContact CD2-CG1 4.22Å; L1148-V1222 HydrophobicContact CD2-CG2 4.48Å; L1148-V1222 HydrophobicContact CG-CG1 3.97Å; T1198-V1222 HydrophobicContact CG2-CG1 3.48Å; T1198-V1222 VanDerWaalsContact CG2-CG1 3.48Å; E1201-V1222 HydrophobicContact CB-CB 4.48Å; E1201-V1222 HydrophobicContact CB-CG1 4.14Å; E1201-V1222 HydrophobicContact CB-CG2 4.24Å; Y1220-V1222 HydrophobicContact CD1-CG2 3.68Å; Y1220-V1222 HydrophobicContact CE1-CG2 3.57Å; V1222-C1224 HydrophobicContact CG1-CB 4.25Å; V1222-F1229 HydrophobicContact CB-CB 4.46Å; V1222-F1229 PolarHBondContact N-O 2.85Å; V1222-F1229 PolarHBondContact O-N 3.31Å; V1222-Y1231 HydrophobicContact CG2-CD2 4.48Å; V1222-Y1231 HydrophobicContact CG2-CE2 4.16Å
1223I92.4Very high90.4Very high0 Ų032.7 Ų32.70%015%0.151CC..EExtended strand (participates in β ladder)trans-95.5104.7170.8-63.8158.8000108.5T1198 A1199 Y1200 K1227 L1228 M1254 W1315 L1319 L1322T1198-I1223 WeakPolarHBondContact CA-O 3.39Å; T1198-I1223 WeakPolarHBondContact CG2-O 3.47Å; A1199-I1223 HydrophobicContact CB-CG2 4.38Å; A1199-I1223 PolarHBondContact N-O 3.38Å; Y1200-I1223 PolarHBondContact O-N 3.25Å; I1223-K1227 WeakPolarHBondContact CA-O 3.19Å; I1223-L1228 HydrophobicContact CG1-CD1 4.28Å; I1223-L1228 HydrophobicContact CG1-CG 4.11Å; I1223-M1254 HydrophobicContact CG2-SD 3.79Å; I1223-W1315 HydrophobicContact CD1-CE3 3.77Å; I1223-W1315 HydrophobicContact CD1-CZ3 3.52Å; I1223-W1315 HydrophobicContact CG1-CZ3 3.91Å; I1223-L1319 HydrophobicContact CD1-CD1 4.3Å; I1223-L1319 HydrophobicContact CD1-CD2 3.34Å; I1223-L1319 HydrophobicContact CD1-CG 3.61Å; I1223-L1319 HydrophobicContact CG1-CD2 3.93Å; I1223-L1322 HydrophobicContact CG2-CD1 3.57Å
1224C91Very high90.7Very high0 Ų025.1 Ų25.10%013%0.129CC..EExtended strand (participates in β ladder)trans-135138.8-174.6-173.20000110.4S1147 L1148 G1197 V1222 L1226 K1227 F1229S1147-C1224 WeakPolarHBondContact CA-SG 3.37Å; L1148-C1224 HydrophobicContact CB-CB 4.47Å; L1148-C1224 HydrophobicContact CD1-CB 3.88Å; L1148-C1224 HydrophobicContact CG-CB 4.06Å; L1148-C1224 PolarHBondContact N-SG 3.34Å; G1197-C1224 WeakPolarHBondContact O-CA 3.39Å; V1222-C1224 HydrophobicContact CG1-CB 4.25Å; C1224-L1226 PolarHBondContact O-N 2.67Å; C1224-K1227 PolarHBondContact N-O 3.48Å; C1224-K1227 PolarHBondContact O-N 2.8Å; C1224-K1227 VanDerWaalsContact O-O 3.11Å; C1224-F1229 HydrophobicContact CB-CD2 3.97Å; C1224-F1229 HydrophobicContact CB-CE2 3.86Å; C1224-F1229 WeakPolarHBondContact O-CE2 3.08Å
1225D87.8Confident90.7Very high29 Ų2919.2 Ų19.216%0.15511%0.113CC..THydrogen-bonded Turntrans47.440.4174.3-49.4-47.7000113.8S1147 L1196 G1197 K1227S1147-D1225 WeakPolarHBondContact CB-OD1 3.44Å; S1147-D1225 VanDerWaalsContact CB-OD2 3.32Å; S1147-D1225 WeakPolarHBondContact CB-OD2 3.43Å; S1147-D1225 PolarHBondContact OG-OD1 3.03Å; S1147-D1225 PolarHBondContact OG-OD2 2.78Å; L1196-D1225 VanDerWaalsContact CA-OD1 3.27Å; L1196-D1225 WeakPolarHBondContact CA-OD1 3.31Å; L1196-D1225 HydrophobicContact CD2-CB 3.96Å; L1196-D1225 WeakPolarHBondContact CD2-OD1 3.3Å; G1197-D1225 PolarHBondContact N-OD1 3.36Å; G1197-D1225 PolarHBondContact O-N 3.43Å; D1225-K1227 VanDerWaalsContact C-N 3.31Å; D1225-K1227 PolarHBondContact O-N 3.36Å; D1225-K1227 PolarHBondContact O-NZ 2.78Å
1226L87.6Confident90.8Very high13 Ų1320.3 Ų20.37%0.06811%0.113CC..THydrogen-bonded Turntrans61.331.6-178.7-54.5159.8000114.3I1190 G1195 C1224 M1254 R1255 L1326 L1331I1190-L1226 HydrophobicContact CD1-CD2 4.45Å; G1195-L1226 WeakPolarHBondContact O-CG 3.48Å; C1224-L1226 PolarHBondContact O-N 2.67Å; L1226-M1254 VanDerWaalsContact O-CB 3.23Å; L1226-M1254 WeakPolarHBondContact O-CB 3.31Å; L1226-M1254 WeakPolarHBondContact O-CG 3.33Å; L1226-M1254 PolarHBondContact O-N 2.69Å; L1226-R1255 HydrophobicContact CB-CG 4.39Å; L1226-L1326 HydrophobicContact CD1-CD2 3.75Å; L1226-L1326 HydrophobicContact CD2-CD1 4.18Å; L1226-L1326 HydrophobicContact CD2-CD2 3.87Å; L1226-L1326 HydrophobicContact CD2-CG 3.99Å; L1226-L1326 HydrophobicContact CG-CD2 4.23Å; L1226-L1331 HydrophobicContact CD1-CD1 4.19Å
1227K91.6Very high90.2Very high12 Ų1228.8 Ų28.85%0.05215%0.151CC..EExtended strand (participates in β ladder)trans-133.4152.8172.9-58.5179.3-173.464.10110.9I1223 C1224 D1225 F1229 V1251 I1252 D1253 W1622I1223-K1227 WeakPolarHBondContact CA-O 3.19Å; C1224-K1227 PolarHBondContact N-O 3.48Å; C1224-K1227 PolarHBondContact O-N 2.8Å; C1224-K1227 VanDerWaalsContact O-O 3.11Å; D1225-K1227 VanDerWaalsContact C-N 3.31Å; D1225-K1227 PolarHBondContact O-N 3.36Å; D1225-K1227 PolarHBondContact O-NZ 2.78Å; K1227-F1229 HydrophobicContact CB-CD2 4.28Å; K1227-F1229 HydrophobicContact CB-CE2 3.75Å; K1227-F1229 HydrophobicContact CB-CZ 4.25Å; K1227-F1229 HydrophobicContact CD-CZ 4.37Å; K1227-V1251 HydrophobicContact CB-CG1 3.96Å; K1227-V1251 HydrophobicContact CD-CG1 3.96Å; K1227-V1251 HydrophobicContact CG-CG1 4.41Å; K1227-I1252 CarbonylContact C-O 3.5Å; K1227-I1252 WeakPolarHBondContact CA-O 3.43Å; K1227-D1253 VanDerWaalsContact CE-OD2 3.3Å; K1227-D1253 WeakPolarHBondContact CE-OD2 3.45Å; K1227-W1622 HydrophobicContact CD-CD2 4.29Å; K1227-W1622 HydrophobicContact CD-CH2 3.98Å; K1227-W1622 HydrophobicContact CD-CZ2 3.71Å; K1227-W1622 HydrophobicContact CD-CZ3 4.4Å
1228L94.5Very high89.5Confident0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-95.7119.8170.3-78.565.2000107.9L1221 I1223 L1230 V1251 I1252 M1254 F1259 V1283 L1304 L1319L1221-L1228 HydrophobicContact CD1-CB 3.83Å; L1221-L1228 HydrophobicContact CD1-CD2 4.33Å; L1221-L1228 HydrophobicContact CD1-CG 4.07Å; I1223-L1228 HydrophobicContact CG1-CD1 4.28Å; I1223-L1228 HydrophobicContact CG1-CG 4.11Å; L1228-L1230 HydrophobicContact CB-CD1 4.19Å; L1228-V1251 VanDerWaalsContact O-CA 3.28Å; L1228-V1251 WeakPolarHBondContact O-CA 3.36Å; L1228-I1252 HydrophobicContact CB-CB 4.3Å; L1228-I1252 PolarHBondContact N-O 2.89Å; L1228-I1252 PolarHBondContact O-N 2.89Å; L1228-M1254 HydrophobicContact CD1-CE 4.4Å; L1228-M1254 HydrophobicContact CD1-CG 3.35Å; L1228-M1254 HydrophobicContact CD1-SD 3.63Å; L1228-F1259 HydrophobicContact CD1-CE2 4.07Å; L1228-F1259 HydrophobicContact CD1-CZ 3.7Å; L1228-F1259 HydrophobicContact CD2-CZ 4.29Å; L1228-V1283 HydrophobicContact CD2-CG1 4.27Å; L1228-V1283 HydrophobicContact CD2-CG2 3.85Å; L1228-L1304 HydrophobicContact CD2-CD1 4.35Å; L1228-L1319 HydrophobicContact CD1-CD2 3.73Å; L1228-L1319 HydrophobicContact CD2-CD2 4.13Å; L1228-L1319 HydrophobicContact CG-CD2 4.17Å
1229F95.2Very high88.5Confident1 Ų132.7 Ų32.70%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-105.4117.4175.3-67.3-95.8000109.4L1148 I1150 L1221 V1222 C1224 K1227 Y1231 V1248 V1251 P1591 W1622L1148-F1229 HydrophobicContact CD1-CB 4.07Å; L1148-F1229 HydrophobicContact CD1-CD1 4.43Å; L1148-F1229 HydrophobicContact CD1-CD2 3.85Å; L1148-F1229 HydrophobicContact CD1-CE2 4.39Å; L1148-F1229 HydrophobicContact CD1-CG 3.87Å; I1150-F1229 HydrophobicContact CD1-CE1 3.66Å; I1150-F1229 HydrophobicContact CD1-CE2 4.41Å; I1150-F1229 HydrophobicContact CD1-CZ 3.5Å; I1150-F1229 HydrophobicContact CG1-CE1 4.03Å; I1150-F1229 HydrophobicContact CG1-CZ 4.33Å; L1221-F1229 CarbonylContact C-O 3.58Å; L1221-F1229 WeakPolarHBondContact CA-O 3.25Å; V1222-F1229 HydrophobicContact CB-CB 4.46Å; V1222-F1229 PolarHBondContact N-O 2.85Å; V1222-F1229 PolarHBondContact O-N 3.31Å; C1224-F1229 HydrophobicContact CB-CD2 3.97Å; C1224-F1229 HydrophobicContact CB-CE2 3.86Å; C1224-F1229 WeakPolarHBondContact O-CE2 3.08Å; K1227-F1229 HydrophobicContact CB-CD2 4.28Å; K1227-F1229 HydrophobicContact CB-CE2 3.75Å; K1227-F1229 HydrophobicContact CB-CZ 4.25Å; K1227-F1229 HydrophobicContact CD-CZ 4.37Å; F1229-Y1231 HydrophobicContact CB-CD2 4.41Å; F1229-Y1231 HydrophobicContact CB-CE2 3.73Å; F1229-V1248 HydrophobicContact CB-CG1 4.38Å; F1229-V1248 HydrophobicContact CD1-CG1 4.24Å; F1229-V1248 HydrophobicContact CD1-CG2 3.88Å; F1229-V1251 HydrophobicContact CD1-CG2 3.98Å; F1229-V1251 HydrophobicContact CE1-CG1 4.45Å; F1229-V1251 HydrophobicContact CE1-CG2 4.17Å; F1229-P1591 HydrophobicContact CE1-CB 4.45Å; F1229-W1622 AromaticContact CE1-CH2 3.51Å; F1229-W1622 HydrophobicContact CE1-CH2 3.51Å; F1229-W1622 AromaticContact CE1-CZ3 3.59Å; F1229-W1622 HydrophobicContact CE1-CZ3 3.59Å; F1229-W1622 AromaticContact CZ-CH2 3.79Å; F1229-W1622 HydrophobicContact CZ-CH2 3.79Å; F1229-W1622 AromaticContact CZ-CZ3 3.68Å; F1229-W1622 HydrophobicContact CZ-CZ3 3.68Å
1230L94.5Very high87.7Confident1 Ų138.5 Ų38.51%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-106.8122.4177-66.678.1000109.3V1206 L1221 L1228 V1248 S1249 L1250 L1304V1206-L1230 HydrophobicContact CG1-CD2 3.82Å; L1221-L1230 HydrophobicContact CD1-CD1 3.85Å; L1221-L1230 HydrophobicContact CD1-CG 3.99Å; L1228-L1230 HydrophobicContact CB-CD1 4.19Å; L1230-V1248 CarbonylContact O-C 3.48Å; L1230-V1248 WeakPolarHBondContact O-CG1 3.39Å; L1230-S1249 PolarHBondContact O-N 3.4Å; L1230-S1249 PolarHBondContact O-OG 3.11Å; L1230-S1249 VanDerWaalsContact O-OG 3.11Å; L1230-L1250 HydrophobicContact CB-CB 4.33Å; L1230-L1250 HydrophobicContact CD1-CB 4.38Å; L1230-L1250 HydrophobicContact CD1-CG 4.36Å; L1230-L1250 WeakPolarHBondContact CD1-O 3.38Å; L1230-L1250 HydrophobicContact CD2-CD2 4.33Å; L1230-L1250 PolarHBondContact N-O 3.36Å; L1230-L1250 PolarHBondContact O-N 3.35Å; L1230-L1304 HydrophobicContact CD2-CD2 3.7Å
1231Y93.9Very high87.1Confident5 Ų539 Ų392%0.0221%0.209CC..EExtended strand (participates in β ladder)trans-112.7131.8177.8-61.2-95.7000109.9P1139 L1148 Q1219 Y1220 V1222 F1229 V1244 S1245 Q1247 V1248P1139-Y1231 HydrophobicContact CB-CD2 4.14Å; P1139-Y1231 HydrophobicContact CB-CE1 4.23Å; P1139-Y1231 HydrophobicContact CB-CE2 3.72Å; P1139-Y1231 HydrophobicContact CG-CD1 3.62Å; P1139-Y1231 HydrophobicContact CG-CD2 3.52Å; P1139-Y1231 HydrophobicContact CG-CE1 3.66Å; P1139-Y1231 HydrophobicContact CG-CE2 3.57Å; P1139-Y1231 HydrophobicContact CG-CG 3.53Å; L1148-Y1231 HydrophobicContact CD1-CE2 4.18Å; Q1219-Y1231 CarbonylContact C-O 3.41Å; Q1219-Y1231 WeakPolarHBondContact CA-O 3.42Å; Q1219-Y1231 VanDerWaalsContact CB-O 3.31Å; Q1219-Y1231 WeakPolarHBondContact CB-O 3.46Å; Y1220-Y1231 PolarHBondContact N-O 3.43Å; Y1220-Y1231 PolarHBondContact O-N 3.42Å; V1222-Y1231 HydrophobicContact CG2-CD2 4.48Å; V1222-Y1231 HydrophobicContact CG2-CE2 4.16Å; F1229-Y1231 HydrophobicContact CB-CD2 4.41Å; F1229-Y1231 HydrophobicContact CB-CE2 3.73Å; Y1231-V1244 HydrophobicContact CG-CG1 4.38Å; Y1231-S1245 WeakPolarHBondContact CD1-O 3.48Å; Y1231-Q1247 WeakPolarHBondContact CD1-O 3.45Å; Y1231-V1248 HydrophobicContact CD1-CB 4.4Å; Y1231-V1248 HydrophobicContact CD1-CG2 3.89Å; Y1231-V1248 HydrophobicContact CE1-CB 4.27Å; Y1231-V1248 HydrophobicContact CE1-CG2 3.3Å; Y1231-V1248 HydrophobicContact CE2-CG2 4.27Å
1232D90.9Very high86.6Confident68 Ų6841.7 Ų41.736%0.36423%0.225SC..EExtended strand (participates in β ladder)trans-61143.5168.2-74.3-58.8000111Q1219 S1245 S1249Q1219-D1232 PolarHBondContact NE2-OD1 3.44Å; D1232-S1245 VanDerWaalsContact O-CB 3.24Å; D1232-S1245 WeakPolarHBondContact O-CB 3.33Å; D1232-S1245 PolarHBondContact O-N 3.03Å; D1232-S1249 VanDerWaalsContact OD2-CB 3.32Å; D1232-S1249 WeakPolarHBondContact OD2-CB 3.33Å
1233C90.7Very high86.2Confident19 Ų1947.7 Ų47.713%0.12826%0.257CS..  trans-152.4164.8-179.861.50000112.6P1218 Q1219 V1244P1218-C1233 VanDerWaalsContact C-SG 3.51Å; P1218-C1233 PolarHBondContact O-N 3.08Å; P1218-C1233 PolarHBondContact O-SG 3.4Å; P1218-C1233 VanDerWaalsContact O-SG 3.36Å; Q1219-C1233 VanDerWaalsContact CA-SG 3.58Å; C1233-V1244 HydrophobicContact CB-CB 4.08Å; C1233-V1244 HydrophobicContact CB-CG1 4.11Å; C1233-V1244 HydrophobicContact CB-CG2 3.82Å
1234S86Confident85.9Confident41 Ų4148 Ų4829%0.28726%0.259SS..EExtended strand (participates in β ladder)trans-91.9170.5159.188.10000110V1242 D1243S1234-V1242 CarbonylContact C-O 3.56Å; S1234-V1242 WeakPolarHBondContact CA-O 3.48Å; S1234-V1242 PolarHBondContact N-O 3.49Å; S1234-V1242 PolarHBondContact O-N 3.43Å; S1234-V1242 VanDerWaalsContact OG-C 3.29Å; S1234-V1242 PolarHBondContact OG-O 2.87Å; S1234-D1243 PolarHBondContact OG-OD2 2.85Å
1235T82Confident85.7Confident61 Ų6149.6 Ų49.637%0.37427%0.27SS..EExtended strand (participates in β ladder)trans-125.7134.1170.152.80000109.3M1203 P1218 K1240M1203-T1235 HydrophobicContact CE-CG2 3.54Å; P1218-T1235 HydrophobicContact CB-CG2 3.81Å; P1218-T1235 HydrophobicContact CG-CG2 4.2Å; T1235-K1240 CarbonylContact C-O 3.38Å; T1235-K1240 VanDerWaalsContact CA-O 3.28Å; T1235-K1240 WeakPolarHBondContact CA-O 3.49Å
1236D83.9Confident85.4Confident48 Ų4850.3 Ų50.326%0.25728%0.277SS..  trans-70.1176.5171.880-7.1000112.3N1238 G1239 K1240 V1242D1236-N1238 PolarHBondContact O-N 3.05Å; D1236-N1238 VanDerWaalsContact OD1-C 3.27Å; D1236-N1238 WeakPolarHBondContact OD1-CA 3.49Å; D1236-N1238 VanDerWaalsContact OD1-CB 3.26Å; D1236-N1238 WeakPolarHBondContact OD1-CB 3.21Å; D1236-N1238 PolarHBondContact OD1-N 3.34Å; D1236-N1238 PolarHBondContact OD2-ND2 2.83Å; D1236-G1239 PolarHBondContact O-N 2.92Å; D1236-G1239 PolarHBondContact OD1-N 3.47Å; D1236-G1239 VanDerWaalsContact OD1-N 3.1Å; D1236-K1240 PolarHBondContact N-O 3.36Å; D1236-K1240 WeakPolarHBondContact OD1-CB 3.29Å; D1236-K1240 PolarHBondContact OD1-N 2.83Å; D1236-V1242 HydrophobicContact CB-CG2 3.78Å
1237K77.1Confident85.3Confident201 Ų20152.6 Ų52.687%0.87429%0.287SS*.THydrogen-bonded Turntrans-58.2-10173.764.1-179.7-179.7177.90115.1
1238N74.3Confident85.4Confident110 Ų11052.3 Ų52.359%0.58829%0.286SS*.THydrogen-bonded Turntrans-106.45.7177.4-44.4-68.3000112D1236 K1240D1236-N1238 PolarHBondContact O-N 3.05Å; D1236-N1238 VanDerWaalsContact OD1-C 3.27Å; D1236-N1238 WeakPolarHBondContact OD1-CA 3.49Å; D1236-N1238 VanDerWaalsContact OD1-CB 3.26Å; D1236-N1238 WeakPolarHBondContact OD1-CB 3.21Å; D1236-N1238 PolarHBondContact OD1-N 3.34Å; D1236-N1238 PolarHBondContact OD2-ND2 2.83Å; N1238-K1240 HydrophobicContact CB-CG 4.4Å; N1238-K1240 PolarHBondContact O-N 2.76Å
1239G71Confident85.2Confident34 Ų3453.7 Ų53.735%0.35130%0.295SS..SBendtrans75.14.9-175.100000114.6D1236D1236-G1239 PolarHBondContact O-N 2.92Å; D1236-G1239 PolarHBondContact OD1-N 3.47Å; D1236-G1239 VanDerWaalsContact OD1-N 3.1Å
1240K77.5Confident85.1Confident133 Ų13354.5 Ų54.558%0.57830%0.3SS*.  trans-75.8146.3-179.9-68-175.8176.2-176.70110.9T1235 D1236 N1238 V1242T1235-K1240 CarbonylContact C-O 3.38Å; T1235-K1240 VanDerWaalsContact CA-O 3.28Å; T1235-K1240 WeakPolarHBondContact CA-O 3.49Å; D1236-K1240 PolarHBondContact N-O 3.36Å; D1236-K1240 WeakPolarHBondContact OD1-CB 3.29Å; D1236-K1240 PolarHBondContact OD1-N 2.83Å; N1238-K1240 HydrophobicContact CB-CG 4.4Å; N1238-K1240 PolarHBondContact O-N 2.76Å; K1240-V1242 PolarHBondContact O-N 2.9Å
1241P81.2Confident85.1Confident43 Ų4354.5 Ų54.528%0.27930%0.3SS..EExtended strand (participates in β ladder)trans-56.6125.1170.218.9-26.8000110.3M1203 Y1220 V1244M1203-P1241 HydrophobicContact CG-CB 4.41Å; M1203-P1241 HydrophobicContact CG-CG 4.21Å; M1203-P1241 HydrophobicContact SD-CB 3.59Å; M1203-P1241 VanDerWaalsContact SD-CB 3.59Å; M1203-P1241 HydrophobicContact SD-CG 4.02Å; Y1220-P1241 HydrophobicContact CD2-CB 3.93Å; Y1220-P1241 HydrophobicContact CD2-CG 3.85Å; Y1220-P1241 HydrophobicContact CE2-CB 4.35Å; Y1220-P1241 HydrophobicContact CE2-CG 3.8Å; P1241-V1244 HydrophobicContact CB-CG2 3.46Å; P1241-V1244 VanDerWaalsContact CB-CG2 3.46Å
1242V83.3Confident85.1Confident57 Ų5754.2 Ų54.235%0.34530%0.299SS..EExtended strand (participates in β ladder)trans-133.8155.7169.21740000107.2S1234 D1236 K1240 V1244S1234-V1242 CarbonylContact C-O 3.56Å; S1234-V1242 WeakPolarHBondContact CA-O 3.48Å; S1234-V1242 PolarHBondContact N-O 3.49Å; S1234-V1242 PolarHBondContact O-N 3.43Å; S1234-V1242 VanDerWaalsContact OG-C 3.29Å; S1234-V1242 PolarHBondContact OG-O 2.87Å; D1236-V1242 HydrophobicContact CB-CG2 3.78Å; K1240-V1242 PolarHBondContact O-N 2.9Å; V1242-V1244 PolarHBondContact O-N 3.46Å
1243D83.3Confident85.1Confident126 Ų12651.2 Ų51.267%0.67428%0.283SS*.SBendtrans47.239.4-175.2-42.8-48.5000113.1S1234 S1245S1234-D1243 PolarHBondContact OG-OD2 2.85Å; D1243-S1245 PolarHBondContact O-N 2.72Å; D1243-S1245 VanDerWaalsContact O-N 3.14Å
1244V87.1Confident85.1Confident7 Ų750.6 Ų50.64%0.04228%0.278CS..  trans-65117.8177.4-170.20000107.7P1137 Q1138 P1139 Y1220 Y1231 C1233 P1241 V1242P1137-V1244 VanDerWaalsContact O-O 3.11Å; Q1138-V1244 HydrophobicContact CB-CB 4.42Å; P1139-V1244 HydrophobicContact CG-CG1 3.62Å; Y1220-V1244 HydrophobicContact CD1-CG1 4.36Å; Y1220-V1244 HydrophobicContact CG-CG1 4.25Å; Y1231-V1244 HydrophobicContact CG-CG1 4.38Å; C1233-V1244 HydrophobicContact CB-CB 4.08Å; C1233-V1244 HydrophobicContact CB-CG1 4.11Å; C1233-V1244 HydrophobicContact CB-CG2 3.82Å; P1241-V1244 HydrophobicContact CB-CG2 3.46Å; P1241-V1244 VanDerWaalsContact CB-CG2 3.46Å; V1242-V1244 PolarHBondContact O-N 3.46Å
1245S86.2Confident85.1Confident32 Ų3250.8 Ų50.822%0.22427%0.273CS..  trans-48.5131.5177.6178.90000109.8Y1231 D1232 D1243 Q1247Y1231-S1245 WeakPolarHBondContact CD1-O 3.48Å; D1232-S1245 VanDerWaalsContact O-CB 3.24Å; D1232-S1245 WeakPolarHBondContact O-CB 3.33Å; D1232-S1245 PolarHBondContact O-N 3.03Å; D1243-S1245 PolarHBondContact O-N 2.72Å; D1243-S1245 VanDerWaalsContact O-N 3.14Å; S1245-Q1247 WeakPolarHBondContact CB-O 3.31Å; S1245-Q1247 PolarHBondContact O-N 3.22Å; S1245-Q1247 PolarHBondContact OG-N 2.77Å; S1245-Q1247 PolarHBondContact OG-O 2.91Å
1246P81.8Confident85.3Confident45 Ų4549 Ų4929%0.29226%0.26SS..SBendtrans-69.2-10.9170.130.7-35.3000111.8F1136 Q1155F1136-P1246 WeakPolarHBondContact O-CB 3.41Å; Q1155-P1246 PolarHBondContact NE2-O 3.18Å
1247Q86Confident85.1Confident60 Ų6051.6 Ų51.628%0.2827%0.271SS..SBendtrans-102.9138.5178.3-43.5-172-3.700111.1L1152 Y1231 S1245L1152-Q1247 HydrophobicContact CD2-CB 3.88Å; L1152-Q1247 HydrophobicContact CD2-CG 3.64Å; Y1231-Q1247 WeakPolarHBondContact CD1-O 3.45Å; S1245-Q1247 WeakPolarHBondContact CB-O 3.31Å; S1245-Q1247 PolarHBondContact O-N 3.22Å; S1245-Q1247 PolarHBondContact OG-N 2.77Å; S1245-Q1247 PolarHBondContact OG-O 2.91Å
1248V92Very high85.5Confident7 Ų743.7 Ų43.74%0.04224%0.238CC..EExtended strand (participates in β ladder)trans-80.6135.6178.3-170.90000109.5F1229 L1230 Y1231 L1250 V1251 P1591 S1592F1229-V1248 HydrophobicContact CB-CG1 4.38Å; F1229-V1248 HydrophobicContact CD1-CG1 4.24Å; F1229-V1248 HydrophobicContact CD1-CG2 3.88Å; L1230-V1248 CarbonylContact O-C 3.48Å; L1230-V1248 WeakPolarHBondContact O-CG1 3.39Å; Y1231-V1248 HydrophobicContact CD1-CB 4.4Å; Y1231-V1248 HydrophobicContact CD1-CG2 3.89Å; Y1231-V1248 HydrophobicContact CE1-CB 4.27Å; Y1231-V1248 HydrophobicContact CE1-CG2 3.3Å; Y1231-V1248 HydrophobicContact CE2-CG2 4.27Å; V1248-L1250 VanDerWaalsContact CG1-O 3.23Å; V1248-L1250 WeakPolarHBondContact CG1-O 3.48Å; V1248-V1251 HydrophobicContact CB-CG2 4.4Å; V1248-V1251 HydrophobicContact CG1-CG2 3.63Å; V1248-P1591 HydrophobicContact CB-CB 4.04Å; V1248-P1591 WeakPolarHBondContact CB-O 3.43Å; V1248-P1591 HydrophobicContact CG2-CB 3.74Å; V1248-P1591 VanDerWaalsContact CG2-O 3.29Å; V1248-P1591 WeakPolarHBondContact CG2-O 3.24Å; V1248-P1591 PolarHBondContact N-O 2.86Å; V1248-S1592 VanDerWaalsContact O-CB 3.22Å; V1248-S1592 WeakPolarHBondContact O-CB 3.49Å; V1248-S1592 PolarHBondContact O-OG 2.78Å
1249S92Very high86.3Confident28 Ų2838.5 Ų38.520%0.19621%0.211CC..EExtended strand (participates in β ladder)trans-86.4-36.417569.80000112.3Q1219 L1230 D1232Q1219-S1249 PolarHBondContact NE2-OG 2.63Å; L1230-S1249 PolarHBondContact O-N 3.4Å; L1230-S1249 PolarHBondContact O-OG 3.11Å; L1230-S1249 VanDerWaalsContact O-OG 3.11Å; D1232-S1249 VanDerWaalsContact OD2-CB 3.32Å; D1232-S1249 WeakPolarHBondContact OD2-CB 3.33Å
1250L93.1Very high87.3Confident19 Ų1938.3 Ų38.310%0.09920%0.204CC..EExtended strand (participates in β ladder)trans-146.8135.2179.7174.961.9000110.7L1230 V1248 I1252 M1300 T1302 C1610 H1611L1230-L1250 HydrophobicContact CB-CB 4.33Å; L1230-L1250 HydrophobicContact CD1-CB 4.38Å; L1230-L1250 HydrophobicContact CD1-CG 4.36Å; L1230-L1250 WeakPolarHBondContact CD1-O 3.38Å; L1230-L1250 HydrophobicContact CD2-CD2 4.33Å; L1230-L1250 PolarHBondContact N-O 3.36Å; L1230-L1250 PolarHBondContact O-N 3.35Å; V1248-L1250 VanDerWaalsContact CG1-O 3.23Å; V1248-L1250 WeakPolarHBondContact CG1-O 3.48Å; L1250-I1252 HydrophobicContact CD1-CG1 4.27Å; L1250-I1252 HydrophobicContact CD2-CD1 3.97Å; L1250-I1252 HydrophobicContact CD2-CG1 3.96Å; L1250-I1252 HydrophobicContact CG-CD1 4.47Å; L1250-I1252 HydrophobicContact CG-CG1 3.92Å; L1250-M1300 HydrophobicContact CD1-CE 4.36Å; L1250-M1300 HydrophobicContact CD2-CE 4.44Å; L1250-T1302 HydrophobicContact CD2-CG2 4.18Å; L1250-C1610 HydrophobicContact CD1-CB 4.01Å; L1250-H1611 HydrophobicContact CD1-CB 4.27Å
1251V94.5Very high88Confident0 Ų032 Ų320%018%0.176CC..EExtended strand (participates in β ladder)trans-115.6131.1166.2-173.90000109.1K1227 L1228 F1229 V1248 P1591 H1611 W1622 T1625K1227-V1251 HydrophobicContact CB-CG1 3.96Å; K1227-V1251 HydrophobicContact CD-CG1 3.96Å; K1227-V1251 HydrophobicContact CG-CG1 4.41Å; L1228-V1251 VanDerWaalsContact O-CA 3.28Å; L1228-V1251 WeakPolarHBondContact O-CA 3.36Å; F1229-V1251 HydrophobicContact CD1-CG2 3.98Å; F1229-V1251 HydrophobicContact CE1-CG1 4.45Å; F1229-V1251 HydrophobicContact CE1-CG2 4.17Å; V1248-V1251 HydrophobicContact CB-CG2 4.4Å; V1248-V1251 HydrophobicContact CG1-CG2 3.63Å; V1251-P1591 HydrophobicContact CG2-CB 4.09Å; V1251-P1591 HydrophobicContact CG2-CG 4.1Å; V1251-H1611 PolarHBondContact N-CE1 3.22Å; V1251-H1611 PolarHBondContact N-ND1 2.86Å; V1251-W1622 HydrophobicContact CB-CH2 4.26Å; V1251-W1622 HydrophobicContact CB-CZ2 4.17Å; V1251-W1622 HydrophobicContact CG1-CH2 3.76Å; V1251-W1622 HydrophobicContact CG1-CZ2 3.65Å; V1251-W1622 HydrophobicContact CG2-CH2 3.8Å; V1251-W1622 HydrophobicContact CG2-CZ2 4.14Å; V1251-T1625 HydrophobicContact CB-CG2 4.15Å; V1251-T1625 HydrophobicContact CG1-CG2 4.33Å
1252I93.9Very high88.5Confident0 Ų030.9 Ų30.90%017%0.169CC..EExtended strand (participates in β ladder)trans-117.9130.7172.8-45.9177.2000108.8K1227 L1228 L1250 F1259 V1283 M1300 T1302K1227-I1252 CarbonylContact C-O 3.5Å; K1227-I1252 WeakPolarHBondContact CA-O 3.43Å; L1228-I1252 HydrophobicContact CB-CB 4.3Å; L1228-I1252 PolarHBondContact N-O 2.89Å; L1228-I1252 PolarHBondContact O-N 2.89Å; L1250-I1252 HydrophobicContact CD1-CG1 4.27Å; L1250-I1252 HydrophobicContact CD2-CD1 3.97Å; L1250-I1252 HydrophobicContact CD2-CG1 3.96Å; L1250-I1252 HydrophobicContact CG-CD1 4.47Å; L1250-I1252 HydrophobicContact CG-CG1 3.92Å; I1252-F1259 HydrophobicContact CG2-CD2 4.06Å; I1252-F1259 HydrophobicContact CG2-CE2 3.82Å; I1252-V1283 HydrophobicContact CD1-CB 4.47Å; I1252-V1283 HydrophobicContact CD1-CG1 4.04Å; I1252-V1283 HydrophobicContact CG2-CG1 4.28Å; I1252-M1300 HydrophobicContact CD1-CE 4.25Å; I1252-M1300 HydrophobicContact CG1-CE 4.27Å; I1252-T1302 HydrophobicContact CD1-CG2 4.16Å
1253D91.2Very high88.6Confident5 Ų528.8 Ų28.83%0.02716%0.157CC..EExtended strand (participates in β ladder)trans-87.4124.6-178.6-142.7-56.5000111.6K1227 R1255 D1256 F1259 T1625K1227-D1253 VanDerWaalsContact CE-OD2 3.3Å; K1227-D1253 WeakPolarHBondContact CE-OD2 3.45Å; D1253-R1255 PolarHBondContact O-N 3.32Å; D1253-R1255 IonicContact OD1-CZ 3.31Å; D1253-R1255 VanDerWaalsContact OD1-CZ 3.27Å; D1253-R1255 PolarHBondContact OD1-N 2.79Å; D1253-R1255 IonicContact OD1-NE 2.63Å; D1253-R1255 PolarHBondContact OD1-NE 3.07Å; D1253-R1255 IonicContact OD1-NH2 2.66Å; D1253-R1255 PolarHBondContact OD1-NH2 3.2Å; D1253-R1255 IonicContact OD2-CZ 2.66Å; D1253-R1255 IonicContact OD2-NE 2.93Å; D1253-R1255 IonicContact OD2-NH2 2.67Å; D1253-R1255 PolarHBondContact OD2-NH2 2.92Å; D1253-D1256 WeakPolarHBondContact O-CB 3.2Å; D1253-F1259 VanDerWaalsContact O-CD2 3.29Å; D1253-F1259 WeakPolarHBondContact O-CD2 3.19Å; D1253-T1625 PolarHBondContact OD2-N 3.21Å; D1253-T1625 PolarHBondContact OD2-OG1 2.84Å
1254M89.4Confident88.7Confident6 Ų623.1 Ų23.13%0.0313%0.127CC..THydrogen-bonded Turntrans-75.4-8.9179.9-56.5-175.969.900113.2I1223 L1226 L1228 D1256 F1259 L1319 L1322 V1323 L1326I1223-M1254 HydrophobicContact CG2-SD 3.79Å; L1226-M1254 VanDerWaalsContact O-CB 3.23Å; L1226-M1254 WeakPolarHBondContact O-CB 3.31Å; L1226-M1254 WeakPolarHBondContact O-CG 3.33Å; L1226-M1254 PolarHBondContact O-N 2.69Å; L1228-M1254 HydrophobicContact CD1-CE 4.4Å; L1228-M1254 HydrophobicContact CD1-CG 3.35Å; L1228-M1254 HydrophobicContact CD1-SD 3.63Å; M1254-D1256 VanDerWaalsContact C-N 3.34Å; M1254-F1259 HydrophobicContact CB-CD1 4.26Å; M1254-F1259 HydrophobicContact CB-CE1 4.19Å; M1254-F1259 HydrophobicContact CB-CE2 4.48Å; M1254-F1259 HydrophobicContact CB-CG 4.46Å; M1254-F1259 HydrophobicContact CB-CZ 4.31Å; M1254-F1259 HydrophobicContact CE-CE1 3.78Å; M1254-F1259 HydrophobicContact CE-CZ 4.17Å; M1254-F1259 HydrophobicContact CG-CE1 4Å; M1254-F1259 HydrophobicContact CG-CE2 4.09Å; M1254-F1259 HydrophobicContact CG-CZ 3.76Å; M1254-L1319 HydrophobicContact CE-CD2 3.58Å; M1254-L1319 HydrophobicContact SD-CD2 4.21Å; M1254-L1322 HydrophobicContact CE-CB 3.6Å; M1254-L1322 HydrophobicContact CE-CD1 4.22Å; M1254-L1322 HydrophobicContact SD-CB 4.48Å; M1254-L1322 HydrophobicContact SD-CD1 4.37Å; M1254-V1323 HydrophobicContact CE-CG2 4.14Å; M1254-L1326 HydrophobicContact CB-CD1 3.68Å; M1254-L1326 VanDerWaalsContact O-CD1 3.32Å; M1254-L1326 WeakPolarHBondContact O-CD1 3.45Å
1255R86.1Confident88.3Confident45 Ų4524.5 Ų24.517%0.1713%0.132CC..THydrogen-bonded Turntrans-90.3-0.1-178.4-59.1168.7-65.8150.98.7113.1L1226 D1253 L1326 V1623L1226-R1255 HydrophobicContact CB-CG 4.39Å; D1253-R1255 PolarHBondContact O-N 3.32Å; D1253-R1255 IonicContact OD1-CZ 3.31Å; D1253-R1255 VanDerWaalsContact OD1-CZ 3.27Å; D1253-R1255 PolarHBondContact OD1-N 2.79Å; D1253-R1255 IonicContact OD1-NE 2.63Å; D1253-R1255 PolarHBondContact OD1-NE 3.07Å; D1253-R1255 IonicContact OD1-NH2 2.66Å; D1253-R1255 PolarHBondContact OD1-NH2 3.2Å; D1253-R1255 IonicContact OD2-CZ 2.66Å; D1253-R1255 IonicContact OD2-NE 2.93Å; D1253-R1255 IonicContact OD2-NH2 2.67Å; D1253-R1255 PolarHBondContact OD2-NH2 2.92Å; R1255-L1326 HydrophobicContact CG-CD2 3.93Å; R1255-V1623 VanDerWaalsContact CZ-O 3.28Å; R1255-V1623 PolarHBondContact NH1-O 2.79Å; R1255-V1623 PolarHBondContact NH2-O 3.27Å
1256D85.6Confident87.7Confident22 Ų2223.7 Ų23.712%0.11813%0.125CC..SBendtrans-65.4139.9168.8-178.6-41.5000109.9D1253 M1254 D1258 F1259 S1286 N1627D1253-D1256 WeakPolarHBondContact O-CB 3.2Å; M1254-D1256 VanDerWaalsContact C-N 3.34Å; D1256-D1258 PolarHBondContact OD1-N 2.85Å; D1256-F1259 HydrophobicContact CB-CB 4.14Å; D1256-F1259 WeakPolarHBondContact O-CB 3.32Å; D1256-F1259 PolarHBondContact O-N 2.61Å; D1256-S1286 VanDerWaalsContact CG-N 3.32Å; D1256-S1286 WeakPolarHBondContact OD1-CB 3.18Å; D1256-S1286 PolarHBondContact OD1-N 3.46Å; D1256-S1286 VanDerWaalsContact OD1-N 3.11Å; D1256-S1286 PolarHBondContact OD1-OG 2.94Å; D1256-S1286 VanDerWaalsContact OD2-CB 3.24Å; D1256-S1286 WeakPolarHBondContact OD2-CB 3.49Å; D1256-S1286 PolarHBondContact OD2-N 2.89Å; D1256-S1286 PolarHBondContact OD2-OG 2.95Å; D1256-N1627 PolarHBondContact OD2-ND2 3.39Å
1257E80.2Confident87.2Confident104 Ų10423.2 Ų23.249%0.48612%0.122SC..THydrogen-bonded Turntrans-64.6-42.1-175-103.3142.8-145.700112.9F1259 Q1333 K1335E1257-F1259 PolarHBondContact O-N 3.37Å; E1257-Q1333 PolarHBondContact OE1-NE2 3.32Å; E1257-Q1333 PolarHBondContact OE1-OE1 2.73Å; E1257-K1335 IonicContact OE1-NZ 3.64Å; E1257-K1335 PolarHBondContact OE1-NZ 2.76Å; E1257-K1335 IonicContact OE2-NZ 2.75Å; E1257-K1335 PolarHBondContact OE2-NZ 3.11Å
1258D85.7Confident86.5Confident34 Ų3423.1 Ų23.118%0.18212%0.124CC..THydrogen-bonded Turntrans-81.41.1178.7-89.1-31.7000112.7D1256 S1260 P1297 K1299D1256-D1258 PolarHBondContact OD1-N 2.85Å; D1258-S1260 PolarHBondContact O-N 2.65Å; D1258-S1260 PolarHBondContact O-OG 2.82Å; D1258-P1297 VanDerWaalsContact OD2-CG 3.27Å; D1258-P1297 WeakPolarHBondContact OD2-CG 3.25Å; D1258-K1299 HydrophobicContact CB-CD 4.15Å; D1258-K1299 IonicContact OD1-NZ 3.05Å; D1258-K1299 PolarHBondContact OD1-NZ 3.49Å; D1258-K1299 VanDerWaalsContact OD2-CD 3.3Å; D1258-K1299 WeakPolarHBondContact OD2-CD 3.31Å; D1258-K1299 WeakPolarHBondContact OD2-CE 3.07Å; D1258-K1299 IonicContact OD2-NZ 2.77Å; D1258-K1299 PolarHBondContact OD2-NZ 3.1Å
1259F91Very high85.8Confident2 Ų223.2 Ų23.21%0.00912%0.124CC..  trans-58.6109.4176.7-167.3-85.8000110.7L1228 I1252 D1253 M1254 D1256 E1257 V1261 V1283 T1284 L1319 V1323L1228-F1259 HydrophobicContact CD1-CE2 4.07Å; L1228-F1259 HydrophobicContact CD1-CZ 3.7Å; L1228-F1259 HydrophobicContact CD2-CZ 4.29Å; I1252-F1259 HydrophobicContact CG2-CD2 4.06Å; I1252-F1259 HydrophobicContact CG2-CE2 3.82Å; D1253-F1259 VanDerWaalsContact O-CD2 3.29Å; D1253-F1259 WeakPolarHBondContact O-CD2 3.19Å; M1254-F1259 HydrophobicContact CB-CD1 4.26Å; M1254-F1259 HydrophobicContact CB-CE1 4.19Å; M1254-F1259 HydrophobicContact CB-CE2 4.48Å; M1254-F1259 HydrophobicContact CB-CG 4.46Å; M1254-F1259 HydrophobicContact CB-CZ 4.31Å; M1254-F1259 HydrophobicContact CE-CE1 3.78Å; M1254-F1259 HydrophobicContact CE-CZ 4.17Å; M1254-F1259 HydrophobicContact CG-CE1 4Å; M1254-F1259 HydrophobicContact CG-CE2 4.09Å; M1254-F1259 HydrophobicContact CG-CZ 3.76Å; D1256-F1259 HydrophobicContact CB-CB 4.14Å; D1256-F1259 WeakPolarHBondContact O-CB 3.32Å; D1256-F1259 PolarHBondContact O-N 2.61Å; E1257-F1259 PolarHBondContact O-N 3.37Å; F1259-V1261 HydrophobicContact CD1-CG2 4.36Å; F1259-V1261 HydrophobicContact CE1-CG2 3.48Å; F1259-V1261 VanDerWaalsContact CE1-CG2 3.48Å; F1259-V1261 HydrophobicContact CZ-CG2 3.79Å; F1259-V1283 HydrophobicContact CD2-CG1 4.13Å; F1259-V1283 HydrophobicContact CE2-CG1 3.37Å; F1259-V1283 HydrophobicContact CZ-CG1 3.68Å; F1259-T1284 VanDerWaalsContact CA-O 3.27Å; F1259-T1284 WeakPolarHBondContact CA-O 3.43Å; F1259-L1319 HydrophobicContact CZ-CD2 4.36Å; F1259-V1323 HydrophobicContact CD1-CG2 3.45Å; F1259-V1323 VanDerWaalsContact CD1-CG2 3.45Å; F1259-V1323 HydrophobicContact CE1-CG2 3.64Å
1260S91.2Very high85Confident30 Ų3026.2 Ų26.221%0.2114%0.137CC..EExtended strand (participates in β ladder)trans-147.4130.7-175.751.70000110.4D1258 T1284D1258-S1260 PolarHBondContact O-N 2.65Å; D1258-S1260 PolarHBondContact O-OG 2.82Å; S1260-T1284 PolarHBondContact N-O 3.43Å; S1260-T1284 PolarHBondContact O-N 3.39Å
1261V92.8Very high84.4Confident0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-109.8108.3-176.2-175.40000109.2K402 F1259 F1281 R1282 V1283 V1316 L1319 N1320K402-V1261 PolarHBondContact NZ-O 2.68Å; F1259-V1261 HydrophobicContact CD1-CG2 4.36Å; F1259-V1261 HydrophobicContact CE1-CG2 3.48Å; F1259-V1261 VanDerWaalsContact CE1-CG2 3.48Å; F1259-V1261 HydrophobicContact CZ-CG2 3.79Å; V1261-F1281 HydrophobicContact CG1-CD2 3.87Å; V1261-F1281 HydrophobicContact CG1-CE2 4.5Å; V1261-R1282 CarbonylContact C-O 3.57Å; V1261-R1282 WeakPolarHBondContact CA-O 3.28Å; V1261-V1283 HydrophobicContact CG1-CG2 4.32Å; V1261-V1283 HydrophobicContact CG2-CG2 4.01Å; V1261-V1316 HydrophobicContact CG1-CG2 4.38Å; V1261-L1319 HydrophobicContact CB-CB 4Å; V1261-L1319 HydrophobicContact CB-CD1 4.47Å; V1261-L1319 HydrophobicContact CG1-CB 3.96Å; V1261-L1319 HydrophobicContact CG1-CD1 3.76Å; V1261-L1319 HydrophobicContact CG1-CG 4.47Å; V1261-L1319 HydrophobicContact CG2-CB 3.76Å; V1261-L1319 HydrophobicContact CG2-CD1 4.1Å; V1261-L1319 HydrophobicContact CG2-CD2 4.41Å; V1261-L1319 HydrophobicContact CG2-CG 4.3Å; V1261-N1320 PolarHBondContact O-ND2 2.81Å; V1261-N1320 PolarHBondContact O-OD1 3.3Å
1262T91.1Very high83.7Confident20 Ų2029.3 Ų29.312%0.12315%0.152CC..EExtended strand (participates in β ladder)trans-111135.5-17565.40000111.2K402 R1282K402-T1262 HydrophobicContact CD-CG2 3.87Å; T1262-R1282 PolarHBondContact N-O 2.93Å; T1262-R1282 PolarHBondContact O-N 2.93Å; T1262-R1282 WeakPolarHBondContact OG1-CB 3.45Å; T1262-R1282 PolarHBondContact OG1-NE 3.4Å; T1262-R1282 PolarHBondContact OG1-NH2 3.03Å
1263S87.2Confident83Confident12 Ų1231.4 Ų31.48%0.08417%0.167CC..EExtended strand (participates in β ladder)trans-48.4140.8151.8-59.80000109.5N405N405-S1263 PolarHBondContact ND2-OG 3.36Å; N405-S1263 VanDerWaalsContact OD1-CB 3.31Å; N405-S1263 WeakPolarHBondContact OD1-CB 3.43Å; N405-S1263 PolarHBondContact OD1-OG 3.5Å
1264V83.7Confident82.3Confident8 Ų831.4 Ų31.45%0.04817%0.166CC..PPolyproline II helixtrans-98.5130.5-176.7156.30000109.7D1268 V1269 V1277 I1280 R1282 L1303V1264-D1268 HydrophobicContact CG1-CB 4.18Å; V1264-V1269 HydrophobicContact CG1-CG2 3.45Å; V1264-V1269 VanDerWaalsContact CG1-CG2 3.45Å; V1264-V1277 HydrophobicContact CG1-CG1 4.02Å; V1264-I1280 HydrophobicContact CB-CG2 4.08Å; V1264-I1280 HydrophobicContact CG1-CB 4.45Å; V1264-I1280 HydrophobicContact CG1-CG2 3.99Å; V1264-I1280 HydrophobicContact CG2-CG2 4.03Å; V1264-R1282 HydrophobicContact CG2-CB 3.37Å; V1264-L1303 HydrophobicContact CG2-CD2 3.98Å
1265K79.6Confident81.7Confident35 Ų3539.1 Ų39.115%0.15220%0.199CC..PPolyproline II helixtrans-77.6155.3166.6-71.2-173176.6-161.60109.1E166 P403 S1267 D1268E166-K1265 PolarHBondContact O-NZ 3.29Å; E166-K1265 IonicContact OE2-NZ 3.71Å; E166-K1265 PolarHBondContact OE2-NZ 2.81Å; P403-K1265 HydrophobicContact CG-CG 3.9Å; K1265-S1267 WeakPolarHBondContact CB-OG 3.29Å; K1265-S1267 PolarHBondContact O-N 2.76Å; K1265-D1268 PolarHBondContact N-OD2 2.76Å; K1265-D1268 WeakPolarHBondContact O-CB 3.5Å; K1265-D1268 PolarHBondContact O-N 2.89Å
1266E73.9Confident81.6Confident15 Ų1539.7 Ų39.77%0.0720%0.204CC..G310 helixtrans-69.4-26.1178.4-66.2145.8-146.500112.5N45 S46 T411 D1268 V1269 I1270 R1274 V1277N45-E1266 HydrophobicContact CB-CB 4.1Å; N45-E1266 CarbonylContact O-C 3.47Å; N45-E1266 VanDerWaalsContact O-CB 3.28Å; N45-E1266 WeakPolarHBondContact O-CB 3.27Å; S46-E1266 VanDerWaalsContact CA-OE2 3.23Å; S46-E1266 WeakPolarHBondContact CA-OE2 3.16Å; S46-E1266 WeakPolarHBondContact CB-OE2 3.41Å; T411-E1266 VanDerWaalsContact CG2-CD 3.46Å; T411-E1266 WeakPolarHBondContact CG2-OE1 3.42Å; T411-E1266 VanDerWaalsContact CG2-OE2 3.24Å; T411-E1266 WeakPolarHBondContact CG2-OE2 3.23Å; E1266-D1268 PolarHBondContact O-N 3.01Å; E1266-D1268 VanDerWaalsContact O-N 3.13Å; E1266-V1269 CarbonylContact O-C 3.6Å; E1266-V1269 PolarHBondContact O-N 2.81Å; E1266-I1270 PolarHBondContact O-N 2.84Å; E1266-R1274 VanDerWaalsContact CD-NE 3.28Å; E1266-R1274 HydrophobicContact CG-CG 4.43Å; E1266-R1274 VanDerWaalsContact OE1-CD 3.25Å; E1266-R1274 WeakPolarHBondContact OE1-CD 3.37Å; E1266-R1274 IonicContact OE1-CZ 2.72Å; E1266-R1274 IonicContact OE1-NE 2.87Å; E1266-R1274 PolarHBondContact OE1-NE 2.78Å; E1266-R1274 IonicContact OE1-NH2 3.61Å; E1266-R1274 WeakPolarHBondContact OE2-CD 3.48Å; E1266-R1274 IonicContact OE2-NE 3.92Å; E1266-R1274 PolarHBondContact OE2-NE 2.96Å; E1266-V1277 HydrophobicContact CB-CG1 4.47Å; E1266-V1277 HydrophobicContact CG-CB 3.81Å; E1266-V1277 HydrophobicContact CG-CG1 3.51Å; E1266-V1277 HydrophobicContact CG-CG2 3.91Å
1267S71.1Confident81.6Confident35 Ų3538.9 Ų38.925%0.24520%0.2CC..G310 helixtrans-47.1-37164.449.20000112.9N45 K1265 V1269N45-S1267 WeakPolarHBondContact OD1-CB 3.46Å; K1265-S1267 WeakPolarHBondContact CB-OG 3.29Å; K1265-S1267 PolarHBondContact O-N 2.76Å; S1267-V1269 VanDerWaalsContact C-N 3.34Å
1268D70.7Confident81.8Confident59 Ų5934.8 Ų34.832%0.31618%0.181SC..G310 helixtrans-83-14.6-173-43.2-8000111.4V1264 K1265 E1266 R1282V1264-D1268 HydrophobicContact CG1-CB 4.18Å; K1265-D1268 PolarHBondContact N-OD2 2.76Å; K1265-D1268 WeakPolarHBondContact O-CB 3.5Å; K1265-D1268 PolarHBondContact O-N 2.89Å; E1266-D1268 PolarHBondContact O-N 3.01Å; E1266-D1268 VanDerWaalsContact O-N 3.13Å; D1268-R1282 IonicContact OD2-CZ 2.67Å; D1268-R1282 IonicContact OD2-NH1 2.92Å; D1268-R1282 PolarHBondContact OD2-NH1 2.8Å; D1268-R1282 IonicContact OD2-NH2 2.8Å; D1268-R1282 PolarHBondContact OD2-NH2 3.13Å
1269V78Confident82.1Confident8 Ų833.7 Ų33.75%0.04818%0.176CC..  trans-143.658.7-174.9-158.20000113.1V1212 V1264 E1266 S1267 H1271 A1272 I1280 L1303V1212-V1269 HydrophobicContact CB-CG1 3.97Å; V1212-V1269 HydrophobicContact CG1-CG1 3.96Å; V1212-V1269 HydrophobicContact CG2-CG1 3.66Å; V1264-V1269 HydrophobicContact CG1-CG2 3.45Å; V1264-V1269 VanDerWaalsContact CG1-CG2 3.45Å; E1266-V1269 CarbonylContact O-C 3.6Å; E1266-V1269 PolarHBondContact O-N 2.81Å; S1267-V1269 VanDerWaalsContact C-N 3.34Å; V1269-H1271 PolarHBondContact O-N 3.4Å; V1269-A1272 HydrophobicContact CB-CB 4.31Å; V1269-A1272 HydrophobicContact CG1-CB 3.75Å; V1269-A1272 PolarHBondContact O-N 2.67Å; V1269-I1280 HydrophobicContact CB-CD1 4.37Å; V1269-I1280 HydrophobicContact CG1-CD1 4.03Å; V1269-I1280 HydrophobicContact CG2-CD1 4.35Å; V1269-I1280 HydrophobicContact CG2-CG2 4.44Å; V1269-L1303 HydrophobicContact CG1-CD1 4.11Å; V1269-L1303 HydrophobicContact CG2-CD1 3.68Å; V1269-L1303 HydrophobicContact CG2-CD2 3.99Å; V1269-L1303 HydrophobicContact CG2-CG 4.48Å
1270I75.7Confident82.1Confident91 Ų9133.6 Ų33.647%0.46718%0.176SC..THydrogen-bonded Turntrans-46.6-16176.860.3169.6000117E1266E1266-I1270 PolarHBondContact O-N 2.84Å
1271H79.4Confident82.2Confident81 Ų8132.2 Ų32.238%0.37517%0.166SC..THydrogen-bonded Turntrans-97.8-22.7-178.9-73.7105.1000114.8K50 V1212 R1213 V1269K50-H1271 PolarHBondContact NZ-O 3.39Å; V1212-H1271 HydrophobicContact CB-CB 4.01Å; V1212-H1271 HydrophobicContact CG1-CB 3.87Å; R1213-H1271 HydrophobicContact CB-CB 4.36Å; R1213-H1271 WeakPolarHBondContact CD-NE2 3.22Å; V1269-H1271 PolarHBondContact O-N 3.4Å
1272A80Confident82.2Confident3 Ų334.7 Ų34.73%0.02518%0.175CC..SBendtrans-65.8163.5-176.500000112.7T47 K50 V1212 W1216 V1269 E1276 V1277 I1280T47-A1272 VanDerWaalsContact CG2-O 3.31Å; T47-A1272 WeakPolarHBondContact CG2-O 3.31Å; K50-A1272 PolarHBondContact NZ-O 2.82Å; V1212-A1272 HydrophobicContact CG1-CB 4.08Å; W1216-A1272 HydrophobicContact CZ2-CB 4.46Å; V1269-A1272 HydrophobicContact CB-CB 4.31Å; V1269-A1272 HydrophobicContact CG1-CB 3.75Å; V1269-A1272 PolarHBondContact O-N 2.67Å; A1272-E1276 WeakPolarHBondContact CA-OE2 3.4Å; A1272-E1276 HydrophobicContact CB-CB 4.11Å; A1272-V1277 HydrophobicContact CB-CG2 3.5Å; A1272-I1280 HydrophobicContact CB-CD1 3.65Å
1273S78.6Confident82.4Confident45 Ų4533.8 Ų33.832%0.31517%0.17SC..  trans-76.4157.5158.1100.60000110T47 K1275 E1276 V1277T47-S1273 VanDerWaalsContact CG2-CA 3.43Å; S1273-K1275 PolarHBondContact OG-N 3.1Å; S1273-E1276 PolarHBondContact N-OE2 3.37Å; S1273-E1276 CarbonylContact O-C 3.54Å; S1273-E1276 WeakPolarHBondContact O-CA 3.49Å; S1273-E1276 WeakPolarHBondContact O-CB 3.45Å; S1273-E1276 PolarHBondContact O-N 2.78Å; S1273-E1276 WeakPolarHBondContact OG-CG 3.12Å; S1273-E1276 PolarHBondContact OG-N 3.09Å; S1273-V1277 PolarHBondContact O-N 3.25Å
1274R77.4Confident82.6Confident5 Ų533.9 Ų33.92%0.01917%0.17CC..Hα-helixtrans-74.3-28.9178.9-169169167.3-123.2-18.1113.2T47 V406 A408 P409 F410 E1266 E1276 V1277 L1278T47-R1274 HydrophobicContact CG2-CB 4.2Å; T47-R1274 WeakPolarHBondContact OG1-CB 3.3Å; V406-R1274 PolarHBondContact O-NH2 3.48Å; A408-R1274 WeakPolarHBondContact O-CB 3.39Å; A408-R1274 WeakPolarHBondContact O-CD 3.13Å; A408-R1274 WeakPolarHBondContact O-CG 3.29Å; A408-R1274 PolarHBondContact O-NE 3.47Å; A408-R1274 PolarHBondContact O-NH1 3.09Å; P409-R1274 WeakPolarHBondContact O-CD 3.14Å; P409-R1274 PolarHBondContact O-NH1 3.4Å; F410-R1274 PolarHBondContact O-NH1 3.09Å; E1266-R1274 VanDerWaalsContact CD-NE 3.28Å; E1266-R1274 HydrophobicContact CG-CG 4.43Å; E1266-R1274 VanDerWaalsContact OE1-CD 3.25Å; E1266-R1274 WeakPolarHBondContact OE1-CD 3.37Å; E1266-R1274 IonicContact OE1-CZ 2.72Å; E1266-R1274 IonicContact OE1-NE 2.87Å; E1266-R1274 PolarHBondContact OE1-NE 2.78Å; E1266-R1274 IonicContact OE1-NH2 3.61Å; E1266-R1274 WeakPolarHBondContact OE2-CD 3.48Å; E1266-R1274 IonicContact OE2-NE 3.92Å; E1266-R1274 PolarHBondContact OE2-NE 2.96Å; R1274-E1276 PolarHBondContact O-N 2.93Å; R1274-V1277 PolarHBondContact O-N 3.27Å; R1274-L1278 PolarHBondContact O-N 2.7Å
1275K77.6Confident82.9Confident167 Ų16733.5 Ų33.573%0.72617%0.167SC*.Hα-helixtrans-60.4-25.2163.7-69.9-172.5176.6-175.50112.6S1273 L1278 C1279S1273-K1275 PolarHBondContact OG-N 3.1Å; K1275-L1278 WeakPolarHBondContact O-CB 3.43Å; K1275-C1279 PolarHBondContact O-SG 2.94Å; K1275-C1279 VanDerWaalsContact O-SG 3.33Å
1276E84.1Confident83.2Confident57 Ų5732 Ų3227%0.26616%0.162SC..Hα-helixtrans-78.8-51.3170.1-71.1179.2162.700111.2W1216 A1272 S1273 R1274 L1278 C1279 I1280 M1305W1216-E1276 VanDerWaalsContact CD1-OE1 3.24Å; W1216-E1276 PolarHBondContact NE1-OE1 3.36Å; W1216-E1276 PolarHBondContact NE1-OE2 3.48Å; A1272-E1276 WeakPolarHBondContact CA-OE2 3.4Å; A1272-E1276 HydrophobicContact CB-CB 4.11Å; S1273-E1276 PolarHBondContact N-OE2 3.37Å; S1273-E1276 CarbonylContact O-C 3.54Å; S1273-E1276 WeakPolarHBondContact O-CA 3.49Å; S1273-E1276 WeakPolarHBondContact O-CB 3.45Å; S1273-E1276 PolarHBondContact O-N 2.78Å; S1273-E1276 WeakPolarHBondContact OG-CG 3.12Å; S1273-E1276 PolarHBondContact OG-N 3.09Å; R1274-E1276 PolarHBondContact O-N 2.93Å; E1276-L1278 PolarHBondContact O-N 2.84Å; E1276-L1278 VanDerWaalsContact O-N 3.13Å; E1276-C1279 CarbonylContact O-C 3.4Å; E1276-C1279 WeakPolarHBondContact O-CA 3.49Å; E1276-C1279 WeakPolarHBondContact O-CB 3.33Å; E1276-C1279 PolarHBondContact O-N 2.93Å; E1276-I1280 HydrophobicContact CB-CD1 4.46Å; E1276-I1280 WeakPolarHBondContact O-CG1 3.33Å; E1276-I1280 PolarHBondContact O-N 3.49Å; E1276-M1305 HydrophobicContact CB-CE 4.42Å; E1276-M1305 HydrophobicContact CB-SD 3.31Å; E1276-M1305 WeakPolarHBondContact CB-SD 3.49Å; E1276-M1305 HydrophobicContact CG-CE 3.9Å; E1276-M1305 HydrophobicContact CG-SD 3.45Å; E1276-M1305 WeakPolarHBondContact CG-SD 3.21Å
1277V84.7Confident83.9Confident6 Ų632.2 Ų32.24%0.03616%0.162CC..Hα-helixtrans-56.9-33.7-179.5-174.90000113V1264 E1266 A1272 S1273 R1274 C1279 I1280 K1312V1264-V1277 HydrophobicContact CG1-CG1 4.02Å; E1266-V1277 HydrophobicContact CB-CG1 4.47Å; E1266-V1277 HydrophobicContact CG-CB 3.81Å; E1266-V1277 HydrophobicContact CG-CG1 3.51Å; E1266-V1277 HydrophobicContact CG-CG2 3.91Å; A1272-V1277 HydrophobicContact CB-CG2 3.5Å; S1273-V1277 PolarHBondContact O-N 3.25Å; R1274-V1277 PolarHBondContact O-N 3.27Å; V1277-C1279 PolarHBondContact O-N 3.41Å; V1277-C1279 VanDerWaalsContact O-N 3.15Å; V1277-I1280 HydrophobicContact CB-CD1 4.44Å; V1277-I1280 HydrophobicContact CG2-CD1 4.1Å; V1277-I1280 PolarHBondContact O-N 3.44Å; V1277-K1312 PolarHBondContact O-NZ 3.48Å
1278L85.2Confident84.6Confident17 Ų1730.6 Ų30.69%0.08915%0.151CC..THydrogen-bonded Turntrans-42.8-43.5164.9-104.5-171.8000115.1V406 S407 R1274 K1275 E1276 Q1309 K1312V406-L1278 VanDerWaalsContact C-CD2 3.47Å; V406-L1278 VanDerWaalsContact O-CD2 3.22Å; V406-L1278 WeakPolarHBondContact O-CD2 3.5Å; S407-L1278 VanDerWaalsContact CA-CD2 3.45Å; S407-L1278 VanDerWaalsContact CB-CD1 3.45Å; R1274-L1278 PolarHBondContact O-N 2.7Å; K1275-L1278 WeakPolarHBondContact O-CB 3.43Å; E1276-L1278 PolarHBondContact O-N 2.84Å; E1276-L1278 VanDerWaalsContact O-N 3.13Å; L1278-Q1309 HydrophobicContact CD1-CB 4.35Å; L1278-Q1309 HydrophobicContact CD2-CB 3.91Å; L1278-Q1309 HydrophobicContact CD2-CG 3.62Å; L1278-K1312 WeakPolarHBondContact O-CD 3.37Å; L1278-K1312 WeakPolarHBondContact O-CE 3.41Å; L1278-K1312 PolarHBondContact O-NZ 2.9Å
1279C90.4Very high85.2Confident12 Ų1229.1 Ų29.18%0.08114%0.142CC..THydrogen-bonded Turntrans-101.3-16.3-173.2-48.40000111.5K1275 E1276 V1277 M1305 A1306 S1308 Q1309K1275-C1279 PolarHBondContact O-SG 2.94Å; K1275-C1279 VanDerWaalsContact O-SG 3.33Å; E1276-C1279 CarbonylContact O-C 3.4Å; E1276-C1279 WeakPolarHBondContact O-CA 3.49Å; E1276-C1279 WeakPolarHBondContact O-CB 3.33Å; E1276-C1279 PolarHBondContact O-N 2.93Å; V1277-C1279 PolarHBondContact O-N 3.41Å; V1277-C1279 VanDerWaalsContact O-N 3.15Å; C1279-M1305 HydrophobicContact CB-CG 3.84Å; C1279-M1305 WeakPolarHBondContact O-CA 3.45Å; C1279-A1306 HydrophobicContact CB-CB 4.45Å; C1279-A1306 WeakPolarHBondContact CB-O 3.35Å; C1279-A1306 PolarHBondContact O-N 2.86Å; C1279-S1308 VanDerWaalsContact SG-CA 3.59Å; C1279-Q1309 PolarHBondContact SG-N 3.14Å; C1279-Q1309 VanDerWaalsContact SG-N 3.43Å
1280I92.2Very high85.3Confident0 Ų033.3 Ų33.30%016%0.161CC..EExtended strand (participates in β ladder)trans-72.5123.8172.3-57.8165.5000110.9W1216 V1264 V1269 A1272 E1276 V1277 L1303 L1304 M1305 K1312W1216-I1280 HydrophobicContact CH2-CD1 3.48Å; W1216-I1280 VanDerWaalsContact CH2-CD1 3.48Å; W1216-I1280 HydrophobicContact CH2-CG1 3.6Å; W1216-I1280 HydrophobicContact CH2-CG2 4.39Å; W1216-I1280 HydrophobicContact CZ2-CD1 3.28Å; W1216-I1280 HydrophobicContact CZ2-CG1 3.76Å; W1216-I1280 HydrophobicContact CZ3-CG1 4.47Å; V1264-I1280 HydrophobicContact CB-CG2 4.08Å; V1264-I1280 HydrophobicContact CG1-CB 4.45Å; V1264-I1280 HydrophobicContact CG1-CG2 3.99Å; V1264-I1280 HydrophobicContact CG2-CG2 4.03Å; V1269-I1280 HydrophobicContact CB-CD1 4.37Å; V1269-I1280 HydrophobicContact CG1-CD1 4.03Å; V1269-I1280 HydrophobicContact CG2-CD1 4.35Å; V1269-I1280 HydrophobicContact CG2-CG2 4.44Å; A1272-I1280 HydrophobicContact CB-CD1 3.65Å; E1276-I1280 HydrophobicContact CB-CD1 4.46Å; E1276-I1280 WeakPolarHBondContact O-CG1 3.33Å; E1276-I1280 PolarHBondContact O-N 3.49Å; V1277-I1280 HydrophobicContact CB-CD1 4.44Å; V1277-I1280 HydrophobicContact CG2-CD1 4.1Å; V1277-I1280 PolarHBondContact O-N 3.44Å; I1280-L1303 HydrophobicContact CG2-CB 4.14Å; I1280-L1303 HydrophobicContact CG2-CD2 4.13Å; I1280-L1304 CarbonylContact C-O 3.53Å; I1280-L1304 VanDerWaalsContact CA-O 3.28Å; I1280-L1304 WeakPolarHBondContact CA-O 3.17Å; I1280-M1305 HydrophobicContact CG1-CB 3.88Å; I1280-M1305 HydrophobicContact CG1-CG 3.86Å; I1280-M1305 HydrophobicContact CG1-SD 3.98Å; I1280-K1312 WeakPolarHBondContact O-CE 3.4Å; I1280-K1312 PolarHBondContact O-NZ 3.19Å
1281F93.5Very high85.2Confident0 Ų030.2 Ų30.20%015%0.147CC..EExtended strand (participates in β ladder)trans-116160.5159.957.6-73.6000109.8V1204 L1221 V1261 V1283 L1304 A1306 K1312 W1315 V1316 L1319V1204-F1281 HydrophobicContact CG1-CE1 4.28Å; V1204-F1281 HydrophobicContact CG1-CZ 4.23Å; L1221-F1281 HydrophobicContact CD2-CZ 4.28Å; V1261-F1281 HydrophobicContact CG1-CD2 3.87Å; V1261-F1281 HydrophobicContact CG1-CE2 4.5Å; F1281-V1283 HydrophobicContact CD2-CG2 4.36Å; F1281-V1283 HydrophobicContact CE2-CG2 4.29Å; F1281-L1304 HydrophobicContact CD1-CB 4.13Å; F1281-L1304 WeakPolarHBondContact CD1-O 3.44Å; F1281-L1304 HydrophobicContact CD2-CB 4.19Å; F1281-L1304 HydrophobicContact CD2-CD1 4.31Å; F1281-L1304 HydrophobicContact CE1-CB 3.74Å; F1281-L1304 WeakPolarHBondContact CE1-O 3.29Å; F1281-L1304 HydrophobicContact CE2-CB 3.83Å; F1281-L1304 HydrophobicContact CE2-CD1 3.56Å; F1281-L1304 HydrophobicContact CE2-CG 4.27Å; F1281-L1304 HydrophobicContact CG-CB 4.34Å; F1281-L1304 HydrophobicContact CZ-CB 3.59Å; F1281-L1304 HydrophobicContact CZ-CD1 3.84Å; F1281-L1304 HydrophobicContact CZ-CG 4.36Å; F1281-L1304 PolarHBondContact N-O 2.94Å; F1281-L1304 PolarHBondContact O-N 2.92Å; F1281-A1306 HydrophobicContact CE1-CB 4.4Å; F1281-K1312 HydrophobicContact CB-CG 4.08Å; F1281-K1312 HydrophobicContact CD1-CB 4.38Å; F1281-K1312 HydrophobicContact CD1-CG 3.88Å; F1281-K1312 HydrophobicContact CG-CG 4.33Å; F1281-W1315 HydrophobicContact CD1-CB 4.39Å; F1281-W1315 HydrophobicContact CE1-CB 3.76Å; F1281-W1315 AromaticContact CE1-CD1 3.83Å; F1281-W1315 AromaticContact CE1-CG 3.8Å; F1281-W1315 HydrophobicContact CE1-CG 3.8Å; F1281-W1315 HydrophobicContact CE2-CB 4.01Å; F1281-W1315 HydrophobicContact CE2-CG 4.44Å; F1281-W1315 HydrophobicContact CZ-CB 3.54Å; F1281-W1315 AromaticContact CZ-CD2 3.98Å; F1281-W1315 HydrophobicContact CZ-CD2 3.98Å; F1281-W1315 HydrophobicContact CZ-CE3 4.44Å; F1281-W1315 AromaticContact CZ-CG 3.57Å; F1281-W1315 HydrophobicContact CZ-CG 3.57Å; F1281-V1316 HydrophobicContact CB-CG2 3.55Å; F1281-V1316 HydrophobicContact CD2-CG2 4.22Å; F1281-V1316 HydrophobicContact CG-CG2 3.92Å; F1281-L1319 HydrophobicContact CD2-CD1 4.27Å; F1281-L1319 HydrophobicContact CE2-CD1 3.62Å; F1281-L1319 HydrophobicContact CZ-CD1 4.5Å
1282R92.9Very high84.4Confident53 Ų5327 Ų2720%0.213%0.133CC..EExtended strand (participates in β ladder)trans-110.3131.5176.7160.8174.765.4-135.2-13.3108.6V1261 T1262 V1264 D1268 T1284 V1301 T1302 L1303V1261-R1282 CarbonylContact C-O 3.57Å; V1261-R1282 WeakPolarHBondContact CA-O 3.28Å; T1262-R1282 PolarHBondContact N-O 2.93Å; T1262-R1282 PolarHBondContact O-N 2.93Å; T1262-R1282 WeakPolarHBondContact OG1-CB 3.45Å; T1262-R1282 PolarHBondContact OG1-NE 3.4Å; T1262-R1282 PolarHBondContact OG1-NH2 3.03Å; V1264-R1282 HydrophobicContact CG2-CB 3.37Å; D1268-R1282 IonicContact OD2-CZ 2.67Å; D1268-R1282 IonicContact OD2-NH1 2.92Å; D1268-R1282 PolarHBondContact OD2-NH1 2.8Å; D1268-R1282 IonicContact OD2-NH2 2.8Å; D1268-R1282 PolarHBondContact OD2-NH2 3.13Å; R1282-T1284 WeakPolarHBondContact CD-OG1 3.49Å; R1282-T1284 WeakPolarHBondContact CG-OG1 3.4Å; R1282-V1301 VanDerWaalsContact CD-CG1 3.47Å; R1282-V1301 HydrophobicContact CG-CG1 3.93Å; R1282-T1302 WeakPolarHBondContact CA-O 3.45Å; R1282-L1303 HydrophobicContact CB-CD2 4.13Å
1283V93.6Very high83.2Confident0 Ų032.3 Ų32.30%015%0.153CC..EExtended strand (participates in β ladder)trans-102.7117.2161177.40000106.6L1228 I1252 F1259 V1261 F1281 T1302 L1304L1228-V1283 HydrophobicContact CD2-CG1 4.27Å; L1228-V1283 HydrophobicContact CD2-CG2 3.85Å; I1252-V1283 HydrophobicContact CD1-CB 4.47Å; I1252-V1283 HydrophobicContact CD1-CG1 4.04Å; I1252-V1283 HydrophobicContact CG2-CG1 4.28Å; F1259-V1283 HydrophobicContact CD2-CG1 4.13Å; F1259-V1283 HydrophobicContact CE2-CG1 3.37Å; F1259-V1283 HydrophobicContact CZ-CG1 3.68Å; V1261-V1283 HydrophobicContact CG1-CG2 4.32Å; V1261-V1283 HydrophobicContact CG2-CG2 4.01Å; F1281-V1283 HydrophobicContact CD2-CG2 4.36Å; F1281-V1283 HydrophobicContact CE2-CG2 4.29Å; V1283-T1302 PolarHBondContact N-O 2.96Å; V1283-T1302 PolarHBondContact O-N 3.34Å; V1283-L1304 HydrophobicContact CB-CD1 4.43Å; V1283-L1304 HydrophobicContact CG2-CD1 3.57Å; V1283-L1304 HydrophobicContact CG2-CG 4.47Å
1284T91.9Very high81.9Confident14 Ų1436 Ų369%0.08617%0.169CC..EExtended strand (participates in β ladder)trans-99.5143.7170.8-55.80000108.5F1259 S1260 R1282 K1299 M1300 V1301F1259-T1284 VanDerWaalsContact CA-O 3.27Å; F1259-T1284 WeakPolarHBondContact CA-O 3.43Å; S1260-T1284 PolarHBondContact N-O 3.43Å; S1260-T1284 PolarHBondContact O-N 3.39Å; R1282-T1284 WeakPolarHBondContact CD-OG1 3.49Å; R1282-T1284 WeakPolarHBondContact CG-OG1 3.4Å; T1284-K1299 HydrophobicContact CG2-CB 3.6Å; T1284-K1299 HydrophobicContact CG2-CD 4.01Å; T1284-K1299 HydrophobicContact CG2-CG 4.38Å; T1284-M1300 WeakPolarHBondContact CA-O 2.98Å; T1284-V1301 HydrophobicContact CG2-CG2 4.45Å
1285S90.1Very high80.6Confident0 Ų040.2 Ų40.20%021%0.214CC..EExtended strand (participates in β ladder)trans-154.6168.1174.459.50000110.9K1299 M1300 N1627S1285-K1299 CarbonylContact O-C 3.6Å; S1285-K1299 VanDerWaalsContact O-CA 3.25Å; S1285-K1299 WeakPolarHBondContact O-CA 3.25Å; S1285-K1299 WeakPolarHBondContact O-CB 3.03Å; S1285-M1300 PolarHBondContact N-O 3.2Å; S1285-M1300 PolarHBondContact O-N 3.04Å; S1285-N1627 WeakPolarHBondContact CB-ND2 3.47Å; S1285-N1627 PolarHBondContact OG-ND2 2.76Å
1286S87Confident79.9Confident4 Ų439.5 Ų39.53%0.02821%0.213CC..EExtended strand (participates in β ladder)trans-66.4137.4-179.9-55.30000112D1256 N1627D1256-S1286 VanDerWaalsContact CG-N 3.32Å; D1256-S1286 WeakPolarHBondContact OD1-CB 3.18Å; D1256-S1286 PolarHBondContact OD1-N 3.46Å; D1256-S1286 VanDerWaalsContact OD1-N 3.11Å; D1256-S1286 PolarHBondContact OD1-OG 2.94Å; D1256-S1286 VanDerWaalsContact OD2-CB 3.24Å; D1256-S1286 WeakPolarHBondContact OD2-CB 3.49Å; D1256-S1286 PolarHBondContact OD2-N 2.89Å; D1256-S1286 PolarHBondContact OD2-OG 2.95Å; S1286-N1627 WeakPolarHBondContact O-CB 3.48Å; S1286-N1627 PolarHBondContact O-ND2 3.03Å
1287Q87.6Confident79.4Confident19 Ų1938.8 Ų38.89%0.08921%0.213CC..EExtended strand (participates in β ladder)trans-113.7-53.2168.7-170.6167.715.200111.1C1298 M1300 L1628 C1644 V1645Q1287-C1298 WeakPolarHBondContact CA-O 3.42Å; Q1287-C1298 VanDerWaalsContact CB-O 3.31Å; Q1287-C1298 WeakPolarHBondContact CB-O 3.31Å; Q1287-C1298 PolarHBondContact N-O 3.27Å; Q1287-M1300 HydrophobicContact CB-CB 4.14Å; Q1287-L1628 HydrophobicContact CG-CD2 4.44Å; Q1287-L1628 VanDerWaalsContact O-CD2 3.27Å; Q1287-L1628 WeakPolarHBondContact O-CD2 3.49Å; Q1287-C1644 PolarHBondContact NE2-O 3.38Å; Q1287-V1645 HydrophobicContact CG-CG1 4.41Å; Q1287-V1645 HydrophobicContact CG-CG2 4.14Å
1288I86.7Confident79.2Confident1 Ų140.3 Ų40.31%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-120.8126164-52.1-174.5000106.9Q1290 P1297 C1298 V1339 E1341 V1645 V1652I1288-Q1290 WeakPolarHBondContact CG2-O 3.43Å; I1288-P1297 CarbonylContact O-C 3.58Å; I1288-P1297 WeakPolarHBondContact O-CA 3.45Å; I1288-C1298 HydrophobicContact CB-CB 4.02Å; I1288-C1298 HydrophobicContact CG1-CB 4.39Å; I1288-C1298 PolarHBondContact N-O 3.3Å; I1288-C1298 PolarHBondContact O-N 2.9Å; I1288-V1339 HydrophobicContact CG1-CG1 4.43Å; I1288-V1339 HydrophobicContact CG2-CG1 4.34Å; I1288-V1339 WeakPolarHBondContact CG2-O 3.25Å; I1288-E1341 HydrophobicContact CD1-CB 4.05Å; I1288-E1341 HydrophobicContact CD1-CG 4.28Å; I1288-E1341 HydrophobicContact CG2-CB 4.12Å; I1288-V1645 HydrophobicContact CD1-CB 4.49Å; I1288-V1645 HydrophobicContact CD1-CG1 4.21Å; I1288-V1645 HydrophobicContact CD1-CG2 4.01Å; I1288-V1645 HydrophobicContact CG1-CG1 4.41Å; I1288-V1645 HydrophobicContact CG1-CG2 4.14Å; I1288-V1652 HydrophobicContact CD1-CG1 3.99Å; I1288-V1652 HydrophobicContact CG1-CG1 4.34Å
1289H83.6Confident79.3Confident28 Ų2843.5 Ų43.513%0.1324%0.237CC..SBendtrans-78.2-30.7-178.6-62.267.9000111.5I1338 V1339H1289-I1338 HydrophobicContact CB-CG2 3.81Å; H1289-V1339 WeakPolarHBondContact CB-O 3.41Å; H1289-V1339 PolarHBondContact N-O 3.22Å; H1289-V1339 PolarHBondContact ND1-N 2.99Å
1290Q78.8Confident79.1Confident97 Ų9744.2 Ų44.245%0.45324%0.239SC..BIsolated β-bridgetrans-139.397.6178.6-66.6173.9-42.500109.7I1288 V1339 R1340 E1341I1288-Q1290 WeakPolarHBondContact CG2-O 3.43Å; Q1290-V1339 PolarHBondContact N-O 3.32Å; Q1290-R1340 HydrophobicContact CB-CB 4.44Å; Q1290-R1340 HydrophobicContact CB-CG 4.17Å; Q1290-R1340 WeakPolarHBondContact O-CA 3.49Å; Q1290-E1341 PolarHBondContact O-N 3.45Å
1291P73.3Confident78.9Confident25 Ų2548 Ų4816%0.16226%0.262CS..  trans-81163173.94.313000112L1294 E1296 C1298 E1341P1291-L1294 WeakPolarHBondContact CD-O 3.09Å; P1291-L1294 HydrophobicContact CG-CB 4.38Å; P1291-E1296 VanDerWaalsContact CG-O 3.22Å; P1291-E1296 WeakPolarHBondContact CG-O 3.48Å; P1291-C1298 HydrophobicContact CG-CB 4.39Å; P1291-E1341 WeakPolarHBondContact CA-OE2 3.47Å; P1291-E1341 WeakPolarHBondContact CB-OE2 3.33Å
1292V62.7Low78.8Confident15 Ų1548.8 Ų48.89%0.09127%0.267CS..SBendtrans-77.2-39.3-178.6-179.30000112.5E1341 P1667V1292-E1341 HydrophobicContact CG2-CB 3.91Å; V1292-E1341 HydrophobicContact CG2-CG 3.91Å; V1292-E1341 WeakPolarHBondContact CG2-O 3.38Å; V1292-E1341 PolarHBondContact N-OE2 2.9Å; V1292-P1667 HydrophobicContact CB-CG 4.5Å; V1292-P1667 HydrophobicContact CG1-CB 4.47Å; V1292-P1667 HydrophobicContact CG1-CG 3.89Å; V1292-P1667 HydrophobicContact CG2-CG 3.77Å
1293Y55.4Low78.7Confident114 Ų11447.4 Ų47.445%0.44726%0.264SS..SBendtrans-104.8-1.2-167.6-57.9-73.6000114.9Q1381Y1293-Q1381 PolarHBondContact OH-NE2 3.46Å; Y1293-Q1381 PolarHBondContact OH-OE1 3.13Å
1294L50.4Low78.7Confident122 Ų12247.4 Ų47.464%0.63926%0.264SS*.  trans-139.3127.3-175.9-66.8172.2000109.1P1291 E1296P1291-L1294 WeakPolarHBondContact CD-O 3.09Å; P1291-L1294 HydrophobicContact CG-CB 4.38Å; L1294-E1296 PolarHBondContact O-N 3.3Å
1295G51.5Low78.8Confident93 Ų9347.3 Ų47.396%0.95926%0.262SS*.SBendtrans-72.61176.400000114.8
1296E61.9Low78.9Confident153 Ų15347.4 Ų47.472%0.71526%0.263SS*.SBendtrans-107.8137.5175.8-63.3-170.5159.100110.5P1291 L1294 C1298P1291-E1296 VanDerWaalsContact CG-O 3.22Å; P1291-E1296 WeakPolarHBondContact CG-O 3.48Å; L1294-E1296 PolarHBondContact O-N 3.3Å; E1296-C1298 PolarHBondContact O-N 3.16Å
1297P73.7Confident78.8Confident41 Ų4151 Ų5127%0.26628%0.282SS..  trans-57136.7174.317.6-27.6000111.9D1258 I1288 K1299D1258-P1297 VanDerWaalsContact OD2-CG 3.27Å; D1258-P1297 WeakPolarHBondContact OD2-CG 3.25Å; I1288-P1297 CarbonylContact O-C 3.58Å; I1288-P1297 WeakPolarHBondContact O-CA 3.45Å; P1297-K1299 WeakPolarHBondContact O-CE 3.4Å; P1297-K1299 WeakPolarHBondContact O-CG 3.28Å; P1297-K1299 PolarHBondContact O-N 3.39Å
1298C81.6Confident78.7Confident39 Ų3952.2 Ų52.226%0.26429%0.293SS..EExtended strand (participates in β ladder)trans-76.7121175.1-172.80000109.2Q1287 I1288 P1291 E1296 V1645Q1287-C1298 WeakPolarHBondContact CA-O 3.42Å; Q1287-C1298 VanDerWaalsContact CB-O 3.31Å; Q1287-C1298 WeakPolarHBondContact CB-O 3.31Å; Q1287-C1298 PolarHBondContact N-O 3.27Å; I1288-C1298 HydrophobicContact CB-CB 4.02Å; I1288-C1298 HydrophobicContact CG1-CB 4.39Å; I1288-C1298 PolarHBondContact N-O 3.3Å; I1288-C1298 PolarHBondContact O-N 2.9Å; P1291-C1298 HydrophobicContact CG-CB 4.39Å; E1296-C1298 PolarHBondContact O-N 3.16Å; C1298-V1645 VanDerWaalsContact SG-CG1 3.51Å
1299K86.1Confident78.7Confident84 Ų8454.6 Ų54.637%0.36530%0.304SS..EExtended strand (participates in β ladder)trans-109129.7-169.3-40.4-167.9-172.7-153.90111.4D1258 T1284 S1285 P1297D1258-K1299 HydrophobicContact CB-CD 4.15Å; D1258-K1299 IonicContact OD1-NZ 3.05Å; D1258-K1299 PolarHBondContact OD1-NZ 3.49Å; D1258-K1299 VanDerWaalsContact OD2-CD 3.3Å; D1258-K1299 WeakPolarHBondContact OD2-CD 3.31Å; D1258-K1299 WeakPolarHBondContact OD2-CE 3.07Å; D1258-K1299 IonicContact OD2-NZ 2.77Å; D1258-K1299 PolarHBondContact OD2-NZ 3.1Å; T1284-K1299 HydrophobicContact CG2-CB 3.6Å; T1284-K1299 HydrophobicContact CG2-CD 4.01Å; T1284-K1299 HydrophobicContact CG2-CG 4.38Å; S1285-K1299 CarbonylContact O-C 3.6Å; S1285-K1299 VanDerWaalsContact O-CA 3.25Å; S1285-K1299 WeakPolarHBondContact O-CA 3.25Å; S1285-K1299 WeakPolarHBondContact O-CB 3.03Å; P1297-K1299 WeakPolarHBondContact O-CE 3.4Å; P1297-K1299 WeakPolarHBondContact O-CG 3.28Å; P1297-K1299 PolarHBondContact O-N 3.39Å
1300M86.7Confident78.8Confident26 Ų2657.5 Ų57.513%0.12832%0.32CS..EExtended strand (participates in β ladder)trans-72132.1169.7-175.2174.673.300109.1L1250 I1252 T1284 S1285 Q1287 N1627L1250-M1300 HydrophobicContact CD1-CE 4.36Å; L1250-M1300 HydrophobicContact CD2-CE 4.44Å; I1252-M1300 HydrophobicContact CD1-CE 4.25Å; I1252-M1300 HydrophobicContact CG1-CE 4.27Å; T1284-M1300 WeakPolarHBondContact CA-O 2.98Å; S1285-M1300 PolarHBondContact N-O 3.2Å; S1285-M1300 PolarHBondContact O-N 3.04Å; Q1287-M1300 HydrophobicContact CB-CB 4.14Å; M1300-N1627 HydrophobicContact CB-CB 4.28Å; M1300-N1627 HydrophobicContact CE-CB 3.59Å; M1300-N1627 WeakPolarHBondContact CE-OD1 3.36Å; M1300-N1627 HydrophobicContact SD-CB 3.89Å
1301V88.2Confident79.3Confident80 Ų8055.6 Ų55.649%0.48531%0.311SS..EExtended strand (participates in β ladder)trans-112.6108.6176.9165.40000109.3R1282 T1284 L1303R1282-V1301 VanDerWaalsContact CD-CG1 3.47Å; R1282-V1301 HydrophobicContact CG-CG1 3.93Å; T1284-V1301 HydrophobicContact CG2-CG2 4.45Å; V1301-L1303 HydrophobicContact CG1-CD2 4.36Å
1302T90.2Very high80.1Confident16 Ų1654.5 Ų54.510%0.09830%0.304CS..EExtended strand (participates in β ladder)trans-100.9118.8175-52.40000109.6L1250 I1252 R1282 V1283 L1304L1250-T1302 HydrophobicContact CD2-CG2 4.18Å; I1252-T1302 HydrophobicContact CD1-CG2 4.16Å; R1282-T1302 WeakPolarHBondContact CA-O 3.45Å; V1283-T1302 PolarHBondContact N-O 2.96Å; V1283-T1302 PolarHBondContact O-N 3.34Å; T1302-L1304 HydrophobicContact CG2-CD2 3.65Å; T1302-L1304 HydrophobicContact CG2-CG 4.17Å
1303L91.7Very high81.4Confident25 Ų2557.5 Ų57.513%0.13132%0.317CS..EExtended strand (participates in β ladder)trans-89.2128.7172.8-59.4174.8000109.4P1207 V1212 W1216 V1264 V1269 I1280 R1282 V1301P1207-L1303 VanDerWaalsContact CD-O 3.3Å; P1207-L1303 WeakPolarHBondContact CD-O 3.48Å; P1207-L1303 HydrophobicContact CG-CB 3.87Å; P1207-L1303 HydrophobicContact CG-CD1 4.22Å; V1212-L1303 HydrophobicContact CG2-CD1 4.08Å; W1216-L1303 HydrophobicContact CH2-CB 4.35Å; V1264-L1303 HydrophobicContact CG2-CD2 3.98Å; V1269-L1303 HydrophobicContact CG1-CD1 4.11Å; V1269-L1303 HydrophobicContact CG2-CD1 3.68Å; V1269-L1303 HydrophobicContact CG2-CD2 3.99Å; V1269-L1303 HydrophobicContact CG2-CG 4.48Å; I1280-L1303 HydrophobicContact CG2-CB 4.14Å; I1280-L1303 HydrophobicContact CG2-CD2 4.13Å; R1282-L1303 HydrophobicContact CB-CD2 4.13Å; V1301-L1303 HydrophobicContact CG1-CD2 4.36Å
1304L94.1Very high83Confident0 Ų055.7 Ų55.70%031%0.311CS..EExtended strand (participates in β ladder)trans-126.7118.4-177.4-57.9179.9000109.1V1204 V1206 L1221 L1228 L1230 I1280 F1281 V1283 T1302V1204-L1304 HydrophobicContact CG2-CD2 4.48Å; V1206-L1304 HydrophobicContact CG1-CD2 3.87Å; L1221-L1304 HydrophobicContact CD2-CD1 4.04Å; L1228-L1304 HydrophobicContact CD2-CD1 4.35Å; L1230-L1304 HydrophobicContact CD2-CD2 3.7Å; I1280-L1304 CarbonylContact C-O 3.53Å; I1280-L1304 VanDerWaalsContact CA-O 3.28Å; I1280-L1304 WeakPolarHBondContact CA-O 3.17Å; F1281-L1304 HydrophobicContact CD1-CB 4.13Å; F1281-L1304 WeakPolarHBondContact CD1-O 3.44Å; F1281-L1304 HydrophobicContact CD2-CB 4.19Å; F1281-L1304 HydrophobicContact CD2-CD1 4.31Å; F1281-L1304 HydrophobicContact CE1-CB 3.74Å; F1281-L1304 WeakPolarHBondContact CE1-O 3.29Å; F1281-L1304 HydrophobicContact CE2-CB 3.83Å; F1281-L1304 HydrophobicContact CE2-CD1 3.56Å; F1281-L1304 HydrophobicContact CE2-CG 4.27Å; F1281-L1304 HydrophobicContact CG-CB 4.34Å; F1281-L1304 HydrophobicContact CZ-CB 3.59Å; F1281-L1304 HydrophobicContact CZ-CD1 3.84Å; F1281-L1304 HydrophobicContact CZ-CG 4.36Å; F1281-L1304 PolarHBondContact N-O 2.94Å; F1281-L1304 PolarHBondContact O-N 2.92Å; V1283-L1304 HydrophobicContact CB-CD1 4.43Å; V1283-L1304 HydrophobicContact CG2-CD1 3.57Å; V1283-L1304 HydrophobicContact CG2-CG 4.47Å; T1302-L1304 HydrophobicContact CG2-CD2 3.65Å; T1302-L1304 HydrophobicContact CG2-CG 4.17Å
1305M92.6Very high85Confident11 Ų1149.9 Ų49.95%0.05428%0.281CS..EExtended strand (participates in β ladder)trans-103.9109.6-179.4-171.6168.677.500111.4V1204 K1205 W1216 E1276 C1279 I1280V1204-M1305 CarbonylContact C-O 3.56Å; V1204-M1305 VanDerWaalsContact C-O 3.24Å; V1204-M1305 WeakPolarHBondContact CA-O 3.21Å; K1205-M1305 HydrophobicContact CB-CB 4.27Å; K1205-M1305 HydrophobicContact CB-CE 4.2Å; K1205-M1305 HydrophobicContact CD-CE 3.83Å; K1205-M1305 HydrophobicContact CG-CE 4.34Å; K1205-M1305 PolarHBondContact N-O 3.45Å; K1205-M1305 WeakPolarHBondContact O-CB 3.5Å; K1205-M1305 PolarHBondContact O-N 3.43Å; W1216-M1305 HydrophobicContact CB-CE 4.15Å; W1216-M1305 HydrophobicContact CD2-CB 4.31Å; W1216-M1305 HydrophobicContact CD2-CE 3.7Å; W1216-M1305 HydrophobicContact CD2-SD 4Å; W1216-M1305 HydrophobicContact CE3-CB 3.87Å; W1216-M1305 HydrophobicContact CE3-CE 4.35Å; W1216-M1305 HydrophobicContact CE3-SD 4.49Å; W1216-M1305 HydrophobicContact CG-CE 3.53Å; W1216-M1305 HydrophobicContact CG-SD 4.39Å; W1216-M1305 HydrophobicContact CH2-CB 4.18Å; W1216-M1305 HydrophobicContact CZ2-SD 4.06Å; W1216-M1305 HydrophobicContact CZ3-CB 3.78Å; E1276-M1305 HydrophobicContact CB-CE 4.42Å; E1276-M1305 HydrophobicContact CB-SD 3.31Å; E1276-M1305 WeakPolarHBondContact CB-SD 3.49Å; E1276-M1305 HydrophobicContact CG-CE 3.9Å; E1276-M1305 HydrophobicContact CG-SD 3.45Å; E1276-M1305 WeakPolarHBondContact CG-SD 3.21Å; C1279-M1305 HydrophobicContact CB-CG 3.84Å; C1279-M1305 WeakPolarHBondContact O-CA 3.45Å; I1280-M1305 HydrophobicContact CG1-CB 3.88Å; I1280-M1305 HydrophobicContact CG1-CG 3.86Å; I1280-M1305 HydrophobicContact CG1-SD 3.98Å
1306A92.5Very high86.9Confident2 Ų246.3 Ų46.32%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-67.4171.817300000112.2C1279 F1281 S1308 E1311 K1312C1279-A1306 HydrophobicContact CB-CB 4.45Å; C1279-A1306 WeakPolarHBondContact CB-O 3.35Å; C1279-A1306 PolarHBondContact O-N 2.86Å; F1281-A1306 HydrophobicContact CE1-CB 4.4Å; A1306-S1308 VanDerWaalsContact C-N 3.35Å; A1306-E1311 HydrophobicContact CB-CB 4.11Å; A1306-K1312 HydrophobicContact CB-CB 4.04Å
1307D86.3Confident88.1Confident80 Ų8043.7 Ų43.743%0.42823%0.231SC..SBendtrans-74.2-23.4173.7-74.4-41.7000114.1M1203 K1205M1203-D1307 WeakPolarHBondContact CB-OD2 3.47Å; K1205-D1307 IonicContact NZ-OD1 3.68Å; K1205-D1307 PolarHBondContact NZ-OD1 2.78Å
1308S84.5Confident88.7Confident44 Ų4443.5 Ų43.531%0.30823%0.23SC..SBendtrans-146.8163175.5790000112.5C1279 A1306 N1310 E1311 K1312C1279-S1308 VanDerWaalsContact SG-CA 3.59Å; A1306-S1308 VanDerWaalsContact C-N 3.35Å; S1308-N1310 VanDerWaalsContact C-N 3.29Å; S1308-N1310 PolarHBondContact O-N 3.37Å; S1308-N1310 PolarHBondContact OG-N 2.83Å; S1308-E1311 PolarHBondContact O-N 2.89Å; S1308-E1311 PolarHBondContact OG-N 3.22Å; S1308-E1311 VanDerWaalsContact OG-N 3.07Å; S1308-K1312 PolarHBondContact O-N 3.32Å
1309Q86.8Confident89.1Confident52 Ų5241.6 Ų41.624%0.24322%0.217CC..Hα-helixtrans-57.5-39.6172.2175.5-177.52.800112.4N405 L1278 C1279 K1312 Q1313N405-Q1309 PolarHBondContact O-NE2 3.46Å; L1278-Q1309 HydrophobicContact CD1-CB 4.35Å; L1278-Q1309 HydrophobicContact CD2-CB 3.91Å; L1278-Q1309 HydrophobicContact CD2-CG 3.62Å; C1279-Q1309 PolarHBondContact SG-N 3.14Å; C1279-Q1309 VanDerWaalsContact SG-N 3.43Å; Q1309-K1312 PolarHBondContact O-N 3.44Å; Q1309-Q1313 WeakPolarHBondContact O-CG 3.42Å; Q1309-Q1313 PolarHBondContact O-N 2.88Å
1310N85.3Confident89.3Confident89 Ų8939.1 Ų39.148%0.47621%0.208SC..Hα-helixtrans-64.8-45.5175.6-176.45.8000110.2S1308 K1312 Q1313 K1314S1308-N1310 VanDerWaalsContact C-N 3.29Å; S1308-N1310 PolarHBondContact O-N 3.37Å; S1308-N1310 PolarHBondContact OG-N 2.83Å; N1310-K1312 VanDerWaalsContact C-N 3.33Å; N1310-K1312 PolarHBondContact O-N 2.93Å; N1310-Q1313 WeakPolarHBondContact O-CB 3.19Å; N1310-Q1313 PolarHBondContact O-N 3.46Å; N1310-K1314 WeakPolarHBondContact O-CG 3.32Å; N1310-K1314 PolarHBondContact O-N 3.37Å
1311E89.2Confident89.3Confident56 Ų5642.5 Ų42.526%0.26222%0.224SC..Hα-helixtrans-64.7-37.4178-128.961.4-151.600112Y1200 A1306 S1308 K1314 W1315Y1200-E1311 PolarHBondContact OH-OE1 3.42Å; Y1200-E1311 VanDerWaalsContact OH-OE1 3.1Å; A1306-E1311 HydrophobicContact CB-CB 4.11Å; S1308-E1311 PolarHBondContact O-N 2.89Å; S1308-E1311 PolarHBondContact OG-N 3.22Å; S1308-E1311 VanDerWaalsContact OG-N 3.07Å; E1311-K1314 PolarHBondContact O-N 3.22Å; E1311-K1314 WeakPolarHBondContact OE1-CD 3.22Å; E1311-K1314 IonicContact OE1-NZ 3.17Å; E1311-K1314 PolarHBondContact OE1-NZ 2.93Å; E1311-K1314 IonicContact OE2-NZ 2.72Å; E1311-K1314 PolarHBondContact OE2-NZ 2.79Å; E1311-W1315 PolarHBondContact O-N 3.26Å
1312K91.6Very high89.1Confident2 Ų239.7 Ų39.71%0.00921%0.206CC..Hα-helixtrans-60.9-45.3167.6172.9-166.8177.6173.80112N405 V1277 L1278 I1280 F1281 A1306 S1308 Q1309 N1310 K1314 W1315 V1316N405-K1312 WeakPolarHBondContact OD1-CE 3.43Å; N405-K1312 PolarHBondContact OD1-NZ 2.94Å; V1277-K1312 PolarHBondContact O-NZ 3.48Å; L1278-K1312 WeakPolarHBondContact O-CD 3.37Å; L1278-K1312 WeakPolarHBondContact O-CE 3.41Å; L1278-K1312 PolarHBondContact O-NZ 2.9Å; I1280-K1312 WeakPolarHBondContact O-CE 3.4Å; I1280-K1312 PolarHBondContact O-NZ 3.19Å; F1281-K1312 HydrophobicContact CB-CG 4.08Å; F1281-K1312 HydrophobicContact CD1-CB 4.38Å; F1281-K1312 HydrophobicContact CD1-CG 3.88Å; F1281-K1312 HydrophobicContact CG-CG 4.33Å; A1306-K1312 HydrophobicContact CB-CB 4.04Å; S1308-K1312 PolarHBondContact O-N 3.32Å; Q1309-K1312 PolarHBondContact O-N 3.44Å; N1310-K1312 VanDerWaalsContact C-N 3.33Å; N1310-K1312 PolarHBondContact O-N 2.93Å; K1312-K1314 VanDerWaalsContact C-N 3.29Å; K1312-K1314 PolarHBondContact O-N 2.98Å; K1312-W1315 WeakPolarHBondContact O-CB 3.42Å; K1312-W1315 PolarHBondContact O-N 3.45Å; K1312-V1316 HydrophobicContact CG-CG2 3.94Å; K1312-V1316 WeakPolarHBondContact O-CB 3.45Å; K1312-V1316 VanDerWaalsContact O-CG2 3.31Å; K1312-V1316 WeakPolarHBondContact O-CG2 3.34Å; K1312-V1316 PolarHBondContact O-N 2.86Å
1313Q88.9Confident88.9Confident79 Ų7939.5 Ų39.537%0.36920%0.204SC..Hα-helixtrans-59-44.3178.9-79.2172.3-20.600110.3Q1309 N1310 V1316 I1317Q1309-Q1313 WeakPolarHBondContact O-CG 3.42Å; Q1309-Q1313 PolarHBondContact O-N 2.88Å; N1310-Q1313 WeakPolarHBondContact O-CB 3.19Å; N1310-Q1313 PolarHBondContact O-N 3.46Å; Q1313-V1316 PolarHBondContact O-N 2.75Å; Q1313-I1317 VanDerWaalsContact O-CB 3.31Å; Q1313-I1317 WeakPolarHBondContact O-CB 3.32Å; Q1313-I1317 WeakPolarHBondContact O-CD1 3.36Å; Q1313-I1317 WeakPolarHBondContact O-CG1 3.44Å; Q1313-I1317 PolarHBondContact O-N 2.65Å
1314K89.8Confident88.6Confident75 Ų7545 Ų4533%0.32622%0.224SC..Hα-helixtrans-57.5-53.6170.3-62169.3-171.7163.70111.7Y1200 N1310 E1311 K1312 V1316 I1317 S1318Y1200-K1314 HydrophobicContact CE1-CB 4.26Å; Y1200-K1314 VanDerWaalsContact OH-CB 3.29Å; Y1200-K1314 WeakPolarHBondContact OH-CB 3.16Å; Y1200-K1314 WeakPolarHBondContact OH-CD 3.39Å; N1310-K1314 WeakPolarHBondContact O-CG 3.32Å; N1310-K1314 PolarHBondContact O-N 3.37Å; E1311-K1314 PolarHBondContact O-N 3.22Å; E1311-K1314 WeakPolarHBondContact OE1-CD 3.22Å; E1311-K1314 IonicContact OE1-NZ 3.17Å; E1311-K1314 PolarHBondContact OE1-NZ 2.93Å; E1311-K1314 IonicContact OE2-NZ 2.72Å; E1311-K1314 PolarHBondContact OE2-NZ 2.79Å; K1312-K1314 VanDerWaalsContact C-N 3.29Å; K1312-K1314 PolarHBondContact O-N 2.98Å; K1314-V1316 PolarHBondContact O-N 3.19Å; K1314-I1317 PolarHBondContact O-N 2.83Å; K1314-S1318 WeakPolarHBondContact O-CB 3.44Å; K1314-S1318 PolarHBondContact O-N 2.9Å; K1314-S1318 PolarHBondContact O-OG 3.13Å; K1314-S1318 VanDerWaalsContact O-OG 3.13Å
1315W92.1Very high87.9Confident1 Ų147.5 Ų47.50%0.00423%0.234CC..Hα-helixtrans-51.8-51.1177-80.3117000112.2Y1200 V1204 L1221 I1223 F1281 E1311 K1312 L1319Y1200-W1315 AromaticContact CD1-CD2 3.79Å; Y1200-W1315 HydrophobicContact CD1-CD2 3.79Å; Y1200-W1315 AromaticContact CD1-CE3 3.48Å; Y1200-W1315 HydrophobicContact CD1-CE3 3.48Å; Y1200-W1315 VanDerWaalsContact CD1-CE3 3.48Å; Y1200-W1315 AromaticContact CD1-CH2 3.84Å; Y1200-W1315 HydrophobicContact CD1-CH2 3.84Å; Y1200-W1315 HydrophobicContact CD1-CZ2 4.18Å; Y1200-W1315 AromaticContact CD1-CZ3 3.5Å; Y1200-W1315 HydrophobicContact CD1-CZ3 3.5Å; Y1200-W1315 VanDerWaalsContact CD1-CZ3 3.5Å; Y1200-W1315 AromaticContact CE1-CD2 3.58Å; Y1200-W1315 HydrophobicContact CE1-CD2 3.58Å; Y1200-W1315 AromaticContact CE1-CE2 3.74Å; Y1200-W1315 AromaticContact CE1-CE3 3.81Å; Y1200-W1315 HydrophobicContact CE1-CE3 3.81Å; Y1200-W1315 AromaticContact CE1-CG 3.98Å; Y1200-W1315 HydrophobicContact CE1-CG 3.98Å; Y1200-W1315 HydrophobicContact CE1-CH2 4.22Å; Y1200-W1315 HydrophobicContact CE1-CZ2 4.07Å; Y1200-W1315 HydrophobicContact CE1-CZ3 4.11Å; Y1200-W1315 HydrophobicContact CG-CZ3 4.49Å; V1204-W1315 HydrophobicContact CG1-CZ2 4.08Å; L1221-W1315 HydrophobicContact CB-CH2 3.73Å; L1221-W1315 HydrophobicContact CB-CZ2 4.01Å; L1221-W1315 HydrophobicContact CB-CZ3 4.36Å; L1221-W1315 HydrophobicContact CD2-CD2 4.09Å; L1221-W1315 HydrophobicContact CD2-CE3 3.65Å; L1221-W1315 HydrophobicContact CD2-CH2 3.56Å; L1221-W1315 HydrophobicContact CD2-CZ2 3.94Å; L1221-W1315 HydrophobicContact CD2-CZ3 3.38Å; L1221-W1315 HydrophobicContact CG-CE3 4.34Å; L1221-W1315 HydrophobicContact CG-CH2 3.43Å; L1221-W1315 VanDerWaalsContact CG-CH2 3.43Å; L1221-W1315 HydrophobicContact CG-CZ2 4.09Å; L1221-W1315 HydrophobicContact CG-CZ3 3.56Å; L1221-W1315 WeakPolarHBondContact O-CH2 3.35Å; I1223-W1315 HydrophobicContact CD1-CE3 3.77Å; I1223-W1315 HydrophobicContact CD1-CZ3 3.52Å; I1223-W1315 HydrophobicContact CG1-CZ3 3.91Å; F1281-W1315 HydrophobicContact CD1-CB 4.39Å; F1281-W1315 HydrophobicContact CE1-CB 3.76Å; F1281-W1315 AromaticContact CE1-CD1 3.83Å; F1281-W1315 AromaticContact CE1-CG 3.8Å; F1281-W1315 HydrophobicContact CE1-CG 3.8Å; F1281-W1315 HydrophobicContact CE2-CB 4.01Å; F1281-W1315 HydrophobicContact CE2-CG 4.44Å; F1281-W1315 HydrophobicContact CZ-CB 3.54Å; F1281-W1315 AromaticContact CZ-CD2 3.98Å; F1281-W1315 HydrophobicContact CZ-CD2 3.98Å; F1281-W1315 HydrophobicContact CZ-CE3 4.44Å; F1281-W1315 AromaticContact CZ-CG 3.57Å; F1281-W1315 HydrophobicContact CZ-CG 3.57Å; E1311-W1315 PolarHBondContact O-N 3.26Å; K1312-W1315 WeakPolarHBondContact O-CB 3.42Å; K1312-W1315 PolarHBondContact O-N 3.45Å; W1315-L1319 HydrophobicContact CE3-CD1 4.45Å; W1315-L1319 WeakPolarHBondContact O-CB 3.5Å; W1315-L1319 WeakPolarHBondContact O-CD1 3.49Å; W1315-L1319 WeakPolarHBondContact O-CG 3.49Å; W1315-L1319 PolarHBondContact O-N 3.18Å
1316V91.3Very high87.2Confident17 Ų1747.7 Ų47.710%0.10324%0.236CC..Hα-helixtrans-67-40.7-177.8173.10000111.3V1261 F1281 K1312 Q1313 K1314 N1320V1261-V1316 HydrophobicContact CG1-CG2 4.38Å; F1281-V1316 HydrophobicContact CB-CG2 3.55Å; F1281-V1316 HydrophobicContact CD2-CG2 4.22Å; F1281-V1316 HydrophobicContact CG-CG2 3.92Å; K1312-V1316 HydrophobicContact CG-CG2 3.94Å; K1312-V1316 WeakPolarHBondContact O-CB 3.45Å; K1312-V1316 VanDerWaalsContact O-CG2 3.31Å; K1312-V1316 WeakPolarHBondContact O-CG2 3.34Å; K1312-V1316 PolarHBondContact O-N 2.86Å; Q1313-V1316 PolarHBondContact O-N 2.75Å; K1314-V1316 PolarHBondContact O-N 3.19Å; V1316-N1320 WeakPolarHBondContact O-CB 3.43Å; V1316-N1320 PolarHBondContact O-N 2.75Å; V1316-N1320 PolarHBondContact O-ND2 3.04Å
1317I88Confident86.6Confident99 Ų9954.8 Ų54.851%0.50826%0.262SS..Hα-helixtrans-65.3-57.7175.5-69.5164.8000109.6Q1313 K1314 L1319 N1320 E1321Q1313-I1317 VanDerWaalsContact O-CB 3.31Å; Q1313-I1317 WeakPolarHBondContact O-CB 3.32Å; Q1313-I1317 WeakPolarHBondContact O-CD1 3.36Å; Q1313-I1317 WeakPolarHBondContact O-CG1 3.44Å; Q1313-I1317 PolarHBondContact O-N 2.65Å; K1314-I1317 PolarHBondContact O-N 2.83Å; I1317-L1319 VanDerWaalsContact C-N 3.28Å; I1317-L1319 PolarHBondContact O-N 2.82Å; I1317-N1320 PolarHBondContact O-N 3.34Å; I1317-N1320 VanDerWaalsContact O-N 3.08Å; I1317-E1321 HydrophobicContact CG2-CG 4.18Å; I1317-E1321 WeakPolarHBondContact O-CG 3.39Å; I1317-E1321 PolarHBondContact O-N 2.71Å
1318S85Confident86.1Confident36 Ų3657.8 Ų57.825%0.25227%0.271SS..Hα-helixtrans-55.3-40.9-179.5-62.60000112.7K1314 L1322K1314-S1318 WeakPolarHBondContact O-CB 3.44Å; K1314-S1318 PolarHBondContact O-N 2.9Å; K1314-S1318 PolarHBondContact O-OG 3.13Å; K1314-S1318 VanDerWaalsContact O-OG 3.13Å; S1318-L1322 WeakPolarHBondContact O-CB 2.95Å; S1318-L1322 VanDerWaalsContact O-CG 3.24Å; S1318-L1322 WeakPolarHBondContact O-CG 3.46Å; S1318-L1322 PolarHBondContact O-N 3.43Å
1319L91.1Very high85.4Confident0 Ų062.9 Ų62.90%028%0.283CS..Hα-helixtrans-67.4-45.4175.6-76.4164.3000112.6I1223 L1228 M1254 F1259 V1261 F1281 W1315 I1317 L1322 V1323I1223-L1319 HydrophobicContact CD1-CD1 4.3Å; I1223-L1319 HydrophobicContact CD1-CD2 3.34Å; I1223-L1319 HydrophobicContact CD1-CG 3.61Å; I1223-L1319 HydrophobicContact CG1-CD2 3.93Å; L1228-L1319 HydrophobicContact CD1-CD2 3.73Å; L1228-L1319 HydrophobicContact CD2-CD2 4.13Å; L1228-L1319 HydrophobicContact CG-CD2 4.17Å; M1254-L1319 HydrophobicContact CE-CD2 3.58Å; M1254-L1319 HydrophobicContact SD-CD2 4.21Å; F1259-L1319 HydrophobicContact CZ-CD2 4.36Å; V1261-L1319 HydrophobicContact CB-CB 4Å; V1261-L1319 HydrophobicContact CB-CD1 4.47Å; V1261-L1319 HydrophobicContact CG1-CB 3.96Å; V1261-L1319 HydrophobicContact CG1-CD1 3.76Å; V1261-L1319 HydrophobicContact CG1-CG 4.47Å; V1261-L1319 HydrophobicContact CG2-CB 3.76Å; V1261-L1319 HydrophobicContact CG2-CD1 4.1Å; V1261-L1319 HydrophobicContact CG2-CD2 4.41Å; V1261-L1319 HydrophobicContact CG2-CG 4.3Å; F1281-L1319 HydrophobicContact CD2-CD1 4.27Å; F1281-L1319 HydrophobicContact CE2-CD1 3.62Å; F1281-L1319 HydrophobicContact CZ-CD1 4.5Å; W1315-L1319 HydrophobicContact CE3-CD1 4.45Å; W1315-L1319 WeakPolarHBondContact O-CB 3.5Å; W1315-L1319 WeakPolarHBondContact O-CD1 3.49Å; W1315-L1319 WeakPolarHBondContact O-CG 3.49Å; W1315-L1319 PolarHBondContact O-N 3.18Å; I1317-L1319 VanDerWaalsContact C-N 3.28Å; I1317-L1319 PolarHBondContact O-N 2.82Å; L1319-L1322 PolarHBondContact O-N 2.93Å; L1319-V1323 VanDerWaalsContact O-CG2 3.32Å; L1319-V1323 WeakPolarHBondContact O-CG2 3.28Å; L1319-V1323 PolarHBondContact O-N 2.72Å
1320N90.3Very high84.1Confident32 Ų3271.3 Ų71.317%0.17131%0.313CS..Hα-helixtrans-69.6-33.9178.4-76.7-86.9000111.9K402 V1261 V1316 I1317 V1323 R1324K402-N1320 PolarHBondContact NZ-OD1 3.06Å; V1261-N1320 PolarHBondContact O-ND2 2.81Å; V1261-N1320 PolarHBondContact O-OD1 3.3Å; V1316-N1320 WeakPolarHBondContact O-CB 3.43Å; V1316-N1320 PolarHBondContact O-N 2.75Å; V1316-N1320 PolarHBondContact O-ND2 3.04Å; I1317-N1320 PolarHBondContact O-N 3.34Å; I1317-N1320 VanDerWaalsContact O-N 3.08Å; N1320-V1323 PolarHBondContact O-N 3.45Å; N1320-R1324 WeakPolarHBondContact O-CG 3.46Å; N1320-R1324 PolarHBondContact O-N 3.31Å
1321E85.4Confident82.9Confident97 Ų9769.7 Ų69.745%0.45330%0.304SS..Hα-helixtrans-62.9-43171.6-66.6-43.7142.400111.9I1317 V1323 R1324 F1325I1317-E1321 HydrophobicContact CG2-CG 4.18Å; I1317-E1321 WeakPolarHBondContact O-CG 3.39Å; I1317-E1321 PolarHBondContact O-N 2.71Å; E1321-V1323 VanDerWaalsContact C-N 3.33Å; E1321-V1323 PolarHBondContact O-N 2.73Å; E1321-R1324 PolarHBondContact O-N 3.1Å; E1321-R1324 IonicContact OE1-CZ 3.78Å; E1321-R1324 IonicContact OE1-NH1 2.67Å; E1321-R1324 PolarHBondContact OE1-NH1 2.84Å; E1321-R1324 IonicContact OE2-CZ 2.81Å; E1321-R1324 IonicContact OE2-NH1 3.52Å; E1321-R1324 PolarHBondContact OE2-NH1 2.7Å; E1321-F1325 WeakPolarHBondContact O-CB 3.47Å; E1321-F1325 PolarHBondContact O-N 2.92Å
1322L85.3Confident81.1Confident21 Ų2172.3 Ų72.311%0.1132%0.324CS..Hα-helixtrans-65.1-36.2175.7-72.7170.4000112.2I1190 A1199 I1223 M1254 S1318 L1319 F1325 L1326I1190-L1322 HydrophobicContact CD1-CD2 3.98Å; A1199-L1322 HydrophobicContact CB-CD1 3.87Å; I1223-L1322 HydrophobicContact CG2-CD1 3.57Å; M1254-L1322 HydrophobicContact CE-CB 3.6Å; M1254-L1322 HydrophobicContact CE-CD1 4.22Å; M1254-L1322 HydrophobicContact SD-CB 4.48Å; M1254-L1322 HydrophobicContact SD-CD1 4.37Å; S1318-L1322 WeakPolarHBondContact O-CB 2.95Å; S1318-L1322 VanDerWaalsContact O-CG 3.24Å; S1318-L1322 WeakPolarHBondContact O-CG 3.46Å; S1318-L1322 PolarHBondContact O-N 3.43Å; L1319-L1322 PolarHBondContact O-N 2.93Å; L1322-F1325 PolarHBondContact O-N 2.9Å; L1322-L1326 WeakPolarHBondContact O-CB 3.23Å; L1322-L1326 VanDerWaalsContact O-CG 3.28Å; L1322-L1326 WeakPolarHBondContact O-CG 3.37Å; L1322-L1326 PolarHBondContact O-N 2.95Å
1323V84.7Confident79.5Confident11 Ų1176 Ų767%0.06734%0.341CS..Hα-helixtrans-66.5-41.5172.3172.70000111.8M1254 F1259 L1319 N1320 E1321 L1326 R1327M1254-V1323 HydrophobicContact CE-CG2 4.14Å; F1259-V1323 HydrophobicContact CD1-CG2 3.45Å; F1259-V1323 VanDerWaalsContact CD1-CG2 3.45Å; F1259-V1323 HydrophobicContact CE1-CG2 3.64Å; L1319-V1323 VanDerWaalsContact O-CG2 3.32Å; L1319-V1323 WeakPolarHBondContact O-CG2 3.28Å; L1319-V1323 PolarHBondContact O-N 2.72Å; N1320-V1323 PolarHBondContact O-N 3.45Å; E1321-V1323 VanDerWaalsContact C-N 3.33Å; E1321-V1323 PolarHBondContact O-N 2.73Å; V1323-L1326 PolarHBondContact O-N 2.77Å; V1323-R1327 HydrophobicContact CG1-CG 4.47Å; V1323-R1327 WeakPolarHBondContact O-CB 3.5Å; V1323-R1327 WeakPolarHBondContact O-CG 3.28Å; V1323-R1327 PolarHBondContact O-N 2.7Å
1324R84.7Confident78.5Confident142 Ų14275.6 Ų75.654%0.53634%0.338SS..Hα-helixtrans-64.7-40.2173-68.9-165.1-152.294.9-5.5111.7N1320 E1321 R1327 K1328N1320-R1324 WeakPolarHBondContact O-CG 3.46Å; N1320-R1324 PolarHBondContact O-N 3.31Å; E1321-R1324 PolarHBondContact O-N 3.1Å; E1321-R1324 IonicContact OE1-CZ 3.78Å; E1321-R1324 IonicContact OE1-NH1 2.67Å; E1321-R1324 PolarHBondContact OE1-NH1 2.84Å; E1321-R1324 IonicContact OE2-CZ 2.81Å; E1321-R1324 IonicContact OE2-NH1 3.52Å; E1321-R1324 PolarHBondContact OE2-NH1 2.7Å; R1324-R1327 PolarHBondContact O-N 3.37Å; R1324-K1328 WeakPolarHBondContact O-CB 3.41Å; R1324-K1328 PolarHBondContact O-N 2.9Å
1325F81Confident77.9Confident51 Ų5173.3 Ų73.322%0.22433%0.328CS..Hα-helixtrans-61.1-47.9175.5173-92.6000111.7P1192 E1321 L1322 K1328 R1329 L1331P1192-F1325 WeakPolarHBondContact O-CZ 3.27Å; E1321-F1325 WeakPolarHBondContact O-CB 3.47Å; E1321-F1325 PolarHBondContact O-N 2.92Å; L1322-F1325 PolarHBondContact O-N 2.9Å; F1325-K1328 PolarHBondContact O-N 3.02Å; F1325-R1329 HydrophobicContact CD2-CG 4.2Å; F1325-R1329 HydrophobicContact CE1-CG 4.45Å; F1325-R1329 HydrophobicContact CE2-CG 3.99Å; F1325-R1329 HydrophobicContact CZ-CG 4.11Å; F1325-R1329 VanDerWaalsContact O-CB 3.3Å; F1325-R1329 WeakPolarHBondContact O-CB 3.49Å; F1325-R1329 WeakPolarHBondContact O-CG 3.41Å; F1325-R1329 PolarHBondContact O-N 2.69Å; F1325-L1331 HydrophobicContact CD1-CD1 4.29Å; F1325-L1331 HydrophobicContact CE1-CD1 3.65Å; F1325-L1331 HydrophobicContact CZ-CD1 4.42Å
1326L77.5Confident77.7Confident16 Ų1673.2 Ų73.28%0.08433%0.328CS..Hα-helixtrans-55.2-56.8173.7-80.7166.1000111.7L1226 M1254 R1255 L1322 V1323 K1328 R1329 R1330 L1331L1226-L1326 HydrophobicContact CD1-CD2 3.75Å; L1226-L1326 HydrophobicContact CD2-CD1 4.18Å; L1226-L1326 HydrophobicContact CD2-CD2 3.87Å; L1226-L1326 HydrophobicContact CD2-CG 3.99Å; L1226-L1326 HydrophobicContact CG-CD2 4.23Å; M1254-L1326 HydrophobicContact CB-CD1 3.68Å; M1254-L1326 VanDerWaalsContact O-CD1 3.32Å; M1254-L1326 WeakPolarHBondContact O-CD1 3.45Å; R1255-L1326 HydrophobicContact CG-CD2 3.93Å; L1322-L1326 WeakPolarHBondContact O-CB 3.23Å; L1322-L1326 VanDerWaalsContact O-CG 3.28Å; L1322-L1326 WeakPolarHBondContact O-CG 3.37Å; L1322-L1326 PolarHBondContact O-N 2.95Å; V1323-L1326 PolarHBondContact O-N 2.77Å; L1326-K1328 VanDerWaalsContact C-N 3.33Å; L1326-K1328 PolarHBondContact O-N 3.28Å; L1326-R1329 PolarHBondContact O-N 3.27Å; L1326-R1330 PolarHBondContact O-N 2.7Å; L1326-L1331 HydrophobicContact CD2-CB 4.46Å; L1326-L1331 HydrophobicContact CD2-CD1 4.21Å
1327R79.6Confident77.7Confident150 Ų15072.6 Ų72.657%0.56632%0.324SS*.Hα-helixtrans-61.1-37.9-179.3-70.1177.9178.2-173.9-1.8112V1323 R1324V1323-R1327 HydrophobicContact CG1-CG 4.47Å; V1323-R1327 WeakPolarHBondContact O-CB 3.5Å; V1323-R1327 WeakPolarHBondContact O-CG 3.28Å; V1323-R1327 PolarHBondContact O-N 2.7Å; R1324-R1327 PolarHBondContact O-N 3.37Å
1328K76.9Confident77.7Confident144 Ų14469.7 Ų69.763%0.62631%0.309SS*.Hα-helixtrans-74.3-34.4179.3-173.7168.2-177.1168.60113.6R1324 F1325 L1326R1324-K1328 WeakPolarHBondContact O-CB 3.41Å; R1324-K1328 PolarHBondContact O-N 2.9Å; F1325-K1328 PolarHBondContact O-N 3.02Å; L1326-K1328 VanDerWaalsContact C-N 3.33Å; L1326-K1328 PolarHBondContact O-N 3.28Å
1329R68.9Low78.1Confident150 Ų15068 Ų6857%0.56630%0.298SS*.Hα-helixtrans-84.7-11-176.9-75.7-103.3-176.8-148.81.1114.5F1325 L1326 L1331F1325-R1329 HydrophobicContact CD2-CG 4.2Å; F1325-R1329 HydrophobicContact CE1-CG 4.45Å; F1325-R1329 HydrophobicContact CE2-CG 3.99Å; F1325-R1329 HydrophobicContact CZ-CG 4.11Å; F1325-R1329 VanDerWaalsContact O-CB 3.3Å; F1325-R1329 WeakPolarHBondContact O-CB 3.49Å; F1325-R1329 WeakPolarHBondContact O-CG 3.41Å; F1325-R1329 PolarHBondContact O-N 2.69Å; L1326-R1329 PolarHBondContact O-N 3.27Å; R1329-L1331 HydrophobicContact CB-CD1 4.2Å; R1329-L1331 HydrophobicContact CB-CG 3.79Å; R1329-L1331 PolarHBondContact O-N 3.03Å; R1329-L1331 VanDerWaalsContact O-N 3.17Å
1330R59.7Low78Confident229 Ų22970.2 Ų70.286%0.86431%0.306SS*.THydrogen-bonded Turntrans48.136.3-169.6-62-175.3177-178.6-0.9112.5L1326 T1332L1326-R1330 PolarHBondContact O-N 2.7Å; R1330-T1332 PolarHBondContact O-N 3.35Å; R1330-T1332 VanDerWaalsContact O-N 3.16Å
1331L60.2Low77.9Confident56 Ų5669.6 Ų69.629%0.29330%0.302SS..  trans-56.3123.4179.3-77.4168.8000108.7L1226 F1325 L1326 R1329 Q1333L1226-L1331 HydrophobicContact CD1-CD1 4.19Å; F1325-L1331 HydrophobicContact CD1-CD1 4.29Å; F1325-L1331 HydrophobicContact CE1-CD1 3.65Å; F1325-L1331 HydrophobicContact CZ-CD1 4.42Å; L1326-L1331 HydrophobicContact CD2-CB 4.46Å; L1326-L1331 HydrophobicContact CD2-CD1 4.21Å; R1329-L1331 HydrophobicContact CB-CD1 4.2Å; R1329-L1331 HydrophobicContact CB-CG 3.79Å; R1329-L1331 PolarHBondContact O-N 3.03Å; R1329-L1331 VanDerWaalsContact O-N 3.17Å; L1331-Q1333 PolarHBondContact O-N 3.27Å
1332T51.5Low78.1Confident111 Ų11165 Ų6568%0.68128%0.28SS*.  trans-53.8124.7-158.944.20000111.6R1330 K1334R1330-T1332 PolarHBondContact O-N 3.35Å; R1330-T1332 VanDerWaalsContact O-N 3.16Å; T1332-K1334 VanDerWaalsContact C-N 3.3Å; T1332-K1334 PolarHBondContact O-N 3.24Å
1333Q57.9Low78.1Confident78 Ų7864 Ų6436%0.36428%0.275SS..  trans-72.688.4-174.7-169-174.35200109.2E1257 L1331 K1335E1257-Q1333 PolarHBondContact OE1-NE2 3.32Å; E1257-Q1333 PolarHBondContact OE1-OE1 2.73Å; L1331-Q1333 PolarHBondContact O-N 3.27Å; Q1333-K1335 HydrophobicContact CG-CD 4.23Å; Q1333-K1335 HydrophobicContact CG-CG 4.04Å; Q1333-K1335 PolarHBondContact O-N 3.13Å
1334K67.7Low78.2Confident71 Ų7163.7 Ų63.731%0.30927%0.273SS..  trans-71.558.3175-66.1-168.6-179.6-173.10111.1T1332 E1621 V1623T1332-K1334 VanDerWaalsContact C-N 3.3Å; T1332-K1334 PolarHBondContact O-N 3.24Å; K1334-E1621 IonicContact NZ-OE1 2.8Å; K1334-E1621 PolarHBondContact NZ-OE1 2.76Å; K1334-E1621 IonicContact NZ-OE2 3.63Å; K1334-E1621 PolarHBondContact NZ-OE2 3.11Å; K1334-V1623 HydrophobicContact CB-CG1 3.94Å; K1334-V1623 CarbonylContact O-C 3.52Å; K1334-V1623 WeakPolarHBondContact O-CG1 3.49Å; K1334-V1623 VanDerWaalsContact O-O 3.11Å
1335K77.7Confident78.3Confident27 Ų2760 Ų6012%0.11726%0.262CS..  trans-74.5135.7157.1-79.3173.7175.6171.50107.5E1257 Q1333 M1657E1257-K1335 IonicContact OE1-NZ 3.64Å; E1257-K1335 PolarHBondContact OE1-NZ 2.76Å; E1257-K1335 IonicContact OE2-NZ 2.75Å; E1257-K1335 PolarHBondContact OE2-NZ 3.11Å; Q1333-K1335 HydrophobicContact CG-CD 4.23Å; Q1333-K1335 HydrophobicContact CG-CG 4.04Å; Q1333-K1335 PolarHBondContact O-N 3.13Å; K1335-M1657 HydrophobicContact CB-CE 3.49Å; K1335-M1657 VanDerWaalsContact CB-CE 3.49Å; K1335-M1657 HydrophobicContact CB-SD 3.57Å; K1335-M1657 VanDerWaalsContact CB-SD 3.57Å; K1335-M1657 HydrophobicContact CD-CE 4.17Å; K1335-M1657 HydrophobicContact CD-SD 3.62Å; K1335-M1657 HydrophobicContact CG-CE 4.5Å; K1335-M1657 HydrophobicContact CG-SD 4.27Å
1336A87.1Confident78.4Confident0 Ų061.1 Ų61.10%028%0.277CS..  trans-101.6-48163.800000109.2Y1603 V1614 V1623 D1656 M1657A1336-Y1603 HydrophobicContact CB-CD1 3.83Å; A1336-Y1603 HydrophobicContact CB-CD2 3.91Å; A1336-Y1603 HydrophobicContact CB-CE1 3.62Å; A1336-Y1603 HydrophobicContact CB-CE2 3.7Å; A1336-Y1603 HydrophobicContact CB-CG 3.97Å; A1336-V1614 HydrophobicContact CB-CG1 3.99Å; A1336-V1623 HydrophobicContact CB-CG1 4.16Å; A1336-D1656 WeakPolarHBondContact O-CA 3.38Å; A1336-M1657 PolarHBondContact O-N 3.31Å
1337F91.5Very high78.5Confident4 Ų461.4 Ų61.42%0.01828%0.281CS..EExtended strand (participates in β ladder)trans-118.5142.6-175.5-57.9-76.5000113.1Y1603 C1605 V1614 Q1624 L1626 L1654 S1655 D1656F1337-Y1603 HydrophobicContact CE2-CD2 4.16Å; F1337-Y1603 HydrophobicContact CE2-CG 4.14Å; F1337-Y1603 AromaticContact CZ-CD2 3.91Å; F1337-Y1603 HydrophobicContact CZ-CD2 3.91Å; F1337-Y1603 HydrophobicContact CZ-CG 4.23Å; F1337-C1605 VanDerWaalsContact CE2-SG 3.54Å; F1337-V1614 HydrophobicContact CD2-CG1 4.16Å; F1337-V1614 HydrophobicContact CD2-CG2 4.21Å; F1337-V1614 HydrophobicContact CE2-CG1 3.81Å; F1337-V1614 HydrophobicContact CE2-CG2 4.48Å; F1337-Q1624 PolarHBondContact O-NE2 3.16Å; F1337-Q1624 PolarHBondContact O-OE1 2.98Å; F1337-L1626 HydrophobicContact CB-CD1 4.34Å; F1337-L1654 HydrophobicContact CB-CB 4.27Å; F1337-L1654 HydrophobicContact CD1-CB 3.92Å; F1337-L1654 WeakPolarHBondContact CD1-O 3.22Å; F1337-L1654 HydrophobicContact CG-CB 4.14Å; F1337-S1655 CarbonylContact C-O 3.57Å; F1337-S1655 VanDerWaalsContact CA-O 3.25Å; F1337-S1655 WeakPolarHBondContact CA-O 3.41Å; F1337-D1656 HydrophobicContact CD1-CB 4.08Å; F1337-D1656 HydrophobicContact CE1-CB 3.86Å
1338I88.6Confident78.8Confident38 Ų3854.3 Ų54.320%0.19525%0.254CS..EExtended strand (participates in β ladder)trans-97.8134.4160.5-67.7170.5000107.5H1289 R1340 S1655 M1657H1289-I1338 HydrophobicContact CB-CG2 3.81Å; I1338-R1340 HydrophobicContact CG2-CG 4.13Å; I1338-S1655 PolarHBondContact N-O 2.76Å; I1338-S1655 PolarHBondContact O-N 3.2Å; I1338-M1657 HydrophobicContact CD1-CG 3.9Å; I1338-M1657 HydrophobicContact CD1-SD 3.8Å; I1338-M1657 HydrophobicContact CG1-CG 3.8Å; I1338-M1657 HydrophobicContact CG1-SD 3.76Å
1339V91.9Very high79Confident1 Ų149.3 Ų49.31%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-93.1114.5176.8-173.50000109.2I1288 H1289 Q1290 L1626 L1628 V1652 L1654I1288-V1339 HydrophobicContact CG1-CG1 4.43Å; I1288-V1339 HydrophobicContact CG2-CG1 4.34Å; I1288-V1339 WeakPolarHBondContact CG2-O 3.25Å; H1289-V1339 WeakPolarHBondContact CB-O 3.41Å; H1289-V1339 PolarHBondContact N-O 3.22Å; H1289-V1339 PolarHBondContact ND1-N 2.99Å; Q1290-V1339 PolarHBondContact N-O 3.32Å; V1339-L1626 HydrophobicContact CG2-CD1 4.28Å; V1339-L1626 HydrophobicContact CG2-CD2 4.02Å; V1339-L1628 HydrophobicContact CG1-CD1 4.48Å; V1339-L1628 HydrophobicContact CG1-CD2 4.11Å; V1339-L1628 HydrophobicContact CG2-CD1 4.25Å; V1339-L1628 HydrophobicContact CG2-CD2 4.4Å; V1339-V1652 HydrophobicContact CG1-CB 3.75Å; V1339-V1652 HydrophobicContact CG1-CG1 3.95Å; V1339-V1652 HydrophobicContact CG1-CG2 3.91Å; V1339-L1654 HydrophobicContact CG1-CD2 4.36Å; V1339-L1654 HydrophobicContact CG2-CD2 3.94Å
1340R90.2Very high79.7Confident45 Ų4542.2 Ų42.217%0.1721%0.21CC..EExtended strand (participates in β ladder)trans-111.1143.8173.2-50.2-170-173.8138.921.5110.7Q1290 I1338 V1652 L1653 S1655 D1662 T1666Q1290-R1340 HydrophobicContact CB-CB 4.44Å; Q1290-R1340 HydrophobicContact CB-CG 4.17Å; Q1290-R1340 WeakPolarHBondContact O-CA 3.49Å; I1338-R1340 HydrophobicContact CG2-CG 4.13Å; R1340-V1652 CarbonylContact O-C 3.59Å; R1340-V1652 WeakPolarHBondContact O-CA 3.38Å; R1340-V1652 VanDerWaalsContact O-CB 3.27Å; R1340-V1652 WeakPolarHBondContact O-CB 3.46Å; R1340-L1653 HydrophobicContact CB-CB 4.41Å; R1340-L1653 PolarHBondContact N-O 3.12Å; R1340-L1653 PolarHBondContact O-N 3.5Å; R1340-S1655 VanDerWaalsContact CZ-OG 3.27Å; R1340-S1655 PolarHBondContact NE-OG 3.25Å; R1340-S1655 PolarHBondContact NH2-OG 3.4Å; R1340-D1662 IonicContact CZ-OD2 2.84Å; R1340-D1662 IonicContact NH1-OD1 3.81Å; R1340-D1662 IonicContact NH1-OD2 3.23Å; R1340-D1662 PolarHBondContact NH1-OD2 3.1Å; R1340-D1662 IonicContact NH2-OD2 3.91Å; R1340-D1662 PolarHBondContact NH2-OD2 3.03Å; R1340-T1666 HydrophobicContact CB-CG2 3.96Å; R1340-T1666 VanDerWaalsContact CD-CG2 3.45Å; R1340-T1666 HydrophobicContact CG-CG2 4.35Å
1341E88.6Confident81Confident19 Ų1931.3 Ų31.39%0.08917%0.169CC..EExtended strand (participates in β ladder)trans-81.5141.1172.9-170.4175.1-140.600110.8I1288 Q1290 P1291 V1292 C1650I1288-E1341 HydrophobicContact CD1-CB 4.05Å; I1288-E1341 HydrophobicContact CD1-CG 4.28Å; I1288-E1341 HydrophobicContact CG2-CB 4.12Å; Q1290-E1341 PolarHBondContact O-N 3.45Å; P1291-E1341 WeakPolarHBondContact CA-OE2 3.47Å; P1291-E1341 WeakPolarHBondContact CB-OE2 3.33Å; V1292-E1341 HydrophobicContact CG2-CB 3.91Å; V1292-E1341 HydrophobicContact CG2-CG 3.91Å; V1292-E1341 WeakPolarHBondContact CG2-O 3.38Å; V1292-E1341 PolarHBondContact N-OE2 2.9Å; E1341-C1650 PolarHBondContact OE1-SG 2.96Å
1342L88.3Confident82.3Confident0 Ų033.4 Ų33.40%017%0.173CC..EExtended strand (participates in β ladder)trans-110.3-52.1170.2-62.3-176.8000111.4V1378 L1640 I1651 L1653 M1664 T1666L1342-V1378 HydrophobicContact CD2-CG1 4.37Å; L1342-L1640 HydrophobicContact CD1-CD2 3.42Å; L1342-L1640 VanDerWaalsContact CD1-CD2 3.42Å; L1342-I1651 PolarHBondContact N-O 3.31Å; L1342-L1653 HydrophobicContact CD1-CB 4.21Å; L1342-L1653 HydrophobicContact CD2-CB 4.2Å; L1342-L1653 HydrophobicContact CG-CB 4.11Å; L1342-M1664 HydrophobicContact CD1-CB 4.27Å; L1342-M1664 HydrophobicContact CD1-CG 4.37Å; L1342-T1666 HydrophobicContact CD2-CG2 3.71Å
1343V86.7Confident84.1Confident1 Ų129.2 Ų29.21%0.00615%0.147CC..EExtended strand (participates in β ladder)trans-150.7136.8-176.7-165.10000110.6A1347 L1348 V1376 C1650 I1651V1343-A1347 HydrophobicContact CG1-CB 3.76Å; V1343-L1348 HydrophobicContact CG1-CB 4.03Å; V1343-L1348 HydrophobicContact CG1-CD1 3.87Å; V1343-L1348 HydrophobicContact CG1-CG 3.87Å; V1343-V1376 HydrophobicContact CG2-CG1 4.44Å; V1343-C1650 WeakPolarHBondContact O-CA 3.39Å; V1343-I1651 PolarHBondContact N-O 3.02Å; V1343-I1651 PolarHBondContact O-N 3.48Å
1344D85.8Confident85.7Confident5 Ų525.8 Ų25.83%0.02713%0.132CC..EExtended strand (participates in β ladder)trans-103.2167.5171.193.9-30000112.7S1346 A1347 L1348 K1648 C1650D1344-S1346 VanDerWaalsContact CG-N 3.3Å; D1344-S1346 VanDerWaalsContact CG-OG 3.31Å; D1344-S1346 PolarHBondContact O-N 3.22Å; D1344-S1346 VanDerWaalsContact O-N 3.09Å; D1344-S1346 VanDerWaalsContact OD1-CA 3.31Å; D1344-S1346 WeakPolarHBondContact OD1-CA 3.47Å; D1344-S1346 WeakPolarHBondContact OD1-CB 3.36Å; D1344-S1346 PolarHBondContact OD1-N 3.39Å; D1344-S1346 PolarHBondContact OD1-OG 3.49Å; D1344-S1346 WeakPolarHBondContact OD2-CB 3.49Å; D1344-S1346 PolarHBondContact OD2-OG 2.83Å; D1344-A1347 PolarHBondContact O-N 3.23Å; D1344-A1347 PolarHBondContact OD1-N 2.98Å; D1344-L1348 PolarHBondContact O-N 3.34Å; D1344-L1348 VanDerWaalsContact O-N 3.09Å; D1344-K1648 VanDerWaalsContact OD2-CD 3.23Å; D1344-K1648 WeakPolarHBondContact OD2-CD 3.48Å; D1344-K1648 IonicContact OD2-NZ 2.68Å; D1344-K1648 PolarHBondContact OD2-NZ 2.97Å; D1344-C1650 HydrophobicContact CB-CB 4.45Å; D1344-C1650 VanDerWaalsContact CB-SG 3.55Å
1345Q86.9Confident86.8Confident63 Ų6323.6 Ų23.629%0.29412%0.123SC..THydrogen-bonded Turntrans-63.2-8.8175.174.7-17725.700114.7P1349 K1648 M1649Q1345-P1349 WeakPolarHBondContact O-CA 3.43Å; Q1345-K1648 HydrophobicContact CG-CB 4.01Å; Q1345-K1648 HydrophobicContact CG-CD 4.33Å; Q1345-K1648 HydrophobicContact CG-CG 4.37Å; Q1345-M1649 WeakPolarHBondContact CB-O 3.31Å; Q1345-M1649 PolarHBondContact N-O 3.48Å
1346S82.7Confident87.6Confident76 Ų7622.8 Ų22.853%0.53112%0.121SC..THydrogen-bonded Turntrans-84.2-34176-37.60000110.9D1344 K1648D1344-S1346 VanDerWaalsContact CG-N 3.3Å; D1344-S1346 VanDerWaalsContact CG-OG 3.31Å; D1344-S1346 PolarHBondContact O-N 3.22Å; D1344-S1346 VanDerWaalsContact O-N 3.09Å; D1344-S1346 VanDerWaalsContact OD1-CA 3.31Å; D1344-S1346 WeakPolarHBondContact OD1-CA 3.47Å; D1344-S1346 WeakPolarHBondContact OD1-CB 3.36Å; D1344-S1346 PolarHBondContact OD1-N 3.39Å; D1344-S1346 PolarHBondContact OD1-OG 3.49Å; D1344-S1346 WeakPolarHBondContact OD2-CB 3.49Å; D1344-S1346 PolarHBondContact OD2-OG 2.83Å; S1346-K1648 PolarHBondContact OG-NZ 3.37Å
1347A81.1Confident87.9Confident22 Ų2223.1 Ų23.118%0.18212%0.123CC..THydrogen-bonded Turntrans-76.6-47171.400000112V1343 D1344V1343-A1347 HydrophobicContact CG1-CB 3.76Å; D1344-A1347 PolarHBondContact O-N 3.23Å; D1344-A1347 PolarHBondContact OD1-N 2.98Å
1348L84Confident88Confident1 Ų123.3 Ų23.31%0.00513%0.125CC..  trans-130.696.4-179.4-66.5-179.6000111.4V1343 D1344 F1350 V1351 V1376 Q1381 A1383 L1688V1343-L1348 HydrophobicContact CG1-CB 4.03Å; V1343-L1348 HydrophobicContact CG1-CD1 3.87Å; V1343-L1348 HydrophobicContact CG1-CG 3.87Å; D1344-L1348 PolarHBondContact O-N 3.34Å; D1344-L1348 VanDerWaalsContact O-N 3.09Å; L1348-F1350 VanDerWaalsContact C-N 3.3Å; L1348-F1350 HydrophobicContact CB-CE1 4Å; L1348-F1350 HydrophobicContact CB-CE2 4.28Å; L1348-F1350 HydrophobicContact CB-CZ 3.79Å; L1348-F1350 HydrophobicContact CD1-CE2 4.41Å; L1348-F1350 HydrophobicContact CD1-CZ 3.87Å; L1348-F1350 HydrophobicContact CD2-CE1 3.94Å; L1348-F1350 HydrophobicContact CD2-CZ 3.87Å; L1348-F1350 HydrophobicContact CG-CE1 4.42Å; L1348-F1350 HydrophobicContact CG-CZ 4.05Å; L1348-F1350 PolarHBondContact O-N 3.08Å; L1348-F1350 VanDerWaalsContact O-N 3.12Å; L1348-V1351 HydrophobicContact CB-CG2 3.86Å; L1348-V1351 VanDerWaalsContact O-CB 3.25Å; L1348-V1351 WeakPolarHBondContact O-CB 3.26Å; L1348-V1351 VanDerWaalsContact O-CG2 3.25Å; L1348-V1351 WeakPolarHBondContact O-CG2 3.38Å; L1348-V1351 PolarHBondContact O-N 3.36Å; L1348-V1376 HydrophobicContact CD1-CG1 3.66Å; L1348-V1376 HydrophobicContact CD1-CG2 4.2Å; L1348-Q1381 WeakPolarHBondContact CD2-O 3.38Å; L1348-A1383 HydrophobicContact CD1-CB 4.32Å; L1348-A1383 HydrophobicContact CD2-CB 4.23Å; L1348-L1688 HydrophobicContact CD2-CD2 4.02Å
1349P83Confident88.2Confident38 Ų3823 Ų2325%0.24713%0.125CC..G310 helixtrans-55.8-32.9-172.1-32.138.2000116.5Q1345 V1351 R1352 S1691Q1345-P1349 WeakPolarHBondContact O-CA 3.43Å; P1349-V1351 PolarHBondContact O-N 2.93Å; P1349-R1352 VanDerWaalsContact O-CD 3.27Å; P1349-R1352 WeakPolarHBondContact O-CD 3.42Å; P1349-R1352 VanDerWaalsContact O-CG 3.25Å; P1349-R1352 WeakPolarHBondContact O-CG 3.5Å; P1349-R1352 PolarHBondContact O-N 2.9Å; P1349-S1691 WeakPolarHBondContact CB-OG 3.45Å
1350F82.4Confident88.2Confident1 Ų124.1 Ų24.10%0.00413%0.132CC..G310 helixtrans-72.6-5.717857.1-94.2000113.8L1348 R1352 T1353 A1354 L1367 F1374 V1376 A1383 V1689L1348-F1350 VanDerWaalsContact C-N 3.3Å; L1348-F1350 HydrophobicContact CB-CE1 4Å; L1348-F1350 HydrophobicContact CB-CE2 4.28Å; L1348-F1350 HydrophobicContact CB-CZ 3.79Å; L1348-F1350 HydrophobicContact CD1-CE2 4.41Å; L1348-F1350 HydrophobicContact CD1-CZ 3.87Å; L1348-F1350 HydrophobicContact CD2-CE1 3.94Å; L1348-F1350 HydrophobicContact CD2-CZ 3.87Å; L1348-F1350 HydrophobicContact CG-CE1 4.42Å; L1348-F1350 HydrophobicContact CG-CZ 4.05Å; L1348-F1350 PolarHBondContact O-N 3.08Å; L1348-F1350 VanDerWaalsContact O-N 3.12Å; F1350-R1352 PolarHBondContact O-N 3.21Å; F1350-R1352 VanDerWaalsContact O-N 3.15Å; F1350-T1353 PolarHBondContact O-N 2.87Å; F1350-T1353 PolarHBondContact O-OG1 3.41Å; F1350-T1353 VanDerWaalsContact O-OG1 3.05Å; F1350-A1354 PolarHBondContact O-N 3.12Å; F1350-L1367 HydrophobicContact CD2-CD2 3.97Å; F1350-L1367 HydrophobicContact CE2-CD2 3.86Å; F1350-F1374 HydrophobicContact CB-CE2 4.5Å; F1350-F1374 HydrophobicContact CD1-CE1 4.44Å; F1350-F1374 HydrophobicContact CD1-CZ 4.36Å; F1350-F1374 HydrophobicContact CD2-CD2 4.01Å; F1350-F1374 HydrophobicContact CD2-CE2 4.09Å; F1350-F1374 HydrophobicContact CD2-CG 4.36Å; F1350-F1374 HydrophobicContact CE1-CE1 4.42Å; F1350-F1374 HydrophobicContact CE2-CB 4.39Å; F1350-F1374 HydrophobicContact CE2-CD1 4.4Å; F1350-F1374 HydrophobicContact CE2-CD2 4.16Å; F1350-F1374 HydrophobicContact CE2-CG 4.06Å; F1350-F1374 HydrophobicContact CG-CE2 4.16Å; F1350-F1374 HydrophobicContact CG-CZ 4.23Å; F1350-F1374 HydrophobicContact CZ-CD1 4.27Å; F1350-F1374 HydrophobicContact CZ-CG 4.37Å; F1350-V1376 HydrophobicContact CE2-CG2 4.47Å; F1350-A1383 HydrophobicContact CE1-CB 4.18Å; F1350-A1383 HydrophobicContact CE2-CB 4.43Å; F1350-A1383 HydrophobicContact CZ-CB 3.5Å; F1350-A1383 VanDerWaalsContact CZ-CB 3.5Å; F1350-V1689 HydrophobicContact CD1-CB 4Å; F1350-V1689 HydrophobicContact CD1-CG1 4.38Å; F1350-V1689 HydrophobicContact CE1-CB 4.3Å
1351V86.7Confident88.2Confident1 Ų124.4 Ų24.41%0.00614%0.137CC..G310 helixtrans-53.3-33.2169163.40000111.1L1348 P1349 T1353 A1354 L1642 M1649 I1651L1348-V1351 HydrophobicContact CB-CG2 3.86Å; L1348-V1351 VanDerWaalsContact O-CB 3.25Å; L1348-V1351 WeakPolarHBondContact O-CB 3.26Å; L1348-V1351 VanDerWaalsContact O-CG2 3.25Å; L1348-V1351 WeakPolarHBondContact O-CG2 3.38Å; L1348-V1351 PolarHBondContact O-N 3.36Å; P1349-V1351 PolarHBondContact O-N 2.93Å; V1351-T1353 PolarHBondContact O-N 3.25Å; V1351-A1354 VanDerWaalsContact O-CB 3.25Å; V1351-A1354 WeakPolarHBondContact O-CB 3.46Å; V1351-A1354 PolarHBondContact O-N 3.41Å; V1351-L1642 HydrophobicContact CG1-CD1 3.72Å; V1351-L1642 WeakPolarHBondContact O-CD1 3.23Å; V1351-M1649 HydrophobicContact CG1-CB 4.33Å; V1351-I1651 HydrophobicContact CG1-CD1 4.39Å; V1351-I1651 HydrophobicContact CG1-CG1 3.88Å; V1351-I1651 HydrophobicContact CG2-CD1 4.05Å; V1351-I1651 HydrophobicContact CG2-CG1 4.32Å
1352R87.9Confident88.2Confident99 Ų9927.2 Ų27.237%0.37415%0.149SC..G310 helixtrans-63.4-21.6176.979.8-164.6-174.2143.90.1114.7P1349 F1350 M1649 E1693P1349-R1352 VanDerWaalsContact O-CD 3.27Å; P1349-R1352 WeakPolarHBondContact O-CD 3.42Å; P1349-R1352 VanDerWaalsContact O-CG 3.25Å; P1349-R1352 WeakPolarHBondContact O-CG 3.5Å; P1349-R1352 PolarHBondContact O-N 2.9Å; F1350-R1352 PolarHBondContact O-N 3.21Å; F1350-R1352 VanDerWaalsContact O-N 3.15Å; R1352-M1649 HydrophobicContact CB-CB 4.49Å; R1352-M1649 HydrophobicContact CB-CG 4.31Å; R1352-E1693 IonicContact CZ-OE1 2.7Å; R1352-E1693 IonicContact NH1-OE1 2.7Å; R1352-E1693 PolarHBondContact NH1-OE1 3.03Å; R1352-E1693 IonicContact NH1-OE2 2.78Å; R1352-E1693 IonicContact NH2-OE1 2.69Å
1353T89.5Confident88.2Confident24 Ų2429.9 Ų29.915%0.14716%0.163CC..G310 helixtrans-108.813.8179.658.30000112.5F1350 V1351 L1355 S1369 E1370 E1371F1350-T1353 PolarHBondContact O-N 2.87Å; F1350-T1353 PolarHBondContact O-OG1 3.41Å; F1350-T1353 VanDerWaalsContact O-OG1 3.05Å; V1351-T1353 PolarHBondContact O-N 3.25Å; T1353-L1355 PolarHBondContact O-N 3.03Å; T1353-S1369 CarbonylContact O-C 3.38Å; T1353-S1369 WeakPolarHBondContact O-CA 3.39Å; T1353-S1369 WeakPolarHBondContact O-CB 3.44Å; T1353-E1370 HydrophobicContact CG2-CB 4.48Å; T1353-E1370 PolarHBondContact O-N 3.07Å; T1353-E1371 WeakPolarHBondContact CG2-OE1 3.46Å; T1353-E1371 PolarHBondContact OG1-OE1 2.78Å
1354A92Very high88.5Confident5 Ų533.5 Ų33.54%0.04118%0.177CC..EExtended strand (participates in β ladder)trans-62.7128.6178.600000112.9F1350 V1351 L1367 L1634 L1642F1350-A1354 PolarHBondContact O-N 3.12Å; V1351-A1354 VanDerWaalsContact O-CB 3.25Å; V1351-A1354 WeakPolarHBondContact O-CB 3.46Å; V1351-A1354 PolarHBondContact O-N 3.41Å; A1354-L1367 HydrophobicContact CB-CD1 3.89Å; A1354-L1367 HydrophobicContact CB-CD2 4.22Å; A1354-L1367 HydrophobicContact CB-CG 4.29Å; A1354-L1634 HydrophobicContact CB-CD1 4.44Å; A1354-L1634 HydrophobicContact CB-CD2 4.1Å; A1354-L1642 HydrophobicContact CB-CD1 4.28Å; A1354-L1642 HydrophobicContact CB-CD2 4.24Å
1355L91.2Very high88.9Confident25 Ų2533.3 Ų33.313%0.13118%0.176CC..EExtended strand (participates in β ladder)trans-111.5-37.6-178-65.5-172.3000113.6T1353 G1368 E1370 R1391 V1392 E1393 K1632T1353-L1355 PolarHBondContact O-N 3.03Å; L1355-G1368 PolarHBondContact N-O 2.83Å; L1355-E1370 HydrophobicContact CD1-CG 3.99Å; L1355-E1370 HydrophobicContact CD2-CG 4.13Å; L1355-E1370 HydrophobicContact CG-CG 4.09Å; L1355-R1391 HydrophobicContact CD1-CG 4.04Å; L1355-V1392 WeakPolarHBondContact CB-O 3.39Å; L1355-V1392 WeakPolarHBondContact CD1-O 3.47Å; L1355-E1393 HydrophobicContact CD1-CG 4.09Å; L1355-K1632 WeakPolarHBondContact O-CE 3.46Å; L1355-K1632 PolarHBondContact O-NZ 3.1Å
1356C92.7Very high89.2Confident11 Ų1130.3 Ų30.37%0.07416%0.162CC..EExtended strand (participates in β ladder)trans-160.8165.8-176.655.80000110.6G1368 A1394C1356-G1368 PolarHBondContact N-O 3.32Å; C1356-G1368 PolarHBondContact O-N 2.89Å; C1356-A1394 WeakPolarHBondContact SG-CA 3.37Å
1357T94.3Very high89.8Confident6 Ų626.7 Ų26.74%0.03714%0.136CC..EExtended strand (participates in β ladder)trans-146.7163.9173.3-163.20000112.7F1365 L1366 L1634 L1635 L1640T1357-F1365 VanDerWaalsContact OG1-CD2 3.28Å; T1357-F1365 WeakPolarHBondContact OG1-CD2 3.12Å; T1357-L1366 CarbonylContact C-O 3.51Å; T1357-L1366 WeakPolarHBondContact CA-O 3.31Å; T1357-L1366 VanDerWaalsContact CB-O 3.31Å; T1357-L1366 WeakPolarHBondContact CB-O 3.39Å; T1357-L1366 PolarHBondContact OG1-O 2.95Å; T1357-L1634 HydrophobicContact CG2-CB 3.46Å; T1357-L1634 VanDerWaalsContact CG2-CB 3.46Å; T1357-L1634 PolarHBondContact N-O 2.94Å; T1357-L1635 HydrophobicContact CG2-CD2 3.73Å; T1357-L1635 HydrophobicContact CG2-CG 3.61Å; T1357-L1635 WeakPolarHBondContact O-CD2 3.26Å; T1357-L1640 HydrophobicContact CG2-CB 3.96Å; T1357-L1640 HydrophobicContact CG2-CD1 3.79Å; T1357-L1640 HydrophobicContact CG2-CG 4.48Å
1358A93.8Very high90.3Very high8 Ų825.6 Ų25.67%0.06613%0.128CC..EExtended strand (participates in β ladder)trans-141.4133.3166.400000109.6L1366 I1395A1358-L1366 PolarHBondContact N-O 2.84Å; A1358-L1366 PolarHBondContact O-N 3.22Å; A1358-I1395 HydrophobicContact CB-CB 4.41Å; A1358-I1395 HydrophobicContact CB-CG2 3.7Å
1359V92.6Very high90.6Very high32 Ų3225.6 Ų25.619%0.19413%0.127CC..EExtended strand (participates in β ladder)trans-79.1138.4-179.8173.20000110D1361 F1365 Y1397 L1635 L1640 V1663 M1664V1359-D1361 WeakPolarHBondContact CG1-O 3.31Å; V1359-F1365 HydrophobicContact CG2-CB 4.35Å; V1359-Y1397 WeakPolarHBondContact O-CD1 3.31Å; V1359-L1635 HydrophobicContact CG2-CD1 3.98Å; V1359-L1635 HydrophobicContact CG2-CD2 4.38Å; V1359-L1640 HydrophobicContact CG2-CD1 3.9Å; V1359-V1663 HydrophobicContact CB-CG1 4.49Å; V1359-V1663 HydrophobicContact CG1-CG1 4.33Å; V1359-V1663 HydrophobicContact CG2-CG1 3.99Å; V1359-M1664 HydrophobicContact CB-SD 4.43Å; V1359-M1664 HydrophobicContact CG1-SD 3.7Å; V1359-M1664 HydrophobicContact CG2-CG 4.44Å; V1359-M1664 HydrophobicContact CG2-SD 3.9Å
1360V91.9Very high90.9Very high24 Ų2427.7 Ų27.715%0.14513%0.134CC..EExtended strand (participates in β ladder)trans-101.2-46.9178.4178.60000110.3R1364 L1366 L1441V1360-R1364 HydrophobicContact CB-CB 4.42Å; V1360-R1364 WeakPolarHBondContact CB-O 3.32Å; V1360-R1364 PolarHBondContact N-O 2.98Å; V1360-L1366 HydrophobicContact CG2-CD1 3.87Å; V1360-L1366 HydrophobicContact CG2-CG 3.75Å; V1360-L1441 HydrophobicContact CG1-CD1 3.91Å; V1360-L1441 HydrophobicContact CG2-CD1 4.31Å
1361D90Very high90.9Very high52 Ų5230 Ų3028%0.27815%0.145SC..EExtended strand (participates in β ladder)trans-156.9179.6175.357.158.7000109.2V1359 D1363 R1364V1359-D1361 WeakPolarHBondContact CG1-O 3.31Å; D1361-D1363 PolarHBondContact O-N 3.16Å; D1361-D1363 VanDerWaalsContact O-N 3.09Å; D1361-D1363 PolarHBondContact OD1-N 3.18Å; D1361-R1364 PolarHBondContact N-O 2.72Å; D1361-R1364 PolarHBondContact O-N 2.94Å; D1361-R1364 VanDerWaalsContact O-O 3.09Å; D1361-R1364 WeakPolarHBondContact OD1-CB 3.17Å; D1361-R1364 PolarHBondContact OD1-N 3.01Å; D1361-R1364 IonicContact OD1-NE 2.69Å; D1361-R1364 IonicContact OD2-CZ 2.78Å; D1361-R1364 IonicContact OD2-NE 3.25Å; D1361-R1364 PolarHBondContact OD2-NE 3.35Å; D1361-R1364 IonicContact OD2-NH2 3.12Å; D1361-R1364 PolarHBondContact OD2-NH2 3.08Å
1362K89.3Confident91Very high77 Ų7729.9 Ų29.934%0.33514%0.144SC..THydrogen-bonded Turntrans-62.4-16-175.9-72.7-168.1178.8178.50115D1661 M1664 N1665K1362-D1661 IonicContact NZ-OD1 2.74Å; K1362-D1661 PolarHBondContact NZ-OD1 2.94Å; K1362-D1661 IonicContact NZ-OD2 2.91Å; K1362-D1661 PolarHBondContact NZ-OD2 3.37Å; K1362-M1664 CarbonylContact O-C 3.55Å; K1362-M1664 WeakPolarHBondContact O-CA 3.4Å; K1362-M1664 WeakPolarHBondContact O-CE 3.49Å; K1362-N1665 PolarHBondContact O-N 3.19Å
1363D88.5Confident91.2Very high56 Ų5625.2 Ų25.230%0.29913%0.126SC..THydrogen-bonded Turntrans-110.5-13.2-179.7-65.6-40.2000113D1361 V1378 N1379 N1665D1361-D1363 PolarHBondContact O-N 3.16Å; D1361-D1363 VanDerWaalsContact O-N 3.09Å; D1361-D1363 PolarHBondContact OD1-N 3.18Å; D1363-V1378 PolarHBondContact O-N 3.38Å; D1363-N1379 PolarHBondContact OD1-ND2 2.91Å; D1363-N1665 WeakPolarHBondContact OD1-CB 3.49Å; D1363-N1665 PolarHBondContact OD1-ND2 3.47Å
1364R91.8Very high91.3Very high77 Ų7724.1 Ų24.129%0.29112%0.12SC..EExtended strand (participates in β ladder)trans-133.4132.6-171.2-57.8-174.8-64.4170.43.2114.3V1360 D1361 V1376 E1377V1360-R1364 HydrophobicContact CB-CB 4.42Å; V1360-R1364 WeakPolarHBondContact CB-O 3.32Å; V1360-R1364 PolarHBondContact N-O 2.98Å; D1361-R1364 PolarHBondContact N-O 2.72Å; D1361-R1364 PolarHBondContact O-N 2.94Å; D1361-R1364 VanDerWaalsContact O-O 3.09Å; D1361-R1364 WeakPolarHBondContact OD1-CB 3.17Å; D1361-R1364 PolarHBondContact OD1-N 3.01Å; D1361-R1364 IonicContact OD1-NE 2.69Å; D1361-R1364 IonicContact OD2-CZ 2.78Å; D1361-R1364 IonicContact OD2-NE 3.25Å; D1361-R1364 PolarHBondContact OD2-NE 3.35Å; D1361-R1364 IonicContact OD2-NH2 3.12Å; D1361-R1364 PolarHBondContact OD2-NH2 3.08Å; R1364-V1376 VanDerWaalsContact CA-O 3.29Å; R1364-V1376 WeakPolarHBondContact CA-O 3.04Å; R1364-E1377 HydrophobicContact CG-CG 4.1Å
1365F94.4Very high91.3Very high1 Ų124.2 Ų24.20%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-132.5147.717364.9-97.6000113T1357 V1359 L1367 C1375 V1376 V1378 L1640 I1651 M1664T1357-F1365 VanDerWaalsContact OG1-CD2 3.28Å; T1357-F1365 WeakPolarHBondContact OG1-CD2 3.12Å; V1359-F1365 HydrophobicContact CG2-CB 4.35Å; F1365-L1367 HydrophobicContact CD2-CB 4.27Å; F1365-L1367 HydrophobicContact CE2-CB 4.08Å; F1365-L1367 HydrophobicContact CE2-CD1 4.14Å; F1365-C1375 CarbonylContact O-C 3.6Å; F1365-C1375 WeakPolarHBondContact O-CA 3.18Å; F1365-V1376 HydrophobicContact CD1-CB 4.34Å; F1365-V1376 HydrophobicContact CD2-CB 4.06Å; F1365-V1376 HydrophobicContact CD2-CG2 4.24Å; F1365-V1376 HydrophobicContact CE1-CB 4Å; F1365-V1376 HydrophobicContact CE1-CG1 3.87Å; F1365-V1376 HydrophobicContact CE2-CB 3.68Å; F1365-V1376 HydrophobicContact CE2-CG1 4.17Å; F1365-V1376 HydrophobicContact CE2-CG2 3.67Å; F1365-V1376 HydrophobicContact CG-CB 4.39Å; F1365-V1376 HydrophobicContact CZ-CB 3.66Å; F1365-V1376 HydrophobicContact CZ-CG1 3.63Å; F1365-V1376 HydrophobicContact CZ-CG2 3.99Å; F1365-V1376 PolarHBondContact N-O 3.39Å; F1365-V1376 VanDerWaalsContact N-O 3.13Å; F1365-V1376 PolarHBondContact O-N 2.93Å; F1365-V1378 HydrophobicContact CD1-CG2 4.02Å; F1365-V1378 HydrophobicContact CE1-CG2 3.72Å; F1365-L1640 HydrophobicContact CB-CD1 4.23Å; F1365-L1640 HydrophobicContact CD1-CD1 4.22Å; F1365-L1640 HydrophobicContact CG-CD1 4.1Å; F1365-I1651 HydrophobicContact CE2-CD1 4.05Å; F1365-I1651 HydrophobicContact CZ-CD1 4Å; F1365-M1664 HydrophobicContact CD1-CE 3.8Å; F1365-M1664 HydrophobicContact CD1-SD 4.49Å
1366L94.6Very high91.4Very high0 Ų023 Ų230%011%0.114CC..EExtended strand (participates in β ladder)trans-86.1119.4173.3-72.1165000110.2T1357 A1358 V1360 L1373 F1374 C1375 I1386 I1404 L1441T1357-L1366 CarbonylContact C-O 3.51Å; T1357-L1366 WeakPolarHBondContact CA-O 3.31Å; T1357-L1366 VanDerWaalsContact CB-O 3.31Å; T1357-L1366 WeakPolarHBondContact CB-O 3.39Å; T1357-L1366 PolarHBondContact OG1-O 2.95Å; A1358-L1366 PolarHBondContact N-O 2.84Å; A1358-L1366 PolarHBondContact O-N 3.22Å; V1360-L1366 HydrophobicContact CG2-CD1 3.87Å; V1360-L1366 HydrophobicContact CG2-CG 3.75Å; L1366-L1373 HydrophobicContact CB-CD1 4.46Å; L1366-L1373 HydrophobicContact CD2-CD1 4.43Å; L1366-F1374 CarbonylContact C-O 3.59Å; L1366-F1374 WeakPolarHBondContact CA-O 3.4Å; L1366-C1375 HydrophobicContact CD2-CB 4.05Å; L1366-I1386 HydrophobicContact CD2-CD1 3.49Å; L1366-I1386 VanDerWaalsContact CD2-CD1 3.49Å; L1366-I1404 HydrophobicContact CD1-CD1 3.62Å; L1366-I1404 HydrophobicContact CD1-CG1 3.75Å; L1366-I1404 HydrophobicContact CD1-CG2 3.96Å; L1366-I1404 HydrophobicContact CD2-CD1 4.43Å; L1366-L1441 HydrophobicContact CD2-CD2 3.85Å; L1366-L1441 HydrophobicContact CG-CD2 4.49Å
1367L94.1Very high91.2Very high0 Ų023.8 Ų23.80%012%0.116CC..EExtended strand (participates in β ladder)trans-105.9120.8178.3-168.168.6000110.6F1350 A1354 F1365 F1374 V1376 L1634 I1651F1350-L1367 HydrophobicContact CD2-CD2 3.97Å; F1350-L1367 HydrophobicContact CE2-CD2 3.86Å; A1354-L1367 HydrophobicContact CB-CD1 3.89Å; A1354-L1367 HydrophobicContact CB-CD2 4.22Å; A1354-L1367 HydrophobicContact CB-CG 4.29Å; F1365-L1367 HydrophobicContact CD2-CB 4.27Å; F1365-L1367 HydrophobicContact CE2-CB 4.08Å; F1365-L1367 HydrophobicContact CE2-CD1 4.14Å; L1367-F1374 HydrophobicContact CB-CB 4.41Å; L1367-F1374 PolarHBondContact N-O 3.43Å; L1367-F1374 PolarHBondContact O-N 3.48Å; L1367-V1376 HydrophobicContact CB-CG2 4.17Å; L1367-V1376 HydrophobicContact CD2-CG2 4.48Å; L1367-L1634 HydrophobicContact CD1-CD1 4.01Å; L1367-I1651 HydrophobicContact CD1-CD1 3.93Å; L1367-I1651 HydrophobicContact CD2-CD1 4.08Å
1368G92.3Very high90.7Very high0 Ų023.5 Ų23.50%012%0.115CC..EExtended strand (participates in β ladder)trans-93.5132.3169.900000109.7L1355 C1356 I1395L1355-G1368 PolarHBondContact N-O 2.83Å; C1356-G1368 PolarHBondContact N-O 3.32Å; C1356-G1368 PolarHBondContact O-N 2.89Å; G1368-I1395 VanDerWaalsContact N-CD1 3.28Å
1369S90.5Very high90.1Very high0 Ų027.6 Ų27.60%014%0.135CC..EExtended strand (participates in β ladder)trans-137.2178.3-175.266.50000111.5T1353 E1371 G1372 F1374 R1391 V1392T1353-S1369 CarbonylContact O-C 3.38Å; T1353-S1369 WeakPolarHBondContact O-CA 3.39Å; T1353-S1369 WeakPolarHBondContact O-CB 3.44Å; S1369-E1371 PolarHBondContact O-N 3.12Å; S1369-E1371 PolarHBondContact OG-N 2.78Å; S1369-G1372 PolarHBondContact N-O 2.88Å; S1369-G1372 PolarHBondContact OG-N 3.21Å; S1369-G1372 PolarHBondContact OG-O 2.69Å; S1369-F1374 WeakPolarHBondContact OG-CE2 3.38Å; S1369-R1391 WeakPolarHBondContact O-CA 3.08Å; S1369-V1392 PolarHBondContact O-N 2.83Å
1370E87.7Confident89.4Confident82 Ų8234.9 Ų34.938%0.38316%0.159SC..SBendtrans-67.7-24.6168.1-52.8-158.5148.600112.8T1353 L1355 R1391T1353-E1370 HydrophobicContact CG2-CB 4.48Å; T1353-E1370 PolarHBondContact O-N 3.07Å; L1355-E1370 HydrophobicContact CD1-CG 3.99Å; L1355-E1370 HydrophobicContact CD2-CG 4.13Å; L1355-E1370 HydrophobicContact CG-CG 4.09Å; E1370-R1391 IonicContact OE1-CZ 3.11Å; E1370-R1391 IonicContact OE1-NH1 3.07Å; E1370-R1391 PolarHBondContact OE1-NH1 2.87Å; E1370-R1391 IonicContact OE1-NH2 3.6Å; E1370-R1391 PolarHBondContact OE1-NH2 2.87Å; E1370-R1391 IonicContact OE2-NH1 3.34Å
1371E82.9Confident88.8Confident49 Ų4936.4 Ų36.423%0.22917%0.165CC..SBendtrans-88.8-22.7-176.4-65.7169.9-133.400113.3T1353 S1369 F1374 S1389T1353-E1371 WeakPolarHBondContact CG2-OE1 3.46Å; T1353-E1371 PolarHBondContact OG1-OE1 2.78Å; S1369-E1371 PolarHBondContact O-N 3.12Å; S1369-E1371 PolarHBondContact OG-N 2.78Å; E1371-F1374 HydrophobicContact CB-CE2 4.4Å; E1371-S1389 CarbonylContact O-C 3.57Å; E1371-S1389 WeakPolarHBondContact O-CA 3.37Å
1372G88.9Confident88.4Confident0 Ų034.3 Ų34.30%016%0.155CC..  trans154.6-164.4179.100000114.5S1369S1369-G1372 PolarHBondContact N-O 2.88Å; S1369-G1372 PolarHBondContact OG-N 3.21Å; S1369-G1372 PolarHBondContact OG-O 2.69Å
1373L91.8Very high88.3Confident0 Ų030.7 Ų30.70%014%0.139CC..EExtended strand (participates in β ladder)trans-98136.2170.3-177.763.9000110.1L1366 R1385 I1386 V1392 I1395 I1406 I1436 W1448L1366-L1373 HydrophobicContact CB-CD1 4.46Å; L1366-L1373 HydrophobicContact CD2-CD1 4.43Å; L1373-R1385 WeakPolarHBondContact O-CG 3.44Å; L1373-I1386 HydrophobicContact CB-CB 4.33Å; L1373-I1386 HydrophobicContact CD2-CB 4.01Å; L1373-I1386 HydrophobicContact CD2-CD1 4.39Å; L1373-I1386 HydrophobicContact CD2-CG2 4.04Å; L1373-I1386 HydrophobicContact CG-CB 4.07Å; L1373-I1386 HydrophobicContact CG-CD1 4.43Å; L1373-I1386 PolarHBondContact O-N 3.08Å; L1373-V1392 HydrophobicContact CB-CG2 4.17Å; L1373-I1395 HydrophobicContact CD1-CD1 3.47Å; L1373-I1395 VanDerWaalsContact CD1-CD1 3.47Å; L1373-I1395 HydrophobicContact CD1-CG1 4.22Å; L1373-I1406 HydrophobicContact CD2-CG2 4.47Å; L1373-I1436 HydrophobicContact CD2-CD1 3.98Å; L1373-W1448 HydrophobicContact CD2-CZ2 4.46Å
1374F92.1Very high88.2Confident2 Ų230 Ų301%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-130.8150.9177.9-63.6-86.5000110.8F1350 L1366 L1367 S1369 E1371 A1383 I1384 R1385 V1689F1350-F1374 HydrophobicContact CB-CE2 4.5Å; F1350-F1374 HydrophobicContact CD1-CE1 4.44Å; F1350-F1374 HydrophobicContact CD1-CZ 4.36Å; F1350-F1374 HydrophobicContact CD2-CD2 4.01Å; F1350-F1374 HydrophobicContact CD2-CE2 4.09Å; F1350-F1374 HydrophobicContact CD2-CG 4.36Å; F1350-F1374 HydrophobicContact CE1-CE1 4.42Å; F1350-F1374 HydrophobicContact CE2-CB 4.39Å; F1350-F1374 HydrophobicContact CE2-CD1 4.4Å; F1350-F1374 HydrophobicContact CE2-CD2 4.16Å; F1350-F1374 HydrophobicContact CE2-CG 4.06Å; F1350-F1374 HydrophobicContact CG-CE2 4.16Å; F1350-F1374 HydrophobicContact CG-CZ 4.23Å; F1350-F1374 HydrophobicContact CZ-CD1 4.27Å; F1350-F1374 HydrophobicContact CZ-CG 4.37Å; L1366-F1374 CarbonylContact C-O 3.59Å; L1366-F1374 WeakPolarHBondContact CA-O 3.4Å; L1367-F1374 HydrophobicContact CB-CB 4.41Å; L1367-F1374 PolarHBondContact N-O 3.43Å; L1367-F1374 PolarHBondContact O-N 3.48Å; S1369-F1374 WeakPolarHBondContact OG-CE2 3.38Å; E1371-F1374 HydrophobicContact CB-CE2 4.4Å; F1374-A1383 HydrophobicContact CD1-CB 4.44Å; F1374-I1384 CarbonylContact C-O 3.6Å; F1374-I1384 WeakPolarHBondContact CA-O 2.87Å; F1374-R1385 HydrophobicContact CD1-CB 3.76Å; F1374-R1385 HydrophobicContact CD1-CG 3.87Å; F1374-R1385 HydrophobicContact CE1-CB 3.6Å; F1374-R1385 HydrophobicContact CE1-CG 3.48Å; F1374-R1385 VanDerWaalsContact CE1-CG 3.48Å; F1374-R1385 HydrophobicContact CZ-CG 3.97Å; F1374-V1689 HydrophobicContact CE1-CB 4.3Å; F1374-V1689 HydrophobicContact CE1-CG2 3.59Å; F1374-V1689 HydrophobicContact CZ-CG2 4.03Å
1375C93Very high88.1Confident6 Ų630.1 Ų30.14%0.04114%0.135CC..EExtended strand (participates in β ladder)trans-105.2123.8158.2-176.70000107.8F1365 L1366 A1383 I1384 I1386F1365-C1375 CarbonylContact O-C 3.6Å; F1365-C1375 WeakPolarHBondContact O-CA 3.18Å; L1366-C1375 HydrophobicContact CD2-CB 4.05Å; C1375-A1383 CarbonylContact O-C 3.56Å; C1375-A1383 WeakPolarHBondContact O-CA 3.46Å; C1375-I1384 HydrophobicContact CB-CB 4.43Å; C1375-I1384 PolarHBondContact N-O 3.48Å; C1375-I1384 PolarHBondContact O-N 2.89Å; C1375-I1386 HydrophobicContact CB-CD1 4.07Å
1376V91.3Very high87.7Confident1 Ų130.4 Ų30.41%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-103.5128.5-179.3179.30000108.9V1343 L1348 F1350 R1364 F1365 L1367 A1382 A1383V1343-V1376 HydrophobicContact CG2-CG1 4.44Å; L1348-V1376 HydrophobicContact CD1-CG1 3.66Å; L1348-V1376 HydrophobicContact CD1-CG2 4.2Å; F1350-V1376 HydrophobicContact CE2-CG2 4.47Å; R1364-V1376 VanDerWaalsContact CA-O 3.29Å; R1364-V1376 WeakPolarHBondContact CA-O 3.04Å; F1365-V1376 HydrophobicContact CD1-CB 4.34Å; F1365-V1376 HydrophobicContact CD2-CB 4.06Å; F1365-V1376 HydrophobicContact CD2-CG2 4.24Å; F1365-V1376 HydrophobicContact CE1-CB 4Å; F1365-V1376 HydrophobicContact CE1-CG1 3.87Å; F1365-V1376 HydrophobicContact CE2-CB 3.68Å; F1365-V1376 HydrophobicContact CE2-CG1 4.17Å; F1365-V1376 HydrophobicContact CE2-CG2 3.67Å; F1365-V1376 HydrophobicContact CG-CB 4.39Å; F1365-V1376 HydrophobicContact CZ-CB 3.66Å; F1365-V1376 HydrophobicContact CZ-CG1 3.63Å; F1365-V1376 HydrophobicContact CZ-CG2 3.99Å; F1365-V1376 PolarHBondContact N-O 3.39Å; F1365-V1376 VanDerWaalsContact N-O 3.13Å; F1365-V1376 PolarHBondContact O-N 2.93Å; L1367-V1376 HydrophobicContact CB-CG2 4.17Å; L1367-V1376 HydrophobicContact CD2-CG2 4.48Å; V1376-A1382 WeakPolarHBondContact CA-O 3.11Å; V1376-A1383 HydrophobicContact CG2-CB 4.21Å
1377E88.8Confident87.1Confident27 Ų2732.2 Ų32.213%0.12616%0.156CC..EExtended strand (participates in β ladder)trans-102.2104.7174.3-58.2-170.4142.800109.1R1364 N1379 R1380 Q1381 A1382R1364-E1377 HydrophobicContact CG-CG 4.1Å; E1377-N1379 PolarHBondContact O-N 3Å; E1377-R1380 HydrophobicContact CB-CB 4.32Å; E1377-R1380 PolarHBondContact O-N 3.34Å; E1377-R1380 IonicContact OE1-NH1 3.31Å; E1377-R1380 PolarHBondContact OE1-NH1 2.84Å; E1377-R1380 WeakPolarHBondContact OE2-CD 3.19Å; E1377-R1380 IonicContact OE2-CZ 3.13Å; E1377-R1380 IonicContact OE2-NE 2.66Å; E1377-R1380 IonicContact OE2-NH1 2.65Å; E1377-R1380 PolarHBondContact OE2-NH1 2.69Å; E1377-Q1381 PolarHBondContact O-N 2.89Å; E1377-A1382 PolarHBondContact N-O 3.3Å; E1377-A1382 PolarHBondContact O-N 3.04Å
1378V84.4Confident86Confident0 Ų035.5 Ų35.50%017%0.174CC..G310 helixtrans-59.7-50.5-169.8175.60000111.8L1342 D1363 F1365 R1380 Q1381 M1664 P1667L1342-V1378 HydrophobicContact CD2-CG1 4.37Å; D1363-V1378 PolarHBondContact O-N 3.38Å; F1365-V1378 HydrophobicContact CD1-CG2 4.02Å; F1365-V1378 HydrophobicContact CE1-CG2 3.72Å; V1378-R1380 PolarHBondContact O-N 2.77Å; V1378-R1380 VanDerWaalsContact O-N 3.12Å; V1378-Q1381 PolarHBondContact O-N 2.95Å; V1378-M1664 HydrophobicContact CG2-CE 3.59Å; V1378-P1667 HydrophobicContact CG1-CG 4.21Å
1379N80.7Confident84.9Confident93 Ų9339.5 Ų39.550%0.49720%0.202SC..G310 helixtrans-67.4-14.3-176.1-59.8-23.5000113.9D1363 E1377D1363-N1379 PolarHBondContact OD1-ND2 2.91Å; E1377-N1379 PolarHBondContact O-N 3Å
1380R79.2Confident84.5Confident186 Ų18643.3 Ų43.370%0.70222%0.216SC*.G310 helixtrans-104.1-6.6173.1-63.2-160.5-176125.6-3.7113.4E1377 V1378 A1382E1377-R1380 HydrophobicContact CB-CB 4.32Å; E1377-R1380 PolarHBondContact O-N 3.34Å; E1377-R1380 IonicContact OE1-NH1 3.31Å; E1377-R1380 PolarHBondContact OE1-NH1 2.84Å; E1377-R1380 WeakPolarHBondContact OE2-CD 3.19Å; E1377-R1380 IonicContact OE2-CZ 3.13Å; E1377-R1380 IonicContact OE2-NE 2.66Å; E1377-R1380 IonicContact OE2-NH1 2.65Å; E1377-R1380 PolarHBondContact OE2-NH1 2.69Å; V1378-R1380 PolarHBondContact O-N 2.77Å; V1378-R1380 VanDerWaalsContact O-N 3.12Å; R1380-A1382 HydrophobicContact CB-CB 3.89Å; R1380-A1382 PolarHBondContact O-N 3.04Å; R1380-A1382 VanDerWaalsContact O-N 3.08Å
1381Q77.9Confident84.5Confident55 Ų5540.9 Ų40.926%0.25720%0.203SC..THydrogen-bonded Turntrans47.133.6-168.7-59.6-172.7-38.800113Y1293 L1348 E1377 V1378Y1293-Q1381 PolarHBondContact OH-NE2 3.46Å; Y1293-Q1381 PolarHBondContact OH-OE1 3.13Å; L1348-Q1381 WeakPolarHBondContact CD2-O 3.38Å; E1377-Q1381 PolarHBondContact O-N 2.89Å; V1378-Q1381 PolarHBondContact O-N 2.95Å
1382A82.6Confident84.9Confident9 Ų938.6 Ų38.67%0.07419%0.192CC..EExtended strand (participates in β ladder)trans-113.9161.9-172.800000110.5V1376 E1377 R1380V1376-A1382 WeakPolarHBondContact CA-O 3.11Å; E1377-A1382 PolarHBondContact N-O 3.3Å; E1377-A1382 PolarHBondContact O-N 3.04Å; R1380-A1382 HydrophobicContact CB-CB 3.89Å; R1380-A1382 PolarHBondContact O-N 3.04Å; R1380-A1382 VanDerWaalsContact O-N 3.08Å
1383A86.2Confident84.8Confident0 Ų040.9 Ų40.90%020%0.203CC..EExtended strand (participates in β ladder)trans-137.1156.7172.200000112.6L1348 F1350 F1374 C1375 V1376 S1686 I1687L1348-A1383 HydrophobicContact CD1-CB 4.32Å; L1348-A1383 HydrophobicContact CD2-CB 4.23Å; F1350-A1383 HydrophobicContact CE1-CB 4.18Å; F1350-A1383 HydrophobicContact CE2-CB 4.43Å; F1350-A1383 HydrophobicContact CZ-CB 3.5Å; F1350-A1383 VanDerWaalsContact CZ-CB 3.5Å; F1374-A1383 HydrophobicContact CD1-CB 4.44Å; C1375-A1383 CarbonylContact O-C 3.56Å; C1375-A1383 WeakPolarHBondContact O-CA 3.46Å; V1376-A1383 HydrophobicContact CG2-CB 4.21Å; A1383-S1686 CarbonylContact O-C 3.45Å; A1383-I1687 CarbonylContact O-C 3.58Å; A1383-I1687 VanDerWaalsContact O-C 3.28Å; A1383-I1687 PolarHBondContact O-N 3.18Å
1384I87.3Confident84.8Confident42 Ų4242.1 Ų42.122%0.21521%0.213CC..EExtended strand (participates in β ladder)trans-124.5113.3179.4-44.1-174.1000106.6F1374 C1375 Y1685F1374-I1384 CarbonylContact C-O 3.6Å; F1374-I1384 WeakPolarHBondContact CA-O 2.87Å; C1375-I1384 HydrophobicContact CB-CB 4.43Å; C1375-I1384 PolarHBondContact N-O 3.48Å; C1375-I1384 PolarHBondContact O-N 2.89Å; I1384-Y1685 WeakPolarHBondContact CG2-O 3.23Å
1385R88.9Confident84.8Confident79 Ų7942.4 Ų42.430%0.29822%0.215SC..EExtended strand (participates in β ladder)trans-74.2133.9177.6-164.2-178.5125.9-173.4-4.4110.2L1373 F1374 G1387 D1388 S1389 I1687L1373-R1385 WeakPolarHBondContact O-CG 3.44Å; F1374-R1385 HydrophobicContact CD1-CB 3.76Å; F1374-R1385 HydrophobicContact CD1-CG 3.87Å; F1374-R1385 HydrophobicContact CE1-CB 3.6Å; F1374-R1385 HydrophobicContact CE1-CG 3.48Å; F1374-R1385 VanDerWaalsContact CE1-CG 3.48Å; F1374-R1385 HydrophobicContact CZ-CG 3.97Å; R1385-G1387 PolarHBondContact NE-O 2.97Å; R1385-G1387 VanDerWaalsContact NE-O 3.07Å; R1385-G1387 PolarHBondContact NH2-O 2.68Å; R1385-D1388 VanDerWaalsContact NH2-C 3.3Å; R1385-S1389 PolarHBondContact NH1-OG 2.75Å; R1385-S1389 PolarHBondContact NH2-OG 3.13Å; R1385-I1687 HydrophobicContact CB-CB 4.15Å; R1385-I1687 HydrophobicContact CB-CD1 4.11Å; R1385-I1687 HydrophobicContact CB-CG2 4.31Å
1386I87.3Confident84.8Confident7 Ų744.2 Ų44.24%0.03622%0.223CC..EExtended strand (participates in β ladder)trans-110.2107.4-178.8-53.6-177.3000108.2L1366 L1373 C1375 V1440 L1441 W1448L1366-I1386 HydrophobicContact CD2-CD1 3.49Å; L1366-I1386 VanDerWaalsContact CD2-CD1 3.49Å; L1373-I1386 HydrophobicContact CB-CB 4.33Å; L1373-I1386 HydrophobicContact CD2-CB 4.01Å; L1373-I1386 HydrophobicContact CD2-CD1 4.39Å; L1373-I1386 HydrophobicContact CD2-CG2 4.04Å; L1373-I1386 HydrophobicContact CG-CB 4.07Å; L1373-I1386 HydrophobicContact CG-CD1 4.43Å; L1373-I1386 PolarHBondContact O-N 3.08Å; C1375-I1386 HydrophobicContact CB-CD1 4.07Å; I1386-V1440 HydrophobicContact CD1-CG1 4.41Å; I1386-V1440 HydrophobicContact CG2-CB 4.42Å; I1386-V1440 HydrophobicContact CG2-CG1 3.87Å; I1386-V1440 HydrophobicContact CG2-CG2 3.66Å; I1386-L1441 HydrophobicContact CD1-CD2 3.92Å; I1386-W1448 HydrophobicContact CG2-CZ2 4.1Å; I1386-W1448 WeakPolarHBondContact O-CH2 3.33Å; I1386-W1448 WeakPolarHBondContact O-CZ2 3.11Å
1387G80.2Confident84.9Confident39 Ų3947.5 Ų47.540%0.40224%0.236SC..SBendtrans67.4-156.5172.100000116.7R1385R1385-G1387 PolarHBondContact NE-O 2.97Å; R1385-G1387 VanDerWaalsContact NE-O 3.07Å; R1385-G1387 PolarHBondContact NH2-O 2.68Å
1388D71.9Confident85Confident69 Ų6946.8 Ų46.837%0.36923%0.233SC..SBendtrans-56.1154.7-171.5-59.8-11.3000114.1R1385 R1390R1385-D1388 VanDerWaalsContact NH2-C 3.3Å; D1388-R1390 HydrophobicContact CB-CG 3.8Å; D1388-R1390 PolarHBondContact O-N 2.97Å; D1388-R1390 IonicContact OD2-CZ 2.67Å; D1388-R1390 IonicContact OD2-NE 2.67Å; D1388-R1390 PolarHBondContact OD2-NE 3.11Å; D1388-R1390 IonicContact OD2-NH2 2.85Å; D1388-R1390 PolarHBondContact OD2-NH2 2.96Å
1389S70.3Confident85.1Confident84 Ų8449.8 Ų49.859%0.58725%0.254SS*.  trans-74.941.9177.5-38.30000112.8E1371 R1385E1371-S1389 CarbonylContact O-C 3.57Å; E1371-S1389 WeakPolarHBondContact O-CA 3.37Å; R1385-S1389 PolarHBondContact NH1-OG 2.75Å; R1385-S1389 PolarHBondContact NH2-OG 3.13Å
1390R81Confident85.4Confident79 Ų7950.1 Ų50.130%0.29826%0.256SS..  trans-95.4121.8-175.3-63.8178.7-158-89.9-4.9109.8D1388 V1392D1388-R1390 HydrophobicContact CB-CG 3.8Å; D1388-R1390 PolarHBondContact O-N 2.97Å; D1388-R1390 IonicContact OD2-CZ 2.67Å; D1388-R1390 IonicContact OD2-NE 2.67Å; D1388-R1390 PolarHBondContact OD2-NE 3.11Å; D1388-R1390 IonicContact OD2-NH2 2.85Å; D1388-R1390 PolarHBondContact OD2-NH2 2.96Å; R1390-V1392 VanDerWaalsContact O-CG2 3.31Å; R1390-V1392 WeakPolarHBondContact O-CG2 3.47Å; R1390-V1392 PolarHBondContact O-N 2.99Å
1391R88.4Confident85.9Confident32 Ų3242.6 Ų42.612%0.12123%0.229CC..  trans-39.9122.8167.7175.1-176.8-177.298.614.6111.6L1355 S1369 E1370 E1393 S1408 G1409L1355-R1391 HydrophobicContact CD1-CG 4.04Å; S1369-R1391 WeakPolarHBondContact O-CA 3.08Å; E1370-R1391 IonicContact OE1-CZ 3.11Å; E1370-R1391 IonicContact OE1-NH1 3.07Å; E1370-R1391 PolarHBondContact OE1-NH1 2.87Å; E1370-R1391 IonicContact OE1-NH2 3.6Å; E1370-R1391 PolarHBondContact OE1-NH2 2.87Å; E1370-R1391 IonicContact OE2-NH1 3.34Å; R1391-E1393 HydrophobicContact CG-CG 4.17Å; R1391-E1393 IonicContact CZ-OE1 3.57Å; R1391-E1393 IonicContact NE-OE1 2.69Å; R1391-E1393 PolarHBondContact NE-OE1 2.85Å; R1391-E1393 IonicContact NH2-OE1 3.73Å; R1391-E1393 PolarHBondContact NH2-OE1 2.94Å; R1391-S1408 WeakPolarHBondContact O-CA 3.48Å; R1391-G1409 PolarHBondContact O-N 2.9Å
1392V90Very high86.5Confident0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-111.7109.7178-1780000109.5L1355 S1369 L1373 R1390 I1395 I1406L1355-V1392 WeakPolarHBondContact CB-O 3.39Å; L1355-V1392 WeakPolarHBondContact CD1-O 3.47Å; S1369-V1392 PolarHBondContact O-N 2.83Å; L1373-V1392 HydrophobicContact CB-CG2 4.17Å; R1390-V1392 VanDerWaalsContact O-CG2 3.31Å; R1390-V1392 WeakPolarHBondContact O-CG2 3.47Å; R1390-V1392 PolarHBondContact O-N 2.99Å; V1392-I1395 HydrophobicContact CG1-CD1 4.13Å; V1392-I1395 HydrophobicContact CG1-CG1 3.6Å; V1392-I1406 HydrophobicContact CG1-CB 4.03Å; V1392-I1406 HydrophobicContact CG1-CG2 4.28Å; V1392-I1406 HydrophobicContact CG2-CD1 4.11Å
1393E87.5Confident86.9Confident48 Ų4845.7 Ų45.722%0.22424%0.242CC..EExtended strand (participates in β ladder)trans-88.6-25.3-176.1-61.6-151150.300113.7L1355 R1391 M1407 K1429 H1431L1355-E1393 HydrophobicContact CD1-CG 4.09Å; R1391-E1393 HydrophobicContact CG-CG 4.17Å; R1391-E1393 IonicContact CZ-OE1 3.57Å; R1391-E1393 IonicContact NE-OE1 2.69Å; R1391-E1393 PolarHBondContact NE-OE1 2.85Å; R1391-E1393 IonicContact NH2-OE1 3.73Å; R1391-E1393 PolarHBondContact NH2-OE1 2.94Å; E1393-M1407 HydrophobicContact CB-CE 3.9Å; E1393-M1407 PolarHBondContact N-O 2.84Å; E1393-K1429 IonicContact OE1-NZ 2.8Å; E1393-K1429 PolarHBondContact OE1-NZ 2.87Å; E1393-H1431 VanDerWaalsContact CD-CE1 3.49Å; E1393-H1431 IonicContact OE1-CE1 3.85Å; E1393-H1431 IonicContact OE1-NE2 3.22Å; E1393-H1431 IonicContact OE2-CE1 2.61Å; E1393-H1431 PolarHBondContact OE2-CE1 3.25Å; E1393-H1431 IonicContact OE2-ND1 3.88Å; E1393-H1431 IonicContact OE2-NE2 3.05Å
1394A91.4Very high87.3Confident26 Ų2645.7 Ų45.722%0.21524%0.242CC..EExtended strand (participates in β ladder)trans-151.1147175.500000111.6C1356 I1406 M1407 F1460C1356-A1394 WeakPolarHBondContact SG-CA 3.37Å; A1394-I1406 WeakPolarHBondContact O-CA 3.1Å; A1394-M1407 HydrophobicContact CB-CB 4.3Å; A1394-M1407 PolarHBondContact O-N 2.82Å; A1394-F1460 HydrophobicContact CB-CD1 4.31Å; A1394-F1460 HydrophobicContact CB-CE1 3.66Å; A1394-F1460 HydrophobicContact CB-CZ 4.48Å
1395I93.3Very high87.6Confident9 Ų943.7 Ų43.75%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-132.3140.8178.7-60.2163.5000108.4A1358 G1368 L1373 V1392 I1404 I1405 I1406A1358-I1395 HydrophobicContact CB-CB 4.41Å; A1358-I1395 HydrophobicContact CB-CG2 3.7Å; G1368-I1395 VanDerWaalsContact N-CD1 3.28Å; L1373-I1395 HydrophobicContact CD1-CD1 3.47Å; L1373-I1395 VanDerWaalsContact CD1-CD1 3.47Å; L1373-I1395 HydrophobicContact CD1-CG1 4.22Å; V1392-I1395 HydrophobicContact CG1-CD1 4.13Å; V1392-I1395 HydrophobicContact CG1-CG1 3.6Å; I1395-I1404 HydrophobicContact CG2-CG2 3.82Å; I1395-I1405 CarbonylContact C-O 3.58Å; I1395-I1405 WeakPolarHBondContact CA-O 3.47Å; I1395-I1406 HydrophobicContact CG1-CG2 3.99Å; I1395-I1406 HydrophobicContact CG2-CG2 4.36Å
1396E92.4Very high87.8Confident44 Ų4440 Ų4021%0.20622%0.217CC..EExtended strand (participates in β ladder)trans-128.6131.5162.6-62.5-68.9173.300108.7I1405 F1460 V1462 R1636E1396-I1405 PolarHBondContact N-O 3.02Å; E1396-I1405 PolarHBondContact O-N 3.34Å; E1396-F1460 HydrophobicContact CB-CE2 4.03Å; E1396-F1460 HydrophobicContact CB-CZ 4.34Å; E1396-F1460 HydrophobicContact CG-CD2 4.36Å; E1396-F1460 HydrophobicContact CG-CE2 3.44Å; E1396-F1460 VanDerWaalsContact CG-CE2 3.44Å; E1396-F1460 HydrophobicContact CG-CZ 3.77Å; E1396-V1462 HydrophobicContact CB-CB 4.4Å; E1396-V1462 HydrophobicContact CB-CG2 3.83Å; E1396-V1462 HydrophobicContact CG-CB 4.39Å; E1396-V1462 HydrophobicContact CG-CG2 3.83Å; E1396-R1636 IonicContact OE1-CZ 3.88Å; E1396-R1636 IonicContact OE1-NE 3.77Å; E1396-R1636 PolarHBondContact OE1-NE 2.83Å; E1396-R1636 IonicContact OE1-NH2 2.67Å; E1396-R1636 PolarHBondContact OE1-NH2 3.04Å
1397Y92.9Very high88.1Confident70 Ų7040 Ų4028%0.27522%0.218SC..EExtended strand (participates in β ladder)trans-103121.2175.6172.8-119.9000109.3V1359 I1404 T1438 L1441V1359-Y1397 WeakPolarHBondContact O-CD1 3.31Å; Y1397-I1404 HydrophobicContact CD2-CG1 4.08Å; Y1397-T1438 HydrophobicContact CD2-CG2 4.22Å; Y1397-T1438 HydrophobicContact CE2-CG2 3.62Å; Y1397-L1441 HydrophobicContact CE2-CD1 4.5Å
1398V90.4Very high88.4Confident11 Ų1138.4 Ų38.47%0.06720%0.2CC..EExtended strand (participates in β ladder)trans-115.192.7-179.2-166.30000107.9D1400 E1401 Q1402 L1403 I1405 V1462 Y1471V1398-D1400 VanDerWaalsContact C-N 3.31Å; V1398-D1400 PolarHBondContact O-N 3.45Å; V1398-E1401 HydrophobicContact CG1-CB 3.95Å; V1398-Q1402 PolarHBondContact O-N 3.26Å; V1398-L1403 PolarHBondContact N-O 2.96Å; V1398-L1403 PolarHBondContact O-N 3.1Å; V1398-L1403 VanDerWaalsContact O-N 3.07Å; V1398-I1405 HydrophobicContact CG2-CD1 4.35Å; V1398-V1462 HydrophobicContact CG2-CG1 3.83Å; V1398-Y1471 HydrophobicContact CG1-CD1 4.14Å; V1398-Y1471 HydrophobicContact CG1-CE1 4.17Å; V1398-Y1471 HydrophobicContact CG1-CG 4.5Å
1399S88.2Confident88.4Confident64 Ų6435.3 Ų35.345%0.44818%0.184SC..THydrogen-bonded Turntrans-50.9-50177.242.30000112.1E1401 Q1402S1399-E1401 VanDerWaalsContact C-N 3.32Å; S1399-E1401 PolarHBondContact O-N 2.87Å; S1399-Q1402 PolarHBondContact O-N 2.81Å
1400D86.9Confident88Confident100 Ų10034.3 Ų34.354%0.53518%0.175SC..THydrogen-bonded Turntrans-70.6-29.9-166.4-55.58.8000112.4V1398 Y1471V1398-D1400 VanDerWaalsContact C-N 3.31Å; V1398-D1400 PolarHBondContact O-N 3.45Å; D1400-Y1471 HydrophobicContact CB-CE2 3.91Å; D1400-Y1471 PolarHBondContact OD2-OH 3.14Å
1401E88Confident86.6Confident27 Ų2736 Ų3613%0.12619%0.189CC..THydrogen-bonded Turntrans-98.81.6173.2-80.4-67.9133.100112.6V1398 S1399 L1403 Y1471 I1486 R1492V1398-E1401 HydrophobicContact CG1-CB 3.95Å; S1399-E1401 VanDerWaalsContact C-N 3.32Å; S1399-E1401 PolarHBondContact O-N 2.87Å; E1401-L1403 VanDerWaalsContact C-N 3.3Å; E1401-L1403 HydrophobicContact CB-CD1 4.48Å; E1401-L1403 PolarHBondContact O-N 3.03Å; E1401-Y1471 HydrophobicContact CG-CD2 3.95Å; E1401-Y1471 HydrophobicContact CG-CG 4.34Å; E1401-I1486 HydrophobicContact CB-CG2 4.13Å; E1401-I1486 HydrophobicContact CG-CG2 3.82Å; E1401-I1486 WeakPolarHBondContact OE2-CG2 3.29Å; E1401-R1492 PolarHBondContact O-NH1 3.49Å; E1401-R1492 PolarHBondContact O-NH2 3.13Å; E1401-R1492 IonicContact OE2-CZ 3.37Å; E1401-R1492 IonicContact OE2-NH2 3.21Å; E1401-R1492 PolarHBondContact OE2-NH2 2.84Å
1402Q90.9Very high84.6Confident130 Ų13041.8 Ų41.861%0.60722%0.215SC*.THydrogen-bonded Turntrans52.646-179-63.2-177.3-15.900112.7V1398 S1399 T1438V1398-Q1402 PolarHBondContact O-N 3.26Å; S1399-Q1402 PolarHBondContact O-N 2.81Å; Q1402-T1438 VanDerWaalsContact C-CG2 3.46Å; Q1402-T1438 WeakPolarHBondContact CB-OG1 3.44Å; Q1402-T1438 PolarHBondContact O-N 3.12Å; Q1402-T1438 VanDerWaalsContact O-N 3.12Å
1403L91.8Very high82Confident0 Ų047.6 Ų47.60%025%0.246CC..EExtended strand (participates in β ladder)trans-130140.5-178.9-74.9175.6000112.8V1398 E1401 I1405 L1435 I1486 R1492V1398-L1403 PolarHBondContact N-O 2.96Å; V1398-L1403 PolarHBondContact O-N 3.1Å; V1398-L1403 VanDerWaalsContact O-N 3.07Å; E1401-L1403 VanDerWaalsContact C-N 3.3Å; E1401-L1403 HydrophobicContact CB-CD1 4.48Å; E1401-L1403 PolarHBondContact O-N 3.03Å; L1403-I1405 HydrophobicContact CB-CG1 4.41Å; L1403-L1435 HydrophobicContact CD2-CB 4.21Å; L1403-I1486 HydrophobicContact CD1-CG2 3.73Å; L1403-R1492 HydrophobicContact CD1-CB 4.33Å; L1403-R1492 HydrophobicContact CD2-CG 4.49Å
1404I93.6Very high79.4Confident0 Ų054 Ų540%028%0.276CS..EExtended strand (participates in β ladder)trans-103.4121.5160.7-52.1158.2000106.2L1366 I1395 Y1397 I1406 I1436 T1438 V1440 L1441L1366-I1404 HydrophobicContact CD1-CD1 3.62Å; L1366-I1404 HydrophobicContact CD1-CG1 3.75Å; L1366-I1404 HydrophobicContact CD1-CG2 3.96Å; L1366-I1404 HydrophobicContact CD2-CD1 4.43Å; I1395-I1404 HydrophobicContact CG2-CG2 3.82Å; Y1397-I1404 HydrophobicContact CD2-CG1 4.08Å; I1404-I1406 HydrophobicContact CG2-CG2 3.92Å; I1404-I1436 HydrophobicContact CB-CB 4.28Å; I1404-I1436 PolarHBondContact N-O 3.04Å; I1404-I1436 PolarHBondContact O-N 3.25Å; I1404-T1438 HydrophobicContact CG1-CG2 4.11Å; I1404-V1440 HydrophobicContact CD1-CG1 4.2Å; I1404-L1441 HydrophobicContact CD1-CD2 4.12Å; I1404-L1441 HydrophobicContact CD1-CG 4.35Å
1405I94.2Very high76.9Confident0 Ų061 Ų610%031%0.308CS..EExtended strand (participates in β ladder)trans-106.4124.8179.2-57.3-172.1000107.9I1395 E1396 V1398 L1403 I1433 R1434 L1435 F1460 V1462 F1473 I1486I1395-I1405 CarbonylContact C-O 3.58Å; I1395-I1405 WeakPolarHBondContact CA-O 3.47Å; E1396-I1405 PolarHBondContact N-O 3.02Å; E1396-I1405 PolarHBondContact O-N 3.34Å; V1398-I1405 HydrophobicContact CG2-CD1 4.35Å; L1403-I1405 HydrophobicContact CB-CG1 4.41Å; I1405-I1433 HydrophobicContact CG2-CG2 3.85Å; I1405-R1434 WeakPolarHBondContact CA-O 3.47Å; I1405-L1435 HydrophobicContact CB-CD2 4.31Å; I1405-L1435 HydrophobicContact CD1-CD2 3.83Å; I1405-L1435 HydrophobicContact CG1-CD2 3.72Å; I1405-L1435 HydrophobicContact CG2-CD2 3.94Å; I1405-F1460 HydrophobicContact CB-CE2 4.15Å; I1405-F1460 HydrophobicContact CB-CZ 4.49Å; I1405-F1460 HydrophobicContact CG2-CD2 4.21Å; I1405-F1460 HydrophobicContact CG2-CE2 3.5Å; I1405-F1460 HydrophobicContact CG2-CZ 3.93Å; I1405-V1462 HydrophobicContact CD1-CG1 4.47Å; I1405-V1462 HydrophobicContact CD1-CG2 3.98Å; I1405-F1473 HydrophobicContact CD1-CB 4.47Å; I1405-F1473 HydrophobicContact CD1-CD1 4.44Å; I1405-I1486 HydrophobicContact CD1-CD1 3.69Å
1406I93.4Very high74.1Confident0 Ų067.8 Ų67.80%034%0.343CS..EExtended strand (participates in β ladder)trans-126.8146.3-176.369.6166000112.7L1373 V1392 A1394 I1395 I1404 I1433 R1434 I1436 W1448L1373-I1406 HydrophobicContact CD2-CG2 4.47Å; V1392-I1406 HydrophobicContact CG1-CB 4.03Å; V1392-I1406 HydrophobicContact CG1-CG2 4.28Å; V1392-I1406 HydrophobicContact CG2-CD1 4.11Å; A1394-I1406 WeakPolarHBondContact O-CA 3.1Å; I1395-I1406 HydrophobicContact CG1-CG2 3.99Å; I1395-I1406 HydrophobicContact CG2-CG2 4.36Å; I1404-I1406 HydrophobicContact CG2-CG2 3.92Å; I1406-I1433 CarbonylContact O-C 3.58Å; I1406-I1433 VanDerWaalsContact O-CA 3.31Å; I1406-I1433 WeakPolarHBondContact O-CA 3.24Å; I1406-R1434 HydrophobicContact CD1-CB 4.5Å; I1406-R1434 HydrophobicContact CG1-CB 3.91Å; I1406-R1434 PolarHBondContact N-O 3.45Å; I1406-R1434 PolarHBondContact O-N 2.95Å; I1406-I1436 HydrophobicContact CD1-CD1 3.72Å; I1406-I1436 HydrophobicContact CG1-CD1 4.03Å; I1406-I1436 HydrophobicContact CG2-CD1 4.26Å; I1406-W1448 HydrophobicContact CD1-CE3 4.28Å; I1406-W1448 HydrophobicContact CD1-CH2 4.16Å; I1406-W1448 HydrophobicContact CD1-CZ3 3.78Å
1407M92.6Very high71.4Confident9 Ų971.8 Ų71.84%0.04437%0.373CS..EExtended strand (participates in β ladder)trans-96.9105.2164.3-17316574.800109.1E1393 A1394 H1431 I1433 C1457 F1460E1393-M1407 HydrophobicContact CB-CE 3.9Å; E1393-M1407 PolarHBondContact N-O 2.84Å; A1394-M1407 HydrophobicContact CB-CB 4.3Å; A1394-M1407 PolarHBondContact O-N 2.82Å; M1407-H1431 HydrophobicContact CG-CB 4.2Å; M1407-I1433 HydrophobicContact CB-CD1 3.86Å; M1407-I1433 HydrophobicContact CG-CD1 4.09Å; M1407-C1457 HydrophobicContact SD-CB 4.49Å; M1407-C1457 VanDerWaalsContact SD-SG 3.63Å; M1407-F1460 HydrophobicContact CB-CD1 3.98Å; M1407-F1460 HydrophobicContact CB-CE1 3.78Å
1408S87.4Confident68.7Low4 Ų472.5 Ų72.53%0.02839%0.394CS..EExtended strand (participates in β ladder)trans-104.7138.9-175.865.60000111.7R1391 H1431 Q1432 R1434R1391-S1408 WeakPolarHBondContact O-CA 3.48Å; S1408-H1431 CarbonylContact O-C 3.5Å; S1408-H1431 WeakPolarHBondContact O-CA 3.46Å; S1408-Q1432 PolarHBondContact N-O 3.01Å; S1408-Q1432 PolarHBondContact O-N 3.13Å; S1408-Q1432 PolarHBondContact OG-O 3.24Å; S1408-R1434 PolarHBondContact OG-NE 3.09Å; S1408-R1434 VanDerWaalsContact OG-NE 3.1Å
1409G72.4Confident66.1Low4 Ų479.8 Ų79.84%0.04143%0.431CS..EExtended strand (participates in β ladder)trans-119.6160.2177.700000114R1391R1391-G1409 PolarHBondContact O-N 2.9Å
1410T60.9Low63.5Low64 Ų6485.2 Ų85.239%0.39345%0.447SS..EExtended strand (participates in β ladder)trans-107.2132.4165.144.20000111.1K1412 E1430T1410-K1412 PolarHBondContact O-N 3.02Å; T1410-E1430 PolarHBondContact N-O 3.43Å
1411L51.8Low60.8Low114 Ų11487.9 Ų87.960%0.59746%0.461SS*.  trans-81.4109.3169.3-82.2153.6000109N1413L1411-N1413 PolarHBondContact O-N 2.64Å
1412K46.4Very low57.9Low154 Ų15495.4 Ų95.467%0.6750%0.497SS*.  trans-83.5104.9161.9-82.6176168.4169.60107.7T1410 E1430T1410-K1412 PolarHBondContact O-N 3.02Å; K1412-E1430 IonicContact NZ-OE1 3.99Å; K1412-E1430 PolarHBondContact NZ-OE1 2.88Å
1413N34.8Very low55Low122 Ų12295.2 Ų95.265%0.65250%0.504SS*.  trans-65.9166.7175.1-68.5-15.6000111.2L1411L1411-N1413 PolarHBondContact O-N 2.64Å
1414H33.8Very low52.1Low183 Ų183100 Ų10085%0.84753%0.533SS*.  trans77.558.5173.7-48.1-87.9000118.7
1415I38.4Very low49Very low172 Ų172106.5 Ų106.588%0.88256%0.559SS**SBendtrans-135.7145.8140.2-59.8-173.6000108.7
1416L34.7Very low46Very low151 Ų151112.3 Ų112.379%0.79159%0.586SS**  trans-71.4138.6-166-70.6155.1000115A1418L1416-A1418 PolarHBondContact O-N 2.92Å
1417P35.4Very low42.9Very low128 Ų128120.8 Ų120.883%0.83163%0.63SS**SBendtrans-71.514178.8-20.333.7000117.4
1418A36.2Very low40.2Very low86 Ų86123.4 Ų123.471%0.71166%0.66SS**SBendtrans-87.6-7.4-156.300000117L1416L1416-A1418 PolarHBondContact O-N 2.92Å
1419L35.2Very low38.5Very low163 Ų163128.5 Ų128.585%0.85368%0.681SS**SBendtrans-136.38.4-167.7-85.4168000115.5N1421L1419-N1421 VanDerWaalsContact C-N 3.31Å; L1419-N1421 PolarHBondContact O-N 3.24Å; L1419-N1421 VanDerWaalsContact O-N 3.08Å
1420F34.6Very low38.2Very low178 Ų178132.4 Ų132.478%0.78170%0.698SS**  trans-89.439.7-164.2-137-89.3000116
1421N29.5Very low39.3Very low156 Ų156130.2 Ų130.283%0.83468%0.683SS**SBendtrans-112.6128.9163.7-95-18.7000108.6L1419L1419-N1421 VanDerWaalsContact C-N 3.31Å; L1419-N1421 PolarHBondContact O-N 3.24Å; L1419-N1421 VanDerWaalsContact O-N 3.08Å
1422Q28.2Very low41Very low185 Ų185125.8 Ų125.886%0.86466%0.66SS**SBendtrans73.6136.6-176.1-128.1167.11900115
1423V29.7Very low43.3Very low126 Ų126118.5 Ų118.576%0.76463%0.628SS**  trans72.9150.2171.4-145.30000117.9
1424V31.1Very low46Very low101 Ų101114 Ų11461%0.61260%0.602SS**  trans78.283.8166.2-163.50000118.3
1425Y29.2Very low48.8Very low137 Ų137105.3 Ų105.354%0.53756%0.562SS.*  trans-46142.3142-109.5-111000111.7F1504 D1553Y1425-F1504 HydrophobicContact CE1-CD1 4.27Å; Y1425-F1504 HydrophobicContact CE1-CE1 4.26Å; Y1425-D1553 PolarHBondContact OH-OD2 2.74Å
1426H30.5Very low51.4Low122 Ų12297.1 Ų97.157%0.56552%0.52SS*.  trans66.5111.3172.4-42.8-59.9000118F1504H1426-F1504 AromaticContact CE1-CD2 3.89Å; H1426-F1504 AromaticContact CE1-CE2 3.56Å; H1426-F1504 AromaticContact CE1-CZ 3.86Å
1427L27.8Very low54.1Low177 Ų17791.3 Ų91.393%0.92749%0.491SS*.  trans-179.3143.1135-98.8155.2000110.9
1428G35.7Very low56.8Low65 Ų6586.3 Ų86.367%0.6746%0.458SS*.  trans109.4-41.9154.800000120.1E1430G1428-E1430 PolarHBondContact O-N 2.78Å
1429K52.8Low59.2Low110 Ų11083.7 Ų83.748%0.47844%0.437SS..  trans-78.1120.8-171.2-66-171.9178.1178.60113.7E1393 H1431E1393-K1429 IonicContact OE1-NZ 2.8Å; E1393-K1429 PolarHBondContact OE1-NZ 2.87Å; K1429-H1431 WeakPolarHBondContact CB-NE2 3.4Å; K1429-H1431 WeakPolarHBondContact CD-NE2 3.19Å; K1429-H1431 PolarHBondContact O-N 3.12Å
1430E65Low61.7Low87 Ų8777 Ų7741%0.40740%0.402SS..EExtended strand (participates in β ladder)trans-89.286.9173.2-76.4-178.1-122.400111.3T1410 K1412 G1428T1410-E1430 PolarHBondContact N-O 3.43Å; K1412-E1430 IonicContact NZ-OE1 3.99Å; K1412-E1430 PolarHBondContact NZ-OE1 2.88Å; G1428-E1430 PolarHBondContact O-N 2.78Å
1431H83.7Confident64.2Low17 Ų1769.8 Ų69.88%0.07937%0.372CS..EExtended strand (participates in β ladder)trans-86.6152171.3-59.6164000112.4E1393 M1407 S1408 K1429 K1455 Q1456 C1457E1393-H1431 VanDerWaalsContact CD-CE1 3.49Å; E1393-H1431 IonicContact OE1-CE1 3.85Å; E1393-H1431 IonicContact OE1-NE2 3.22Å; E1393-H1431 IonicContact OE2-CE1 2.61Å; E1393-H1431 PolarHBondContact OE2-CE1 3.25Å; E1393-H1431 IonicContact OE2-ND1 3.88Å; E1393-H1431 IonicContact OE2-NE2 3.05Å; M1407-H1431 HydrophobicContact CG-CB 4.2Å; S1408-H1431 CarbonylContact O-C 3.5Å; S1408-H1431 WeakPolarHBondContact O-CA 3.46Å; K1429-H1431 WeakPolarHBondContact CB-NE2 3.4Å; K1429-H1431 WeakPolarHBondContact CD-NE2 3.19Å; K1429-H1431 PolarHBondContact O-N 3.12Å; H1431-K1455 CarbonylContact O-C 3.49Å; H1431-K1455 WeakPolarHBondContact O-CA 3.44Å; H1431-Q1456 PolarHBondContact O-N 2.94Å; H1431-C1457 VanDerWaalsContact CB-O 3.23Å; H1431-C1457 WeakPolarHBondContact CB-O 3.34Å; H1431-C1457 PolarHBondContact ND1-O 3.14Å
1432Q89.1Confident66.7Low22 Ų2266.5 Ų66.510%0.10335%0.354CS..EExtended strand (participates in β ladder)trans-154.6142.8175-169.9170.722.700111.9S1408 V1451 D1452 T1454S1408-Q1432 PolarHBondContact N-O 3.01Å; S1408-Q1432 PolarHBondContact O-N 3.13Å; S1408-Q1432 PolarHBondContact OG-O 3.24Å; Q1432-V1451 PolarHBondContact NE2-O 2.98Å; Q1432-D1452 VanDerWaalsContact NE2-CA 3.34Å; Q1432-D1452 PolarHBondContact NE2-OD1 2.91Å; Q1432-D1452 VanDerWaalsContact NE2-OD1 3.15Å; Q1432-T1454 WeakPolarHBondContact CG-OG1 3.49Å
1433I93.3Very high69.1Low0 Ų060.1 Ų60.10%034%0.338CS..EExtended strand (participates in β ladder)trans-75.8138.8174.4-56-58.8000111.3I1405 I1406 M1407 L1435 V1451 T1454 F1460 F1473 V1475I1405-I1433 HydrophobicContact CG2-CG2 3.85Å; I1406-I1433 CarbonylContact O-C 3.58Å; I1406-I1433 VanDerWaalsContact O-CA 3.31Å; I1406-I1433 WeakPolarHBondContact O-CA 3.24Å; M1407-I1433 HydrophobicContact CB-CD1 3.86Å; M1407-I1433 HydrophobicContact CG-CD1 4.09Å; I1433-L1435 HydrophobicContact CG2-CD2 4.4Å; I1433-V1451 HydrophobicContact CB-CB 4.38Å; I1433-V1451 HydrophobicContact CB-CG2 4.43Å; I1433-V1451 HydrophobicContact CG2-CG2 4.23Å; I1433-V1451 PolarHBondContact O-N 2.87Å; I1433-V1451 VanDerWaalsContact O-N 3.11Å; I1433-T1454 HydrophobicContact CB-CG2 4.07Å; I1433-T1454 WeakPolarHBondContact CB-OG1 3.41Å; I1433-T1454 HydrophobicContact CG1-CG2 3.9Å; I1433-T1454 PolarHBondContact N-OG1 3.3Å; I1433-F1460 HydrophobicContact CD1-CB 4.11Å; I1433-F1460 HydrophobicContact CD1-CD1 3.57Å; I1433-F1460 HydrophobicContact CD1-CE1 4.08Å; I1433-F1460 HydrophobicContact CD1-CG 3.86Å; I1433-F1473 HydrophobicContact CG2-CD2 4.47Å; I1433-F1473 HydrophobicContact CG2-CE2 4.14Å; I1433-V1475 HydrophobicContact CD1-CG1 4.4Å; I1433-V1475 HydrophobicContact CG1-CG1 3.89Å; I1433-V1475 HydrophobicContact CG1-CG2 3.91Å
1434R92.5Very high71.5Confident28 Ų2861.5 Ų61.511%0.10633%0.33CS..EExtended strand (participates in β ladder)trans-129.2148169.9-56.8-176.1-177.6-137-6.8111.5I1405 I1406 S1408 I1449I1405-R1434 WeakPolarHBondContact CA-O 3.47Å; I1406-R1434 HydrophobicContact CD1-CB 4.5Å; I1406-R1434 HydrophobicContact CG1-CB 3.91Å; I1406-R1434 PolarHBondContact N-O 3.45Å; I1406-R1434 PolarHBondContact O-N 2.95Å; S1408-R1434 PolarHBondContact OG-NE 3.09Å; S1408-R1434 VanDerWaalsContact OG-NE 3.1Å; R1434-I1449 CarbonylContact C-O 3.56Å; R1434-I1449 WeakPolarHBondContact CA-O 3.25Å
1435L93.3Very high73.8Confident0 Ų064.6 Ų64.60%034%0.343CS..EExtended strand (participates in β ladder)trans-111.3127.2174.1-41.5173.3000108.3L1403 I1405 I1433 I1449 V1451 F1473 R1492 H1493L1403-L1435 HydrophobicContact CD2-CB 4.21Å; I1405-L1435 HydrophobicContact CB-CD2 4.31Å; I1405-L1435 HydrophobicContact CD1-CD2 3.83Å; I1405-L1435 HydrophobicContact CG1-CD2 3.72Å; I1405-L1435 HydrophobicContact CG2-CD2 3.94Å; I1433-L1435 HydrophobicContact CG2-CD2 4.4Å; L1435-I1449 HydrophobicContact CB-CB 4.21Å; L1435-I1449 PolarHBondContact N-O 3.28Å; L1435-I1449 PolarHBondContact O-N 2.85Å; L1435-V1451 HydrophobicContact CD1-CG2 4.32Å; L1435-V1451 HydrophobicContact CD2-CG2 4.46Å; L1435-V1451 HydrophobicContact CG-CG2 4.09Å; L1435-F1473 HydrophobicContact CD1-CE1 4.46Å; L1435-F1473 HydrophobicContact CD2-CE1 4.23Å; L1435-F1473 HydrophobicContact CD2-CZ 4.21Å; L1435-R1492 HydrophobicContact CD1-CB 3.95Å; L1435-H1493 HydrophobicContact CD1-CB 4.07Å
1436I92.4Very high76.3Confident0 Ų059.7 Ų59.70%033%0.327CS..EExtended strand (participates in β ladder)trans-124.6118.6-175.5-53.8170.1000108.1L1373 I1404 I1406 V1440 W1448L1373-I1436 HydrophobicContact CD2-CD1 3.98Å; I1404-I1436 HydrophobicContact CB-CB 4.28Å; I1404-I1436 PolarHBondContact N-O 3.04Å; I1404-I1436 PolarHBondContact O-N 3.25Å; I1406-I1436 HydrophobicContact CD1-CD1 3.72Å; I1406-I1436 HydrophobicContact CG1-CD1 4.03Å; I1406-I1436 HydrophobicContact CG2-CD1 4.26Å; I1436-V1440 HydrophobicContact CG2-CB 4.44Å; I1436-V1440 HydrophobicContact CG2-CG1 3.88Å; I1436-W1448 HydrophobicContact CD1-CD2 3.67Å; I1436-W1448 VanDerWaalsContact CD1-CE2 3.45Å; I1436-W1448 HydrophobicContact CD1-CE3 4.09Å; I1436-W1448 HydrophobicContact CD1-CG 4.12Å; I1436-W1448 HydrophobicContact CD1-CH2 4.11Å; I1436-W1448 HydrophobicContact CD1-CZ2 3.68Å; I1436-W1448 HydrophobicContact CD1-CZ3 4.31Å; I1436-W1448 HydrophobicContact CG1-CB 4.33Å; I1436-W1448 HydrophobicContact CG1-CD2 3.88Å; I1436-W1448 HydrophobicContact CG1-CG 3.77Å
1437P91.1Very high78.8Confident29 Ų2962.8 Ų62.819%0.18834%0.339CS..EExtended strand (participates in β ladder)trans-65.7141.2176.5-21.834.3000112.5A1439 V1440 V1446P1437-A1439 PolarHBondContact O-N 3.45Å; P1437-A1439 VanDerWaalsContact O-N 3.1Å; P1437-V1440 PolarHBondContact O-N 3.28Å; P1437-V1446 HydrophobicContact CB-CG1 4.03Å; P1437-V1446 HydrophobicContact CG-CG1 3.68Å
1438T90.9Very high81.7Confident24 Ų2456 Ų5615%0.14730%0.301CS..G310 helixtrans-67.2-12.9-173.552.80000114.8Y1397 Q1402 I1404 V1440 L1441Y1397-T1438 HydrophobicContact CD2-CG2 4.22Å; Y1397-T1438 HydrophobicContact CE2-CG2 3.62Å; Q1402-T1438 VanDerWaalsContact C-CG2 3.46Å; Q1402-T1438 WeakPolarHBondContact CB-OG1 3.44Å; Q1402-T1438 PolarHBondContact O-N 3.12Å; Q1402-T1438 VanDerWaalsContact O-N 3.12Å; I1404-T1438 HydrophobicContact CG1-CG2 4.11Å; T1438-V1440 PolarHBondContact O-N 3.49Å; T1438-L1441 HydrophobicContact CG2-CD1 4.48Å; T1438-L1441 VanDerWaalsContact O-CB 3.25Å; T1438-L1441 WeakPolarHBondContact O-CB 3.4Å; T1438-L1441 VanDerWaalsContact O-CG 3.24Å; T1438-L1441 WeakPolarHBondContact O-CG 3.13Å; T1438-L1441 PolarHBondContact O-N 3.19Å
1439A87.5Confident84.4Confident31 Ų3154.6 Ų54.626%0.25628%0.278SS..G310 helixtrans-58-16.1172.500000113.9P1437 L1441 D1442 R1444 V1446P1437-A1439 PolarHBondContact O-N 3.45Å; P1437-A1439 VanDerWaalsContact O-N 3.1Å; A1439-L1441 PolarHBondContact O-N 3.22Å; A1439-D1442 WeakPolarHBondContact O-CB 3.48Å; A1439-D1442 PolarHBondContact O-N 3.38Å; A1439-R1444 WeakPolarHBondContact O-CB 3.28Å; A1439-V1446 HydrophobicContact CB-CG2 4.27Å
1440V87.8Confident86.1Confident21 Ų2153.8 Ų53.813%0.12728%0.275CS..G310 helixtrans-64.4-24.2170.5800000113I1386 I1404 I1436 P1437 T1438 D1442 G1443 R1444 V1446I1386-V1440 HydrophobicContact CD1-CG1 4.41Å; I1386-V1440 HydrophobicContact CG2-CB 4.42Å; I1386-V1440 HydrophobicContact CG2-CG1 3.87Å; I1386-V1440 HydrophobicContact CG2-CG2 3.66Å; I1404-V1440 HydrophobicContact CD1-CG1 4.2Å; I1436-V1440 HydrophobicContact CG2-CB 4.44Å; I1436-V1440 HydrophobicContact CG2-CG1 3.88Å; P1437-V1440 PolarHBondContact O-N 3.28Å; T1438-V1440 PolarHBondContact O-N 3.49Å; V1440-D1442 VanDerWaalsContact C-N 3.26Å; V1440-D1442 PolarHBondContact O-N 2.95Å; V1440-G1443 PolarHBondContact O-N 3.22Å; V1440-G1443 VanDerWaalsContact O-N 3.09Å; V1440-R1444 WeakPolarHBondContact CA-O 3.39Å; V1440-V1446 HydrophobicContact CB-CG2 4.48Å
1441L86.7Confident87.4Confident28 Ų2849.7 Ų49.715%0.14726%0.255CS..G310 helixtrans-71.1-19.5176.9-55.4176.1000112.9V1360 L1366 I1386 Y1397 I1404 T1438 A1439 G1443V1360-L1441 HydrophobicContact CG1-CD1 3.91Å; V1360-L1441 HydrophobicContact CG2-CD1 4.31Å; L1366-L1441 HydrophobicContact CD2-CD2 3.85Å; L1366-L1441 HydrophobicContact CG-CD2 4.49Å; I1386-L1441 HydrophobicContact CD1-CD2 3.92Å; Y1397-L1441 HydrophobicContact CE2-CD1 4.5Å; I1404-L1441 HydrophobicContact CD1-CD2 4.12Å; I1404-L1441 HydrophobicContact CD1-CG 4.35Å; T1438-L1441 HydrophobicContact CG2-CD1 4.48Å; T1438-L1441 VanDerWaalsContact O-CB 3.25Å; T1438-L1441 WeakPolarHBondContact O-CB 3.4Å; T1438-L1441 VanDerWaalsContact O-CG 3.24Å; T1438-L1441 WeakPolarHBondContact O-CG 3.13Å; T1438-L1441 PolarHBondContact O-N 3.19Å; A1439-L1441 PolarHBondContact O-N 3.22Å; L1441-G1443 PolarHBondContact O-N 3.43Å
1442D83.5Confident87.4Confident86 Ų8652.6 Ų52.646%0.4627%0.271SS..G310 helixtrans-81-1171.4-61.7-21.7000112.6A1439 V1440 R1444A1439-D1442 WeakPolarHBondContact O-CB 3.48Å; A1439-D1442 PolarHBondContact O-N 3.38Å; V1440-D1442 VanDerWaalsContact C-N 3.26Å; V1440-D1442 PolarHBondContact O-N 2.95Å; D1442-R1444 HydrophobicContact CB-CG 4.11Å; D1442-R1444 IonicContact OD2-CZ 2.66Å; D1442-R1444 VanDerWaalsContact OD2-CZ 3.29Å; D1442-R1444 IonicContact OD2-NE 3.37Å; D1442-R1444 PolarHBondContact OD2-NE 2.89Å; D1442-R1444 IonicContact OD2-NH2 3.64Å; D1442-R1444 PolarHBondContact OD2-NH2 2.92Å
1443G77.7Confident87Confident52 Ų5257.3 Ų57.354%0.53629%0.293SS..THydrogen-bonded Turntrans74.627.9-169.700000114V1440 L1441V1440-G1443 PolarHBondContact O-N 3.22Å; V1440-G1443 VanDerWaalsContact O-N 3.09Å; L1441-G1443 PolarHBondContact O-N 3.43Å
1444R79.8Confident86.9Confident154 Ų15457.3 Ų57.358%0.58129%0.293SS*.  trans-86.9139.3168.9-52.5-178.1-145.7-151.14.1109.4A1439 V1440 D1442 V1446A1439-R1444 WeakPolarHBondContact O-CB 3.28Å; V1440-R1444 WeakPolarHBondContact CA-O 3.39Å; D1442-R1444 HydrophobicContact CB-CG 4.11Å; D1442-R1444 IonicContact OD2-CZ 2.66Å; D1442-R1444 VanDerWaalsContact OD2-CZ 3.29Å; D1442-R1444 IonicContact OD2-NE 3.37Å; D1442-R1444 PolarHBondContact OD2-NE 2.89Å; D1442-R1444 IonicContact OD2-NH2 3.64Å; D1442-R1444 PolarHBondContact OD2-NH2 2.92Å; R1444-V1446 HydrophobicContact CB-CG2 4.23Å
1445D79.1Confident86.6Confident167 Ų16761.7 Ų61.789%0.89331%0.313SS*.  trans-72.9131.1167.7-17418.4000110
1446V81.9Confident86.1Confident34 Ų3466.2 Ų66.221%0.20633%0.334CS..  trans-145.5122.9-175.6-169.70000110.2P1437 A1439 V1440 R1444 W1448P1437-V1446 HydrophobicContact CB-CG1 4.03Å; P1437-V1446 HydrophobicContact CG-CG1 3.68Å; A1439-V1446 HydrophobicContact CB-CG2 4.27Å; V1440-V1446 HydrophobicContact CB-CG2 4.48Å; R1444-V1446 HydrophobicContact CB-CG2 4.23Å; V1446-W1448 PolarHBondContact O-N 2.81Å
1447K84.2Confident86Confident187 Ų18766.3 Ų66.381%0.81334%0.335SS*.PPolyproline II helixtrans-61.3120.1-178-173.9172.6-176.6171.70112.5I1449K1447-I1449 PolarHBondContact O-N 2.69Å
1448W88.8Confident85.8Confident35 Ų3567.5 Ų67.513%0.13334%0.338CS..PPolyproline II helixtrans-67.9125.9176.3-66.410.4000111.2L1373 I1386 I1406 I1436 V1446L1373-W1448 HydrophobicContact CD2-CZ2 4.46Å; I1386-W1448 HydrophobicContact CG2-CZ2 4.1Å; I1386-W1448 WeakPolarHBondContact O-CH2 3.33Å; I1386-W1448 WeakPolarHBondContact O-CZ2 3.11Å; I1406-W1448 HydrophobicContact CD1-CE3 4.28Å; I1406-W1448 HydrophobicContact CD1-CH2 4.16Å; I1406-W1448 HydrophobicContact CD1-CZ3 3.78Å; I1436-W1448 HydrophobicContact CD1-CD2 3.67Å; I1436-W1448 VanDerWaalsContact CD1-CE2 3.45Å; I1436-W1448 HydrophobicContact CD1-CE3 4.09Å; I1436-W1448 HydrophobicContact CD1-CG 4.12Å; I1436-W1448 HydrophobicContact CD1-CH2 4.11Å; I1436-W1448 HydrophobicContact CD1-CZ2 3.68Å; I1436-W1448 HydrophobicContact CD1-CZ3 4.31Å; I1436-W1448 HydrophobicContact CG1-CB 4.33Å; I1436-W1448 HydrophobicContact CG1-CD2 3.88Å; I1436-W1448 HydrophobicContact CG1-CG 3.77Å; V1446-W1448 PolarHBondContact O-N 2.81Å
1449I90.5Very high85.7Confident35 Ų3567.4 Ų67.418%0.17934%0.339CS..EExtended strand (participates in β ladder)trans-85.6121.7-178.3-52.9172.2000109.4R1434 L1435 K1447 T1491 R1492R1434-I1449 CarbonylContact C-O 3.56Å; R1434-I1449 WeakPolarHBondContact CA-O 3.25Å; L1435-I1449 HydrophobicContact CB-CB 4.21Å; L1435-I1449 PolarHBondContact N-O 3.28Å; L1435-I1449 PolarHBondContact O-N 2.85Å; K1447-I1449 PolarHBondContact O-N 2.69Å; I1449-T1491 WeakPolarHBondContact CG2-O 3.31Å; I1449-R1492 HydrophobicContact CD1-CB 4Å; I1449-R1492 HydrophobicContact CD1-CG 3.57Å
1450K89.1Confident86Confident93 Ų9366.3 Ų66.340%0.40433%0.328SS..EExtended strand (participates in β ladder)trans-94.2126.2-176.6173.1171.1165-89.30110.9D1452K1450-D1452 WeakPolarHBondContact CE-OD1 3.43Å; K1450-D1452 IonicContact NZ-OD1 3.33Å; K1450-D1452 PolarHBondContact NZ-OD1 3.48Å; K1450-D1452 IonicContact NZ-OD2 3.82Å; K1450-D1452 PolarHBondContact NZ-OD2 2.96Å
1451V91.6Very high86.3Confident0 Ų065.3 Ų65.30%032%0.323CS..  trans-95.896.4-179.2-171.30000110Q1432 I1433 L1435 H1453 T1454 F1473 F1484Q1432-V1451 PolarHBondContact NE2-O 2.98Å; I1433-V1451 HydrophobicContact CB-CB 4.38Å; I1433-V1451 HydrophobicContact CB-CG2 4.43Å; I1433-V1451 HydrophobicContact CG2-CG2 4.23Å; I1433-V1451 PolarHBondContact O-N 2.87Å; I1433-V1451 VanDerWaalsContact O-N 3.11Å; L1435-V1451 HydrophobicContact CD1-CG2 4.32Å; L1435-V1451 HydrophobicContact CD2-CG2 4.46Å; L1435-V1451 HydrophobicContact CG-CG2 4.09Å; V1451-H1453 VanDerWaalsContact C-N 3.31Å; V1451-H1453 PolarHBondContact O-N 3.05Å; V1451-T1454 HydrophobicContact CB-CG2 4.03Å; V1451-T1454 HydrophobicContact CG1-CG2 3.61Å; V1451-T1454 PolarHBondContact O-N 2.89Å; V1451-T1454 VanDerWaalsContact O-N 3.11Å; V1451-T1454 PolarHBondContact O-OG1 3.32Å; V1451-F1473 HydrophobicContact CG1-CE2 4.44Å; V1451-F1473 HydrophobicContact CG1-CZ 4.38Å; V1451-F1473 HydrophobicContact CG2-CE2 4.45Å; V1451-F1473 HydrophobicContact CG2-CZ 4.18Å; V1451-F1484 HydrophobicContact CG1-CD1 4.36Å; V1451-F1484 HydrophobicContact CG1-CE1 3.68Å; V1451-F1484 HydrophobicContact CG1-CE2 4.44Å; V1451-F1484 HydrophobicContact CG1-CZ 3.73Å
1452D83.6Confident86.5Confident78 Ų7865.2 Ų65.242%0.41732%0.323SS..G310 helixtrans-67.6-21.6-168.1-92.8-53.7000116.6Q1432 K1450 T1454 K1455Q1432-D1452 VanDerWaalsContact NE2-CA 3.34Å; Q1432-D1452 PolarHBondContact NE2-OD1 2.91Å; Q1432-D1452 VanDerWaalsContact NE2-OD1 3.15Å; K1450-D1452 WeakPolarHBondContact CE-OD1 3.43Å; K1450-D1452 IonicContact NZ-OD1 3.33Å; K1450-D1452 PolarHBondContact NZ-OD1 3.48Å; K1450-D1452 IonicContact NZ-OD2 3.82Å; K1450-D1452 PolarHBondContact NZ-OD2 2.96Å; D1452-T1454 PolarHBondContact O-N 2.62Å; D1452-K1455 WeakPolarHBondContact OD1-CE 3.44Å
1453H82.6Confident86.7Confident121 Ų12161.8 Ų61.856%0.5631%0.308SS*.G310 helixtrans-77.83.6173.2-60.1-60.4000114.6V1451 F1484V1451-H1453 VanDerWaalsContact C-N 3.31Å; V1451-H1453 PolarHBondContact O-N 3.05Å; H1453-F1484 HydrophobicContact CB-CE1 4.35Å; H1453-F1484 HydrophobicContact CB-CZ 4.04Å
1454T90Very high87.1Confident0 Ų061.1 Ų61.10%030%0.295CS..G310 helixtrans-110.713.6-17665.60000114.8Q1432 I1433 V1451 D1452 Q1456 C1457 V1475 F1484Q1432-T1454 WeakPolarHBondContact CG-OG1 3.49Å; I1433-T1454 HydrophobicContact CB-CG2 4.07Å; I1433-T1454 WeakPolarHBondContact CB-OG1 3.41Å; I1433-T1454 HydrophobicContact CG1-CG2 3.9Å; I1433-T1454 PolarHBondContact N-OG1 3.3Å; V1451-T1454 HydrophobicContact CB-CG2 4.03Å; V1451-T1454 HydrophobicContact CG1-CG2 3.61Å; V1451-T1454 PolarHBondContact O-N 2.89Å; V1451-T1454 VanDerWaalsContact O-N 3.11Å; V1451-T1454 PolarHBondContact O-OG1 3.32Å; D1452-T1454 PolarHBondContact O-N 2.62Å; T1454-Q1456 PolarHBondContact O-N 3.42Å; T1454-C1457 VanDerWaalsContact O-CB 3.26Å; T1454-C1457 WeakPolarHBondContact O-CB 3.43Å; T1454-C1457 PolarHBondContact O-N 3.05Å; T1454-C1457 PolarHBondContact O-SG 3.01Å; T1454-V1475 HydrophobicContact CG2-CB 4.18Å; T1454-V1475 HydrophobicContact CG2-CG1 3.94Å; T1454-V1475 HydrophobicContact CG2-CG2 3.96Å; T1454-F1484 HydrophobicContact CG2-CE2 3.61Å; T1454-F1484 HydrophobicContact CG2-CZ 3.61Å
1455K85.8Confident86.8Confident121 Ų12154.8 Ų54.853%0.52627%0.274SS..THydrogen-bonded Turntrans-58.7137.8173.9-65.6-180-179.1-178.60110.7H1431 D1452 C1457H1431-K1455 CarbonylContact O-C 3.49Å; H1431-K1455 WeakPolarHBondContact O-CA 3.44Å; D1452-K1455 WeakPolarHBondContact OD1-CE 3.44Å; K1455-C1457 VanDerWaalsContact C-N 3.3Å
1456Q83.4Confident86Confident95 Ų9552.1 Ų52.144%0.44426%0.259SS..THydrogen-bonded Turntrans63.929.7-175.1-51.8-178.7-22.800113.5H1431 T1454H1431-Q1456 PolarHBondContact O-N 2.94Å; T1454-Q1456 PolarHBondContact O-N 3.42Å
1457C89.5Confident85Confident1 Ų157.8 Ų57.81%0.00729%0.288CS..  trans-70147170.463.90000112.2M1407 H1431 T1454 K1455 V1475 A1476 V1477M1407-C1457 HydrophobicContact SD-CB 4.49Å; M1407-C1457 VanDerWaalsContact SD-SG 3.63Å; H1431-C1457 VanDerWaalsContact CB-O 3.23Å; H1431-C1457 WeakPolarHBondContact CB-O 3.34Å; H1431-C1457 PolarHBondContact ND1-O 3.14Å; T1454-C1457 VanDerWaalsContact O-CB 3.26Å; T1454-C1457 WeakPolarHBondContact O-CB 3.43Å; T1454-C1457 PolarHBondContact O-N 3.05Å; T1454-C1457 PolarHBondContact O-SG 3.01Å; K1455-C1457 VanDerWaalsContact C-N 3.3Å; C1457-V1475 HydrophobicContact CB-CG1 3.36Å; C1457-A1476 VanDerWaalsContact CA-O 3.26Å; C1457-A1476 WeakPolarHBondContact CA-O 3.49Å; C1457-V1477 HydrophobicContact CB-CG2 4.11Å
1458H87.2Confident84Confident55 Ų5550.7 Ų50.726%0.25527%0.268SS..  trans-125.9-15.5-178.368-99.3000114.2A1476 F1504 P1505H1458-A1476 PolarHBondContact N-O 2.79Å; H1458-F1504 HydrophobicContact CB-CZ 4.43Å; H1458-F1504 AromaticContact CD2-CE1 3.75Å; H1458-F1504 AromaticContact CD2-CZ 3.46Å; H1458-F1504 VanDerWaalsContact CD2-CZ 3.46Å; H1458-F1504 WeakPolarHBondContact CD2-CZ 3.17Å; H1458-F1504 AromaticContact CE1-CE2 3.34Å; H1458-F1504 WeakPolarHBondContact CE1-CE2 3.48Å; H1458-F1504 AromaticContact CE1-CZ 3.32Å; H1458-F1504 WeakPolarHBondContact CE1-CZ 3.34Å; H1458-F1504 AromaticContact CG-CZ 3.62Å; H1458-F1504 AromaticContact ND1-CE2 3.69Å; H1458-F1504 AromaticContact ND1-CZ 3.57Å; H1458-F1504 AromaticContact NE2-CE1 3.51Å; H1458-F1504 AromaticContact NE2-CE2 3.72Å; H1458-F1504 AromaticContact NE2-CZ 3.26Å; H1458-F1504 VanDerWaalsContact NE2-CZ 3.26Å; H1458-F1504 WeakPolarHBondContact NE2-CZ 3.45Å; H1458-P1505 PolarHBondContact NE2-O 3.34Å
1459A90Very high83.2Confident21 Ų2154.8 Ų54.817%0.17430%0.297CS..EExtended strand (participates in β ladder)trans-152.3153.7170.100000110.1A1476 L1508A1459-A1476 HydrophobicContact CB-CB 4.35Å; A1459-A1476 PolarHBondContact O-N 3.01Å; A1459-L1508 HydrophobicContact CB-CD1 3.8Å; A1459-L1508 HydrophobicContact CB-CG 4.28Å
1460F93.8Very high82.7Confident8 Ų854.2 Ų54.24%0.03530%0.298CS..EExtended strand (participates in β ladder)trans-142.9162.4164.780-82.6000112.2A1394 E1396 I1405 M1407 I1433 V1462 C1474 V1475 R1636A1394-F1460 HydrophobicContact CB-CD1 4.31Å; A1394-F1460 HydrophobicContact CB-CE1 3.66Å; A1394-F1460 HydrophobicContact CB-CZ 4.48Å; E1396-F1460 HydrophobicContact CB-CE2 4.03Å; E1396-F1460 HydrophobicContact CB-CZ 4.34Å; E1396-F1460 HydrophobicContact CG-CD2 4.36Å; E1396-F1460 HydrophobicContact CG-CE2 3.44Å; E1396-F1460 VanDerWaalsContact CG-CE2 3.44Å; E1396-F1460 HydrophobicContact CG-CZ 3.77Å; I1405-F1460 HydrophobicContact CB-CE2 4.15Å; I1405-F1460 HydrophobicContact CB-CZ 4.49Å; I1405-F1460 HydrophobicContact CG2-CD2 4.21Å; I1405-F1460 HydrophobicContact CG2-CE2 3.5Å; I1405-F1460 HydrophobicContact CG2-CZ 3.93Å; M1407-F1460 HydrophobicContact CB-CD1 3.98Å; M1407-F1460 HydrophobicContact CB-CE1 3.78Å; I1433-F1460 HydrophobicContact CD1-CB 4.11Å; I1433-F1460 HydrophobicContact CD1-CD1 3.57Å; I1433-F1460 HydrophobicContact CD1-CE1 4.08Å; I1433-F1460 HydrophobicContact CD1-CG 3.86Å; F1460-V1462 HydrophobicContact CD2-CG2 4Å; F1460-V1462 HydrophobicContact CE2-CG2 3.81Å; F1460-C1474 CarbonylContact C-O 3.22Å; F1460-C1474 WeakPolarHBondContact CA-O 3.47Å; F1460-C1474 WeakPolarHBondContact CB-O 3.29Å; F1460-V1475 HydrophobicContact CB-CG2 4.16Å; F1460-R1636 PolarHBondContact O-NH2 2.84Å
1461C92.5Very high82.7Confident1 Ų152 Ų521%0.00729%0.287CS..EExtended strand (participates in β ladder)trans-139.3158.116670.20000110.5F1473 C1474 L1508C1461-F1473 CarbonylContact O-C 3.45Å; C1461-F1473 VanDerWaalsContact O-CA 3.3Å; C1461-F1473 WeakPolarHBondContact O-CA 3.13Å; C1461-C1474 PolarHBondContact N-O 3.43Å; C1461-C1474 PolarHBondContact O-N 3.04Å; C1461-L1508 HydrophobicContact CB-CB 3.89Å
1462V91.9Very high82.6Confident26 Ų2653.7 Ų53.716%0.15829%0.294CS..EExtended strand (participates in β ladder)trans-125149.5176.3-173.90000108.4E1396 V1398 I1405 F1460 Y1472 F1473 I1486E1396-V1462 HydrophobicContact CB-CB 4.4Å; E1396-V1462 HydrophobicContact CB-CG2 3.83Å; E1396-V1462 HydrophobicContact CG-CB 4.39Å; E1396-V1462 HydrophobicContact CG-CG2 3.83Å; V1398-V1462 HydrophobicContact CG2-CG1 3.83Å; I1405-V1462 HydrophobicContact CD1-CG1 4.47Å; I1405-V1462 HydrophobicContact CD1-CG2 3.98Å; F1460-V1462 HydrophobicContact CD2-CG2 4Å; F1460-V1462 HydrophobicContact CE2-CG2 3.81Å; V1462-Y1472 WeakPolarHBondContact CA-O 3.45Å; V1462-F1473 HydrophobicContact CG2-CB 3.89Å; V1462-I1486 HydrophobicContact CG1-CD1 4.29Å
1463G87.8Confident83.1Confident14 Ų1450 Ų5014%0.14427%0.274CS..EExtended strand (participates in β ladder)trans177.4164.7171.300000112.3Y1472G1463-Y1472 PolarHBondContact N-O 3.41Å; G1463-Y1472 PolarHBondContact O-N 3.02Å
1464S85Confident83.6Confident38 Ų3844.2 Ų44.227%0.26625%0.247SC..EExtended strand (participates in β ladder)trans-93.4156.7174.548.80000112A1470 G1513S1464-A1470 VanDerWaalsContact CA-O 3.29Å; S1464-A1470 WeakPolarHBondContact CA-O 3.48Å; S1464-A1470 WeakPolarHBondContact CB-O 3.33Å; S1464-G1513 WeakPolarHBondContact O-CA 3.3Å
1465V74.7Confident83.8Confident21 Ų2144.2 Ų44.213%0.12725%0.247CC..  trans-77.8159.3165.1165.90000109.3N1467 G1468 A1470 Y1472 F1528 V1529V1465-N1467 PolarHBondContact O-N 2.81Å; V1465-G1468 PolarHBondContact O-N 2.95Å; V1465-A1470 PolarHBondContact N-O 2.92Å; V1465-Y1472 HydrophobicContact CB-CE2 3.91Å; V1465-Y1472 HydrophobicContact CG2-CD2 3.73Å; V1465-Y1472 HydrophobicContact CG2-CE2 3.32Å; V1465-F1528 HydrophobicContact CG2-CD2 4.15Å; V1465-V1529 HydrophobicContact CG1-CG2 4.25Å
1466L62.2Low84.2Confident110 Ų11038.4 Ų38.458%0.57622%0.222SC*.THydrogen-bonded Turntrans-40.7133176.6-78.6155.5000112.3G1468 R1512L1466-G1468 VanDerWaalsContact C-N 3.34Å; L1466-R1512 WeakPolarHBondContact CD1-O 3.31Å; L1466-R1512 WeakPolarHBondContact CG-O 3.39Å
1467N61.6Low84.5Confident153 Ų15334.9 Ų34.982%0.81821%0.207SC*.THydrogen-bonded Turntrans71.29.8-172.5-52.3-16.2000116.5V1465 T1469V1465-N1467 PolarHBondContact O-N 2.81Å; N1467-T1469 HydrophobicContact CB-CG2 4.49Å; N1467-T1469 PolarHBondContact O-N 2.86Å; N1467-T1469 VanDerWaalsContact O-N 3.14Å
1468G62.6Low84.3Confident39 Ų3940.8 Ų40.840%0.40223%0.233SC..SBendtrans71.49166.300000115.8V1465 L1466 A1470V1465-G1468 PolarHBondContact O-N 2.95Å; L1466-G1468 VanDerWaalsContact C-N 3.34Å; G1468-A1470 VanDerWaalsContact C-N 3.3Å; G1468-A1470 PolarHBondContact O-N 2.89Å
1469T70.8Confident84.4Confident120 Ų12044.3 Ų44.374%0.73625%0.247SC*.SBendtrans-70.9-20.4-170.4510000114.6N1467N1467-T1469 HydrophobicContact CB-CG2 4.49Å; N1467-T1469 PolarHBondContact O-N 2.86Å; N1467-T1469 VanDerWaalsContact O-N 3.14Å
1470A80.6Confident84.5Confident24 Ų2446 Ų4620%0.19826%0.255CS..  trans-153.1143.7173.900000110.9S1464 V1465 G1468 Y1472S1464-A1470 VanDerWaalsContact CA-O 3.29Å; S1464-A1470 WeakPolarHBondContact CA-O 3.48Å; S1464-A1470 WeakPolarHBondContact CB-O 3.33Å; V1465-A1470 PolarHBondContact N-O 2.92Å; G1468-A1470 VanDerWaalsContact C-N 3.3Å; G1468-A1470 PolarHBondContact O-N 2.89Å; A1470-Y1472 HydrophobicContact CB-CE2 3.75Å; A1470-Y1472 WeakPolarHBondContact CB-OH 3.22Å; A1470-Y1472 WeakPolarHBondContact O-CE2 3.44Å
1471Y88.3Confident84.4Confident45 Ų4545.6 Ų45.618%0.17625%0.253CS..EExtended strand (participates in β ladder)trans-100.3144.1174.1-81.4-86.9000111.3V1398 D1400 E1401 I1486V1398-Y1471 HydrophobicContact CG1-CD1 4.14Å; V1398-Y1471 HydrophobicContact CG1-CE1 4.17Å; V1398-Y1471 HydrophobicContact CG1-CG 4.5Å; D1400-Y1471 HydrophobicContact CB-CE2 3.91Å; D1400-Y1471 PolarHBondContact OD2-OH 3.14Å; E1401-Y1471 HydrophobicContact CG-CD2 3.95Å; E1401-Y1471 HydrophobicContact CG-CG 4.34Å; Y1471-I1486 PolarHBondContact O-N 3.03Å
1472Y90.8Very high84.4Confident36 Ų3645.9 Ų45.914%0.14126%0.255CS..EExtended strand (participates in β ladder)trans-131.4146.5-179.1-56.9-85.8000110.6V1462 G1463 V1465 A1470 F1484 E1485 L1496 F1528V1462-Y1472 WeakPolarHBondContact CA-O 3.45Å; G1463-Y1472 PolarHBondContact N-O 3.41Å; G1463-Y1472 PolarHBondContact O-N 3.02Å; V1465-Y1472 HydrophobicContact CB-CE2 3.91Å; V1465-Y1472 HydrophobicContact CG2-CD2 3.73Å; V1465-Y1472 HydrophobicContact CG2-CE2 3.32Å; A1470-Y1472 HydrophobicContact CB-CE2 3.75Å; A1470-Y1472 WeakPolarHBondContact CB-OH 3.22Å; A1470-Y1472 WeakPolarHBondContact O-CE2 3.44Å; Y1472-F1484 CarbonylContact C-O 3.54Å; Y1472-F1484 WeakPolarHBondContact CA-O 3.46Å; Y1472-F1484 WeakPolarHBondContact CB-O 3.11Å; Y1472-E1485 HydrophobicContact CD1-CB 3.92Å; Y1472-E1485 HydrophobicContact CD1-CG 4.37Å; Y1472-E1485 HydrophobicContact CE1-CB 3.84Å; Y1472-E1485 HydrophobicContact CE1-CG 3.94Å; Y1472-L1496 HydrophobicContact CD1-CD1 3.93Å; Y1472-L1496 HydrophobicContact CE1-CD1 3.69Å; Y1472-F1528 HydrophobicContact CG-CE2 4.42Å
1473F93.1Very high84.4Confident0 Ų044.6 Ų44.60%025%0.248CC..EExtended strand (participates in β ladder)trans-122.3133165.769.2-85.1000110.5I1405 I1433 L1435 V1451 C1461 V1462 V1475 F1484 I1486 H1493I1405-F1473 HydrophobicContact CD1-CB 4.47Å; I1405-F1473 HydrophobicContact CD1-CD1 4.44Å; I1433-F1473 HydrophobicContact CG2-CD2 4.47Å; I1433-F1473 HydrophobicContact CG2-CE2 4.14Å; L1435-F1473 HydrophobicContact CD1-CE1 4.46Å; L1435-F1473 HydrophobicContact CD2-CE1 4.23Å; L1435-F1473 HydrophobicContact CD2-CZ 4.21Å; V1451-F1473 HydrophobicContact CG1-CE2 4.44Å; V1451-F1473 HydrophobicContact CG1-CZ 4.38Å; V1451-F1473 HydrophobicContact CG2-CE2 4.45Å; V1451-F1473 HydrophobicContact CG2-CZ 4.18Å; C1461-F1473 CarbonylContact O-C 3.45Å; C1461-F1473 VanDerWaalsContact O-CA 3.3Å; C1461-F1473 WeakPolarHBondContact O-CA 3.13Å; V1462-F1473 HydrophobicContact CG2-CB 3.89Å; F1473-V1475 HydrophobicContact CD2-CG2 3.68Å; F1473-V1475 HydrophobicContact CE2-CG2 4.05Å; F1473-F1484 HydrophobicContact CD1-CB 3.74Å; F1473-F1484 HydrophobicContact CD2-CB 4.06Å; F1473-F1484 AromaticContact CD2-CD2 3.76Å; F1473-F1484 HydrophobicContact CD2-CD2 3.76Å; F1473-F1484 HydrophobicContact CD2-CG 4.18Å; F1473-F1484 HydrophobicContact CE1-CB 3.43Å; F1473-F1484 VanDerWaalsContact CE1-CB 3.43Å; F1473-F1484 HydrophobicContact CE1-CG 4.09Å; F1473-F1484 HydrophobicContact CE2-CB 3.77Å; F1473-F1484 HydrophobicContact CE2-CD1 4.33Å; F1473-F1484 AromaticContact CE2-CD2 3.37Å; F1473-F1484 HydrophobicContact CE2-CD2 3.37Å; F1473-F1484 AromaticContact CE2-CE2 3.96Å; F1473-F1484 HydrophobicContact CE2-CE2 3.96Å; F1473-F1484 AromaticContact CE2-CG 3.59Å; F1473-F1484 HydrophobicContact CE2-CG 3.59Å; F1473-F1484 HydrophobicContact CG-CB 4.05Å; F1473-F1484 HydrophobicContact CZ-CB 3.44Å; F1473-F1484 VanDerWaalsContact CZ-CB 3.44Å; F1473-F1484 HydrophobicContact CZ-CD1 4.04Å; F1473-F1484 AromaticContact CZ-CD2 3.87Å; F1473-F1484 HydrophobicContact CZ-CD2 3.87Å; F1473-F1484 AromaticContact CZ-CG 3.54Å; F1473-F1484 HydrophobicContact CZ-CG 3.54Å; F1473-F1484 PolarHBondContact N-O 2.7Å; F1473-F1484 PolarHBondContact O-N 2.76Å; F1473-I1486 HydrophobicContact CD1-CD1 4.3Å; F1473-I1486 HydrophobicContact CD1-CG1 3.71Å; F1473-I1486 HydrophobicContact CE1-CG1 4.23Å; F1473-H1493 HydrophobicContact CE1-CB 3.72Å; F1473-H1493 HydrophobicContact CZ-CB 3.9Å
1474C94Very high84.7Confident0 Ų044 Ų440%024%0.241CC..EExtended strand (participates in β ladder)trans-116.9128.1-174.3-57.80000108.7F1460 C1461 I1481 L1515 F1528F1460-C1474 CarbonylContact C-O 3.22Å; F1460-C1474 WeakPolarHBondContact CA-O 3.47Å; F1460-C1474 WeakPolarHBondContact CB-O 3.29Å; C1461-C1474 PolarHBondContact N-O 3.43Å; C1461-C1474 PolarHBondContact O-N 3.04Å; C1474-I1481 HydrophobicContact CB-CG2 3.94Å; C1474-L1515 HydrophobicContact CB-CD1 3.9Å; C1474-L1515 HydrophobicContact CB-CD2 4.22Å; C1474-F1528 VanDerWaalsContact SG-CZ 3.6Å
1475V94.3Very high85Confident0 Ų043.6 Ų43.60%024%0.235CC..EExtended strand (participates in β ladder)trans-125.2117.7-168.9-171.90000110I1433 T1454 C1457 F1460 F1473 V1477 I1481 T1482 F1484I1433-V1475 HydrophobicContact CD1-CG1 4.4Å; I1433-V1475 HydrophobicContact CG1-CG1 3.89Å; I1433-V1475 HydrophobicContact CG1-CG2 3.91Å; T1454-V1475 HydrophobicContact CG2-CB 4.18Å; T1454-V1475 HydrophobicContact CG2-CG1 3.94Å; T1454-V1475 HydrophobicContact CG2-CG2 3.96Å; C1457-V1475 HydrophobicContact CB-CG1 3.36Å; F1460-V1475 HydrophobicContact CB-CG2 4.16Å; F1473-V1475 HydrophobicContact CD2-CG2 3.68Å; F1473-V1475 HydrophobicContact CE2-CG2 4.05Å; V1475-V1477 HydrophobicContact CG1-CG2 4.45Å; V1475-I1481 CarbonylContact O-C 3.51Å; V1475-I1481 WeakPolarHBondContact O-CA 3.36Å; V1475-T1482 PolarHBondContact N-O 3.24Å; V1475-T1482 PolarHBondContact O-N 3.11Å; V1475-F1484 HydrophobicContact CB-CE2 4.25Å; V1475-F1484 HydrophobicContact CG2-CD2 4.01Å; V1475-F1484 HydrophobicContact CG2-CE2 3.82Å
1476A93.1Very high85.8Confident0 Ų043 Ų430%023%0.231CC..EExtended strand (participates in β ladder)trans-80.2130.9174.400000111.1C1457 H1458 A1459 I1481 P1505 L1508C1457-A1476 VanDerWaalsContact CA-O 3.26Å; C1457-A1476 WeakPolarHBondContact CA-O 3.49Å; H1458-A1476 PolarHBondContact N-O 2.79Å; A1459-A1476 HydrophobicContact CB-CB 4.35Å; A1459-A1476 PolarHBondContact O-N 3.01Å; A1476-I1481 HydrophobicContact CB-CG1 4.08Å; A1476-P1505 HydrophobicContact CB-CB 3.86Å; A1476-P1505 HydrophobicContact CB-CG 4.08Å; A1476-L1508 HydrophobicContact CB-CD1 3.94Å
1477V90Very high87Confident21 Ų2139.1 Ų39.113%0.12721%0.211CC..EExtended strand (participates in β ladder)trans-135.1113.1172.8-178.20000107C1457 V1475 K1479 T1480C1457-V1477 HydrophobicContact CB-CG2 4.11Å; V1475-V1477 HydrophobicContact CG1-CG2 4.45Å; V1477-K1479 PolarHBondContact O-N 3.15Å; V1477-K1479 VanDerWaalsContact O-N 3.09Å; V1477-T1480 CarbonylContact C-O 3.56Å; V1477-T1480 PolarHBondContact N-O 2.88Å; V1477-T1480 PolarHBondContact O-N 3.28Å; V1477-T1480 PolarHBondContact O-OG1 2.97Å
1478K86.1Confident88.1Confident125 Ų12541.9 Ų41.954%0.54321%0.21SC..THydrogen-bonded Turntrans56.5-109180-58.7172.3-175.2168.60112.4F1504 P1505K1478-F1504 WeakPolarHBondContact O-CD2 3.49Å; K1478-P1505 WeakPolarHBondContact O-CD 3.32Å
1479K89.8Confident89.2Confident128 Ų12842.9 Ų42.956%0.55721%0.208SC*.THydrogen-bonded Turntrans-112.124.5177.1-65.9-167.4177.7-170.20113V1477 M1501V1477-K1479 PolarHBondContact O-N 3.15Å; V1477-K1479 VanDerWaalsContact O-N 3.09Å; K1479-M1501 WeakPolarHBondContact O-CB 3.48Å; K1479-M1501 PolarHBondContact O-N 2.66Å
1480T91.4Very high89.7Confident56 Ų5643.4 Ų43.434%0.34421%0.213SC..EExtended strand (participates in β ladder)trans-133.5147.2-179.945.80000110.9V1477 L1499V1477-T1480 CarbonylContact C-O 3.56Å; V1477-T1480 PolarHBondContact N-O 2.88Å; V1477-T1480 PolarHBondContact O-N 3.28Å; V1477-T1480 PolarHBondContact O-OG1 2.97Å; T1480-L1499 CarbonylContact C-O 3.57Å; T1480-L1499 VanDerWaalsContact CA-O 3.28Å; T1480-L1499 WeakPolarHBondContact CA-O 3.31Å
1481I92.6Very high89.9Confident0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-117.2117.3170.1-63.8164.4000108.8C1474 V1475 A1476 D1498 L1499 M1501 P1505 L1508 L1515 V1517C1474-I1481 HydrophobicContact CB-CG2 3.94Å; V1475-I1481 CarbonylContact O-C 3.51Å; V1475-I1481 WeakPolarHBondContact O-CA 3.36Å; A1476-I1481 HydrophobicContact CB-CG1 4.08Å; I1481-D1498 CarbonylContact O-C 3.57Å; I1481-D1498 WeakPolarHBondContact O-CA 3.32Å; I1481-L1499 HydrophobicContact CB-CB 4.4Å; I1481-L1499 PolarHBondContact N-O 2.7Å; I1481-L1499 PolarHBondContact O-N 3.11Å; I1481-M1501 HydrophobicContact CD1-CG 4.1Å; I1481-M1501 HydrophobicContact CD1-SD 3.64Å; I1481-M1501 HydrophobicContact CG1-CG 4.24Å; I1481-M1501 HydrophobicContact CG1-SD 4.38Å; I1481-P1505 HydrophobicContact CD1-CB 4.43Å; I1481-P1505 HydrophobicContact CD1-CG 4.23Å; I1481-P1505 HydrophobicContact CG1-CG 4.14Å; I1481-L1508 HydrophobicContact CD1-CD2 3.49Å; I1481-L1508 VanDerWaalsContact CD1-CD2 3.49Å; I1481-L1508 HydrophobicContact CG1-CD2 4.24Å; I1481-L1515 HydrophobicContact CD1-CD2 4.47Å; I1481-L1515 HydrophobicContact CG2-CD2 4.12Å; I1481-V1517 HydrophobicContact CD1-CB 4.23Å; I1481-V1517 HydrophobicContact CD1-CG1 3.7Å; I1481-V1517 HydrophobicContact CD1-CG2 3.47Å; I1481-V1517 VanDerWaalsContact CD1-CG2 3.47Å
1482T92.7Very high90Very high7 Ų745.4 Ų45.44%0.04322%0.223CC..EExtended strand (participates in β ladder)trans-83.8123.4171.2-56.70000109.2V1475 F1484 K1495 D1498V1475-T1482 PolarHBondContact N-O 3.24Å; V1475-T1482 PolarHBondContact O-N 3.11Å; T1482-F1484 HydrophobicContact CG2-CD2 3.96Å; T1482-F1484 HydrophobicContact CG2-CE1 3.99Å; T1482-F1484 HydrophobicContact CG2-CE2 3.35Å; T1482-F1484 HydrophobicContact CG2-CZ 3.37Å; T1482-K1495 HydrophobicContact CG2-CD 3.63Å; T1482-K1495 HydrophobicContact CG2-CG 3.8Å; T1482-D1498 WeakPolarHBondContact CA-OD1 3.47Å; T1482-D1498 VanDerWaalsContact CB-OD1 3.31Å; T1482-D1498 WeakPolarHBondContact CB-OD1 3.32Å; T1482-D1498 WeakPolarHBondContact CG2-OD1 3.26Å; T1482-D1498 PolarHBondContact OG1-OD1 2.99Å
1483V91.9Very high90Very high0 Ų045.1 Ų45.10%022%0.223CC..EExtended strand (participates in β ladder)trans-94.6125.3174.6-177.30000109L1496 R1497 L1499 F1528V1483-L1496 HydrophobicContact CG1-CD1 4.31Å; V1483-L1496 PolarHBondContact O-N 3.44Å; V1483-R1497 HydrophobicContact CB-CG 4.15Å; V1483-R1497 HydrophobicContact CG2-CG 4.3Å; V1483-R1497 PolarHBondContact N-O 2.92Å; V1483-L1499 HydrophobicContact CG2-CD1 3.84Å; V1483-L1499 HydrophobicContact CG2-CG 4.13Å; V1483-F1528 HydrophobicContact CG1-CE1 4.18Å; V1483-F1528 HydrophobicContact CG1-CE2 4.09Å; V1483-F1528 HydrophobicContact CG1-CZ 3.75Å; V1483-F1528 HydrophobicContact CG2-CE1 3.92Å; V1483-F1528 HydrophobicContact CG2-CZ 3.97Å
1484F93.1Very high89.9Confident0 Ų051.6 Ų51.60%025%0.248CC..EExtended strand (participates in β ladder)trans-116.6142.8174-57.8-95000110.5V1451 H1453 T1454 Y1472 F1473 V1475 T1482 H1493 R1494 K1495V1451-F1484 HydrophobicContact CG1-CD1 4.36Å; V1451-F1484 HydrophobicContact CG1-CE1 3.68Å; V1451-F1484 HydrophobicContact CG1-CE2 4.44Å; V1451-F1484 HydrophobicContact CG1-CZ 3.73Å; H1453-F1484 HydrophobicContact CB-CE1 4.35Å; H1453-F1484 HydrophobicContact CB-CZ 4.04Å; T1454-F1484 HydrophobicContact CG2-CE2 3.61Å; T1454-F1484 HydrophobicContact CG2-CZ 3.61Å; Y1472-F1484 CarbonylContact C-O 3.54Å; Y1472-F1484 WeakPolarHBondContact CA-O 3.46Å; Y1472-F1484 WeakPolarHBondContact CB-O 3.11Å; F1473-F1484 HydrophobicContact CD1-CB 3.74Å; F1473-F1484 HydrophobicContact CD2-CB 4.06Å; F1473-F1484 AromaticContact CD2-CD2 3.76Å; F1473-F1484 HydrophobicContact CD2-CD2 3.76Å; F1473-F1484 HydrophobicContact CD2-CG 4.18Å; F1473-F1484 HydrophobicContact CE1-CB 3.43Å; F1473-F1484 VanDerWaalsContact CE1-CB 3.43Å; F1473-F1484 HydrophobicContact CE1-CG 4.09Å; F1473-F1484 HydrophobicContact CE2-CB 3.77Å; F1473-F1484 HydrophobicContact CE2-CD1 4.33Å; F1473-F1484 AromaticContact CE2-CD2 3.37Å; F1473-F1484 HydrophobicContact CE2-CD2 3.37Å; F1473-F1484 AromaticContact CE2-CE2 3.96Å; F1473-F1484 HydrophobicContact CE2-CE2 3.96Å; F1473-F1484 AromaticContact CE2-CG 3.59Å; F1473-F1484 HydrophobicContact CE2-CG 3.59Å; F1473-F1484 HydrophobicContact CG-CB 4.05Å; F1473-F1484 HydrophobicContact CZ-CB 3.44Å; F1473-F1484 VanDerWaalsContact CZ-CB 3.44Å; F1473-F1484 HydrophobicContact CZ-CD1 4.04Å; F1473-F1484 AromaticContact CZ-CD2 3.87Å; F1473-F1484 HydrophobicContact CZ-CD2 3.87Å; F1473-F1484 AromaticContact CZ-CG 3.54Å; F1473-F1484 HydrophobicContact CZ-CG 3.54Å; F1473-F1484 PolarHBondContact N-O 2.7Å; F1473-F1484 PolarHBondContact O-N 2.76Å; V1475-F1484 HydrophobicContact CB-CE2 4.25Å; V1475-F1484 HydrophobicContact CG2-CD2 4.01Å; V1475-F1484 HydrophobicContact CG2-CE2 3.82Å; T1482-F1484 HydrophobicContact CG2-CD2 3.96Å; T1482-F1484 HydrophobicContact CG2-CE1 3.99Å; T1482-F1484 HydrophobicContact CG2-CE2 3.35Å; T1482-F1484 HydrophobicContact CG2-CZ 3.37Å; F1484-H1493 AromaticContact CD1-CD2 3.84Å; F1484-R1494 CarbonylContact C-O 3.59Å; F1484-R1494 VanDerWaalsContact CA-O 3.31Å; F1484-R1494 WeakPolarHBondContact CA-O 3.32Å; F1484-K1495 HydrophobicContact CD1-CB 3.84Å; F1484-K1495 HydrophobicContact CE1-CB 3.84Å; F1484-K1495 HydrophobicContact CE1-CG 4.38Å
1485E91.3Very high89.8Confident31 Ų3155.3 Ų55.315%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-92135.5166.4177.8-167-104.500109Y1472 H1493 R1494 L1496Y1472-E1485 HydrophobicContact CD1-CB 3.92Å; Y1472-E1485 HydrophobicContact CD1-CG 4.37Å; Y1472-E1485 HydrophobicContact CE1-CB 3.84Å; Y1472-E1485 HydrophobicContact CE1-CG 3.94Å; E1485-H1493 CarbonylContact O-C 3.57Å; E1485-H1493 VanDerWaalsContact O-CA 3.25Å; E1485-H1493 WeakPolarHBondContact O-CA 3.36Å; E1485-R1494 HydrophobicContact CB-CB 4.48Å; E1485-R1494 PolarHBondContact N-O 2.72Å; E1485-R1494 PolarHBondContact O-N 3.31Å; E1485-R1494 IonicContact OE1-CZ 2.96Å; E1485-R1494 IonicContact OE1-NE 3.79Å; E1485-R1494 IonicContact OE1-NH2 2.85Å; E1485-R1494 PolarHBondContact OE1-NH2 3.3Å; E1485-R1494 IonicContact OE2-CZ 3.35Å; E1485-R1494 IonicContact OE2-NE 3.2Å; E1485-R1494 PolarHBondContact OE2-NE 3.34Å; E1485-R1494 IonicContact OE2-NH2 3.85Å; E1485-R1494 PolarHBondContact OE2-NH2 3.07Å; E1485-L1496 HydrophobicContact CB-CD1 4.08Å; E1485-L1496 HydrophobicContact CB-CD2 4.17Å; E1485-L1496 HydrophobicContact CB-CG 4.13Å
1486I91.2Very high89.5Confident9 Ų958.5 Ų58.55%0.04628%0.28CS..EExtended strand (participates in β ladder)trans-81135.5168.2-57.1-176.8000108E1401 L1403 I1405 V1462 Y1471 F1473E1401-I1486 HydrophobicContact CB-CG2 4.13Å; E1401-I1486 HydrophobicContact CG-CG2 3.82Å; E1401-I1486 WeakPolarHBondContact OE2-CG2 3.29Å; L1403-I1486 HydrophobicContact CD1-CG2 3.73Å; I1405-I1486 HydrophobicContact CD1-CD1 3.69Å; V1462-I1486 HydrophobicContact CG1-CD1 4.29Å; Y1471-I1486 PolarHBondContact O-N 3.03Å; F1473-I1486 HydrophobicContact CD1-CD1 4.3Å; F1473-I1486 HydrophobicContact CD1-CG1 3.71Å; F1473-I1486 HydrophobicContact CE1-CG1 4.23Å
1487N87.8Confident89.3Confident27 Ų2761.6 Ų61.614%0.14429%0.292CS..  trans-145177.7-179.466.342.2000112T1489 R1492 H1493 R1494N1487-T1489 WeakPolarHBondContact OD1-CB 3.46Å; N1487-T1489 WeakPolarHBondContact OD1-CG2 3.27Å; N1487-T1489 PolarHBondContact OD1-N 2.98Å; N1487-T1489 PolarHBondContact OD1-OG1 3.35Å; N1487-R1492 PolarHBondContact N-O 2.84Å; N1487-R1492 CarbonylContact O-C 3.5Å; N1487-R1492 WeakPolarHBondContact O-CA 3.39Å; N1487-R1492 WeakPolarHBondContact O-CD 3.23Å; N1487-R1492 PolarHBondContact O-NE 3.04Å; N1487-H1493 PolarHBondContact ND2-O 2.9Å; N1487-H1493 PolarHBondContact OD1-N 3.3Å; N1487-R1494 WeakPolarHBondContact ND2-CB 3.22Å; N1487-R1494 PolarHBondContact ND2-N 2.8Å
1488R84.4Confident89.3Confident212 Ų21264.6 Ų64.680%0.831%0.308SS*.SBendtrans-97.520-178.1-59.5-175.8-179.4-171-2.1113.9
1489T85.4Confident89.5Confident59 Ų5959.3 Ų59.336%0.36229%0.285SS..SBendtrans-75.8164.9171.469.90000110.9N1487 T1491 R1492N1487-T1489 WeakPolarHBondContact OD1-CB 3.46Å; N1487-T1489 WeakPolarHBondContact OD1-CG2 3.27Å; N1487-T1489 PolarHBondContact OD1-N 2.98Å; N1487-T1489 PolarHBondContact OD1-OG1 3.35Å; T1489-T1491 PolarHBondContact O-N 3.39Å; T1489-T1491 VanDerWaalsContact O-N 3.09Å; T1489-T1491 PolarHBondContact OG1-N 3.38Å; T1489-T1491 PolarHBondContact OG1-OG1 2.86Å; T1489-T1491 VanDerWaalsContact OG1-OG1 3.05Å; T1489-R1492 WeakPolarHBondContact O-CA 3.2Å; T1489-R1492 WeakPolarHBondContact O-CD 3.42Å; T1489-R1492 PolarHBondContact O-N 3.49Å; T1489-R1492 PolarHBondContact OG1-N 3.33Å
1490P81.7Confident89.4Confident131 Ų13157 Ų5785%0.85129%0.29SS*.THydrogen-bonded Turntrans-58.7-20.6175.4-27.136.5000115.3
1491T84.9Confident89.2Confident70 Ų7055 Ų5543%0.42928%0.277SS..THydrogen-bonded Turntrans-88.7-9.3173.161.70000113.1I1449 T1489 H1493I1449-T1491 WeakPolarHBondContact CG2-O 3.31Å; T1489-T1491 PolarHBondContact O-N 3.39Å; T1489-T1491 VanDerWaalsContact O-N 3.09Å; T1489-T1491 PolarHBondContact OG1-N 3.38Å; T1489-T1491 PolarHBondContact OG1-OG1 2.86Å; T1489-T1491 VanDerWaalsContact OG1-OG1 3.05Å; T1491-H1493 PolarHBondContact O-N 2.61Å; T1491-H1493 PolarHBondContact O-ND1 3.17Å; T1491-H1493 PolarHBondContact OG1-O 2.84Å
1492R89.9Confident88.7Confident41 Ų4158.2 Ų58.216%0.15530%0.298CS..  trans56.56-176.2-61.3-61.2-52.6-88.12.9116.7E1401 L1403 L1435 I1449 N1487 T1489E1401-R1492 PolarHBondContact O-NH1 3.49Å; E1401-R1492 PolarHBondContact O-NH2 3.13Å; E1401-R1492 IonicContact OE2-CZ 3.37Å; E1401-R1492 IonicContact OE2-NH2 3.21Å; E1401-R1492 PolarHBondContact OE2-NH2 2.84Å; L1403-R1492 HydrophobicContact CD1-CB 4.33Å; L1403-R1492 HydrophobicContact CD2-CG 4.49Å; L1435-R1492 HydrophobicContact CD1-CB 3.95Å; I1449-R1492 HydrophobicContact CD1-CB 4Å; I1449-R1492 HydrophobicContact CD1-CG 3.57Å; N1487-R1492 PolarHBondContact N-O 2.84Å; N1487-R1492 CarbonylContact O-C 3.5Å; N1487-R1492 WeakPolarHBondContact O-CA 3.39Å; N1487-R1492 WeakPolarHBondContact O-CD 3.23Å; N1487-R1492 PolarHBondContact O-NE 3.04Å; T1489-R1492 WeakPolarHBondContact O-CA 3.2Å; T1489-R1492 WeakPolarHBondContact O-CD 3.42Å; T1489-R1492 PolarHBondContact O-N 3.49Å; T1489-R1492 PolarHBondContact OG1-N 3.33Å
1493H91.5Very high88.4Confident31 Ų3158.5 Ų58.514%0.14430%0.302CS..EExtended strand (participates in β ladder)trans-146.5157.3-17970-80.8000114.1L1435 F1473 F1484 E1485 N1487 T1491L1435-H1493 HydrophobicContact CD1-CB 4.07Å; F1473-H1493 HydrophobicContact CE1-CB 3.72Å; F1473-H1493 HydrophobicContact CZ-CB 3.9Å; F1484-H1493 AromaticContact CD1-CD2 3.84Å; E1485-H1493 CarbonylContact O-C 3.57Å; E1485-H1493 VanDerWaalsContact O-CA 3.25Å; E1485-H1493 WeakPolarHBondContact O-CA 3.36Å; N1487-H1493 PolarHBondContact ND2-O 2.9Å; N1487-H1493 PolarHBondContact OD1-N 3.3Å; T1491-H1493 PolarHBondContact O-N 2.61Å; T1491-H1493 PolarHBondContact O-ND1 3.17Å; T1491-H1493 PolarHBondContact OG1-O 2.84Å
1494R91.1Very high88.2Confident136 Ų13660.6 Ų60.651%0.51331%0.311SS..EExtended strand (participates in β ladder)trans-135.4124.1168.6173.5167.365.6153.90.3109.5F1484 E1485 N1487 L1496F1484-R1494 CarbonylContact C-O 3.59Å; F1484-R1494 VanDerWaalsContact CA-O 3.31Å; F1484-R1494 WeakPolarHBondContact CA-O 3.32Å; E1485-R1494 HydrophobicContact CB-CB 4.48Å; E1485-R1494 PolarHBondContact N-O 2.72Å; E1485-R1494 PolarHBondContact O-N 3.31Å; E1485-R1494 IonicContact OE1-CZ 2.96Å; E1485-R1494 IonicContact OE1-NE 3.79Å; E1485-R1494 IonicContact OE1-NH2 2.85Å; E1485-R1494 PolarHBondContact OE1-NH2 3.3Å; E1485-R1494 IonicContact OE2-CZ 3.35Å; E1485-R1494 IonicContact OE2-NE 3.2Å; E1485-R1494 PolarHBondContact OE2-NE 3.34Å; E1485-R1494 IonicContact OE2-NH2 3.85Å; E1485-R1494 PolarHBondContact OE2-NH2 3.07Å; N1487-R1494 WeakPolarHBondContact ND2-CB 3.22Å; N1487-R1494 PolarHBondContact ND2-N 2.8Å; R1494-L1496 HydrophobicContact CG-CD2 4.23Å
1495K91.7Very high88.2Confident77 Ų7760.6 Ų60.634%0.33531%0.311SS..EExtended strand (participates in β ladder)trans-68.7134.1169.7174.8168.6170.6157.80109.3T1482 F1484 D1498T1482-K1495 HydrophobicContact CG2-CD 3.63Å; T1482-K1495 HydrophobicContact CG2-CG 3.8Å; F1484-K1495 HydrophobicContact CD1-CB 3.84Å; F1484-K1495 HydrophobicContact CE1-CB 3.84Å; F1484-K1495 HydrophobicContact CE1-CG 4.38Å; K1495-D1498 VanDerWaalsContact CE-OD1 3.27Å; K1495-D1498 WeakPolarHBondContact CE-OD1 3.47Å; K1495-D1498 WeakPolarHBondContact CE-OD2 3.31Å; K1495-D1498 IonicContact NZ-OD1 3.89Å; K1495-D1498 PolarHBondContact NZ-OD1 3.18Å; K1495-D1498 IonicContact NZ-OD2 3.63Å; K1495-D1498 PolarHBondContact NZ-OD2 3.47Å
1496L87.8Confident88.1Confident67 Ų6761.3 Ų61.335%0.35131%0.314SS..EExtended strand (participates in β ladder)trans-105.9-56.6179.9-61.5-176.7000112.9Y1472 V1483 E1485 R1494Y1472-L1496 HydrophobicContact CD1-CD1 3.93Å; Y1472-L1496 HydrophobicContact CE1-CD1 3.69Å; V1483-L1496 HydrophobicContact CG1-CD1 4.31Å; V1483-L1496 PolarHBondContact O-N 3.44Å; E1485-L1496 HydrophobicContact CB-CD1 4.08Å; E1485-L1496 HydrophobicContact CB-CD2 4.17Å; E1485-L1496 HydrophobicContact CB-CG 4.13Å; R1494-L1496 HydrophobicContact CG-CD2 4.23Å
1497R88.9Confident88.1Confident66 Ų6661.6 Ų61.625%0.24932%0.317CS..EExtended strand (participates in β ladder)trans-158.5156.6-172.553.3-174.2155.3-156-22.2111.1V1483 L1499 F1528 N1531V1483-R1497 HydrophobicContact CB-CG 4.15Å; V1483-R1497 HydrophobicContact CG2-CG 4.3Å; V1483-R1497 PolarHBondContact N-O 2.92Å; R1497-L1499 HydrophobicContact CG-CD2 4.35Å; R1497-F1528 PolarHBondContact NH1-O 2.94Å; R1497-F1528 VanDerWaalsContact NH2-CA 3.31Å; R1497-F1528 VanDerWaalsContact NH2-CB 3.3Å; R1497-F1528 PolarHBondContact NH2-O 3.46Å; R1497-N1531 PolarHBondContact NH1-OD1 3.09Å
1498D89.8Confident88.3Confident84 Ų8460.8 Ų60.845%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-105.2131.1166.2-61.1-48.5000109I1481 T1482 K1495I1481-D1498 CarbonylContact O-C 3.57Å; I1481-D1498 WeakPolarHBondContact O-CA 3.32Å; T1482-D1498 WeakPolarHBondContact CA-OD1 3.47Å; T1482-D1498 VanDerWaalsContact CB-OD1 3.31Å; T1482-D1498 WeakPolarHBondContact CB-OD1 3.32Å; T1482-D1498 WeakPolarHBondContact CG2-OD1 3.26Å; T1482-D1498 PolarHBondContact OG1-OD1 2.99Å; K1495-D1498 VanDerWaalsContact CE-OD1 3.27Å; K1495-D1498 WeakPolarHBondContact CE-OD1 3.47Å; K1495-D1498 WeakPolarHBondContact CE-OD2 3.31Å; K1495-D1498 IonicContact NZ-OD1 3.89Å; K1495-D1498 PolarHBondContact NZ-OD1 3.18Å; K1495-D1498 IonicContact NZ-OD2 3.63Å; K1495-D1498 PolarHBondContact NZ-OD2 3.47Å
1499L89.9Confident88.6Confident14 Ų1452 Ų527%0.07328%0.284CS..EExtended strand (participates in β ladder)trans-101.2125.1177.1-56.4176.7000109.3T1480 I1481 V1483 R1497 L1515 W1526 F1528T1480-L1499 CarbonylContact C-O 3.57Å; T1480-L1499 VanDerWaalsContact CA-O 3.28Å; T1480-L1499 WeakPolarHBondContact CA-O 3.31Å; I1481-L1499 HydrophobicContact CB-CB 4.4Å; I1481-L1499 PolarHBondContact N-O 2.7Å; I1481-L1499 PolarHBondContact O-N 3.11Å; V1483-L1499 HydrophobicContact CG2-CD1 3.84Å; V1483-L1499 HydrophobicContact CG2-CG 4.13Å; R1497-L1499 HydrophobicContact CG-CD2 4.35Å; L1499-L1515 HydrophobicContact CD1-CD2 3.68Å; L1499-W1526 HydrophobicContact CD1-CB 4.46Å; L1499-W1526 HydrophobicContact CD1-CD2 4.29Å; L1499-W1526 HydrophobicContact CD1-CG 4.19Å; L1499-F1528 HydrophobicContact CD1-CE1 4.39Å
1500A88.7Confident88.7Confident80 Ų8050.9 Ų50.966%0.66128%0.275SS*.EExtended strand (participates in β ladder)trans-83.5132.2177.700000111.3
1501M87.5Confident88.9Confident14 Ų1445.7 Ų45.77%0.06924%0.241CC..  trans-108.3136.6-171.4-65.3-68.2-46.900112.2K1479 I1481 G1503 P1505 V1517 Y1519 W1526K1479-M1501 WeakPolarHBondContact O-CB 3.48Å; K1479-M1501 PolarHBondContact O-N 2.66Å; I1481-M1501 HydrophobicContact CD1-CG 4.1Å; I1481-M1501 HydrophobicContact CD1-SD 3.64Å; I1481-M1501 HydrophobicContact CG1-CG 4.24Å; I1481-M1501 HydrophobicContact CG1-SD 4.38Å; M1501-G1503 VanDerWaalsContact C-N 3.33Å; M1501-G1503 VanDerWaalsContact CB-O 3.26Å; M1501-G1503 WeakPolarHBondContact CB-O 3.41Å; M1501-G1503 PolarHBondContact O-N 3.44Å; M1501-P1505 HydrophobicContact CB-CG 4.23Å; M1501-P1505 HydrophobicContact CE-CG 4.36Å; M1501-P1505 HydrophobicContact CG-CG 3.76Å; M1501-V1517 HydrophobicContact CE-CB 3.79Å; M1501-V1517 HydrophobicContact CE-CG1 3.24Å; M1501-V1517 HydrophobicContact CE-CG2 4.41Å; M1501-V1517 HydrophobicContact SD-CB 4.36Å; M1501-V1517 HydrophobicContact SD-CG1 3.98Å; M1501-V1517 HydrophobicContact SD-CG2 4.33Å; M1501-Y1519 HydrophobicContact CE-CD1 4.11Å; M1501-W1526 HydrophobicContact CE-CH2 4Å; M1501-W1526 HydrophobicContact CE-CZ3 3.91Å; M1501-W1526 HydrophobicContact SD-CH2 3.31Å; M1501-W1526 WeakPolarHBondContact SD-CH2 3.18Å; M1501-W1526 HydrophobicContact SD-CZ2 4.42Å; M1501-W1526 HydrophobicContact SD-CZ3 3.42Å; M1501-W1526 WeakPolarHBondContact SD-CZ3 3.44Å
1502P81.9Confident88.7Confident67 Ų6746.9 Ų46.944%0.43524%0.238SC..SBendtrans-63.8-37.3175.925.6-35.7000112.6Y1519P1502-Y1519 HydrophobicContact CG-CD1 4.28Å; P1502-Y1519 HydrophobicContact CG-CD2 4.01Å; P1502-Y1519 HydrophobicContact CG-CE1 4.16Å; P1502-Y1519 HydrophobicContact CG-CE2 3.85Å; P1502-Y1519 HydrophobicContact CG-CG 4.22Å
1503G85.7Confident88.2Confident12 Ų1245.5 Ų45.512%0.12424%0.236CC..SBendtrans-117.8-17417500000112.8M1501M1501-G1503 VanDerWaalsContact C-N 3.33Å; M1501-G1503 VanDerWaalsContact CB-O 3.26Å; M1501-G1503 WeakPolarHBondContact CB-O 3.41Å; M1501-G1503 PolarHBondContact O-N 3.44Å
1504F88.8Confident88Confident44 Ų4446.8 Ų46.819%0.19324%0.241CC..  trans-73.8128.6166-176.7-101.6000108.8Y1425 H1426 H1458 K1478 Q1506 P1520Y1425-F1504 HydrophobicContact CE1-CD1 4.27Å; Y1425-F1504 HydrophobicContact CE1-CE1 4.26Å; H1426-F1504 AromaticContact CE1-CD2 3.89Å; H1426-F1504 AromaticContact CE1-CE2 3.56Å; H1426-F1504 AromaticContact CE1-CZ 3.86Å; H1458-F1504 HydrophobicContact CB-CZ 4.43Å; H1458-F1504 AromaticContact CD2-CE1 3.75Å; H1458-F1504 AromaticContact CD2-CZ 3.46Å; H1458-F1504 VanDerWaalsContact CD2-CZ 3.46Å; H1458-F1504 WeakPolarHBondContact CD2-CZ 3.17Å; H1458-F1504 AromaticContact CE1-CE2 3.34Å; H1458-F1504 WeakPolarHBondContact CE1-CE2 3.48Å; H1458-F1504 AromaticContact CE1-CZ 3.32Å; H1458-F1504 WeakPolarHBondContact CE1-CZ 3.34Å; H1458-F1504 AromaticContact CG-CZ 3.62Å; H1458-F1504 AromaticContact ND1-CE2 3.69Å; H1458-F1504 AromaticContact ND1-CZ 3.57Å; H1458-F1504 AromaticContact NE2-CE1 3.51Å; H1458-F1504 AromaticContact NE2-CE2 3.72Å; H1458-F1504 AromaticContact NE2-CZ 3.26Å; H1458-F1504 VanDerWaalsContact NE2-CZ 3.26Å; H1458-F1504 WeakPolarHBondContact NE2-CZ 3.45Å; K1478-F1504 WeakPolarHBondContact O-CD2 3.49Å; F1504-Q1506 HydrophobicContact CD1-CG 4.43Å; F1504-Q1506 PolarHBondContact O-N 3.26Å; F1504-P1520 WeakPolarHBondContact O-CD 3.13Å
1505P91.5Very high88Confident1 Ų140.3 Ų40.31%0.00622%0.217CC..  trans-65.8126.3177.3-24.737.2000111.4H1458 A1476 K1478 I1481 M1501 V1517 G1518H1458-P1505 PolarHBondContact NE2-O 3.34Å; A1476-P1505 HydrophobicContact CB-CB 3.86Å; A1476-P1505 HydrophobicContact CB-CG 4.08Å; K1478-P1505 WeakPolarHBondContact O-CD 3.32Å; I1481-P1505 HydrophobicContact CD1-CB 4.43Å; I1481-P1505 HydrophobicContact CD1-CG 4.23Å; I1481-P1505 HydrophobicContact CG1-CG 4.14Å; M1501-P1505 HydrophobicContact CB-CG 4.23Å; M1501-P1505 HydrophobicContact CE-CG 4.36Å; M1501-P1505 HydrophobicContact CG-CG 3.76Å; P1505-V1517 HydrophobicContact CB-CG1 3.95Å; P1505-V1517 HydrophobicContact CG-CG1 4.48Å; P1505-G1518 WeakPolarHBondContact CA-O 3.44Å
1506Q90.2Very high88.1Confident45 Ų4536.7 Ų36.721%0.2120%0.201CC..  trans-107.6-31.4-178.2-74.2163.6-27.500112.2F1504 G1518 P1520 D1553F1504-Q1506 HydrophobicContact CD1-CG 4.43Å; F1504-Q1506 PolarHBondContact O-N 3.26Å; Q1506-G1518 PolarHBondContact N-O 2.85Å; Q1506-P1520 VanDerWaalsContact OE1-N 3.09Å; Q1506-D1553 PolarHBondContact NE2-OD1 3.16Å; Q1506-D1553 PolarHBondContact NE2-OD2 3.34Å
1507S90.6Very high88.3Confident16 Ų1633.5 Ų33.511%0.11218%0.184CC..EExtended strand (participates in β ladder)trans-140.7151.1175.453.50000111.7V1517 G1518 A1554 C1555S1507-V1517 WeakPolarHBondContact O-CA 3.46Å; S1507-G1518 PolarHBondContact O-N 3.2Å; S1507-G1518 WeakPolarHBondContact OG-CA 3.44Å; S1507-G1518 PolarHBondContact OG-N 3Å; S1507-A1554 VanDerWaalsContact CB-O 3.29Å; S1507-A1554 WeakPolarHBondContact CB-O 3.4Å; S1507-A1554 PolarHBondContact OG-O 3.47Å; S1507-C1555 WeakPolarHBondContact CB-O 3.49Å
1508L92.4Very high88.5Confident9 Ų930.3 Ų30.35%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-138.6127.9179.9-63.8176000110A1459 C1461 A1476 I1481 L1515 V1517 R1636A1459-L1508 HydrophobicContact CB-CD1 3.8Å; A1459-L1508 HydrophobicContact CB-CG 4.28Å; C1461-L1508 HydrophobicContact CB-CB 3.89Å; A1476-L1508 HydrophobicContact CB-CD1 3.94Å; I1481-L1508 HydrophobicContact CD1-CD2 3.49Å; I1481-L1508 VanDerWaalsContact CD1-CD2 3.49Å; I1481-L1508 HydrophobicContact CG1-CD2 4.24Å; L1508-L1515 HydrophobicContact CD2-CD1 4.46Å; L1508-V1517 HydrophobicContact CD2-CB 4.37Å; L1508-V1517 HydrophobicContact CD2-CG1 3.88Å; L1508-V1517 HydrophobicContact CD2-CG2 3.97Å; L1508-R1636 PolarHBondContact O-NH1 3.47Å
1509S90.8Very high88.6Confident29 Ų2927.9 Ų27.920%0.20316%0.157CC..EExtended strand (participates in β ladder)trans-146.5156170.858.70000111.7C1516S1509-C1516 PolarHBondContact N-O 2.96Å; S1509-C1516 VanDerWaalsContact N-O 3.14Å; S1509-C1516 PolarHBondContact O-N 3.12Å
1510M88Confident88.6Confident35 Ų3529.7 Ų29.717%0.17217%0.17CC..EExtended strand (participates in β ladder)trans-100.8122.6169.2-161.36151.200108.1K1514 L1515 F1528M1510-K1514 VanDerWaalsContact SD-O 3.35Å; M1510-L1515 HydrophobicContact CE-CB 4.11Å; M1510-L1515 HydrophobicContact CE-CD1 4.09Å; M1510-L1515 HydrophobicContact SD-CB 4.48Å; M1510-F1528 HydrophobicContact CE-CE2 3.71Å; M1510-F1528 HydrophobicContact CE-CZ 4.05Å; M1510-F1528 HydrophobicContact SD-CE2 4.08Å
1511V84.6Confident88.5Confident22 Ų2226.8 Ų26.813%0.13315%0.145CC..EExtended strand (participates in β ladder)trans-134.9122.1-175.5178.50000108.3G1513 K1514 M1525 L1557 E1559 Y1565V1511-G1513 PolarHBondContact O-N 3.39Å; V1511-G1513 VanDerWaalsContact O-N 3.14Å; V1511-K1514 PolarHBondContact N-O 2.88Å; V1511-K1514 WeakPolarHBondContact O-CA 3.28Å; V1511-K1514 WeakPolarHBondContact O-CB 3.22Å; V1511-K1514 PolarHBondContact O-N 2.93Å; V1511-M1525 HydrophobicContact CB-CE 3.93Å; V1511-M1525 HydrophobicContact CG1-CE 4.18Å; V1511-L1557 HydrophobicContact CG1-CD2 4.19Å; V1511-L1557 HydrophobicContact CG2-CD2 3.98Å; V1511-E1559 WeakPolarHBondContact CG1-OE2 3.36Å; V1511-Y1565 HydrophobicContact CG1-CE1 4.37Å
1512R80.4Confident88.6Confident95 Ų9526.2 Ų26.236%0.35814%0.142SC..THydrogen-bonded Turntrans50.534.1-172.6-58.9-177.6173.7-131.5-19113.7L1466 K1514 E1559 D1562L1466-R1512 WeakPolarHBondContact CD1-O 3.31Å; L1466-R1512 WeakPolarHBondContact CG-O 3.39Å; R1512-K1514 PolarHBondContact O-N 3.38Å; R1512-E1559 WeakPolarHBondContact CD-OE2 3.37Å; R1512-E1559 WeakPolarHBondContact CG-OE2 3.14Å; R1512-E1559 IonicContact CZ-OE1 2.7Å; R1512-E1559 VanDerWaalsContact CZ-OE1 3.29Å; R1512-E1559 IonicContact CZ-OE2 2.63Å; R1512-E1559 IonicContact NE-OE1 3.1Å; R1512-E1559 PolarHBondContact NE-OE1 3.17Å; R1512-E1559 VanDerWaalsContact NE-OE1 3.09Å; R1512-E1559 IonicContact NE-OE2 3.76Å; R1512-E1559 PolarHBondContact NE-OE2 3.13Å; R1512-E1559 IonicContact NH2-OE1 2.76Å; R1512-E1559 PolarHBondContact NH2-OE1 3.37Å; R1512-E1559 IonicContact NH2-OE2 3.94Å; R1512-D1562 IonicContact CZ-OD1 2.68Å; R1512-D1562 VanDerWaalsContact CZ-OD1 3.29Å; R1512-D1562 IonicContact NH1-OD1 3.9Å; R1512-D1562 PolarHBondContact NH1-OD1 3.03Å; R1512-D1562 IonicContact NH2-OD1 2.74Å; R1512-D1562 PolarHBondContact NH2-OD1 3.38Å
1513G80.5Confident89.1Confident11 Ų1123 Ų2311%0.11312%0.121CC..THydrogen-bonded Turntrans72.110-175.900000115.4S1464 V1511S1464-G1513 WeakPolarHBondContact O-CA 3.3Å; V1511-G1513 PolarHBondContact O-N 3.39Å; V1511-G1513 VanDerWaalsContact O-N 3.14Å
1514K88Confident89.4Confident58 Ų5825.1 Ų25.125%0.25213%0.126SC..EExtended strand (participates in β ladder)trans-108.8143.5176-51.5-169.6-168.7-136.10109.6M1510 V1511 R1512 C1516 M1525 W1526 D1527M1510-K1514 VanDerWaalsContact SD-O 3.35Å; V1511-K1514 PolarHBondContact N-O 2.88Å; V1511-K1514 WeakPolarHBondContact O-CA 3.28Å; V1511-K1514 WeakPolarHBondContact O-CB 3.22Å; V1511-K1514 PolarHBondContact O-N 2.93Å; R1512-K1514 PolarHBondContact O-N 3.38Å; K1514-C1516 PolarHBondContact O-N 3.09Å; K1514-M1525 HydrophobicContact CB-CG 3.77Å; K1514-M1525 HydrophobicContact CB-SD 3.65Å; K1514-M1525 HydrophobicContact CD-CG 4.26Å; K1514-W1526 CarbonylContact C-O 3.59Å; K1514-W1526 WeakPolarHBondContact CA-O 3.4Å; K1514-W1526 WeakPolarHBondContact CB-O 3.35Å; K1514-D1527 HydrophobicContact CD-CB 3.99Å; K1514-D1527 WeakPolarHBondContact CE-OD2 3.05Å; K1514-D1527 HydrophobicContact CG-CB 4.24Å; K1514-D1527 IonicContact NZ-OD2 3.83Å; K1514-D1527 PolarHBondContact NZ-OD2 2.84Å
1515L90.7Very high89.4Confident0 Ų023.1 Ų23.10%012%0.117CC..EExtended strand (participates in β ladder)trans-81.9112179.1173.966.2000110.1C1474 I1481 L1499 L1508 M1510 V1517 M1525 W1526 F1528C1474-L1515 HydrophobicContact CB-CD1 3.9Å; C1474-L1515 HydrophobicContact CB-CD2 4.22Å; I1481-L1515 HydrophobicContact CD1-CD2 4.47Å; I1481-L1515 HydrophobicContact CG2-CD2 4.12Å; L1499-L1515 HydrophobicContact CD1-CD2 3.68Å; L1508-L1515 HydrophobicContact CD2-CD1 4.46Å; M1510-L1515 HydrophobicContact CE-CB 4.11Å; M1510-L1515 HydrophobicContact CE-CD1 4.09Å; M1510-L1515 HydrophobicContact SD-CB 4.48Å; L1515-V1517 HydrophobicContact CD1-CG2 4.39Å; L1515-V1517 HydrophobicContact CD2-CG2 4.07Å; L1515-V1517 HydrophobicContact CG-CG2 3.85Å; L1515-M1525 CarbonylContact O-C 3.51Å; L1515-M1525 WeakPolarHBondContact O-CA 3.33Å; L1515-W1526 HydrophobicContact CB-CB 4.43Å; L1515-W1526 PolarHBondContact N-O 3.47Å; L1515-W1526 PolarHBondContact O-N 2.94Å; L1515-F1528 HydrophobicContact CB-CE1 3.76Å; L1515-F1528 HydrophobicContact CB-CE2 4.45Å; L1515-F1528 HydrophobicContact CB-CZ 3.59Å; L1515-F1528 HydrophobicContact CD2-CE1 4.14Å; L1515-F1528 HydrophobicContact CD2-CZ 4.08Å; L1515-F1528 HydrophobicContact CG-CZ 4.38Å
1516C92.4Very high89.3Confident1 Ų123.8 Ų23.81%0.00712%0.119CC..EExtended strand (participates in β ladder)trans-86.6137.4167.8-164.90000110.5S1509 K1514 M1525 L1557S1509-C1516 PolarHBondContact N-O 2.96Å; S1509-C1516 VanDerWaalsContact N-O 3.14Å; S1509-C1516 PolarHBondContact O-N 3.12Å; K1514-C1516 PolarHBondContact O-N 3.09Å; C1516-M1525 HydrophobicContact CB-CE 3.75Å; C1516-M1525 HydrophobicContact CB-SD 3.63Å; C1516-M1525 PolarHBondContact N-SD 2.99Å; C1516-L1557 VanDerWaalsContact SG-CD1 3.57Å
1517V93.1Very high89Confident0 Ų022.4 Ų22.40%011%0.113CC..EExtended strand (participates in β ladder)trans-134.7122.9176.1-167.90000110.6I1481 M1501 P1505 S1507 L1508 L1515 F1523 R1524 W1526I1481-V1517 HydrophobicContact CD1-CB 4.23Å; I1481-V1517 HydrophobicContact CD1-CG1 3.7Å; I1481-V1517 HydrophobicContact CD1-CG2 3.47Å; I1481-V1517 VanDerWaalsContact CD1-CG2 3.47Å; M1501-V1517 HydrophobicContact CE-CB 3.79Å; M1501-V1517 HydrophobicContact CE-CG1 3.24Å; M1501-V1517 HydrophobicContact CE-CG2 4.41Å; M1501-V1517 HydrophobicContact SD-CB 4.36Å; M1501-V1517 HydrophobicContact SD-CG1 3.98Å; M1501-V1517 HydrophobicContact SD-CG2 4.33Å; P1505-V1517 HydrophobicContact CB-CG1 3.95Å; P1505-V1517 HydrophobicContact CG-CG1 4.48Å; S1507-V1517 WeakPolarHBondContact O-CA 3.46Å; L1508-V1517 HydrophobicContact CD2-CB 4.37Å; L1508-V1517 HydrophobicContact CD2-CG1 3.88Å; L1508-V1517 HydrophobicContact CD2-CG2 3.97Å; L1515-V1517 HydrophobicContact CD1-CG2 4.39Å; L1515-V1517 HydrophobicContact CD2-CG2 4.07Å; L1515-V1517 HydrophobicContact CG-CG2 3.85Å; V1517-F1523 WeakPolarHBondContact O-CA 3.49Å; V1517-R1524 PolarHBondContact N-O 2.84Å; V1517-R1524 PolarHBondContact O-N 3.4Å; V1517-W1526 HydrophobicContact CB-CZ3 4.2Å; V1517-W1526 HydrophobicContact CG2-CE3 3.96Å; V1517-W1526 HydrophobicContact CG2-CZ3 3.88Å
1518G92.7Very high88.4Confident0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-85.1142.4165.600000111.8P1505 Q1506 S1507P1505-G1518 WeakPolarHBondContact CA-O 3.44Å; Q1506-G1518 PolarHBondContact N-O 2.85Å; S1507-G1518 PolarHBondContact O-N 3.2Å; S1507-G1518 WeakPolarHBondContact OG-CA 3.44Å; S1507-G1518 PolarHBondContact OG-N 3Å
1519Y91.2Very high87.6Confident32 Ų3227.7 Ų27.713%0.12514%0.144CC..EExtended strand (participates in β ladder)trans-146.2168.7172.858.7-87000108.5M1501 P1502 S1521 G1522 R1524 A1554M1501-Y1519 HydrophobicContact CE-CD1 4.11Å; P1502-Y1519 HydrophobicContact CG-CD1 4.28Å; P1502-Y1519 HydrophobicContact CG-CD2 4.01Å; P1502-Y1519 HydrophobicContact CG-CE1 4.16Å; P1502-Y1519 HydrophobicContact CG-CE2 3.85Å; P1502-Y1519 HydrophobicContact CG-CG 4.22Å; Y1519-S1521 PolarHBondContact O-N 3.48Å; Y1519-S1521 VanDerWaalsContact O-N 3.14Å; Y1519-G1522 WeakPolarHBondContact CD1-O 3.33Å; Y1519-G1522 WeakPolarHBondContact CE1-O 3.42Å; Y1519-G1522 PolarHBondContact N-O 2.92Å; Y1519-G1522 PolarHBondContact O-N 3.22Å; Y1519-R1524 HydrophobicContact CE1-CB 3.77Å; Y1519-A1554 VanDerWaalsContact O-CB 3.32Å; Y1519-A1554 WeakPolarHBondContact O-CB 3.32Å
1520P89.9Confident86.9Confident52 Ų5231.3 Ų31.334%0.33816%0.161SC..THydrogen-bonded Turntrans-50.6123.9-175.6-29.833000113F1504 Q1506 G1522F1504-P1520 WeakPolarHBondContact O-CD 3.13Å; Q1506-P1520 VanDerWaalsContact OE1-N 3.09Å; P1520-G1522 VanDerWaalsContact C-N 3.26Å; P1520-G1522 PolarHBondContact O-N 3.17Å
1521S87.3Confident86.3Confident20 Ų2034.2 Ų34.214%0.1418%0.177CC..THydrogen-bonded Turntrans58.915.6-175.8-76.90000117.4Y1519 L1537 M1547 A1551 Y1552Y1519-S1521 PolarHBondContact O-N 3.48Å; Y1519-S1521 VanDerWaalsContact O-N 3.14Å; S1521-L1537 VanDerWaalsContact O-CD2 3.3Å; S1521-L1537 WeakPolarHBondContact O-CD2 3.47Å; S1521-M1547 WeakPolarHBondContact CB-O 3.48Å; S1521-M1547 PolarHBondContact OG-O 3.42Å; S1521-A1551 VanDerWaalsContact OG-CA 3.31Å; S1521-A1551 WeakPolarHBondContact OG-CA 3.43Å; S1521-A1551 PolarHBondContact OG-N 3.23Å; S1521-Y1552 PolarHBondContact N-O 3.39Å; S1521-Y1552 PolarHBondContact OG-N 3.1Å
1522G89.8Confident86.3Confident1 Ų135.2 Ų35.21%0.0119%0.185CC..EExtended strand (participates in β ladder)trans-160.8157.5178.400000117.1Y1519 P1520Y1519-G1522 WeakPolarHBondContact CD1-O 3.33Å; Y1519-G1522 WeakPolarHBondContact CE1-O 3.42Å; Y1519-G1522 PolarHBondContact N-O 2.92Å; Y1519-G1522 PolarHBondContact O-N 3.22Å; P1520-G1522 VanDerWaalsContact C-N 3.26Å; P1520-G1522 PolarHBondContact O-N 3.17Å
1523F92.6Very high86.5Confident1 Ų135.7 Ų35.70%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-115.7144.5166-73.6-94.7000109.7V1517 L1536 A1554 I1556 L1557 L1567 V1568 F1569V1517-F1523 WeakPolarHBondContact O-CA 3.49Å; F1523-L1536 HydrophobicContact CB-CB 4.23Å; F1523-L1536 HydrophobicContact CB-CD1 4.25Å; F1523-L1536 PolarHBondContact O-N 2.87Å; F1523-A1554 HydrophobicContact CD2-CB 4.19Å; F1523-A1554 HydrophobicContact CE1-CB 4.17Å; F1523-A1554 HydrophobicContact CE2-CB 3.7Å; F1523-A1554 HydrophobicContact CZ-CB 3.7Å; F1523-I1556 WeakPolarHBondContact CZ-O 3.26Å; F1523-L1557 HydrophobicContact CD1-CB 4.18Å; F1523-L1557 HydrophobicContact CE1-CB 4.13Å; F1523-L1567 HydrophobicContact CB-CD1 4.43Å; F1523-L1567 HydrophobicContact CB-CD2 4.07Å; F1523-L1567 HydrophobicContact CD2-CB 3.85Å; F1523-L1567 HydrophobicContact CD2-CD1 4.06Å; F1523-L1567 HydrophobicContact CD2-CD2 3.87Å; F1523-L1567 HydrophobicContact CD2-CG 4.14Å; F1523-L1567 HydrophobicContact CE2-CB 3.92Å; F1523-L1567 HydrophobicContact CE2-CD2 4.47Å; F1523-L1567 HydrophobicContact CG-CD2 3.99Å; F1523-V1568 WeakPolarHBondContact CZ-O 3.31Å; F1523-F1569 AromaticContact CD2-CE1 3.79Å; F1523-F1569 HydrophobicContact CD2-CE1 3.79Å; F1523-F1569 HydrophobicContact CD2-CE2 4.39Å; F1523-F1569 AromaticContact CD2-CZ 3.64Å; F1523-F1569 HydrophobicContact CD2-CZ 3.64Å; F1523-F1569 HydrophobicContact CE2-CD1 4.1Å; F1523-F1569 AromaticContact CE2-CE1 3.66Å; F1523-F1569 HydrophobicContact CE2-CE1 3.66Å; F1523-F1569 HydrophobicContact CE2-CE2 4.2Å; F1523-F1569 AromaticContact CE2-CZ 3.73Å; F1523-F1569 HydrophobicContact CE2-CZ 3.73Å
1524R91.1Very high86.8Confident56 Ų5637.9 Ų37.921%0.21120%0.198CC..EExtended strand (participates in β ladder)trans-135.1138.4172.8-176.6174.5-62.6-178.67.7109.6V1517 Y1519 W1526 Q1533 H1534V1517-R1524 PolarHBondContact N-O 2.84Å; V1517-R1524 PolarHBondContact O-N 3.4Å; Y1519-R1524 HydrophobicContact CE1-CB 3.77Å; R1524-W1526 HydrophobicContact CB-CE3 4.45Å; R1524-W1526 HydrophobicContact CB-CZ3 4.02Å; R1524-W1526 VanDerWaalsContact CD-CH2 3.46Å; R1524-W1526 HydrophobicContact CG-CD2 4.45Å; R1524-W1526 HydrophobicContact CG-CE3 4.02Å; R1524-W1526 HydrophobicContact CG-CH2 4.12Å; R1524-W1526 HydrophobicContact CG-CZ3 3.83Å; R1524-Q1533 HydrophobicContact CG-CB 4.38Å; R1524-H1534 WeakPolarHBondContact CA-O 3.22Å; R1524-H1534 WeakPolarHBondContact CG-O 3.44Å
1525M90.2Very high86.8Confident2 Ų237.4 Ų37.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-113.7126-179-174.277.479.100108.9V1511 K1514 L1515 C1516 Q1533 H1534 L1536 L1557V1511-M1525 HydrophobicContact CB-CE 3.93Å; V1511-M1525 HydrophobicContact CG1-CE 4.18Å; K1514-M1525 HydrophobicContact CB-CG 3.77Å; K1514-M1525 HydrophobicContact CB-SD 3.65Å; K1514-M1525 HydrophobicContact CD-CG 4.26Å; L1515-M1525 CarbonylContact O-C 3.51Å; L1515-M1525 WeakPolarHBondContact O-CA 3.33Å; C1516-M1525 HydrophobicContact CB-CE 3.75Å; C1516-M1525 HydrophobicContact CB-SD 3.63Å; C1516-M1525 PolarHBondContact N-SD 2.99Å; M1525-Q1533 WeakPolarHBondContact O-CA 3.46Å; M1525-H1534 VanDerWaalsContact CB-CE1 3.45Å; M1525-H1534 WeakPolarHBondContact CB-CE1 3.41Å; M1525-H1534 WeakPolarHBondContact CB-NE2 3.37Å; M1525-H1534 WeakPolarHBondContact CG-CE1 3.38Å; M1525-H1534 PolarHBondContact N-O 2.92Å; M1525-H1534 PolarHBondContact O-N 2.93Å; M1525-H1534 PolarHBondContact O-ND1 2.83Å; M1525-L1536 HydrophobicContact CB-CD1 4.04Å; M1525-L1536 HydrophobicContact CB-CG 4.37Å; M1525-L1536 HydrophobicContact CE-CD1 4.19Å; M1525-L1557 HydrophobicContact CE-CD1 4.24Å; M1525-L1557 HydrophobicContact CE-CD2 4.43Å
1526W88.5Confident86.8Confident14 Ų1437.4 Ų37.45%0.05321%0.206CC..EExtended strand (participates in β ladder)trans-107.1125.3176-88.9-85.2000110.6L1499 M1501 K1514 L1515 V1517 R1524 S1532 Q1533L1499-W1526 HydrophobicContact CD1-CB 4.46Å; L1499-W1526 HydrophobicContact CD1-CD2 4.29Å; L1499-W1526 HydrophobicContact CD1-CG 4.19Å; M1501-W1526 HydrophobicContact CE-CH2 4Å; M1501-W1526 HydrophobicContact CE-CZ3 3.91Å; M1501-W1526 HydrophobicContact SD-CH2 3.31Å; M1501-W1526 WeakPolarHBondContact SD-CH2 3.18Å; M1501-W1526 HydrophobicContact SD-CZ2 4.42Å; M1501-W1526 HydrophobicContact SD-CZ3 3.42Å; M1501-W1526 WeakPolarHBondContact SD-CZ3 3.44Å; K1514-W1526 CarbonylContact C-O 3.59Å; K1514-W1526 WeakPolarHBondContact CA-O 3.4Å; K1514-W1526 WeakPolarHBondContact CB-O 3.35Å; L1515-W1526 HydrophobicContact CB-CB 4.43Å; L1515-W1526 PolarHBondContact N-O 3.47Å; L1515-W1526 PolarHBondContact O-N 2.94Å; V1517-W1526 HydrophobicContact CB-CZ3 4.2Å; V1517-W1526 HydrophobicContact CG2-CE3 3.96Å; V1517-W1526 HydrophobicContact CG2-CZ3 3.88Å; R1524-W1526 HydrophobicContact CB-CE3 4.45Å; R1524-W1526 HydrophobicContact CB-CZ3 4.02Å; R1524-W1526 VanDerWaalsContact CD-CH2 3.46Å; R1524-W1526 HydrophobicContact CG-CD2 4.45Å; R1524-W1526 HydrophobicContact CG-CE3 4.02Å; R1524-W1526 HydrophobicContact CG-CH2 4.12Å; R1524-W1526 HydrophobicContact CG-CZ3 3.83Å; W1526-S1532 WeakPolarHBondContact CA-O 3.36Å; W1526-Q1533 HydrophobicContact CD2-CB 4.29Å; W1526-Q1533 HydrophobicContact CG-CB 4.17Å
1527D85Confident86.6Confident17 Ų1738 Ų389%0.09121%0.208CC..  trans-84.7136.5167.5-167.9-45.9000109.5K1514 V1529 D1530 N1531 S1532K1514-D1527 HydrophobicContact CD-CB 3.99Å; K1514-D1527 WeakPolarHBondContact CE-OD2 3.05Å; K1514-D1527 HydrophobicContact CG-CB 4.24Å; K1514-D1527 IonicContact NZ-OD2 3.83Å; K1514-D1527 PolarHBondContact NZ-OD2 2.84Å; D1527-V1529 WeakPolarHBondContact OD1-CA 3.33Å; D1527-V1529 WeakPolarHBondContact OD1-CB 3.46Å; D1527-V1529 PolarHBondContact OD1-N 2.85Å; D1527-D1530 VanDerWaalsContact CB-OD1 3.24Å; D1527-D1530 WeakPolarHBondContact CB-OD1 3.46Å; D1527-N1531 VanDerWaalsContact O-CA 3.28Å; D1527-N1531 WeakPolarHBondContact O-CA 3.16Å; D1527-N1531 PolarHBondContact O-N 2.67Å; D1527-S1532 PolarHBondContact N-O 3.41Å
1528F77.5Confident86.4Confident16 Ų1639.6 Ų39.67%0.0722%0.217CC..SBendtrans-85.2-20.4-180-71.9-19.4000114.3V1465 Y1472 C1474 V1483 R1497 L1499 M1510 L1515V1465-F1528 HydrophobicContact CG2-CD2 4.15Å; Y1472-F1528 HydrophobicContact CG-CE2 4.42Å; C1474-F1528 VanDerWaalsContact SG-CZ 3.6Å; V1483-F1528 HydrophobicContact CG1-CE1 4.18Å; V1483-F1528 HydrophobicContact CG1-CE2 4.09Å; V1483-F1528 HydrophobicContact CG1-CZ 3.75Å; V1483-F1528 HydrophobicContact CG2-CE1 3.92Å; V1483-F1528 HydrophobicContact CG2-CZ 3.97Å; R1497-F1528 PolarHBondContact NH1-O 2.94Å; R1497-F1528 VanDerWaalsContact NH2-CA 3.31Å; R1497-F1528 VanDerWaalsContact NH2-CB 3.3Å; R1497-F1528 PolarHBondContact NH2-O 3.46Å; L1499-F1528 HydrophobicContact CD1-CE1 4.39Å; M1510-F1528 HydrophobicContact CE-CE2 3.71Å; M1510-F1528 HydrophobicContact CE-CZ 4.05Å; M1510-F1528 HydrophobicContact SD-CE2 4.08Å; L1515-F1528 HydrophobicContact CB-CE1 3.76Å; L1515-F1528 HydrophobicContact CB-CE2 4.45Å; L1515-F1528 HydrophobicContact CB-CZ 3.59Å; L1515-F1528 HydrophobicContact CD2-CE1 4.14Å; L1515-F1528 HydrophobicContact CD2-CZ 4.08Å; L1515-F1528 HydrophobicContact CG-CZ 4.38Å
1529V74.8Confident86.1Confident120 Ų12042.7 Ų42.773%0.72723%0.233SC*.SBendtrans-85.2-52.5-173.9-174.50000110.9V1465 D1527V1465-V1529 HydrophobicContact CG1-CG2 4.25Å; D1527-V1529 WeakPolarHBondContact OD1-CA 3.33Å; D1527-V1529 WeakPolarHBondContact OD1-CB 3.46Å; D1527-V1529 PolarHBondContact OD1-N 2.85Å
1530D77.1Confident85.8Confident105 Ų10547.5 Ų47.556%0.56126%0.257SS*.SBendtrans-95-5.5178.372.25.3000113.6D1527 S1532D1527-D1530 VanDerWaalsContact CB-OD1 3.24Å; D1527-D1530 WeakPolarHBondContact CB-OD1 3.46Å; D1530-S1532 VanDerWaalsContact CG-OG 3.31Å; D1530-S1532 PolarHBondContact O-N 2.71Å; D1530-S1532 WeakPolarHBondContact OD1-CA 3.34Å; D1530-S1532 WeakPolarHBondContact OD1-CB 3.15Å; D1530-S1532 PolarHBondContact OD1-N 2.65Å; D1530-S1532 PolarHBondContact OD1-OG 2.79Å; D1530-S1532 PolarHBondContact OD2-OG 2.92Å
1531N75.4Confident85.5Confident95 Ų9546.6 Ų46.651%0.50825%0.249SC..  trans60.819.6-176.9-160.968.5000113.9R1497 D1527R1497-N1531 PolarHBondContact NH1-OD1 3.09Å; D1527-N1531 VanDerWaalsContact O-CA 3.28Å; D1527-N1531 WeakPolarHBondContact O-CA 3.16Å; D1527-N1531 PolarHBondContact O-N 2.67Å
1532S83.7Confident85.3Confident43 Ų4353 Ų5330%0.30128%0.277SS..  trans-71.2156.9174.768.80000112.2W1526 D1527 D1530W1526-S1532 WeakPolarHBondContact CA-O 3.36Å; D1527-S1532 PolarHBondContact N-O 3.41Å; D1530-S1532 VanDerWaalsContact CG-OG 3.31Å; D1530-S1532 PolarHBondContact O-N 2.71Å; D1530-S1532 WeakPolarHBondContact OD1-CA 3.34Å; D1530-S1532 WeakPolarHBondContact OD1-CB 3.15Å; D1530-S1532 PolarHBondContact OD1-N 2.65Å; D1530-S1532 PolarHBondContact OD1-OG 2.79Å; D1530-S1532 PolarHBondContact OD2-OG 2.92Å
1533Q84.8Confident85Confident105 Ų10554.9 Ų54.949%0.49129%0.29SS..EExtended strand (participates in β ladder)trans-135132.7172.974.1-171.2-63.300109.6R1524 M1525 W1526R1524-Q1533 HydrophobicContact CG-CB 4.38Å; M1525-Q1533 WeakPolarHBondContact O-CA 3.46Å; W1526-Q1533 HydrophobicContact CD2-CB 4.29Å; W1526-Q1533 HydrophobicContact CG-CB 4.17Å
1534H86.6Confident84.8Confident57 Ų5754.9 Ų54.926%0.26429%0.29SS..EExtended strand (participates in β ladder)trans-125.3129.9175.150.8-69.4000110.4R1524 M1525R1524-H1534 WeakPolarHBondContact CA-O 3.22Å; R1524-H1534 WeakPolarHBondContact CG-O 3.44Å; M1525-H1534 VanDerWaalsContact CB-CE1 3.45Å; M1525-H1534 WeakPolarHBondContact CB-CE1 3.41Å; M1525-H1534 WeakPolarHBondContact CB-NE2 3.37Å; M1525-H1534 WeakPolarHBondContact CG-CE1 3.38Å; M1525-H1534 PolarHBondContact N-O 2.92Å; M1525-H1534 PolarHBondContact O-N 2.93Å; M1525-H1534 PolarHBondContact O-ND1 2.83Å
1535A88.6Confident84.5Confident49 Ų4955.6 Ų55.641%0.40530%0.295SS..EExtended strand (participates in β ladder)trans-77.7126.7169.900000108.2L1537A1535-L1537 PolarHBondContact O-N 2.87Å
1536L90.6Very high84.3Confident0 Ų057.5 Ų57.50%030%0.304CS..SBendtrans-87.18.1-176.9-67.4170000112.9F1523 M1525 L1557 Y1565 L1567 G1580F1523-L1536 HydrophobicContact CB-CB 4.23Å; F1523-L1536 HydrophobicContact CB-CD1 4.25Å; F1523-L1536 PolarHBondContact O-N 2.87Å; M1525-L1536 HydrophobicContact CB-CD1 4.04Å; M1525-L1536 HydrophobicContact CB-CG 4.37Å; M1525-L1536 HydrophobicContact CE-CD1 4.19Å; L1536-L1557 HydrophobicContact CD1-CD1 3.29Å; L1536-Y1565 HydrophobicContact CD2-CD2 4.04Å; L1536-Y1565 HydrophobicContact CD2-CE2 4.1Å; L1536-L1567 HydrophobicContact CB-CD1 4.16Å; L1536-L1567 HydrophobicContact CB-CD2 4.23Å; L1536-L1567 HydrophobicContact CD1-CD2 4.39Å; L1536-L1567 WeakPolarHBondContact O-CD1 3.44Å; L1536-G1580 VanDerWaalsContact C-CA 3.5Å; L1536-G1580 WeakPolarHBondContact O-CA 2.83Å
1537L89.1Confident84.2Confident13 Ų1356.9 Ų56.97%0.06830%0.301CS..SBendtrans-129.5110.9176.1-168.481.3000108.7S1521 A1535 L1539 L1544 M1547 L1567 I1574S1521-L1537 VanDerWaalsContact O-CD2 3.3Å; S1521-L1537 WeakPolarHBondContact O-CD2 3.47Å; A1535-L1537 PolarHBondContact O-N 2.87Å; L1537-L1539 HydrophobicContact CD2-CD2 4.04Å; L1537-L1544 HydrophobicContact CD1-CB 4.46Å; L1537-L1544 HydrophobicContact CD1-CD1 3.95Å; L1537-L1544 HydrophobicContact CD1-CD2 4.33Å; L1537-L1544 HydrophobicContact CD1-CG 4.49Å; L1537-M1547 HydrophobicContact CD1-CG 4.5Å; L1537-M1547 HydrophobicContact CD2-CB 3.62Å; L1537-M1547 HydrophobicContact CD2-CE 4.38Å; L1537-M1547 HydrophobicContact CD2-CG 3.83Å; L1537-L1567 HydrophobicContact CD1-CD1 4.35Å; L1537-I1574 HydrophobicContact CD1-CD1 4.15Å
1538N89.1Confident84Confident33 Ų3360.6 Ų60.618%0.17632%0.321CS..  trans-91.8109.9-178.6-172.1-25.2000110.1E1540 D1541 N1579 G1580 R1581N1538-E1540 VanDerWaalsContact C-N 3.28Å; N1538-E1540 PolarHBondContact O-N 2.87Å; N1538-E1540 WeakPolarHBondContact OD1-CB 3.34Å; N1538-E1540 WeakPolarHBondContact OD1-CG 3.15Å; N1538-E1540 PolarHBondContact OD1-N 2.87Å; N1538-D1541 VanDerWaalsContact O-CB 3.3Å; N1538-D1541 WeakPolarHBondContact O-CB 3.26Å; N1538-D1541 PolarHBondContact O-N 2.75Å; N1538-N1579 WeakPolarHBondContact CB-O 3.26Å; N1538-G1580 WeakPolarHBondContact CB-O 3.29Å; N1538-G1580 PolarHBondContact N-O 3.34Å; N1538-R1581 HydrophobicContact CB-CG 3.85Å; N1538-R1581 PolarHBondContact ND2-NE 3.14Å
1539L85.2Confident84Confident65 Ų6567.9 Ų67.934%0.3436%0.355SS..THydrogen-bonded Turntrans-82-2.8-176.1-61.8162.6000113.5L1537 D1541 Q1545 M1547 N1548L1537-L1539 HydrophobicContact CD2-CD2 4.04Å; L1539-D1541 VanDerWaalsContact C-N 3.27Å; L1539-Q1545 WeakPolarHBondContact O-CG 3.48Å; L1539-Q1545 PolarHBondContact O-NE2 3.04Å; L1539-M1547 HydrophobicContact CD2-CB 4.46Å; L1539-N1548 WeakPolarHBondContact CD1-OD1 3.2Å; L1539-N1548 WeakPolarHBondContact CD2-OD1 3.45Å
1540E84.5Confident84Confident133 Ų13363.2 Ų63.262%0.62133%0.329SS*.THydrogen-bonded Turntrans-72.4-25.2165.7-53.9177.1149.200111.2N1538 H1542 R1581N1538-E1540 VanDerWaalsContact C-N 3.28Å; N1538-E1540 PolarHBondContact O-N 2.87Å; N1538-E1540 WeakPolarHBondContact OD1-CB 3.34Å; N1538-E1540 WeakPolarHBondContact OD1-CG 3.15Å; N1538-E1540 PolarHBondContact OD1-N 2.87Å; E1540-H1542 PolarHBondContact O-N 2.69Å; E1540-H1542 VanDerWaalsContact O-N 3.14Å; E1540-R1581 IonicContact OE2-NH2 2.76Å; E1540-R1581 PolarHBondContact OE2-NH2 2.84Å
1541D84.8Confident84.3Confident34 Ų3461.5 Ų61.518%0.18233%0.329CS..SBendtrans-68.9107.7173.7-174.2-21.2000109.5N1538 L1539 S1543 L1544 Q1545 R1582N1538-D1541 VanDerWaalsContact O-CB 3.3Å; N1538-D1541 WeakPolarHBondContact O-CB 3.26Å; N1538-D1541 PolarHBondContact O-N 2.75Å; L1539-D1541 VanDerWaalsContact C-N 3.27Å; D1541-S1543 VanDerWaalsContact CG-OG 3.22Å; D1541-S1543 PolarHBondContact O-N 3Å; D1541-S1543 WeakPolarHBondContact OD1-CA 3.45Å; D1541-S1543 WeakPolarHBondContact OD1-CB 3.33Å; D1541-S1543 PolarHBondContact OD1-N 3.35Å; D1541-S1543 PolarHBondContact OD1-OG 3.46Å; D1541-S1543 PolarHBondContact OD2-OG 2.86Å; D1541-L1544 HydrophobicContact CB-CB 4.23Å; D1541-L1544 HydrophobicContact CB-CD1 4Å; D1541-L1544 HydrophobicContact CB-CG 4.06Å; D1541-L1544 WeakPolarHBondContact O-CA 3.35Å; D1541-L1544 PolarHBondContact O-N 2.83Å; D1541-Q1545 PolarHBondContact O-N 3.49Å; D1541-Q1545 VanDerWaalsContact O-N 3.13Å; D1541-R1582 WeakPolarHBondContact OD2-CB 3.3Å; D1541-R1582 PolarHBondContact OD2-N 2.88Å
1542H82.6Confident85Confident154 Ų15458 Ų5871%0.71331%0.31SS*.THydrogen-bonded Turntrans-55.4-22.5177.2-69.4-62.4000113.5E1540 L1544 Q1545E1540-H1542 PolarHBondContact O-N 2.69Å; E1540-H1542 VanDerWaalsContact O-N 3.14Å; H1542-L1544 VanDerWaalsContact C-N 3.28Å; H1542-L1544 PolarHBondContact O-N 3.05Å; H1542-Q1545 PolarHBondContact ND1-NE2 2.82Å; H1542-Q1545 PolarHBondContact ND1-OE1 3.33Å
1543S83.6Confident85.3Confident41 Ų4158.1 Ų58.129%0.28731%0.306SS..THydrogen-bonded Turntrans-76.8-12.7174.681.40000113.8D1541 F1546 R1582D1541-S1543 VanDerWaalsContact CG-OG 3.22Å; D1541-S1543 PolarHBondContact O-N 3Å; D1541-S1543 WeakPolarHBondContact OD1-CA 3.45Å; D1541-S1543 WeakPolarHBondContact OD1-CB 3.33Å; D1541-S1543 PolarHBondContact OD1-N 3.35Å; D1541-S1543 PolarHBondContact OD1-OG 3.46Å; D1541-S1543 PolarHBondContact OD2-OG 2.86Å; S1543-F1546 WeakPolarHBondContact O-CD1 3.06Å; S1543-F1546 WeakPolarHBondContact O-CE1 3.46Å; S1543-R1582 PolarHBondContact O-NH2 3Å; S1543-R1582 WeakPolarHBondContact OG-CB 3.46Å; S1543-R1582 WeakPolarHBondContact OG-CD 3.45Å; S1543-R1582 PolarHBondContact OG-NE 3.43Å
1544L87.9Confident85.7Confident0 Ų053.1 Ų53.10%028%0.284CS..THydrogen-bonded Turntrans-113.6-14.8-178.5-58.6-179000113.4L1537 D1541 H1542 F1546 M1547 I1574 G1580 R1582L1537-L1544 HydrophobicContact CD1-CB 4.46Å; L1537-L1544 HydrophobicContact CD1-CD1 3.95Å; L1537-L1544 HydrophobicContact CD1-CD2 4.33Å; L1537-L1544 HydrophobicContact CD1-CG 4.49Å; D1541-L1544 HydrophobicContact CB-CB 4.23Å; D1541-L1544 HydrophobicContact CB-CD1 4Å; D1541-L1544 HydrophobicContact CB-CG 4.06Å; D1541-L1544 WeakPolarHBondContact O-CA 3.35Å; D1541-L1544 PolarHBondContact O-N 2.83Å; H1542-L1544 VanDerWaalsContact C-N 3.28Å; H1542-L1544 PolarHBondContact O-N 3.05Å; L1544-F1546 PolarHBondContact O-N 3.06Å; L1544-M1547 WeakPolarHBondContact O-CB 3.15Å; L1544-M1547 WeakPolarHBondContact O-CG 3.49Å; L1544-M1547 PolarHBondContact O-N 3.26Å; L1544-I1574 HydrophobicContact CD2-CD1 3.98Å; L1544-I1574 HydrophobicContact CD2-CG2 3.73Å; L1544-G1580 WeakPolarHBondContact CD1-O 3.25Å; L1544-R1582 HydrophobicContact CD1-CB 4.39Å; L1544-R1582 HydrophobicContact CD2-CB 4.19Å; L1544-R1582 HydrophobicContact CG-CB 4.32Å
1545Q84.9Confident86Confident72 Ų7252.4 Ų52.434%0.33628%0.284SS..THydrogen-bonded Turntrans-54-20.5-178.9-82.2175.1-3.400115.9L1539 D1541 H1542 M1547 N1548L1539-Q1545 WeakPolarHBondContact O-CG 3.48Å; L1539-Q1545 PolarHBondContact O-NE2 3.04Å; D1541-Q1545 PolarHBondContact O-N 3.49Å; D1541-Q1545 VanDerWaalsContact O-N 3.13Å; H1542-Q1545 PolarHBondContact ND1-NE2 2.82Å; H1542-Q1545 PolarHBondContact ND1-OE1 3.33Å; Q1545-M1547 PolarHBondContact O-N 3.09Å; Q1545-N1548 PolarHBondContact O-N 2.84Å
1546F85.4Confident86.2Confident42 Ų4252 Ų5218%0.18428%0.275CS..THydrogen-bonded Turntrans-62.2-29173.374.7-88.4000112.6R1154 S1543 L1544 N1548 H1549 A1550 Y1552 L1572 I1574R1154-F1546 VanDerWaalsContact CD-CE2 3.4Å; R1154-F1546 VanDerWaalsContact CD-CZ 3.45Å; R1154-F1546 VanDerWaalsContact CZ-CE1 3.47Å; R1154-F1546 VanDerWaalsContact NH1-CD1 3.34Å; S1543-F1546 WeakPolarHBondContact O-CD1 3.06Å; S1543-F1546 WeakPolarHBondContact O-CE1 3.46Å; L1544-F1546 PolarHBondContact O-N 3.06Å; F1546-N1548 VanDerWaalsContact C-N 3.26Å; F1546-N1548 PolarHBondContact O-N 3.14Å; F1546-H1549 PolarHBondContact O-N 2.95Å; F1546-A1550 PolarHBondContact O-N 3.39Å; F1546-Y1552 HydrophobicContact CE2-CE2 4.25Å; F1546-L1572 HydrophobicContact CE2-CD2 4.2Å; F1546-L1572 HydrophobicContact CZ-CD2 4.33Å; F1546-I1574 HydrophobicContact CZ-CD1 4.11Å
1547M86.9Confident86.3Confident0 Ų052.5 Ų52.50%028%0.277CS..Hα-helixtrans-61-31.5-177.4-70.3-64.7-67.500113S1521 L1537 L1539 L1544 Q1545 H1549 A1550 Y1552 F1569 I1574S1521-M1547 WeakPolarHBondContact CB-O 3.48Å; S1521-M1547 PolarHBondContact OG-O 3.42Å; L1537-M1547 HydrophobicContact CD1-CG 4.5Å; L1537-M1547 HydrophobicContact CD2-CB 3.62Å; L1537-M1547 HydrophobicContact CD2-CE 4.38Å; L1537-M1547 HydrophobicContact CD2-CG 3.83Å; L1539-M1547 HydrophobicContact CD2-CB 4.46Å; L1544-M1547 WeakPolarHBondContact O-CB 3.15Å; L1544-M1547 WeakPolarHBondContact O-CG 3.49Å; L1544-M1547 PolarHBondContact O-N 3.26Å; Q1545-M1547 PolarHBondContact O-N 3.09Å; M1547-H1549 PolarHBondContact O-N 3.31Å; M1547-H1549 VanDerWaalsContact O-N 3.09Å; M1547-A1550 WeakPolarHBondContact O-CB 3.41Å; M1547-A1550 PolarHBondContact O-N 2.83Å; M1547-A1550 VanDerWaalsContact O-N 3.13Å; M1547-A1550 HydrophobicContact SD-CB 4.3Å; M1547-Y1552 HydrophobicContact CE-CD2 4.33Å; M1547-Y1552 HydrophobicContact SD-CD2 4.02Å; M1547-Y1552 HydrophobicContact SD-CE2 4.38Å; M1547-F1569 HydrophobicContact CE-CD1 3.82Å; M1547-F1569 HydrophobicContact CE-CD2 3.83Å; M1547-F1569 HydrophobicContact CE-CE1 3.62Å; M1547-F1569 HydrophobicContact CE-CE2 3.62Å; M1547-F1569 HydrophobicContact CE-CG 3.93Å; M1547-F1569 HydrophobicContact CE-CZ 3.51Å; M1547-I1574 HydrophobicContact CG-CD1 4.08Å; M1547-I1574 HydrophobicContact SD-CD1 3.99Å
1548N80.3Confident86.5Confident95 Ų9552 Ų5251%0.50828%0.275SS..Hα-helixtrans-56.2-26.3174-84.8-23.3000114L1539 Q1545 F1546L1539-N1548 WeakPolarHBondContact CD1-OD1 3.2Å; L1539-N1548 WeakPolarHBondContact CD2-OD1 3.45Å; Q1545-N1548 PolarHBondContact O-N 2.84Å; F1546-N1548 VanDerWaalsContact C-N 3.26Å; F1546-N1548 PolarHBondContact O-N 3.14Å
1549H77.6Confident86.6Confident169 Ų16953.7 Ų53.778%0.78228%0.282SS*.Hα-helixtrans-111-3.1-176.8-52.591.7000112.4F1546 M1547F1546-H1549 PolarHBondContact O-N 2.95Å; M1547-H1549 PolarHBondContact O-N 3.31Å; M1547-H1549 VanDerWaalsContact O-N 3.09Å
1550A75.6Confident86.9Confident22 Ų2251.7 Ų51.718%0.18227%0.272CS..Hα-helixtrans-80.7-36.2-173.200000113.2F1546 M1547 Y1552F1546-A1550 PolarHBondContact O-N 3.39Å; M1547-A1550 WeakPolarHBondContact O-CB 3.41Å; M1547-A1550 PolarHBondContact O-N 2.83Å; M1547-A1550 VanDerWaalsContact O-N 3.13Å; M1547-A1550 HydrophobicContact SD-CB 4.3Å; A1550-Y1552 HydrophobicContact CB-CD1 3.8Å; A1550-Y1552 HydrophobicContact CB-CD2 3.82Å; A1550-Y1552 HydrophobicContact CB-CE1 3.7Å; A1550-Y1552 HydrophobicContact CB-CE2 3.75Å; A1550-Y1552 HydrophobicContact CB-CG 3.83Å; A1550-Y1552 WeakPolarHBondContact O-CD1 3.2Å; A1550-Y1552 WeakPolarHBondContact O-CE1 3.33Å; A1550-Y1552 PolarHBondContact O-N 3.11Å
1551A82.9Confident87.1Confident69 Ų6947.9 Ų47.957%0.5726%0.26SS*.  trans50.932.8-172.500000114.5S1521S1521-A1551 VanDerWaalsContact OG-CA 3.31Å; S1521-A1551 WeakPolarHBondContact OG-CA 3.43Å; S1521-A1551 PolarHBondContact OG-N 3.23Å
1552Y90.1Very high87.1Confident23 Ų2351.4 Ų51.49%0.0928%0.279CS..  trans-75.3130.5-176.2-59.6-20.8000111.7T1153 S1521 F1546 M1547 A1550 E1570 K1571 L1572T1153-Y1552 HydrophobicContact CG2-CE2 4.09Å; T1153-Y1552 PolarHBondContact OG1-OH 3.16Å; S1521-Y1552 PolarHBondContact N-O 3.39Å; S1521-Y1552 PolarHBondContact OG-N 3.1Å; F1546-Y1552 HydrophobicContact CE2-CE2 4.25Å; M1547-Y1552 HydrophobicContact CE-CD2 4.33Å; M1547-Y1552 HydrophobicContact SD-CD2 4.02Å; M1547-Y1552 HydrophobicContact SD-CE2 4.38Å; A1550-Y1552 HydrophobicContact CB-CD1 3.8Å; A1550-Y1552 HydrophobicContact CB-CD2 3.82Å; A1550-Y1552 HydrophobicContact CB-CE1 3.7Å; A1550-Y1552 HydrophobicContact CB-CE2 3.75Å; A1550-Y1552 HydrophobicContact CB-CG 3.83Å; A1550-Y1552 WeakPolarHBondContact O-CD1 3.2Å; A1550-Y1552 WeakPolarHBondContact O-CE1 3.33Å; A1550-Y1552 PolarHBondContact O-N 3.11Å; Y1552-E1570 WeakPolarHBondContact CA-OE1 3.28Å; Y1552-K1571 HydrophobicContact CD1-CD 3.89Å; Y1552-K1571 HydrophobicContact CD1-CG 3.82Å; Y1552-K1571 HydrophobicContact CD2-CB 4.31Å; Y1552-K1571 HydrophobicContact CD2-CG 4.38Å; Y1552-K1571 HydrophobicContact CE1-CB 4.46Å; Y1552-K1571 HydrophobicContact CE1-CD 3.63Å; Y1552-K1571 HydrophobicContact CE1-CG 3.93Å; Y1552-K1571 HydrophobicContact CE2-CB 4.19Å; Y1552-K1571 HydrophobicContact CE2-CG 4.45Å; Y1552-K1571 HydrophobicContact CG-CG 4.1Å; Y1552-L1572 HydrophobicContact CD2-CD2 4.41Å; Y1552-L1572 HydrophobicContact CE2-CD2 3.83Å
1553D90.5Very high87.4Confident44 Ų4451.4 Ų51.424%0.23528%0.277CS..  trans-60.9136.1173.5-78.118.4000112Y1425 Q1506 F1569 E1570Y1425-D1553 PolarHBondContact OH-OD2 2.74Å; Q1506-D1553 PolarHBondContact NE2-OD1 3.16Å; Q1506-D1553 PolarHBondContact NE2-OD2 3.34Å; D1553-F1569 CarbonylContact O-C 3.54Å; D1553-F1569 WeakPolarHBondContact O-CA 3.41Å; D1553-F1569 WeakPolarHBondContact O-CB 3.38Å; D1553-E1570 HydrophobicContact CB-CB 4.44Å; D1553-E1570 HydrophobicContact CB-CG 4.07Å; D1553-E1570 PolarHBondContact O-N 2.88Å
1554A92.2Very high87.8Confident1 Ų150.5 Ų50.51%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-97.8106.7-17300000111.8S1507 Y1519 F1523 F1569S1507-A1554 VanDerWaalsContact CB-O 3.29Å; S1507-A1554 WeakPolarHBondContact CB-O 3.4Å; S1507-A1554 PolarHBondContact OG-O 3.47Å; Y1519-A1554 VanDerWaalsContact O-CB 3.32Å; Y1519-A1554 WeakPolarHBondContact O-CB 3.32Å; F1523-A1554 HydrophobicContact CD2-CB 4.19Å; F1523-A1554 HydrophobicContact CE1-CB 4.17Å; F1523-A1554 HydrophobicContact CE2-CB 3.7Å; F1523-A1554 HydrophobicContact CZ-CB 3.7Å; A1554-F1569 HydrophobicContact CB-CD1 3.96Å; A1554-F1569 HydrophobicContact CB-CE1 3.98Å
1555C92.8Very high88Confident42 Ų4251.3 Ų51.328%0.28427%0.271SS..EExtended strand (participates in β ladder)trans-94.8-50.1-161.9-55.60000114.8S1507 V1568 E1570 F1597S1507-C1555 WeakPolarHBondContact CB-O 3.49Å; C1555-V1568 PolarHBondContact N-O 2.68Å; C1555-E1570 PolarHBondContact SG-N 3.36Å; C1555-E1570 VanDerWaalsContact SG-N 3.39Å; C1555-F1597 HydrophobicContact CB-CD2 3.6Å; C1555-F1597 HydrophobicContact CB-CE2 3.6Å; C1555-F1597 HydrophobicContact CB-CG 4.44Å; C1555-F1597 HydrophobicContact CB-CZ 4.43Å; C1555-F1597 VanDerWaalsContact SG-CE2 3.54Å
1556I92.9Very high88.5Confident40 Ų4047.9 Ų47.921%0.20526%0.255CS..EExtended strand (participates in β ladder)trans-153.8142.5178.6-173.8169.5000111.2F1523 I1558 V1568 F1597 F1599F1523-I1556 WeakPolarHBondContact CZ-O 3.26Å; I1556-I1558 HydrophobicContact CD1-CG1 4.35Å; I1556-I1558 HydrophobicContact CG1-CG1 4.27Å; I1556-I1558 HydrophobicContact CG2-CD1 4.39Å; I1556-V1568 HydrophobicContact CG2-CB 3.57Å; I1556-V1568 HydrophobicContact CG2-CG1 4Å; I1556-V1568 HydrophobicContact CG2-CG2 3.8Å; I1556-V1568 PolarHBondContact N-O 2.78Å; I1556-V1568 WeakPolarHBondContact O-CA 3.34Å; I1556-V1568 VanDerWaalsContact O-CB 3.29Å; I1556-V1568 WeakPolarHBondContact O-CB 3.42Å; I1556-V1568 PolarHBondContact O-N 2.93Å; I1556-F1597 HydrophobicContact CG2-CB 4.12Å; I1556-F1597 HydrophobicContact CG2-CG 4.49Å; I1556-F1599 HydrophobicContact CD1-CB 4.19Å
1557L94.2Very high89Confident10 Ų1045.9 Ų45.95%0.05225%0.247CC..EExtended strand (participates in β ladder)trans-99.5133.8164.5176.3147.2000109.2V1511 C1516 F1523 M1525 L1536 Y1565 L1567V1511-L1557 HydrophobicContact CG1-CD2 4.19Å; V1511-L1557 HydrophobicContact CG2-CD2 3.98Å; C1516-L1557 VanDerWaalsContact SG-CD1 3.57Å; F1523-L1557 HydrophobicContact CD1-CB 4.18Å; F1523-L1557 HydrophobicContact CE1-CB 4.13Å; M1525-L1557 HydrophobicContact CE-CD1 4.24Å; M1525-L1557 HydrophobicContact CE-CD2 4.43Å; L1536-L1557 HydrophobicContact CD1-CD1 3.29Å; L1557-Y1565 HydrophobicContact CD1-CD1 4.22Å; L1557-Y1565 HydrophobicContact CD1-CG 4.19Å; L1557-Y1565 HydrophobicContact CD2-CD1 3.81Å; L1557-Y1565 HydrophobicContact CD2-CE1 4.31Å; L1557-Y1565 HydrophobicContact CG-CD1 4.33Å; L1557-L1567 HydrophobicContact CB-CD2 4.48Å; L1557-L1567 HydrophobicContact CD1-CD2 3.53Å; L1557-L1567 HydrophobicContact CG-CD2 4.09Å
1558I93.2Very high89.4Confident3 Ų345.9 Ų45.92%0.01525%0.247CC..EExtended strand (participates in β ladder)trans-119.9134.5175.5-67.9163.1000108.9I1556 V1560 Y1565 L1566 V1568 F1599 L1604 V1617I1556-I1558 HydrophobicContact CD1-CG1 4.35Å; I1556-I1558 HydrophobicContact CG1-CG1 4.27Å; I1556-I1558 HydrophobicContact CG2-CD1 4.39Å; I1558-V1560 HydrophobicContact CG2-CG2 4.41Å; I1558-Y1565 CarbonylContact O-C 3.49Å; I1558-Y1565 WeakPolarHBondContact O-CA 3.4Å; I1558-L1566 HydrophobicContact CB-CB 4.19Å; I1558-L1566 HydrophobicContact CB-CD2 4.44Å; I1558-L1566 HydrophobicContact CD1-CD2 4.14Å; I1558-L1566 PolarHBondContact N-O 2.83Å; I1558-L1566 PolarHBondContact O-N 3.03Å; I1558-V1568 HydrophobicContact CD1-CG2 4.16Å; I1558-F1599 HydrophobicContact CD1-CB 4.03Å; I1558-F1599 HydrophobicContact CD1-CD2 3.65Å; I1558-F1599 HydrophobicContact CD1-CE2 4.28Å; I1558-F1599 HydrophobicContact CD1-CG 3.84Å; I1558-F1599 HydrophobicContact CG1-CB 4.2Å; I1558-F1599 HydrophobicContact CG1-CD1 4.17Å; I1558-F1599 HydrophobicContact CG1-CD2 4.07Å; I1558-F1599 HydrophobicContact CG1-CG 3.88Å; I1558-F1599 HydrophobicContact CG2-CD1 4.22Å; I1558-F1599 HydrophobicContact CG2-CD2 4.08Å; I1558-F1599 HydrophobicContact CG2-CE1 3.81Å; I1558-F1599 HydrophobicContact CG2-CE2 3.68Å; I1558-F1599 HydrophobicContact CG2-CG 4.35Å; I1558-F1599 HydrophobicContact CG2-CZ 3.51Å; I1558-L1604 HydrophobicContact CD1-CB 4.18Å; I1558-L1604 HydrophobicContact CD1-CD1 3.9Å; I1558-L1604 HydrophobicContact CD1-CD2 4.09Å; I1558-L1604 HydrophobicContact CD1-CG 4.27Å; I1558-V1617 HydrophobicContact CD1-CG1 4.31Å; I1558-V1617 HydrophobicContact CG2-CB 4.48Å; I1558-V1617 HydrophobicContact CG2-CG1 4.34Å; I1558-V1617 HydrophobicContact CG2-CG2 4.09Å
1559E91.4Very high90Very high69 Ų6941.3 Ų41.332%0.32222%0.222SC..EExtended strand (participates in β ladder)trans-85120.8170.5-170.7175.3119.600109.1V1511 R1512 Y1565V1511-E1559 WeakPolarHBondContact CG1-OE2 3.36Å; R1512-E1559 WeakPolarHBondContact CD-OE2 3.37Å; R1512-E1559 WeakPolarHBondContact CG-OE2 3.14Å; R1512-E1559 IonicContact CZ-OE1 2.7Å; R1512-E1559 VanDerWaalsContact CZ-OE1 3.29Å; R1512-E1559 IonicContact CZ-OE2 2.63Å; R1512-E1559 IonicContact NE-OE1 3.1Å; R1512-E1559 PolarHBondContact NE-OE1 3.17Å; R1512-E1559 VanDerWaalsContact NE-OE1 3.09Å; R1512-E1559 IonicContact NE-OE2 3.76Å; R1512-E1559 PolarHBondContact NE-OE2 3.13Å; R1512-E1559 IonicContact NH2-OE1 2.76Å; R1512-E1559 PolarHBondContact NH2-OE1 3.37Å; R1512-E1559 IonicContact NH2-OE2 3.94Å; E1559-Y1565 HydrophobicContact CB-CD1 4.26Å; E1559-Y1565 HydrophobicContact CB-CE1 4.28Å; E1559-Y1565 HydrophobicContact CG-CD1 4.31Å; E1559-Y1565 HydrophobicContact CG-CE1 4.03Å
1560V90.2Very high90.7Very high22 Ų2235.8 Ų35.813%0.13320%0.197CC..EExtended strand (participates in β ladder)trans-101.3-32.3-177.1-173.90000110.7I1558 E1564 L1566 Y1575 V1617I1558-V1560 HydrophobicContact CG2-CG2 4.41Å; V1560-E1564 HydrophobicContact CB-CB 4.46Å; V1560-E1564 HydrophobicContact CB-CG 4.22Å; V1560-E1564 WeakPolarHBondContact CG1-OE2 3.35Å; V1560-E1564 PolarHBondContact N-O 3.35Å; V1560-L1566 HydrophobicContact CG2-CB 3.59Å; V1560-Y1575 HydrophobicContact CG1-CE1 4.28Å; V1560-Y1575 HydrophobicContact CG2-CD1 4.18Å; V1560-Y1575 HydrophobicContact CG2-CE1 3.95Å; V1560-V1617 HydrophobicContact CG2-CB 4.47Å; V1560-V1617 HydrophobicContact CG2-CG2 4.34Å
1561S89.5Confident91.4Very high54 Ų5437.7 Ų37.738%0.37820%0.201SC..EExtended strand (participates in β ladder)trans-161.4176.1168.968.30000110.1K1563 E1564S1561-K1563 PolarHBondContact O-N 2.99Å; S1561-K1563 PolarHBondContact OG-N 2.89Å; S1561-E1564 PolarHBondContact N-O 2.77Å; S1561-E1564 PolarHBondContact O-N 3.09Å; S1561-E1564 WeakPolarHBondContact OG-CB 3.4Å; S1561-E1564 PolarHBondContact OG-N 3.49Å
1562D84.8Confident91.9Very high107 Ų10734.4 Ų34.457%0.57217%0.174SC*.THydrogen-bonded Turntrans-50.7-16.7172.6-72.3-52.2000116R1512R1512-D1562 IonicContact CZ-OD1 2.68Å; R1512-D1562 VanDerWaalsContact CZ-OD1 3.29Å; R1512-D1562 IonicContact NH1-OD1 3.9Å; R1512-D1562 PolarHBondContact NH1-OD1 3.03Å; R1512-D1562 IonicContact NH2-OD1 2.74Å; R1512-D1562 PolarHBondContact NH2-OD1 3.38Å
1563K87.5Confident92.1Very high155 Ų15533.3 Ų33.367%0.67417%0.17SC*.THydrogen-bonded Turntrans-123.6-2-172.2-60.4177.9-170.7175.20113.5S1561 D1577 L1578S1561-K1563 PolarHBondContact O-N 2.99Å; S1561-K1563 PolarHBondContact OG-N 2.89Å; K1563-D1577 WeakPolarHBondContact O-CA 3.31Å; K1563-L1578 PolarHBondContact O-N 3.14Å
1564E92.6Very high92.2Very high21 Ų2131.2 Ų31.210%0.09816%0.158CC..EExtended strand (participates in β ladder)trans-145.1127.9-167.9-177.5174.2-117.100112.6V1560 S1561 Y1575 V1576 S1583 R1584V1560-E1564 HydrophobicContact CB-CB 4.46Å; V1560-E1564 HydrophobicContact CB-CG 4.22Å; V1560-E1564 WeakPolarHBondContact CG1-OE2 3.35Å; V1560-E1564 PolarHBondContact N-O 3.35Å; S1561-E1564 PolarHBondContact N-O 2.77Å; S1561-E1564 PolarHBondContact O-N 3.09Å; S1561-E1564 WeakPolarHBondContact OG-CB 3.4Å; S1561-E1564 PolarHBondContact OG-N 3.49Å; E1564-Y1575 HydrophobicContact CG-CD1 4.26Å; E1564-V1576 WeakPolarHBondContact CA-O 3.49Å; E1564-S1583 WeakPolarHBondContact OE1-CB 3.25Å; E1564-S1583 PolarHBondContact OE1-OG 3.22Å; E1564-R1584 VanDerWaalsContact CD-NE 3.3Å; E1564-R1584 WeakPolarHBondContact OE1-CG 3.44Å; E1564-R1584 IonicContact OE1-CZ 3.18Å; E1564-R1584 IonicContact OE1-NE 2.72Å; E1564-R1584 PolarHBondContact OE1-NE 2.91Å; E1564-R1584 IonicContact OE1-NH2 2.87Å; E1564-R1584 IonicContact OE2-CZ 2.93Å; E1564-R1584 VanDerWaalsContact OE2-CZ 3.25Å; E1564-R1584 IonicContact OE2-NE 2.78Å; E1564-R1584 PolarHBondContact OE2-NE 2.95Å; E1564-R1584 IonicContact OE2-NH2 2.68Å; E1564-R1584 PolarHBondContact OE2-NH2 3.23Å
1565Y93.2Very high92.4Very high17 Ų1731.2 Ų31.27%0.06716%0.158CC..EExtended strand (participates in β ladder)trans-111.2145.9171-58.6-70.3000110.6V1511 L1536 L1557 I1558 E1559 Y1575 V1576 L1578V1511-Y1565 HydrophobicContact CG1-CE1 4.37Å; L1536-Y1565 HydrophobicContact CD2-CD2 4.04Å; L1536-Y1565 HydrophobicContact CD2-CE2 4.1Å; L1557-Y1565 HydrophobicContact CD1-CD1 4.22Å; L1557-Y1565 HydrophobicContact CD1-CG 4.19Å; L1557-Y1565 HydrophobicContact CD2-CD1 3.81Å; L1557-Y1565 HydrophobicContact CD2-CE1 4.31Å; L1557-Y1565 HydrophobicContact CG-CD1 4.33Å; I1558-Y1565 CarbonylContact O-C 3.49Å; I1558-Y1565 WeakPolarHBondContact O-CA 3.4Å; E1559-Y1565 HydrophobicContact CB-CD1 4.26Å; E1559-Y1565 HydrophobicContact CB-CE1 4.28Å; E1559-Y1565 HydrophobicContact CG-CD1 4.31Å; E1559-Y1565 HydrophobicContact CG-CE1 4.03Å; Y1565-Y1575 WeakPolarHBondContact O-CA 3.38Å; Y1565-V1576 PolarHBondContact N-O 2.72Å; Y1565-V1576 PolarHBondContact O-N 2.82Å; Y1565-L1578 HydrophobicContact CD2-CD2 4.25Å; Y1565-L1578 HydrophobicContact CE2-CD2 3.51Å
1566L95.4Very high92.4Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-101.2112.1165.8167.964000108I1558 V1560 V1568 I1574 Y1575 L1588 L1604 V1617I1558-L1566 HydrophobicContact CB-CB 4.19Å; I1558-L1566 HydrophobicContact CB-CD2 4.44Å; I1558-L1566 HydrophobicContact CD1-CD2 4.14Å; I1558-L1566 PolarHBondContact N-O 2.83Å; I1558-L1566 PolarHBondContact O-N 3.03Å; V1560-L1566 HydrophobicContact CG2-CB 3.59Å; L1566-V1568 HydrophobicContact CD1-CG2 4.43Å; L1566-V1568 HydrophobicContact CD2-CG2 4.22Å; L1566-V1568 HydrophobicContact CG-CG2 3.91Å; L1566-I1574 WeakPolarHBondContact CA-O 3.44Å; L1566-Y1575 HydrophobicContact CB-CD1 4.2Å; L1566-Y1575 HydrophobicContact CB-CE1 4.16Å; L1566-Y1575 HydrophobicContact CD1-CD1 4.39Å; L1566-Y1575 HydrophobicContact CD1-CD2 4.16Å; L1566-Y1575 HydrophobicContact CD1-CE1 4.27Å; L1566-Y1575 HydrophobicContact CD1-CE2 4.03Å; L1566-Y1575 HydrophobicContact CD1-CG 4.34Å; L1566-Y1575 HydrophobicContact CD2-CE1 4.47Å; L1566-L1588 HydrophobicContact CD1-CD1 4.01Å; L1566-L1588 HydrophobicContact CD1-CG 4.19Å; L1566-L1588 HydrophobicContact CD2-CD1 3.56Å; L1566-L1588 HydrophobicContact CG-CD1 4.41Å; L1566-L1604 HydrophobicContact CD2-CD2 4.16Å; L1566-V1617 HydrophobicContact CD2-CB 3.9Å; L1566-V1617 HydrophobicContact CD2-CG1 3.64Å
1567L94.9Very high92.4Very high0 Ų029.2 Ų29.20%015%0.145CC..EExtended strand (participates in β ladder)trans-90.2108.2174.5-55.6-171.8000109.1F1523 L1536 L1537 L1557 F1569 G1573 I1574 V1576F1523-L1567 HydrophobicContact CB-CD1 4.43Å; F1523-L1567 HydrophobicContact CB-CD2 4.07Å; F1523-L1567 HydrophobicContact CD2-CB 3.85Å; F1523-L1567 HydrophobicContact CD2-CD1 4.06Å; F1523-L1567 HydrophobicContact CD2-CD2 3.87Å; F1523-L1567 HydrophobicContact CD2-CG 4.14Å; F1523-L1567 HydrophobicContact CE2-CB 3.92Å; F1523-L1567 HydrophobicContact CE2-CD2 4.47Å; F1523-L1567 HydrophobicContact CG-CD2 3.99Å; L1536-L1567 HydrophobicContact CB-CD1 4.16Å; L1536-L1567 HydrophobicContact CB-CD2 4.23Å; L1536-L1567 HydrophobicContact CD1-CD2 4.39Å; L1536-L1567 WeakPolarHBondContact O-CD1 3.44Å; L1537-L1567 HydrophobicContact CD1-CD1 4.35Å; L1557-L1567 HydrophobicContact CB-CD2 4.48Å; L1557-L1567 HydrophobicContact CD1-CD2 3.53Å; L1557-L1567 HydrophobicContact CG-CD2 4.09Å; L1567-F1569 HydrophobicContact CB-CD2 4.48Å; L1567-F1569 HydrophobicContact CB-CE2 3.7Å; L1567-F1569 HydrophobicContact CB-CZ 4.17Å; L1567-F1569 HydrophobicContact CD1-CE2 4.47Å; L1567-F1569 HydrophobicContact CD1-CZ 4.38Å; L1567-G1573 CarbonylContact O-C 3.57Å; L1567-G1573 VanDerWaalsContact O-CA 3.31Å; L1567-G1573 WeakPolarHBondContact O-CA 3.47Å; L1567-I1574 PolarHBondContact N-O 3.22Å; L1567-I1574 PolarHBondContact O-N 3.4Å; L1567-V1576 HydrophobicContact CD1-CG1 4.04Å; L1567-V1576 HydrophobicContact CD1-CG2 3.94Å; L1567-V1576 HydrophobicContact CD2-CG2 4.29Å; L1567-V1576 HydrophobicContact CG-CG1 4.38Å; L1567-V1576 HydrophobicContact CG-CG2 3.81Å
1568V95.3Very high92.2Very high0 Ų032.7 Ų32.70%016%0.163CC..EExtended strand (participates in β ladder)trans-94.8115.3179.5-177.40000109.7F1523 C1555 I1556 I1558 L1566 F1590 F1597 L1604F1523-V1568 WeakPolarHBondContact CZ-O 3.31Å; C1555-V1568 PolarHBondContact N-O 2.68Å; I1556-V1568 HydrophobicContact CG2-CB 3.57Å; I1556-V1568 HydrophobicContact CG2-CG1 4Å; I1556-V1568 HydrophobicContact CG2-CG2 3.8Å; I1556-V1568 PolarHBondContact N-O 2.78Å; I1556-V1568 WeakPolarHBondContact O-CA 3.34Å; I1556-V1568 VanDerWaalsContact O-CB 3.29Å; I1556-V1568 WeakPolarHBondContact O-CB 3.42Å; I1556-V1568 PolarHBondContact O-N 2.93Å; I1558-V1568 HydrophobicContact CD1-CG2 4.16Å; L1566-V1568 HydrophobicContact CD1-CG2 4.43Å; L1566-V1568 HydrophobicContact CD2-CG2 4.22Å; L1566-V1568 HydrophobicContact CG-CG2 3.91Å; V1568-F1590 HydrophobicContact CG1-CE2 4.37Å; V1568-F1590 HydrophobicContact CG1-CZ 3.97Å; V1568-F1597 HydrophobicContact CG1-CD1 3.64Å; V1568-F1597 HydrophobicContact CG1-CE1 3.33Å; V1568-F1597 HydrophobicContact CG1-CE2 4.36Å; V1568-F1597 HydrophobicContact CG1-CG 4.27Å; V1568-F1597 HydrophobicContact CG1-CZ 3.71Å; V1568-L1604 HydrophobicContact CG2-CD2 3.81Å
1569F94Very high92Very high0 Ų037.7 Ų37.70%019%0.19CC..EExtended strand (participates in β ladder)trans-103.1165.7169.3-56.7-88.1000109.4F1523 M1547 D1553 A1554 L1567 K1571 L1572 I1574 F1590F1523-F1569 AromaticContact CD2-CE1 3.79Å; F1523-F1569 HydrophobicContact CD2-CE1 3.79Å; F1523-F1569 HydrophobicContact CD2-CE2 4.39Å; F1523-F1569 AromaticContact CD2-CZ 3.64Å; F1523-F1569 HydrophobicContact CD2-CZ 3.64Å; F1523-F1569 HydrophobicContact CE2-CD1 4.1Å; F1523-F1569 AromaticContact CE2-CE1 3.66Å; F1523-F1569 HydrophobicContact CE2-CE1 3.66Å; F1523-F1569 HydrophobicContact CE2-CE2 4.2Å; F1523-F1569 AromaticContact CE2-CZ 3.73Å; F1523-F1569 HydrophobicContact CE2-CZ 3.73Å; M1547-F1569 HydrophobicContact CE-CD1 3.82Å; M1547-F1569 HydrophobicContact CE-CD2 3.83Å; M1547-F1569 HydrophobicContact CE-CE1 3.62Å; M1547-F1569 HydrophobicContact CE-CE2 3.62Å; M1547-F1569 HydrophobicContact CE-CG 3.93Å; M1547-F1569 HydrophobicContact CE-CZ 3.51Å; D1553-F1569 CarbonylContact O-C 3.54Å; D1553-F1569 WeakPolarHBondContact O-CA 3.41Å; D1553-F1569 WeakPolarHBondContact O-CB 3.38Å; A1554-F1569 HydrophobicContact CB-CD1 3.96Å; A1554-F1569 HydrophobicContact CB-CE1 3.98Å; L1567-F1569 HydrophobicContact CB-CD2 4.48Å; L1567-F1569 HydrophobicContact CB-CE2 3.7Å; L1567-F1569 HydrophobicContact CB-CZ 4.17Å; L1567-F1569 HydrophobicContact CD1-CE2 4.47Å; L1567-F1569 HydrophobicContact CD1-CZ 4.38Å; F1569-K1571 PolarHBondContact O-N 2.89Å; F1569-L1572 PolarHBondContact N-O 2.91Å; F1569-L1572 PolarHBondContact O-N 2.84Å; F1569-L1572 VanDerWaalsContact O-O 3.13Å; F1569-I1574 HydrophobicContact CD2-CG1 4.45Å; F1569-I1574 HydrophobicContact CE2-CD1 4.14Å; F1569-I1574 HydrophobicContact CE2-CG1 4.27Å; F1569-F1590 WeakPolarHBondContact O-CE2 3.31Å
1570E91.5Very high91.8Very high53 Ų5334.4 Ų34.425%0.24818%0.175CC..THydrogen-bonded Turntrans-49.5-33.5179.347.3163.1-150.300114.5Y1552 D1553 C1555 P1594Y1552-E1570 WeakPolarHBondContact CA-OE1 3.28Å; D1553-E1570 HydrophobicContact CB-CB 4.44Å; D1553-E1570 HydrophobicContact CB-CG 4.07Å; D1553-E1570 PolarHBondContact O-N 2.88Å; C1555-E1570 PolarHBondContact SG-N 3.36Å; C1555-E1570 VanDerWaalsContact SG-N 3.39Å; E1570-P1594 VanDerWaalsContact O-CD 3.23Å; E1570-P1594 WeakPolarHBondContact O-CD 3.33Å; E1570-P1594 WeakPolarHBondContact O-CG 3.5Å
1571K90.7Very high91.9Very high62 Ų6239.2 Ų39.227%0.2719%0.19SC..THydrogen-bonded Turntrans-104.2-19.8-172.5-42.9-144.6-174.9-153.80115L1152 T1153 Y1552 F1569L1152-K1571 HydrophobicContact CB-CB 4.31Å; T1153-K1571 HydrophobicContact CG2-CB 3.87Å; Y1552-K1571 HydrophobicContact CD1-CD 3.89Å; Y1552-K1571 HydrophobicContact CD1-CG 3.82Å; Y1552-K1571 HydrophobicContact CD2-CB 4.31Å; Y1552-K1571 HydrophobicContact CD2-CG 4.38Å; Y1552-K1571 HydrophobicContact CE1-CB 4.46Å; Y1552-K1571 HydrophobicContact CE1-CD 3.63Å; Y1552-K1571 HydrophobicContact CE1-CG 3.93Å; Y1552-K1571 HydrophobicContact CE2-CB 4.19Å; Y1552-K1571 HydrophobicContact CE2-CG 4.45Å; Y1552-K1571 HydrophobicContact CG-CG 4.1Å; F1569-K1571 PolarHBondContact O-N 2.89Å
1572L92.6Very high92Very high0 Ų038.8 Ų38.80%018%0.181CC..EExtended strand (participates in β ladder)trans-167.7161.6-175.765.494.7000112.3T1153 F1546 Y1552 F1569 I1574 L1588 M1589T1153-L1572 HydrophobicContact CG2-CD2 3.55Å; F1546-L1572 HydrophobicContact CE2-CD2 4.2Å; F1546-L1572 HydrophobicContact CZ-CD2 4.33Å; Y1552-L1572 HydrophobicContact CD2-CD2 4.41Å; Y1552-L1572 HydrophobicContact CE2-CD2 3.83Å; F1569-L1572 PolarHBondContact N-O 2.91Å; F1569-L1572 PolarHBondContact O-N 2.84Å; F1569-L1572 VanDerWaalsContact O-O 3.13Å; L1572-I1574 HydrophobicContact CD1-CB 4.48Å; L1572-I1574 HydrophobicContact CD1-CD1 3.89Å; L1572-I1574 HydrophobicContact CD1-CG1 3.2Å; L1572-L1588 CarbonylContact C-O 3.49Å; L1572-L1588 VanDerWaalsContact CA-O 3.28Å; L1572-L1588 WeakPolarHBondContact CA-O 3.49Å; L1572-M1589 HydrophobicContact CB-SD 4.42Å
1573G93.9Very high92.4Very high0 Ų036 Ų360%017%0.17CC..EExtended strand (participates in β ladder)trans-106.8130.6166.800000113.4L1567 E1587 L1588L1567-G1573 CarbonylContact O-C 3.57Å; L1567-G1573 VanDerWaalsContact O-CA 3.31Å; L1567-G1573 WeakPolarHBondContact O-CA 3.47Å; G1573-E1587 CarbonylContact O-C 3.59Å; G1573-E1587 WeakPolarHBondContact O-CA 3.3Å; G1573-L1588 PolarHBondContact N-O 2.72Å; G1573-L1588 PolarHBondContact O-N 2.93Å
1574I93.6Very high92.4Very high0 Ų031.3 Ų31.30%015%0.148CC..EExtended strand (participates in β ladder)trans-105.6128.4175.2-49.5-175.1000109.9L1537 L1544 F1546 M1547 L1566 L1567 F1569 L1572 V1576L1537-I1574 HydrophobicContact CD1-CD1 4.15Å; L1544-I1574 HydrophobicContact CD2-CD1 3.98Å; L1544-I1574 HydrophobicContact CD2-CG2 3.73Å; F1546-I1574 HydrophobicContact CZ-CD1 4.11Å; M1547-I1574 HydrophobicContact CG-CD1 4.08Å; M1547-I1574 HydrophobicContact SD-CD1 3.99Å; L1566-I1574 WeakPolarHBondContact CA-O 3.44Å; L1567-I1574 PolarHBondContact N-O 3.22Å; L1567-I1574 PolarHBondContact O-N 3.4Å; F1569-I1574 HydrophobicContact CD2-CG1 4.45Å; F1569-I1574 HydrophobicContact CE2-CD1 4.14Å; F1569-I1574 HydrophobicContact CE2-CG1 4.27Å; L1572-I1574 HydrophobicContact CD1-CB 4.48Å; L1572-I1574 HydrophobicContact CD1-CD1 3.89Å; L1572-I1574 HydrophobicContact CD1-CG1 3.2Å; I1574-V1576 HydrophobicContact CB-CG1 4.49Å; I1574-V1576 HydrophobicContact CG2-CG1 3.83Å
1575Y95.6Very high92Very high1 Ų134.7 Ų34.70%0.00417%0.171CC..EExtended strand (participates in β ladder)trans-83.8124.5166.2-65.5-94.4000110.4V1560 E1564 Y1565 L1566 S1583 R1584 L1586 L1588 V1617 A1620V1560-Y1575 HydrophobicContact CG1-CE1 4.28Å; V1560-Y1575 HydrophobicContact CG2-CD1 4.18Å; V1560-Y1575 HydrophobicContact CG2-CE1 3.95Å; E1564-Y1575 HydrophobicContact CG-CD1 4.26Å; Y1565-Y1575 WeakPolarHBondContact O-CA 3.38Å; L1566-Y1575 HydrophobicContact CB-CD1 4.2Å; L1566-Y1575 HydrophobicContact CB-CE1 4.16Å; L1566-Y1575 HydrophobicContact CD1-CD1 4.39Å; L1566-Y1575 HydrophobicContact CD1-CD2 4.16Å; L1566-Y1575 HydrophobicContact CD1-CE1 4.27Å; L1566-Y1575 HydrophobicContact CD1-CE2 4.03Å; L1566-Y1575 HydrophobicContact CD1-CG 4.34Å; L1566-Y1575 HydrophobicContact CD2-CE1 4.47Å; Y1575-S1583 WeakPolarHBondContact CB-OG 3.35Å; Y1575-S1583 PolarHBondContact O-N 3.37Å; Y1575-S1583 PolarHBondContact O-OG 3.33Å; Y1575-R1584 HydrophobicContact CD1-CG 4.32Å; Y1575-R1584 HydrophobicContact CD2-CB 4.26Å; Y1575-R1584 HydrophobicContact CD2-CG 4.34Å; Y1575-R1584 HydrophobicContact CG-CB 4.19Å; Y1575-R1584 HydrophobicContact CG-CG 3.89Å; Y1575-L1586 WeakPolarHBondContact CD2-O 3.39Å; Y1575-L1588 HydrophobicContact CE2-CD2 4.08Å; Y1575-L1588 HydrophobicContact CE2-CG 3.9Å; Y1575-V1617 VanDerWaalsContact CE1-O 3.22Å; Y1575-V1617 WeakPolarHBondContact CE1-O 3.31Å; Y1575-V1617 PolarHBondContact OH-O 3.27Å; Y1575-A1620 HydrophobicContact CE2-CB 3.97Å; Y1575-A1620 WeakPolarHBondContact OH-CB 3.47Å
1576V94.5Very high91.5Very high0 Ų036.5 Ų36.50%018%0.182CC..EExtended strand (participates in β ladder)trans-126.6149.8-179.6-59.60000111.7E1564 Y1565 L1567 I1574 R1581 S1583E1564-V1576 WeakPolarHBondContact CA-O 3.49Å; Y1565-V1576 PolarHBondContact N-O 2.72Å; Y1565-V1576 PolarHBondContact O-N 2.82Å; L1567-V1576 HydrophobicContact CD1-CG1 4.04Å; L1567-V1576 HydrophobicContact CD1-CG2 3.94Å; L1567-V1576 HydrophobicContact CD2-CG2 4.29Å; L1567-V1576 HydrophobicContact CG-CG1 4.38Å; L1567-V1576 HydrophobicContact CG-CG2 3.81Å; I1574-V1576 HydrophobicContact CB-CG1 4.49Å; I1574-V1576 HydrophobicContact CG2-CG1 3.83Å; V1576-R1581 CarbonylContact C-O 3.48Å; V1576-R1581 WeakPolarHBondContact CA-O 3.42Å; V1576-S1583 PolarHBondContact N-OG 2.87Å
1577D92.5Very high91.2Very high40 Ų4037.1 Ų37.121%0.21419%0.185CC..EExtended strand (participates in β ladder)trans-77.3177.416980.8-13.9000111.8K1563 N1579 G1580 R1581K1563-D1577 WeakPolarHBondContact O-CA 3.31Å; D1577-N1579 PolarHBondContact O-N 2.64Å; D1577-N1579 VanDerWaalsContact O-N 3.09Å; D1577-N1579 VanDerWaalsContact OD1-C 3.27Å; D1577-N1579 VanDerWaalsContact OD1-CA 3.27Å; D1577-N1579 WeakPolarHBondContact OD1-CA 3.17Å; D1577-N1579 VanDerWaalsContact OD1-CB 3.31Å; D1577-N1579 WeakPolarHBondContact OD1-CB 3.4Å; D1577-N1579 PolarHBondContact OD1-N 3.05Å; D1577-N1579 PolarHBondContact OD2-ND2 3.31Å; D1577-G1580 PolarHBondContact O-N 3.33Å; D1577-G1580 PolarHBondContact OD1-N 3.04Å; D1577-R1581 PolarHBondContact N-O 3.03Å; D1577-R1581 PolarHBondContact OD1-N 3.3Å
1578L88.5Confident91Very high83 Ų8337.2 Ų37.244%0.43519%0.185SC..THydrogen-bonded Turntrans-61.6-15.2176.1-56.1-178000114.1K1563 Y1565K1563-L1578 PolarHBondContact O-N 3.14Å; Y1565-L1578 HydrophobicContact CD2-CD2 4.25Å; Y1565-L1578 HydrophobicContact CE2-CD2 3.51Å
1579N89.6Confident90.8Very high108 Ų10838.7 Ų38.758%0.57819%0.192SC*.THydrogen-bonded Turntrans-95.63.9177.1-48.5-73.9000112.4N1538 D1577 R1581N1538-N1579 WeakPolarHBondContact CB-O 3.26Å; D1577-N1579 PolarHBondContact O-N 2.64Å; D1577-N1579 VanDerWaalsContact O-N 3.09Å; D1577-N1579 VanDerWaalsContact OD1-C 3.27Å; D1577-N1579 VanDerWaalsContact OD1-CA 3.27Å; D1577-N1579 WeakPolarHBondContact OD1-CA 3.17Å; D1577-N1579 VanDerWaalsContact OD1-CB 3.31Å; D1577-N1579 WeakPolarHBondContact OD1-CB 3.4Å; D1577-N1579 PolarHBondContact OD1-N 3.05Å; D1577-N1579 PolarHBondContact OD2-ND2 3.31Å; N1579-R1581 VanDerWaalsContact C-N 3.26Å; N1579-R1581 PolarHBondContact O-N 3.05Å
1580G88.1Confident90.7Very high0 Ų038.7 Ų38.70%019%0.192CC..SBendtrans72.510.1-176.800000115.2L1536 N1538 L1544 D1577L1536-G1580 VanDerWaalsContact C-CA 3.5Å; L1536-G1580 WeakPolarHBondContact O-CA 2.83Å; N1538-G1580 WeakPolarHBondContact CB-O 3.29Å; N1538-G1580 PolarHBondContact N-O 3.34Å; L1544-G1580 WeakPolarHBondContact CD1-O 3.25Å; D1577-G1580 PolarHBondContact O-N 3.33Å; D1577-G1580 PolarHBondContact OD1-N 3.04Å
1581R90.9Very high90.8Very high122 Ų12236.3 Ų36.346%0.4618%0.181SC..SBendtrans-86.2153.4176.4-65.6-179.5170.5-171.2-4.4109.8N1538 E1540 V1576 D1577 N1579 S1583N1538-R1581 HydrophobicContact CB-CG 3.85Å; N1538-R1581 PolarHBondContact ND2-NE 3.14Å; E1540-R1581 IonicContact OE2-NH2 2.76Å; E1540-R1581 PolarHBondContact OE2-NH2 2.84Å; V1576-R1581 CarbonylContact C-O 3.48Å; V1576-R1581 WeakPolarHBondContact CA-O 3.42Å; D1577-R1581 PolarHBondContact N-O 3.03Å; D1577-R1581 PolarHBondContact OD1-N 3.3Å; N1579-R1581 VanDerWaalsContact C-N 3.26Å; N1579-R1581 PolarHBondContact O-N 3.05Å; R1581-S1583 PolarHBondContact O-N 3.37Å; R1581-S1583 VanDerWaalsContact O-N 3.17Å
1582R91.7Very high90.9Very high46 Ų4633.7 Ų33.717%0.17417%0.171CC..BIsolated β-bridgetrans-62.8117.6-177.3-179.6-175.5-69-107.42.1111.1D1541 S1543 L1544 R1584 P1585 E1587D1541-R1582 WeakPolarHBondContact OD2-CB 3.3Å; D1541-R1582 PolarHBondContact OD2-N 2.88Å; S1543-R1582 PolarHBondContact O-NH2 3Å; S1543-R1582 WeakPolarHBondContact OG-CB 3.46Å; S1543-R1582 WeakPolarHBondContact OG-CD 3.45Å; S1543-R1582 PolarHBondContact OG-NE 3.43Å; L1544-R1582 HydrophobicContact CD1-CB 4.39Å; L1544-R1582 HydrophobicContact CD2-CB 4.19Å; L1544-R1582 HydrophobicContact CG-CB 4.32Å; R1582-R1584 VanDerWaalsContact CD-O 3.28Å; R1582-R1584 WeakPolarHBondContact CD-O 3.45Å; R1582-R1584 WeakPolarHBondContact CG-O 3.33Å; R1582-P1585 PolarHBondContact NH1-O 3.21Å; R1582-E1587 IonicContact CZ-OE1 3.09Å; R1582-E1587 VanDerWaalsContact CZ-OE1 3.22Å; R1582-E1587 VanDerWaalsContact NH1-CG 3.3Å; R1582-E1587 IonicContact NH1-OE1 2.71Å; R1582-E1587 PolarHBondContact NH1-OE1 3.45Å; R1582-E1587 IonicContact NH2-OE1 3.29Å; R1582-E1587 PolarHBondContact NH2-OE1 3.09Å
1583S92.9Very high90.8Very high49 Ų4938.9 Ų38.934%0.34320%0.195SC..  trans-86.2-32.4177.962.10000113E1564 Y1575 V1576 R1581E1564-S1583 WeakPolarHBondContact OE1-CB 3.25Å; E1564-S1583 PolarHBondContact OE1-OG 3.22Å; Y1575-S1583 WeakPolarHBondContact CB-OG 3.35Å; Y1575-S1583 PolarHBondContact O-N 3.37Å; Y1575-S1583 PolarHBondContact O-OG 3.33Å; V1576-S1583 PolarHBondContact N-OG 2.87Å; R1581-S1583 PolarHBondContact O-N 3.37Å; R1581-S1583 VanDerWaalsContact O-N 3.17Å
1584R89.2Confident90.8Very high56 Ų5639.8 Ų39.821%0.21120%0.201CC..  trans-121.9141.3178.4-51.3-173-174.5-159.2-1.6112E1564 Y1575 R1582 L1586 T1618E1564-R1584 VanDerWaalsContact CD-NE 3.3Å; E1564-R1584 WeakPolarHBondContact OE1-CG 3.44Å; E1564-R1584 IonicContact OE1-CZ 3.18Å; E1564-R1584 IonicContact OE1-NE 2.72Å; E1564-R1584 PolarHBondContact OE1-NE 2.91Å; E1564-R1584 IonicContact OE1-NH2 2.87Å; E1564-R1584 IonicContact OE2-CZ 2.93Å; E1564-R1584 VanDerWaalsContact OE2-CZ 3.25Å; E1564-R1584 IonicContact OE2-NE 2.78Å; E1564-R1584 PolarHBondContact OE2-NE 2.95Å; E1564-R1584 IonicContact OE2-NH2 2.68Å; E1564-R1584 PolarHBondContact OE2-NH2 3.23Å; Y1575-R1584 HydrophobicContact CD1-CG 4.32Å; Y1575-R1584 HydrophobicContact CD2-CB 4.26Å; Y1575-R1584 HydrophobicContact CD2-CG 4.34Å; Y1575-R1584 HydrophobicContact CG-CB 4.19Å; Y1575-R1584 HydrophobicContact CG-CG 3.89Å; R1582-R1584 VanDerWaalsContact CD-O 3.28Å; R1582-R1584 WeakPolarHBondContact CD-O 3.45Å; R1582-R1584 WeakPolarHBondContact CG-O 3.33Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.15Å; R1584-T1618 PolarHBondContact NH1-O 3.18Å; R1584-T1618 PolarHBondContact NH2-O 3.14Å; R1584-T1618 VanDerWaalsContact NH2-O 3.12Å
1585P82.5Confident90.7Very high91 Ų9144.1 Ų44.159%0.59122%0.223SC*.SBendtrans-67.3-30.9173.628.1-34.3000112.2V1168 R1582V1168-P1585 HydrophobicContact CG1-CB 4.19Å; R1582-P1585 PolarHBondContact NH1-O 3.21Å
1586L84.2Confident90.6Very high55 Ų5547.1 Ų47.129%0.28824%0.237SC..PPolyproline II helixtrans-80.1124.4179.1-17958.9000111I1169 Y1575 R1584 A1620I1169-L1586 HydrophobicContact CG2-CB 4.48Å; I1169-L1586 HydrophobicContact CG2-CD1 4.26Å; I1169-L1586 HydrophobicContact CG2-CD2 4.39Å; Y1575-L1586 WeakPolarHBondContact CD2-O 3.39Å; R1584-L1586 VanDerWaalsContact C-N 3.28Å; R1584-L1586 PolarHBondContact O-N 3.15Å; L1586-A1620 HydrophobicContact CD2-CB 3.83Å; L1586-A1620 HydrophobicContact CG-CB 4.43Å
1587E87.8Confident90.7Very high13 Ų1348.7 Ų48.76%0.06124%0.244CC..PPolyproline II helixtrans-88.8150.5168.1-68164.1-143.600108.7R1154 G1573 R1582 M1589R1154-E1587 WeakPolarHBondContact CD-OE2 3.4Å; R1154-E1587 IonicContact CZ-OE1 2.66Å; R1154-E1587 IonicContact NE-OE1 3.94Å; R1154-E1587 PolarHBondContact NE-OE1 3Å; R1154-E1587 VanDerWaalsContact NE-OE1 3.12Å; R1154-E1587 IonicContact NE-OE2 3.73Å; R1154-E1587 PolarHBondContact NE-OE2 3.32Å; R1154-E1587 IonicContact NH2-OE1 3.29Å; R1154-E1587 PolarHBondContact NH2-OE1 3.23Å; R1154-E1587 VanDerWaalsContact NH2-OE1 3.12Å; G1573-E1587 CarbonylContact O-C 3.59Å; G1573-E1587 WeakPolarHBondContact O-CA 3.3Å; R1582-E1587 IonicContact CZ-OE1 3.09Å; R1582-E1587 VanDerWaalsContact CZ-OE1 3.22Å; R1582-E1587 VanDerWaalsContact NH1-CG 3.3Å; R1582-E1587 IonicContact NH1-OE1 2.71Å; R1582-E1587 PolarHBondContact NH1-OE1 3.45Å; R1582-E1587 IonicContact NH2-OE1 3.29Å; R1582-E1587 PolarHBondContact NH2-OE1 3.09Å; E1587-M1589 HydrophobicContact CB-SD 3.46Å; E1587-M1589 WeakPolarHBondContact CB-SD 3.27Å; E1587-M1589 WeakPolarHBondContact O-CG 3.36Å; E1587-M1589 PolarHBondContact O-N 3.03Å
1588L91.4Very high90.8Very high3 Ų346.8 Ų46.82%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-77.2118.7166.8-69.4-169.6000109.1L1566 L1572 G1573 Y1575 F1590 L1604 Y1615 A1620L1566-L1588 HydrophobicContact CD1-CD1 4.01Å; L1566-L1588 HydrophobicContact CD1-CG 4.19Å; L1566-L1588 HydrophobicContact CD2-CD1 3.56Å; L1566-L1588 HydrophobicContact CG-CD1 4.41Å; L1572-L1588 CarbonylContact C-O 3.49Å; L1572-L1588 VanDerWaalsContact CA-O 3.28Å; L1572-L1588 WeakPolarHBondContact CA-O 3.49Å; G1573-L1588 PolarHBondContact N-O 2.72Å; G1573-L1588 PolarHBondContact O-N 2.93Å; Y1575-L1588 HydrophobicContact CE2-CD2 4.08Å; Y1575-L1588 HydrophobicContact CE2-CG 3.9Å; L1588-F1590 HydrophobicContact CB-CE1 4.16Å; L1588-L1604 HydrophobicContact CD1-CD2 3.81Å; L1588-Y1615 HydrophobicContact CD2-CD1 4.03Å; L1588-A1620 HydrophobicContact CD2-CB 3.88Å
1589M90.8Very high91Very high30 Ų3045.3 Ų45.315%0.14822%0.224CC..EExtended strand (participates in β ladder)trans-110.1114-172.5-50.2-54.3-83.200110.2I1150 T1153 R1154 L1572 E1587 Y1615I1150-M1589 VanDerWaalsContact O-CB 3.28Å; I1150-M1589 WeakPolarHBondContact O-CB 3.32Å; T1153-M1589 WeakPolarHBondContact O-CE 3.44Å; R1154-M1589 HydrophobicContact CB-CE 4.16Å; R1154-M1589 WeakPolarHBondContact O-CE 3.3Å; L1572-M1589 HydrophobicContact CB-SD 4.42Å; E1587-M1589 HydrophobicContact CB-SD 3.46Å; E1587-M1589 WeakPolarHBondContact CB-SD 3.27Å; E1587-M1589 WeakPolarHBondContact O-CG 3.36Å; E1587-M1589 PolarHBondContact O-N 3.03Å; M1589-Y1615 PolarHBondContact O-OH 3.25Å
1590F93Very high91Very high0 Ų041.9 Ų41.90%021%0.209CC..  trans-80.5134.8-179.8-46.7-44.8000110.4G1151 L1152 V1568 F1569 L1588 S1592 P1594 F1597 V1606 Y1615G1151-F1590 CarbonylContact C-O 3.54Å; G1151-F1590 VanDerWaalsContact CA-O 3.25Å; G1151-F1590 WeakPolarHBondContact CA-O 3.23Å; L1152-F1590 HydrophobicContact CD1-CB 4.4Å; L1152-F1590 PolarHBondContact N-O 2.89Å; V1568-F1590 HydrophobicContact CG1-CE2 4.37Å; V1568-F1590 HydrophobicContact CG1-CZ 3.97Å; F1569-F1590 WeakPolarHBondContact O-CE2 3.31Å; L1588-F1590 HydrophobicContact CB-CE1 4.16Å; F1590-S1592 VanDerWaalsContact C-N 3.32Å; F1590-P1594 HydrophobicContact CB-CG 4.18Å; F1590-P1594 HydrophobicContact CD2-CG 3.64Å; F1590-P1594 HydrophobicContact CE2-CG 4.37Å; F1590-P1594 HydrophobicContact CG-CG 4.02Å; F1590-F1597 HydrophobicContact CD2-CE1 4.42Å; F1590-F1597 HydrophobicContact CD2-CZ 4.44Å; F1590-F1597 HydrophobicContact CE1-CE1 4.34Å; F1590-F1597 AromaticContact CE2-CE1 3.79Å; F1590-F1597 HydrophobicContact CE2-CE1 3.79Å; F1590-F1597 AromaticContact CE2-CZ 3.92Å; F1590-F1597 HydrophobicContact CE2-CZ 3.92Å; F1590-F1597 AromaticContact CZ-CE1 3.78Å; F1590-F1597 HydrophobicContact CZ-CE1 3.78Å; F1590-F1597 HydrophobicContact CZ-CZ 4.36Å; F1590-V1606 HydrophobicContact CD1-CB 4.42Å; F1590-V1606 HydrophobicContact CD1-CG1 3.97Å; F1590-V1606 HydrophobicContact CD1-CG2 3.9Å; F1590-V1606 HydrophobicContact CE1-CG1 4.41Å; F1590-V1606 HydrophobicContact CE1-CG2 3.76Å; F1590-V1606 HydrophobicContact CG-CG1 4.11Å; F1590-Y1615 HydrophobicContact CD1-CE2 4.02Å; F1590-Y1615 HydrophobicContact CE1-CE2 4.37Å
1591P92.4Very high90.9Very high3 Ų345.3 Ų45.32%0.01924%0.237CC..SBendtrans-71.6-30.4177.728.1-34.5000112.6I1150 F1229 V1248 V1251 T1613 Y1615 W1622I1150-P1591 HydrophobicContact CG2-CB 3.93Å; F1229-P1591 HydrophobicContact CE1-CB 4.45Å; V1248-P1591 HydrophobicContact CB-CB 4.04Å; V1248-P1591 WeakPolarHBondContact CB-O 3.43Å; V1248-P1591 HydrophobicContact CG2-CB 3.74Å; V1248-P1591 VanDerWaalsContact CG2-O 3.29Å; V1248-P1591 WeakPolarHBondContact CG2-O 3.24Å; V1248-P1591 PolarHBondContact N-O 2.86Å; V1251-P1591 HydrophobicContact CG2-CB 4.09Å; V1251-P1591 HydrophobicContact CG2-CG 4.1Å; P1591-T1613 HydrophobicContact CG-CG2 3.86Å; P1591-Y1615 VanDerWaalsContact CD-OH 3.29Å; P1591-Y1615 WeakPolarHBondContact CD-OH 3.47Å; P1591-W1622 HydrophobicContact CB-CH2 4.04Å; P1591-W1622 HydrophobicContact CB-CZ3 4.29Å; P1591-W1622 HydrophobicContact CG-CH2 3.68Å; P1591-W1622 HydrophobicContact CG-CZ2 4.25Å; P1591-W1622 HydrophobicContact CG-CZ3 4.12Å
1592S93Very high91Very high7 Ų741.4 Ų41.45%0.04923%0.227CC..SBendtrans-136.2151.9-163.9-37.40000108.4V1248 F1590 P1594 H1611V1248-S1592 VanDerWaalsContact O-CB 3.22Å; V1248-S1592 WeakPolarHBondContact O-CB 3.49Å; V1248-S1592 PolarHBondContact O-OG 2.78Å; F1590-S1592 VanDerWaalsContact C-N 3.32Å; S1592-P1594 VanDerWaalsContact O-CD 3.27Å; S1592-P1594 WeakPolarHBondContact O-CD 3.22Å; S1592-H1611 PolarHBondContact OG-CE1 2.82Å; S1592-H1611 PolarHBondContact OG-NE2 3.24Å
1593E91.7Very high91Very high110 Ų11040 Ų4051%0.51422%0.222SC..  trans-61.5120.5179.6-166.5156.2-121.800111.5
1594P93.3Very high91.2Very high19 Ų1937.6 Ų37.612%0.12321%0.206CC..  trans-75.5126180-20.135.7000111.7E1570 F1590 S1592 F1597 V1606E1570-P1594 VanDerWaalsContact O-CD 3.23Å; E1570-P1594 WeakPolarHBondContact O-CD 3.33Å; E1570-P1594 WeakPolarHBondContact O-CG 3.5Å; F1590-P1594 HydrophobicContact CB-CG 4.18Å; F1590-P1594 HydrophobicContact CD2-CG 3.64Å; F1590-P1594 HydrophobicContact CE2-CG 4.37Å; F1590-P1594 HydrophobicContact CG-CG 4.02Å; S1592-P1594 VanDerWaalsContact O-CD 3.27Å; S1592-P1594 WeakPolarHBondContact O-CD 3.22Å; P1594-F1597 HydrophobicContact CB-CD2 4.47Å; P1594-F1597 HydrophobicContact CB-CE1 4Å; P1594-F1597 HydrophobicContact CB-CE2 3.65Å; P1594-F1597 HydrophobicContact CB-CZ 3.4Å; P1594-F1597 HydrophobicContact CG-CE1 4.15Å; P1594-F1597 HydrophobicContact CG-CE2 4.34Å; P1594-F1597 HydrophobicContact CG-CZ 3.63Å; P1594-V1606 HydrophobicContact CB-CG1 3.68Å; P1594-V1606 HydrophobicContact CG-CG1 3.62Å
1595I91.9Very high91.5Very high91 Ų9135 Ų3547%0.46720%0.196SC..SBendtrans-86-40.5169.7-51.4-178.8000109.4Y1607 E1609I1595-Y1607 PolarHBondContact N-O 3.38Å; I1595-E1609 HydrophobicContact CD1-CB 3.96Å; I1595-E1609 HydrophobicContact CD1-CG 4.33Å
1596H93.6Very high92.2Very high63 Ų6330.9 Ų30.929%0.29217%0.169SC..EExtended strand (participates in β ladder)trans-143.3163.2-178.9-57.1-52.2000112.4Y1607 P1633H1596-Y1607 HydrophobicContact CB-CD2 4.23Å; H1596-Y1607 HydrophobicContact CB-CG 4.22Å; H1596-Y1607 PolarHBondContact N-O 2.64Å; H1596-Y1607 WeakPolarHBondContact O-CD2 3.27Å; H1596-Y1607 PolarHBondContact O-N 3.16Å; H1596-P1633 VanDerWaalsContact CB-CD 3.49Å; H1596-P1633 HydrophobicContact CB-CG 3.87Å
1597F95.1Very high92.7Very high34 Ų3428.3 Ų28.315%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-132.5147.9173.9-63.3-91.4000109.7C1555 I1556 V1568 F1590 P1594 L1604 C1605 V1606C1555-F1597 HydrophobicContact CB-CD2 3.6Å; C1555-F1597 HydrophobicContact CB-CE2 3.6Å; C1555-F1597 HydrophobicContact CB-CG 4.44Å; C1555-F1597 HydrophobicContact CB-CZ 4.43Å; C1555-F1597 VanDerWaalsContact SG-CE2 3.54Å; I1556-F1597 HydrophobicContact CG2-CB 4.12Å; I1556-F1597 HydrophobicContact CG2-CG 4.49Å; V1568-F1597 HydrophobicContact CG1-CD1 3.64Å; V1568-F1597 HydrophobicContact CG1-CE1 3.33Å; V1568-F1597 HydrophobicContact CG1-CE2 4.36Å; V1568-F1597 HydrophobicContact CG1-CG 4.27Å; V1568-F1597 HydrophobicContact CG1-CZ 3.71Å; F1590-F1597 HydrophobicContact CD2-CE1 4.42Å; F1590-F1597 HydrophobicContact CD2-CZ 4.44Å; F1590-F1597 HydrophobicContact CE1-CE1 4.34Å; F1590-F1597 AromaticContact CE2-CE1 3.79Å; F1590-F1597 HydrophobicContact CE2-CE1 3.79Å; F1590-F1597 AromaticContact CE2-CZ 3.92Å; F1590-F1597 HydrophobicContact CE2-CZ 3.92Å; F1590-F1597 AromaticContact CZ-CE1 3.78Å; F1590-F1597 HydrophobicContact CZ-CE1 3.78Å; F1590-F1597 HydrophobicContact CZ-CZ 4.36Å; P1594-F1597 HydrophobicContact CB-CD2 4.47Å; P1594-F1597 HydrophobicContact CB-CE1 4Å; P1594-F1597 HydrophobicContact CB-CE2 3.65Å; P1594-F1597 HydrophobicContact CB-CZ 3.4Å; P1594-F1597 HydrophobicContact CG-CE1 4.15Å; P1594-F1597 HydrophobicContact CG-CE2 4.34Å; P1594-F1597 HydrophobicContact CG-CZ 3.63Å; F1597-L1604 HydrophobicContact CB-CD1 4.46Å; F1597-L1604 HydrophobicContact CD1-CD1 4.16Å; F1597-C1605 WeakPolarHBondContact CA-O 3.43Å; F1597-V1606 HydrophobicContact CD1-CB 4.33Å; F1597-V1606 HydrophobicContact CD1-CG1 4.04Å; F1597-V1606 HydrophobicContact CD1-CG2 3.94Å; F1597-V1606 HydrophobicContact CE1-CB 4.34Å; F1597-V1606 HydrophobicContact CE1-CG1 3.66Å; F1597-V1606 HydrophobicContact CE1-CG2 3.98Å; F1597-V1606 HydrophobicContact CZ-CG1 4.37Å
1598S94.4Very high93Very high0 Ų028 Ų280%016%0.155CC..EExtended strand (participates in β ladder)trans-145.4157167.383.40000110.5L1604 C1605 Y1607 R1636 S1637 G1638S1598-L1604 WeakPolarHBondContact O-CD1 3.44Å; S1598-C1605 PolarHBondContact N-O 3.37Å; S1598-C1605 PolarHBondContact O-N 3.04Å; S1598-C1605 WeakPolarHBondContact OG-CB 3.09Å; S1598-Y1607 WeakPolarHBondContact OG-CE2 3.42Å; S1598-Y1607 PolarHBondContact OG-OH 3.35Å; S1598-R1636 WeakPolarHBondContact CA-O 3.43Å; S1598-R1636 WeakPolarHBondContact CB-O 3.44Å; S1598-S1637 VanDerWaalsContact CB-C 3.47Å; S1598-S1637 WeakPolarHBondContact CB-O 3.37Å; S1598-S1637 PolarHBondContact OG-O 3.27Å; S1598-G1638 VanDerWaalsContact OG-CA 3.26Å; S1598-G1638 WeakPolarHBondContact OG-CA 3.39Å; S1598-G1638 PolarHBondContact OG-N 2.63Å
1599F93.8Very high93Very high51 Ų5132.9 Ų32.922%0.22418%0.178CC..EExtended strand (participates in β ladder)trans-135.9118.3-178.1178.4-110.7000112.1I1556 I1558 A1601 Y1603 L1604 V1617 R1636 S1637I1556-F1599 HydrophobicContact CD1-CB 4.19Å; I1558-F1599 HydrophobicContact CD1-CB 4.03Å; I1558-F1599 HydrophobicContact CD1-CD2 3.65Å; I1558-F1599 HydrophobicContact CD1-CE2 4.28Å; I1558-F1599 HydrophobicContact CD1-CG 3.84Å; I1558-F1599 HydrophobicContact CG1-CB 4.2Å; I1558-F1599 HydrophobicContact CG1-CD1 4.17Å; I1558-F1599 HydrophobicContact CG1-CD2 4.07Å; I1558-F1599 HydrophobicContact CG1-CG 3.88Å; I1558-F1599 HydrophobicContact CG2-CD1 4.22Å; I1558-F1599 HydrophobicContact CG2-CD2 4.08Å; I1558-F1599 HydrophobicContact CG2-CE1 3.81Å; I1558-F1599 HydrophobicContact CG2-CE2 3.68Å; I1558-F1599 HydrophobicContact CG2-CG 4.35Å; I1558-F1599 HydrophobicContact CG2-CZ 3.51Å; F1599-A1601 HydrophobicContact CE1-CB 3.77Å; F1599-A1601 HydrophobicContact CE2-CB 4.41Å; F1599-A1601 HydrophobicContact CZ-CB 3.57Å; F1599-Y1603 WeakPolarHBondContact CA-O 3.37Å; F1599-Y1603 VanDerWaalsContact CD2-O 3.23Å; F1599-Y1603 WeakPolarHBondContact CD2-O 3.41Å; F1599-L1604 HydrophobicContact CD2-CB 4.3Å; F1599-V1617 HydrophobicContact CD2-CG1 4.21Å; F1599-V1617 HydrophobicContact CE2-CB 4.41Å; F1599-V1617 HydrophobicContact CE2-CG1 3.76Å; F1599-V1617 HydrophobicContact CE2-CG2 3.74Å; F1599-V1617 HydrophobicContact CZ-CG2 4.07Å; F1599-R1636 PolarHBondContact N-O 2.8Å; F1599-S1637 WeakPolarHBondContact O-CA 3.48Å
1600S89.8Confident92.9Very high36 Ų3633 Ų3325%0.25218%0.181SC..EExtended strand (participates in β ladder)trans-123.9101.6171.5-172.50000106.8Y1603S1600-Y1603 PolarHBondContact N-O 2.76Å; S1600-Y1603 WeakPolarHBondContact O-CA 3.47Å; S1600-Y1603 WeakPolarHBondContact O-CB 3.45Å; S1600-Y1603 PolarHBondContact O-N 2.75Å
1601A86.6Confident93Very high73 Ų7333 Ų3360%0.60318%0.181SC*.THydrogen-bonded Turntrans-55.4131.1-165.700000112.6F1599F1599-A1601 HydrophobicContact CE1-CB 3.77Å; F1599-A1601 HydrophobicContact CE2-CB 4.41Å; F1599-A1601 HydrophobicContact CZ-CB 3.57Å
1602P91.2Very high93.1Very high39 Ų3932.9 Ų32.925%0.25318%0.18SC..THydrogen-bonded Turncis-91.511.910.237.8-38.3000115.1N1616 V1617P1602-N1616 WeakPolarHBondContact O-CA 3.32Å; P1602-V1617 PolarHBondContact O-N 3.34Å
1603Y93.7Very high93.2Very high16 Ų1632.7 Ų32.76%0.06318%0.179CC..EExtended strand (participates in β ladder)trans-100.2122.5-167.7-55.6-64.5000114.1A1336 F1337 F1599 S1600 V1614 Y1615 N1616 V1623 D1656A1336-Y1603 HydrophobicContact CB-CD1 3.83Å; A1336-Y1603 HydrophobicContact CB-CD2 3.91Å; A1336-Y1603 HydrophobicContact CB-CE1 3.62Å; A1336-Y1603 HydrophobicContact CB-CE2 3.7Å; A1336-Y1603 HydrophobicContact CB-CG 3.97Å; F1337-Y1603 HydrophobicContact CE2-CD2 4.16Å; F1337-Y1603 HydrophobicContact CE2-CG 4.14Å; F1337-Y1603 AromaticContact CZ-CD2 3.91Å; F1337-Y1603 HydrophobicContact CZ-CD2 3.91Å; F1337-Y1603 HydrophobicContact CZ-CG 4.23Å; F1599-Y1603 WeakPolarHBondContact CA-O 3.37Å; F1599-Y1603 VanDerWaalsContact CD2-O 3.23Å; F1599-Y1603 WeakPolarHBondContact CD2-O 3.41Å; S1600-Y1603 PolarHBondContact N-O 2.76Å; S1600-Y1603 WeakPolarHBondContact O-CA 3.47Å; S1600-Y1603 WeakPolarHBondContact O-CB 3.45Å; S1600-Y1603 PolarHBondContact O-N 2.75Å; Y1603-V1614 HydrophobicContact CD1-CG1 3.94Å; Y1603-V1614 HydrophobicContact CG-CG1 4.08Å; Y1603-Y1615 CarbonylContact C-O 3.51Å; Y1603-Y1615 WeakPolarHBondContact CA-O 3.21Å; Y1603-N1616 HydrophobicContact CD1-CB 4.39Å; Y1603-N1616 HydrophobicContact CE1-CB 4.39Å; Y1603-V1623 HydrophobicContact CD1-CG2 4.34Å; Y1603-V1623 HydrophobicContact CE1-CG1 4.11Å; Y1603-V1623 HydrophobicContact CE1-CG2 4.1Å; Y1603-D1656 WeakPolarHBondContact CD2-OD2 3.36Å; Y1603-D1656 WeakPolarHBondContact CE2-OD2 3.39Å
1604L95.5Very high93.4Very high0 Ų027.5 Ų27.50%016%0.155CC..EExtended strand (participates in β ladder)trans-91.5117.7164.3169.557.6000109.2I1558 L1566 V1568 L1588 F1597 S1598 F1599 V1606 V1614 Y1615 V1617I1558-L1604 HydrophobicContact CD1-CB 4.18Å; I1558-L1604 HydrophobicContact CD1-CD1 3.9Å; I1558-L1604 HydrophobicContact CD1-CD2 4.09Å; I1558-L1604 HydrophobicContact CD1-CG 4.27Å; L1566-L1604 HydrophobicContact CD2-CD2 4.16Å; V1568-L1604 HydrophobicContact CG2-CD2 3.81Å; L1588-L1604 HydrophobicContact CD1-CD2 3.81Å; F1597-L1604 HydrophobicContact CB-CD1 4.46Å; F1597-L1604 HydrophobicContact CD1-CD1 4.16Å; S1598-L1604 WeakPolarHBondContact O-CD1 3.44Å; F1599-L1604 HydrophobicContact CD2-CB 4.3Å; L1604-V1606 HydrophobicContact CD1-CG2 4.39Å; L1604-V1606 HydrophobicContact CD2-CG2 4.31Å; L1604-V1606 HydrophobicContact CG-CG2 3.95Å; L1604-V1614 WeakPolarHBondContact O-CA 3.34Å; L1604-Y1615 PolarHBondContact N-O 2.9Å; L1604-Y1615 PolarHBondContact O-N 2.9Å; L1604-V1617 HydrophobicContact CB-CG1 3.59Å
1605C96.6Very high93.4Very high1 Ų127 Ų271%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-96.3123.6173-67.10000109.8F1337 F1597 S1598 Y1607 V1612 T1613F1337-C1605 VanDerWaalsContact CE2-SG 3.54Å; F1597-C1605 WeakPolarHBondContact CA-O 3.43Å; S1598-C1605 PolarHBondContact N-O 3.37Å; S1598-C1605 PolarHBondContact O-N 3.04Å; S1598-C1605 WeakPolarHBondContact OG-CB 3.09Å; C1605-Y1607 HydrophobicContact CB-CD2 4.41Å; C1605-Y1607 HydrophobicContact CB-CE2 3.58Å; C1605-Y1607 WeakPolarHBondContact O-CD2 3.49Å; C1605-Y1607 WeakPolarHBondContact O-CE2 3.33Å; C1605-V1612 HydrophobicContact CB-CG1 3.8Å; C1605-T1613 WeakPolarHBondContact CA-O 3.36Å
1606V96.2Very high93.4Very high5 Ų523.8 Ų23.83%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-113.6116-179.8-173.40000108.1F1590 P1594 F1597 L1604 V1612 T1613 Y1615F1590-V1606 HydrophobicContact CD1-CB 4.42Å; F1590-V1606 HydrophobicContact CD1-CG1 3.97Å; F1590-V1606 HydrophobicContact CD1-CG2 3.9Å; F1590-V1606 HydrophobicContact CE1-CG1 4.41Å; F1590-V1606 HydrophobicContact CE1-CG2 3.76Å; F1590-V1606 HydrophobicContact CG-CG1 4.11Å; P1594-V1606 HydrophobicContact CB-CG1 3.68Å; P1594-V1606 HydrophobicContact CG-CG1 3.62Å; F1597-V1606 HydrophobicContact CD1-CB 4.33Å; F1597-V1606 HydrophobicContact CD1-CG1 4.04Å; F1597-V1606 HydrophobicContact CD1-CG2 3.94Å; F1597-V1606 HydrophobicContact CE1-CB 4.34Å; F1597-V1606 HydrophobicContact CE1-CG1 3.66Å; F1597-V1606 HydrophobicContact CE1-CG2 3.98Å; F1597-V1606 HydrophobicContact CZ-CG1 4.37Å; L1604-V1606 HydrophobicContact CD1-CG2 4.39Å; L1604-V1606 HydrophobicContact CD2-CG2 4.31Å; L1604-V1606 HydrophobicContact CG-CG2 3.95Å; V1606-V1612 CarbonylContact O-C 3.38Å; V1606-V1612 WeakPolarHBondContact O-CA 3.41Å; V1606-T1613 PolarHBondContact N-O 3.16Å; V1606-T1613 PolarHBondContact O-N 2.98Å; V1606-Y1615 HydrophobicContact CB-CE2 4.45Å; V1606-Y1615 HydrophobicContact CG2-CD2 3.94Å; V1606-Y1615 HydrophobicContact CG2-CE2 3.87Å
1607Y95.6Very high93.4Very high0 Ų020.9 Ų20.90%012%0.121CC..EExtended strand (participates in β ladder)trans-100.2118.9-168.9-59.9-112.8000109.6I1595 H1596 S1598 C1605 V1612 A1631 P1633 G1638 T1641I1595-Y1607 PolarHBondContact N-O 3.38Å; H1596-Y1607 HydrophobicContact CB-CD2 4.23Å; H1596-Y1607 HydrophobicContact CB-CG 4.22Å; H1596-Y1607 PolarHBondContact N-O 2.64Å; H1596-Y1607 WeakPolarHBondContact O-CD2 3.27Å; H1596-Y1607 PolarHBondContact O-N 3.16Å; S1598-Y1607 WeakPolarHBondContact OG-CE2 3.42Å; S1598-Y1607 PolarHBondContact OG-OH 3.35Å; C1605-Y1607 HydrophobicContact CB-CD2 4.41Å; C1605-Y1607 HydrophobicContact CB-CE2 3.58Å; C1605-Y1607 WeakPolarHBondContact O-CD2 3.49Å; C1605-Y1607 WeakPolarHBondContact O-CE2 3.33Å; Y1607-V1612 HydrophobicContact CD1-CB 4.34Å; Y1607-V1612 HydrophobicContact CD1-CG1 3.98Å; Y1607-V1612 HydrophobicContact CD1-CG2 3.36Å; Y1607-V1612 HydrophobicContact CD2-CG1 4.12Å; Y1607-V1612 HydrophobicContact CE1-CG1 4.02Å; Y1607-V1612 HydrophobicContact CE1-CG2 3.78Å; Y1607-V1612 HydrophobicContact CE2-CG1 4.15Å; Y1607-V1612 HydrophobicContact CG-CG1 4.01Å; Y1607-V1612 HydrophobicContact CG-CG2 3.94Å; Y1607-A1631 HydrophobicContact CD1-CB 3.8Å; Y1607-A1631 HydrophobicContact CE1-CB 4.43Å; Y1607-P1633 HydrophobicContact CD2-CG 4.23Å; Y1607-P1633 HydrophobicContact CE1-CB 4.27Å; Y1607-P1633 HydrophobicContact CE1-CG 4.36Å; Y1607-P1633 HydrophobicContact CE2-CB 4.14Å; Y1607-P1633 HydrophobicContact CE2-CG 3.9Å; Y1607-G1638 WeakPolarHBondContact OH-CA 3.46Å; Y1607-T1641 HydrophobicContact CE1-CG2 4.06Å; Y1607-T1641 PolarHBondContact OH-OG1 2.79Å
1608S94Very high93.2Very high7 Ų722.9 Ų22.95%0.04914%0.136CC..  trans-100.6-178.5169.572.80000110.9C1610 H1611S1608-C1610 PolarHBondContact O-N 2.7Å; S1608-C1610 PolarHBondContact OG-N 2.68Å; S1608-H1611 PolarHBondContact N-O 3.43Å; S1608-H1611 PolarHBondContact OG-CE1 3.37Å; S1608-H1611 VanDerWaalsContact OG-CE1 3.22Å; S1608-H1611 PolarHBondContact OG-N 2.91Å; S1608-H1611 VanDerWaalsContact OG-N 3.13Å; S1608-H1611 PolarHBondContact OG-ND1 3.17Å; S1608-H1611 VanDerWaalsContact OG-ND1 3.14Å; S1608-H1611 PolarHBondContact OG-O 3.09Å
1609E90.3Very high92.9Very high105 Ų10526.4 Ų26.449%0.49116%0.158SC..SBendtrans-62.4-28.4176.5-154.7-158.5143.600113.1I1595 R1629 K1630I1595-E1609 HydrophobicContact CD1-CB 3.96Å; I1595-E1609 HydrophobicContact CD1-CG 4.33Å; E1609-R1629 CarbonylContact O-C 3.53Å; E1609-K1630 PolarHBondContact O-N 3.47Å
1610C90.1Very high92.7Very high32 Ų3224.6 Ų24.622%0.21615%0.152CC..SBendtrans-118.6-18.8-168.4-68.40000114.9L1250 S1608 L1628L1250-C1610 HydrophobicContact CD1-CB 4.01Å; S1608-C1610 PolarHBondContact O-N 2.7Å; S1608-C1610 PolarHBondContact OG-N 2.68Å; C1610-L1628 CarbonylContact C-O 3.45Å
1611H93.6Very high92.6Very high1 Ų127.1 Ų27.11%0.00516%0.16CC..  trans-159.5159.7-176.258.8-77.3000112.1L1250 V1251 S1592 S1608 T1625 L1626L1250-H1611 HydrophobicContact CD1-CB 4.27Å; V1251-H1611 PolarHBondContact N-CE1 3.22Å; V1251-H1611 PolarHBondContact N-ND1 2.86Å; S1592-H1611 PolarHBondContact OG-CE1 2.82Å; S1592-H1611 PolarHBondContact OG-NE2 3.24Å; S1608-H1611 PolarHBondContact N-O 3.43Å; S1608-H1611 PolarHBondContact OG-CE1 3.37Å; S1608-H1611 VanDerWaalsContact OG-CE1 3.22Å; S1608-H1611 PolarHBondContact OG-N 2.91Å; S1608-H1611 VanDerWaalsContact OG-N 3.13Å; S1608-H1611 PolarHBondContact OG-ND1 3.17Å; S1608-H1611 VanDerWaalsContact OG-ND1 3.14Å; S1608-H1611 PolarHBondContact OG-O 3.09Å; H1611-T1625 HydrophobicContact CB-CG2 4.01Å; H1611-L1626 CarbonylContact C-O 3.55Å; H1611-L1626 VanDerWaalsContact CA-O 3.27Å; H1611-L1626 WeakPolarHBondContact CA-O 3.28Å; H1611-L1626 WeakPolarHBondContact CB-O 3.37Å
1612V95.2Very high92.7Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-111.4120.7173.7-172.50000109C1605 V1606 Y1607 T1625 L1626 L1628 A1631C1605-V1612 HydrophobicContact CB-CG1 3.8Å; V1606-V1612 CarbonylContact O-C 3.38Å; V1606-V1612 WeakPolarHBondContact O-CA 3.41Å; Y1607-V1612 HydrophobicContact CD1-CB 4.34Å; Y1607-V1612 HydrophobicContact CD1-CG1 3.98Å; Y1607-V1612 HydrophobicContact CD1-CG2 3.36Å; Y1607-V1612 HydrophobicContact CD2-CG1 4.12Å; Y1607-V1612 HydrophobicContact CE1-CG1 4.02Å; Y1607-V1612 HydrophobicContact CE1-CG2 3.78Å; Y1607-V1612 HydrophobicContact CE2-CG1 4.15Å; Y1607-V1612 HydrophobicContact CG-CG1 4.01Å; Y1607-V1612 HydrophobicContact CG-CG2 3.94Å; V1612-T1625 CarbonylContact O-C 3.59Å; V1612-T1625 WeakPolarHBondContact O-CA 3.44Å; V1612-L1626 HydrophobicContact CB-CB 4.31Å; V1612-L1626 PolarHBondContact N-O 3.13Å; V1612-L1626 PolarHBondContact O-N 3.12Å; V1612-L1628 HydrophobicContact CG2-CB 4.25Å; V1612-A1631 HydrophobicContact CG2-CB 3.66Å
1613T95.1Very high92.6Very high4 Ų424 Ų243%0.02513%0.128CC..EExtended strand (participates in β ladder)trans-92.4136.4174.154.60000110.5P1591 C1605 V1606 Y1615 W1622 T1625P1591-T1613 HydrophobicContact CG-CG2 3.86Å; C1605-T1613 WeakPolarHBondContact CA-O 3.36Å; V1606-T1613 PolarHBondContact N-O 3.16Å; V1606-T1613 PolarHBondContact O-N 2.98Å; T1613-Y1615 WeakPolarHBondContact OG1-CE2 3.29Å; T1613-W1622 HydrophobicContact CG2-CH2 4.21Å; T1613-W1622 HydrophobicContact CG2-CZ2 3.39Å; T1613-T1625 HydrophobicContact CG2-CG2 4.13Å
1614V95Very high92.5Very high0 Ų023.8 Ų23.80%013%0.128CC..EExtended strand (participates in β ladder)trans-114.6116.4-174.7-171.80000109.3A1336 F1337 Y1603 L1604 V1623 Q1624 L1626A1336-V1614 HydrophobicContact CB-CG1 3.99Å; F1337-V1614 HydrophobicContact CD2-CG1 4.16Å; F1337-V1614 HydrophobicContact CD2-CG2 4.21Å; F1337-V1614 HydrophobicContact CE2-CG1 3.81Å; F1337-V1614 HydrophobicContact CE2-CG2 4.48Å; Y1603-V1614 HydrophobicContact CD1-CG1 3.94Å; Y1603-V1614 HydrophobicContact CG-CG1 4.08Å; L1604-V1614 WeakPolarHBondContact O-CA 3.34Å; V1614-V1623 WeakPolarHBondContact O-CB 3.33Å; V1614-V1623 PolarHBondContact O-N 3.26Å; V1614-Q1624 HydrophobicContact CB-CB 4.14Å; V1614-Q1624 HydrophobicContact CG2-CB 4.26Å; V1614-Q1624 PolarHBondContact N-O 3.31Å; V1614-Q1624 PolarHBondContact O-N 3.49Å; V1614-L1626 HydrophobicContact CG2-CD1 4.49Å; V1614-L1626 HydrophobicContact CG2-CG 4.44Å
1615Y94.3Very high92.5Very high8 Ų824 Ų243%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-108.3135.7177.3-61.9-99.9000110.5L1588 M1589 F1590 P1591 Y1603 L1604 V1606 T1613 V1617 E1621 W1622L1588-Y1615 HydrophobicContact CD2-CD1 4.03Å; M1589-Y1615 PolarHBondContact O-OH 3.25Å; F1590-Y1615 HydrophobicContact CD1-CE2 4.02Å; F1590-Y1615 HydrophobicContact CE1-CE2 4.37Å; P1591-Y1615 VanDerWaalsContact CD-OH 3.29Å; P1591-Y1615 WeakPolarHBondContact CD-OH 3.47Å; Y1603-Y1615 CarbonylContact C-O 3.51Å; Y1603-Y1615 WeakPolarHBondContact CA-O 3.21Å; L1604-Y1615 PolarHBondContact N-O 2.9Å; L1604-Y1615 PolarHBondContact O-N 2.9Å; V1606-Y1615 HydrophobicContact CB-CE2 4.45Å; V1606-Y1615 HydrophobicContact CG2-CD2 3.94Å; V1606-Y1615 HydrophobicContact CG2-CE2 3.87Å; T1613-Y1615 WeakPolarHBondContact OG1-CE2 3.29Å; Y1615-V1617 PolarHBondContact O-N 3.18Å; Y1615-E1621 CarbonylContact C-O 3.58Å; Y1615-E1621 VanDerWaalsContact CA-O 3.27Å; Y1615-E1621 WeakPolarHBondContact CA-O 3.31Å; Y1615-W1622 HydrophobicContact CD1-CB 4Å; Y1615-W1622 HydrophobicContact CE1-CB 3.92Å; Y1615-W1622 HydrophobicContact CE1-CG 4.29Å
1616N92.3Very high92.3Very high25 Ų2524.1 Ų24.113%0.13413%0.13CC..EExtended strand (participates in β ladder)trans-80.6115.2165.3177.8-58.3000107.8P1602 Y1603 T1618 T1619 A1620 E1621 V1623P1602-N1616 WeakPolarHBondContact O-CA 3.32Å; Y1603-N1616 HydrophobicContact CD1-CB 4.39Å; Y1603-N1616 HydrophobicContact CE1-CB 4.39Å; N1616-T1618 VanDerWaalsContact C-N 3.27Å; N1616-T1618 PolarHBondContact O-N 3.45Å; N1616-T1618 WeakPolarHBondContact OD1-CA 3.36Å; N1616-T1618 VanDerWaalsContact OD1-CB 3.27Å; N1616-T1618 WeakPolarHBondContact OD1-CB 3.43Å; N1616-T1618 PolarHBondContact OD1-N 3.45Å; N1616-T1619 WeakPolarHBondContact CB-OG1 3.5Å; N1616-T1619 PolarHBondContact O-N 3.02Å; N1616-T1619 PolarHBondContact OD1-N 3.14Å; N1616-T1619 PolarHBondContact OD1-OG1 3.34Å; N1616-A1620 VanDerWaalsContact O-CA 3.32Å; N1616-A1620 WeakPolarHBondContact O-CA 3.34Å; N1616-A1620 PolarHBondContact O-N 3.3Å; N1616-E1621 PolarHBondContact N-O 3.14Å; N1616-V1623 HydrophobicContact CB-CG2 3.57Å
1617V92.9Very high92.1Very high2 Ų224 Ų241%0.01213%0.129CC..THydrogen-bonded Turntrans-69.1-28-174.6-54.90000112.1I1558 V1560 L1566 Y1575 F1599 P1602 L1604 Y1615I1558-V1617 HydrophobicContact CD1-CG1 4.31Å; I1558-V1617 HydrophobicContact CG2-CB 4.48Å; I1558-V1617 HydrophobicContact CG2-CG1 4.34Å; I1558-V1617 HydrophobicContact CG2-CG2 4.09Å; V1560-V1617 HydrophobicContact CG2-CB 4.47Å; V1560-V1617 HydrophobicContact CG2-CG2 4.34Å; L1566-V1617 HydrophobicContact CD2-CB 3.9Å; L1566-V1617 HydrophobicContact CD2-CG1 3.64Å; Y1575-V1617 VanDerWaalsContact CE1-O 3.22Å; Y1575-V1617 WeakPolarHBondContact CE1-O 3.31Å; Y1575-V1617 PolarHBondContact OH-O 3.27Å; F1599-V1617 HydrophobicContact CD2-CG1 4.21Å; F1599-V1617 HydrophobicContact CE2-CB 4.41Å; F1599-V1617 HydrophobicContact CE2-CG1 3.76Å; F1599-V1617 HydrophobicContact CE2-CG2 3.74Å; F1599-V1617 HydrophobicContact CZ-CG2 4.07Å; P1602-V1617 PolarHBondContact O-N 3.34Å; L1604-V1617 HydrophobicContact CB-CG1 3.59Å; Y1615-V1617 PolarHBondContact O-N 3.18Å
1618T91.2Very high91.9Very high76 Ų7624 Ų2447%0.46613%0.129SC..THydrogen-bonded Turntrans-70.3-41.6179.5-450000111.6R1584 N1616R1584-T1618 PolarHBondContact NH1-O 3.18Å; R1584-T1618 PolarHBondContact NH2-O 3.14Å; R1584-T1618 VanDerWaalsContact NH2-O 3.12Å; N1616-T1618 VanDerWaalsContact C-N 3.27Å; N1616-T1618 PolarHBondContact O-N 3.45Å; N1616-T1618 WeakPolarHBondContact OD1-CA 3.36Å; N1616-T1618 VanDerWaalsContact OD1-CB 3.27Å; N1616-T1618 WeakPolarHBondContact OD1-CB 3.43Å; N1616-T1618 PolarHBondContact OD1-N 3.45Å
1619T88.6Confident91.8Very high73 Ų7327.4 Ų27.445%0.44814%0.141SC..THydrogen-bonded Turntrans-94.4-14179.765.60000114.2N1616 E1621N1616-T1619 WeakPolarHBondContact CB-OG1 3.5Å; N1616-T1619 PolarHBondContact O-N 3.02Å; N1616-T1619 PolarHBondContact OD1-N 3.14Å; N1616-T1619 PolarHBondContact OD1-OG1 3.34Å; T1619-E1621 PolarHBondContact O-N 3.32Å; T1619-E1621 WeakPolarHBondContact OG1-CB 3.18Å; T1619-E1621 WeakPolarHBondContact OG1-CG 3.08Å; T1619-E1621 PolarHBondContact OG1-N 3.11Å
1620A88.1Confident91.8Very high14 Ų1427.4 Ų27.412%0.11614%0.139CC..THydrogen-bonded Turntrans59.916.4-16800000114.5Y1575 L1586 L1588 N1616Y1575-A1620 HydrophobicContact CE2-CB 3.97Å; Y1575-A1620 WeakPolarHBondContact OH-CB 3.47Å; L1586-A1620 HydrophobicContact CD2-CB 3.83Å; L1586-A1620 HydrophobicContact CG-CB 4.43Å; L1588-A1620 HydrophobicContact CD2-CB 3.88Å; N1616-A1620 VanDerWaalsContact O-CA 3.32Å; N1616-A1620 WeakPolarHBondContact O-CA 3.34Å; N1616-A1620 PolarHBondContact O-N 3.3Å
1621E87.6Confident91.9Very high89 Ų8926 Ų2642%0.41613%0.13SC..EExtended strand (participates in β ladder)trans-83.6143176.6-68.7-171.4123.500112.4K1334 Y1615 N1616 T1619 V1623K1334-E1621 IonicContact NZ-OE1 2.8Å; K1334-E1621 PolarHBondContact NZ-OE1 2.76Å; K1334-E1621 IonicContact NZ-OE2 3.63Å; K1334-E1621 PolarHBondContact NZ-OE2 3.11Å; Y1615-E1621 CarbonylContact C-O 3.58Å; Y1615-E1621 VanDerWaalsContact CA-O 3.27Å; Y1615-E1621 WeakPolarHBondContact CA-O 3.31Å; N1616-E1621 PolarHBondContact N-O 3.14Å; T1619-E1621 PolarHBondContact O-N 3.32Å; T1619-E1621 WeakPolarHBondContact OG1-CB 3.18Å; T1619-E1621 WeakPolarHBondContact OG1-CG 3.08Å; T1619-E1621 PolarHBondContact OG1-N 3.11Å; E1621-V1623 PolarHBondContact O-N 3.43Å
1622W90.1Very high91.9Very high37 Ų3728.5 Ų28.514%0.1414%0.141CC..EExtended strand (participates in β ladder)trans-78.7107.5163.2-177.6-2.6000109.8I1150 K1227 F1229 V1251 P1591 T1613 Y1615 Q1624 T1625I1150-W1622 HydrophobicContact CD1-CZ3 4.28Å; I1150-W1622 HydrophobicContact CG2-CZ3 4.46Å; K1227-W1622 HydrophobicContact CD-CD2 4.29Å; K1227-W1622 HydrophobicContact CD-CH2 3.98Å; K1227-W1622 HydrophobicContact CD-CZ2 3.71Å; K1227-W1622 HydrophobicContact CD-CZ3 4.4Å; F1229-W1622 AromaticContact CE1-CH2 3.51Å; F1229-W1622 HydrophobicContact CE1-CH2 3.51Å; F1229-W1622 AromaticContact CE1-CZ3 3.59Å; F1229-W1622 HydrophobicContact CE1-CZ3 3.59Å; F1229-W1622 AromaticContact CZ-CH2 3.79Å; F1229-W1622 HydrophobicContact CZ-CH2 3.79Å; F1229-W1622 AromaticContact CZ-CZ3 3.68Å; F1229-W1622 HydrophobicContact CZ-CZ3 3.68Å; V1251-W1622 HydrophobicContact CB-CH2 4.26Å; V1251-W1622 HydrophobicContact CB-CZ2 4.17Å; V1251-W1622 HydrophobicContact CG1-CH2 3.76Å; V1251-W1622 HydrophobicContact CG1-CZ2 3.65Å; V1251-W1622 HydrophobicContact CG2-CH2 3.8Å; V1251-W1622 HydrophobicContact CG2-CZ2 4.14Å; P1591-W1622 HydrophobicContact CB-CH2 4.04Å; P1591-W1622 HydrophobicContact CB-CZ3 4.29Å; P1591-W1622 HydrophobicContact CG-CH2 3.68Å; P1591-W1622 HydrophobicContact CG-CZ2 4.25Å; P1591-W1622 HydrophobicContact CG-CZ3 4.12Å; T1613-W1622 HydrophobicContact CG2-CH2 4.21Å; T1613-W1622 HydrophobicContact CG2-CZ2 3.39Å; Y1615-W1622 HydrophobicContact CD1-CB 4Å; Y1615-W1622 HydrophobicContact CE1-CB 3.92Å; Y1615-W1622 HydrophobicContact CE1-CG 4.29Å; W1622-Q1624 VanDerWaalsContact CD1-O 3.27Å; W1622-Q1624 PolarHBondContact NE1-O 3.29Å; W1622-T1625 WeakPolarHBondContact CZ2-OG1 3.5Å; W1622-T1625 PolarHBondContact NE1-OG1 3.27Å; W1622-T1625 VanDerWaalsContact NE1-OG1 3.13Å
1623V89.5Confident91.9Very high8 Ų829.4 Ų29.45%0.04815%0.147CC..EExtended strand (participates in β ladder)trans-80.3-60.6-170.9-1800000110.7R1255 K1334 A1336 Y1603 V1614 N1616 E1621R1255-V1623 VanDerWaalsContact CZ-O 3.28Å; R1255-V1623 PolarHBondContact NH1-O 2.79Å; R1255-V1623 PolarHBondContact NH2-O 3.27Å; K1334-V1623 HydrophobicContact CB-CG1 3.94Å; K1334-V1623 CarbonylContact O-C 3.52Å; K1334-V1623 WeakPolarHBondContact O-CG1 3.49Å; K1334-V1623 VanDerWaalsContact O-O 3.11Å; A1336-V1623 HydrophobicContact CB-CG1 4.16Å; Y1603-V1623 HydrophobicContact CD1-CG2 4.34Å; Y1603-V1623 HydrophobicContact CE1-CG1 4.11Å; Y1603-V1623 HydrophobicContact CE1-CG2 4.1Å; V1614-V1623 WeakPolarHBondContact O-CB 3.33Å; V1614-V1623 PolarHBondContact O-N 3.26Å; N1616-V1623 HydrophobicContact CB-CG2 3.57Å; E1621-V1623 PolarHBondContact O-N 3.43Å
1624Q91.6Very high91.8Very high13 Ų1329.6 Ų29.66%0.06115%0.148CC..EExtended strand (participates in β ladder)trans-139.1161.9-170.1-168.3-179.79.900110.9F1337 V1614 W1622 L1626F1337-Q1624 PolarHBondContact O-NE2 3.16Å; F1337-Q1624 PolarHBondContact O-OE1 2.98Å; V1614-Q1624 HydrophobicContact CB-CB 4.14Å; V1614-Q1624 HydrophobicContact CG2-CB 4.26Å; V1614-Q1624 PolarHBondContact N-O 3.31Å; V1614-Q1624 PolarHBondContact O-N 3.49Å; W1622-Q1624 VanDerWaalsContact CD1-O 3.27Å; W1622-Q1624 PolarHBondContact NE1-O 3.29Å; Q1624-L1626 HydrophobicContact CG-CD2 4.19Å; Q1624-L1626 VanDerWaalsContact NE2-CD2 3.34Å
1625T93.9Very high91.7Very high4 Ų430.9 Ų30.93%0.02515%0.154CC..EExtended strand (participates in β ladder)trans-127.6132.4163.9-420000109.1V1251 D1253 H1611 V1612 T1613 W1622V1251-T1625 HydrophobicContact CB-CG2 4.15Å; V1251-T1625 HydrophobicContact CG1-CG2 4.33Å; D1253-T1625 PolarHBondContact OD2-N 3.21Å; D1253-T1625 PolarHBondContact OD2-OG1 2.84Å; H1611-T1625 HydrophobicContact CB-CG2 4.01Å; V1612-T1625 CarbonylContact O-C 3.59Å; V1612-T1625 WeakPolarHBondContact O-CA 3.44Å; T1613-T1625 HydrophobicContact CG2-CG2 4.13Å; W1622-T1625 WeakPolarHBondContact CZ2-OG1 3.5Å; W1622-T1625 PolarHBondContact NE1-OG1 3.27Å; W1622-T1625 VanDerWaalsContact NE1-OG1 3.13Å
1626L93.5Very high91.3Very high3 Ų336.7 Ų36.72%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-106.6129.5177.3-56.9175.4000109.7F1337 V1339 H1611 V1612 V1614 Q1624 L1628 L1654F1337-L1626 HydrophobicContact CB-CD1 4.34Å; V1339-L1626 HydrophobicContact CG2-CD1 4.28Å; V1339-L1626 HydrophobicContact CG2-CD2 4.02Å; H1611-L1626 CarbonylContact C-O 3.55Å; H1611-L1626 VanDerWaalsContact CA-O 3.27Å; H1611-L1626 WeakPolarHBondContact CA-O 3.28Å; H1611-L1626 WeakPolarHBondContact CB-O 3.37Å; V1612-L1626 HydrophobicContact CB-CB 4.31Å; V1612-L1626 PolarHBondContact N-O 3.13Å; V1612-L1626 PolarHBondContact O-N 3.12Å; V1614-L1626 HydrophobicContact CG2-CD1 4.49Å; V1614-L1626 HydrophobicContact CG2-CG 4.44Å; Q1624-L1626 HydrophobicContact CG-CD2 4.19Å; Q1624-L1626 VanDerWaalsContact NE2-CD2 3.34Å; L1626-L1628 HydrophobicContact CB-CD1 4.22Å; L1626-L1628 HydrophobicContact CB-CG 4.07Å; L1626-L1628 HydrophobicContact CD1-CD1 4.32Å; L1626-L1628 PolarHBondContact O-N 3.49Å; L1626-L1654 HydrophobicContact CD1-CD1 4.29Å; L1626-L1654 HydrophobicContact CD1-CD2 4.01Å
1627N91.4Very high91.2Very high2 Ų237.3 Ų37.31%0.01118%0.182CC..  trans-80.145.1-174.2-56.6-61.1000113.1D1256 S1285 S1286 M1300D1256-N1627 PolarHBondContact OD2-ND2 3.39Å; S1285-N1627 WeakPolarHBondContact CB-ND2 3.47Å; S1285-N1627 PolarHBondContact OG-ND2 2.76Å; S1286-N1627 WeakPolarHBondContact O-CB 3.48Å; S1286-N1627 PolarHBondContact O-ND2 3.03Å; M1300-N1627 HydrophobicContact CB-CB 4.28Å; M1300-N1627 HydrophobicContact CE-CB 3.59Å; M1300-N1627 WeakPolarHBondContact CE-OD1 3.36Å; M1300-N1627 HydrophobicContact SD-CB 3.89Å
1628L92.2Very high91Very high0 Ų037.2 Ų37.20%018%0.182CC..  trans-94.1105.4-174.6-56.6179.5000110.5Q1287 V1339 C1610 V1612 L1626 A1631 T1641 C1643 V1652 L1654Q1287-L1628 HydrophobicContact CG-CD2 4.44Å; Q1287-L1628 VanDerWaalsContact O-CD2 3.27Å; Q1287-L1628 WeakPolarHBondContact O-CD2 3.49Å; V1339-L1628 HydrophobicContact CG1-CD1 4.48Å; V1339-L1628 HydrophobicContact CG1-CD2 4.11Å; V1339-L1628 HydrophobicContact CG2-CD1 4.25Å; V1339-L1628 HydrophobicContact CG2-CD2 4.4Å; C1610-L1628 CarbonylContact C-O 3.45Å; V1612-L1628 HydrophobicContact CG2-CB 4.25Å; L1626-L1628 HydrophobicContact CB-CD1 4.22Å; L1626-L1628 HydrophobicContact CB-CG 4.07Å; L1626-L1628 HydrophobicContact CD1-CD1 4.32Å; L1626-L1628 PolarHBondContact O-N 3.49Å; L1628-A1631 HydrophobicContact CB-CB 3.65Å; L1628-A1631 VanDerWaalsContact O-CB 3.29Å; L1628-A1631 WeakPolarHBondContact O-CB 3.24Å; L1628-T1641 HydrophobicContact CD1-CG2 4.45Å; L1628-C1643 HydrophobicContact CB-CB 4.15Å; L1628-C1643 HydrophobicContact CD2-CB 4.46Å; L1628-V1652 HydrophobicContact CD1-CG2 4.38Å; L1628-L1654 HydrophobicContact CD1-CD2 3.93Å
1629R90.5Very high91.1Very high80 Ų8034 Ų3430%0.30216%0.163SC..EExtended strand (participates in β ladder)trans-78.1141.2177.9-169.4178.2-179.6-142-0.1111.4E1609 A1631 C1644 D1647E1609-R1629 CarbonylContact O-C 3.53Å; R1629-A1631 PolarHBondContact O-N 2.84Å; R1629-C1644 WeakPolarHBondContact O-CB 3.44Å; R1629-C1644 PolarHBondContact O-N 2.97Å; R1629-D1647 IonicContact NH1-OD1 2.7Å
1630K90Very high91.3Very high104 Ų10430.5 Ų30.545%0.45214%0.141SC..EExtended strand (participates in β ladder)trans48.737.4-173.3-64.7179.9177.4-177.50112.3E1609 C1644E1609-K1630 PolarHBondContact O-N 3.47Å; K1630-C1644 HydrophobicContact CB-CB 4.14Å; K1630-C1644 HydrophobicContact CD-CB 4.49Å
1631A93.3Very high91.7Very high3 Ų329.8 Ų29.83%0.02514%0.136CC..EExtended strand (participates in β ladder)trans-73.8130.8-175.100000111.3Y1607 V1612 L1628 R1629 T1641 L1642 C1643Y1607-A1631 HydrophobicContact CD1-CB 3.8Å; Y1607-A1631 HydrophobicContact CE1-CB 4.43Å; V1612-A1631 HydrophobicContact CG2-CB 3.66Å; L1628-A1631 HydrophobicContact CB-CB 3.65Å; L1628-A1631 VanDerWaalsContact O-CB 3.29Å; L1628-A1631 WeakPolarHBondContact O-CB 3.24Å; R1629-A1631 PolarHBondContact O-N 2.84Å; A1631-T1641 HydrophobicContact CB-CG2 4.19Å; A1631-L1642 CarbonylContact C-O 3.27Å; A1631-L1642 VanDerWaalsContact CA-O 3.3Å; A1631-L1642 WeakPolarHBondContact CA-O 3.39Å; A1631-C1643 HydrophobicContact CB-CB 4.35Å
1632K93.5Very high92Very high54 Ų5426.2 Ų26.224%0.23512%0.119CC..EExtended strand (participates in β ladder)trans-133.6126176.6171.4175174.3-168.50110.5L1355 L1634 T1641 L1642L1355-K1632 WeakPolarHBondContact O-CE 3.46Å; L1355-K1632 PolarHBondContact O-NZ 3.1Å; K1632-L1634 PolarHBondContact O-N 3.14Å; K1632-T1641 CarbonylContact O-C 3.48Å; K1632-T1641 WeakPolarHBondContact O-CA 3.37Å; K1632-L1642 PolarHBondContact N-O 3.41Å; K1632-L1642 PolarHBondContact O-N 2.88Å
1633P94.7Very high92.2Very high18 Ų1824.4 Ų24.412%0.11711%0.113CC..EExtended strand (participates in β ladder)trans-65.3129.6170.928.2-31.8000109.6H1596 Y1607H1596-P1633 VanDerWaalsContact CB-CD 3.49Å; H1596-P1633 HydrophobicContact CB-CG 3.87Å; Y1607-P1633 HydrophobicContact CD2-CG 4.23Å; Y1607-P1633 HydrophobicContact CE1-CB 4.27Å; Y1607-P1633 HydrophobicContact CE1-CG 4.36Å; Y1607-P1633 HydrophobicContact CE2-CB 4.14Å; Y1607-P1633 HydrophobicContact CE2-CG 3.9Å
1634L93.9Very high92.2Very high9 Ų924.6 Ų24.65%0.04711%0.114CC..SBendtrans-91-31.8171.8-63.3175.8000111A1354 T1357 L1367 K1632 L1640 L1642 I1651A1354-L1634 HydrophobicContact CB-CD1 4.44Å; A1354-L1634 HydrophobicContact CB-CD2 4.1Å; T1357-L1634 HydrophobicContact CG2-CB 3.46Å; T1357-L1634 VanDerWaalsContact CG2-CB 3.46Å; T1357-L1634 PolarHBondContact N-O 2.94Å; L1367-L1634 HydrophobicContact CD1-CD1 4.01Å; K1632-L1634 PolarHBondContact O-N 3.14Å; L1634-L1640 PolarHBondContact N-O 3.31Å; L1634-L1642 HydrophobicContact CD1-CB 4.14Å; L1634-L1642 HydrophobicContact CD2-CB 4.14Å; L1634-L1642 HydrophobicContact CG-CB 4.1Å; L1634-I1651 HydrophobicContact CD1-CD1 3.97Å; L1634-I1651 HydrophobicContact CD1-CG1 4.05Å; L1634-I1651 HydrophobicContact CD1-CG2 4.28Å
1635L91.8Very high91.9Very high27 Ų2724.4 Ų24.414%0.14111%0.114CC..SBendtrans-96.3151.2168.6-70.7172.6000111T1357 V1359 S1637 G1638 A1639 L1640T1357-L1635 HydrophobicContact CG2-CD2 3.73Å; T1357-L1635 HydrophobicContact CG2-CG 3.61Å; T1357-L1635 WeakPolarHBondContact O-CD2 3.26Å; V1359-L1635 HydrophobicContact CG2-CD1 3.98Å; V1359-L1635 HydrophobicContact CG2-CD2 4.38Å; L1635-S1637 PolarHBondContact O-N 3.32Å; L1635-S1637 VanDerWaalsContact O-N 3.13Å; L1635-G1638 PolarHBondContact O-N 3.45Å; L1635-A1639 HydrophobicContact CD1-CB 4.11Å; L1635-L1640 HydrophobicContact CD1-CB 3.97Å; L1635-L1640 HydrophobicContact CD1-CD1 4.2Å; L1635-L1640 HydrophobicContact CD1-CG 3.84Å; L1635-L1640 HydrophobicContact CG-CB 4.09Å; L1635-L1640 HydrophobicContact CG-CG 4.4Å; L1635-L1640 PolarHBondContact N-O 3.03Å
1636R87.4Confident91.2Very high130 Ų13028.5 Ų28.549%0.49115%0.148SC..THydrogen-bonded Turntrans-57-26.5170.6-64.8-172.2-173.1-117.61.9113.6E1396 F1460 L1508 S1598 F1599E1396-R1636 IonicContact OE1-CZ 3.88Å; E1396-R1636 IonicContact OE1-NE 3.77Å; E1396-R1636 PolarHBondContact OE1-NE 2.83Å; E1396-R1636 IonicContact OE1-NH2 2.67Å; E1396-R1636 PolarHBondContact OE1-NH2 3.04Å; F1460-R1636 PolarHBondContact O-NH2 2.84Å; L1508-R1636 PolarHBondContact O-NH1 3.47Å; S1598-R1636 WeakPolarHBondContact CA-O 3.43Å; S1598-R1636 WeakPolarHBondContact CB-O 3.44Å; F1599-R1636 PolarHBondContact N-O 2.8Å
1637S88.8Confident90.5Very high37 Ų3734.5 Ų34.526%0.25918%0.18SC..THydrogen-bonded Turntrans-76.3-28.7173.458.30000113.5S1598 F1599 L1635 A1639S1598-S1637 VanDerWaalsContact CB-C 3.47Å; S1598-S1637 WeakPolarHBondContact CB-O 3.37Å; S1598-S1637 PolarHBondContact OG-O 3.27Å; F1599-S1637 WeakPolarHBondContact O-CA 3.48Å; L1635-S1637 PolarHBondContact O-N 3.32Å; L1635-S1637 VanDerWaalsContact O-N 3.13Å; S1637-A1639 VanDerWaalsContact C-N 3.3Å; S1637-A1639 PolarHBondContact OG-N 2.79Å
1638G89.7Confident90.2Very high1 Ų138.2 Ų38.21%0.0120%0.196CC..SBendtrans85-5.2-170.700000114.8S1598 Y1607 L1635 L1640 T1641 L1654S1598-G1638 VanDerWaalsContact OG-CA 3.26Å; S1598-G1638 WeakPolarHBondContact OG-CA 3.39Å; S1598-G1638 PolarHBondContact OG-N 2.63Å; Y1607-G1638 WeakPolarHBondContact OH-CA 3.46Å; L1635-G1638 PolarHBondContact O-N 3.45Å; G1638-L1640 CarbonylContact O-C 3.47Å; G1638-L1640 PolarHBondContact O-N 3.24Å; G1638-L1640 VanDerWaalsContact O-N 3.11Å; G1638-T1641 PolarHBondContact O-OG1 3.33Å; G1638-L1654 WeakPolarHBondContact O-CD1 3.46Å
1639A92Very high90.1Very high7 Ų740.3 Ų40.36%0.05821%0.207CC..SBendtrans-53.2-36.4-179.200000112L1635 S1637 L1653 L1654 V1663L1635-A1639 HydrophobicContact CD1-CB 4.11Å; S1637-A1639 VanDerWaalsContact C-N 3.3Å; S1637-A1639 PolarHBondContact OG-N 2.79Å; A1639-L1653 CarbonylContact O-C 3.56Å; A1639-L1653 VanDerWaalsContact O-CA 3.28Å; A1639-L1653 WeakPolarHBondContact O-CA 3.11Å; A1639-L1654 PolarHBondContact O-N 2.98Å; A1639-V1663 HydrophobicContact CB-CG2 4.16Å
1640L94.3Very high90.1Very high0 Ų036.7 Ų36.70%019%0.193CC..EExtended strand (participates in β ladder)trans-102.8122.7162.1-63.1-177.9000109.6L1342 T1357 V1359 F1365 L1634 L1635 G1638 I1651 L1653 M1664L1342-L1640 HydrophobicContact CD1-CD2 3.42Å; L1342-L1640 VanDerWaalsContact CD1-CD2 3.42Å; T1357-L1640 HydrophobicContact CG2-CB 3.96Å; T1357-L1640 HydrophobicContact CG2-CD1 3.79Å; T1357-L1640 HydrophobicContact CG2-CG 4.48Å; V1359-L1640 HydrophobicContact CG2-CD1 3.9Å; F1365-L1640 HydrophobicContact CB-CD1 4.23Å; F1365-L1640 HydrophobicContact CD1-CD1 4.22Å; F1365-L1640 HydrophobicContact CG-CD1 4.1Å; L1634-L1640 PolarHBondContact N-O 3.31Å; L1635-L1640 HydrophobicContact CD1-CB 3.97Å; L1635-L1640 HydrophobicContact CD1-CD1 4.2Å; L1635-L1640 HydrophobicContact CD1-CG 3.84Å; L1635-L1640 HydrophobicContact CG-CB 4.09Å; L1635-L1640 HydrophobicContact CG-CG 4.4Å; L1635-L1640 PolarHBondContact N-O 3.03Å; G1638-L1640 CarbonylContact O-C 3.47Å; G1638-L1640 PolarHBondContact O-N 3.24Å; G1638-L1640 VanDerWaalsContact O-N 3.11Å; L1640-I1651 HydrophobicContact CD2-CG2 4.45Å; L1640-L1653 HydrophobicContact CD2-CD1 4.02Å; L1640-M1664 HydrophobicContact CD1-CG 4.37Å; L1640-M1664 HydrophobicContact CD2-CG 4.08Å
1641T95.5Very high90.3Very high0 Ų031.8 Ų31.80%017%0.172CC..EExtended strand (participates in β ladder)trans-128.9133-178.2-78.40000109.8Y1607 L1628 A1631 K1632 G1638 C1643 V1652Y1607-T1641 HydrophobicContact CE1-CG2 4.06Å; Y1607-T1641 PolarHBondContact OH-OG1 2.79Å; L1628-T1641 HydrophobicContact CD1-CG2 4.45Å; A1631-T1641 HydrophobicContact CB-CG2 4.19Å; K1632-T1641 CarbonylContact O-C 3.48Å; K1632-T1641 WeakPolarHBondContact O-CA 3.37Å; G1638-T1641 PolarHBondContact O-OG1 3.33Å; T1641-C1643 HydrophobicContact CG2-CB 4.49Å; T1641-V1652 HydrophobicContact CG2-CG2 4.17Å; T1641-V1652 PolarHBondContact N-O 3.06Å; T1641-V1652 WeakPolarHBondContact O-CG2 3.35Å; T1641-V1652 PolarHBondContact O-N 3.36Å
1642L94.8Very high90.2Very high13 Ų1331.6 Ų31.67%0.06817%0.171CC..EExtended strand (participates in β ladder)trans-82.3132.6165.6-174.173.4000108.3V1351 A1354 A1631 K1632 L1634 M1649 C1650 I1651V1351-L1642 HydrophobicContact CG1-CD1 3.72Å; V1351-L1642 WeakPolarHBondContact O-CD1 3.23Å; A1354-L1642 HydrophobicContact CB-CD1 4.28Å; A1354-L1642 HydrophobicContact CB-CD2 4.24Å; A1631-L1642 CarbonylContact C-O 3.27Å; A1631-L1642 VanDerWaalsContact CA-O 3.3Å; A1631-L1642 WeakPolarHBondContact CA-O 3.39Å; K1632-L1642 PolarHBondContact N-O 3.41Å; K1632-L1642 PolarHBondContact O-N 2.88Å; L1634-L1642 HydrophobicContact CD1-CB 4.14Å; L1634-L1642 HydrophobicContact CD2-CB 4.14Å; L1634-L1642 HydrophobicContact CG-CB 4.1Å; L1642-M1649 HydrophobicContact CD1-CB 4.32Å; L1642-C1650 WeakPolarHBondContact CA-O 3.37Å; L1642-I1651 HydrophobicContact CD1-CG1 4.09Å
1643C94Very high90.2Very high0 Ų029.1 Ų29.10%016%0.16CC..EExtended strand (participates in β ladder)trans-145166.8174.568.50000112L1628 A1631 T1641 M1649 C1650L1628-C1643 HydrophobicContact CB-CB 4.15Å; L1628-C1643 HydrophobicContact CD2-CB 4.46Å; A1631-C1643 HydrophobicContact CB-CB 4.35Å; T1641-C1643 HydrophobicContact CG2-CB 4.49Å; C1643-M1649 WeakPolarHBondContact O-CA 3.45Å; C1643-C1650 PolarHBondContact N-O 3.22Å; C1643-C1650 PolarHBondContact O-N 3.11Å
1644C90.4Very high90.2Very high11 Ų1128.5 Ų28.57%0.07416%0.155CC..EExtended strand (participates in β ladder)trans-105.8119.8179.3-172.70000111.6Q1287 R1629 K1630 K1648 M1649Q1287-C1644 PolarHBondContact NE2-O 3.38Å; R1629-C1644 WeakPolarHBondContact O-CB 3.44Å; R1629-C1644 PolarHBondContact O-N 2.97Å; K1630-C1644 HydrophobicContact CB-CB 4.14Å; K1630-C1644 HydrophobicContact CD-CB 4.49Å; C1644-K1648 CarbonylContact C-O 3.56Å; C1644-K1648 WeakPolarHBondContact CA-O 3.48Å; C1644-K1648 PolarHBondContact SG-O 2.88Å; C1644-K1648 VanDerWaalsContact SG-O 3.39Å; C1644-M1649 HydrophobicContact CB-SD 3.93Å
1645V85.2Confident89.9Confident10 Ų1028.1 Ų28.16%0.06115%0.154CC..EExtended strand (participates in β ladder)trans-131.7125.2-175.8-175.60000108.8Q1287 I1288 C1298 D1647 K1648Q1287-V1645 HydrophobicContact CG-CG1 4.41Å; Q1287-V1645 HydrophobicContact CG-CG2 4.14Å; I1288-V1645 HydrophobicContact CD1-CB 4.49Å; I1288-V1645 HydrophobicContact CD1-CG1 4.21Å; I1288-V1645 HydrophobicContact CD1-CG2 4.01Å; I1288-V1645 HydrophobicContact CG1-CG1 4.41Å; I1288-V1645 HydrophobicContact CG1-CG2 4.14Å; C1298-V1645 VanDerWaalsContact SG-CG1 3.51Å; V1645-D1647 PolarHBondContact O-N 2.79Å; V1645-K1648 PolarHBondContact N-O 3.08Å; V1645-K1648 WeakPolarHBondContact O-CA 3.35Å; V1645-K1648 WeakPolarHBondContact O-CB 3.36Å; V1645-K1648 PolarHBondContact O-N 3.35Å
1646A77.3Confident89.7Confident90 Ų9028.1 Ų28.174%0.74415%0.154SC*.THydrogen-bonded Turntrans47.841.7-173.400000114.2K1648A1646-K1648 PolarHBondContact O-N 3.27Å; A1646-K1648 VanDerWaalsContact O-N 3.12Å
1647D79.5Confident89.5Confident129 Ų12925.7 Ų25.769%0.6915%0.149SC*.THydrogen-bonded Turntrans57.214.8-173.4-68-33.8000115.6R1629 V1645R1629-D1647 IonicContact NH1-OD1 2.7Å; V1645-D1647 PolarHBondContact O-N 2.79Å
1648K84.3Confident89Confident79 Ų7930.3 Ų30.334%0.34317%0.17SC..EExtended strand (participates in β ladder)trans-95.4156.7162.1-57.6-165.7-165.9-1780111.3D1344 Q1345 S1346 C1644 V1645 A1646D1344-K1648 VanDerWaalsContact OD2-CD 3.23Å; D1344-K1648 WeakPolarHBondContact OD2-CD 3.48Å; D1344-K1648 IonicContact OD2-NZ 2.68Å; D1344-K1648 PolarHBondContact OD2-NZ 2.97Å; Q1345-K1648 HydrophobicContact CG-CB 4.01Å; Q1345-K1648 HydrophobicContact CG-CD 4.33Å; Q1345-K1648 HydrophobicContact CG-CG 4.37Å; S1346-K1648 PolarHBondContact OG-NZ 3.37Å; C1644-K1648 CarbonylContact C-O 3.56Å; C1644-K1648 WeakPolarHBondContact CA-O 3.48Å; C1644-K1648 PolarHBondContact SG-O 2.88Å; C1644-K1648 VanDerWaalsContact SG-O 3.39Å; V1645-K1648 PolarHBondContact N-O 3.08Å; V1645-K1648 WeakPolarHBondContact O-CA 3.35Å; V1645-K1648 WeakPolarHBondContact O-CB 3.36Å; V1645-K1648 PolarHBondContact O-N 3.35Å; A1646-K1648 PolarHBondContact O-N 3.27Å; A1646-K1648 VanDerWaalsContact O-N 3.12Å
1649M90.7Very high88.4Confident45 Ų4532.7 Ų32.722%0.22219%0.19CC..EExtended strand (participates in β ladder)trans-90.6134.4163.2-64.2-61.3-162.700110.8Q1345 V1351 R1352 L1642 C1643 C1644Q1345-M1649 WeakPolarHBondContact CB-O 3.31Å; Q1345-M1649 PolarHBondContact N-O 3.48Å; V1351-M1649 HydrophobicContact CG1-CB 4.33Å; R1352-M1649 HydrophobicContact CB-CB 4.49Å; R1352-M1649 HydrophobicContact CB-CG 4.31Å; L1642-M1649 HydrophobicContact CD1-CB 4.32Å; C1643-M1649 WeakPolarHBondContact O-CA 3.45Å; C1644-M1649 HydrophobicContact CB-SD 3.93Å
1650C90.9Very high87.5Confident3 Ų339.7 Ų39.72%0.0223%0.231CC..EExtended strand (participates in β ladder)trans-131.2147175.5-55.90000110.7E1341 V1343 D1344 L1642 C1643E1341-C1650 PolarHBondContact OE1-SG 2.96Å; V1343-C1650 WeakPolarHBondContact O-CA 3.39Å; D1344-C1650 HydrophobicContact CB-CB 4.45Å; D1344-C1650 VanDerWaalsContact CB-SG 3.55Å; L1642-C1650 WeakPolarHBondContact CA-O 3.37Å; C1643-C1650 PolarHBondContact N-O 3.22Å; C1643-C1650 PolarHBondContact O-N 3.11Å
1651I93.3Very high86.5Confident1 Ų144.9 Ų44.91%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-91.3120.8163.4-59.5-179.3000107.6L1342 V1343 V1351 F1365 L1367 L1634 L1640 L1642L1342-I1651 PolarHBondContact N-O 3.31Å; V1343-I1651 PolarHBondContact N-O 3.02Å; V1343-I1651 PolarHBondContact O-N 3.48Å; V1351-I1651 HydrophobicContact CG1-CD1 4.39Å; V1351-I1651 HydrophobicContact CG1-CG1 3.88Å; V1351-I1651 HydrophobicContact CG2-CD1 4.05Å; V1351-I1651 HydrophobicContact CG2-CG1 4.32Å; F1365-I1651 HydrophobicContact CE2-CD1 4.05Å; F1365-I1651 HydrophobicContact CZ-CD1 4Å; L1367-I1651 HydrophobicContact CD1-CD1 3.93Å; L1367-I1651 HydrophobicContact CD2-CD1 4.08Å; L1634-I1651 HydrophobicContact CD1-CD1 3.97Å; L1634-I1651 HydrophobicContact CD1-CG1 4.05Å; L1634-I1651 HydrophobicContact CD1-CG2 4.28Å; L1640-I1651 HydrophobicContact CD2-CG2 4.45Å; L1642-I1651 HydrophobicContact CD1-CG1 4.09Å
1652V92.9Very high85.8Confident0 Ų046.7 Ų46.70%027%0.269CS..EExtended strand (participates in β ladder)trans-112.7145.1177.2-63.20000111.3I1288 V1339 R1340 L1628 T1641 L1654I1288-V1652 HydrophobicContact CD1-CG1 3.99Å; I1288-V1652 HydrophobicContact CG1-CG1 4.34Å; V1339-V1652 HydrophobicContact CG1-CB 3.75Å; V1339-V1652 HydrophobicContact CG1-CG1 3.95Å; V1339-V1652 HydrophobicContact CG1-CG2 3.91Å; R1340-V1652 CarbonylContact O-C 3.59Å; R1340-V1652 WeakPolarHBondContact O-CA 3.38Å; R1340-V1652 VanDerWaalsContact O-CB 3.27Å; R1340-V1652 WeakPolarHBondContact O-CB 3.46Å; L1628-V1652 HydrophobicContact CD1-CG2 4.38Å; T1641-V1652 HydrophobicContact CG2-CG2 4.17Å; T1641-V1652 PolarHBondContact N-O 3.06Å; T1641-V1652 WeakPolarHBondContact O-CG2 3.35Å; T1641-V1652 PolarHBondContact O-N 3.36Å; V1652-L1654 HydrophobicContact CG2-CD2 4.35Å
1653L93.4Very high85.2Confident1 Ų149.4 Ų49.41%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-87.1127.8167.1-177.567.3000108.9R1340 L1342 A1639 L1640 S1655 D1662 M1664 T1666R1340-L1653 HydrophobicContact CB-CB 4.41Å; R1340-L1653 PolarHBondContact N-O 3.12Å; R1340-L1653 PolarHBondContact O-N 3.5Å; L1342-L1653 HydrophobicContact CD1-CB 4.21Å; L1342-L1653 HydrophobicContact CD2-CB 4.2Å; L1342-L1653 HydrophobicContact CG-CB 4.11Å; A1639-L1653 CarbonylContact O-C 3.56Å; A1639-L1653 VanDerWaalsContact O-CA 3.28Å; A1639-L1653 WeakPolarHBondContact O-CA 3.11Å; L1640-L1653 HydrophobicContact CD2-CD1 4.02Å; L1653-S1655 WeakPolarHBondContact CD2-OG 3.36Å; L1653-S1655 PolarHBondContact O-N 2.75Å; L1653-D1662 HydrophobicContact CD2-CB 4.3Å; L1653-M1664 HydrophobicContact CD1-CB 4.24Å; L1653-M1664 HydrophobicContact CD2-CB 4.4Å; L1653-M1664 WeakPolarHBondContact CD2-O 3.42Å; L1653-T1666 HydrophobicContact CD2-CG2 3.64Å
1654L93.6Very high84.9Confident5 Ų549.4 Ų49.43%0.02629%0.286CS..EExtended strand (participates in β ladder)trans-93.285.7166.9-56.3-171000108.1F1337 V1339 L1626 L1628 G1638 A1639 V1652 D1656F1337-L1654 HydrophobicContact CB-CB 4.27Å; F1337-L1654 HydrophobicContact CD1-CB 3.92Å; F1337-L1654 WeakPolarHBondContact CD1-O 3.22Å; F1337-L1654 HydrophobicContact CG-CB 4.14Å; V1339-L1654 HydrophobicContact CG1-CD2 4.36Å; V1339-L1654 HydrophobicContact CG2-CD2 3.94Å; L1626-L1654 HydrophobicContact CD1-CD1 4.29Å; L1626-L1654 HydrophobicContact CD1-CD2 4.01Å; L1628-L1654 HydrophobicContact CD1-CD2 3.93Å; G1638-L1654 WeakPolarHBondContact O-CD1 3.46Å; A1639-L1654 PolarHBondContact O-N 2.98Å; V1652-L1654 HydrophobicContact CG2-CD2 4.35Å; L1654-D1656 PolarHBondContact O-N 2.93Å
1655S89Confident84.5Confident2 Ų251.9 Ų51.91%0.01430%0.298CS..EExtended strand (participates in β ladder)trans-72113.2179.3-68.90000110.5F1337 I1338 R1340 L1653 M1657 D1662F1337-S1655 CarbonylContact C-O 3.57Å; F1337-S1655 VanDerWaalsContact CA-O 3.25Å; F1337-S1655 WeakPolarHBondContact CA-O 3.41Å; I1338-S1655 PolarHBondContact N-O 2.76Å; I1338-S1655 PolarHBondContact O-N 3.2Å; R1340-S1655 VanDerWaalsContact CZ-OG 3.27Å; R1340-S1655 PolarHBondContact NE-OG 3.25Å; R1340-S1655 PolarHBondContact NH2-OG 3.4Å; L1653-S1655 WeakPolarHBondContact CD2-OG 3.36Å; L1653-S1655 PolarHBondContact O-N 2.75Å; S1655-M1657 PolarHBondContact O-N 2.88Å; S1655-D1662 WeakPolarHBondContact CA-OD1 3.5Å; S1655-D1662 WeakPolarHBondContact CB-OD1 3.23Å; S1655-D1662 PolarHBondContact OG-OD1 3.2Å
1656D86.4Confident83.9Confident26 Ų2653 Ų5314%0.13931%0.305CS..EExtended strand (participates in β ladder)trans-69.2124.1174.5-168.7-39.1000109.7A1336 F1337 Y1603 L1654 L1658 A1659A1336-D1656 WeakPolarHBondContact O-CA 3.38Å; F1337-D1656 HydrophobicContact CD1-CB 4.08Å; F1337-D1656 HydrophobicContact CE1-CB 3.86Å; Y1603-D1656 WeakPolarHBondContact CD2-OD2 3.36Å; Y1603-D1656 WeakPolarHBondContact CE2-OD2 3.39Å; L1654-D1656 PolarHBondContact O-N 2.93Å; D1656-L1658 PolarHBondContact O-N 3Å; D1656-L1658 WeakPolarHBondContact OD1-CB 3.13Å; D1656-L1658 PolarHBondContact OD1-N 3.1Å; D1656-A1659 HydrophobicContact CB-CB 4Å; D1656-A1659 PolarHBondContact O-N 3.34Å
1657M83Confident83.3Confident79 Ų7950 Ų5039%0.38928%0.278SS..THydrogen-bonded Turntrans-70.4-11.6-177.8-54.8-159.2-3300114K1335 A1336 I1338 S1655K1335-M1657 HydrophobicContact CB-CE 3.49Å; K1335-M1657 VanDerWaalsContact CB-CE 3.49Å; K1335-M1657 HydrophobicContact CB-SD 3.57Å; K1335-M1657 VanDerWaalsContact CB-SD 3.57Å; K1335-M1657 HydrophobicContact CD-CE 4.17Å; K1335-M1657 HydrophobicContact CD-SD 3.62Å; K1335-M1657 HydrophobicContact CG-CE 4.5Å; K1335-M1657 HydrophobicContact CG-SD 4.27Å; A1336-M1657 PolarHBondContact O-N 3.31Å; I1338-M1657 HydrophobicContact CD1-CG 3.9Å; I1338-M1657 HydrophobicContact CD1-SD 3.8Å; I1338-M1657 HydrophobicContact CG1-CG 3.8Å; I1338-M1657 HydrophobicContact CG1-SD 3.76Å; S1655-M1657 PolarHBondContact O-N 2.88Å
1658L79.2Confident82.1Confident134 Ų13452.6 Ų52.670%0.70228%0.284SS*.THydrogen-bonded Turntrans-102.5-5.8177-56.6-179000112.4D1656D1656-L1658 PolarHBondContact O-N 3Å; D1656-L1658 WeakPolarHBondContact OD1-CB 3.13Å; D1656-L1658 PolarHBondContact OD1-N 3.1Å
1659A76.7Confident80.1Confident52 Ų5255.6 Ų55.643%0.4330%0.301SS..  trans-74.5133.6169.400000110D1656 D1661D1656-A1659 HydrophobicContact CB-CB 4Å; D1656-A1659 PolarHBondContact O-N 3.34Å; A1659-D1661 PolarHBondContact O-N 3.49Å
1660V72.3Confident77.3Confident153 Ų15358.8 Ų58.893%0.92732%0.323SS*.SBendtrans-67.2-25.2174.6-179.50000111.4
1661D75.1Confident74.3Confident109 Ų10964.6 Ų64.658%0.58336%0.363SS*.SBendtrans-147.8130.7-167.1-138.5-3.6000109.3K1362 A1659K1362-D1661 IonicContact NZ-OD1 2.74Å; K1362-D1661 PolarHBondContact NZ-OD1 2.94Å; K1362-D1661 IonicContact NZ-OD2 2.91Å; K1362-D1661 PolarHBondContact NZ-OD2 3.37Å; A1659-D1661 PolarHBondContact O-N 3.49Å
1662D80.7Confident71.1Confident38 Ų3870.2 Ų70.220%0.20340%0.398CS..  trans-75.1150.8178.3-90.8-70.1000112R1340 L1653 S1655 M1664R1340-D1662 IonicContact CZ-OD2 2.84Å; R1340-D1662 IonicContact NH1-OD1 3.81Å; R1340-D1662 IonicContact NH1-OD2 3.23Å; R1340-D1662 PolarHBondContact NH1-OD2 3.1Å; R1340-D1662 IonicContact NH2-OD2 3.91Å; R1340-D1662 PolarHBondContact NH2-OD2 3.03Å; L1653-D1662 HydrophobicContact CD2-CB 4.3Å; S1655-D1662 WeakPolarHBondContact CA-OD1 3.5Å; S1655-D1662 WeakPolarHBondContact CB-OD1 3.23Å; S1655-D1662 PolarHBondContact OG-OD1 3.2Å; D1662-M1664 VanDerWaalsContact C-N 3.26Å; D1662-M1664 PolarHBondContact O-N 3.38Å
1663V81.6Confident68Low70 Ų7081.8 Ų81.842%0.42444%0.441SS..SBendtrans-66.4-29.9177.7-178.40000112V1359 A1639V1359-V1663 HydrophobicContact CB-CG1 4.49Å; V1359-V1663 HydrophobicContact CG1-CG1 4.33Å; V1359-V1663 HydrophobicContact CG2-CG1 3.99Å; A1639-V1663 HydrophobicContact CB-CG2 4.16Å
1664M87Confident64.8Low0 Ų088.6 Ų88.60%048%0.478CS..SBendtrans-135.5142.5178.2-65.9-64-56.400109.7L1342 V1359 K1362 F1365 V1378 L1640 L1653 D1662L1342-M1664 HydrophobicContact CD1-CB 4.27Å; L1342-M1664 HydrophobicContact CD1-CG 4.37Å; V1359-M1664 HydrophobicContact CB-SD 4.43Å; V1359-M1664 HydrophobicContact CG1-SD 3.7Å; V1359-M1664 HydrophobicContact CG2-CG 4.44Å; V1359-M1664 HydrophobicContact CG2-SD 3.9Å; K1362-M1664 CarbonylContact O-C 3.55Å; K1362-M1664 WeakPolarHBondContact O-CA 3.4Å; K1362-M1664 WeakPolarHBondContact O-CE 3.49Å; F1365-M1664 HydrophobicContact CD1-CE 3.8Å; F1365-M1664 HydrophobicContact CD1-SD 4.49Å; V1378-M1664 HydrophobicContact CG2-CE 3.59Å; L1640-M1664 HydrophobicContact CD1-CG 4.37Å; L1640-M1664 HydrophobicContact CD2-CG 4.08Å; L1653-M1664 HydrophobicContact CD1-CB 4.24Å; L1653-M1664 HydrophobicContact CD2-CB 4.4Å; L1653-M1664 WeakPolarHBondContact CD2-O 3.42Å; D1662-M1664 VanDerWaalsContact C-N 3.26Å; D1662-M1664 PolarHBondContact O-N 3.38Å
1665N82.4Confident61.8Low63 Ų6395.2 Ų95.234%0.33751%0.51SS..  trans-66.8142.4166.5-67.7-28.5000109.8K1362 D1363K1362-N1665 PolarHBondContact O-N 3.19Å; D1363-N1665 WeakPolarHBondContact OD1-CB 3.49Å; D1363-N1665 PolarHBondContact OD1-ND2 3.47Å
1666T72.9Confident59Low34 Ų3499.1 Ų99.121%0.20953%0.531CS..  trans-105.3131.317754.10000111.1R1340 L1342 L1653 F1668R1340-T1666 HydrophobicContact CB-CG2 3.96Å; R1340-T1666 VanDerWaalsContact CD-CG2 3.45Å; R1340-T1666 HydrophobicContact CG-CG2 4.35Å; L1342-T1666 HydrophobicContact CD2-CG2 3.71Å; L1653-T1666 HydrophobicContact CD2-CG2 3.64Å; T1666-F1668 PolarHBondContact O-N 3.01Å
1667P65.3Low56.4Low27 Ų27101.6 Ų101.618%0.17554%0.542CS..  trans-68.5121.1-171.527.7-33.9000111.2V1292 V1378V1292-P1667 HydrophobicContact CB-CG 4.5Å; V1292-P1667 HydrophobicContact CG1-CB 4.47Å; V1292-P1667 HydrophobicContact CG1-CG 3.89Å; V1292-P1667 HydrophobicContact CG2-CG 3.77Å; V1378-P1667 HydrophobicContact CG1-CG 4.21Å
1668F52.7Low54.1Low184 Ų184101.9 Ų101.981%0.80755%0.545SS*.  trans-104.3107.3-175.2-134.1-84.8000110.3T1666T1666-F1668 PolarHBondContact O-N 3.01Å
1669M42.1Very low51.7Low142 Ų14298.2 Ų98.270%0.753%0.53SS*.  trans-91.4110.6171.3-69.6-15476.100110.9
1670V33.2Very low49.7Very low112 Ų112101.6 Ų101.668%0.67955%0.551SS**  trans-66.7140.4169.2177.80000109.4T1672V1670-T1672 VanDerWaalsContact C-N 3.31Å; V1670-T1672 PolarHBondContact O-N 2.64Å
1671S26.8Very low47.8Very low124 Ų124101.2 Ų101.287%0.86754%0.537SS*.  trans-77.570.6-176.5-720000113.6
1672T27.1Very low45.5Very low120 Ų120108.2 Ų108.274%0.73656%0.555SS**  trans-99.389.5169.738.10000111.8V1670 N1674V1670-T1672 VanDerWaalsContact C-N 3.31Å; V1670-T1672 PolarHBondContact O-N 2.64Å; T1672-N1674 PolarHBondContact O-N 3.23Å; T1672-N1674 VanDerWaalsContact O-N 3.09Å
1673R27Very low43Very low243 Ų243118 Ų11892%0.91759%0.589SS**  trans-74.486.5162.6-80.1-175.7172.8176-1.2109.9
1674N27.5Very low40.4Very low144 Ų144122.4 Ų122.477%0.7760%0.603SS**  trans174.6157.1148.7-91.3-19.2000110.8T1672T1672-N1674 PolarHBondContact O-N 3.23Å; T1672-N1674 VanDerWaalsContact O-N 3.09Å
1675M30.2Very low37.5Very low144 Ų144131.7 Ų131.771%0.70964%0.639SS**  trans64.6111.9-175.9-50.8-69.386.800112.8
1676N30.6Very low35Very low84 Ų84131.7 Ų131.745%0.44964%0.644SS.*  55.4106.875.9-67.2-3.7000112.7
1677Q30.9Very low32.8Very low78 Ų78134.4 Ų134.436%0.36466%0.656SS.*  25.5117.9128.3-69.5158.8-23.500116.5A964 C968A964-Q1677 HydrophobicContact CB-CB 3.52Å; A964-Q1677 WeakPolarHBondContact CB-O 3.26Å; A964-Q1677 PolarHBondContact O-OE1 3Å; C968-Q1677 HydrophobicContact CB-CG 4.39Å; C968-Q1677 PolarHBondContact SG-NE2 2.84Å; C968-Q1677 VanDerWaalsContact SG-NE2 3.44Å
1678D34.1Very low31.1Very low85 Ų85138 Ų13846%0.45567%0.673SS.*  -156.8173.6110.9-139.4-31.7000111.2V963 A964 V967V963-D1678 WeakPolarHBondContact CB-OD2 3.49Å; V963-D1678 VanDerWaalsContact CG1-OD2 3.24Å; V963-D1678 WeakPolarHBondContact CG1-OD2 3.44Å; A964-D1678 PolarHBondContact N-OD2 3.36Å; A964-D1678 VanDerWaalsContact N-OD2 3.17Å; V967-D1678 VanDerWaalsContact CG2-OD1 3.24Å; V967-D1678 WeakPolarHBondContact CG2-OD1 3.2Å
1679S30.7Very low30.1Very low56 Ų56130.6 Ų130.639%0.39264%0.643SS.*  trans-131.4147.6-175.580.60000113.3V967V967-S1679 WeakPolarHBondContact CG1-OG 3.47Å
1680S33.8Very low29.5Very low124 Ų124128.2 Ų128.287%0.86763%0.633SS**  trans-135.8130.5162.7-162.30000113.1
1681K32.2Very low29.5Very low144 Ų144123.9 Ų123.963%0.62661%0.607SS**  trans-72.8128.2-165.8-61.8156.3171.71780112.2E805E805-K1681 IonicContact OE1-NZ 2.78Å; E805-K1681 PolarHBondContact OE1-NZ 2.91Å
1682R28Very low29.9Very low256 Ų256125.4 Ų125.497%0.96660%0.601SS**  trans-143.9132.6142.7-113.5176.4-170.8-164.21.9112.3
1683R26.5Very low30.3Very low244 Ų244124.6 Ų124.692%0.92159%0.589SS**  trans-84135.7-163.3-60.1166.7173.3155.4-5.7112.7
1684K27.8Very low30.8Very low163 Ų163119.4 Ų119.471%0.70958%0.575SS**  -176.8134.8126.6-102.6-180179.1-171.20111S1686K1684-S1686 PolarHBondContact O-N 2.82Å
1685Y25.8Very low31.2Very low195 Ų195119.2 Ų119.277%0.76557%0.567SS**  trans-4.2103.1169.5-52.2-82.3000118.2I1384I1384-Y1685 WeakPolarHBondContact CG2-O 3.23Å
1686S29.4Very low31.5Very low63 Ų63118 Ų11844%0.44156%0.563SS.*  trans-130.4117.6161.251.40000110.1A1383 K1684 L1688A1383-S1686 CarbonylContact O-C 3.45Å; K1684-S1686 PolarHBondContact O-N 2.82Å; S1686-L1688 PolarHBondContact O-N 3.39Å
1687I27.8Very low31.8Very low90 Ų90123.7 Ų123.746%0.46258%0.578SS.*  trans-91.789.6-172.3-57.9171.6000108.9A1383 R1385 V1689A1383-I1687 CarbonylContact O-C 3.58Å; A1383-I1687 VanDerWaalsContact O-C 3.28Å; A1383-I1687 PolarHBondContact O-N 3.18Å; R1385-I1687 HydrophobicContact CB-CB 4.15Å; R1385-I1687 HydrophobicContact CB-CD1 4.11Å; R1385-I1687 HydrophobicContact CB-CG2 4.31Å; I1687-V1689 HydrophobicContact CG2-CG2 3.99Å; I1687-V1689 PolarHBondContact O-N 3.37Å
1688L28.4Very low32.2Very low102 Ų102129.1 Ų129.153%0.53460%0.601SS.*  trans-65.197.5166.8-95.1164.3000109.9L1348 S1686 L1690L1348-L1688 HydrophobicContact CD2-CD2 4.02Å; S1686-L1688 PolarHBondContact O-N 3.39Å; L1688-L1690 PolarHBondContact O-N 3.22Å
1689V33.4Very low32.2Very low30 Ų30128 Ų12818%0.18260%0.599CS.*  trans-72.799.3177.91710000110.6F1350 F1374 I1687 S1691F1350-V1689 HydrophobicContact CD1-CB 4Å; F1350-V1689 HydrophobicContact CD1-CG1 4.38Å; F1350-V1689 HydrophobicContact CE1-CB 4.3Å; F1374-V1689 HydrophobicContact CE1-CB 4.3Å; F1374-V1689 HydrophobicContact CE1-CG2 3.59Å; F1374-V1689 HydrophobicContact CZ-CG2 4.03Å; I1687-V1689 HydrophobicContact CG2-CG2 3.99Å; I1687-V1689 PolarHBondContact O-N 3.37Å; V1689-S1691 PolarHBondContact O-N 2.68Å; V1689-S1691 VanDerWaalsContact O-N 3.15Å
1690L28.1Very low32.4Very low91 Ų91131 Ų13148%0.47661%0.61SS.*  trans-75.385.8164.2-62.3173000109.2L1688L1688-L1690 PolarHBondContact O-N 3.22Å
1691S34.2Very low32.1Very low21 Ų21127.1 Ų127.115%0.14759%0.589CS.*  trans-74.8158.5175.468.40000112.1P1349 V1689 E1693P1349-S1691 WeakPolarHBondContact CB-OG 3.45Å; V1689-S1691 PolarHBondContact O-N 2.68Å; V1689-S1691 VanDerWaalsContact O-N 3.15Å; S1691-E1693 VanDerWaalsContact C-N 3.3Å; S1691-E1693 PolarHBondContact O-N 3.06Å
1692E34.8Very low32Very low156 Ų156127.3 Ų127.373%0.72959%0.586SS**THydrogen-bonded Turntrans-73-4.2-142.5-57.3-169.6108.100117.8E1694 K1695E1692-E1694 VanDerWaalsContact C-N 3.33Å; E1692-E1694 PolarHBondContact O-N 3.11Å; E1692-K1695 WeakPolarHBondContact O-CB 3.46Å; E1692-K1695 PolarHBondContact O-N 3.06Å; E1692-K1695 VanDerWaalsContact O-N 3.12Å
1693E35.9Very low32Very low104 Ų104124.5 Ų124.549%0.48658%0.581SS.*Hα-helixtrans-67.9-28-173.9-70.6-168.5178.200114.2R1352 S1691 K1695 L1696R1352-E1693 IonicContact CZ-OE1 2.7Å; R1352-E1693 IonicContact NH1-OE1 2.7Å; R1352-E1693 PolarHBondContact NH1-OE1 3.03Å; R1352-E1693 IonicContact NH1-OE2 2.78Å; R1352-E1693 IonicContact NH2-OE1 2.69Å; S1691-E1693 VanDerWaalsContact C-N 3.3Å; S1691-E1693 PolarHBondContact O-N 3.06Å; E1693-K1695 VanDerWaalsContact C-N 3.27Å; E1693-K1695 PolarHBondContact O-N 2.81Å; E1693-L1696 PolarHBondContact O-N 3.31Å; E1693-L1696 VanDerWaalsContact O-N 3.16Å
1694E36.4Very low32.3Very low133 Ų133117.5 Ų117.562%0.62157%0.569SS**Hα-helixtrans-68.2-28.1174.5-64.7-149.8115.300112.6E1692 L1696 R1697E1692-E1694 VanDerWaalsContact C-N 3.33Å; E1692-E1694 PolarHBondContact O-N 3.11Å; E1694-L1696 PolarHBondContact O-N 3.08Å; E1694-R1697 PolarHBondContact O-N 3.4Å
1695K37.5Very low32.4Very low140 Ų140116.6 Ų116.661%0.60957%0.571SS**Hα-helixtrans-71.4-17.2174.1-67.1-178.1179.4175.70112.5E1692 E1693E1692-K1695 WeakPolarHBondContact O-CB 3.46Å; E1692-K1695 PolarHBondContact O-N 3.06Å; E1692-K1695 VanDerWaalsContact O-N 3.12Å; E1693-K1695 VanDerWaalsContact C-N 3.27Å; E1693-K1695 PolarHBondContact O-N 2.81Å
1696L36.4Very low32.5Very low119 Ų119115.1 Ų115.162%0.62357%0.573SS**Hα-helixtrans-88.3-17.9177.3-12574.4000114.3E1693 E1694 K1698E1693-L1696 PolarHBondContact O-N 3.31Å; E1693-L1696 VanDerWaalsContact O-N 3.16Å; E1694-L1696 PolarHBondContact O-N 3.08Å; L1696-K1698 VanDerWaalsContact C-N 3.29Å; L1696-K1698 PolarHBondContact O-N 3.47Å
1697R36.5Very low32.5Very low203 Ų203118.3 Ų118.377%0.76658%0.584SS**THydrogen-bonded Turntrans-81.47.2-171.8-72.3-175.2179.1-176.12.2115.8E1694E1694-R1697 PolarHBondContact O-N 3.4Å
1698K37.9Very low32.4Very low193 Ų193115.2 Ų115.284%0.83957%0.57SS**THydrogen-bonded Turntrans-114.62.2177.8-79-178.9176.8173.60115.7L1696L1696-K1698 VanDerWaalsContact C-N 3.29Å; L1696-K1698 PolarHBondContact O-N 3.47Å
1699S34.2Very low32.4Very low61 Ų61110.4 Ų110.443%0.42755%0.545SS..SBendtrans-140.117.9-177.561.30000116.2M611M611-S1699 WeakPolarHBondContact CE-O 3.3Å
1700I34.6Very low32.3Very low120 Ų120109.8 Ų109.862%0.61554%0.542SS*.  trans-125.382.7162.3-54.2-176.7000110.2
1701G28.4Very low32.4Very low41 Ų41107.2 Ų107.242%0.42353%0.531SS..  trans-92.6175.5154.200000111.5M611M611-G1701 WeakPolarHBondContact CE-O 3.47Å
1702R29.8Very low32.4Very low149 Ų149109.8 Ų109.856%0.56254%0.543SS*.SBendtrans68.1120.4-180-52.1-172.5-178.5-140.30.3114D605 T608D605-R1702 IonicContact OD1-NH2 3.54Å; T608-R1702 PolarHBondContact OG1-NE 2.81Å; T608-R1702 PolarHBondContact OG1-NH2 3.28Å
1703K27.9Very low32.2Very low197 Ų197104.4 Ų104.486%0.85752%0.518SS*.SBendtrans68.8113.6-157.7-52.3168.6-177.3171.90111.4
1704S33.6Very low32.1Very low97 Ų97104.3 Ų104.368%0.67853%0.529SS*.  cis-133.9122.15.4174.80000107.6
1705L30Very low32Very low143 Ų143106.3 Ų106.375%0.74954%0.538SS*.  44.410899.6-65.1163.1000111.9
1706M27.4Very low32Very low164 Ų164105 Ų10581%0.80854%0.536SS*.  41.291.570.9-78.1-164.371.300113
1707I29.4Very low31.6Very low131 Ų131104.1 Ų104.167%0.67254%0.536SS*.  trans-136.981159.1-62.1179.7000103.5G1709I1707-G1709 WeakPolarHBondContact CG2-O 3.4Å
1708S26.6Very low31.4Very low25 Ų25102 Ų10218%0.17553%0.534CS..  59.8-160.491.275.60000112.2R49 E59 S1711R49-S1708 PolarHBondContact NH2-O 2.99Å; E59-S1708 VanDerWaalsContact CD-CB 3.49Å; E59-S1708 WeakPolarHBondContact OE1-CB 3.1Å; S1708-S1711 WeakPolarHBondContact CB-OG 3.37Å; S1708-S1711 PolarHBondContact OG-OG 3.37Å
1709G28.5Very low31Very low1 Ų1101 Ų1011%0.0154%0.535CS..SBendtrans-69.9-144.6154.700000109I1707I1707-G1709 WeakPolarHBondContact CG2-O 3.4Å
1710P31.2Very low30.8Very low16 Ų16101.2 Ų101.210%0.10455%0.547CS..  -58.9158.2117.136.3-38.4000109R49 A55R49-P1710 VanDerWaalsContact C-CD 3.44Å; R49-P1710 HydrophobicContact CG-CG 4.42Å; R49-P1710 VanDerWaalsContact O-CD 3.31Å; R49-P1710 WeakPolarHBondContact O-CD 3.37Å; R49-P1710 WeakPolarHBondContact O-CG 3.33Å; A55-P1710 CarbonylContact C-O 3.51Å; A55-P1710 VanDerWaalsContact C-O 3.27Å; A55-P1710 WeakPolarHBondContact CA-O 3.4Å; A55-P1710 VanDerWaalsContact CB-C 3.43Å; A55-P1710 HydrophobicContact CB-CB 3.48Å; A55-P1710 VanDerWaalsContact CB-CB 3.48Å; A55-P1710 HydrophobicContact CB-CG 3.27Å; A55-P1710 VanDerWaalsContact CB-O 3.27Å; A55-P1710 WeakPolarHBondContact CB-O 3.47Å
1711S29.5Very low30.8Very low37 Ų37102.1 Ų102.126%0.25956%0.56SS.*  trans-165.462.2161390000108.1E59 S1708E59-S1711 WeakPolarHBondContact OE2-CB 3.25Å; E59-S1711 PolarHBondContact OE2-OG 3.2Å; S1708-S1711 WeakPolarHBondContact CB-OG 3.37Å; S1708-S1711 PolarHBondContact OG-OG 3.37Å
1712N33.1Very low31Very low75 Ų75103.5 Ų103.540%0.40158%0.575SS.*  179.1167.452.450.347.8000113.5K52 A55 N56K52-N1712 HydrophobicContact CB-CB 3.85Å; K52-N1712 HydrophobicContact CD-CB 3.73Å; K52-N1712 HydrophobicContact CG-CB 3.54Å; K52-N1712 PolarHBondContact NZ-OD1 3.28Å; A55-N1712 HydrophobicContact CB-CB 4.18Å; N56-N1712 PolarHBondContact ND2-ND2 3.49Å; N56-N1712 WeakPolarHBondContact OD1-CB 3.34Å; N56-N1712 PolarHBondContact OD1-ND2 3.16Å
1713F31.7Very low31.1Very low43 Ų43106.1 Ų106.119%0.18959%0.594CS.*  trans-42.7144.4173.7-79.3-57.4000111.9E51 K52 I1716E51-F1713 HydrophobicContact CB-CD1 4.04Å; E51-F1713 HydrophobicContact CB-CD2 4.21Å; E51-F1713 HydrophobicContact CB-CE1 3.63Å; E51-F1713 HydrophobicContact CB-CE2 3.75Å; E51-F1713 HydrophobicContact CB-CG 4.31Å; E51-F1713 HydrophobicContact CB-CZ 3.43Å; E51-F1713 VanDerWaalsContact CB-CZ 3.43Å; E51-F1713 HydrophobicContact CG-CE1 3.88Å; E51-F1713 HydrophobicContact CG-CZ 3.88Å; E51-F1713 WeakPolarHBondContact OE1-CE1 3.37Å; E51-F1713 WeakPolarHBondContact OE2-CE1 3.4Å; E51-F1713 VanDerWaalsContact OE2-CZ 3.25Å; E51-F1713 WeakPolarHBondContact OE2-CZ 3.49Å; K52-F1713 HydrophobicContact CB-CB 3.53Å; K52-F1713 HydrophobicContact CB-CD2 3.69Å; K52-F1713 HydrophobicContact CB-CG 4Å; K52-F1713 HydrophobicContact CG-CB 3.51Å; K52-F1713 HydrophobicContact CG-CG 4.49Å; K52-F1713 VanDerWaalsContact CG-N 3.28Å; K52-F1713 WeakPolarHBondContact CG-O 3.43Å; K52-F1713 PolarHBondContact NZ-O 3.27Å; F1713-I1716 HydrophobicContact CD1-CD1 4.29Å; F1713-I1716 HydrophobicContact CD1-CG1 3.88Å; F1713-I1716 HydrophobicContact CE1-CD1 3.68Å; F1713-I1716 HydrophobicContact CE1-CG1 3.47Å; F1713-I1716 VanDerWaalsContact CE1-CG1 3.47Å; F1713-I1716 HydrophobicContact CE2-CD1 4.12Å; F1713-I1716 HydrophobicContact CZ-CD1 3.64Å; F1713-I1716 HydrophobicContact CZ-CG1 3.99Å
1714S33.6Very low31.4Very low103 Ų10399.5 Ų99.572%0.7258%0.582SS**  -166.759.2127.952.30000109.2
1715H35.1Very low31.2Very low175 Ų175102.3 Ų102.381%0.8159%0.588SS**  trans-169.442.9175.8-120.5-135.7000111.2
1716I36.5Very low31.3Very low112 Ų112102.7 Ų102.757%0.57459%0.585SS**  -44.6121.4109.8-48.6178000111.4F1713F1713-I1716 HydrophobicContact CD1-CD1 4.29Å; F1713-I1716 HydrophobicContact CD1-CG1 3.88Å; F1713-I1716 HydrophobicContact CE1-CD1 3.68Å; F1713-I1716 HydrophobicContact CE1-CG1 3.47Å; F1713-I1716 VanDerWaalsContact CE1-CG1 3.47Å; F1713-I1716 HydrophobicContact CE2-CD1 4.12Å; F1713-I1716 HydrophobicContact CZ-CD1 3.64Å; F1713-I1716 HydrophobicContact CZ-CG1 3.99Å
1717T29Very low31.8Very low100 Ų100102.9 Ų102.961%0.61358%0.582SS**  158.6116.1127.5450000110.6
1718H32.3Very low32Very low158 Ų158103.3 Ų103.373%0.73158%0.581SS**  173.1108.6126.5-102.9-79.8000112.1
1719M29.2Very low32.1Very low172 Ų172109.4 Ų109.485%0.84761%0.607SS**  trans58.6152.8149.8-44.3-51.1162.900119.5
1720G28.6Very low32.1Very low67 Ų67115.3 Ų115.369%0.69164%0.637SS**  cis-163.9-178.2200000112.1
1721P36.2Very low32.4Very low138 Ų138122.1 Ų122.190%0.89667%0.671SS**  trans-115.9174-154.141.7-34.4000116.9
1722G30.7Very low32.8Very low71 Ų71127 Ų12773%0.73269%0.694SS**  trans104153.4161.800000116
1723E32.2Very low32.3Very low203 Ų203129.2 Ų129.295%0.94971%0.706SS**  cis-167149.1-17.1-149.8166.2-130.200110.3
1724G34.2Very low32.1Very low59 Ų59134.5 Ų134.561%0.60874%0.736SS**  trans106.2129.8156.300000120.6
1725I30.8Very low31.9Very low156 Ų156137.7 Ų137.780%0.874%0.739SS**  66.8129.8127.6-60.3164.7000118
1726E31.7Very low31.5Very low150 Ų150134.8 Ų134.870%0.70174%0.739SS**  cis-172.5178.2-17-117.8165.5-150.300107.4
1727F37.6Very low31.2Very low169 Ų169137.9 Ų137.974%0.74175%0.751SS**  trans65.2143.9179.6-64.7-103.1000116
1728Q33Very low31.4Very low139 Ų139138 Ų13865%0.6575%0.753SS**  cis-165.4144.9-22.9-114.4-167.3-38.800105.6
1729Q30.2Very low31.1Very low153 Ų153139.6 Ų139.672%0.71576%0.758SS**  cis-154.6169-18.5-138.3162.9900109
1730L27Very low31Very low125 Ų125137.1 Ų137.165%0.65475%0.752SS**  trans-24154.1165.7-80.782.2000116.6
1731I38.5Very low31.1Very low159 Ų159138.8 Ų138.882%0.81575%0.749SS**  -130.910458.5-62.1172.2000113.6
1732D36.9Very low30.7Very low139 Ų139138.7 Ų138.774%0.74374%0.741SS**  trans-76.7168.2131.8-95.3-55.7000109.2
1733L23.7Very low30.8Very low122 Ų122139.2 Ų139.264%0.63973%0.731SS**  trans94.3139-170.4-55.2159.2000112.1
1734N27.8Very low30.6Very low154 Ų154139.5 Ų139.582%0.82472%0.723SS**  cis-118.7138.827.5-76.6-54.7000115.9
1735Q27.8Very low30.3Very low170 Ų170139.4 Ų139.479%0.79471%0.713SS**  trans-80.7140.7156.9-62.1169.4-8.300109.6
1736S27.6Very low30.2Very low114 Ų114136.3 Ų136.380%0.79771%0.705SS**  trans-142.588.1166.150.60000113
1737H31Very low30.3Very low177 Ų177131.6 Ų131.682%0.81969%0.692SS**  trans-51.5157.5141.2-73.9-67.7000109.7
1738P32.5Very low30.2Very low102 Ų102131.3 Ų131.366%0.66269%0.693SS**  cis-144.3-176.228.841.4-21.7000117.2
1739K26.5Very low30.2Very low192 Ų192133.2 Ų133.284%0.83570%0.702SS**  trans82.1141.9162.5-61.4172.3-175.5177.20117.4
1740V27.4Very low30.4Very low121 Ų121130 Ų13073%0.73370%0.701SS**  cis174.1165-27.6127.30000105.5
1741V28.9Very low30.9Very low101 Ų101128.2 Ų128.261%0.61271%0.705SS**  trans79.2104-176.4-168.20000111.9
1742D29Very low30.6Very low137 Ų137126.9 Ų126.973%0.73370%0.704SS**  87-176.776.8-145.924.4000110.7
1743P33.1Very low30.4Very low81 Ų81124.3 Ų124.353%0.52670%0.697SS.*  -121.8-166.5-114.939.2-20.7000113.7
1744R27.7Very low30.7Very low209 Ų209124.6 Ų124.679%0.78970%0.704SS**  trans71162.5169.8-60.4167-168-178.63.3113.9
1745C27.8Very low30.9Very low58 Ų58122.4 Ų122.439%0.39270%0.696SS.*  cis-139.7171.3-28.6-99.90000103.4G6 D7G6-C1745 VanDerWaalsContact CA-O 3.26Å; G6-C1745 WeakPolarHBondContact CA-O 3.33Å; G6-C1745 PolarHBondContact N-O 2.82Å; D7-C1745 VanDerWaalsContact OD2-C 3.22Å; D7-C1745 VanDerWaalsContact OD2-O 3.04Å
1746S29.5Very low31.2Very low90 Ų90121.4 Ų121.463%0.62969%0.689SS**  cis75.186.327.490.20000114.8D7D7-S1746 WeakPolarHBondContact OD1-CA 3.35Å; D7-S1746 PolarHBondContact OD1-N 3.06Å; D7-S1746 PolarHBondContact OD2-N 3.26Å
1747A32.5Very low31.5Very low52 Ų52121.4 Ų121.443%0.4368%0.677SS.*  trans166.7150.2134.800000110.8D7D7-A1747 VanDerWaalsContact CG-O 3.26Å; D7-A1747 PolarHBondContact OD1-N 3.4Å; D7-A1747 PolarHBondContact OD2-N 3.44Å
1748E35.5Very low31.5Very low163 Ų163120.8 Ų120.876%0.76267%0.674SS**  cis-155.1143-15-112.4145.5-158.300105.1
1749E33.6Very low31.6Very low178 Ų178120.3 Ų120.383%0.83267%0.673SS**  42.6101.5101.1-54.7-159.5150.800113.2
1750A34.6Very low32Very low85 Ų85116.1 Ų116.170%0.70267%0.668SS**  89.1111.861.900000114
1751A36.3Very low32.4Very low89 Ų89116.3 Ų116.374%0.73667%0.669SS**  trans67.9-173130.300000118.2
1752T33.4Very low32.6Very low131 Ų131116 Ų11680%0.80467%0.672SS**  trans76.5144.1172.5770000117.7
1753S31.5Very low32.8Very low85 Ų85115.1 Ų115.159%0.59467%0.671SS**  cis-170.1158.8-30580000109.6
1754T31.7Very low33Very low127 Ų127119.4 Ų119.478%0.77968%0.684SS**  trans64.8173.2157.472.50000114.4
1755V31.7Very low33.2Very low109 Ų109114.2 Ų114.266%0.66168%0.68SS**  cis-159.7172.613.2680000110.8
1756K33.3Very low33.5Very low148 Ų148116.3 Ų116.364%0.64370%0.701SS**  trans73.6153.4154.3-68.8174.3168.7-81.20117.6
1757E33.5Very low33.7Very low115 Ų115116.2 Ų116.254%0.53771%0.706SS.*  cis-156.7141.2-14.1-116.7164.9176.500110.8
1758Q32.7Very low33.7Very low164 Ų164118.6 Ų118.677%0.76672%0.719SS**  65.7151.6106.1-83.5177.644.500117.6
1759S34.1Very low33.6Very low92 Ų92114.7 Ų114.764%0.64371%0.71SS**  cis-165.1-179.54.246.70000113.7
1760S35.1Very low33.6Very low103 Ų103115.1 Ų115.172%0.7271%0.71SS**  trans83.6156.3155.185.70000116.6
1761T34.5Very low33.5Very low125 Ų125117.1 Ų117.177%0.76771%0.708SS**  cis-170.8158.4-20.821.20000106.4
1762S33.1Very low33.3Very low96 Ų96118.2 Ų118.267%0.67171%0.706SS**  cis-169.4164.3-21.8420000106.9
1763V34.3Very low33.3Very low117 Ų117116.4 Ų116.471%0.70970%0.699SS**  171.2135.297.4153.90000108.7
1764H36Very low33.5Very low171 Ų171121 Ų12179%0.79271%0.708SS**  trans9.7158.2145.7-53.9-90.6000122.4
1765S32.5Very low33.6Very low101 Ų101126 Ų12671%0.70671%0.712SS**  cis177.7162.9-17.957.40000112.4
1766A35.2Very low33.9Very low101 Ų101125.8 Ų125.884%0.83571%0.713SS**  trans65.1-169.815700000120.1
1767A32.5Very low34.1Very low88 Ų88123.4 Ų123.473%0.72772%0.715SS**  -153.1168.9-84.200000114.2
1768S33.3Very low34.2Very low102 Ų102123 Ų12371%0.71373%0.725SS**  trans53.3118.3157.458.60000125.4
1769S32.2Very low34.4Very low82 Ų82120.4 Ų120.457%0.57372%0.72SS**  49.9149.6126.2-470000127.8
1770F34.2Very low34.4Very low187 Ų187123.1 Ų123.182%0.8273%0.728SS**  trans98.3113.9149.7-81.9-70.2000125.1
1771N32.5Very low34.4Very low127 Ų127122.6 Ų122.668%0.67972%0.724SS**  70.9122.8129.6-93.13.8000128.6
1772T32.8Very low34.3Very low111 Ų111125.4 Ų125.468%0.68173%0.725SS**  82.3129.5126.755.90000127.1
1773S33.6Very low34.4Very low93 Ų93126.1 Ų126.165%0.6573%0.731SS**  trans73.1154.6136.5-72.80000120.9
1774K35.2Very low34.4Very low181 Ų181125 Ų12579%0.78773%0.728SS**  cis-169.2138.5-5.2-114.8166.6-169.7170.70114.2
1775R33.2Very low34.1Very low233 Ų233124.6 Ų124.688%0.87973%0.732SS**  trans59.4174.9138.9-97.6-165.2175.1-169.4-0.5120.4
1776P38.1Very low34Very low105 Ų105122.8 Ų122.868%0.68273%0.729SS**  cis-136.9166.615.844.3-26.7000120.4
1777S37.5Very low33.9Very low98 Ų98122.4 Ų122.469%0.68572%0.72SS**  trans53.4147142.656.10000122.3
1778S35.7Very low33.9Very low105 Ų105123.4 Ų123.473%0.73472%0.722SS**  cis-171.4158.1-843.40000108
1779V36.6Very low33.8Very low111 Ų111123 Ų12367%0.67371%0.711SS**  -174.4133.673.7161.60000109.6
1780N34.6Very low33.7Very low149 Ų149123.9 Ų123.980%0.79772%0.718SS**  trans53.2165.3161.4-63.2-8.6000119.3
1781S35.4Very low33.5Very low92 Ų92121.4 Ų121.464%0.64370%0.703SS**  cis-175.2146.7-36.864.80000104.7
1782K32.5Very low33.3Very low183 Ų183118.3 Ų118.380%0.79668%0.684SS**  cis170.9148.843.3-136.6170.2-176.7-178.80105.5
1783S35Very low33.1Very low112 Ų112120.8 Ų120.878%0.78369%0.688SS**  trans55.1157.4160.7420000119.1
1784S34Very low32.9Very low93 Ų93120.6 Ų120.665%0.6569%0.687SS**  cis-169.8145.3-28.146.50000107.2
1785D29.8Very low32.5Very low162 Ų162118.2 Ų118.287%0.86668%0.682SS**  trans50.9118158.5-45.6-37.5000119.5
1786G30.3Very low32.3Very low64 Ų64111.4 Ų111.466%0.6667%0.67SS**SBendtrans166.1-11.2169.900000119.5
1787S32.3Very low31.9Very low92 Ų92117.1 Ų117.164%0.64368%0.678SS**  trans59.164.6-179.666.10000116.6R778R778-S1787 PolarHBondContact NH2-O 3.22Å
1788S32.9Very low31.5Very low110 Ų110119.8 Ų119.877%0.76969%0.691SS**  trans-7.8119.8152.152.70000115.2
1789L30.8Very low31.3Very low93 Ų93118 Ų11849%0.48769%0.688SS.*  cis61.6127.726.7-92.1176.2000115.6R778 E781R778-L1789 HydrophobicContact CG-CD2 4.3Å; E781-L1789 WeakPolarHBondContact OE2-CD2 3.39Å
1790S30.5Very low31.1Very low101 Ų101119.5 Ų119.571%0.70669%0.693SS**  trans73.9147.6141.470.40000121.6
1791R30.1Very low31.1Very low135 Ų135118.6 Ų118.651%0.50969%0.693SS.*  cis174.4146.5-14.5167172.5147.5144.318.5109.8E781E781-R1791 VanDerWaalsContact OE1-CD 3.25Å; E781-R1791 WeakPolarHBondContact OE1-CD 3.42Å; E781-R1791 IonicContact OE1-CZ 3.78Å; E781-R1791 IonicContact OE1-NE 3.12Å; E781-R1791 IonicContact OE1-NH1 2.65Å; E781-R1791 PolarHBondContact OE1-NH1 2.76Å
1792E28.6Very low31Very low61 Ų61122.8 Ų122.829%0.28570%0.702SS.*  trans63151.9153.8-79.5163.7-173.800123.9E785E785-E1792 PolarHBondContact OE1-N 2.96Å
1793E28.7Very low31.2Very low163 Ų163120.2 Ų120.276%0.76270%0.696SS**  trans59.4138.6141.7-70.4176.3178.500122.4
1794S28.4Very low31.1Very low89 Ų89120.8 Ų120.862%0.62269%0.689SS**  cis-170172.3-15.755.40000110.5
1795L28.6Very low31.1Very low131 Ų131122.6 Ų122.669%0.68669%0.691SS**  trans25.4133.1140.1-61166.3000119.3M792M792-L1795 HydrophobicContact CE-CD2 3.93Å
1796S28.2Very low31.2Very low91 Ų91124.4 Ų124.464%0.63669%0.686SS**  cis1801725.158.30000111.7
1797R29.6Very low31.2Very low225 Ų225126.2 Ų126.285%0.84968%0.684SS**  trans49119.6149.7-71.5174.1172.5-176.3-1.7120.6
1798T29.7Very low31.1Very low154 Ų154130.1 Ų130.195%0.94569%0.692SS**  176.2168.7111.928.80000111.2
1799G30.8Very low31Very low66 Ų66129.5 Ų129.568%0.6869%0.688SS**  trans12636.3140.100000122.5
1800N33.6Very low31.7Very low144 Ų144130.4 Ų130.477%0.7770%0.699SS**  trans29.7139.8134.6-66.14.6000124.3
1801T34.6Very low32.2Very low130 Ų130130.5 Ų130.580%0.79870%0.697SS**  trans67.2126.4133.4560000124.3
1802E32.7Very low32.4Very low179 Ų179133.3 Ų133.384%0.83671%0.713SS**  -155157.7126.2-98.4-150.6123.300105.7
1803I35.9Very low32.5Very low129 Ų129134.6 Ų134.666%0.66273%0.729SS**  cis-161.9174.91.1-134.2-173.1000106.8
1804L33.6Very low32.7Very low125 Ų125134.8 Ų134.865%0.65474%0.735SS**  cis-165.2114.4-3.2-178.666.9000111.2
1805L33.4Very low32.8Very low130 Ų130134.9 Ų134.968%0.68174%0.735SS**  trans66.3160.4158-55.8172.1000118.6
1806R32.8Very low33Very low200 Ų200134.2 Ų134.276%0.75574%0.741SS**  cis-160.2148-1.1-133168.6-167.2172.14.6114.2
1807T29.9Very low33.3Very low102 Ų102133.8 Ų133.863%0.62675%0.751SS**  trans42.4116.4144.6480000121
1808E29Very low33.4Very low175 Ų175132.1 Ų132.182%0.81875%0.753SS**  87.4147.670.9-83.9-169.3-123.100114.7
1809S31.8Very low34.1Very low96 Ų96130 Ų13067%0.67174%0.742SS**  cis-166.9-175.3-8.855.60000110.9
1810P45.6Very low34.3Very low113 Ų113132.1 Ų132.173%0.73475%0.746SS**  trans-106.4169.3-169.742.2-35.7000115.2
1811P40.5Very low34.6Very low102 Ų102131.4 Ų131.466%0.66275%0.747SS**  -122.6176.5128.419.21000110.7
1812F34.8Very low34.8Very low194 Ų194130.6 Ų130.685%0.85174%0.742SS**  cis-139.1172.522.3-100-69.6000114.5
1813S30.7Very low35Very low88 Ų88128.6 Ų128.662%0.61574%0.742SS**  trans-66.4162.8169.154.20000115.6
1814L33.4Very low34.9Very low168 Ų168125.6 Ų125.688%0.8874%0.743SS**  -159.817779.2-101.7167.3000115.1
1815S30.5Very low34.8Very low91 Ų91124.8 Ų124.864%0.63675%0.754SS**  trans-110.5167.3-161.861.40000116
1816S31.5Very low34.7Very low116 Ų116122.8 Ų122.881%0.81176%0.756SS**  trans57108.9145.857.90000119.7
1817G34.3Very low34.6Very low82 Ų82123 Ų12385%0.84576%0.763SS**  trans179.9136.3164.600000113.4
1818E33.6Very low34.8Very low191 Ų191122.1 Ų122.189%0.89377%0.766SS**  trans-95.1176.1177-68-173.1124.800111.7
1819P43.3Very low35Very low109 Ų109120.2 Ų120.271%0.70877%0.766SS**  cis-133.8169.7-46.736.7-22.6000112.5
1820S35.9Very low35.3Very low110 Ų110124 Ų12477%0.76977%0.773SS**  165.4128.8115.950.30000116.2
1821V38.8Very low34.8Very low129 Ų129124.8 Ų124.878%0.78278%0.781SS**  trans76.891.8134.9176.80000120.7
1822V38.5Very low34.7Very low113 Ų113123 Ų12369%0.68578%0.782SS**  96.597.5120.2169.90000121.2
1823T36.8Very low34.9Very low138 Ų138121.1 Ų121.185%0.84778%0.781SS**  trans58.2146.5136.167.10000121.8
1824G34.4Very low35.3Very low66 Ų66121.9 Ų121.968%0.6879%0.786SS**  cis-169.5143.5-1.700000110.1
1825A31.9Very low35.5Very low108 Ų108121.4 Ų121.489%0.89378%0.783SS**  79.5138.971.500000112.6
1826A31.3Very low35.9Very low87 Ų87123 Ų12372%0.71979%0.792SS**  cis-161.4147.6-6.200000108.3
1827K30.6Very low36.1Very low206 Ų206122.5 Ų122.590%0.89679%0.788SS**  37.9151.692.1-72.4-174.4177.9-179.50117
1828A33.3Very low36.1Very low83 Ų83127 Ų12769%0.68679%0.787SS**  cis173.8150.9-23.800000109
1829T34.5Very low36.1Very low135 Ų135121.4 Ų121.483%0.82877%0.774SS**  trans179.8163.7167.419.70000110.1
1830Q36.1Very low35.5Very low175 Ų175125.7 Ų125.782%0.81878%0.781SS**  -167.4173.7-51.6-125.3179.70.700110.7
1831S36.9Very low35.3Very low129 Ų129128.5 Ų128.590%0.90278%0.782SS**  trans70.1148.3176.574.30000117.5
1832G38Very low35Very low66 Ų66127.6 Ų127.668%0.6878%0.777SS**  cis-173.4159.4-6.200000115.5
1833D38.8Very low34.7Very low154 Ų154126.6 Ų126.682%0.82478%0.775SS**  trans57.3108.2147.7-57.4-17.3000125.5
1834S39.2Very low34.5Very low104 Ų104124.3 Ų124.373%0.72776%0.764SS**  93.6162.6116.581.20000123.5
1835L36.3Very low34.6Very low157 Ų157126.4 Ų126.482%0.82277%0.769SS**  trans72.2106.8161.4-77157.6000121.2
1836P40.8Very low34.6Very low125 Ų125126.3 Ų126.381%0.81276%0.759SS**  trans-109.7130.8165.536.3-26.2000113.4
1837S34.7Very low34.6Very low106 Ų106130.2 Ų130.274%0.74176%0.76SS**  trans-163.4150.3169.169.70000113.6
1838H33.6Very low34.7Very low176 Ų176130.9 Ų130.982%0.81576%0.757SS**  trans55107172.2-70.9-81.6000117.3
1839A34.1Very low34.7Very low74 Ų74130.2 Ų130.261%0.61276%0.757SS**  78.7116.972.600000112.6
1840F31.2Very low34.7Very low198 Ų198128.1 Ų128.187%0.86875%0.745SS**  49.3104.888.7-100.1-96.1000112.4
1841Q31.8Very low34.7Very low170 Ų170127.9 Ų127.979%0.79474%0.744SS**  176.4133.8102.8-95-155.9-4200115.2
1842V31.9Very low34.7Very low109 Ų109125.5 Ų125.566%0.66173%0.731SS**  66.190.1126.6-178.70000118.6
1843S32.7Very low34.7Very low93 Ų93128.1 Ų128.165%0.6574%0.74SS**  93.6147.5111.280.40000122.4
1844S32.8Very low35Very low89 Ų89124.4 Ų124.462%0.62274%0.737SS**  trans45.7121.3132.375.90000119
1845S35.4Very low34.8Very low110 Ų110129.8 Ų129.877%0.76977%0.766SS**  43115.779.3-64.60000112.9
1846P33.6Very low34.7Very low106 Ų106128.5 Ų128.569%0.68876%0.763SS**  -146.8128.895.433.3-15.9000117
1847K30.9Very low34.4Very low170 Ų170128.6 Ų128.674%0.73976%0.761SS**  65.8125.2119.6-60.1170.3-170.8168.20120.5
1848R31.2Very low34.4Very low220 Ų220129.9 Ų129.983%0.8376%0.762SS**  52.8133115.5-53.5174-176.4-178-1.3119.9T1850R1848-T1850 HydrophobicContact CB-CG2 3.93Å
1849G33.9Very low34.4Very low68 Ų68127.2 Ų127.270%0.70176%0.759SS**  trans-172.357.2155.100000112.2
1850T35.9Very low34.4Very low91 Ų91130.5 Ų130.556%0.55877%0.768SS**  66.7146.786.264.70000116R1848R1848-T1850 HydrophobicContact CB-CG2 3.93Å
1851Q34.8Very low34.7Very low171 Ų171126 Ų12680%0.79976%0.761SS**  trans77.3145167.6-64.8173.3-17.200115.6
1852A36.7Very low34.9Very low78 Ų78122.9 Ų122.965%0.64576%0.759SS**  cis-164.6170-1600000111.1
1853S37.8Very low35.1Very low122 Ų122123.9 Ų123.985%0.85377%0.767SS**  trans51.8132.8147.959.40000120.4
1854G45.4Very low35.3Very low75 Ų75126.5 Ų126.577%0.77378%0.776SS**  trans178-48.7152.100000119.2
1855T35Very low35.5Very low218 Ų218129.9 Ų129.9100%1.33779%0.79SS**  trans-162.20-176.541.50000109.7

Retrieved 1,855 of 1,855 residues in 1091.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).