G4VC18_SCHMA Loading...

Putative cleavage and polyadenylation specificity factor cpsf

AlphaFold DB , UniProt , Accession G4VC18, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,825 aa.

>G4VC18_SCHMA|G4VC18
MNTGVDTTKPTTFSAVFKHISPPTAVDNCLYCHLTHPKLKNLVITRGGFIEIYNVKSSASGETRFNWVYGTSVYENIADIVTVRFTGDLLDSLLLSFPEAKVAVMNFNPVTFELRTLSLHNYEFENLKSGRMNFTKLPILRLDPHQRCAVMLVYDRHLAVLPFRRTEVLVSAETDPKHISVRNSLLWQQRATAPLLATFTTCLSTSTGEKINNVLDMQFLYGFYEPTLLVLYEPIGTWAGRVSARRDTCCIVALSFNLQKRTNPVIWFQESLPFDCRSVISVPQPIGGVVVMAANSILYLKQTLPSCGLPLNCYAQISTNFPMRQDVPSCGPLSIDGCRVVTLNETQFLIGTRSGNLYLLSLWLEQATQTVTSLLFHKVGHAVPPHCMVLLESKYLFIGSRFCDSVLMKIDYSLLCVDANGKEVDHQLLNQSSGTNNTLKDSELVDGKSIVEDDSDEIPNKCPRIEEGENDKTISKSLSQSTKRNTLDENDIISDNHYKFDEVDVELYGESILSPPSIYREIVNYSFKVVDRLINLGPMGQLTSGEVPCLAPGNTDPTDEALTYAQTEMHHVELMACIPRSFNVPTEKNPVSGGGVALLHTSVRPRGLTAFELPEYMSLWSLYGPPIITPVQSIPSSPVSKPSIGTNSSPTTAPNGKLEIPEIHSEEEKIDENLVEKPTELNEDTEKTIGVSESITDNDADKETSKDNEPVVNISDENEKAVVNEDNFDAESELSSDLTHSYLLLTREDSTMILEVSHEIVELEVSGFNTTEMTVGAFNLGFEYIQQVRWETNKNNNNSDNIPDQLTTIATTKLTEQNEIKSPKEYVVGVDYPYILQVSPTSLRLLDGPRLIEYVQVTLEWRIHLASCADPYILLCTEDDELFLVRLKSQDDINRFSPIKKSNNKIITSTLIDENGDQPAKSISTTHLEVIRPKVKQVSAPLCFSLYHDHSGRLTRWLWACKDLPADSSFFNLHTTASLDHLVSCPGTTSWPEPGSTTPAADTIAPFASPTEKSAPLISASEEESILLYGEPIEICKREGSVALGNSTLQLPKFSLSTTSYSSLNNSLTETNLMDDLAEEKLSKYFAFIVFTNGVLEIYSLPDFTLLYEVHHFTDLPQMLIDHRGVSSEQLHKQYTNSQNVSYTEDDSIPPPILEILVYPIGIDKDRPVLMVRTSQEIAFFEALCPSPDESYPLISGTFYEGRLRWRRLPLPCPLVAPRRVRTDPKIMDVQSTLLTRTHMLRSFENIGDHRGVFVCGGNPIWLFATDSGQLRVFPHSIDGIMGSFAPLNAKICHSGFVYFTFSNEMRLATLPPGYSFNEHLGIKWITLDPVPYYVQYHVESKTYAVVGIHSEPCKSVFRLNAEGNKEEDVLVRPKTCVLPTLDYYSLQMYAPNLNANHRNKQPPWLLIPNTLIEFEPWEVVTCLITAQLASEETFHGTKDYLALGANLTYGEEIPVRGRILILDVIDVVPEPGQPLTRHKLKIIHDGEQKGPVTALTSCQGHLISAIGQKIYIWTLKNTDLVGVAFVDSELYIHNLLCVKNLVLAADVLKSVQLLRFQSDLRVLSVVSRDNISREVYTSNFFVDGRRLGFMVSDELGNVTIYSYDPLDPSSRSGRRLVRCADMRLPSRATCSLRVANRLRHALLSVKPSSTTTASAMTAGTSATIQDSTNTVLDNLSRVDSVNQMNNLRQSQQQSTAAQQGTTNPNSGVDPEKFRQSIYFGSQNGSIYRIGPIRDKMYSRLRITEKNLIHHLGPICGMPPKSCWSYNRPQPELANPCGKVADGDLIWRYLTLPHCQRLEIAKKSGQSLESIMDDIAELIATTLHF
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.8Very low48.5Very low215 Ų215111.3 Ų111.3100%1.05966%0.655SS**  024.80-77.6168.9160.400111.5T3M1-T3 PolarHBondContact O-N 3.29Å
2N26.7Very low51.3Low161 Ų161105.8 Ų105.886%0.86162%0.624SS**  trans-103.271-156.4-60.824.5000112.3
3T32.3Very low54.3Low91 Ų9197.8 Ų97.856%0.55858%0.577SS**SBendtrans-139.4119.6163.343.10000112.3M1 V5 R1586M1-T3 PolarHBondContact O-N 3.29Å; T3-V5 PolarHBondContact O-N 3.48Å; T3-R1586 PolarHBondContact O-NH1 3.22Å; T3-R1586 PolarHBondContact OG1-NH1 3.16Å
4G35.9Very low57.1Low90 Ų9091.1 Ų91.193%0.92854%0.537SS*.SBendtrans77.6-3.6152.100000119.6D6G4-D6 PolarHBondContact O-N 2.96Å
5V45.7Very low59.6Low108 Ų10885 Ų8566%0.65550%0.501SS*.  trans-83.3117.8176-175.50000109.9T3 T7T3-V5 PolarHBondContact O-N 3.48Å; V5-T7 PolarHBondContact O-N 3.38Å
6D48.3Very low61.7Low75 Ų7579.8 Ų79.840%0.40147%0.47SS..  trans-72.591.3175.1-179.22.8000110.3G4 T8 K9G4-D6 PolarHBondContact O-N 2.96Å; D6-T8 PolarHBondContact O-N 2.88Å; D6-T8 WeakPolarHBondContact OD1-CB 3.19Å; D6-T8 PolarHBondContact OD1-N 2.99Å; D6-T8 PolarHBondContact OD1-OG1 2.64Å; D6-K9 PolarHBondContact O-N 3.35Å; D6-K9 IonicContact OD2-NZ 2.72Å; D6-K9 PolarHBondContact OD2-NZ 2.93Å
7T53.2Low63.6Low103 Ų10375.1 Ų75.163%0.63244%0.443SS*.THydrogen-bonded Turntrans-64.31.2-175.754.70000114.7V5 L1607V5-T7 PolarHBondContact O-N 3.38Å; T7-L1607 WeakPolarHBondContact O-CD1 3.3Å
8T53.8Low65.1Low112 Ų11272.7 Ų72.769%0.68743%0.426SS*.THydrogen-bonded Turntrans-83.5-14175.367.50000113.1D6D6-T8 PolarHBondContact O-N 2.88Å; D6-T8 WeakPolarHBondContact OD1-CB 3.19Å; D6-T8 PolarHBondContact OD1-N 2.99Å; D6-T8 PolarHBondContact OD1-OG1 2.64Å
9K60.4Low66.5Low140 Ų14070.5 Ų70.561%0.60941%0.411SS*.SBendtrans-104.5131.1-176-67.4178.8176.4109.50110.7D6D6-K9 PolarHBondContact O-N 3.35Å; D6-K9 IonicContact OD2-NZ 2.72Å; D6-K9 PolarHBondContact OD2-NZ 2.93Å
10P66.1Low67.8Low79 Ų7968.3 Ų68.351%0.51340%0.397SS..  trans-64.1143.2-17827.4-35.3000111.1T12 D1605P10-T12 PolarHBondContact O-N 2.86Å; P10-D1605 WeakPolarHBondContact CA-OD2 3.27Å
11T74.8Confident68.9Low50 Ų5065.3 Ų65.331%0.30738%0.38SS..  trans-64.7108.6-176.159.40000112S1603 D1605 C1620T11-S1603 WeakPolarHBondContact OG1-CB 3.38Å; T11-S1603 PolarHBondContact OG1-OG 3.42Å; T11-D1605 PolarHBondContact N-OD2 2.99Å; T11-D1605 VanDerWaalsContact N-OD2 3.12Å; T11-C1620 PolarHBondContact O-SG 2.99Å
12T81.9Confident71.4Confident46 Ų4655.8 Ų55.828%0.28233%0.334SS..  trans-87.2147.9167.264.20000111.3P10 R1587 D1735P10-T12 PolarHBondContact O-N 2.86Å; T12-R1587 PolarHBondContact O-NE 2.79Å; T12-R1587 PolarHBondContact O-NH1 2.62Å; T12-R1587 PolarHBondContact OG1-NH1 2.89Å; T12-D1735 PolarHBondContact OG1-OD1 3.17Å
13F90.1Very high74.6Confident2 Ų248.2 Ų48.21%0.00929%0.294CS..  trans-118.6142.6158.6-69.4-69.6000108.3F1582 D1584 R1587 I1601 C1620 K1779F13-F1582 HydrophobicContact CB-CD1 4.42Å; F13-F1582 HydrophobicContact CB-CE1 4.06Å; F13-F1582 AromaticContact CD1-CD1 3.62Å; F13-F1582 HydrophobicContact CD1-CD1 3.62Å; F13-F1582 AromaticContact CD1-CE1 3.69Å; F13-F1582 HydrophobicContact CD1-CE1 3.69Å; F13-F1582 AromaticContact CE1-CD1 3.99Å; F13-F1582 HydrophobicContact CE1-CD1 3.99Å; F13-F1582 HydrophobicContact CE1-CE1 4.44Å; F13-F1582 AromaticContact CG-CD1 4Å; F13-F1582 HydrophobicContact CG-CD1 4Å; F13-F1582 HydrophobicContact CG-CE1 4.06Å; F13-D1584 HydrophobicContact CD1-CB 4.08Å; F13-D1584 HydrophobicContact CE1-CB 4.06Å; F13-R1587 HydrophobicContact CE1-CB 3.51Å; F13-R1587 HydrophobicContact CZ-CB 3.94Å; F13-I1601 HydrophobicContact CB-CG2 4.36Å; F13-I1601 HydrophobicContact CD2-CG2 3.76Å; F13-I1601 HydrophobicContact CE2-CG2 4.31Å; F13-I1601 HydrophobicContact CG-CG2 4.12Å; F13-C1620 HydrophobicContact CD2-CB 3.82Å; F13-K1779 WeakPolarHBondContact O-CB 3.32Å; F13-K1779 VanDerWaalsContact O-CD 3.25Å; F13-K1779 WeakPolarHBondContact O-CD 3.39Å
14S93.5Very high77.5Confident3 Ų344.3 Ų44.32%0.02127%0.27CS..  trans-126.8140.7167-63.90000108.2I1733 D1735 K1779S14-I1733 PolarHBondContact O-N 3.34Å; S14-D1735 PolarHBondContact OG-OD1 2.74Å; S14-K1779 CarbonylContact C-O 3.56Å; S14-K1779 WeakPolarHBondContact CA-O 3.49Å
15A94.1Very high80.2Confident0 Ų040 Ų400%023%0.226CC..EExtended strand (participates in β ladder)trans-137.4163.6-174.800000112.7F1582 I1601 I1730 G1731 I1733 K1779 V1780 A1781A15-F1582 HydrophobicContact CB-CE2 4.36Å; A15-F1582 HydrophobicContact CB-CZ 3.84Å; A15-I1601 HydrophobicContact CB-CD1 4.45Å; A15-I1730 HydrophobicContact CB-CG2 3.89Å; A15-G1731 CarbonylContact C-O 3.56Å; A15-G1731 WeakPolarHBondContact CA-O 3.41Å; A15-G1731 WeakPolarHBondContact CB-O 3.18Å; A15-I1733 WeakPolarHBondContact O-CD1 3.26Å; A15-K1779 PolarHBondContact N-O 3.31Å; A15-V1780 HydrophobicContact CB-CG1 4.11Å; A15-V1780 HydrophobicContact CB-CG2 4.27Å; A15-V1780 CarbonylContact O-C 3.45Å; A15-V1780 WeakPolarHBondContact O-CA 3.37Å; A15-A1781 PolarHBondContact O-N 3.06Å
16V93.6Very high82.5Confident1 Ų134.9 Ų34.91%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-120.2131166.867.20000109.7I1730 G1731 I1733 A1781 L1818V16-I1730 WeakPolarHBondContact O-CA 3.49Å; V16-G1731 PolarHBondContact N-O 3.41Å; V16-G1731 PolarHBondContact O-N 3.3Å; V16-I1733 HydrophobicContact CB-CD1 4.31Å; V16-I1733 HydrophobicContact CB-CG2 3.96Å; V16-I1733 HydrophobicContact CG1-CG2 3.66Å; V16-A1781 WeakPolarHBondContact CA-O 3.32Å; V16-L1818 HydrophobicContact CG1-CD2 4.42Å
17F93.8Very high84.5Confident0 Ų032.5 Ų32.50%018%0.182CC..EExtended strand (participates in β ladder)trans-92.7150.2169.3163.2-95.2000109.7H19 M1623 L1625 P1626 Y1728 R1729 I1730 V1780 A1781 D1782 G1783F17-H19 AromaticContact CE1-CE1 3.75Å; F17-H19 AromaticContact CE1-ND1 3.71Å; F17-H19 AromaticContact CZ-CE1 3.6Å; F17-H19 AromaticContact CZ-ND1 3.7Å; F17-M1623 HydrophobicContact CB-CE 3.64Å; F17-M1623 HydrophobicContact CB-SD 3.87Å; F17-M1623 HydrophobicContact CD1-CE 4.2Å; F17-M1623 HydrophobicContact CD2-CE 4.12Å; F17-M1623 HydrophobicContact CD2-SD 4.27Å; F17-M1623 HydrophobicContact CG-CE 3.72Å; F17-M1623 HydrophobicContact CG-SD 4.24Å; F17-L1625 HydrophobicContact CD2-CD2 3.77Å; F17-L1625 HydrophobicContact CE2-CD2 3.53Å; F17-P1626 HydrophobicContact CZ-CG 3.97Å; F17-Y1728 AromaticContact CE2-CD1 3.74Å; F17-Y1728 HydrophobicContact CE2-CD1 3.74Å; F17-Y1728 HydrophobicContact CE2-CE1 4.5Å; F17-Y1728 AromaticContact CE2-CG 3.88Å; F17-Y1728 HydrophobicContact CE2-CG 3.88Å; F17-Y1728 AromaticContact CZ-CD1 3.89Å; F17-Y1728 HydrophobicContact CZ-CD1 3.89Å; F17-Y1728 HydrophobicContact CZ-CE1 4.36Å; F17-Y1728 HydrophobicContact CZ-CG 4.49Å; F17-R1729 CarbonylContact C-O 3.15Å; F17-R1729 WeakPolarHBondContact CA-O 3.31Å; F17-I1730 HydrophobicContact CB-CG1 4.33Å; F17-I1730 HydrophobicContact CD2-CG1 4.11Å; F17-V1780 HydrophobicContact CB-CG1 3.82Å; F17-A1781 PolarHBondContact N-O 2.95Å; F17-D1782 WeakPolarHBondContact CD1-OD1 3.11Å; F17-G1783 WeakPolarHBondContact O-CA 3.39Å; F17-G1783 PolarHBondContact O-N 2.86Å
18K91.7Very high86.5Confident33 Ų3329.1 Ų29.114%0.14316%0.16CC..EExtended strand (participates in β ladder)trans-159.3142.3172174.5155.8-171.877.60111R1729 D1784K18-R1729 PolarHBondContact N-O 3.03Å; K18-R1729 PolarHBondContact O-N 3.19Å; K18-D1784 WeakPolarHBondContact CG-OD1 3.32Å; K18-D1784 IonicContact NZ-OD1 3.84Å; K18-D1784 PolarHBondContact NZ-OD1 3.36Å
19H90.8Very high88.5Confident31 Ų3124.4 Ų24.414%0.14413%0.132CC..EExtended strand (participates in β ladder)trans-71.8127.9162.1-65.579.8000110.1F17 F49 Y1728 D1784F17-H19 AromaticContact CE1-CE1 3.75Å; F17-H19 AromaticContact CE1-ND1 3.71Å; F17-H19 AromaticContact CZ-CE1 3.6Å; F17-H19 AromaticContact CZ-ND1 3.7Å; H19-F49 AromaticContact NE2-CE2 3.9Å; H19-Y1728 AromaticContact CD2-CD1 3.89Å; H19-Y1728 AromaticContact CD2-CE1 3.56Å; H19-Y1728 AromaticContact NE2-CE1 3.58Å; H19-D1784 WeakPolarHBondContact CB-OD2 3.36Å; H19-D1784 IonicContact CE1-OD2 2.76Å; H19-D1784 IonicContact CG-OD2 2.78Å; H19-D1784 PolarHBondContact N-OD2 2.78Å; H19-D1784 IonicContact ND1-OD2 2.7Å; H19-D1784 PolarHBondContact ND1-OD2 3.21Å
20I92.1Very high90.1Very high26 Ų2619.3 Ų19.313%0.13311%0.111CC..EExtended strand (participates in β ladder)trans-98-36.5169.5-58.5-61.9000109.6T601 L1321 Y1719 I1727 R1729I20-T601 HydrophobicContact CG2-CG2 3.86Å; I20-L1321 HydrophobicContact CG2-CD2 3.99Å; I20-Y1719 HydrophobicContact CD1-CE1 4.26Å; I20-Y1719 HydrophobicContact CG1-CD1 4.23Å; I20-Y1719 HydrophobicContact CG1-CE1 3.86Å; I20-Y1719 HydrophobicContact CG2-CE1 4.32Å; I20-I1727 HydrophobicContact CB-CB 4.23Å; I20-I1727 HydrophobicContact CB-CG2 3.96Å; I20-I1727 HydrophobicContact CG2-CG2 4.23Å; I20-I1727 PolarHBondContact N-O 2.93Å; I20-R1729 HydrophobicContact CD1-CB 3.99Å; I20-R1729 HydrophobicContact CG1-CB 3.71Å
21S91.2Very high91.5Very high6 Ų617.4 Ų17.44%0.0429%0.094CC..EExtended strand (participates in β ladder)trans-132.9136.7164.1-174.60000109.5S1726 I1727S21-S1726 WeakPolarHBondContact O-CA 3.38Å; S21-I1727 PolarHBondContact N-O 2.7Å; S21-I1727 VanDerWaalsContact N-O 3.13Å; S21-I1727 PolarHBondContact O-N 2.91Å; S21-I1727 VanDerWaalsContact O-N 3.07Å
22P90.4Very high92.3Very high14 Ų1415.1 Ų15.19%0.0918%0.08CC..  trans-64.3166.8169.830.2-35.4000111.5F49 S1726P22-F49 HydrophobicContact CB-CD1 4.42Å; P22-F49 HydrophobicContact CB-CE1 4.04Å; P22-F49 HydrophobicContact CB-CZ 4.13Å; P22-S1726 WeakPolarHBondContact O-CA 3.5Å
23P92.6Very high92.8Very high3 Ų314.4 Ų14.42%0.0197%0.073CC..  trans-59.9140.9167.926.8-34.2000111.2R46 F49 N1724 S1726P23-R46 HydrophobicContact CB-CB 4.22Å; P23-R46 HydrophobicContact CG-CB 4.07Å; P23-R46 WeakPolarHBondContact CG-O 3.28Å; P23-R46 WeakPolarHBondContact O-CD 3.42Å; P23-F49 VanDerWaalsContact CD-CD2 3.43Å; P23-F49 VanDerWaalsContact CD-CE2 3.43Å; P23-F49 HydrophobicContact CG-CB 4.34Å; P23-F49 HydrophobicContact CG-CD2 3.38Å; P23-F49 HydrophobicContact CG-CE2 3.91Å; P23-F49 HydrophobicContact CG-CG 4.04Å; P23-N1724 WeakPolarHBondContact CA-O 3.34Å; P23-N1724 HydrophobicContact CB-CB 4.4Å; P23-N1724 WeakPolarHBondContact CB-ND2 3.44Å; P23-S1726 WeakPolarHBondContact CA-OG 3.26Å; P23-S1726 VanDerWaalsContact CB-OG 3.3Å; P23-S1726 WeakPolarHBondContact CB-OG 3.21Å; P23-S1726 WeakPolarHBondContact CD-OG 3.48Å
24T92.6Very high92.7Very high9 Ų914.3 Ų14.36%0.0557%0.072CC..  trans-112.6-31.3-177.158.20000112.4R46 N535 L536 N1724T24-R46 PolarHBondContact O-NE 2.83Å; T24-R46 VanDerWaalsContact O-NE 3.1Å; T24-N535 WeakPolarHBondContact OG1-CA 3.46Å; T24-N535 PolarHBondContact OG1-OD1 3.4Å; T24-L536 HydrophobicContact CG2-CG 4.45Å; T24-L536 PolarHBondContact OG1-N 2.99Å; T24-N1724 PolarHBondContact N-O 3.15Å
25A92.7Very high92.3Very high0 Ų014.8 Ų14.80%08%0.075CC..SBendtrans-65133.4178.500000111.1R46 R401 N535 N1724A25-R46 WeakPolarHBondContact O-CA 3.49Å; A25-R46 WeakPolarHBondContact O-CG 3.41Å; A25-R401 HydrophobicContact CB-CB 4.02Å; A25-R401 HydrophobicContact CB-CG 4.14Å; A25-N535 WeakPolarHBondContact CA-OD1 3.46Å; A25-N535 PolarHBondContact N-OD1 2.89Å; A25-N1724 HydrophobicContact CB-CB 3.95Å; A25-N1724 PolarHBondContact N-O 3.34Å
26V94.4Very high91.6Very high0 Ų014.8 Ų14.80%08%0.075CC..  trans-93.8121.4-176.5-178.40000110.2I44 R46 F397 S400 R401 S405V26-I44 HydrophobicContact CG1-CB 4.15Å; V26-I44 HydrophobicContact CG1-CG2 4.47Å; V26-I44 HydrophobicContact CG2-CD1 4.19Å; V26-R46 HydrophobicContact CG2-CG 4.22Å; V26-F397 HydrophobicContact CG1-CE1 4.36Å; V26-S400 PolarHBondContact N-O 2.78Å; V26-R401 WeakPolarHBondContact O-CG 3.23Å; V26-S405 WeakPolarHBondContact CG2-OG 3.44Å
27D91.7Very high91Very high25 Ų2516.5 Ų16.513%0.1349%0.086CC..  trans-90.5-44.5-179.8-73.4-67000112.3T45 G47 H386 R401D27-T45 PolarHBondContact N-O 3.21Å; D27-G47 WeakPolarHBondContact OD2-CA 3.43Å; D27-G47 PolarHBondContact OD2-N 2.96Å; D27-H386 PolarHBondContact O-CD2 2.75Å; D27-H386 VanDerWaalsContact O-CD2 3.28Å; D27-R401 WeakPolarHBondContact OD1-CD 3.46Å; D27-R401 IonicContact OD1-CZ 3.59Å; D27-R401 IonicContact OD1-NE 3.98Å; D27-R401 IonicContact OD1-NH1 2.68Å; D27-R401 PolarHBondContact OD1-NH1 3.1Å
28N94.2Very high90.4Very high32 Ų3222.5 Ų22.517%0.17111%0.113CC..EExtended strand (participates in β ladder)trans-141.9154.8178-48.9-90.1000111.7I44 T45 I80N28-I44 WeakPolarHBondContact O-CA 3.49Å; N28-T45 VanDerWaalsContact CB-OG1 3.29Å; N28-T45 WeakPolarHBondContact CB-OG1 3.29Å; N28-T45 PolarHBondContact N-OG1 3.1Å; N28-T45 VanDerWaalsContact N-OG1 3.12Å; N28-T45 PolarHBondContact ND2-OG1 3.01Å; N28-T45 PolarHBondContact O-N 3.1Å; N28-T45 PolarHBondContact O-OG1 3.2Å; N28-I80 HydrophobicContact CB-CG2 3.56Å
29C95.3Very high89.9Confident13 Ų1324.1 Ų24.19%0.08812%0.123CC..EExtended strand (participates in β ladder)trans-138.4144.4174.862.60000112.1L42 V43 I44 C387 V389 F397C29-L42 HydrophobicContact CB-CD1 4.3Å; C29-V43 CarbonylContact C-O 3.53Å; C29-V43 VanDerWaalsContact CA-O 3.31Å; C29-V43 WeakPolarHBondContact CA-O 3.33Å; C29-I44 HydrophobicContact CB-CG2 4.22Å; C29-C387 PolarHBondContact SG-SG 3.08Å; C29-V389 HydrophobicContact CB-CG1 4.12Å; C29-F397 HydrophobicContact CB-CD1 3.78Å; C29-F397 HydrophobicContact CB-CE1 3.78Å
30L94.5Very high89.8Confident32 Ų3226.6 Ų26.617%0.16813%0.133CC..EExtended strand (participates in β ladder)trans-136.8159.7174.9-68.6179.5000110.9V43 I80 L93L30-V43 HydrophobicContact CB-CB 4.46Å; L30-V43 PolarHBondContact N-O 3.18Å; L30-V43 PolarHBondContact O-N 3.2Å; L30-I80 HydrophobicContact CD1-CB 4.36Å; L30-I80 HydrophobicContact CD1-CD1 4.02Å; L30-I80 HydrophobicContact CD1-CG1 3.73Å; L30-I80 HydrophobicContact CD1-CG2 4.08Å; L30-I80 HydrophobicContact CG-CG2 4.18Å; L30-L93 HydrophobicContact CD1-CD2 4.3Å
31Y94.8Very high89.9Confident40 Ų4025.4 Ų25.416%0.15713%0.127CC..EExtended strand (participates in β ladder)trans-131.2110.6174-168.6-131.1000110.5K40 N41 L42 L391 E392Y31-K40 HydrophobicContact CD1-CB 4.07Å; Y31-K40 HydrophobicContact CD1-CD 3.67Å; Y31-K40 HydrophobicContact CD2-CB 3.89Å; Y31-K40 HydrophobicContact CE1-CB 3.63Å; Y31-K40 HydrophobicContact CE1-CD 3.48Å; Y31-K40 VanDerWaalsContact CE1-CD 3.48Å; Y31-K40 HydrophobicContact CE1-CG 4.21Å; Y31-K40 HydrophobicContact CE2-CB 3.43Å; Y31-K40 VanDerWaalsContact CE2-CB 3.43Å; Y31-K40 VanDerWaalsContact CE2-O 3.31Å; Y31-K40 WeakPolarHBondContact CE2-O 3.28Å; Y31-K40 HydrophobicContact CG-CB 4.19Å; Y31-K40 HydrophobicContact CG-CD 4.38Å; Y31-N41 WeakPolarHBondContact CA-O 3.37Å; Y31-N41 WeakPolarHBondContact CD2-O 3.22Å; Y31-L42 HydrophobicContact CD2-CB 4.43Å; Y31-L391 HydrophobicContact CD1-CD2 3.83Å; Y31-L391 HydrophobicContact CD2-CD2 3.27Å; Y31-L391 HydrophobicContact CE1-CB 4.35Å; Y31-L391 HydrophobicContact CE1-CD2 4.03Å; Y31-L391 HydrophobicContact CE2-CD2 3.51Å; Y31-L391 HydrophobicContact CG-CD2 3.46Å; Y31-L391 VanDerWaalsContact CG-CD2 3.46Å; Y31-E392 HydrophobicContact CE1-CG 4.1Å; Y31-E392 WeakPolarHBondContact OH-CG 3.48Å; Y31-E392 PolarHBondContact OH-OE1 3.02Å
32C93.2Very high90Very high1 Ų125.1 Ų25.11%0.00713%0.125CC..EExtended strand (participates in β ladder)trans-152.6160.7-165.555.10000113L34 K40 N41 D91C32-L34 VanDerWaalsContact C-N 3.29Å; C32-L34 PolarHBondContact O-N 2.8Å; C32-K40 WeakPolarHBondContact O-CA 3.3Å; C32-N41 PolarHBondContact N-O 3.25Å; C32-N41 VanDerWaalsContact N-O 3.13Å; C32-N41 PolarHBondContact O-N 3.33Å; C32-N41 PolarHBondContact O-OD1 3.42Å; C32-D91 HydrophobicContact CB-CB 4.07Å; C32-D91 WeakPolarHBondContact CB-OD2 3.41Å
33H91Very high90.3Very high31 Ų3124.6 Ų24.614%0.14412%0.121CC..  trans-82.865.9-179.6-64.8-84.8000111.6H36 P37 K38 L39 K40 R84 L90 D91H33-H36 WeakPolarHBondContact CB-O 3.44Å; H33-P37 PolarHBondContact CE1-O 3.34Å; H33-P37 PolarHBondContact ND1-O 3.01Å; H33-P37 VanDerWaalsContact ND1-O 3.16Å; H33-K38 PolarHBondContact CE1-O 2.81Å; H33-K38 VanDerWaalsContact CE1-O 3.22Å; H33-K38 PolarHBondContact ND1-O 3.06Å; H33-L39 PolarHBondContact ND1-O 3.31Å; H33-K40 WeakPolarHBondContact CE1-CG 3.43Å; H33-K40 WeakPolarHBondContact NE2-CE 3.46Å; H33-R84 PolarHBondContact CD2-NH2 3.4Å; H33-L90 WeakPolarHBondContact O-CA 3.44Å; H33-D91 IonicContact CD2-OD2 2.76Å; H33-D91 PolarHBondContact N-OD2 3.05Å; H33-D91 PolarHBondContact O-N 3.33Å
34L88.9Confident90.5Very high0 Ų024.4 Ų24.40%012%0.12CC..SBendtrans-84.8-39.1-169.9-176.857.9000112.7C32 N41 V43 I52 D91 L93 F107 L114C32-L34 VanDerWaalsContact C-N 3.29Å; C32-L34 PolarHBondContact O-N 2.8Å; L34-N41 WeakPolarHBondContact CA-OD1 3.47Å; L34-N41 WeakPolarHBondContact CB-OD1 3.17Å; L34-N41 PolarHBondContact N-OD1 3.41Å; L34-V43 HydrophobicContact CD2-CG2 3.58Å; L34-I52 HydrophobicContact CD2-CD1 3.49Å; L34-I52 VanDerWaalsContact CD2-CD1 3.49Å; L34-I52 HydrophobicContact CD2-CG1 4.06Å; L34-I52 HydrophobicContact CG-CD1 4.32Å; L34-D91 WeakPolarHBondContact CD1-O 3.48Å; L34-L93 HydrophobicContact CD1-CD1 4.45Å; L34-L93 HydrophobicContact CD1-CG 4.2Å; L34-L93 HydrophobicContact CD2-CD1 3.87Å; L34-L93 HydrophobicContact CD2-CD2 4.49Å; L34-L93 HydrophobicContact CD2-CG 4.31Å; L34-F107 HydrophobicContact CD1-CB 3.7Å; L34-F107 HydrophobicContact CG-CB 3.96Å; L34-F107 WeakPolarHBondContact O-CB 3.39Å; L34-L114 HydrophobicContact CD1-CD2 4.3Å; L34-L114 HydrophobicContact CD2-CD2 4.37Å
35T84.7Confident90.6Very high13 Ų1324 Ų248%0.0812%0.118CC..SBendtrans-101.8-23179.172.20000113.8N41 I52 V68 F107T35-N41 PolarHBondContact N-OD1 3.27Å; T35-N41 PolarHBondContact OG1-ND2 2.98Å; T35-N41 PolarHBondContact OG1-OD1 2.84Å; T35-I52 HydrophobicContact CG2-CG2 4.47Å; T35-V68 HydrophobicContact CG2-CG1 4.21Å; T35-F107 HydrophobicContact CG2-CD1 3.98Å; T35-F107 HydrophobicContact CG2-CD2 4.44Å; T35-F107 HydrophobicContact CG2-CE1 3.73Å; T35-F107 HydrophobicContact CG2-CE2 4.22Å; T35-F107 HydrophobicContact CG2-CG 4.32Å; T35-F107 HydrophobicContact CG2-CZ 3.85Å
36H80Confident90.6Very high0 Ų024.5 Ų24.50%012%0.12CC..  trans-147.5138-176.6-170-142.5000112H33 K38 L39 D1189 E1190 S1191 Y1192H33-H36 WeakPolarHBondContact CB-O 3.44Å; H36-K38 VanDerWaalsContact C-N 3.31Å; H36-K38 PolarHBondContact O-N 2.91Å; H36-L39 HydrophobicContact CB-CB 4.26Å; H36-D1189 PolarHBondContact CE1-O 2.74Å; H36-D1189 PolarHBondContact ND1-O 3.06Å; H36-E1190 WeakPolarHBondContact CB-O 3.28Å; H36-S1191 VanDerWaalsContact CD2-CA 3.41Å; H36-S1191 WeakPolarHBondContact CD2-CA 3.49Å; H36-Y1192 PolarHBondContact CD2-N 3.3Å
37P79.9Confident90.2Very high37 Ų3724.7 Ų24.724%0.2412%0.121CC..SBendtrans-61.6-24.5173.819.1-35.6000116.4H33 L89 Y1192H33-P37 PolarHBondContact CE1-O 3.34Å; H33-P37 PolarHBondContact ND1-O 3.01Å; H33-P37 VanDerWaalsContact ND1-O 3.16Å; P37-L89 HydrophobicContact CB-CB 4.37Å; P37-Y1192 HydrophobicContact CG-CG 4.39Å
38K81.6Confident90Very high126 Ų12623.7 Ų23.755%0.54812%0.117SC..SBendtrans-86.6-55.5175.8-57.1-173.8-169.1178.30112.1H33 H36 D1189H33-K38 PolarHBondContact CE1-O 2.81Å; H33-K38 VanDerWaalsContact CE1-O 3.22Å; H33-K38 PolarHBondContact ND1-O 3.06Å; H36-K38 VanDerWaalsContact C-N 3.31Å; H36-K38 PolarHBondContact O-N 2.91Å; K38-D1189 IonicContact NZ-OD1 3.57Å; K38-D1189 PolarHBondContact NZ-OD1 3.05Å
39L82.2Confident89.9Confident68 Ų6823.9 Ų23.936%0.35612%0.116SC..SBendtrans-78.6150.1-174.6-58.1175.2000110.7H33 H36 D1189 E1190H33-L39 PolarHBondContact ND1-O 3.31Å; H36-L39 HydrophobicContact CB-CB 4.26Å; L39-D1189 WeakPolarHBondContact CD1-O 3.2Å; L39-E1190 HydrophobicContact CD1-CG 4.5Å
40K88.8Confident89.8Confident83 Ų8323.3 Ų23.336%0.36111%0.112SC..  trans-108.9138.4170.8-71.9178.6-177.71750110.3Y31 C32 H33Y31-K40 HydrophobicContact CD1-CB 4.07Å; Y31-K40 HydrophobicContact CD1-CD 3.67Å; Y31-K40 HydrophobicContact CD2-CB 3.89Å; Y31-K40 HydrophobicContact CE1-CB 3.63Å; Y31-K40 HydrophobicContact CE1-CD 3.48Å; Y31-K40 VanDerWaalsContact CE1-CD 3.48Å; Y31-K40 HydrophobicContact CE1-CG 4.21Å; Y31-K40 HydrophobicContact CE2-CB 3.43Å; Y31-K40 VanDerWaalsContact CE2-CB 3.43Å; Y31-K40 VanDerWaalsContact CE2-O 3.31Å; Y31-K40 WeakPolarHBondContact CE2-O 3.28Å; Y31-K40 HydrophobicContact CG-CB 4.19Å; Y31-K40 HydrophobicContact CG-CD 4.38Å; C32-K40 WeakPolarHBondContact O-CA 3.3Å; H33-K40 WeakPolarHBondContact CE1-CG 3.43Å; H33-K40 WeakPolarHBondContact NE2-CE 3.46Å
41N92.6Very high89.7Confident0 Ų022.5 Ų22.50%011%0.108CC..EExtended strand (participates in β ladder)trans-101.6140.2176.6-39.899.8000109.6Y31 C32 L34 T35 I52 Y53 N54Y31-N41 WeakPolarHBondContact CA-O 3.37Å; Y31-N41 WeakPolarHBondContact CD2-O 3.22Å; C32-N41 PolarHBondContact N-O 3.25Å; C32-N41 VanDerWaalsContact N-O 3.13Å; C32-N41 PolarHBondContact O-N 3.33Å; C32-N41 PolarHBondContact O-OD1 3.42Å; L34-N41 WeakPolarHBondContact CA-OD1 3.47Å; L34-N41 WeakPolarHBondContact CB-OD1 3.17Å; L34-N41 PolarHBondContact N-OD1 3.41Å; T35-N41 PolarHBondContact N-OD1 3.27Å; T35-N41 PolarHBondContact OG1-ND2 2.98Å; T35-N41 PolarHBondContact OG1-OD1 2.84Å; N41-I52 HydrophobicContact CB-CG2 3.66Å; N41-Y53 CarbonylContact C-O 3.56Å; N41-Y53 WeakPolarHBondContact CA-O 3.48Å; N41-N54 PolarHBondContact ND2-OD1 3.09Å
42L95.2Very high89.7Confident1 Ų120.6 Ų20.61%0.00510%0.1CC..EExtended strand (participates in β ladder)trans-78.9116.1164.8171.862.4000108C29 Y31 I44 Y53 F65 V389 L391 F397C29-L42 HydrophobicContact CB-CD1 4.3Å; Y31-L42 HydrophobicContact CD2-CB 4.43Å; L42-I44 HydrophobicContact CD1-CG2 4.05Å; L42-I44 HydrophobicContact CD2-CG2 4.33Å; L42-I44 HydrophobicContact CG-CG2 3.96Å; L42-Y53 PolarHBondContact N-O 3.27Å; L42-Y53 PolarHBondContact O-N 2.67Å; L42-F65 HydrophobicContact CD2-CD1 4.26Å; L42-F65 HydrophobicContact CD2-CE1 3.62Å; L42-V389 HydrophobicContact CD1-CG1 3.83Å; L42-L391 HydrophobicContact CB-CD2 4.5Å; L42-L391 HydrophobicContact CD1-CD2 4.44Å; L42-F397 HydrophobicContact CD1-CB 4.45Å; L42-F397 HydrophobicContact CD1-CD1 3.96Å; L42-F397 HydrophobicContact CD1-CG 4.23Å; L42-F397 HydrophobicContact CD2-CB 4.34Å; L42-F397 HydrophobicContact CD2-CD1 4.24Å; L42-F397 HydrophobicContact CD2-CD2 3.94Å; L42-F397 HydrophobicContact CD2-CE2 4.29Å; L42-F397 HydrophobicContact CD2-CG 3.9Å
43V96Very high89.6Confident2 Ų221 Ų211%0.01210%0.101CC..EExtended strand (participates in β ladder)trans-103.2123.4174.9-175.40000107.9C29 L30 L34 I50 E51 I52 I80 L93C29-V43 CarbonylContact C-O 3.53Å; C29-V43 VanDerWaalsContact CA-O 3.31Å; C29-V43 WeakPolarHBondContact CA-O 3.33Å; L30-V43 HydrophobicContact CB-CB 4.46Å; L30-V43 PolarHBondContact N-O 3.18Å; L30-V43 PolarHBondContact O-N 3.2Å; L34-V43 HydrophobicContact CD2-CG2 3.58Å; V43-I50 HydrophobicContact CG1-CG2 3.92Å; V43-E51 WeakPolarHBondContact CA-O 3.47Å; V43-I52 HydrophobicContact CG2-CG1 4.49Å; V43-I80 HydrophobicContact CG1-CD1 4.49Å; V43-L93 HydrophobicContact CG1-CD1 4.13Å
44I95.8Very high89.5Confident0 Ų021.3 Ų21.30%010%0.104CC..EExtended strand (participates in β ladder)trans-117.2152.2175.269.2174.3000111V26 N28 C29 L42 E51 Y53 F397 L533V26-I44 HydrophobicContact CG1-CB 4.15Å; V26-I44 HydrophobicContact CG1-CG2 4.47Å; V26-I44 HydrophobicContact CG2-CD1 4.19Å; N28-I44 WeakPolarHBondContact O-CA 3.49Å; C29-I44 HydrophobicContact CB-CG2 4.22Å; L42-I44 HydrophobicContact CD1-CG2 4.05Å; L42-I44 HydrophobicContact CD2-CG2 4.33Å; L42-I44 HydrophobicContact CG-CG2 3.96Å; I44-E51 HydrophobicContact CD1-CB 4.45Å; I44-E51 HydrophobicContact CG1-CB 3.89Å; I44-E51 PolarHBondContact N-O 3.37Å; I44-E51 PolarHBondContact O-N 3.36Å; I44-Y53 HydrophobicContact CD1-CD2 4.22Å; I44-Y53 HydrophobicContact CD1-CE2 3.71Å; I44-Y53 HydrophobicContact CG1-CD2 4.29Å; I44-Y53 HydrophobicContact CG1-CE2 4.08Å; I44-F397 HydrophobicContact CG2-CE1 3.76Å; I44-F397 HydrophobicContact CG2-CZ 3.98Å; I44-L533 HydrophobicContact CD1-CD1 3.65Å
45T95.1Very high89.5Confident1 Ų123.4 Ų23.41%0.00612%0.117CC..EExtended strand (participates in β ladder)trans-121.3137173.363.20000110.4D27 N28 F49 I50 I77 I80D27-T45 PolarHBondContact N-O 3.21Å; N28-T45 VanDerWaalsContact CB-OG1 3.29Å; N28-T45 WeakPolarHBondContact CB-OG1 3.29Å; N28-T45 PolarHBondContact N-OG1 3.1Å; N28-T45 VanDerWaalsContact N-OG1 3.12Å; N28-T45 PolarHBondContact ND2-OG1 3.01Å; N28-T45 PolarHBondContact O-N 3.1Å; N28-T45 PolarHBondContact O-OG1 3.2Å; T45-F49 CarbonylContact C-O 3.59Å; T45-F49 VanDerWaalsContact CA-O 3.3Å; T45-F49 WeakPolarHBondContact CA-O 3.28Å; T45-I50 HydrophobicContact CG2-CG1 4.37Å; T45-I77 HydrophobicContact CG2-CD1 3.76Å; T45-I77 HydrophobicContact CG2-CG2 4.39Å; T45-I80 HydrophobicContact CG2-CD1 3.91Å; T45-I80 HydrophobicContact CG2-CG2 4.36Å
46R92.3Very high89.3Confident10 Ų1025.6 Ų25.64%0.03813%0.126CC..  trans-128.884.8-178.4-71166.7151.7178-6.6107.3P23 T24 A25 V26 G48 F49 E51P23-R46 HydrophobicContact CB-CB 4.22Å; P23-R46 HydrophobicContact CG-CB 4.07Å; P23-R46 WeakPolarHBondContact CG-O 3.28Å; P23-R46 WeakPolarHBondContact O-CD 3.42Å; T24-R46 PolarHBondContact O-NE 2.83Å; T24-R46 VanDerWaalsContact O-NE 3.1Å; A25-R46 WeakPolarHBondContact O-CA 3.49Å; A25-R46 WeakPolarHBondContact O-CG 3.41Å; V26-R46 HydrophobicContact CG2-CG 4.22Å; R46-G48 PolarHBondContact O-N 2.96Å; R46-F49 HydrophobicContact CB-CB 4.29Å; R46-F49 PolarHBondContact N-O 3.04Å; R46-F49 PolarHBondContact O-N 3.39Å; R46-E51 WeakPolarHBondContact CD-OE1 3.44Å; R46-E51 IonicContact CZ-OE1 3.96Å; R46-E51 IonicContact CZ-OE2 2.77Å; R46-E51 IonicContact NE-OE2 2.66Å; R46-E51 IonicContact NH1-OE1 2.96Å; R46-E51 PolarHBondContact NH1-OE1 3.33Å; R46-E51 IonicContact NH1-OE2 3.2Å; R46-E51 PolarHBondContact NH1-OE2 2.91Å
47G86.7Confident89.4Confident3 Ų328.7 Ų28.73%0.03115%0.147CC..SBendtrans53.1-109.6-168.300000113.4D27 N76 I77D27-G47 WeakPolarHBondContact OD2-CA 3.43Å; D27-G47 PolarHBondContact OD2-N 2.96Å; G47-N76 VanDerWaalsContact C-OD1 3.28Å; G47-N76 WeakPolarHBondContact CA-OD1 3.24Å; G47-I77 PolarHBondContact O-N 3.29Å
48G87.2Confident89.2Confident4 Ų427.7 Ų27.74%0.04114%0.141CC..SBendtrans-91.931.8175.200000114.5R46 S72 V73 N76R46-G48 PolarHBondContact O-N 2.96Å; G48-S72 CarbonylContact O-C 3.59Å; G48-S72 WeakPolarHBondContact O-CA 3.12Å; G48-S72 PolarHBondContact O-OG 2.9Å; G48-V73 CarbonylContact C-O 3.58Å; G48-V73 VanDerWaalsContact CA-O 3.23Å; G48-V73 WeakPolarHBondContact CA-O 3.15Å; G48-V73 PolarHBondContact O-N 2.98Å; G48-N76 PolarHBondContact N-OD1 2.54Å
49F91.3Very high88.6Confident37 Ų3726.6 Ų26.616%0.16216%0.156CC..EExtended strand (participates in β ladder)trans-132.6139.6175.9-74.7-110.1000110.1H19 P22 P23 T45 R46 T71H19-F49 AromaticContact NE2-CE2 3.9Å; P22-F49 HydrophobicContact CB-CD1 4.42Å; P22-F49 HydrophobicContact CB-CE1 4.04Å; P22-F49 HydrophobicContact CB-CZ 4.13Å; P23-F49 VanDerWaalsContact CD-CD2 3.43Å; P23-F49 VanDerWaalsContact CD-CE2 3.43Å; P23-F49 HydrophobicContact CG-CB 4.34Å; P23-F49 HydrophobicContact CG-CD2 3.38Å; P23-F49 HydrophobicContact CG-CE2 3.91Å; P23-F49 HydrophobicContact CG-CG 4.04Å; T45-F49 CarbonylContact C-O 3.59Å; T45-F49 VanDerWaalsContact CA-O 3.3Å; T45-F49 WeakPolarHBondContact CA-O 3.28Å; R46-F49 HydrophobicContact CB-CB 4.29Å; R46-F49 PolarHBondContact N-O 3.04Å; R46-F49 PolarHBondContact O-N 3.39Å; F49-T71 WeakPolarHBondContact CA-O 3.41Å
50I94.1Very high88.1Confident1 Ų128 Ų281%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-116.7130.4172.8-56.4177.2000107.4V43 T45 G70 T71 V73 I77 L95 L114V43-I50 HydrophobicContact CG1-CG2 3.92Å; T45-I50 HydrophobicContact CG2-CG1 4.37Å; I50-G70 CarbonylContact O-C 3.52Å; I50-G70 VanDerWaalsContact O-CA 3.25Å; I50-G70 WeakPolarHBondContact O-CA 3.4Å; I50-T71 PolarHBondContact N-O 2.91Å; I50-T71 PolarHBondContact O-N 3.47Å; I50-V73 HydrophobicContact CD1-CG2 3.77Å; I50-V73 HydrophobicContact CG1-CG2 4.02Å; I50-I77 HydrophobicContact CD1-CD1 3.84Å; I50-I77 HydrophobicContact CG1-CD1 3.42Å; I50-I77 VanDerWaalsContact CG1-CD1 3.42Å; I50-L95 HydrophobicContact CD1-CD1 3.67Å; I50-L95 HydrophobicContact CD1-CD2 3.86Å; I50-L95 HydrophobicContact CD1-CG 4.42Å; I50-L114 HydrophobicContact CD1-CD1 4.46Å; I50-L114 HydrophobicContact CG2-CD1 4.03Å
51E93.5Very high87.4Confident15 Ų1526.7 Ų26.77%0.0718%0.181CC..EExtended strand (participates in β ladder)trans-129.2144175.9-64.7168.5-162.900110.1V43 I44 R46 Y53V43-E51 WeakPolarHBondContact CA-O 3.47Å; I44-E51 HydrophobicContact CD1-CB 4.45Å; I44-E51 HydrophobicContact CG1-CB 3.89Å; I44-E51 PolarHBondContact N-O 3.37Å; I44-E51 PolarHBondContact O-N 3.36Å; R46-E51 WeakPolarHBondContact CD-OE1 3.44Å; R46-E51 IonicContact CZ-OE1 3.96Å; R46-E51 IonicContact CZ-OE2 2.77Å; R46-E51 IonicContact NE-OE2 2.66Å; R46-E51 IonicContact NH1-OE1 2.96Å; R46-E51 PolarHBondContact NH1-OE1 3.33Å; R46-E51 IonicContact NH1-OE2 3.2Å; R46-E51 PolarHBondContact NH1-OE2 2.91Å; E51-Y53 HydrophobicContact CB-CD2 4.28Å; E51-Y53 HydrophobicContact CB-CE2 3.67Å; E51-Y53 WeakPolarHBondContact OE2-CE2 3.42Å; E51-Y53 PolarHBondContact OE2-OH 3.07Å
52I93.8Very high86.7Confident0 Ų031.3 Ų31.30%020%0.203CC..EExtended strand (participates in β ladder)trans-121.4124.3-176.9-54.4175.3000107.6L34 T35 N41 V43 V68 Y69 F107 L114L34-I52 HydrophobicContact CD2-CD1 3.49Å; L34-I52 VanDerWaalsContact CD2-CD1 3.49Å; L34-I52 HydrophobicContact CD2-CG1 4.06Å; L34-I52 HydrophobicContact CG-CD1 4.32Å; T35-I52 HydrophobicContact CG2-CG2 4.47Å; N41-I52 HydrophobicContact CB-CG2 3.66Å; V43-I52 HydrophobicContact CG2-CG1 4.49Å; I52-V68 HydrophobicContact CB-CB 4.42Å; I52-V68 HydrophobicContact CG2-CB 4.19Å; I52-V68 WeakPolarHBondContact O-CB 3.48Å; I52-V68 PolarHBondContact O-N 2.86Å; I52-Y69 HydrophobicContact CD1-CD1 4.03Å; I52-Y69 PolarHBondContact N-O 3.47Å; I52-Y69 PolarHBondContact O-N 3.18Å; I52-F107 HydrophobicContact CD1-CD2 4.21Å; I52-F107 HydrophobicContact CD1-CE2 4.39Å; I52-L114 HydrophobicContact CD1-CD1 4.29Å; I52-L114 HydrophobicContact CD1-CD2 4.43Å; I52-L114 HydrophobicContact CD1-CG 4.36Å
53Y92Very high86.2Confident8 Ų831.9 Ų31.93%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-123.5145.9-179.5-70.7-89.3000111.2N41 L42 I44 E51 F65 N66 W67 L533N41-Y53 CarbonylContact C-O 3.56Å; N41-Y53 WeakPolarHBondContact CA-O 3.48Å; L42-Y53 PolarHBondContact N-O 3.27Å; L42-Y53 PolarHBondContact O-N 2.67Å; I44-Y53 HydrophobicContact CD1-CD2 4.22Å; I44-Y53 HydrophobicContact CD1-CE2 3.71Å; I44-Y53 HydrophobicContact CG1-CD2 4.29Å; I44-Y53 HydrophobicContact CG1-CE2 4.08Å; E51-Y53 HydrophobicContact CB-CD2 4.28Å; E51-Y53 HydrophobicContact CB-CE2 3.67Å; E51-Y53 WeakPolarHBondContact OE2-CE2 3.42Å; E51-Y53 PolarHBondContact OE2-OH 3.07Å; Y53-F65 HydrophobicContact CD1-CB 3.84Å; Y53-F65 HydrophobicContact CE1-CB 4.22Å; Y53-N66 CarbonylContact C-O 3.54Å; Y53-N66 WeakPolarHBondContact CA-O 3.14Å; Y53-W67 HydrophobicContact CD1-CB 4.05Å; Y53-W67 HydrophobicContact CE1-CB 3.75Å; Y53-W67 AromaticContact CE1-CD1 3.93Å; Y53-W67 HydrophobicContact CE1-CG 4.28Å; Y53-W67 AromaticContact CZ-CD1 3.83Å; Y53-L533 HydrophobicContact CE1-CD2 4.47Å
54N88.9Confident85.8Confident38 Ų3835.5 Ų35.520%0.20322%0.219CC..EExtended strand (participates in β ladder)trans-100.8153159.3-69.4-6.7000108.5N41 N66 V68N41-N54 PolarHBondContact ND2-OD1 3.09Å; N54-N66 PolarHBondContact N-O 3.19Å; N54-N66 PolarHBondContact O-N 2.84Å; N54-V68 HydrophobicContact CB-CG2 4.16Å
55V87.1Confident85.5Confident44 Ų4435.7 Ų35.727%0.26722%0.22SC..EExtended strand (participates in β ladder)trans-97.6120.8168.1178.10000106.4T63 L391 L407V55-T63 HydrophobicContact CG1-CG2 3.26Å; V55-L391 HydrophobicContact CG2-CD1 4.27Å; V55-L407 HydrophobicContact CG1-CD2 4.12Å; V55-L407 HydrophobicContact CG2-CD2 4.49Å
56K82.2Confident85.2Confident60 Ų6036.4 Ų36.426%0.26122%0.224SC..EExtended strand (participates in β ladder)trans-126133-178.5-164.6-171.5-177.8-168.10109.3T63 R64 N66 D1164 D1166K56-T63 WeakPolarHBondContact O-CA 3.4Å; K56-R64 PolarHBondContact N-O 3.43Å; K56-R64 PolarHBondContact O-N 2.81Å; K56-N66 HydrophobicContact CB-CB 4.32Å; K56-D1164 VanDerWaalsContact CE-OD2 3.3Å; K56-D1164 WeakPolarHBondContact CE-OD2 3.48Å; K56-D1164 IonicContact NZ-OD2 3.03Å; K56-D1164 PolarHBondContact NZ-OD2 3.16Å; K56-D1166 IonicContact NZ-OD2 2.99Å; K56-D1166 PolarHBondContact NZ-OD2 3.38Å
57S82.1Confident85.1Confident65 Ų6537.9 Ų37.946%0.45523%0.23SC..EExtended strand (participates in β ladder)trans-84.5131.2164.3-52.20000109.3E62 T63S57-E62 CarbonylContact C-O 3.6Å; S57-E62 WeakPolarHBondContact CA-O 3.26Å; S57-T63 PolarHBondContact OG-OG1 3.43Å
58S73.9Confident85.1Confident15 Ų1538.4 Ų38.411%0.10523%0.232CC..  trans-69.6169.2173.1660000111.3S60 G61 E62 D1164S58-S60 PolarHBondContact O-N 3.48Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-N 3.42Å; S58-S60 PolarHBondContact OG-OG 3.16Å; S58-G61 PolarHBondContact O-N 3.26Å; S58-G61 PolarHBondContact OG-N 3.48Å; S58-E62 PolarHBondContact N-O 3.32Å; S58-E62 PolarHBondContact OG-N 3.16Å; S58-E62 PolarHBondContact OG-O 3.39Å; S58-E62 VanDerWaalsContact OG-O 3.14Å; S58-D1164 WeakPolarHBondContact CA-OD1 3.39Å
59A70.5Confident85.1Confident104 Ų10439.5 Ų39.586%0.8624%0.235SC*.THydrogen-bonded Turntrans-58-21.7167.800000113.9G61 D1164A59-G61 VanDerWaalsContact C-N 3.34Å; A59-D1164 PolarHBondContact N-OD1 2.95Å
60S70.6Confident85Confident97 Ų9739 Ų3968%0.67824%0.24SC*.THydrogen-bonded Turntrans-85.91.7174.663.30000114.3S58 E62S58-S60 PolarHBondContact O-N 3.48Å; S58-S60 VanDerWaalsContact O-N 3.16Å; S58-S60 PolarHBondContact OG-N 3.42Å; S58-S60 PolarHBondContact OG-OG 3.16Å; S60-E62 PolarHBondContact O-N 3.48Å
61G74.5Confident84.7Confident55 Ų5539.7 Ų39.757%0.56725%0.245SC*.SBendtrans82.1-11.1-177.800000114.9S58 A59 T63S58-G61 PolarHBondContact O-N 3.26Å; S58-G61 PolarHBondContact OG-N 3.48Å; A59-G61 VanDerWaalsContact C-N 3.34Å; G61-T63 PolarHBondContact O-N 3Å
62E77.3Confident84.4Confident98 Ų9839.8 Ų39.846%0.45825%0.247SC..  trans-64.3129.1171.8-73.3-161164.100111.1S57 S58 S60 R64S57-E62 CarbonylContact C-O 3.6Å; S57-E62 WeakPolarHBondContact CA-O 3.26Å; S58-E62 PolarHBondContact N-O 3.32Å; S58-E62 PolarHBondContact OG-N 3.16Å; S58-E62 PolarHBondContact OG-O 3.39Å; S58-E62 VanDerWaalsContact OG-O 3.14Å; S60-E62 PolarHBondContact O-N 3.48Å; E62-R64 IonicContact OE2-CZ 2.99Å; E62-R64 IonicContact OE2-NE 3.19Å; E62-R64 PolarHBondContact OE2-NE 3.12Å; E62-R64 IonicContact OE2-NH2 2.63Å; E62-R64 PolarHBondContact OE2-NH2 2.98Å
63T85.5Confident84Confident13 Ų1339.9 Ų39.98%0.0825%0.248CC..EExtended strand (participates in β ladder)trans-96.7127.8176.4-60.20000109.9V55 K56 S57 G61 Y395 L407 V530V55-T63 HydrophobicContact CG1-CG2 3.26Å; K56-T63 WeakPolarHBondContact O-CA 3.4Å; S57-T63 PolarHBondContact OG-OG1 3.43Å; G61-T63 PolarHBondContact O-N 3Å; T63-Y395 HydrophobicContact CG2-CE1 4.26Å; T63-Y395 PolarHBondContact OG1-OH 3.22Å; T63-L407 HydrophobicContact CG2-CD2 4.37Å; T63-V530 HydrophobicContact CG2-CG1 4.34Å; T63-V530 WeakPolarHBondContact O-CG1 3.34Å
64R87.1Confident83.6Confident77 Ų7740.8 Ų40.829%0.29125%0.251SS..EExtended strand (participates in β ladder)trans-138.6164.1-177.8-62.2-170.8-174.5-166.94.7112.6K56 E62 D531 I1163 D1267K56-R64 PolarHBondContact N-O 3.43Å; K56-R64 PolarHBondContact O-N 2.81Å; E62-R64 IonicContact OE2-CZ 2.99Å; E62-R64 IonicContact OE2-NE 3.19Å; E62-R64 PolarHBondContact OE2-NE 3.12Å; E62-R64 IonicContact OE2-NH2 2.63Å; E62-R64 PolarHBondContact OE2-NH2 2.98Å; R64-D531 VanDerWaalsContact CA-OD2 3.23Å; R64-D531 WeakPolarHBondContact CA-OD2 3.46Å; R64-D531 WeakPolarHBondContact CB-OD2 3.44Å; R64-I1163 HydrophobicContact CB-CD1 3.89Å; R64-D1267 IonicContact NH1-OD2 2.91Å; R64-D1267 PolarHBondContact NH1-OD2 2.88Å
65F90.1Very high83.5Confident4 Ų439.5 Ų39.52%0.01824%0.244CC..EExtended strand (participates in β ladder)trans-74.4118.2173.3-65.3-65.4000111.7L42 Y53 F397 L407 D531 L533 S1268L42-F65 HydrophobicContact CD2-CD1 4.26Å; L42-F65 HydrophobicContact CD2-CE1 3.62Å; Y53-F65 HydrophobicContact CD1-CB 3.84Å; Y53-F65 HydrophobicContact CE1-CB 4.22Å; F65-F397 HydrophobicContact CE1-CD2 4.09Å; F65-F397 HydrophobicContact CE1-CE2 4.25Å; F65-F397 AromaticContact CZ-CD2 3.72Å; F65-F397 HydrophobicContact CZ-CD2 3.72Å; F65-F397 AromaticContact CZ-CE2 3.71Å; F65-F397 HydrophobicContact CZ-CE2 3.71Å; F65-L407 HydrophobicContact CE1-CB 4.24Å; F65-L407 HydrophobicContact CE1-CD2 4.37Å; F65-L407 HydrophobicContact CE2-CB 4.05Å; F65-L407 HydrophobicContact CZ-CB 3.61Å; F65-L407 HydrophobicContact CZ-CD2 4.47Å; F65-L407 HydrophobicContact CZ-CG 4.46Å; F65-D531 HydrophobicContact CD2-CB 3.96Å; F65-D531 WeakPolarHBondContact CD2-OD2 3.31Å; F65-D531 HydrophobicContact CE2-CB 4Å; F65-D531 PolarHBondContact N-OD2 3.08Å; F65-L533 HydrophobicContact CD2-CD2 3.61Å; F65-L533 HydrophobicContact CD2-CG 3.93Å; F65-L533 HydrophobicContact CE2-CD1 4.34Å; F65-L533 HydrophobicContact CE2-CD2 3.94Å; F65-L533 HydrophobicContact CE2-CG 3.7Å; F65-L533 HydrophobicContact CG-CD2 4.17Å; F65-L533 HydrophobicContact CZ-CD1 4.43Å; F65-L533 HydrophobicContact CZ-CG 4.25Å; F65-S1268 WeakPolarHBondContact O-CA 3.48Å; F65-S1268 WeakPolarHBondContact O-CB 3.15Å
66N88.8Confident83.6Confident17 Ų1740.1 Ų40.19%0.09125%0.246CC..EExtended strand (participates in β ladder)trans-101.8116.6170.2-174-1000109.4Y53 N54 K56 R1167Y53-N66 CarbonylContact C-O 3.54Å; Y53-N66 WeakPolarHBondContact CA-O 3.14Å; N54-N66 PolarHBondContact N-O 3.19Å; N54-N66 PolarHBondContact O-N 2.84Å; K56-N66 HydrophobicContact CB-CB 4.32Å; N66-R1167 PolarHBondContact OD1-NH1 3.06Å
67W89.6Confident84.1Confident41 Ų4137.7 Ų37.716%0.15524%0.236CC..EExtended strand (participates in β ladder)trans-76.7132.6-178.8177.987.2000111.6Y53 Y69 R1167 S1268 Q1270Y53-W67 HydrophobicContact CD1-CB 4.05Å; Y53-W67 HydrophobicContact CE1-CB 3.75Å; Y53-W67 AromaticContact CE1-CD1 3.93Å; Y53-W67 HydrophobicContact CE1-CG 4.28Å; Y53-W67 AromaticContact CZ-CD1 3.83Å; W67-Y69 PolarHBondContact NE1-O 3.45Å; W67-R1167 PolarHBondContact O-NH1 2.88Å; W67-S1268 WeakPolarHBondContact CB-O 3.44Å; W67-S1268 PolarHBondContact N-O 2.93Å; W67-Q1270 HydrophobicContact CB-CG 3.88Å; W67-Q1270 HydrophobicContact CD2-CG 3.79Å; W67-Q1270 HydrophobicContact CE3-CG 3.87Å; W67-Q1270 HydrophobicContact CG-CG 3.84Å
68V87Confident84.5Confident14 Ų1435.6 Ų35.69%0.08522%0.222CC..EExtended strand (participates in β ladder)trans-107.6-48.4-175.6-177.20000111.3T35 I52 N54 F112T35-V68 HydrophobicContact CG2-CG1 4.21Å; I52-V68 HydrophobicContact CB-CB 4.42Å; I52-V68 HydrophobicContact CG2-CB 4.19Å; I52-V68 WeakPolarHBondContact O-CB 3.48Å; I52-V68 PolarHBondContact O-N 2.86Å; N54-V68 HydrophobicContact CB-CG2 4.16Å; V68-F112 HydrophobicContact CG1-CE1 3.55Å; V68-F112 HydrophobicContact CG1-CZ 3.64Å
69Y88.3Confident85.4Confident26 Ų2636 Ų3610%0.10222%0.224CC..EExtended strand (participates in β ladder)trans-159.8155.5-178.1-179.6-108.2000110.9I52 W67 T71 F107 F112 E113 L114I52-Y69 HydrophobicContact CD1-CD1 4.03Å; I52-Y69 PolarHBondContact N-O 3.47Å; I52-Y69 PolarHBondContact O-N 3.18Å; W67-Y69 PolarHBondContact NE1-O 3.45Å; Y69-T71 HydrophobicContact CE1-CG2 3.94Å; Y69-F107 HydrophobicContact CD1-CE2 4.5Å; Y69-F107 HydrophobicContact CG-CE2 4.44Å; Y69-F112 WeakPolarHBondContact CD2-O 3.24Å; Y69-E113 HydrophobicContact CE2-CG 4.26Å; Y69-L114 HydrophobicContact CD1-CD1 4.31Å; Y69-L114 HydrophobicContact CD1-CG 4.2Å; Y69-L114 HydrophobicContact CE1-CB 4.07Å; Y69-L114 HydrophobicContact CE1-CD1 4.06Å; Y69-L114 HydrophobicContact CE1-CG 3.86Å
70G88.6Confident86.6Confident26 Ų2631.4 Ų31.427%0.26819%0.185SC..EExtended strand (participates in β ladder)trans-154.7143.7175.300000110.6I50I50-G70 CarbonylContact O-C 3.52Å; I50-G70 VanDerWaalsContact O-CA 3.25Å; I50-G70 WeakPolarHBondContact O-CA 3.4Å
71T88.5Confident87.7Confident16 Ų1627.7 Ų27.710%0.09816%0.158CC..EExtended strand (participates in β ladder)trans-150.9152.4178-162.70000111.8F49 I50 Y69 L114F49-T71 WeakPolarHBondContact CA-O 3.41Å; I50-T71 PolarHBondContact N-O 2.91Å; I50-T71 PolarHBondContact O-N 3.47Å; Y69-T71 HydrophobicContact CE1-CG2 3.94Å; T71-L114 HydrophobicContact CG2-CD1 4.28Å
72S86.6Confident88.7Confident18 Ų1826.9 Ų26.913%0.12614%0.142CC..EExtended strand (participates in β ladder)trans-92.8134.9175.5-175.70000110.7G48 I1755G48-S72 CarbonylContact O-C 3.59Å; G48-S72 WeakPolarHBondContact O-CA 3.12Å; G48-S72 PolarHBondContact O-OG 2.9Å; S72-I1755 WeakPolarHBondContact O-CD1 3.34Å
73V85.5Confident89.4Confident2 Ų222.2 Ų22.21%0.01212%0.12CC..  trans-111.7125.6173.2-177.70000107G48 I50 E75 F97 I1755 C1756 M1758G48-V73 CarbonylContact C-O 3.58Å; G48-V73 VanDerWaalsContact CA-O 3.23Å; G48-V73 WeakPolarHBondContact CA-O 3.15Å; G48-V73 PolarHBondContact O-N 2.98Å; I50-V73 HydrophobicContact CD1-CG2 3.77Å; I50-V73 HydrophobicContact CG1-CG2 4.02Å; V73-E75 PolarHBondContact O-N 3.22Å; V73-E75 VanDerWaalsContact O-N 3.09Å; V73-F97 HydrophobicContact CG1-CE1 3.65Å; V73-F97 HydrophobicContact CG1-CZ 3.89Å; V73-I1755 HydrophobicContact CG2-CG2 4.15Å; V73-C1756 HydrophobicContact CG1-CB 4.24Å; V73-M1758 HydrophobicContact CG1-CE 3.37Å
74Y83.2Confident89.7Confident26 Ų2626.1 Ų26.110%0.10213%0.133CC..SBendtrans-72.2-7.9-164.5-56.7-69.1000115.5P1760 C1763 W1764Y74-P1760 HydrophobicContact CD1-CB 3.65Å; Y74-P1760 HydrophobicContact CD1-CG 4.25Å; Y74-P1760 HydrophobicContact CD2-CB 3.84Å; Y74-P1760 HydrophobicContact CD2-CG 3.81Å; Y74-P1760 HydrophobicContact CE1-CB 3.83Å; Y74-P1760 HydrophobicContact CE1-CG 4.02Å; Y74-P1760 HydrophobicContact CE2-CB 4.02Å; Y74-P1760 HydrophobicContact CE2-CG 3.57Å; Y74-P1760 HydrophobicContact CG-CB 3.64Å; Y74-P1760 HydrophobicContact CG-CG 4.14Å; Y74-C1763 WeakPolarHBondContact O-CB 3.35Å; Y74-W1764 HydrophobicContact CD1-CH2 4.31Å; Y74-W1764 AromaticContact CD1-CZ2 3.6Å; Y74-W1764 HydrophobicContact CD1-CZ2 3.6Å; Y74-W1764 HydrophobicContact CE1-CH2 4.27Å; Y74-W1764 AromaticContact CE1-CZ2 3.89Å; Y74-W1764 HydrophobicContact CE1-CZ2 3.89Å
75E86.3Confident89.7Confident12 Ų1222.9 Ų22.96%0.05612%0.121CC..SBendtrans-122.7143.1171.6-167.7176.5152.900109V73 F97 K101 M1758V73-E75 PolarHBondContact O-N 3.22Å; V73-E75 VanDerWaalsContact O-N 3.09Å; E75-F97 HydrophobicContact CB-CD1 4.05Å; E75-F97 HydrophobicContact CG-CB 4.39Å; E75-F97 HydrophobicContact CG-CD1 4.31Å; E75-F97 WeakPolarHBondContact OE1-CB 3.41Å; E75-K101 IonicContact OE1-NZ 3.79Å; E75-K101 PolarHBondContact OE1-NZ 2.65Å; E75-K101 WeakPolarHBondContact OE2-CE 3.33Å; E75-K101 IonicContact OE2-NZ 2.71Å; E75-K101 PolarHBondContact OE2-NZ 2.91Å; E75-M1758 HydrophobicContact CB-CE 3.79Å; E75-M1758 HydrophobicContact CB-SD 3.89Å
76N88.7Confident89.4Confident56 Ų5626.2 Ų26.230%0.29914%0.142SC..  trans-62.6138.5-179.4-68.1-45.5000111.5G47 G48 F97 P98 P1626G47-N76 VanDerWaalsContact C-OD1 3.28Å; G47-N76 WeakPolarHBondContact CA-OD1 3.24Å; G48-N76 PolarHBondContact N-OD1 2.54Å; N76-F97 WeakPolarHBondContact O-CD1 3.46Å; N76-P98 WeakPolarHBondContact O-CD 3.24Å; N76-P1626 PolarHBondContact ND2-O 2.82Å; N76-P1626 PolarHBondContact OD1-O 2.99Å
77I92.5Very high88.9Confident9 Ų929 Ų295%0.04618%0.175CC..  trans-79.2125.2178.9-60.6156.3000108.8T45 G47 I50 I80 L95 F97T45-I77 HydrophobicContact CG2-CD1 3.76Å; T45-I77 HydrophobicContact CG2-CG2 4.39Å; G47-I77 PolarHBondContact O-N 3.29Å; I50-I77 HydrophobicContact CD1-CD1 3.84Å; I50-I77 HydrophobicContact CG1-CD1 3.42Å; I50-I77 VanDerWaalsContact CG1-CD1 3.42Å; I77-I80 HydrophobicContact CG2-CB 4.29Å; I77-L95 HydrophobicContact CD1-CD2 3.92Å; I77-L95 HydrophobicContact CG1-CD2 4.09Å; I77-L95 HydrophobicContact CG2-CD2 3.8Å; I77-F97 HydrophobicContact CG1-CE1 3.84Å; I77-F97 HydrophobicContact CG1-CZ 4.49Å
78A91.8Very high88.5Confident21 Ų2130 Ų3017%0.17418%0.183CC..  trans-86.7-43.7-177.200000112.7S96 P98 L137A78-S96 PolarHBondContact N-O 3.05Å; A78-P98 HydrophobicContact CB-CG 4.35Å; A78-L137 HydrophobicContact CB-CB 4.33Å
79D92.8Very high88.3Confident25 Ų2532.9 Ų32.913%0.13420%0.198CC..EExtended strand (participates in β ladder)trans-153.6152.9178.9-159.5-17.6000108S96 L140 R141D79-S96 VanDerWaalsContact CB-OG 3.32Å; D79-S96 WeakPolarHBondContact CB-OG 3.44Å; D79-S96 PolarHBondContact N-OG 3.03Å; D79-S96 VanDerWaalsContact N-OG 3.07Å; D79-S96 PolarHBondContact O-N 2.84Å; D79-S96 PolarHBondContact O-OG 2.71Å; D79-L140 HydrophobicContact CB-CB 3.94Å; D79-L140 PolarHBondContact OD2-N 2.65Å; D79-R141 IonicContact OD1-NH1 3.56Å; D79-R141 IonicContact OD2-CZ 2.62Å; D79-R141 IonicContact OD2-NH1 3.5Å; D79-R141 PolarHBondContact OD2-NH1 2.95Å
80I94.9Very high88.3Confident7 Ų732 Ų324%0.03620%0.195CC..EExtended strand (participates in β ladder)trans-143.5132.5-175.1-173.3-179.2000110.7N28 L30 V43 T45 I77 L93 L94 L95N28-I80 HydrophobicContact CB-CG2 3.56Å; L30-I80 HydrophobicContact CD1-CB 4.36Å; L30-I80 HydrophobicContact CD1-CD1 4.02Å; L30-I80 HydrophobicContact CD1-CG1 3.73Å; L30-I80 HydrophobicContact CD1-CG2 4.08Å; L30-I80 HydrophobicContact CG-CG2 4.18Å; V43-I80 HydrophobicContact CG1-CD1 4.49Å; T45-I80 HydrophobicContact CG2-CD1 3.91Å; T45-I80 HydrophobicContact CG2-CG2 4.36Å; I77-I80 HydrophobicContact CG2-CB 4.29Å; I80-L93 HydrophobicContact CD1-CD1 4.4Å; I80-L93 HydrophobicContact CD1-CD2 4.46Å; I80-L94 WeakPolarHBondContact CA-O 3.35Å; I80-L95 HydrophobicContact CB-CD2 4.21Å; I80-L95 HydrophobicContact CD1-CD2 3.53Å; I80-L95 HydrophobicContact CG1-CD2 3.68Å
81V94.9Very high88.5Confident19 Ų1931.3 Ų31.312%0.11519%0.185CC..EExtended strand (participates in β ladder)trans-133.7152.3175.6-55.10000111.9L94 L140 L142V81-L94 HydrophobicContact CG2-CB 3.83Å; V81-L94 HydrophobicContact CG2-CD2 4.32Å; V81-L94 PolarHBondContact N-O 3.47Å; V81-L94 PolarHBondContact O-N 3.38Å; V81-L140 HydrophobicContact CG1-CD2 4.4Å; V81-L140 HydrophobicContact CG1-CG 4.19Å; V81-L140 HydrophobicContact CG2-CD2 3.83Å; V81-L140 HydrophobicContact CG2-CG 3.96Å; V81-L142 HydrophobicContact CG2-CB 4.41Å; V81-L142 HydrophobicContact CG2-CD1 4.25Å
82T94.5Very high88.8Confident37 Ų3730.6 Ų30.623%0.22718%0.181CC..EExtended strand (participates in β ladder)trans-87.7149.4172.7-178.90000111.4D91 S92 L142T82-D91 WeakPolarHBondContact OG1-CB 3.33Å; T82-S92 CarbonylContact C-O 3.34Å; T82-L142 VanDerWaalsContact O-CD2 3.31Å; T82-L142 WeakPolarHBondContact O-CD2 3.35Å
83V92.9Very high89.2Confident1 Ų129.7 Ų29.71%0.00618%0.175CC..EExtended strand (participates in β ladder)trans-147.4147.3170.170.90000110.5F85 D91 S92 L94 L142 F163V83-F85 HydrophobicContact CG1-CD1 4.4Å; V83-F85 HydrophobicContact CG1-CD2 4.38Å; V83-F85 HydrophobicContact CG1-CE1 3.84Å; V83-F85 HydrophobicContact CG1-CE2 3.82Å; V83-F85 HydrophobicContact CG1-CZ 3.52Å; V83-F85 HydrophobicContact CG2-CD1 4.4Å; V83-F85 HydrophobicContact CG2-CE1 4.23Å; V83-D91 CarbonylContact O-C 3.53Å; V83-D91 WeakPolarHBondContact O-CA 3.46Å; V83-S92 PolarHBondContact N-O 2.97Å; V83-S92 PolarHBondContact O-N 3.26Å; V83-L94 HydrophobicContact CB-CD1 4.22Å; V83-L94 HydrophobicContact CG1-CD1 3.39Å; V83-L142 HydrophobicContact CB-CD1 3.91Å; V83-L142 HydrophobicContact CG2-CD1 3.94Å; V83-F163 HydrophobicContact CG2-CD2 4.07Å; V83-F163 HydrophobicContact CG2-CE2 3.59Å; V83-F163 HydrophobicContact CG2-CZ 3.88Å
84R91Very high89.6Confident94 Ų9429.6 Ų29.636%0.35517%0.174SC..  trans-113.3113.2168.2-168.5172.4-60.6-169.2-0.6109.4H33 D91H33-R84 PolarHBondContact CD2-NH2 3.4Å; R84-D91 IonicContact CZ-OD1 2.75Å; R84-D91 IonicContact NE-OD1 3.98Å; R84-D91 PolarHBondContact NE-OD1 3.04Å; R84-D91 IonicContact NH2-OD1 2.77Å; R84-D91 PolarHBondContact NH2-OD1 2.82Å; R84-D91 IonicContact NH2-OD2 3.18Å
85F88.2Confident90.2Very high10 Ų1028.4 Ų28.44%0.04417%0.169CC..  trans-76152.9178.5-61.8-63.1000111.5V83 G87 D88 L94 V104 L117 F163 P194 L195V83-F85 HydrophobicContact CG1-CD1 4.4Å; V83-F85 HydrophobicContact CG1-CD2 4.38Å; V83-F85 HydrophobicContact CG1-CE1 3.84Å; V83-F85 HydrophobicContact CG1-CE2 3.82Å; V83-F85 HydrophobicContact CG1-CZ 3.52Å; V83-F85 HydrophobicContact CG2-CD1 4.4Å; V83-F85 HydrophobicContact CG2-CE1 4.23Å; F85-G87 PolarHBondContact O-N 3.09Å; F85-D88 PolarHBondContact O-N 3.26Å; F85-D88 VanDerWaalsContact O-N 3.08Å; F85-L94 HydrophobicContact CZ-CD1 4.36Å; F85-V104 HydrophobicContact CE2-CG1 3.73Å; F85-V104 HydrophobicContact CZ-CG1 3.76Å; F85-L117 HydrophobicContact CE2-CD1 4.23Å; F85-F163 HydrophobicContact CD1-CD1 4.43Å; F85-F163 AromaticContact CE1-CD1 3.8Å; F85-F163 HydrophobicContact CE1-CD1 3.8Å; F85-F163 AromaticContact CE1-CE1 3.95Å; F85-F163 HydrophobicContact CE1-CE1 3.95Å; F85-F163 HydrophobicContact CE1-CG 4.36Å; F85-P194 HydrophobicContact CB-CB 4Å; F85-P194 HydrophobicContact CD1-CB 3.8Å; F85-P194 HydrophobicContact CD2-CB 3.98Å; F85-P194 HydrophobicContact CD2-CG 4.18Å; F85-P194 HydrophobicContact CE1-CB 4.23Å; F85-P194 HydrophobicContact CE2-CB 4.4Å; F85-P194 HydrophobicContact CE2-CG 4.23Å; F85-P194 HydrophobicContact CG-CB 3.66Å; F85-P194 HydrophobicContact CG-CG 4.34Å; F85-P194 HydrophobicContact CZ-CG 4.42Å; F85-L195 HydrophobicContact CE1-CG 4.47Å
86T82.4Confident90.6Very high73 Ų7327.8 Ų27.845%0.44817%0.167SC..THydrogen-bonded Turntrans-66.9108.7-178550000111.7R164T86-R164 WeakPolarHBondContact CG2-O 3.43Å
87G78.2Confident90.8Very high77 Ų7725.1 Ų25.179%0.79415%0.152SC*.THydrogen-bonded Turntrans115.1-17.5-177.900000113.7F85F85-G87 PolarHBondContact O-N 3.09Å
88D82.2Confident90.5Very high61 Ų6126.6 Ų26.633%0.32616%0.162SC..  trans-88.2139.5175.6-69.4-33.2000111.2F85F85-D88 PolarHBondContact O-N 3.26Å; F85-D88 VanDerWaalsContact O-N 3.08Å
89L82.6Confident90.2Very high74 Ų7428.6 Ų28.639%0.38717%0.168SC..SBendtrans-89-17.8175.2-59-179.4000113P37 Y1192 L1194P37-L89 HydrophobicContact CB-CB 4.37Å; L89-Y1192 HydrophobicContact CD1-CD1 4.14Å; L89-Y1192 HydrophobicContact CD1-CE1 4.24Å; L89-L1194 HydrophobicContact CB-CD2 4.22Å; L89-L1194 HydrophobicContact CD1-CD2 3.89Å; L89-L1194 HydrophobicContact CG-CD2 4.06Å
90L88.8Confident90Very high7 Ų727.4 Ų27.44%0.03716%0.162CC..SBendtrans-104.2154.4-179.6-64.3175.3000110.7H33 L1194H33-L90 WeakPolarHBondContact O-CA 3.44Å; L90-L1194 HydrophobicContact CD1-CD1 3.79Å; L90-L1194 HydrophobicContact CG-CD1 4.17Å
91D92.5Very high89.9Confident13 Ų1327.9 Ų27.97%0.0716%0.163CC..PPolyproline II helixtrans-80.8134.9171.7-65-16.7000110.3C32 H33 L34 T82 V83 R84C32-D91 HydrophobicContact CB-CB 4.07Å; C32-D91 WeakPolarHBondContact CB-OD2 3.41Å; H33-D91 IonicContact CD2-OD2 2.76Å; H33-D91 PolarHBondContact N-OD2 3.05Å; H33-D91 PolarHBondContact O-N 3.33Å; L34-D91 WeakPolarHBondContact CD1-O 3.48Å; T82-D91 WeakPolarHBondContact OG1-CB 3.33Å; V83-D91 CarbonylContact O-C 3.53Å; V83-D91 WeakPolarHBondContact O-CA 3.46Å; R84-D91 IonicContact CZ-OD1 2.75Å; R84-D91 IonicContact NE-OD1 3.98Å; R84-D91 PolarHBondContact NE-OD1 3.04Å; R84-D91 IonicContact NH2-OD1 2.77Å; R84-D91 PolarHBondContact NH2-OD1 2.82Å; R84-D91 IonicContact NH2-OD2 3.18Å
92S93.8Very high89.8Confident0 Ų027 Ų270%016%0.158CC..EExtended strand (participates in β ladder)trans-96.8155.2168.5-68.90000110.9T82 V83 M105T82-S92 CarbonylContact C-O 3.34Å; V83-S92 PolarHBondContact N-O 2.97Å; V83-S92 PolarHBondContact O-N 3.26Å; S92-M105 CarbonylContact C-O 3.51Å; S92-M105 WeakPolarHBondContact CA-O 3.33Å; S92-M105 WeakPolarHBondContact CB-O 3.19Å
93L95Very high89.8Confident0 Ų025.2 Ų25.20%015%0.147CC..EExtended strand (participates in β ladder)trans-103.6131.2178-55.3174.8000110.3L30 L34 V43 I80 V104 M105 L114L30-L93 HydrophobicContact CD1-CD2 4.3Å; L34-L93 HydrophobicContact CD1-CD1 4.45Å; L34-L93 HydrophobicContact CD1-CG 4.2Å; L34-L93 HydrophobicContact CD2-CD1 3.87Å; L34-L93 HydrophobicContact CD2-CD2 4.49Å; L34-L93 HydrophobicContact CD2-CG 4.31Å; V43-L93 HydrophobicContact CG1-CD1 4.13Å; I80-L93 HydrophobicContact CD1-CD1 4.4Å; I80-L93 HydrophobicContact CD1-CD2 4.46Å; L93-V104 WeakPolarHBondContact O-CA 3.25Å; L93-M105 HydrophobicContact CB-CB 4.42Å; L93-M105 PolarHBondContact N-O 2.85Å; L93-M105 PolarHBondContact O-N 2.97Å; L93-L114 HydrophobicContact CD1-CD2 4.43Å
94L95Very high89.8Confident0 Ų025.1 Ų25.10%015%0.147CC..EExtended strand (participates in β ladder)trans-98.6124.7162.7-8558.4000108.5I80 V81 V83 F85 A103 V104 L140 A149 F163I80-L94 WeakPolarHBondContact CA-O 3.35Å; V81-L94 HydrophobicContact CG2-CB 3.83Å; V81-L94 HydrophobicContact CG2-CD2 4.32Å; V81-L94 PolarHBondContact N-O 3.47Å; V81-L94 PolarHBondContact O-N 3.38Å; V83-L94 HydrophobicContact CB-CD1 4.22Å; V83-L94 HydrophobicContact CG1-CD1 3.39Å; F85-L94 HydrophobicContact CZ-CD1 4.36Å; L94-A103 WeakPolarHBondContact CA-O 3.27Å; L94-V104 HydrophobicContact CD1-CG1 4.15Å; L94-V104 HydrophobicContact CD1-CG2 4.03Å; L94-V104 HydrophobicContact CG-CG2 4.08Å; L94-L140 HydrophobicContact CB-CD2 3.9Å; L94-A149 HydrophobicContact CD2-CB 3.66Å; L94-F163 HydrophobicContact CD2-CE1 4.45Å; L94-F163 HydrophobicContact CD2-CZ 4.14Å
95L94.9Very high89.9Confident0 Ų020.7 Ų20.70%013%0.13CC..EExtended strand (participates in β ladder)trans-110.4125.9177.5-62.3163.2000108.9I50 I77 I80 F97 V102 A103 M105 C1756I50-L95 HydrophobicContact CD1-CD1 3.67Å; I50-L95 HydrophobicContact CD1-CD2 3.86Å; I50-L95 HydrophobicContact CD1-CG 4.42Å; I77-L95 HydrophobicContact CD1-CD2 3.92Å; I77-L95 HydrophobicContact CG1-CD2 4.09Å; I77-L95 HydrophobicContact CG2-CD2 3.8Å; I80-L95 HydrophobicContact CB-CD2 4.21Å; I80-L95 HydrophobicContact CD1-CD2 3.53Å; I80-L95 HydrophobicContact CG1-CD2 3.68Å; L95-F97 HydrophobicContact CB-CE2 3.75Å; L95-F97 HydrophobicContact CB-CZ 3.65Å; L95-F97 HydrophobicContact CD1-CZ 4.16Å; L95-V102 CarbonylContact O-C 3.47Å; L95-V102 VanDerWaalsContact O-CA 3.27Å; L95-V102 WeakPolarHBondContact O-CA 3.47Å; L95-A103 PolarHBondContact N-O 3.49Å; L95-A103 PolarHBondContact O-N 2.91Å; L95-M105 HydrophobicContact CD1-CG 3.55Å; L95-M105 HydrophobicContact CG-CG 4.5Å; L95-C1756 VanDerWaalsContact CD1-SG 3.59Å
96S94.4Very high90Very high0 Ų021.6 Ų21.60%014%0.135CC..EExtended strand (participates in β ladder)trans-97.7151.9166.272.80000111.4A78 D79 K101 P138A78-S96 PolarHBondContact N-O 3.05Å; D79-S96 VanDerWaalsContact CB-OG 3.32Å; D79-S96 WeakPolarHBondContact CB-OG 3.44Å; D79-S96 PolarHBondContact N-OG 3.03Å; D79-S96 VanDerWaalsContact N-OG 3.07Å; D79-S96 PolarHBondContact O-N 2.84Å; D79-S96 PolarHBondContact O-OG 2.71Å; S96-K101 WeakPolarHBondContact CA-O 3.44Å; S96-P138 PolarHBondContact OG-O 3.08Å; S96-P138 VanDerWaalsContact OG-O 3.09Å
97F92.8Very high90.3Very high0 Ų018.3 Ų18.30%012%0.115CC..EExtended strand (participates in β ladder)trans-127.4146.8-178.9-59.1-81.4000111.3V73 E75 N76 I77 L95 E99 A100 K101 A103 C1756 M1758V73-F97 HydrophobicContact CG1-CE1 3.65Å; V73-F97 HydrophobicContact CG1-CZ 3.89Å; E75-F97 HydrophobicContact CB-CD1 4.05Å; E75-F97 HydrophobicContact CG-CB 4.39Å; E75-F97 HydrophobicContact CG-CD1 4.31Å; E75-F97 WeakPolarHBondContact OE1-CB 3.41Å; N76-F97 WeakPolarHBondContact O-CD1 3.46Å; I77-F97 HydrophobicContact CG1-CE1 3.84Å; I77-F97 HydrophobicContact CG1-CZ 4.49Å; L95-F97 HydrophobicContact CB-CE2 3.75Å; L95-F97 HydrophobicContact CB-CZ 3.65Å; L95-F97 HydrophobicContact CD1-CZ 4.16Å; F97-E99 PolarHBondContact O-N 3.16Å; F97-A100 PolarHBondContact O-N 2.94Å; F97-K101 HydrophobicContact CB-CB 4.17Å; F97-K101 HydrophobicContact CD2-CB 4.04Å; F97-K101 PolarHBondContact N-O 3.21Å; F97-A103 HydrophobicContact CE2-CB 3.81Å; F97-C1756 HydrophobicContact CE2-CB 4.46Å; F97-C1756 HydrophobicContact CZ-CB 4.18Å; F97-M1758 HydrophobicContact CD1-CE 3.74Å; F97-M1758 HydrophobicContact CD1-SD 4.23Å; F97-M1758 HydrophobicContact CD2-CE 4.28Å; F97-M1758 HydrophobicContact CD2-SD 4.19Å; F97-M1758 HydrophobicContact CE1-CE 3.39Å; F97-M1758 HydrophobicContact CE1-SD 4.39Å; F97-M1758 HydrophobicContact CE2-CE 3.95Å; F97-M1758 HydrophobicContact CE2-SD 4.33Å; F97-M1758 HydrophobicContact CG-CE 4.18Å; F97-M1758 HydrophobicContact CG-SD 4.13Å; F97-M1758 HydrophobicContact CZ-CE 3.5Å; F97-M1758 VanDerWaalsContact CZ-CE 3.5Å; F97-M1758 HydrophobicContact CZ-SD 4.43Å
98P87.9Confident90.6Very high40 Ų4016.1 Ų16.126%0.269%0.085SC..THydrogen-bonded Turntrans-48.1-35.6-172.4-33.236.1000115.9N76 A78 A100 L137N76-P98 WeakPolarHBondContact O-CD 3.24Å; A78-P98 HydrophobicContact CB-CG 4.35Å; P98-A100 PolarHBondContact O-N 2.81Å; P98-L137 HydrophobicContact CB-CD2 3.9Å; P98-L137 HydrophobicContact CG-CD2 4.27Å
99E85Confident90.3Very high62 Ų6214.9 Ų14.929%0.298%0.08SC..THydrogen-bonded Turntrans-77.7-0.3-177-66.3171.4-173.400113.4F97 K101 E123 Y154 R1624F97-E99 PolarHBondContact O-N 3.16Å; E99-K101 IonicContact OE2-NZ 3.12Å; E99-K101 PolarHBondContact OE2-NZ 3.06Å; E99-E123 HydrophobicContact CB-CG 4.25Å; E99-E123 VanDerWaalsContact CB-OE1 3.3Å; E99-E123 WeakPolarHBondContact CB-OE1 3.35Å; E99-E123 WeakPolarHBondContact O-CG 3.32Å; E99-Y154 PolarHBondContact O-OH 2.95Å; E99-R1624 IonicContact OE1-CZ 3.75Å; E99-R1624 IonicContact OE1-NH1 3.95Å; E99-R1624 PolarHBondContact OE1-NH1 3.4Å; E99-R1624 IonicContact OE1-NH2 2.76Å
100A88.4Confident90Very high0 Ų014.7 Ų14.70%08%0.082CC..THydrogen-bonded Turntrans79.445-174.600000115F97 P98 Y122 P138 M151 V153 Y154F97-A100 PolarHBondContact O-N 2.94Å; P98-A100 PolarHBondContact O-N 2.81Å; A100-Y122 WeakPolarHBondContact O-CB 3.28Å; A100-Y122 WeakPolarHBondContact O-CD2 3.25Å; A100-Y122 PolarHBondContact O-N 3.11Å; A100-P138 HydrophobicContact CB-CG 4.1Å; A100-M151 HydrophobicContact CB-CE 4.14Å; A100-V153 HydrophobicContact CB-CG1 4.21Å; A100-V153 HydrophobicContact CB-CG2 4.39Å; A100-Y154 HydrophobicContact CB-CE1 3.96Å; A100-Y154 HydrophobicContact CB-CE2 4.49Å
101K92Very high89.5Confident17 Ų1715.7 Ų15.77%0.0749%0.089CC..EExtended strand (participates in β ladder)trans-97.5151.4164-44.7175.3-17566.80110.3E75 S96 F97 E99 L119 H120 E123 M1758E75-K101 IonicContact OE1-NZ 3.79Å; E75-K101 PolarHBondContact OE1-NZ 2.65Å; E75-K101 WeakPolarHBondContact OE2-CE 3.33Å; E75-K101 IonicContact OE2-NZ 2.71Å; E75-K101 PolarHBondContact OE2-NZ 2.91Å; S96-K101 WeakPolarHBondContact CA-O 3.44Å; F97-K101 HydrophobicContact CB-CB 4.17Å; F97-K101 HydrophobicContact CD2-CB 4.04Å; F97-K101 PolarHBondContact N-O 3.21Å; E99-K101 IonicContact OE2-NZ 3.12Å; E99-K101 PolarHBondContact OE2-NZ 3.06Å; K101-L119 HydrophobicContact CB-CD1 4.21Å; K101-H120 CarbonylContact C-O 3.51Å; K101-H120 WeakPolarHBondContact CA-O 3.49Å; K101-E123 WeakPolarHBondContact CE-OE1 3.3Å; K101-E123 WeakPolarHBondContact CG-OE1 3.27Å; K101-E123 IonicContact NZ-OE1 3.93Å; K101-E123 PolarHBondContact NZ-OE1 3.35Å; K101-M1758 HydrophobicContact CD-CG 4.35Å; K101-M1758 HydrophobicContact CD-SD 3.79Å
102V93.8Very high89Confident0 Ų017.1 Ų17.10%09%0.094CC..EExtended strand (participates in β ladder)trans-127.7122166.1-178.40000109.7L95 H120 Y122 M151 L161L95-V102 CarbonylContact O-C 3.47Å; L95-V102 VanDerWaalsContact O-CA 3.27Å; L95-V102 WeakPolarHBondContact O-CA 3.47Å; V102-H120 HydrophobicContact CB-CB 4.47Å; V102-H120 PolarHBondContact N-O 3.35Å; V102-H120 PolarHBondContact O-N 3.08Å; V102-Y122 HydrophobicContact CG2-CE2 4.3Å; V102-M151 HydrophobicContact CG2-CB 4.4Å; V102-M151 HydrophobicContact CG2-CE 3.56Å; V102-M151 HydrophobicContact CG2-CG 4.47Å; V102-M151 HydrophobicContact CG2-SD 3.28Å; V102-M151 WeakPolarHBondContact CG2-SD 3.45Å; V102-L161 HydrophobicContact CG1-CD2 4.16Å
103A93.5Very high88.6Confident0 Ų020.1 Ų20.10%011%0.108CC..EExtended strand (participates in β ladder)trans-105.1142169.800000110.8L94 L95 F97 S118 L119 C1756L94-A103 WeakPolarHBondContact CA-O 3.27Å; L95-A103 PolarHBondContact N-O 3.49Å; L95-A103 PolarHBondContact O-N 2.91Å; F97-A103 HydrophobicContact CE2-CB 3.81Å; A103-S118 WeakPolarHBondContact CA-O 3.34Å; A103-L119 HydrophobicContact CB-CD1 4.19Å; A103-C1756 HydrophobicContact CB-CB 3.71Å
104V93.2Very high88.3Confident0 Ų020.8 Ų20.80%011%0.112CC..EExtended strand (participates in β ladder)trans-104.8123.2170.5-177.80000108.1F85 L93 L94 T116 L117 S118 L195F85-V104 HydrophobicContact CE2-CG1 3.73Å; F85-V104 HydrophobicContact CZ-CG1 3.76Å; L93-V104 WeakPolarHBondContact O-CA 3.25Å; L94-V104 HydrophobicContact CD1-CG1 4.15Å; L94-V104 HydrophobicContact CD1-CG2 4.03Å; L94-V104 HydrophobicContact CG-CG2 4.08Å; V104-T116 WeakPolarHBondContact O-CA 3.31Å; V104-L117 HydrophobicContact CB-CB 4.33Å; V104-L117 HydrophobicContact CG1-CB 4.08Å; V104-L117 HydrophobicContact CG1-CD1 4.17Å; V104-L117 PolarHBondContact O-N 2.99Å; V104-S118 WeakPolarHBondContact CG2-OG 3.46Å; V104-S118 PolarHBondContact N-O 2.98Å; V104-L195 HydrophobicContact CG2-CD1 4.14Å
105M92.5Very high87.9Confident1 Ų127 Ų271%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-117139.9179.7-57.9-62.5-68.700110.1S92 L93 L95 L114 R115 T116 I1755 C1756S92-M105 CarbonylContact C-O 3.51Å; S92-M105 WeakPolarHBondContact CA-O 3.33Å; S92-M105 WeakPolarHBondContact CB-O 3.19Å; L93-M105 HydrophobicContact CB-CB 4.42Å; L93-M105 PolarHBondContact N-O 2.85Å; L93-M105 PolarHBondContact O-N 2.97Å; L95-M105 HydrophobicContact CD1-CG 3.55Å; L95-M105 HydrophobicContact CG-CG 4.5Å; M105-L114 HydrophobicContact CE-CB 3.9Å; M105-R115 CarbonylContact C-O 3.56Å; M105-R115 VanDerWaalsContact CA-O 3.3Å; M105-R115 WeakPolarHBondContact CA-O 3.39Å; M105-T116 VanDerWaalsContact SD-CA 3.59Å; M105-T116 HydrophobicContact SD-CG2 4.05Å; M105-T116 PolarHBondContact SD-OG1 3.03Å; M105-I1755 HydrophobicContact CE-CG2 4.34Å; M105-C1756 HydrophobicContact SD-CB 4.3Å
106N90.4Very high87.6Confident28 Ų2829.5 Ų29.515%0.1515%0.15CC..EExtended strand (participates in β ladder)trans-127.9145.1171.3-170.6-1000108.9R115 L117N106-R115 PolarHBondContact N-O 3Å; N106-R115 PolarHBondContact O-N 2.91Å; N106-L117 HydrophobicContact CB-CD1 3.68Å; N106-L117 HydrophobicContact CB-CD2 4.14Å; N106-L117 HydrophobicContact CB-CG 3.8Å
107F89.2Confident87.3Confident4 Ų433.4 Ų33.42%0.01817%0.171CC..EExtended strand (participates in β ladder)trans-82.9124176.9-173.3-97.4000109.8L34 T35 I52 Y69 P109 F112 L114L34-F107 HydrophobicContact CD1-CB 3.7Å; L34-F107 HydrophobicContact CG-CB 3.96Å; L34-F107 WeakPolarHBondContact O-CB 3.39Å; T35-F107 HydrophobicContact CG2-CD1 3.98Å; T35-F107 HydrophobicContact CG2-CD2 4.44Å; T35-F107 HydrophobicContact CG2-CE1 3.73Å; T35-F107 HydrophobicContact CG2-CE2 4.22Å; T35-F107 HydrophobicContact CG2-CG 4.32Å; T35-F107 HydrophobicContact CG2-CZ 3.85Å; I52-F107 HydrophobicContact CD1-CD2 4.21Å; I52-F107 HydrophobicContact CD1-CE2 4.39Å; Y69-F107 HydrophobicContact CD1-CE2 4.5Å; Y69-F107 HydrophobicContact CG-CE2 4.44Å; F107-P109 VanDerWaalsContact O-CD 3.23Å; F107-P109 WeakPolarHBondContact O-CD 3.36Å; F107-F112 HydrophobicContact CE1-CD2 4.16Å; F107-F112 HydrophobicContact CE1-CE2 4.36Å; F107-F112 HydrophobicContact CE1-CG 4.32Å; F107-F112 HydrophobicContact CE2-CD1 4.35Å; F107-F112 HydrophobicContact CZ-CB 4.31Å; F107-F112 AromaticContact CZ-CD1 3.64Å; F107-F112 HydrophobicContact CZ-CD1 3.64Å; F107-F112 AromaticContact CZ-CD2 3.92Å; F107-F112 HydrophobicContact CZ-CD2 3.92Å; F107-F112 AromaticContact CZ-CE1 3.91Å; F107-F112 HydrophobicContact CZ-CE1 3.91Å; F107-F112 HydrophobicContact CZ-CE2 4.15Å; F107-F112 AromaticContact CZ-CG 3.68Å; F107-F112 HydrophobicContact CZ-CG 3.68Å; F107-F112 HydrophobicContact CZ-CZ 4.16Å; F107-L114 HydrophobicContact CB-CD2 4.08Å; F107-L114 HydrophobicContact CD2-CD2 4.1Å; F107-L114 HydrophobicContact CD2-CG 4.34Å
108N84.4Confident87.1Confident32 Ų3234.6 Ų34.617%0.17118%0.179CC..EExtended strand (participates in β ladder)trans-90.2106.7175.6177.229.8000110V110 T111 F112 E113 R115N108-V110 PolarHBondContact O-N 3.04Å; N108-V110 VanDerWaalsContact O-N 3.13Å; N108-V110 WeakPolarHBondContact OD1-CB 3.44Å; N108-V110 PolarHBondContact OD1-N 3.09Å; N108-T111 PolarHBondContact ND2-N 2.86Å; N108-T111 VanDerWaalsContact ND2-N 3.17Å; N108-T111 PolarHBondContact ND2-OG1 2.77Å; N108-T111 PolarHBondContact O-N 2.95Å; N108-F112 VanDerWaalsContact O-CA 3.29Å; N108-F112 WeakPolarHBondContact O-CA 3.47Å; N108-F112 PolarHBondContact O-N 3.48Å; N108-E113 PolarHBondContact N-O 2.82Å; N108-E113 PolarHBondContact O-N 3.26Å; N108-R115 HydrophobicContact CB-CG 4.11Å; N108-R115 PolarHBondContact ND2-NE 3.02Å
109P77.1Confident87.2Confident34 Ų3436 Ų3622%0.22118%0.184CC..THydrogen-bonded Turntrans-65.9-16178.428.7-36.3000113.1F107 L1194F107-P109 VanDerWaalsContact O-CD 3.23Å; F107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-L1194 HydrophobicContact CG-CD1 4.15Å
110V75.5Confident87.5Confident71 Ų7134.6 Ų34.643%0.4318%0.177SC..THydrogen-bonded Turntrans-76.2-40.7-179.6-176.40000112.6N108N108-V110 PolarHBondContact O-N 3.04Å; N108-V110 VanDerWaalsContact O-N 3.13Å; N108-V110 WeakPolarHBondContact OD1-CB 3.44Å; N108-V110 PolarHBondContact OD1-N 3.09Å
111T78.2Confident87.7Confident28 Ų2837.7 Ų37.717%0.17219%0.194CC..THydrogen-bonded Turntrans-103.9-7.4174.963.10000113.8N108 E113N108-T111 PolarHBondContact ND2-N 2.86Å; N108-T111 VanDerWaalsContact ND2-N 3.17Å; N108-T111 PolarHBondContact ND2-OG1 2.77Å; N108-T111 PolarHBondContact O-N 2.95Å; T111-E113 WeakPolarHBondContact CB-OE2 3.36Å; T111-E113 PolarHBondContact OG1-OE2 3.01Å
112F82.6Confident87.6Confident43 Ų4337.3 Ų37.319%0.18919%0.192CC..THydrogen-bonded Turntrans60.348.6-179.5-144.1-88.5000112.5V68 Y69 F107 N108 L1184 R1207V68-F112 HydrophobicContact CG1-CE1 3.55Å; V68-F112 HydrophobicContact CG1-CZ 3.64Å; Y69-F112 WeakPolarHBondContact CD2-O 3.24Å; F107-F112 HydrophobicContact CE1-CD2 4.16Å; F107-F112 HydrophobicContact CE1-CE2 4.36Å; F107-F112 HydrophobicContact CE1-CG 4.32Å; F107-F112 HydrophobicContact CE2-CD1 4.35Å; F107-F112 HydrophobicContact CZ-CB 4.31Å; F107-F112 AromaticContact CZ-CD1 3.64Å; F107-F112 HydrophobicContact CZ-CD1 3.64Å; F107-F112 AromaticContact CZ-CD2 3.92Å; F107-F112 HydrophobicContact CZ-CD2 3.92Å; F107-F112 AromaticContact CZ-CE1 3.91Å; F107-F112 HydrophobicContact CZ-CE1 3.91Å; F107-F112 HydrophobicContact CZ-CE2 4.15Å; F107-F112 AromaticContact CZ-CG 3.68Å; F107-F112 HydrophobicContact CZ-CG 3.68Å; F107-F112 HydrophobicContact CZ-CZ 4.16Å; N108-F112 VanDerWaalsContact O-CA 3.29Å; N108-F112 WeakPolarHBondContact O-CA 3.47Å; N108-F112 PolarHBondContact O-N 3.48Å; F112-L1184 HydrophobicContact CB-CD1 3.54Å; F112-L1184 HydrophobicContact CD1-CD1 4.43Å; F112-L1184 HydrophobicContact CD2-CD1 3.9Å; F112-L1184 HydrophobicContact CD2-CD2 4.25Å; F112-L1184 HydrophobicContact CE2-CD2 4.29Å; F112-L1184 HydrophobicContact CG-CD1 3.72Å; F112-L1184 HydrophobicContact CG-CD2 4.39Å; F112-L1184 HydrophobicContact CZ-CD2 4.45Å; F112-R1207 PolarHBondContact O-NH1 2.77Å
113E84.4Confident87.3Confident63 Ų6339.6 Ų39.629%0.29420%0.203SC..EExtended strand (participates in β ladder)trans-142.3150.5-173.6-67.5167.5139.200111.6Y69 N108 T111 R115Y69-E113 HydrophobicContact CE2-CG 4.26Å; N108-E113 PolarHBondContact N-O 2.82Å; N108-E113 PolarHBondContact O-N 3.26Å; T111-E113 WeakPolarHBondContact CB-OE2 3.36Å; T111-E113 PolarHBondContact OG1-OE2 3.01Å; E113-R115 PolarHBondContact O-N 3.34Å
114L88.2Confident87Confident14 Ų1445.4 Ų45.47%0.07323%0.229CC..EExtended strand (participates in β ladder)trans-77.3118.7169-72.7172.4000110.8L34 I50 I52 Y69 T71 L93 M105 F107L34-L114 HydrophobicContact CD1-CD2 4.3Å; L34-L114 HydrophobicContact CD2-CD2 4.37Å; I50-L114 HydrophobicContact CD1-CD1 4.46Å; I50-L114 HydrophobicContact CG2-CD1 4.03Å; I52-L114 HydrophobicContact CD1-CD1 4.29Å; I52-L114 HydrophobicContact CD1-CD2 4.43Å; I52-L114 HydrophobicContact CD1-CG 4.36Å; Y69-L114 HydrophobicContact CD1-CD1 4.31Å; Y69-L114 HydrophobicContact CD1-CG 4.2Å; Y69-L114 HydrophobicContact CE1-CB 4.07Å; Y69-L114 HydrophobicContact CE1-CD1 4.06Å; Y69-L114 HydrophobicContact CE1-CG 3.86Å; T71-L114 HydrophobicContact CG2-CD1 4.28Å; L93-L114 HydrophobicContact CD1-CD2 4.43Å; M105-L114 HydrophobicContact CE-CB 3.9Å; F107-L114 HydrophobicContact CB-CD2 4.08Å; F107-L114 HydrophobicContact CD2-CD2 4.1Å; F107-L114 HydrophobicContact CD2-CG 4.34Å
115R87.4Confident86.6Confident130 Ų13053.4 Ų53.449%0.49127%0.266SS..EExtended strand (participates in β ladder)trans-106.8145.8175.7-67.2-170.7173.5-167.6-4.9111.5M105 N106 N108 E113M105-R115 CarbonylContact C-O 3.56Å; M105-R115 VanDerWaalsContact CA-O 3.3Å; M105-R115 WeakPolarHBondContact CA-O 3.39Å; N106-R115 PolarHBondContact N-O 3Å; N106-R115 PolarHBondContact O-N 2.91Å; N108-R115 HydrophobicContact CB-CG 4.11Å; N108-R115 PolarHBondContact ND2-NE 3.02Å; E113-R115 PolarHBondContact O-N 3.34Å
116T89.6Confident86.4Confident52 Ų5258.9 Ų58.932%0.31930%0.295SS..EExtended strand (participates in β ladder)trans-81.6127.3174.7-50.50000110.6V104 M105 S118 C1756V104-T116 WeakPolarHBondContact O-CA 3.31Å; M105-T116 VanDerWaalsContact SD-CA 3.59Å; M105-T116 HydrophobicContact SD-CG2 4.05Å; M105-T116 PolarHBondContact SD-OG1 3.03Å; T116-S118 WeakPolarHBondContact CG2-O 3.45Å; T116-C1756 VanDerWaalsContact OG1-CA 3.24Å; T116-C1756 WeakPolarHBondContact OG1-CA 3.27Å; T116-C1756 PolarHBondContact OG1-N 2.98Å
117L87.8Confident86.3Confident82 Ų8258.2 Ų58.243%0.42929%0.291SS..EExtended strand (participates in β ladder)trans-91.8-39.5172.5-64.2-173.4000112.1F85 V104 N106F85-L117 HydrophobicContact CE2-CD1 4.23Å; V104-L117 HydrophobicContact CB-CB 4.33Å; V104-L117 HydrophobicContact CG1-CB 4.08Å; V104-L117 HydrophobicContact CG1-CD1 4.17Å; V104-L117 PolarHBondContact O-N 2.99Å; N106-L117 HydrophobicContact CB-CD1 3.68Å; N106-L117 HydrophobicContact CB-CD2 4.14Å; N106-L117 HydrophobicContact CB-CG 3.8Å
118S88.8Confident86.1Confident26 Ų2660.8 Ų60.818%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-155.7161175.171.10000112.3A103 V104 T116 H120A103-S118 WeakPolarHBondContact CA-O 3.34Å; V104-S118 WeakPolarHBondContact CG2-OG 3.46Å; V104-S118 PolarHBondContact N-O 2.98Å; T116-S118 WeakPolarHBondContact CG2-O 3.45Å; S118-H120 PolarHBondContact OG-CD2 3.3Å; S118-H120 PolarHBondContact OG-NE2 3.35Å
119L89.8Confident86.1Confident68 Ų6862.4 Ų62.436%0.35632%0.317SS..EExtended strand (participates in β ladder)trans-131.9129.2169.4174.263.2000108.4K101 A103K101-L119 HydrophobicContact CB-CD1 4.21Å; A103-L119 HydrophobicContact CB-CD1 4.19Å
120H91.4Very high86.4Confident33 Ų3364.5 Ų64.515%0.15334%0.344CS..EExtended strand (participates in β ladder)trans-118.6121.5177.7-58.6-99.2000108.5K101 V102 S118 Y122 T198K101-H120 CarbonylContact C-O 3.51Å; K101-H120 WeakPolarHBondContact CA-O 3.49Å; V102-H120 HydrophobicContact CB-CB 4.47Å; V102-H120 PolarHBondContact N-O 3.35Å; V102-H120 PolarHBondContact O-N 3.08Å; S118-H120 PolarHBondContact OG-CD2 3.3Å; S118-H120 PolarHBondContact OG-NE2 3.35Å; H120-Y122 HydrophobicContact CB-CE2 3.77Å; H120-T198 WeakPolarHBondContact ND1-CG2 3.39Å
121N91.1Very high86.7Confident66 Ų6664.3 Ų64.335%0.35334%0.336SS..EExtended strand (participates in β ladder)trans-110.2132.3-179.3-170.8-15.5000110.4E123 F124N121-E123 PolarHBondContact ND2-OE2 3.32Å; N121-E123 WeakPolarHBondContact OD1-CB 3.48Å; N121-E123 WeakPolarHBondContact OD1-CG 3.42Å; N121-E123 PolarHBondContact OD1-N 3.48Å; N121-E123 PolarHBondContact OD1-OE2 3.04Å; N121-F124 VanDerWaalsContact O-CE2 3.28Å; N121-F124 WeakPolarHBondContact O-CE2 3.37Å
122Y91.7Very high86.5Confident9 Ų968.9 Ų68.94%0.03536%0.356CS..  trans-120.321.2178.5-53.9-81.5000113.2A100 V102 H120 F124 M151 V153 A159 T198 T200A100-Y122 WeakPolarHBondContact O-CB 3.28Å; A100-Y122 WeakPolarHBondContact O-CD2 3.25Å; A100-Y122 PolarHBondContact O-N 3.11Å; V102-Y122 HydrophobicContact CG2-CE2 4.3Å; H120-Y122 HydrophobicContact CB-CE2 3.77Å; Y122-F124 PolarHBondContact O-N 3.06Å; Y122-M151 HydrophobicContact CD2-CE 3.69Å; Y122-M151 HydrophobicContact CE2-CE 4.18Å; Y122-V153 HydrophobicContact CG-CG2 4.42Å; Y122-A159 HydrophobicContact CD1-CB 3.96Å; Y122-A159 HydrophobicContact CD2-CB 4.12Å; Y122-A159 HydrophobicContact CE1-CB 3.71Å; Y122-A159 HydrophobicContact CE2-CB 3.88Å; Y122-A159 HydrophobicContact CG-CB 4.16Å; Y122-T198 WeakPolarHBondContact OH-CB 3.32Å; Y122-T198 PolarHBondContact OH-OG1 2.91Å; Y122-T200 HydrophobicContact CD1-CG2 3.7Å; Y122-T200 HydrophobicContact CE1-CG2 3.98Å
123E86.9Confident86.2Confident48 Ų4873 Ų7322%0.22438%0.38CS..  trans-67.76.3-174.8-78.3157.7-171.900116.9E99 K101 N121 K128 Y154E99-E123 HydrophobicContact CB-CG 4.25Å; E99-E123 VanDerWaalsContact CB-OE1 3.3Å; E99-E123 WeakPolarHBondContact CB-OE1 3.35Å; E99-E123 WeakPolarHBondContact O-CG 3.32Å; K101-E123 WeakPolarHBondContact CE-OE1 3.3Å; K101-E123 WeakPolarHBondContact CG-OE1 3.27Å; K101-E123 IonicContact NZ-OE1 3.93Å; K101-E123 PolarHBondContact NZ-OE1 3.35Å; N121-E123 PolarHBondContact ND2-OE2 3.32Å; N121-E123 WeakPolarHBondContact OD1-CB 3.48Å; N121-E123 WeakPolarHBondContact OD1-CG 3.42Å; N121-E123 PolarHBondContact OD1-N 3.48Å; N121-E123 PolarHBondContact OD1-OE2 3.04Å; E123-K128 VanDerWaalsContact O-CE 3.31Å; E123-K128 WeakPolarHBondContact O-CE 3.42Å; E123-K128 PolarHBondContact O-NZ 2.72Å; E123-Y154 WeakPolarHBondContact CA-OH 3.49Å
124F87Confident86.2Confident122 Ų12272.9 Ų72.954%0.53538%0.379SS..  trans-60.4133.6-171.7-51.2-72.2000113N121 Y122 N126 L127 K128N121-F124 VanDerWaalsContact O-CE2 3.28Å; N121-F124 WeakPolarHBondContact O-CE2 3.37Å; Y122-F124 PolarHBondContact O-N 3.06Å; F124-N126 WeakPolarHBondContact CB-OD1 3.25Å; F124-N126 PolarHBondContact O-N 2.74Å; F124-N126 VanDerWaalsContact O-N 3.15Å; F124-L127 HydrophobicContact CB-CD1 4.46Å; F124-L127 HydrophobicContact CD2-CD1 4.1Å; F124-L127 PolarHBondContact O-N 2.83Å; F124-L127 VanDerWaalsContact O-N 3.08Å; F124-K128 PolarHBondContact O-N 2.65Å
125E84.8Confident85.7Confident167 Ų16777 Ų7778%0.7841%0.405SS*.Hα-helixtrans-60.4-28.5-174.8-62.2-173.6154.200113.8K128 S129E125-K128 PolarHBondContact O-N 2.98Å; E125-S129 PolarHBondContact O-N 3.28Å
126N87.6Confident85.4Confident117 Ų11773.1 Ų73.163%0.62639%0.392SS*.Hα-helixtrans-63.2-40.7175.960.7-15000112.2F124 S129F124-N126 WeakPolarHBondContact CB-OD1 3.25Å; F124-N126 PolarHBondContact O-N 2.74Å; F124-N126 VanDerWaalsContact O-N 3.15Å; N126-S129 PolarHBondContact O-N 2.83Å; N126-S129 PolarHBondContact O-OG 3.01Å
127L87.9Confident85.3Confident13 Ų1375.7 Ų75.77%0.06840%0.403CS..Hα-helixtrans-70.4-36.3177.3-59.3176.7000111.8F124 S129 V153 Y154 R156 H157 T200F124-L127 HydrophobicContact CB-CD1 4.46Å; F124-L127 HydrophobicContact CD2-CD1 4.1Å; F124-L127 PolarHBondContact O-N 2.83Å; F124-L127 VanDerWaalsContact O-N 3.08Å; L127-S129 VanDerWaalsContact C-N 3.29Å; L127-V153 HydrophobicContact CB-CG1 4.37Å; L127-V153 HydrophobicContact CD1-CG1 4.18Å; L127-Y154 HydrophobicContact CB-CD2 3.88Å; L127-Y154 HydrophobicContact CB-CE2 4.17Å; L127-R156 PolarHBondContact O-NH2 3.17Å; L127-H157 HydrophobicContact CD2-CB 4.28Å; L127-H157 PolarHBondContact O-CD2 3.38Å; L127-H157 PolarHBondContact O-NE2 3.2Å; L127-T200 HydrophobicContact CD1-CG2 4.3Å
128K86.3Confident85.5Confident59 Ų5972.1 Ų72.126%0.25739%0.385SS..Hα-helixtrans-62.5-39.9170.6-63.7177.9175.6157.60110.8E123 F124 E125 G130 R131 F134 Y154E123-K128 VanDerWaalsContact O-CE 3.31Å; E123-K128 WeakPolarHBondContact O-CE 3.42Å; E123-K128 PolarHBondContact O-NZ 2.72Å; F124-K128 PolarHBondContact O-N 2.65Å; E125-K128 PolarHBondContact O-N 2.98Å; K128-G130 VanDerWaalsContact C-N 3.33Å; K128-R131 PolarHBondContact O-N 3.24Å; K128-R131 PolarHBondContact O-NE 2.99Å; K128-R131 VanDerWaalsContact O-NE 3.16Å; K128-F134 HydrophobicContact CB-CZ 4.06Å; K128-F134 HydrophobicContact CD-CZ 4.5Å; K128-F134 HydrophobicContact CG-CZ 3.88Å; K128-Y154 HydrophobicContact CB-CD2 4.45Å; K128-Y154 HydrophobicContact CB-CE2 4.49Å; K128-Y154 HydrophobicContact CD-CE2 4.29Å; K128-Y154 VanDerWaalsContact CE-CZ 3.46Å; K128-Y154 WeakPolarHBondContact CE-OH 3.32Å; K128-Y154 HydrophobicContact CG-CD2 3.73Å; K128-Y154 HydrophobicContact CG-CE1 4.43Å; K128-Y154 HydrophobicContact CG-CE2 3.37Å; K128-Y154 HydrophobicContact CG-CG 4.39Å
129S84.5Confident85.8Confident66 Ų6671.8 Ų71.846%0.46238%0.381SS..THydrogen-bonded Turntrans54.444.9-174.6-500000112.7E125 N126 L127 R131 R156E125-S129 PolarHBondContact O-N 3.28Å; N126-S129 PolarHBondContact O-N 2.83Å; N126-S129 PolarHBondContact O-OG 3.01Å; L127-S129 VanDerWaalsContact C-N 3.29Å; S129-R131 VanDerWaalsContact C-N 3.26Å; S129-R131 PolarHBondContact O-N 3.1Å; S129-R156 PolarHBondContact OG-NH2 2.89Å
130G82.6Confident86Confident77 Ų7768.6 Ų68.679%0.79436%0.364SS*.THydrogen-bonded Turntrans75.70.5178.600000116K128K128-G130 VanDerWaalsContact C-N 3.33Å
131R82.1Confident86.2Confident68 Ų6869.3 Ų69.326%0.25737%0.365SS..  trans-78.1139.3169.9-64.4176.6-64.31494.8110.4K128 S129 F134 Y154 D155K128-R131 PolarHBondContact O-N 3.24Å; K128-R131 PolarHBondContact O-NE 2.99Å; K128-R131 VanDerWaalsContact O-NE 3.16Å; S129-R131 VanDerWaalsContact C-N 3.26Å; S129-R131 PolarHBondContact O-N 3.1Å; R131-F134 HydrophobicContact CB-CD1 4.49Å; R131-F134 HydrophobicContact CB-CE1 3.76Å; R131-F134 HydrophobicContact CB-CZ 4.21Å; R131-F134 VanDerWaalsContact O-CZ 3.29Å; R131-F134 WeakPolarHBondContact O-CZ 3.2Å; R131-Y154 PolarHBondContact NH1-O 2.82Å; R131-Y154 PolarHBondContact NH2-O 2.92Å; R131-D155 IonicContact CZ-OD2 3.98Å; R131-D155 IonicContact NH1-OD2 3.8Å; R131-D155 PolarHBondContact NH1-OD2 2.9Å
132M74.8Confident86.4Confident123 Ų12367.7 Ų67.761%0.60636%0.356SS*.SBendtrans-97.1-38.3172.2-63.6-60.8-64.700111.9F134M132-F134 WeakPolarHBondContact O-CE2 3.4Å
133N76.4Confident86.5Confident130 Ų13067.2 Ų67.270%0.69536%0.355SS*.  trans-106.7142.9-178.2-60.823000109.8
134F82.9Confident86.7Confident61 Ų6166.9 Ų66.927%0.26836%0.357SS..  trans-127.3151-177-54.3-74.3000109.4K128 R131 M132 Y154K128-F134 HydrophobicContact CB-CZ 4.06Å; K128-F134 HydrophobicContact CD-CZ 4.5Å; K128-F134 HydrophobicContact CG-CZ 3.88Å; R131-F134 HydrophobicContact CB-CD1 4.49Å; R131-F134 HydrophobicContact CB-CE1 3.76Å; R131-F134 HydrophobicContact CB-CZ 4.21Å; R131-F134 VanDerWaalsContact O-CZ 3.29Å; R131-F134 WeakPolarHBondContact O-CZ 3.2Å; M132-F134 WeakPolarHBondContact O-CE2 3.4Å; F134-Y154 AromaticContact CD1-CD1 3.8Å; F134-Y154 HydrophobicContact CD1-CD1 3.8Å; F134-Y154 HydrophobicContact CD1-CG 4Å; F134-Y154 AromaticContact CD2-CD1 3.77Å; F134-Y154 HydrophobicContact CD2-CD1 3.77Å; F134-Y154 HydrophobicContact CD2-CE1 4.21Å; F134-Y154 AromaticContact CE1-CD1 3.71Å; F134-Y154 HydrophobicContact CE1-CD1 3.71Å; F134-Y154 AromaticContact CE1-CG 3.7Å; F134-Y154 HydrophobicContact CE1-CG 3.7Å; F134-Y154 AromaticContact CE2-CD1 3.68Å; F134-Y154 HydrophobicContact CE2-CD1 3.68Å; F134-Y154 AromaticContact CE2-CE1 3.89Å; F134-Y154 HydrophobicContact CE2-CE1 3.89Å; F134-Y154 HydrophobicContact CE2-CG 4.43Å; F134-Y154 AromaticContact CG-CD1 3.84Å; F134-Y154 HydrophobicContact CG-CD1 3.84Å; F134-Y154 HydrophobicContact CG-CG 4.49Å; F134-Y154 AromaticContact CZ-CD1 3.65Å; F134-Y154 HydrophobicContact CZ-CD1 3.65Å; F134-Y154 HydrophobicContact CZ-CE1 4.11Å; F134-Y154 AromaticContact CZ-CG 3.95Å; F134-Y154 HydrophobicContact CZ-CG 3.95Å
135T78.3Confident86.8Confident101 Ų10165.8 Ų65.862%0.6235%0.353SS*.SBendtrans-87.1-17.9-173.8590000113D155T135-D155 PolarHBondContact N-OD1 2.83Å; T135-D155 PolarHBondContact OG1-OD1 3.18Å; T135-D155 VanDerWaalsContact OG1-OD1 3.12Å
136K82Confident87.1Confident47 Ų4761.2 Ų61.220%0.20433%0.332CS..SBendtrans-128144.7174.8-62.9-69.8178.8155.30111.5I139 L152 D155 V214 L215K136-I139 HydrophobicContact CD-CD1 4.49Å; K136-L152 HydrophobicContact CB-CD2 4.35Å; K136-D155 PolarHBondContact N-OD1 2.69Å; K136-V214 WeakPolarHBondContact CE-O 3.37Å; K136-V214 WeakPolarHBondContact CG-O 3.41Å; K136-L215 WeakPolarHBondContact CE-O 3.22Å; K136-L215 PolarHBondContact NZ-O 3.27Å
137L87Confident87.3Confident107 Ų10756.6 Ų56.656%0.5631%0.305SS*.  trans-67.7160.4157.9-66.1176.2000109.7A78 P98 I139A78-L137 HydrophobicContact CB-CB 4.33Å; P98-L137 HydrophobicContact CB-CD2 3.9Å; P98-L137 HydrophobicContact CG-CD2 4.27Å; L137-I139 PolarHBondContact O-N 2.94Å
138P92.4Very high87.6Confident7 Ų756 Ų565%0.04530%0.302CS..  trans-64102.7179.1-24.737.4000113S96 A100 M151 L152S96-P138 PolarHBondContact OG-O 3.08Å; S96-P138 VanDerWaalsContact OG-O 3.09Å; A100-P138 HydrophobicContact CB-CG 4.1Å; P138-M151 HydrophobicContact CB-CE 4.31Å; P138-M151 HydrophobicContact CB-CG 3.83Å; P138-M151 HydrophobicContact CB-SD 3.56Å; P138-M151 VanDerWaalsContact CB-SD 3.56Å; P138-L152 VanDerWaalsContact CA-O 3.3Å; P138-L152 WeakPolarHBondContact CA-O 3.23Å; P138-L152 WeakPolarHBondContact CB-O 3.43Å
139I93.3Very high88Confident19 Ų1953.2 Ų53.210%0.09729%0.29CS..  trans-72.5131.1175.9-55179.4000108.7K136 L137 R141 M151 L152 M217K136-I139 HydrophobicContact CD-CD1 4.49Å; L137-I139 PolarHBondContact O-N 2.94Å; I139-R141 HydrophobicContact CG2-CG 4.39Å; I139-R141 VanDerWaalsContact CG2-NH2 3.32Å; I139-M151 CarbonylContact O-C 3.57Å; I139-M151 VanDerWaalsContact O-CA 3.28Å; I139-M151 WeakPolarHBondContact O-CA 3.37Å; I139-L152 HydrophobicContact CB-CB 4.13Å; I139-L152 HydrophobicContact CD1-CD2 3.95Å; I139-L152 HydrophobicContact CG1-CD2 4.2Å; I139-L152 PolarHBondContact O-N 3.01Å; I139-M217 HydrophobicContact CB-CE 4.25Å; I139-M217 HydrophobicContact CG2-CE 4.17Å; I139-M217 HydrophobicContact CG2-CG 4.28Å; I139-M217 VanDerWaalsContact O-CE 3.27Å; I139-M217 WeakPolarHBondContact O-CE 3.5Å
140L94.9Very high88.5Confident0 Ų050 Ų500%027%0.268CS..EExtended strand (participates in β ladder)trans-117.2130.6-177.8-17863000110.7D79 V81 L94 A149 M151D79-L140 HydrophobicContact CB-CB 3.94Å; D79-L140 PolarHBondContact OD2-N 2.65Å; V81-L140 HydrophobicContact CG1-CD2 4.4Å; V81-L140 HydrophobicContact CG1-CG 4.19Å; V81-L140 HydrophobicContact CG2-CD2 3.83Å; V81-L140 HydrophobicContact CG2-CG 3.96Å; L94-L140 HydrophobicContact CB-CD2 3.9Å; L140-A149 HydrophobicContact CD1-CB 4.48Å; L140-M151 HydrophobicContact CD1-CB 4Å; L140-M151 HydrophobicContact CD1-CG 4.48Å
141R95.3Very high89.2Confident48 Ų4846.4 Ų46.418%0.18123%0.23CC..EExtended strand (participates in β ladder)trans-135142.4-179.8-61.9-64178.8-106.11.9112.1D79 I139 A149 V150 D216 M217 Q218 F219D79-R141 IonicContact OD1-NH1 3.56Å; D79-R141 IonicContact OD2-CZ 2.62Å; D79-R141 IonicContact OD2-NH1 3.5Å; D79-R141 PolarHBondContact OD2-NH1 2.95Å; I139-R141 HydrophobicContact CG2-CG 4.39Å; I139-R141 VanDerWaalsContact CG2-NH2 3.32Å; R141-A149 CarbonylContact O-C 3.48Å; R141-A149 VanDerWaalsContact O-CA 3.27Å; R141-A149 WeakPolarHBondContact O-CA 3.2Å; R141-V150 PolarHBondContact N-O 2.91Å; R141-V150 PolarHBondContact O-N 3.36Å; R141-D216 IonicContact CZ-OD1 3.01Å; R141-D216 IonicContact NH2-OD1 3.42Å; R141-D216 PolarHBondContact NH2-OD1 2.86Å; R141-M217 HydrophobicContact CB-CE 4.39Å; R141-M217 WeakPolarHBondContact CD-O 3.28Å; R141-M217 HydrophobicContact CG-CE 3.97Å; R141-M217 HydrophobicContact CG-CG 4.05Å; R141-M217 WeakPolarHBondContact CG-O 3.41Å; R141-M217 PolarHBondContact NE-O 3.34Å; R141-Q218 VanDerWaalsContact CD-OE1 3.32Å; R141-F219 HydrophobicContact CB-CD2 3.91Å; R141-F219 HydrophobicContact CB-CE2 4.05Å
142L94.9Very high89.8Confident32 Ų3243.2 Ų43.217%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-104.4140.2174.3-160.292.1000109.8V81 T82 V83 Q146 A149 F163 F219V81-L142 HydrophobicContact CG2-CB 4.41Å; V81-L142 HydrophobicContact CG2-CD1 4.25Å; T82-L142 VanDerWaalsContact O-CD2 3.31Å; T82-L142 WeakPolarHBondContact O-CD2 3.35Å; V83-L142 HydrophobicContact CB-CD1 3.91Å; V83-L142 HydrophobicContact CG2-CD1 3.94Å; L142-Q146 HydrophobicContact CD2-CB 4.5Å; L142-Q146 HydrophobicContact CD2-CG 3.89Å; L142-A149 HydrophobicContact CD1-CB 4.31Å; L142-F163 HydrophobicContact CD1-CE2 3.74Å; L142-F163 HydrophobicContact CD1-CZ 3.96Å; L142-F219 WeakPolarHBondContact O-CD2 3.47Å
143D94.6Very high90.6Very high0 Ų037.4 Ų37.40%019%0.19CC..  trans-67133.9164.8166.169.3000110.6H145 Q146 R147 C148 F219 P226D143-H145 VanDerWaalsContact C-N 3.26Å; D143-H145 PolarHBondContact O-N 3.23Å; D143-H145 PolarHBondContact OD2-N 2.95Å; D143-Q146 WeakPolarHBondContact O-CA 3.27Å; D143-Q146 PolarHBondContact O-N 2.69Å; D143-Q146 PolarHBondContact OD2-N 3.39Å; D143-R147 IonicContact OD1-CZ 2.7Å; D143-R147 IonicContact OD1-NE 3.58Å; D143-R147 PolarHBondContact OD1-NE 2.62Å; D143-R147 IonicContact OD1-NH2 3.34Å; D143-R147 PolarHBondContact OD1-NH2 2.82Å; D143-R147 WeakPolarHBondContact OD2-CB 3.42Å; D143-R147 VanDerWaalsContact OD2-CG 3.26Å; D143-R147 WeakPolarHBondContact OD2-CG 3.5Å; D143-R147 IonicContact OD2-CZ 3.61Å; D143-R147 PolarHBondContact OD2-N 3.5Å; D143-R147 IonicContact OD2-NE 3.46Å; D143-R147 PolarHBondContact OD2-NE 2.75Å; D143-R147 IonicContact OD2-NH2 2.76Å; D143-C148 WeakPolarHBondContact CB-O 3.15Å; D143-C148 PolarHBondContact N-O 2.63Å; D143-F219 HydrophobicContact CB-CD1 4.11Å; D143-F219 HydrophobicContact CB-CD2 4.44Å; D143-F219 HydrophobicContact CB-CE1 4.18Å; D143-F219 HydrophobicContact CB-CE2 4.48Å; D143-F219 HydrophobicContact CB-CG 4.26Å; D143-F219 HydrophobicContact CB-CZ 4.35Å; D143-P226 HydrophobicContact CB-CB 4.08Å
144P91.3Very high91.2Very high41 Ų4131.7 Ų31.727%0.26616%0.159SC..THydrogen-bonded Turntrans-57.8-31.7-177.9-29.935.4000115.3Q146 F219 Y221P144-Q146 PolarHBondContact O-N 2.95Å; P144-F219 HydrophobicContact CG-CB 4.4Å; P144-Y221 HydrophobicContact CB-CD1 3.74Å; P144-Y221 HydrophobicContact CB-CE1 3.58Å; P144-Y221 HydrophobicContact CG-CD1 3.84Å; P144-Y221 HydrophobicContact CG-CE1 3.71Å; P144-Y221 HydrophobicContact CG-CG 4.31Å
145H89.8Confident91.3Very high98 Ų9829.1 Ų29.145%0.45415%0.148SC..THydrogen-bonded Turntrans-85.49.5174.8-58.4102.9000112.8D143 R147D143-H145 VanDerWaalsContact C-N 3.26Å; D143-H145 PolarHBondContact O-N 3.23Å; D143-H145 PolarHBondContact OD2-N 2.95Å; H145-R147 VanDerWaalsContact C-N 3.3Å; H145-R147 HydrophobicContact CB-CG 3.98Å; H145-R147 PolarHBondContact ND1-NH2 2.77Å; H145-R147 VanDerWaalsContact ND1-NH2 3.15Å; H145-R147 PolarHBondContact O-N 2.82Å
146Q90.5Very high91.6Very high72 Ų7227.3 Ų27.334%0.33613%0.129SC..SBendtrans53.842.5177.3-44-162.11900112.9L142 D143 P144 F163L142-Q146 HydrophobicContact CD2-CB 4.5Å; L142-Q146 HydrophobicContact CD2-CG 3.89Å; D143-Q146 WeakPolarHBondContact O-CA 3.27Å; D143-Q146 PolarHBondContact O-N 2.69Å; D143-Q146 PolarHBondContact OD2-N 3.39Å; P144-Q146 PolarHBondContact O-N 2.95Å; Q146-F163 WeakPolarHBondContact O-CD2 3.34Å
147R91.1Very high92.1Very high20 Ų2025.9 Ų25.98%0.07512%0.123CC..SBendtrans-88.1-28.4179.4-59.4170.1-68.9-162.5-6.5112.7D143 H145 F163 F223 Y224 E225 P226 L258D143-R147 IonicContact OD1-CZ 2.7Å; D143-R147 IonicContact OD1-NE 3.58Å; D143-R147 PolarHBondContact OD1-NE 2.62Å; D143-R147 IonicContact OD1-NH2 3.34Å; D143-R147 PolarHBondContact OD1-NH2 2.82Å; D143-R147 WeakPolarHBondContact OD2-CB 3.42Å; D143-R147 VanDerWaalsContact OD2-CG 3.26Å; D143-R147 WeakPolarHBondContact OD2-CG 3.5Å; D143-R147 IonicContact OD2-CZ 3.61Å; D143-R147 PolarHBondContact OD2-N 3.5Å; D143-R147 IonicContact OD2-NE 3.46Å; D143-R147 PolarHBondContact OD2-NE 2.75Å; D143-R147 IonicContact OD2-NH2 2.76Å; H145-R147 VanDerWaalsContact C-N 3.3Å; H145-R147 HydrophobicContact CB-CG 3.98Å; H145-R147 PolarHBondContact ND1-NH2 2.77Å; H145-R147 VanDerWaalsContact ND1-NH2 3.15Å; H145-R147 PolarHBondContact O-N 2.82Å; R147-F163 PolarHBondContact O-N 3.22Å; R147-F223 PolarHBondContact NH1-O 2.77Å; R147-F223 PolarHBondContact NH2-O 2.85Å; R147-F223 VanDerWaalsContact NH2-O 3.08Å; R147-Y224 PolarHBondContact NH1-O 2.68Å; R147-E225 PolarHBondContact NH2-O 3.29Å; R147-P226 HydrophobicContact CB-CG 4.44Å; R147-L258 HydrophobicContact CB-CD1 4.45Å; R147-L258 WeakPolarHBondContact O-CD1 3.4Å
148C94Very high92.4Very high0 Ų020.9 Ų20.90%010%0.097CC..EExtended strand (participates in β ladder)trans-163.5165175.757.70000111.6D143 L161 L258D143-C148 WeakPolarHBondContact CB-O 3.15Å; D143-C148 PolarHBondContact N-O 2.63Å; C148-L161 VanDerWaalsContact CA-O 3.28Å; C148-L161 WeakPolarHBondContact CA-O 3.5Å; C148-L161 WeakPolarHBondContact CB-O 3.29Å; C148-L258 HydrophobicContact CB-CD1 4.13Å; C148-L258 HydrophobicContact CB-CD2 4.06Å
149A95.3Very high92.5Very high0 Ų020.5 Ų20.50%010%0.095CC..EExtended strand (participates in β ladder)trans-109157.2157.500000110.8L94 L140 R141 L142 L161 F163L94-A149 HydrophobicContact CD2-CB 3.66Å; L140-A149 HydrophobicContact CD1-CB 4.48Å; R141-A149 CarbonylContact O-C 3.48Å; R141-A149 VanDerWaalsContact O-CA 3.27Å; R141-A149 WeakPolarHBondContact O-CA 3.2Å; L142-A149 HydrophobicContact CD1-CB 4.31Å; A149-L161 HydrophobicContact CB-CB 4.31Å; A149-L161 PolarHBondContact N-O 2.85Å; A149-L161 PolarHBondContact O-N 2.84Å; A149-F163 HydrophobicContact CB-CE1 4.4Å; A149-F163 HydrophobicContact CB-CE2 4.38Å; A149-F163 HydrophobicContact CB-CZ 3.66Å
150V95.7Very high92.6Very high0 Ų019.6 Ų19.60%09%0.09CC..EExtended strand (participates in β ladder)trans-133.5133.7172.2172.90000109.7R141 L158 A159 V160 M217 F219 L228 F256R141-V150 PolarHBondContact N-O 2.91Å; R141-V150 PolarHBondContact O-N 3.36Å; V150-L158 HydrophobicContact CG1-CB 3.94Å; V150-L158 HydrophobicContact CG1-CD1 4.1Å; V150-L158 HydrophobicContact CG1-CD2 3.94Å; V150-L158 HydrophobicContact CG1-CG 4.21Å; V150-A159 CarbonylContact C-O 3.56Å; V150-A159 WeakPolarHBondContact CA-O 3.5Å; V150-V160 HydrophobicContact CG2-CB 4.45Å; V150-V160 HydrophobicContact CG2-CG1 4.15Å; V150-V160 HydrophobicContact CG2-CG2 4.2Å; V150-M217 HydrophobicContact CG1-CE 4.23Å; V150-F219 HydrophobicContact CB-CE2 4.18Å; V150-F219 HydrophobicContact CB-CZ 4.15Å; V150-F219 HydrophobicContact CG2-CE2 4.25Å; V150-F219 HydrophobicContact CG2-CZ 3.72Å; V150-L228 HydrophobicContact CG1-CD2 4.03Å; V150-F256 HydrophobicContact CG2-CE2 4.23Å; V150-F256 HydrophobicContact CG2-CZ 4.34Å
151M95.6Very high92.6Very high0 Ų019.6 Ų19.60%09%0.09CC..EExtended strand (participates in β ladder)trans-115.2135.5172.8-171.9177.769.900111.2A100 V102 Y122 P138 I139 L140 V153 L158 A159A100-M151 HydrophobicContact CB-CE 4.14Å; V102-M151 HydrophobicContact CG2-CB 4.4Å; V102-M151 HydrophobicContact CG2-CE 3.56Å; V102-M151 HydrophobicContact CG2-CG 4.47Å; V102-M151 HydrophobicContact CG2-SD 3.28Å; V102-M151 WeakPolarHBondContact CG2-SD 3.45Å; Y122-M151 HydrophobicContact CD2-CE 3.69Å; Y122-M151 HydrophobicContact CE2-CE 4.18Å; P138-M151 HydrophobicContact CB-CE 4.31Å; P138-M151 HydrophobicContact CB-CG 3.83Å; P138-M151 HydrophobicContact CB-SD 3.56Å; P138-M151 VanDerWaalsContact CB-SD 3.56Å; I139-M151 CarbonylContact O-C 3.57Å; I139-M151 VanDerWaalsContact O-CA 3.28Å; I139-M151 WeakPolarHBondContact O-CA 3.37Å; L140-M151 HydrophobicContact CD1-CB 4Å; L140-M151 HydrophobicContact CD1-CG 4.48Å; M151-V153 HydrophobicContact CE-CG2 3.76Å; M151-L158 WeakPolarHBondContact O-CA 3.48Å; M151-A159 HydrophobicContact CB-CB 4.48Å; M151-A159 PolarHBondContact N-O 3.11Å; M151-A159 PolarHBondContact O-N 3.45Å
152L94.6Very high92.5Very high2 Ų217.6 Ų17.61%0.018%0.083CC..EExtended strand (participates in β ladder)trans-75.3122.8170.5-17965.8000109.8K136 P138 I139 L158 V214 M217K136-L152 HydrophobicContact CB-CD2 4.35Å; P138-L152 VanDerWaalsContact CA-O 3.3Å; P138-L152 WeakPolarHBondContact CA-O 3.23Å; P138-L152 WeakPolarHBondContact CB-O 3.43Å; I139-L152 HydrophobicContact CB-CB 4.13Å; I139-L152 HydrophobicContact CD1-CD2 3.95Å; I139-L152 HydrophobicContact CG1-CD2 4.2Å; I139-L152 PolarHBondContact O-N 3.01Å; L152-L158 HydrophobicContact CB-CD2 4.4Å; L152-L158 HydrophobicContact CD1-CD2 3.88Å; L152-V214 HydrophobicContact CD1-CB 4.19Å; L152-V214 HydrophobicContact CD1-CG1 4.34Å; L152-V214 HydrophobicContact CD1-CG2 4.14Å; L152-V214 HydrophobicContact CD2-CB 3.94Å; L152-V214 HydrophobicContact CD2-CG1 3.84Å; L152-M217 HydrophobicContact CB-CE 3.97Å; L152-M217 HydrophobicContact CB-SD 4.17Å
153V92.2Very high92.3Very high0 Ų016.5 Ų16.50%08%0.077CC..EExtended strand (participates in β ladder)trans-113.6116.7179.2175.90000109.1A100 Y122 L127 M151 D155 R156 H157 A159A100-V153 HydrophobicContact CB-CG1 4.21Å; A100-V153 HydrophobicContact CB-CG2 4.39Å; Y122-V153 HydrophobicContact CG-CG2 4.42Å; L127-V153 HydrophobicContact CB-CG1 4.37Å; L127-V153 HydrophobicContact CD1-CG1 4.18Å; M151-V153 HydrophobicContact CE-CG2 3.76Å; V153-D155 VanDerWaalsContact C-N 3.34Å; V153-D155 PolarHBondContact O-N 2.79Å; V153-R156 PolarHBondContact O-N 3.15Å; V153-H157 HydrophobicContact CB-CB 4.11Å; V153-H157 HydrophobicContact CG1-CB 4.48Å; V153-H157 PolarHBondContact N-O 3.34Å; V153-H157 PolarHBondContact O-N 3.29Å; V153-A159 HydrophobicContact CG2-CB 3.87Å
154Y88.6Confident91.8Very high11 Ų1120.6 Ų20.64%0.0439%0.093CC..THydrogen-bonded Turntrans48.550.9173.7-50.4-43.7000113.4E99 A100 E123 L127 K128 R131 F134 R156E99-Y154 PolarHBondContact O-OH 2.95Å; A100-Y154 HydrophobicContact CB-CE1 3.96Å; A100-Y154 HydrophobicContact CB-CE2 4.49Å; E123-Y154 WeakPolarHBondContact CA-OH 3.49Å; L127-Y154 HydrophobicContact CB-CD2 3.88Å; L127-Y154 HydrophobicContact CB-CE2 4.17Å; K128-Y154 HydrophobicContact CB-CD2 4.45Å; K128-Y154 HydrophobicContact CB-CE2 4.49Å; K128-Y154 HydrophobicContact CD-CE2 4.29Å; K128-Y154 VanDerWaalsContact CE-CZ 3.46Å; K128-Y154 WeakPolarHBondContact CE-OH 3.32Å; K128-Y154 HydrophobicContact CG-CD2 3.73Å; K128-Y154 HydrophobicContact CG-CE1 4.43Å; K128-Y154 HydrophobicContact CG-CE2 3.37Å; K128-Y154 HydrophobicContact CG-CG 4.39Å; R131-Y154 PolarHBondContact NH1-O 2.82Å; R131-Y154 PolarHBondContact NH2-O 2.92Å; F134-Y154 AromaticContact CD1-CD1 3.8Å; F134-Y154 HydrophobicContact CD1-CD1 3.8Å; F134-Y154 HydrophobicContact CD1-CG 4Å; F134-Y154 AromaticContact CD2-CD1 3.77Å; F134-Y154 HydrophobicContact CD2-CD1 3.77Å; F134-Y154 HydrophobicContact CD2-CE1 4.21Å; F134-Y154 AromaticContact CE1-CD1 3.71Å; F134-Y154 HydrophobicContact CE1-CD1 3.71Å; F134-Y154 AromaticContact CE1-CG 3.7Å; F134-Y154 HydrophobicContact CE1-CG 3.7Å; F134-Y154 AromaticContact CE2-CD1 3.68Å; F134-Y154 HydrophobicContact CE2-CD1 3.68Å; F134-Y154 AromaticContact CE2-CE1 3.89Å; F134-Y154 HydrophobicContact CE2-CE1 3.89Å; F134-Y154 HydrophobicContact CE2-CG 4.43Å; F134-Y154 AromaticContact CG-CD1 3.84Å; F134-Y154 HydrophobicContact CG-CD1 3.84Å; F134-Y154 HydrophobicContact CG-CG 4.49Å; F134-Y154 AromaticContact CZ-CD1 3.65Å; F134-Y154 HydrophobicContact CZ-CD1 3.65Å; F134-Y154 HydrophobicContact CZ-CE1 4.11Å; F134-Y154 AromaticContact CZ-CG 3.95Å; F134-Y154 HydrophobicContact CZ-CG 3.95Å; Y154-R156 PolarHBondContact O-N 3.09Å
155D84.8Confident90.8Very high7 Ų722.8 Ų22.84%0.03710%0.096CC..THydrogen-bonded Turntrans60.1-2.8173.9-24.2-74.6000117.6R131 T135 K136 V153R131-D155 IonicContact CZ-OD2 3.98Å; R131-D155 IonicContact NH1-OD2 3.8Å; R131-D155 PolarHBondContact NH1-OD2 2.9Å; T135-D155 PolarHBondContact N-OD1 2.83Å; T135-D155 PolarHBondContact OG1-OD1 3.18Å; T135-D155 VanDerWaalsContact OG1-OD1 3.12Å; K136-D155 PolarHBondContact N-OD1 2.69Å; V153-D155 VanDerWaalsContact C-N 3.34Å; V153-D155 PolarHBondContact O-N 2.79Å
156R86.1Confident89.3Confident62 Ų6222.3 Ų22.323%0.23410%0.1CC..THydrogen-bonded Turntrans-142.6-18.7-169.9-58.9179.5-54.3161.715.9115.7L127 S129 V153 Y154 L203L127-R156 PolarHBondContact O-NH2 3.17Å; S129-R156 PolarHBondContact OG-NH2 2.89Å; V153-R156 PolarHBondContact O-N 3.15Å; Y154-R156 PolarHBondContact O-N 3.09Å; R156-L203 WeakPolarHBondContact O-CB 3.41Å; R156-L203 PolarHBondContact O-N 3.42Å
157H91.6Very high87.5Confident18 Ų1825 Ų258%0.08311%0.112CC..EExtended strand (participates in β ladder)trans-111.6146.3-178.9-56.7-72.3000109.7L127 V153 T201 C202L127-H157 HydrophobicContact CD2-CB 4.28Å; L127-H157 PolarHBondContact O-CD2 3.38Å; L127-H157 PolarHBondContact O-NE2 3.2Å; V153-H157 HydrophobicContact CB-CB 4.11Å; V153-H157 HydrophobicContact CG1-CB 4.48Å; V153-H157 PolarHBondContact N-O 3.34Å; V153-H157 PolarHBondContact O-N 3.29Å; H157-T201 CarbonylContact C-O 3.54Å; H157-T201 VanDerWaalsContact CA-O 3.3Å; H157-T201 WeakPolarHBondContact CA-O 3.3Å; H157-C202 VanDerWaalsContact CE1-SG 3.59Å
158L93.8Very high85.4Confident1 Ų129.1 Ų29.11%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-113.5122171.5-65-175.8000109.1V150 M151 L152 T200 T201 L203 M217 L228 L254 F256V150-L158 HydrophobicContact CG1-CB 3.94Å; V150-L158 HydrophobicContact CG1-CD1 4.1Å; V150-L158 HydrophobicContact CG1-CD2 3.94Å; V150-L158 HydrophobicContact CG1-CG 4.21Å; M151-L158 WeakPolarHBondContact O-CA 3.48Å; L152-L158 HydrophobicContact CB-CD2 4.4Å; L152-L158 HydrophobicContact CD1-CD2 3.88Å; L158-T200 CarbonylContact O-C 3.56Å; L158-T200 VanDerWaalsContact O-CA 3.32Å; L158-T200 WeakPolarHBondContact O-CA 3.29Å; L158-T201 HydrophobicContact CB-CG2 3.91Å; L158-T201 PolarHBondContact N-O 3.43Å; L158-T201 PolarHBondContact O-N 2.94Å; L158-L203 HydrophobicContact CD1-CD2 3.73Å; L158-L203 HydrophobicContact CD1-CG 4.31Å; L158-L203 HydrophobicContact CD2-CD1 4.38Å; L158-L203 HydrophobicContact CG-CD1 4.2Å; L158-L203 HydrophobicContact CG-CD2 4.04Å; L158-L203 HydrophobicContact CG-CG 4.05Å; L158-M217 HydrophobicContact CD2-SD 3.83Å; L158-L228 HydrophobicContact CD1-CD2 3.73Å; L158-L254 HydrophobicContact CD1-CD1 4.34Å; L158-F256 HydrophobicContact CD1-CZ 3.84Å
159A94.9Very high83.1Confident0 Ų034.8 Ų34.80%017%0.169CC..EExtended strand (participates in β ladder)trans-8811816800000108.8Y122 V150 M151 V153 T200Y122-A159 HydrophobicContact CD1-CB 3.96Å; Y122-A159 HydrophobicContact CD2-CB 4.12Å; Y122-A159 HydrophobicContact CE1-CB 3.71Å; Y122-A159 HydrophobicContact CE2-CB 3.88Å; Y122-A159 HydrophobicContact CG-CB 4.16Å; V150-A159 CarbonylContact C-O 3.56Å; V150-A159 WeakPolarHBondContact CA-O 3.5Å; M151-A159 HydrophobicContact CB-CB 4.48Å; M151-A159 PolarHBondContact N-O 3.11Å; M151-A159 PolarHBondContact O-N 3.45Å; V153-A159 HydrophobicContact CG2-CB 3.87Å; A159-T200 HydrophobicContact CB-CG2 4.27Å
160V95.3Very high80.7Confident0 Ų040.5 Ų40.50%020%0.204CC..EExtended strand (participates in β ladder)trans-101.2125.7-179.1-170.30000109.3V150 P162 T198 F199 F256 L258V150-V160 HydrophobicContact CG2-CB 4.45Å; V150-V160 HydrophobicContact CG2-CG1 4.15Å; V150-V160 HydrophobicContact CG2-CG2 4.2Å; V160-P162 WeakPolarHBondContact O-CD 3.42Å; V160-T198 WeakPolarHBondContact O-CA 3.22Å; V160-T198 WeakPolarHBondContact O-CB 3.39Å; V160-F199 HydrophobicContact CB-CD1 4.16Å; V160-F199 HydrophobicContact CB-CD2 4.33Å; V160-F199 HydrophobicContact CB-CE1 3.76Å; V160-F199 HydrophobicContact CB-CE2 3.95Å; V160-F199 HydrophobicContact CB-CG 4.43Å; V160-F199 HydrophobicContact CB-CZ 3.65Å; V160-F199 HydrophobicContact CG1-CE1 3.79Å; V160-F199 HydrophobicContact CG1-CE2 4.48Å; V160-F199 HydrophobicContact CG1-CZ 3.73Å; V160-F199 HydrophobicContact CG2-CD2 4.29Å; V160-F199 HydrophobicContact CG2-CE1 4.44Å; V160-F199 HydrophobicContact CG2-CE2 3.74Å; V160-F199 HydrophobicContact CG2-CZ 3.83Å; V160-F199 PolarHBondContact N-O 2.82Å; V160-F199 PolarHBondContact O-N 3.11Å; V160-F199 VanDerWaalsContact O-N 3.13Å; V160-F256 HydrophobicContact CG2-CD1 4.17Å; V160-F256 HydrophobicContact CG2-CE1 3.66Å; V160-F256 HydrophobicContact CG2-CZ 4.28Å; V160-L258 HydrophobicContact CG1-CD2 4.11Å
161L94.5Very high78Confident0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-110.586.1176.8-62.392.3000109.1V102 C148 A149 F163 L195 T198V102-L161 HydrophobicContact CG1-CD2 4.16Å; C148-L161 VanDerWaalsContact CA-O 3.28Å; C148-L161 WeakPolarHBondContact CA-O 3.5Å; C148-L161 WeakPolarHBondContact CB-O 3.29Å; A149-L161 HydrophobicContact CB-CB 4.31Å; A149-L161 PolarHBondContact N-O 2.85Å; A149-L161 PolarHBondContact O-N 2.84Å; L161-F163 HydrophobicContact CB-CE1 4.47Å; L161-L195 HydrophobicContact CB-CD2 4.16Å; L161-L195 HydrophobicContact CD2-CD2 4.18Å; L161-T198 HydrophobicContact CB-CG2 4.23Å; L161-T198 HydrophobicContact CD2-CG2 4.24Å; L161-T198 HydrophobicContact CG-CG2 3.88Å
162P93.4Very high75.2Confident6 Ų649 Ų494%0.03927%0.268CS..EExtended strand (participates in β ladder)trans-69.2133.3176.525.5-30.1000111.4V160 L196 F199 L258V160-P162 WeakPolarHBondContact O-CD 3.42Å; P162-L196 HydrophobicContact CB-CB 4.14Å; P162-L196 HydrophobicContact CB-CD1 4.48Å; P162-L196 HydrophobicContact CG-CB 3.87Å; P162-L196 PolarHBondContact O-N 3.29Å; P162-F199 HydrophobicContact CG-CE1 4.37Å; P162-L258 HydrophobicContact CB-CD1 4.35Å; P162-L258 HydrophobicContact CB-CD2 4.42Å
163F91.3Very high72.5Confident9 Ų957.7 Ų57.74%0.03931%0.309CS..BIsolated β-bridgetrans-94159.6175.2-52-41.3000110.9V83 F85 L94 L142 Q146 R147 A149 L161 L195V83-F163 HydrophobicContact CG2-CD2 4.07Å; V83-F163 HydrophobicContact CG2-CE2 3.59Å; V83-F163 HydrophobicContact CG2-CZ 3.88Å; F85-F163 HydrophobicContact CD1-CD1 4.43Å; F85-F163 AromaticContact CE1-CD1 3.8Å; F85-F163 HydrophobicContact CE1-CD1 3.8Å; F85-F163 AromaticContact CE1-CE1 3.95Å; F85-F163 HydrophobicContact CE1-CE1 3.95Å; F85-F163 HydrophobicContact CE1-CG 4.36Å; L94-F163 HydrophobicContact CD2-CE1 4.45Å; L94-F163 HydrophobicContact CD2-CZ 4.14Å; L142-F163 HydrophobicContact CD1-CE2 3.74Å; L142-F163 HydrophobicContact CD1-CZ 3.96Å; Q146-F163 WeakPolarHBondContact O-CD2 3.34Å; R147-F163 PolarHBondContact O-N 3.22Å; A149-F163 HydrophobicContact CB-CE1 4.4Å; A149-F163 HydrophobicContact CB-CE2 4.38Å; A149-F163 HydrophobicContact CB-CZ 3.66Å; L161-F163 HydrophobicContact CB-CE1 4.47Å; F163-L195 HydrophobicContact CD1-CD2 3.92Å; F163-L195 HydrophobicContact CD1-CG 4.43Å; F163-L195 HydrophobicContact CE1-CD2 3.84Å
164R83.1Confident69.7Low86 Ų8663.8 Ų63.833%0.32535%0.346SS..PPolyproline II helixtrans-74.6156.6172.9-69.8175.1171.1-154.1-0.8111.2T86 T192 A193 P194 L196T86-R164 WeakPolarHBondContact CG2-O 3.43Å; R164-T192 PolarHBondContact NH1-O 2.78Å; R164-T192 PolarHBondContact NH1-OG1 2.83Å; R164-A193 WeakPolarHBondContact CD-O 3.14Å; R164-A193 PolarHBondContact NE-O 2.86Å; R164-A193 PolarHBondContact NH2-O 2.99Å; R164-P194 WeakPolarHBondContact CG-O 3.39Å; R164-P194 PolarHBondContact N-O 3.21Å; R164-L196 HydrophobicContact CG-CD2 3.83Å; R164-L196 HydrophobicContact CG-CG 3.82Å
165R70.9Confident67.2Low87 Ų8770.2 Ų70.233%0.32838%0.381SS..  trans-129.6144.4173.3-60.3-169.3-162.1168.45.2110.9E167 V168R165-E167 WeakPolarHBondContact CD-OE2 3.41Å; R165-E167 IonicContact NH1-OE2 3.43Å; R165-E167 PolarHBondContact NH1-OE2 3.36Å; R165-E167 PolarHBondContact O-N 3.33Å; R165-V168 PolarHBondContact O-N 3.47Å
166T59Low64.9Low88 Ų8876.5 Ų76.554%0.5442%0.422SS..THydrogen-bonded Turntrans-57.8-30.7-179.4-39.80000113.3V168 L169T166-V168 PolarHBondContact O-N 2.94Å; T166-V168 VanDerWaalsContact O-N 3.11Å; T166-L169 PolarHBondContact O-N 2.94Å
167E52.1Low62.3Low128 Ų12882.4 Ų82.460%0.59845%0.45SS*.Hα-helixtrans-52.5-32.7180-58.2170.2136.700113.4R165 L169 V170 S171R165-E167 WeakPolarHBondContact CD-OE2 3.41Å; R165-E167 IonicContact NH1-OE2 3.43Å; R165-E167 PolarHBondContact NH1-OE2 3.36Å; R165-E167 PolarHBondContact O-N 3.33Å; E167-L169 VanDerWaalsContact C-N 3.34Å; E167-V170 PolarHBondContact O-N 3.08Å; E167-S171 PolarHBondContact O-OG 3.33Å
168V47.3Very low59.4Low107 Ų10790.5 Ų90.565%0.64849%0.487SS*.Hα-helixtrans-76.6-20.3-177.3-173.60000112.4R165 T166 S171R165-V168 PolarHBondContact O-N 3.47Å; T166-V168 PolarHBondContact O-N 2.94Å; T166-V168 VanDerWaalsContact O-N 3.11Å; V168-S171 PolarHBondContact O-OG 3.16Å
169L45.2Very low56.6Low118 Ų11897.7 Ų97.762%0.61852%0.524SS*.Hα-helixtrans-82.8-16.2177.1-69.7169.8000113.2T166 E167T166-L169 PolarHBondContact O-N 2.94Å; E167-L169 VanDerWaalsContact C-N 3.34Å
170V44.3Very low53.5Low121 Ų121103.6 Ų103.673%0.73357%0.566SS**Hα-helixtrans-94.4-19.6-179.3-174.10000111.9E167 A172E167-V170 PolarHBondContact O-N 3.08Å; V170-A172 PolarHBondContact O-N 3.31Å
171S39.3Very low50.6Low98 Ų98107.9 Ų107.969%0.68559%0.591SS**THydrogen-bonded Turntrans-86.720.1-174.128.10000114.2E167 V168E167-S171 PolarHBondContact O-OG 3.33Å; V168-S171 PolarHBondContact O-OG 3.16Å
172A38Very low47.6Very low81 Ų81118.8 Ų118.867%0.66963%0.632SS**THydrogen-bonded Turntrans-124.525.5-170.700000115.1V170V170-A172 PolarHBondContact O-N 3.31Å
173E37.3Very low44.8Very low184 Ų184125 Ų12586%0.8667%0.665SS**  trans-149.4136.7166.4-120.7162.8-139.400111.8
174T33.9Very low42Very low127 Ų127127.9 Ų127.978%0.77969%0.687SS**  trans-92.8152174.442.60000111.4
175D35.9Very low39.9Very low146 Ų146128.7 Ų128.778%0.78170%0.697SS**  trans66.492.4175.4-66.2-31.7000117.2K177D175-K177 VanDerWaalsContact C-N 3.3Å; D175-K177 PolarHBondContact O-N 2.83Å
176P34.9Very low38.6Very low139 Ų139128.7 Ų128.790%0.90370%0.703SS**  trans-80.666.7179.534.7-36.8000112.7
177K32Very low37.7Very low187 Ų187133 Ų13381%0.81371%0.709SS**  trans-139.4116.5169.3-71.7-171179.6176.30112D175D175-K177 VanDerWaalsContact C-N 3.3Å; D175-K177 PolarHBondContact O-N 2.83Å
178H30.8Very low36.9Very low188 Ų188131.8 Ų131.887%0.8770%0.704SS**  trans66.5114.2-171.9-58.4-98.5000114.9
179I34.1Very low36.7Very low152 Ų152132 Ų13278%0.77970%0.698SS**  -168137.9122.7-99.3154.8000108.6V181I179-V181 HydrophobicContact CG2-CB 4.02Å; I179-V181 HydrophobicContact CG2-CG2 3.75Å
180S31.7Very low36.7Very low124 Ų124134 Ų13487%0.86770%0.697SS**  trans-109.985.6175.656.80000109.9
181V34.2Very low36.6Very low89 Ų89131.5 Ų131.554%0.53969%0.689SS.*  trans-125113.5176.3169.30000110.5I179 S184I179-V181 HydrophobicContact CG2-CB 4.02Å; I179-V181 HydrophobicContact CG2-CG2 3.75Å; V181-S184 VanDerWaalsContact CG1-OG 3.29Å; V181-S184 WeakPolarHBondContact CG1-OG 3.49Å
182R30.9Very low37.3Very low229 Ų229130 Ų13086%0.86468%0.676SS**  trans-91.8149.7153.2-85.9-179.4166.9170-5.4108.4
183N33.9Very low38.5Very low137 Ų137129.3 Ų129.373%0.73367%0.67SS**SBendtrans80.6-0.6160.8-55.21.3000121.2
184S33.5Very low40.2Very low70 Ų70122.4 Ų122.449%0.4964%0.641SS.*SBendtrans-83.7-26.9178.264.70000115.9V181 L186V181-S184 VanDerWaalsContact CG1-OG 3.29Å; V181-S184 WeakPolarHBondContact CG1-OG 3.49Å; S184-L186 PolarHBondContact O-N 3.29Å
185L38Very low42.5Very low103 Ų103117.2 Ų117.254%0.53961%0.609SS.*THydrogen-bonded Turntrans-79.8-13-167.7-79.7154000115.8W187 Q188 Q189L185-W187 VanDerWaalsContact C-N 3.31Å; L185-W187 PolarHBondContact O-N 2.69Å; L185-Q188 PolarHBondContact O-N 2.76Å; L185-Q189 PolarHBondContact O-N 3.02Å
186L44.7Very low44.9Very low86 Ų86114.3 Ų114.345%0.4559%0.593SS.*Hα-helixtrans-60.8-31.5-168.9-88.9157000114.7S184S184-L186 PolarHBondContact O-N 3.29Å
187W39.3Very low47.3Very low178 Ų178110.9 Ų110.967%0.67458%0.576SS**Hα-helixtrans-80-38.8-176.479.7-89.6000112.8L185 R190 A191L185-W187 VanDerWaalsContact C-N 3.31Å; L185-W187 PolarHBondContact O-N 2.69Å; W187-R190 PolarHBondContact O-N 2.93Å; W187-A191 HydrophobicContact CE3-CB 4.29Å; W187-A191 VanDerWaalsContact O-CB 3.25Å; W187-A191 WeakPolarHBondContact O-CB 3.13Å; W187-A191 PolarHBondContact O-N 2.78Å
188Q36.7Very low50.1Low103 Ų103104 Ų10448%0.48155%0.55SS.*Hα-helixtrans-69.1-35.5180-67.5178.8-32.800112.1L185 R190 A191 T192L185-Q188 PolarHBondContact O-N 2.76Å; Q188-R190 VanDerWaalsContact C-N 3.32Å; Q188-R190 PolarHBondContact O-N 2.88Å; Q188-A191 PolarHBondContact O-N 2.92Å; Q188-T192 PolarHBondContact O-OG1 3.32Å
189Q42.9Very low53Low111 Ų11196.1 Ų96.152%0.51951%0.513SS..Hα-helixtrans-63.9-36.9173.5-70.4-179.9-19.600111.9L185L185-Q189 PolarHBondContact O-N 3.02Å
190R45.5Very low55.8Low161 Ų16192.1 Ų92.161%0.60850%0.496SS*.Hα-helixtrans-81.1-28.9177.1-74.1-176.7166.4-175.9-4.4114.4W187 Q188 T192 L1194 I1195W187-R190 PolarHBondContact O-N 2.93Å; Q188-R190 VanDerWaalsContact C-N 3.32Å; Q188-R190 PolarHBondContact O-N 2.88Å; R190-T192 PolarHBondContact O-N 2.87Å; R190-L1194 PolarHBondContact NH2-O 3.37Å; R190-I1195 VanDerWaalsContact NH1-CG1 3.27Å
191A42.3Very low58.7Low69 Ų6987.1 Ų87.157%0.5746%0.46SS*.SBendtrans-76.80.6-17500000114.9W187 Q188W187-A191 HydrophobicContact CE3-CB 4.29Å; W187-A191 VanDerWaalsContact O-CB 3.25Å; W187-A191 WeakPolarHBondContact O-CB 3.13Å; W187-A191 PolarHBondContact O-N 2.78Å; Q188-A191 PolarHBondContact O-N 2.92Å
192T53.8Low61.3Low67 Ų6784.5 Ų84.541%0.41145%0.446SS..SBendtrans-132.1121.4-17362.20000112R164 Q188 R190R164-T192 PolarHBondContact NH1-O 2.78Å; R164-T192 PolarHBondContact NH1-OG1 2.83Å; Q188-T192 PolarHBondContact O-OG1 3.32Å; R190-T192 PolarHBondContact O-N 2.87Å
193A63.2Low64Low66 Ų6673.6 Ų73.655%0.54540%0.404SS..  trans-53.8143.9-167.200000114.3R164 L195R164-A193 WeakPolarHBondContact CD-O 3.14Å; R164-A193 PolarHBondContact NE-O 2.86Å; R164-A193 PolarHBondContact NH2-O 2.99Å; A193-L195 PolarHBondContact O-N 2.94Å
194P73.2Confident66.5Low39 Ų3968.7 Ų68.725%0.25338%0.381SS..SBendtrans-67.6-21-17226-35000114.4F85 R164F85-P194 HydrophobicContact CB-CB 4Å; F85-P194 HydrophobicContact CD1-CB 3.8Å; F85-P194 HydrophobicContact CD2-CB 3.98Å; F85-P194 HydrophobicContact CD2-CG 4.18Å; F85-P194 HydrophobicContact CE1-CB 4.23Å; F85-P194 HydrophobicContact CE2-CB 4.4Å; F85-P194 HydrophobicContact CE2-CG 4.23Å; F85-P194 HydrophobicContact CG-CB 3.66Å; F85-P194 HydrophobicContact CG-CG 4.34Å; F85-P194 HydrophobicContact CZ-CG 4.42Å; R164-P194 WeakPolarHBondContact CG-O 3.39Å; R164-P194 PolarHBondContact N-O 3.21Å
195L82Confident68.9Low17 Ų1771 Ų719%0.08939%0.392CS..BIsolated β-bridgetrans-91.2151.3178.2-63.3116.8000112.2F85 V104 L161 F163 A193F85-L195 HydrophobicContact CE1-CG 4.47Å; V104-L195 HydrophobicContact CG2-CD1 4.14Å; L161-L195 HydrophobicContact CB-CD2 4.16Å; L161-L195 HydrophobicContact CD2-CD2 4.18Å; F163-L195 HydrophobicContact CD1-CD2 3.92Å; F163-L195 HydrophobicContact CD1-CG 4.43Å; F163-L195 HydrophobicContact CE1-CD2 3.84Å; A193-L195 PolarHBondContact O-N 2.94Å
196L84.7Confident70.9Confident85 Ų8568.2 Ų68.245%0.44538%0.381SS..  trans-89.2165.3162.6-67173.5000109.8P162 R164 T198P162-L196 HydrophobicContact CB-CB 4.14Å; P162-L196 HydrophobicContact CB-CD1 4.48Å; P162-L196 HydrophobicContact CG-CB 3.87Å; P162-L196 PolarHBondContact O-N 3.29Å; R164-L196 HydrophobicContact CG-CD2 3.83Å; R164-L196 HydrophobicContact CG-CG 3.82Å; L196-T198 PolarHBondContact O-N 2.87Å; L196-T198 VanDerWaalsContact O-N 3.08Å
197A86.2Confident72.7Confident68 Ų6865.7 Ų65.756%0.56237%0.37SS*.  trans-60115.3-177.200000111.7R261A197-R261 PolarHBondContact O-NH2 2.93Å
198T91.1Very high74.6Confident43 Ų4360.5 Ų60.526%0.26437%0.371SS..  trans-66.6153.4-177.859.40000111.9H120 Y122 V160 L161 L196H120-T198 WeakPolarHBondContact ND1-CG2 3.39Å; Y122-T198 WeakPolarHBondContact OH-CB 3.32Å; Y122-T198 PolarHBondContact OH-OG1 2.91Å; V160-T198 WeakPolarHBondContact O-CA 3.22Å; V160-T198 WeakPolarHBondContact O-CB 3.39Å; L161-T198 HydrophobicContact CB-CG2 4.23Å; L161-T198 HydrophobicContact CD2-CG2 4.24Å; L161-T198 HydrophobicContact CG-CG2 3.88Å; L196-T198 PolarHBondContact O-N 2.87Å; L196-T198 VanDerWaalsContact O-N 3.08Å
199F92.5Very high76.7Confident22 Ų2257.8 Ų57.810%0.09636%0.358CS..EExtended strand (participates in β ladder)trans-146.8153.4179.265.2-85000112.2V160 P162 R261V160-F199 HydrophobicContact CB-CD1 4.16Å; V160-F199 HydrophobicContact CB-CD2 4.33Å; V160-F199 HydrophobicContact CB-CE1 3.76Å; V160-F199 HydrophobicContact CB-CE2 3.95Å; V160-F199 HydrophobicContact CB-CG 4.43Å; V160-F199 HydrophobicContact CB-CZ 3.65Å; V160-F199 HydrophobicContact CG1-CE1 3.79Å; V160-F199 HydrophobicContact CG1-CE2 4.48Å; V160-F199 HydrophobicContact CG1-CZ 3.73Å; V160-F199 HydrophobicContact CG2-CD2 4.29Å; V160-F199 HydrophobicContact CG2-CE1 4.44Å; V160-F199 HydrophobicContact CG2-CE2 3.74Å; V160-F199 HydrophobicContact CG2-CZ 3.83Å; V160-F199 PolarHBondContact N-O 2.82Å; V160-F199 PolarHBondContact O-N 3.11Å; V160-F199 VanDerWaalsContact O-N 3.13Å; P162-F199 HydrophobicContact CG-CE1 4.37Å; F199-R261 HydrophobicContact CD1-CB 4.5Å; F199-R261 HydrophobicContact CD1-CG 3.88Å; F199-R261 HydrophobicContact CD2-CB 4.05Å; F199-R261 HydrophobicContact CD2-CG 4.29Å; F199-R261 HydrophobicContact CE1-CB 4.25Å; F199-R261 HydrophobicContact CE1-CG 3.76Å; F199-R261 HydrophobicContact CE2-CB 3.77Å; F199-R261 HydrophobicContact CE2-CG 4.17Å; F199-R261 HydrophobicContact CG-CB 4.4Å; F199-R261 HydrophobicContact CG-CG 4.15Å; F199-R261 HydrophobicContact CZ-CB 3.88Å; F199-R261 HydrophobicContact CZ-CG 3.91Å
200T92.8Very high78.8Confident67 Ų6760.4 Ų60.441%0.41137%0.368SS..EExtended strand (participates in β ladder)trans-108.5132.7177.253.70000111.1Y122 L127 L158 A159Y122-T200 HydrophobicContact CD1-CG2 3.7Å; Y122-T200 HydrophobicContact CE1-CG2 3.98Å; L127-T200 HydrophobicContact CD1-CG2 4.3Å; L158-T200 CarbonylContact O-C 3.56Å; L158-T200 VanDerWaalsContact O-CA 3.32Å; L158-T200 WeakPolarHBondContact O-CA 3.29Å; A159-T200 HydrophobicContact CB-CG2 4.27Å
201T91.1Very high80.8Confident19 Ų1952.8 Ų52.812%0.11734%0.339CS..EExtended strand (participates in β ladder)trans-113.1151.7169.7-172.50000110.9H157 L158 S206 F256 N263H157-T201 CarbonylContact C-O 3.54Å; H157-T201 VanDerWaalsContact CA-O 3.3Å; H157-T201 WeakPolarHBondContact CA-O 3.3Å; L158-T201 HydrophobicContact CB-CG2 3.91Å; L158-T201 PolarHBondContact N-O 3.43Å; L158-T201 PolarHBondContact O-N 2.94Å; T201-S206 VanDerWaalsContact OG1-CB 3.3Å; T201-S206 WeakPolarHBondContact OG1-CB 3.45Å; T201-S206 PolarHBondContact OG1-OG 2.79Å; T201-F256 HydrophobicContact CG2-CE1 4.37Å; T201-N263 PolarHBondContact OG1-OD1 3.18Å; T201-N263 VanDerWaalsContact OG1-OD1 3.04Å
202C89.5Confident82.9Confident35 Ų3552 Ų5224%0.23633%0.325CS..EExtended strand (participates in β ladder)trans-101121.5174.9-1760000108.1H157 S204 T205 S206H157-C202 VanDerWaalsContact CE1-SG 3.59Å; C202-S204 PolarHBondContact O-N 2.83Å; C202-T205 PolarHBondContact O-N 3.4Å; C202-T205 PolarHBondContact SG-OG1 3.16Å; C202-S206 VanDerWaalsContact O-CB 3.32Å; C202-S206 WeakPolarHBondContact O-CB 3.17Å; C202-S206 PolarHBondContact O-N 3.32Å; C202-S206 PolarHBondContact O-OG 3.02Å
203L86.9Confident84.6Confident0 Ų051.7 Ų51.70%032%0.321CS..Hα-helixtrans-55.7-57.4-171.4-79.7161000111.5R156 L158 T205 S206 T207 I211 V214 L254R156-L203 WeakPolarHBondContact O-CB 3.41Å; R156-L203 PolarHBondContact O-N 3.42Å; L158-L203 HydrophobicContact CD1-CD2 3.73Å; L158-L203 HydrophobicContact CD1-CG 4.31Å; L158-L203 HydrophobicContact CD2-CD1 4.38Å; L158-L203 HydrophobicContact CG-CD1 4.2Å; L158-L203 HydrophobicContact CG-CD2 4.04Å; L158-L203 HydrophobicContact CG-CG 4.05Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.32Å; L203-S206 PolarHBondContact O-N 2.86Å; L203-S206 PolarHBondContact O-OG 3.49Å; L203-T207 PolarHBondContact O-N 3.37Å; L203-T207 PolarHBondContact O-OG1 3.14Å; L203-I211 HydrophobicContact CB-CB 3.96Å; L203-I211 HydrophobicContact CB-CD1 4.28Å; L203-I211 HydrophobicContact CB-CG2 3.91Å; L203-I211 HydrophobicContact CD1-CG2 3.97Å; L203-I211 HydrophobicContact CD2-CD1 4.21Å; L203-I211 HydrophobicContact CD2-CG2 4.3Å; L203-I211 HydrophobicContact CG-CG2 4.29Å; L203-V214 HydrophobicContact CD1-CG2 3.76Å; L203-L254 HydrophobicContact CD2-CD1 3.63Å
204S86.1Confident86Confident34 Ų3448.6 Ų48.624%0.23830%0.296CS..Hα-helixtrans-67.7-26.7-175.1-11.10000113.8C202 G208 E209 I211C202-S204 PolarHBondContact O-N 2.83Å; S204-G208 PolarHBondContact O-N 3.26Å; S204-E209 WeakPolarHBondContact CA-O 3.47Å; S204-E209 VanDerWaalsContact CB-O 3.31Å; S204-E209 WeakPolarHBondContact CB-O 3.26Å; S204-I211 PolarHBondContact OG-O 3.11Å
205T84.3Confident86.9Confident117 Ų11747.9 Ų47.972%0.71829%0.289SS*.Hα-helixtrans-85.5-28.7-179.9-43.50000112.9C202 L203C202-T205 PolarHBondContact O-N 3.4Å; C202-T205 PolarHBondContact SG-OG1 3.16Å; L203-T205 VanDerWaalsContact C-N 3.29Å; L203-T205 PolarHBondContact O-N 3.32Å
206S81.1Confident87.5Confident46 Ų4647.8 Ų47.832%0.32229%0.289SS..Hα-helixtrans-86.6-27.3-17857.50000113.6T201 C202 L203 N263T201-S206 VanDerWaalsContact OG1-CB 3.3Å; T201-S206 WeakPolarHBondContact OG1-CB 3.45Å; T201-S206 PolarHBondContact OG1-OG 2.79Å; C202-S206 VanDerWaalsContact O-CB 3.32Å; C202-S206 WeakPolarHBondContact O-CB 3.17Å; C202-S206 PolarHBondContact O-N 3.32Å; C202-S206 PolarHBondContact O-OG 3.02Å; L203-S206 PolarHBondContact O-N 2.86Å; L203-S206 PolarHBondContact O-OG 3.49Å; S206-N263 WeakPolarHBondContact CB-OD1 3.21Å; S206-N263 PolarHBondContact OG-ND2 2.91Å
207T81.3Confident88Confident33 Ų3343.7 Ų43.720%0.20227%0.268CS..Hα-helixtrans-98.3-29.4177.963.10000113.4L203 E209 I211 L254 V265L203-T207 PolarHBondContact O-N 3.37Å; L203-T207 PolarHBondContact O-OG1 3.14Å; T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact OG1-N 2.83Å; T207-E209 VanDerWaalsContact OG1-N 3.16Å; T207-I211 HydrophobicContact CG2-CD1 3.77Å; T207-I211 WeakPolarHBondContact OG1-CD1 3.41Å; T207-L254 HydrophobicContact CG2-CD2 3.61Å; T207-V265 HydrophobicContact CG2-CG2 3.76Å
208G79.5Confident88.4Confident68 Ų6842.7 Ų42.770%0.70125%0.252SS*.SBendtrans85.3-9.2-16900000114.2S204S204-G208 PolarHBondContact O-N 3.26Å
209E81.3Confident88.6Confident47 Ų4740.7 Ų40.722%0.2224%0.239CC..SBendtrans-85.6156.8176.5-71.4172.7-162.500112S204 T207 I211 Y232S204-E209 WeakPolarHBondContact CA-O 3.47Å; S204-E209 VanDerWaalsContact CB-O 3.31Å; S204-E209 WeakPolarHBondContact CB-O 3.26Å; T207-E209 VanDerWaalsContact C-N 3.26Å; T207-E209 PolarHBondContact OG1-N 2.83Å; T207-E209 VanDerWaalsContact OG1-N 3.16Å; E209-I211 HydrophobicContact CB-CD1 4.41Å; E209-I211 HydrophobicContact CB-CG1 3.97Å; E209-I211 PolarHBondContact O-N 2.84Å; E209-Y232 PolarHBondContact OE2-OH 3.26Å
210K85.8Confident88.7Confident166 Ų16640 Ų4072%0.72224%0.236SC*.  trans-83.153.5177.4-69.2-178.4-179.7173.10112.6N212K210-N212 PolarHBondContact O-N 3.49Å; K210-N212 VanDerWaalsContact O-N 3.08Å; K210-N212 PolarHBondContact O-ND2 2.95Å
211I88.9Confident88.7Confident0 Ų040.9 Ų40.90%023%0.233CC..  trans-65.3108.2174.3-52.3169.8000108.6L203 S204 T207 E209 V214 Y232 V252L203-I211 HydrophobicContact CB-CB 3.96Å; L203-I211 HydrophobicContact CB-CD1 4.28Å; L203-I211 HydrophobicContact CB-CG2 3.91Å; L203-I211 HydrophobicContact CD1-CG2 3.97Å; L203-I211 HydrophobicContact CD2-CD1 4.21Å; L203-I211 HydrophobicContact CD2-CG2 4.3Å; L203-I211 HydrophobicContact CG-CG2 4.29Å; S204-I211 PolarHBondContact OG-O 3.11Å; T207-I211 HydrophobicContact CG2-CD1 3.77Å; T207-I211 WeakPolarHBondContact OG1-CD1 3.41Å; E209-I211 HydrophobicContact CB-CD1 4.41Å; E209-I211 HydrophobicContact CB-CG1 3.97Å; E209-I211 PolarHBondContact O-N 2.84Å; I211-V214 HydrophobicContact CG2-CG2 4.34Å; I211-Y232 HydrophobicContact CB-CD2 4.37Å; I211-Y232 HydrophobicContact CB-CE2 4.19Å; I211-Y232 HydrophobicContact CG1-CE1 4.11Å; I211-Y232 HydrophobicContact CG1-CE2 4.13Å; I211-Y232 HydrophobicContact CG2-CD1 4.17Å; I211-Y232 HydrophobicContact CG2-CD2 4.07Å; I211-Y232 HydrophobicContact CG2-CE1 4.44Å; I211-Y232 HydrophobicContact CG2-CE2 4.34Å; I211-Y232 HydrophobicContact CG2-CG 3.96Å; I211-V252 HydrophobicContact CD1-CG1 3.88Å; I211-V252 HydrophobicContact CG1-CG1 4.39Å
212N86.5Confident88.4Confident52 Ų5242 Ų4228%0.27825%0.247SC..  trans-140158.4178.7-68.7-55.9000108.5K210 E233K210-N212 PolarHBondContact O-N 3.49Å; K210-N212 VanDerWaalsContact O-N 3.08Å; K210-N212 PolarHBondContact O-ND2 2.95Å; N212-E233 CarbonylContact O-C 3.58Å; N212-E233 PolarHBondContact O-N 3.2Å
213N88.6Confident88.4Confident61 Ų6143.1 Ų43.133%0.32625%0.249SC..SBendtrans51.759.3175.5-42.6-51.1000112.2L215 E233N213-L215 PolarHBondContact O-N 2.91Å; N213-E233 HydrophobicContact CB-CB 4.43Å; N213-E233 WeakPolarHBondContact CB-O 3.44Å; N213-E233 PolarHBondContact ND2-O 3.26Å; N213-E233 PolarHBondContact O-N 2.86Å
214V92.4Very high88.5Confident1 Ų153.1 Ų53.11%0.00629%0.288CS..EExtended strand (participates in β ladder)trans-59.3123.2175176.50000109.4K136 L152 L203 I211 V230K136-V214 WeakPolarHBondContact CE-O 3.37Å; K136-V214 WeakPolarHBondContact CG-O 3.41Å; L152-V214 HydrophobicContact CD1-CB 4.19Å; L152-V214 HydrophobicContact CD1-CG1 4.34Å; L152-V214 HydrophobicContact CD1-CG2 4.14Å; L152-V214 HydrophobicContact CD2-CB 3.94Å; L152-V214 HydrophobicContact CD2-CG1 3.84Å; L203-V214 HydrophobicContact CD1-CG2 3.76Å; I211-V214 HydrophobicContact CG2-CG2 4.34Å; V214-V230 HydrophobicContact CB-CG1 4.39Å; V214-V230 HydrophobicContact CG1-CG1 3.74Å; V214-V230 HydrophobicContact CG2-CG1 3.83Å
215L92.2Very high88.8Confident24 Ų2453.9 Ų53.913%0.12629%0.288CS..EExtended strand (participates in β ladder)trans-90-45.2-178.8-60.8179.2000110.6K136 N213 L231 E233 C276K136-L215 WeakPolarHBondContact CE-O 3.22Å; K136-L215 PolarHBondContact NZ-O 3.27Å; N213-L215 PolarHBondContact O-N 2.91Å; L215-L231 HydrophobicContact CB-CD2 4.02Å; L215-L231 HydrophobicContact CB-CG 4.07Å; L215-L231 HydrophobicContact CD1-CD2 4.34Å; L215-L231 HydrophobicContact CD1-CG 4.24Å; L215-L231 PolarHBondContact N-O 3.31Å; L215-E233 HydrophobicContact CD1-CB 4.36Å; L215-C276 WeakPolarHBondContact CD1-O 3.43Å
216D94.1Very high89.3Confident15 Ų1548.5 Ų48.58%0.0825%0.254CS..EExtended strand (participates in β ladder)trans-160.4165.3175.5-169.719.4000109.3R141 L231 S278 V279R141-D216 IonicContact CZ-OD1 3.01Å; R141-D216 IonicContact NH2-OD1 3.42Å; R141-D216 PolarHBondContact NH2-OD1 2.86Å; D216-L231 PolarHBondContact N-O 3.26Å; D216-L231 PolarHBondContact O-N 2.7Å; D216-S278 VanDerWaalsContact OD2-CA 3.24Å; D216-S278 WeakPolarHBondContact OD2-CA 3.47Å; D216-S278 VanDerWaalsContact OD2-CB 3.26Å; D216-S278 WeakPolarHBondContact OD2-CB 3.16Å; D216-V279 HydrophobicContact CB-CG2 4.16Å; D216-V279 PolarHBondContact OD2-N 3.37Å
217M94.9Very high90Very high0 Ų046.3 Ų46.30%024%0.239CC..EExtended strand (participates in β ladder)trans-149.3147.1175.664.5179.9-164.500110.3I139 R141 V150 L152 L158 L228 L229 V230I139-M217 HydrophobicContact CB-CE 4.25Å; I139-M217 HydrophobicContact CG2-CE 4.17Å; I139-M217 HydrophobicContact CG2-CG 4.28Å; I139-M217 VanDerWaalsContact O-CE 3.27Å; I139-M217 WeakPolarHBondContact O-CE 3.5Å; R141-M217 HydrophobicContact CB-CE 4.39Å; R141-M217 WeakPolarHBondContact CD-O 3.28Å; R141-M217 HydrophobicContact CG-CE 3.97Å; R141-M217 HydrophobicContact CG-CG 4.05Å; R141-M217 WeakPolarHBondContact CG-O 3.41Å; R141-M217 PolarHBondContact NE-O 3.34Å; V150-M217 HydrophobicContact CG1-CE 4.23Å; L152-M217 HydrophobicContact CB-CE 3.97Å; L152-M217 HydrophobicContact CB-SD 4.17Å; L158-M217 HydrophobicContact CD2-SD 3.83Å; M217-L228 HydrophobicContact CB-CD1 4.12Å; M217-L228 HydrophobicContact CB-CG 4.4Å; M217-L228 HydrophobicContact CG-CD1 4.3Å; M217-L228 HydrophobicContact SD-CD1 4.48Å; M217-L228 HydrophobicContact SD-CD2 3.98Å; M217-L229 CarbonylContact C-O 3.56Å; M217-L229 WeakPolarHBondContact CA-O 3.31Å; M217-L229 WeakPolarHBondContact CB-O 3.44Å; M217-V230 HydrophobicContact CB-CG2 4.18Å
218Q95.6Very high90.7Very high47 Ų4744.8 Ų44.822%0.2223%0.23CC..EExtended strand (participates in β ladder)trans-154.4139.3-174.9-178.662.53.300110.9R141 L229 V279 S281R141-Q218 VanDerWaalsContact CD-OE1 3.32Å; Q218-L229 PolarHBondContact N-O 3.46Å; Q218-L229 WeakPolarHBondContact O-CB 3.45Å; Q218-L229 PolarHBondContact O-N 3Å; Q218-V279 HydrophobicContact CB-CG2 3.87Å; Q218-S281 WeakPolarHBondContact CG-OG 3.19Å; Q218-S281 PolarHBondContact NE2-OG 3.29Å; Q218-S281 VanDerWaalsContact NE2-OG 3.15Å
219F96.2Very high91.5Very high1 Ų141.6 Ų41.60%0.00420%0.197CC..EExtended strand (participates in β ladder)trans-76.7140.7176-81.8-82.2000111.9R141 L142 D143 P144 V150 P226 T227 L228 F256 S281R141-F219 HydrophobicContact CB-CD2 3.91Å; R141-F219 HydrophobicContact CB-CE2 4.05Å; L142-F219 WeakPolarHBondContact O-CD2 3.47Å; D143-F219 HydrophobicContact CB-CD1 4.11Å; D143-F219 HydrophobicContact CB-CD2 4.44Å; D143-F219 HydrophobicContact CB-CE1 4.18Å; D143-F219 HydrophobicContact CB-CE2 4.48Å; D143-F219 HydrophobicContact CB-CG 4.26Å; D143-F219 HydrophobicContact CB-CZ 4.35Å; P144-F219 HydrophobicContact CG-CB 4.4Å; V150-F219 HydrophobicContact CB-CE2 4.18Å; V150-F219 HydrophobicContact CB-CZ 4.15Å; V150-F219 HydrophobicContact CG2-CE2 4.25Å; V150-F219 HydrophobicContact CG2-CZ 3.72Å; F219-P226 HydrophobicContact CD1-CB 4.41Å; F219-P226 HydrophobicContact CE1-CB 3.91Å; F219-T227 WeakPolarHBondContact CA-O 3.42Å; F219-T227 WeakPolarHBondContact CD1-O 3.41Å; F219-L228 HydrophobicContact CD1-CB 4.15Å; F219-L228 HydrophobicContact CD1-CD1 4.36Å; F219-L228 HydrophobicContact CD2-CD1 3.84Å; F219-L228 HydrophobicContact CE1-CB 3.91Å; F219-L228 HydrophobicContact CE1-CD1 4.38Å; F219-L228 HydrophobicContact CE2-CD1 3.9Å; F219-L228 HydrophobicContact CG-CD1 4.09Å; F219-L228 HydrophobicContact CZ-CB 4.29Å; F219-L228 HydrophobicContact CZ-CD1 4.17Å; F219-F256 HydrophobicContact CE1-CD2 4.49Å; F219-S281 WeakPolarHBondContact O-CB 3.48Å; F219-S281 PolarHBondContact O-OG 3.1Å
220L94.4Very high92.2Very high7 Ų739.4 Ų39.44%0.03719%0.186CC..PPolyproline II helixtrans-91.1140.5179.8-58.5-176.8000111.9F223 T227 L229L220-F223 HydrophobicContact CB-CD2 3.64Å; L220-F223 HydrophobicContact CB-CE2 3.6Å; L220-F223 HydrophobicContact CD1-CD2 4.48Å; L220-F223 HydrophobicContact CD1-CE2 3.77Å; L220-F223 HydrophobicContact CD1-CZ 4.18Å; L220-F223 HydrophobicContact CG-CE2 4.35Å; L220-T227 HydrophobicContact CD1-CG2 4.06Å; L220-T227 HydrophobicContact CG-CG2 4.47Å; L220-T227 PolarHBondContact N-O 3.18Å; L220-L229 HydrophobicContact CD1-CB 4.38Å; L220-L229 HydrophobicContact CD2-CB 3.97Å; L220-L229 HydrophobicContact CD2-CD2 4.43Å; L220-L229 HydrophobicContact CG-CB 4.13Å
221Y91.1Very high92.6Very high86 Ų8631.5 Ų31.534%0.33715%0.152SC..THydrogen-bonded Turntrans-74.5154.2174.8-65.1-90.6000112P144 F223 S281 V282P144-Y221 HydrophobicContact CB-CD1 3.74Å; P144-Y221 HydrophobicContact CB-CE1 3.58Å; P144-Y221 HydrophobicContact CG-CD1 3.84Å; P144-Y221 HydrophobicContact CG-CE1 3.71Å; P144-Y221 HydrophobicContact CG-CG 4.31Å; Y221-F223 VanDerWaalsContact O-CD2 3.29Å; Y221-F223 WeakPolarHBondContact O-CD2 3.01Å; Y221-F223 PolarHBondContact O-N 2.66Å; Y221-S281 WeakPolarHBondContact CE2-OG 3.48Å; Y221-V282 WeakPolarHBondContact CD2-O 3.34Å
222G85.3Confident92.9Very high41 Ų4131.8 Ų31.842%0.42315%0.153SC..THydrogen-bonded Turntrans81.1-5.1172.700000117.9Q284G222-Q284 VanDerWaalsContact CA-CD 3.47Å
223F90.1Very high93.2Very high60 Ų6030.2 Ų30.226%0.26314%0.144SC..  trans-85.7136.7179.7-69.7-94.9000113R147 L220 Y221 E225 T227 I266R147-F223 PolarHBondContact NH1-O 2.77Å; R147-F223 PolarHBondContact NH2-O 2.85Å; R147-F223 VanDerWaalsContact NH2-O 3.08Å; L220-F223 HydrophobicContact CB-CD2 3.64Å; L220-F223 HydrophobicContact CB-CE2 3.6Å; L220-F223 HydrophobicContact CD1-CD2 4.48Å; L220-F223 HydrophobicContact CD1-CE2 3.77Å; L220-F223 HydrophobicContact CD1-CZ 4.18Å; L220-F223 HydrophobicContact CG-CE2 4.35Å; Y221-F223 VanDerWaalsContact O-CD2 3.29Å; Y221-F223 WeakPolarHBondContact O-CD2 3.01Å; Y221-F223 PolarHBondContact O-N 2.66Å; F223-E225 CarbonylContact C-O 3.59Å; F223-E225 WeakPolarHBondContact CB-O 3.31Å; F223-T227 VanDerWaalsContact CB-OG1 3.26Å; F223-T227 WeakPolarHBondContact CB-OG1 3.46Å; F223-T227 HydrophobicContact CD1-CG2 4.3Å; F223-T227 HydrophobicContact CD2-CG2 4.41Å; F223-T227 HydrophobicContact CG-CG2 4.25Å; F223-T227 WeakPolarHBondContact CG-OG1 3.2Å; F223-I266 HydrophobicContact CD1-CD1 3.89Å; F223-I266 HydrophobicContact CE1-CD1 3.66Å
224Y89.1Confident93.3Very high210 Ų21029.2 Ų29.282%0.82414%0.141SC*.SBendtrans-68.9-33.3-178.8177.9-95.1000113.8R147R147-Y224 PolarHBondContact NH1-O 2.68Å
225E92Very high93.2Very high50 Ų5034 Ų3423%0.23417%0.166CC..SBendtrans-94.3154.8161.9-74.1-167.4155.600110R147 F223 T227 S255 N257R147-E225 PolarHBondContact NH2-O 3.29Å; F223-E225 CarbonylContact C-O 3.59Å; F223-E225 WeakPolarHBondContact CB-O 3.31Å; E225-T227 PolarHBondContact O-N 3.12Å; E225-T227 VanDerWaalsContact O-N 3.07Å; E225-T227 PolarHBondContact O-OG1 2.82Å; E225-S255 VanDerWaalsContact CB-OG 3.25Å; E225-S255 WeakPolarHBondContact CB-OG 3.35Å; E225-S255 PolarHBondContact OE2-OG 3.31Å; E225-N257 WeakPolarHBondContact OE1-CB 3.49Å; E225-N257 PolarHBondContact OE1-ND2 2.9Å
226P95.2Very high93Very high3 Ų334.7 Ų34.72%0.01918%0.179CC..  trans-65.2106.7171.621.8-27.2000110.7D143 R147 F219 F256 L258D143-P226 HydrophobicContact CB-CB 4.08Å; R147-P226 HydrophobicContact CB-CG 4.44Å; F219-P226 HydrophobicContact CD1-CB 4.41Å; F219-P226 HydrophobicContact CE1-CB 3.91Å; P226-F256 WeakPolarHBondContact CD-O 3.5Å; P226-F256 HydrophobicContact CG-CB 4.06Å; P226-F256 WeakPolarHBondContact O-CB 3.49Å; P226-F256 PolarHBondContact O-N 3.31Å; P226-L258 HydrophobicContact CG-CD1 4.22Å; P226-L258 HydrophobicContact CG-CD2 4.28Å; P226-L258 HydrophobicContact CG-CG 4.15Å
227T95.4Very high92.9Very high1 Ų135.1 Ų35.11%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-103115.1-176-60.80000111.3F219 L220 F223 E225 A253 L254 I266F219-T227 WeakPolarHBondContact CA-O 3.42Å; F219-T227 WeakPolarHBondContact CD1-O 3.41Å; L220-T227 HydrophobicContact CD1-CG2 4.06Å; L220-T227 HydrophobicContact CG-CG2 4.47Å; L220-T227 PolarHBondContact N-O 3.18Å; F223-T227 VanDerWaalsContact CB-OG1 3.26Å; F223-T227 WeakPolarHBondContact CB-OG1 3.46Å; F223-T227 HydrophobicContact CD1-CG2 4.3Å; F223-T227 HydrophobicContact CD2-CG2 4.41Å; F223-T227 HydrophobicContact CG-CG2 4.25Å; F223-T227 WeakPolarHBondContact CG-OG1 3.2Å; E225-T227 PolarHBondContact O-N 3.12Å; E225-T227 VanDerWaalsContact O-N 3.07Å; E225-T227 PolarHBondContact O-OG1 2.82Å; T227-A253 HydrophobicContact CG2-CB 4.12Å; T227-L254 CarbonylContact C-O 3.59Å; T227-L254 WeakPolarHBondContact CA-O 3.35Å; T227-I266 HydrophobicContact CG2-CD1 3.73Å; T227-I266 HydrophobicContact CG2-CG1 4.36Å
228L96.2Very high92.7Very high0 Ų043.1 Ų43.10%021%0.212CC..EExtended strand (participates in β ladder)trans-98.6120.6178.2-177.171.3000110.2V150 L158 M217 F219 V230 A253 L254 F256V150-L228 HydrophobicContact CG1-CD2 4.03Å; L158-L228 HydrophobicContact CD1-CD2 3.73Å; M217-L228 HydrophobicContact CB-CD1 4.12Å; M217-L228 HydrophobicContact CB-CG 4.4Å; M217-L228 HydrophobicContact CG-CD1 4.3Å; M217-L228 HydrophobicContact SD-CD1 4.48Å; M217-L228 HydrophobicContact SD-CD2 3.98Å; F219-L228 HydrophobicContact CD1-CB 4.15Å; F219-L228 HydrophobicContact CD1-CD1 4.36Å; F219-L228 HydrophobicContact CD2-CD1 3.84Å; F219-L228 HydrophobicContact CE1-CB 3.91Å; F219-L228 HydrophobicContact CE1-CD1 4.38Å; F219-L228 HydrophobicContact CE2-CD1 3.9Å; F219-L228 HydrophobicContact CG-CD1 4.09Å; F219-L228 HydrophobicContact CZ-CB 4.29Å; F219-L228 HydrophobicContact CZ-CD1 4.17Å; L228-V230 HydrophobicContact CD2-CG2 4.01Å; L228-V230 HydrophobicContact CG-CG2 4.11Å; L228-A253 WeakPolarHBondContact O-CA 3.37Å; L228-L254 PolarHBondContact N-O 3.31Å; L228-L254 PolarHBondContact O-N 3.19Å; L228-F256 HydrophobicContact CB-CD2 4.25Å; L228-F256 HydrophobicContact CB-CE2 3.76Å; L228-F256 HydrophobicContact CD2-CE2 3.93Å; L228-F256 HydrophobicContact CD2-CZ 4.46Å
229L95.7Very high92.4Very high1 Ų144.3 Ų44.31%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-83.3136.4165.3-166.378.4000109.6M217 Q218 L220 I251 V252 A253 W267 V279 V289M217-L229 CarbonylContact C-O 3.56Å; M217-L229 WeakPolarHBondContact CA-O 3.31Å; M217-L229 WeakPolarHBondContact CB-O 3.44Å; Q218-L229 PolarHBondContact N-O 3.46Å; Q218-L229 WeakPolarHBondContact O-CB 3.45Å; Q218-L229 PolarHBondContact O-N 3Å; L220-L229 HydrophobicContact CD1-CB 4.38Å; L220-L229 HydrophobicContact CD2-CB 3.97Å; L220-L229 HydrophobicContact CD2-CD2 4.43Å; L220-L229 HydrophobicContact CG-CB 4.13Å; L229-I251 HydrophobicContact CD1-CB 4.2Å; L229-I251 HydrophobicContact CD1-CD1 4.28Å; L229-I251 HydrophobicContact CD2-CD1 4.4Å; L229-I251 HydrophobicContact CD2-CG2 4.46Å; L229-I251 HydrophobicContact CG-CB 4.41Å; L229-V252 CarbonylContact C-O 3.58Å; L229-V252 WeakPolarHBondContact CA-O 3.25Å; L229-A253 HydrophobicContact CD1-CB 3.89Å; L229-W267 HydrophobicContact CD1-CE3 3.99Å; L229-W267 HydrophobicContact CD1-CZ3 4Å; L229-V279 HydrophobicContact CD2-CB 4.41Å; L229-V279 HydrophobicContact CD2-CG1 4.21Å; L229-V289 HydrophobicContact CD2-CB 3.97Å; L229-V289 HydrophobicContact CD2-CG1 3.84Å; L229-V289 HydrophobicContact CD2-CG2 3.68Å
230V95.5Very high92.1Very high1 Ų146.6 Ų46.61%0.00625%0.254CS..EExtended strand (participates in β ladder)trans-123.8120.9177.4-176.20000108.7V214 M217 L228 I251 V252 L254V214-V230 HydrophobicContact CB-CG1 4.39Å; V214-V230 HydrophobicContact CG1-CG1 3.74Å; V214-V230 HydrophobicContact CG2-CG1 3.83Å; M217-V230 HydrophobicContact CB-CG2 4.18Å; L228-V230 HydrophobicContact CD2-CG2 4.01Å; L228-V230 HydrophobicContact CG-CG2 4.11Å; V230-I251 WeakPolarHBondContact O-CA 3.46Å; V230-V252 HydrophobicContact CB-CG1 4.02Å; V230-V252 PolarHBondContact N-O 3.06Å; V230-V252 PolarHBondContact O-N 2.78Å; V230-L254 HydrophobicContact CG2-CD1 4.14Å
231L95.5Very high92Very high0 Ų051.6 Ų51.60%027%0.272CS..EExtended strand (participates in β ladder)trans-91.3127.7169.3174.971.8000108.5L215 D216 C249 I251 L272 C276 V279 V291L215-L231 HydrophobicContact CB-CD2 4.02Å; L215-L231 HydrophobicContact CB-CG 4.07Å; L215-L231 HydrophobicContact CD1-CD2 4.34Å; L215-L231 HydrophobicContact CD1-CG 4.24Å; L215-L231 PolarHBondContact N-O 3.31Å; D216-L231 PolarHBondContact N-O 3.26Å; D216-L231 PolarHBondContact O-N 2.7Å; L231-C249 HydrophobicContact CD1-CB 4.48Å; L231-I251 HydrophobicContact CB-CG2 4.13Å; L231-I251 HydrophobicContact CD1-CG2 3.61Å; L231-I251 HydrophobicContact CG-CG2 4.49Å; L231-L272 HydrophobicContact CD1-CD1 4.44Å; L231-C276 HydrophobicContact CD1-CB 4.11Å; L231-C276 HydrophobicContact CD2-CB 4.15Å; L231-V279 HydrophobicContact CB-CG1 3.83Å; L231-V279 HydrophobicContact CB-CG2 4.45Å; L231-V279 HydrophobicContact CD2-CG1 4.2Å; L231-V279 HydrophobicContact CG-CG1 4.45Å; L231-V291 HydrophobicContact CD1-CG1 4.33Å; L231-V291 HydrophobicContact CD2-CG1 4.39Å
232Y94.5Very high91.9Very high6 Ų648.4 Ų48.42%0.02426%0.261CS..EExtended strand (participates in β ladder)trans-150.6163.2-17575.2-84.4000113.1E209 I211 P234 C250 V252 F268E209-Y232 PolarHBondContact OE2-OH 3.26Å; I211-Y232 HydrophobicContact CB-CD2 4.37Å; I211-Y232 HydrophobicContact CB-CE2 4.19Å; I211-Y232 HydrophobicContact CG1-CE1 4.11Å; I211-Y232 HydrophobicContact CG1-CE2 4.13Å; I211-Y232 HydrophobicContact CG2-CD1 4.17Å; I211-Y232 HydrophobicContact CG2-CD2 4.07Å; I211-Y232 HydrophobicContact CG2-CE1 4.44Å; I211-Y232 HydrophobicContact CG2-CE2 4.34Å; I211-Y232 HydrophobicContact CG2-CG 3.96Å; Y232-P234 HydrophobicContact CD2-CG 4.08Å; Y232-P234 HydrophobicContact CE2-CB 4.34Å; Y232-P234 HydrophobicContact CE2-CG 3.62Å; Y232-C250 HydrophobicContact CD1-CB 4.39Å; Y232-C250 HydrophobicContact CE1-CB 3.91Å; Y232-C250 HydrophobicContact CE2-CB 4.45Å; Y232-C250 PolarHBondContact N-O 2.68Å; Y232-C250 PolarHBondContact O-N 3.49Å; Y232-V252 HydrophobicContact CD1-CG1 4.09Å; Y232-V252 HydrophobicContact CE1-CB 4.03Å; Y232-V252 HydrophobicContact CE1-CG1 3.67Å; Y232-F268 WeakPolarHBondContact OH-CE2 3.46Å
233E92.7Very high92Very high20 Ų2051.8 Ų51.89%0.09328%0.279CS..  trans-122.699.3179-164.4-172.6-171.500110.5N212 N213 L215 I235 G236 T237 T248N212-E233 CarbonylContact O-C 3.58Å; N212-E233 PolarHBondContact O-N 3.2Å; N213-E233 HydrophobicContact CB-CB 4.43Å; N213-E233 WeakPolarHBondContact CB-O 3.44Å; N213-E233 PolarHBondContact ND2-O 3.26Å; N213-E233 PolarHBondContact O-N 2.86Å; L215-E233 HydrophobicContact CD1-CB 4.36Å; E233-I235 PolarHBondContact O-N 3.24Å; E233-I235 VanDerWaalsContact O-N 3.1Å; E233-G236 WeakPolarHBondContact OE2-CA 3.39Å; E233-T237 WeakPolarHBondContact OE1-CG2 3.38Å; E233-T237 PolarHBondContact OE1-N 2.91Å; E233-T248 WeakPolarHBondContact CG-O 3.2Å; E233-T248 VanDerWaalsContact OE1-CB 3.31Å; E233-T248 WeakPolarHBondContact OE1-CB 3.28Å; E233-T248 PolarHBondContact OE1-OG1 3.2Å
234P90.7Very high92Very high39 Ų3952.3 Ų52.325%0.25329%0.294SS..SBendtrans-55.4-31.4-177.9-15.919.2000114.1Y232 T248Y232-P234 HydrophobicContact CD2-CG 4.08Å; Y232-P234 HydrophobicContact CE2-CB 4.34Å; Y232-P234 HydrophobicContact CE2-CG 3.62Å; P234-T248 WeakPolarHBondContact CD-O 3.49Å
235I90.4Very high92Very high102 Ų10247.2 Ų47.252%0.52327%0.274SS..SBendtrans-139.5102.3-178.3-56177.6000109.4E233E233-I235 PolarHBondContact O-N 3.24Å; E233-I235 VanDerWaalsContact O-N 3.1Å
236G88.3Confident91.9Very high39 Ų3949.7 Ų49.740%0.40228%0.281SS..  trans-49.8134.9-179.400000115.5E233 R245E233-G236 WeakPolarHBondContact OE2-CA 3.39Å; G236-R245 PolarHBondContact O-NH1 3.49Å
237T92.2Very high91.8Very high23 Ų2350.5 Ų50.514%0.14129%0.285CS..  trans-132.7178.6169.1-153.30000112.1E233 T248 F274E233-T237 WeakPolarHBondContact OE1-CG2 3.38Å; E233-T237 PolarHBondContact OE1-N 2.91Å; T237-T248 HydrophobicContact CG2-CG2 4.11Å; T237-T248 WeakPolarHBondContact CG2-OG1 3.41Å; T237-F274 HydrophobicContact CG2-CB 3.68Å; T237-F274 HydrophobicContact CG2-CD2 3.72Å; T237-F274 HydrophobicContact CG2-CG 4.03Å
238W90.6Very high91.7Very high169 Ų16951.5 Ų51.564%0.6429%0.291SS*.  trans-155.4168.9172.465.9-83.9000110.4G240 R241 V242W238-G240 PolarHBondContact O-N 3.06Å; W238-R241 HydrophobicContact CZ2-CG 4.39Å; W238-R241 VanDerWaalsContact NE1-CD 3.32Å; W238-R241 WeakPolarHBondContact O-CA 3.46Å; W238-R241 PolarHBondContact O-N 2.69Å; W238-V242 PolarHBondContact O-N 3.41Å
239A89.8Confident91.7Very high72 Ų7251.5 Ų51.560%0.59529%0.291SS*.G310 helixtrans-49.1-47.7-17100000114.5R241 V242A239-R241 PolarHBondContact O-N 2.91Å; A239-V242 WeakPolarHBondContact O-CB 3.34Å; A239-V242 VanDerWaalsContact O-CG2 3.29Å; A239-V242 WeakPolarHBondContact O-CG2 3.38Å; A239-V242 PolarHBondContact O-N 2.91Å
240G89.3Confident91.7Very high49 Ų4951.9 Ų51.951%0.50529%0.294SS..G310 helixtrans-67.2-3.4178.100000115.4W238W238-G240 PolarHBondContact O-N 3.06Å
241R91.6Very high91.6Very high111 Ų11151.8 Ų51.842%0.41929%0.293SS..G310 helixtrans-116.94.8176.8-65.1-173.666.283.97.1114W238 A239 S243 A244 R245W238-R241 HydrophobicContact CZ2-CG 4.39Å; W238-R241 VanDerWaalsContact NE1-CD 3.32Å; W238-R241 WeakPolarHBondContact O-CA 3.46Å; W238-R241 PolarHBondContact O-N 2.69Å; A239-R241 PolarHBondContact O-N 2.91Å; R241-S243 PolarHBondContact O-N 3.14Å; R241-S243 VanDerWaalsContact O-N 3.17Å; R241-A244 PolarHBondContact O-N 3.31Å; R241-R245 PolarHBondContact O-N 3.11Å
242V89.1Confident91.6Very high19 Ų1951.8 Ų51.812%0.11529%0.293CS..THydrogen-bonded Turntrans-59.6-24.8177.4172.60000112.8W238 A239 A244 R245 R246 F274W238-V242 PolarHBondContact O-N 3.41Å; A239-V242 WeakPolarHBondContact O-CB 3.34Å; A239-V242 VanDerWaalsContact O-CG2 3.29Å; A239-V242 WeakPolarHBondContact O-CG2 3.38Å; A239-V242 PolarHBondContact O-N 2.91Å; V242-A244 VanDerWaalsContact C-N 3.26Å; V242-A244 PolarHBondContact O-N 2.77Å; V242-R245 WeakPolarHBondContact CA-O 3.34Å; V242-R246 HydrophobicContact CG1-CG 4.22Å; V242-R246 WeakPolarHBondContact O-CG 3.37Å; V242-F274 HydrophobicContact CG1-CE1 4.44Å; V242-F274 HydrophobicContact CG2-CD1 3.89Å; V242-F274 HydrophobicContact CG2-CD2 3.95Å; V242-F274 HydrophobicContact CG2-CE1 3.57Å; V242-F274 HydrophobicContact CG2-CE2 3.61Å; V242-F274 HydrophobicContact CG2-CG 4.09Å; V242-F274 HydrophobicContact CG2-CZ 3.41Å; V242-F274 VanDerWaalsContact CG2-CZ 3.41Å
243S87.5Confident91.6Very high112 Ų11251.6 Ų51.678%0.78329%0.293SS*.THydrogen-bonded Turntrans-64.9-24.8170.8540000114.2R241R241-S243 PolarHBondContact O-N 3.14Å; R241-S243 VanDerWaalsContact O-N 3.17Å
244A90Very high91.7Very high72 Ų7250.6 Ų50.660%0.59529%0.288SS*.THydrogen-bonded Turntrans-114.4-18.8-176.500000114R241 V242R241-A244 PolarHBondContact O-N 3.31Å; V242-A244 VanDerWaalsContact C-N 3.26Å; V242-A244 PolarHBondContact O-N 2.77Å
245R90.1Very high91.9Very high102 Ų10249.3 Ų49.339%0.38528%0.28SS..  trans-147110.6176-69.9-175.8-176.8161.3-1109.9G236 R241 V242 T248G236-R245 PolarHBondContact O-NH1 3.49Å; R241-R245 PolarHBondContact O-N 3.11Å; V242-R245 WeakPolarHBondContact CA-O 3.34Å; R245-T248 HydrophobicContact CB-CG2 4.08Å
246R89.6Confident92Very high103 Ų10344.5 Ų44.539%0.38926%0.255SS..  trans-106165.9170.3-59.9-177.6177.8-158.8-12.9109.7V242 T248 I317 S318 N320V242-R246 HydrophobicContact CG1-CG 4.22Å; V242-R246 WeakPolarHBondContact O-CG 3.37Å; R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.01Å; R246-T248 VanDerWaalsContact O-N 3.16Å; R246-I317 VanDerWaalsContact CZ-O 3.32Å; R246-I317 PolarHBondContact NH1-O 2.89Å; R246-I317 PolarHBondContact NH2-O 3.24Å; R246-S318 WeakPolarHBondContact CD-O 3.38Å; R246-S318 WeakPolarHBondContact CG-O 3.42Å; R246-N320 PolarHBondContact NH1-OD1 3.33Å
247D92.8Very high92.2Very high20 Ų2044.1 Ų44.111%0.10724%0.244CC..  trans52.143.4162.6-50.7-34.1000114.1S271 L272 T319 N320D247-S271 WeakPolarHBondContact O-CA 3.37Å; D247-L272 CarbonylContact C-O 3.57Å; D247-L272 WeakPolarHBondContact CA-O 3.41Å; D247-T319 VanDerWaalsContact OD1-CA 3.23Å; D247-T319 WeakPolarHBondContact OD1-CA 3.48Å; D247-T319 WeakPolarHBondContact OD1-CB 3.39Å; D247-T319 PolarHBondContact OD1-OG1 2.87Å; D247-N320 WeakPolarHBondContact OD2-CB 3.12Å; D247-N320 PolarHBondContact OD2-N 3.29Å; D247-N320 PolarHBondContact OD2-ND2 3.31Å
248T94.3Very high92Very high22 Ų2244.7 Ų44.714%0.13525%0.246CC..  trans-83.8-6.3-172.146.70000114.6E233 P234 T237 R245 R246 F274E233-T248 WeakPolarHBondContact CG-O 3.2Å; E233-T248 VanDerWaalsContact OE1-CB 3.31Å; E233-T248 WeakPolarHBondContact OE1-CB 3.28Å; E233-T248 PolarHBondContact OE1-OG1 3.2Å; P234-T248 WeakPolarHBondContact CD-O 3.49Å; T237-T248 HydrophobicContact CG2-CG2 4.11Å; T237-T248 WeakPolarHBondContact CG2-OG1 3.41Å; R245-T248 HydrophobicContact CB-CG2 4.08Å; R246-T248 VanDerWaalsContact C-N 3.29Å; R246-T248 PolarHBondContact O-N 3.01Å; R246-T248 VanDerWaalsContact O-N 3.16Å; T248-F274 WeakPolarHBondContact OG1-CB 3.39Å
249C95.1Very high91.8Very high0 Ų045.5 Ų45.50%026%0.257CS..EExtended strand (participates in β ladder)trans-90.6145.7-175.9-69.10000112.4L231 L272 P273 C276L231-C249 HydrophobicContact CD1-CB 4.48Å; C249-L272 HydrophobicContact CB-CB 3.94Å; C249-L272 PolarHBondContact N-O 2.84Å; C249-L272 WeakPolarHBondContact O-CB 3.46Å; C249-L272 PolarHBondContact O-N 2.78Å; C249-P273 WeakPolarHBondContact CB-O 3.44Å; C249-P273 PolarHBondContact SG-O 2.9Å; C249-P273 VanDerWaalsContact SG-O 3.32Å; C249-C276 HydrophobicContact CB-CB 4.09Å
250C95Very high91.8Very high8 Ų849.5 Ų49.55%0.05426%0.261CS..EExtended strand (participates in β ladder)trans-132.6155.3175-56.70000110.8Y232 F268 Q269Y232-C250 HydrophobicContact CD1-CB 4.39Å; Y232-C250 HydrophobicContact CE1-CB 3.91Å; Y232-C250 HydrophobicContact CE2-CB 4.45Å; Y232-C250 PolarHBondContact N-O 2.68Å; Y232-C250 PolarHBondContact O-N 3.49Å; C250-F268 HydrophobicContact CB-CE2 4.16Å; C250-Q269 VanDerWaalsContact CA-O 3.3Å; C250-Q269 WeakPolarHBondContact CA-O 3.33Å
251I95.1Very high91.9Very high0 Ų053 Ų530%026%0.259CS..EExtended strand (participates in β ladder)trans-118.5145.6165.658.2172.3000111.1L229 V230 L231 W267 F268 Q269 L272 L300L229-I251 HydrophobicContact CD1-CB 4.2Å; L229-I251 HydrophobicContact CD1-CD1 4.28Å; L229-I251 HydrophobicContact CD2-CD1 4.4Å; L229-I251 HydrophobicContact CD2-CG2 4.46Å; L229-I251 HydrophobicContact CG-CB 4.41Å; V230-I251 WeakPolarHBondContact O-CA 3.46Å; L231-I251 HydrophobicContact CB-CG2 4.13Å; L231-I251 HydrophobicContact CD1-CG2 3.61Å; L231-I251 HydrophobicContact CG-CG2 4.49Å; I251-W267 HydrophobicContact CD1-CH2 3.83Å; I251-W267 HydrophobicContact CD1-CZ2 3.97Å; I251-W267 HydrophobicContact CD1-CZ3 4.26Å; I251-F268 WeakPolarHBondContact O-CA 3.44Å; I251-F268 VanDerWaalsContact O-CD2 3.27Å; I251-F268 WeakPolarHBondContact O-CD2 3.36Å; I251-Q269 HydrophobicContact CD1-CB 4.21Å; I251-Q269 HydrophobicContact CG1-CB 3.75Å; I251-Q269 PolarHBondContact N-O 3.23Å; I251-Q269 PolarHBondContact O-N 3.48Å; I251-L272 HydrophobicContact CB-CD1 4.42Å; I251-L272 HydrophobicContact CG1-CD1 4.11Å; I251-L272 HydrophobicContact CG2-CD1 3.8Å; I251-L300 HydrophobicContact CD1-CD1 3.62Å
252V94.6Very high91.7Very high0 Ų050.9 Ų50.90%026%0.258CS..EExtended strand (participates in β ladder)trans-137.6136.9174.766.40000110.5I211 L229 V230 Y232 L254 V265 W267 F268I211-V252 HydrophobicContact CD1-CG1 3.88Å; I211-V252 HydrophobicContact CG1-CG1 4.39Å; L229-V252 CarbonylContact C-O 3.58Å; L229-V252 WeakPolarHBondContact CA-O 3.25Å; V230-V252 HydrophobicContact CB-CG1 4.02Å; V230-V252 PolarHBondContact N-O 3.06Å; V230-V252 PolarHBondContact O-N 2.78Å; Y232-V252 HydrophobicContact CD1-CG1 4.09Å; Y232-V252 HydrophobicContact CE1-CB 4.03Å; Y232-V252 HydrophobicContact CE1-CG1 3.67Å; V252-L254 HydrophobicContact CG1-CD2 4.46Å; V252-L254 HydrophobicContact CG2-CD2 4.03Å; V252-V265 HydrophobicContact CG2-CB 4.23Å; V252-V265 HydrophobicContact CG2-CG1 3.54Å; V252-V265 HydrophobicContact CG2-CG2 3.73Å; V252-W267 WeakPolarHBondContact CA-O 3.18Å; V252-F268 HydrophobicContact CB-CD2 4.06Å; V252-F268 HydrophobicContact CG2-CD2 4.24Å
253A94.7Very high91.8Very high1 Ų150.3 Ų50.31%0.00825%0.254CS..EExtended strand (participates in β ladder)trans-106.1122.3177.400000110.9T227 L228 L229 V265 I266 W267T227-A253 HydrophobicContact CG2-CB 4.12Å; L228-A253 WeakPolarHBondContact O-CA 3.37Å; L229-A253 HydrophobicContact CD1-CB 3.89Å; A253-V265 WeakPolarHBondContact O-CA 3.35Å; A253-I266 HydrophobicContact CB-CG1 3.96Å; A253-I266 PolarHBondContact O-N 3.36Å; A253-W267 HydrophobicContact CB-CB 3.93Å; A253-W267 HydrophobicContact CB-CE3 4.39Å; A253-W267 PolarHBondContact N-O 2.87Å
254L94.4Very high92Very high0 Ų048 Ų480%024%0.237CC..EExtended strand (participates in β ladder)trans-109.6119-175.5-53.4179.8000110.4L158 L203 T207 T227 L228 V230 V252 F256 P264 V265L158-L254 HydrophobicContact CD1-CD1 4.34Å; L203-L254 HydrophobicContact CD2-CD1 3.63Å; T207-L254 HydrophobicContact CG2-CD2 3.61Å; T227-L254 CarbonylContact C-O 3.59Å; T227-L254 WeakPolarHBondContact CA-O 3.35Å; L228-L254 PolarHBondContact N-O 3.31Å; L228-L254 PolarHBondContact O-N 3.19Å; V230-L254 HydrophobicContact CG2-CD1 4.14Å; V252-L254 HydrophobicContact CG1-CD2 4.46Å; V252-L254 HydrophobicContact CG2-CD2 4.03Å; L254-F256 HydrophobicContact CB-CE2 4.38Å; L254-P264 WeakPolarHBondContact CA-O 3.45Å; L254-V265 HydrophobicContact CD2-CG2 3.82Å
255S94.7Very high92.1Very high12 Ų1247 Ų478%0.08422%0.223CC..EExtended strand (participates in β ladder)trans-89.6114.5176.8-163.20000110.6E225 N257 N263 P264E225-S255 VanDerWaalsContact CB-OG 3.25Å; E225-S255 WeakPolarHBondContact CB-OG 3.35Å; E225-S255 PolarHBondContact OE2-OG 3.31Å; S255-N257 PolarHBondContact O-N 3.29Å; S255-N263 WeakPolarHBondContact O-CA 3.21Å; S255-P264 PolarHBondContact N-O 2.74Å; S255-P264 VanDerWaalsContact O-CD 3.26Å; S255-P264 WeakPolarHBondContact O-CD 3.2Å
256F93Very high92.2Very high1 Ų145 Ų450%0.00422%0.219CC..  trans-89.3102.2-175.9-79.4-80.7000113V150 L158 V160 T201 F219 P226 L228 L254 L258 N263V150-F256 HydrophobicContact CG2-CE2 4.23Å; V150-F256 HydrophobicContact CG2-CZ 4.34Å; L158-F256 HydrophobicContact CD1-CZ 3.84Å; V160-F256 HydrophobicContact CG2-CD1 4.17Å; V160-F256 HydrophobicContact CG2-CE1 3.66Å; V160-F256 HydrophobicContact CG2-CZ 4.28Å; T201-F256 HydrophobicContact CG2-CE1 4.37Å; F219-F256 HydrophobicContact CE1-CD2 4.49Å; P226-F256 WeakPolarHBondContact CD-O 3.5Å; P226-F256 HydrophobicContact CG-CB 4.06Å; P226-F256 WeakPolarHBondContact O-CB 3.49Å; P226-F256 PolarHBondContact O-N 3.31Å; L228-F256 HydrophobicContact CB-CD2 4.25Å; L228-F256 HydrophobicContact CB-CE2 3.76Å; L228-F256 HydrophobicContact CD2-CE2 3.93Å; L228-F256 HydrophobicContact CD2-CZ 4.46Å; L254-F256 HydrophobicContact CB-CE2 4.38Å; F256-L258 HydrophobicContact CB-CD2 4.15Å; F256-L258 PolarHBondContact O-N 2.75Å; F256-L258 VanDerWaalsContact O-N 3.09Å; F256-N263 HydrophobicContact CD1-CB 3.71Å; F256-N263 HydrophobicContact CE1-CB 3.57Å; F256-N263 HydrophobicContact CG-CB 4.4Å; F256-N263 HydrophobicContact CZ-CB 4.16Å
257N91.9Very high92.3Very high31 Ų3141.5 Ų41.517%0.16621%0.206CC..BIsolated β-bridgetrans-78.294.5166.6-168.6-78.6000110.1E225 S255 Q259 K260 R261 T262E225-N257 WeakPolarHBondContact OE1-CB 3.49Å; E225-N257 PolarHBondContact OE1-ND2 2.9Å; S255-N257 PolarHBondContact O-N 3.29Å; N257-Q259 PolarHBondContact O-N 2.95Å; N257-K260 HydrophobicContact CB-CB 4.43Å; N257-K260 PolarHBondContact O-N 3.27Å; N257-K260 VanDerWaalsContact OD1-CB 3.3Å; N257-K260 WeakPolarHBondContact OD1-CB 3.41Å; N257-K260 VanDerWaalsContact OD1-CG 3.31Å; N257-K260 WeakPolarHBondContact OD1-CG 3.43Å; N257-K260 PolarHBondContact OD1-N 2.95Å; N257-R261 WeakPolarHBondContact O-CA 3.24Å; N257-R261 PolarHBondContact O-N 3.47Å; N257-T262 PolarHBondContact N-O 3.16Å; N257-T262 PolarHBondContact O-N 3.35Å
258L89.2Confident92.2Very high34 Ų3443.9 Ų43.918%0.17822%0.216CC..THydrogen-bonded Turntrans-61.7-27-173.4-57.7-179.9000114.2R147 C148 V160 P162 P226 F256R147-L258 HydrophobicContact CB-CD1 4.45Å; R147-L258 WeakPolarHBondContact O-CD1 3.4Å; C148-L258 HydrophobicContact CB-CD1 4.13Å; C148-L258 HydrophobicContact CB-CD2 4.06Å; V160-L258 HydrophobicContact CG1-CD2 4.11Å; P162-L258 HydrophobicContact CB-CD1 4.35Å; P162-L258 HydrophobicContact CB-CD2 4.42Å; P226-L258 HydrophobicContact CG-CD1 4.22Å; P226-L258 HydrophobicContact CG-CD2 4.28Å; P226-L258 HydrophobicContact CG-CG 4.15Å; F256-L258 HydrophobicContact CB-CD2 4.15Å; F256-L258 PolarHBondContact O-N 2.75Å; F256-L258 VanDerWaalsContact O-N 3.09Å
259Q86.8Confident92.1Very high186 Ų18646.7 Ų46.787%0.86923%0.227SC*.THydrogen-bonded Turntrans-76.1-48.6178.5-68.3180-9.700112N257 R261N257-Q259 PolarHBondContact O-N 2.95Å; Q259-R261 VanDerWaalsContact C-N 3.31Å
260K88.9Confident91.9Very high156 Ų15651.8 Ų51.868%0.67825%0.251SS*.THydrogen-bonded Turntrans-79.5-13.9179.3-64.4172.3-176.2172.20113.1N257 T262N257-K260 HydrophobicContact CB-CB 4.43Å; N257-K260 PolarHBondContact O-N 3.27Å; N257-K260 VanDerWaalsContact OD1-CB 3.3Å; N257-K260 WeakPolarHBondContact OD1-CB 3.41Å; N257-K260 VanDerWaalsContact OD1-CG 3.31Å; N257-K260 WeakPolarHBondContact OD1-CG 3.43Å; N257-K260 PolarHBondContact OD1-N 2.95Å; K260-T262 VanDerWaalsContact C-N 3.27Å; K260-T262 HydrophobicContact CB-CG2 4.17Å; K260-T262 PolarHBondContact O-N 2.75Å
261R90.3Very high91.8Very high123 Ų12354.8 Ų54.846%0.46427%0.272SS..THydrogen-bonded Turntrans58.137.3-173.9-58.8-178.7165.7-178.8-9.3112.9A197 F199 N257 Q259A197-R261 PolarHBondContact O-NH2 2.93Å; F199-R261 HydrophobicContact CD1-CB 4.5Å; F199-R261 HydrophobicContact CD1-CG 3.88Å; F199-R261 HydrophobicContact CD2-CB 4.05Å; F199-R261 HydrophobicContact CD2-CG 4.29Å; F199-R261 HydrophobicContact CE1-CB 4.25Å; F199-R261 HydrophobicContact CE1-CG 3.76Å; F199-R261 HydrophobicContact CE2-CB 3.77Å; F199-R261 HydrophobicContact CE2-CG 4.17Å; F199-R261 HydrophobicContact CG-CB 4.4Å; F199-R261 HydrophobicContact CG-CG 4.15Å; F199-R261 HydrophobicContact CZ-CB 3.88Å; F199-R261 HydrophobicContact CZ-CG 3.91Å; N257-R261 WeakPolarHBondContact O-CA 3.24Å; N257-R261 PolarHBondContact O-N 3.47Å; Q259-R261 VanDerWaalsContact C-N 3.31Å
262T89.5Confident91.8Very high66 Ų6654.8 Ų54.841%0.40527%0.272SS..BIsolated β-bridgetrans-114.2146.1179.953.30000111.4N257 K260N257-T262 PolarHBondContact N-O 3.16Å; N257-T262 PolarHBondContact O-N 3.35Å; K260-T262 VanDerWaalsContact C-N 3.27Å; K260-T262 HydrophobicContact CB-CG2 4.17Å; K260-T262 PolarHBondContact O-N 2.75Å
263N90.8Very high91.8Very high7 Ų754.8 Ų54.84%0.03727%0.272CS..  trans-129.861.4-175.359.1-86.7000113.5T201 S206 S255 F256T201-N263 PolarHBondContact OG1-OD1 3.18Å; T201-N263 VanDerWaalsContact OG1-OD1 3.04Å; S206-N263 WeakPolarHBondContact CB-OD1 3.21Å; S206-N263 PolarHBondContact OG-ND2 2.91Å; S255-N263 WeakPolarHBondContact O-CA 3.21Å; F256-N263 HydrophobicContact CD1-CB 3.71Å; F256-N263 HydrophobicContact CE1-CB 3.57Å; F256-N263 HydrophobicContact CG-CB 4.4Å; F256-N263 HydrophobicContact CZ-CB 4.16Å
264P91.8Very high91.7Very high65 Ų6556.4 Ų56.442%0.42228%0.279SS..  trans-56.9146.917824.6-36.7000113.7L254 S255L254-P264 WeakPolarHBondContact CA-O 3.45Å; S255-P264 PolarHBondContact N-O 2.74Å; S255-P264 VanDerWaalsContact O-CD 3.26Å; S255-P264 WeakPolarHBondContact O-CD 3.2Å
265V92.3Very high91.7Very high49 Ų4957.3 Ų57.330%0.29728%0.284SS..EExtended strand (participates in β ladder)trans-73.8133.8170.2178.40000109.6T207 V252 A253 L254 F268T207-V265 HydrophobicContact CG2-CG2 3.76Å; V252-V265 HydrophobicContact CG2-CB 4.23Å; V252-V265 HydrophobicContact CG2-CG1 3.54Å; V252-V265 HydrophobicContact CG2-CG2 3.73Å; A253-V265 WeakPolarHBondContact O-CA 3.35Å; L254-V265 HydrophobicContact CD2-CG2 3.82Å; V265-F268 HydrophobicContact CG1-CB 4.39Å
266I91.7Very high91.7Very high60 Ų6057 Ų5731%0.30828%0.281SS..EExtended strand (participates in β ladder)trans-121.2-19.5177.468.2168.9000114.3F223 T227 A253 Q302F223-I266 HydrophobicContact CD1-CD1 3.89Å; F223-I266 HydrophobicContact CE1-CD1 3.66Å; T227-I266 HydrophobicContact CG2-CD1 3.73Å; T227-I266 HydrophobicContact CG2-CG1 4.36Å; A253-I266 HydrophobicContact CB-CG1 3.96Å; A253-I266 PolarHBondContact O-N 3.36Å; I266-Q302 PolarHBondContact O-NE2 3.09Å
267W91.5Very high91.6Very high31 Ų3163.8 Ų63.812%0.11731%0.307CS..EExtended strand (participates in β ladder)trans-151.1143.2175.4175.338.6000108.6L229 I251 V252 A253 V289 L300 Q302L229-W267 HydrophobicContact CD1-CE3 3.99Å; L229-W267 HydrophobicContact CD1-CZ3 4Å; I251-W267 HydrophobicContact CD1-CH2 3.83Å; I251-W267 HydrophobicContact CD1-CZ2 3.97Å; I251-W267 HydrophobicContact CD1-CZ3 4.26Å; V252-W267 WeakPolarHBondContact CA-O 3.18Å; A253-W267 HydrophobicContact CB-CB 3.93Å; A253-W267 HydrophobicContact CB-CE3 4.39Å; A253-W267 PolarHBondContact N-O 2.87Å; W267-V289 HydrophobicContact CH2-CG1 3.91Å; W267-V289 HydrophobicContact CZ3-CG1 4.18Å; W267-L300 HydrophobicContact CH2-CB 3.88Å; W267-L300 HydrophobicContact CZ2-CB 4.08Å; W267-Q302 HydrophobicContact CB-CG 4.15Å; W267-Q302 HydrophobicContact CD2-CB 4.07Å; W267-Q302 HydrophobicContact CD2-CG 4.34Å; W267-Q302 HydrophobicContact CG-CB 4.15Å; W267-Q302 HydrophobicContact CG-CG 3.87Å
268F91.3Very high91.7Very high70 Ų7063.9 Ų63.931%0.30731%0.31SS..EExtended strand (participates in β ladder)trans-148.8143-177178-120.6000109Y232 C250 I251 V252 V265 E270Y232-F268 WeakPolarHBondContact OH-CE2 3.46Å; C250-F268 HydrophobicContact CB-CE2 4.16Å; I251-F268 WeakPolarHBondContact O-CA 3.44Å; I251-F268 VanDerWaalsContact O-CD2 3.27Å; I251-F268 WeakPolarHBondContact O-CD2 3.36Å; V252-F268 HydrophobicContact CB-CD2 4.06Å; V252-F268 HydrophobicContact CG2-CD2 4.24Å; V265-F268 HydrophobicContact CG1-CB 4.39Å; F268-E270 HydrophobicContact CD1-CG 4.3Å; F268-E270 HydrophobicContact CE1-CG 3.35Å; F268-E270 HydrophobicContact CE2-CG 4.24Å; F268-E270 HydrophobicContact CZ-CG 3.32Å; F268-E270 WeakPolarHBondContact CZ-OE1 3.43Å
269Q91.6Very high92Very high80 Ų8062.5 Ų62.537%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-149127.4177.4175.66660.900110.1C250 I251 L272C250-Q269 VanDerWaalsContact CA-O 3.3Å; C250-Q269 WeakPolarHBondContact CA-O 3.33Å; I251-Q269 HydrophobicContact CD1-CB 4.21Å; I251-Q269 HydrophobicContact CG1-CB 3.75Å; I251-Q269 PolarHBondContact N-O 3.23Å; I251-Q269 PolarHBondContact O-N 3.48Å; Q269-L272 HydrophobicContact CG-CD2 4.12Å
270E91.8Very high92.4Very high108 Ų10854.9 Ų54.951%0.50527%0.268SS..EExtended strand (participates in β ladder)trans-102.5176.5177.6-59.3-168.8136.300112.2F268 L272F268-E270 HydrophobicContact CD1-CG 4.3Å; F268-E270 HydrophobicContact CE1-CG 3.35Å; F268-E270 HydrophobicContact CE2-CG 4.24Å; F268-E270 HydrophobicContact CZ-CG 3.32Å; F268-E270 WeakPolarHBondContact CZ-OE1 3.43Å; E270-L272 PolarHBondContact O-N 3.47Å
271S92.1Very high92.6Very high70 Ų7047.6 Ų47.649%0.4924%0.237SC..EExtended strand (participates in β ladder)trans61.437.2172.1-54.10000114.4D247 F321D247-S271 WeakPolarHBondContact O-CA 3.37Å; S271-F321 WeakPolarHBondContact O-CD2 3.43Å
272L94.5Very high92.8Very high0 Ų041.8 Ų41.80%022%0.215CC..EExtended strand (participates in β ladder)trans-82.5150.7170.1-58.4178.3000110.5L231 D247 C249 I251 Q269 E270 F274 L298 L300 F321L231-L272 HydrophobicContact CD1-CD1 4.44Å; D247-L272 CarbonylContact C-O 3.57Å; D247-L272 WeakPolarHBondContact CA-O 3.41Å; C249-L272 HydrophobicContact CB-CB 3.94Å; C249-L272 PolarHBondContact N-O 2.84Å; C249-L272 WeakPolarHBondContact O-CB 3.46Å; C249-L272 PolarHBondContact O-N 2.78Å; I251-L272 HydrophobicContact CB-CD1 4.42Å; I251-L272 HydrophobicContact CG1-CD1 4.11Å; I251-L272 HydrophobicContact CG2-CD1 3.8Å; Q269-L272 HydrophobicContact CG-CD2 4.12Å; E270-L272 PolarHBondContact O-N 3.47Å; L272-F274 PolarHBondContact O-N 2.81Å; L272-L298 HydrophobicContact CD2-CD1 4.28Å; L272-L300 HydrophobicContact CD1-CD1 4.34Å; L272-L300 HydrophobicContact CD2-CD1 4.05Å; L272-F321 HydrophobicContact CD2-CD2 4.27Å; L272-F321 HydrophobicContact CD2-CE2 3.67Å; L272-F321 HydrophobicContact CD2-CZ 4.3Å
273P94.7Very high92.9Very high0 Ų039.7 Ų39.70%020%0.203CC..  trans-47.7138.4179-27.633.5000113.5C249 D275 C276 L298 T319 F321 M323C249-P273 WeakPolarHBondContact CB-O 3.44Å; C249-P273 PolarHBondContact SG-O 2.9Å; C249-P273 VanDerWaalsContact SG-O 3.32Å; P273-D275 VanDerWaalsContact CB-OD1 3.29Å; P273-D275 WeakPolarHBondContact CB-OD1 3.48Å; P273-D275 PolarHBondContact O-N 3.3Å; P273-D275 VanDerWaalsContact O-N 3.09Å; P273-C276 WeakPolarHBondContact O-CB 3.34Å; P273-C276 PolarHBondContact O-N 2.98Å; P273-C276 VanDerWaalsContact O-N 3.16Å; P273-C276 PolarHBondContact O-SG 3.32Å; P273-L298 HydrophobicContact CG-CD1 4.13Å; P273-T319 HydrophobicContact CB-CG2 4.37Å; P273-T319 HydrophobicContact CG-CG2 4.04Å; P273-F321 HydrophobicContact CG-CB 4.24Å; P273-M323 HydrophobicContact CG-CE 4.25Å
274F93.9Very high92.7Very high35 Ų3544.2 Ų44.215%0.15422%0.224CC..THydrogen-bonded Turntrans-62.1-18.7-176.184.3-75.8000113.8T237 V242 T248 L272T237-F274 HydrophobicContact CG2-CB 3.68Å; T237-F274 HydrophobicContact CG2-CD2 3.72Å; T237-F274 HydrophobicContact CG2-CG 4.03Å; V242-F274 HydrophobicContact CG1-CE1 4.44Å; V242-F274 HydrophobicContact CG2-CD1 3.89Å; V242-F274 HydrophobicContact CG2-CD2 3.95Å; V242-F274 HydrophobicContact CG2-CE1 3.57Å; V242-F274 HydrophobicContact CG2-CE2 3.61Å; V242-F274 HydrophobicContact CG2-CG 4.09Å; V242-F274 HydrophobicContact CG2-CZ 3.41Å; V242-F274 VanDerWaalsContact CG2-CZ 3.41Å; T248-F274 WeakPolarHBondContact OG1-CB 3.39Å; L272-F274 PolarHBondContact O-N 2.81Å
275D93.6Very high92.5Very high19 Ų1945.3 Ų45.310%0.10223%0.23CC..THydrogen-bonded Turntrans-98.89.4-177.864.2-44.2000113.9P273 R277 A293 A294 N295P273-D275 VanDerWaalsContact CB-OD1 3.29Å; P273-D275 WeakPolarHBondContact CB-OD1 3.48Å; P273-D275 PolarHBondContact O-N 3.3Å; P273-D275 VanDerWaalsContact O-N 3.09Å; D275-R277 PolarHBondContact O-N 3.05Å; D275-A293 VanDerWaalsContact O-CA 3.25Å; D275-A293 WeakPolarHBondContact O-CA 3.47Å; D275-A294 HydrophobicContact CB-CB 4.01Å; D275-A294 PolarHBondContact O-N 3.3Å; D275-A294 PolarHBondContact OD2-N 3.01Å; D275-N295 PolarHBondContact OD2-N 2.92Å; D275-N295 PolarHBondContact OD2-ND2 2.87Å
276C94.6Very high92.3Very high5 Ų543.1 Ų43.13%0.03422%0.217CC..EExtended strand (participates in β ladder)trans-53133.1166.3-75.50000111.2L215 L231 C249 P273 V291L215-C276 WeakPolarHBondContact CD1-O 3.43Å; L231-C276 HydrophobicContact CD1-CB 4.11Å; L231-C276 HydrophobicContact CD2-CB 4.15Å; C249-C276 HydrophobicContact CB-CB 4.09Å; P273-C276 WeakPolarHBondContact O-CB 3.34Å; P273-C276 PolarHBondContact O-N 2.98Å; P273-C276 VanDerWaalsContact O-N 3.16Å; P273-C276 PolarHBondContact O-SG 3.32Å; C276-V291 HydrophobicContact CB-CG1 4.19Å
277R91.3Very high92.1Very high145 Ų14540.8 Ų40.855%0.54721%0.208SC..EExtended strand (participates in β ladder)trans-128.7-34.8-170.2-170.754.8174.7-178.6-2.4115.8D275 M292D275-R277 PolarHBondContact O-N 3.05Å; R277-M292 PolarHBondContact N-O 2.88Å
278S93.8Very high92.1Very high32 Ų3240.2 Ų40.222%0.22421%0.212CC..EExtended strand (participates in β ladder)trans-152.8158.3-177.752.20000112.7D216 M292D216-S278 VanDerWaalsContact OD2-CA 3.24Å; D216-S278 WeakPolarHBondContact OD2-CA 3.47Å; D216-S278 VanDerWaalsContact OD2-CB 3.26Å; D216-S278 WeakPolarHBondContact OD2-CB 3.16Å; S278-M292 PolarHBondContact N-O 3.05Å; S278-M292 PolarHBondContact O-N 2.9Å
279V95Very high92.2Very high5 Ų536.9 Ų36.93%0.0320%0.197CC..EExtended strand (participates in β ladder)trans-124.1130.4-178.5-75.70000112.1D216 Q218 L229 L231 V289 V291D216-V279 HydrophobicContact CB-CG2 4.16Å; D216-V279 PolarHBondContact OD2-N 3.37Å; Q218-V279 HydrophobicContact CB-CG2 3.87Å; L229-V279 HydrophobicContact CD2-CB 4.41Å; L229-V279 HydrophobicContact CD2-CG1 4.21Å; L231-V279 HydrophobicContact CB-CG1 3.83Å; L231-V279 HydrophobicContact CB-CG2 4.45Å; L231-V279 HydrophobicContact CD2-CG1 4.2Å; L231-V279 HydrophobicContact CG-CG1 4.45Å; V279-V289 HydrophobicContact CB-CG2 3.86Å; V279-V289 HydrophobicContact CG1-CG2 4.1Å; V279-V291 HydrophobicContact CG1-CG1 4.13Å; V279-V291 HydrophobicContact CG1-CG2 4.17Å
280I94.8Very high92.4Very high26 Ų2633.1 Ų33.113%0.13318%0.18CC..EExtended strand (participates in β ladder)trans-118.1114.4-178.1-56.2154.2000107.5V282 V289 V290 M292 V340 F348I280-V282 PolarHBondContact O-N 2.97Å; I280-V289 CarbonylContact O-C 3.52Å; I280-V289 WeakPolarHBondContact O-CA 3.17Å; I280-V289 WeakPolarHBondContact O-CG2 3.26Å; I280-V290 HydrophobicContact CB-CB 4.37Å; I280-V290 PolarHBondContact N-O 2.75Å; I280-V290 PolarHBondContact O-N 2.97Å; I280-M292 HydrophobicContact CD1-CG 3.63Å; I280-M292 HydrophobicContact CD1-SD 4.09Å; I280-V340 HydrophobicContact CD1-CB 3.68Å; I280-V340 HydrophobicContact CD1-CG1 4.31Å; I280-V340 HydrophobicContact CD1-CG2 3.56Å; I280-V340 HydrophobicContact CG1-CB 4.48Å; I280-F348 HydrophobicContact CG2-CD1 4Å; I280-F348 HydrophobicContact CG2-CE1 3.78Å
281S94.2Very high92.6Very high4 Ų428 Ų283%0.02816%0.156CC..EExtended strand (participates in β ladder)trans-74.2128.417647.20000110.5Q218 F219 Y221Q218-S281 WeakPolarHBondContact CG-OG 3.19Å; Q218-S281 PolarHBondContact NE2-OG 3.29Å; Q218-S281 VanDerWaalsContact NE2-OG 3.15Å; F219-S281 WeakPolarHBondContact O-CB 3.48Å; F219-S281 PolarHBondContact O-OG 3.1Å; Y221-S281 WeakPolarHBondContact CE2-OG 3.48Å
282V93.7Very high92.7Very high0 Ų024.8 Ų24.80%013%0.133CC..PPolyproline II helixtrans-78132.7178.4-179.60000108.5Y221 I280 I286 G288 V290 Y299 F348 L362Y221-V282 WeakPolarHBondContact CD2-O 3.34Å; I280-V282 PolarHBondContact O-N 2.97Å; V282-I286 HydrophobicContact CG1-CB 3.92Å; V282-I286 HydrophobicContact CG1-CD1 4.43Å; V282-I286 HydrophobicContact CG1-CG2 4.03Å; V282-G288 PolarHBondContact N-O 3.18Å; V282-V290 HydrophobicContact CG2-CG2 3.94Å; V282-Y299 HydrophobicContact CG2-CD2 4.3Å; V282-Y299 HydrophobicContact CG2-CE2 4.02Å; V282-F348 HydrophobicContact CG1-CZ 4.34Å; V282-F348 HydrophobicContact CG2-CZ 4.1Å; V282-L362 HydrophobicContact CG1-CD1 3.98Å; V282-L362 HydrophobicContact CG2-CD1 4.22Å
283P91.7Very high92.7Very high23 Ų2324.9 Ų24.915%0.14913%0.134CC..PPolyproline II helixtrans-57.3163.2176.9-26.636.1000113.8I286 G287 T342 E345P283-I286 PolarHBondContact O-N 2.98Å; P283-G287 PolarHBondContact O-N 2.76Å; P283-T342 HydrophobicContact CG-CG2 4.07Å; P283-E345 HydrophobicContact CB-CG 4.27Å
284Q86.8Confident92.6Very high102 Ų10225.8 Ų25.848%0.47714%0.142SC..THydrogen-bonded Turntrans-65.7152.3159.3-79.5179.7-72.400109.8G222G222-Q284 VanDerWaalsContact CA-CD 3.47Å
285P87.4Confident92.5Very high87 Ų8725.2 Ų25.257%0.56514%0.14SC*.THydrogen-bonded Turncis-81-195.133.1-33.9000114.1E345P285-E345 VanDerWaalsContact CD-CD 3.44Å; P285-E345 WeakPolarHBondContact CD-OE2 3.39Å
286I88.1Confident92.5Very high3 Ų324.3 Ų24.32%0.01514%0.135CC..THydrogen-bonded Turntrans-63.6-54.2-170.9-53.1162.4000111.3V282 P283 K301 E345 T346 L364 V371V282-I286 HydrophobicContact CG1-CB 3.92Å; V282-I286 HydrophobicContact CG1-CD1 4.43Å; V282-I286 HydrophobicContact CG1-CG2 4.03Å; P283-I286 PolarHBondContact O-N 2.98Å; I286-K301 WeakPolarHBondContact O-CE 3.44Å; I286-K301 PolarHBondContact O-NZ 3.49Å; I286-E345 HydrophobicContact CD1-CB 4.05Å; I286-E345 VanDerWaalsContact CD1-O 3.29Å; I286-E345 WeakPolarHBondContact CD1-O 3.28Å; I286-T346 HydrophobicContact CD1-CG2 3.67Å; I286-L364 HydrophobicContact CD1-CD1 3.78Å; I286-L364 HydrophobicContact CD1-CD2 4.16Å; I286-L364 HydrophobicContact CD1-CG 4.36Å; I286-L364 HydrophobicContact CG1-CD1 3.91Å; I286-L364 HydrophobicContact CG1-CD2 4.03Å; I286-L364 HydrophobicContact CG2-CD2 3.93Å; I286-V371 HydrophobicContact CG2-CG2 4.08Å
287G88.2Confident92.5Very high12 Ų1224.1 Ų24.112%0.12413%0.134CC..  trans64.2175.6-177.500000115.2P283 Y299P283-G287 PolarHBondContact O-N 2.76Å; G287-Y299 PolarHBondContact O-OH 2.92Å
288G90.4Very high92.6Very high19 Ų1917.2 Ų17.220%0.19611%0.108CC..  trans101.3-160.4-173.500000112.4V282 L300V282-G288 PolarHBondContact N-O 3.18Å; G288-L300 WeakPolarHBondContact CA-O 3.34Å
289V94.6Very high92.6Very high0 Ų015.8 Ų15.80%010%0.097CC..EExtended strand (participates in β ladder)trans-141.2139.9-178.263.70000111L229 W267 V279 I280 V291 L300L229-V289 HydrophobicContact CD2-CB 3.97Å; L229-V289 HydrophobicContact CD2-CG1 3.84Å; L229-V289 HydrophobicContact CD2-CG2 3.68Å; W267-V289 HydrophobicContact CH2-CG1 3.91Å; W267-V289 HydrophobicContact CZ3-CG1 4.18Å; V279-V289 HydrophobicContact CB-CG2 3.86Å; V279-V289 HydrophobicContact CG1-CG2 4.1Å; I280-V289 CarbonylContact O-C 3.52Å; I280-V289 WeakPolarHBondContact O-CA 3.17Å; I280-V289 WeakPolarHBondContact O-CG2 3.26Å; V289-V291 HydrophobicContact CG1-CG2 4.29Å; V289-V291 HydrophobicContact CG2-CG2 4.42Å; V289-L300 HydrophobicContact CG1-CB 3.89Å; V289-L300 PolarHBondContact N-O 2.72Å; V289-L300 PolarHBondContact O-N 3.09Å
290V94.9Very high92.5Very high1 Ų115.8 Ų15.81%0.00610%0.097CC..EExtended strand (participates in β ladder)trans-96.2122.7162179.10000108.1I280 V282 M292 I297 L298 Y299 L360 L362I280-V290 HydrophobicContact CB-CB 4.37Å; I280-V290 PolarHBondContact N-O 2.75Å; I280-V290 PolarHBondContact O-N 2.97Å; V282-V290 HydrophobicContact CG2-CG2 3.94Å; V290-M292 HydrophobicContact CG1-SD 3.76Å; V290-I297 HydrophobicContact CG1-CG2 3.69Å; V290-L298 CarbonylContact C-O 3.53Å; V290-L298 VanDerWaalsContact CA-O 3.27Å; V290-L298 WeakPolarHBondContact CA-O 3.1Å; V290-Y299 HydrophobicContact CG2-CD2 4.21Å; V290-L360 HydrophobicContact CG1-CD2 4.05Å; V290-L362 HydrophobicContact CG2-CD2 4.3Å
291V95.5Very high92.3Very high0 Ų017.2 Ų17.20%010%0.103CC..EExtended strand (participates in β ladder)trans-101.3124173.8-165.90000108.2L231 C276 V279 V289 L298 L300L231-V291 HydrophobicContact CD1-CG1 4.33Å; L231-V291 HydrophobicContact CD2-CG1 4.39Å; C276-V291 HydrophobicContact CB-CG1 4.19Å; V279-V291 HydrophobicContact CG1-CG1 4.13Å; V279-V291 HydrophobicContact CG1-CG2 4.17Å; V289-V291 HydrophobicContact CG1-CG2 4.29Å; V289-V291 HydrophobicContact CG2-CG2 4.42Å; V291-L298 HydrophobicContact CB-CB 4.24Å; V291-L298 PolarHBondContact N-O 2.85Å; V291-L298 PolarHBondContact O-N 2.92Å; V291-L300 HydrophobicContact CG2-CD1 3.68Å; V291-L300 HydrophobicContact CG2-CG 4.33Å
292M95Very high91.8Very high3 Ų321.6 Ų21.62%0.01512%0.123CC..EExtended strand (participates in β ladder)trans-97.4120.7179.5-56.3-62.8-85.400109.1R277 S278 I280 V290 I297 I335 V340 I350R277-M292 PolarHBondContact N-O 2.88Å; S278-M292 PolarHBondContact N-O 3.05Å; S278-M292 PolarHBondContact O-N 2.9Å; I280-M292 HydrophobicContact CD1-CG 3.63Å; I280-M292 HydrophobicContact CD1-SD 4.09Å; V290-M292 HydrophobicContact CG1-SD 3.76Å; M292-I297 HydrophobicContact CE-CD1 4.06Å; M292-I297 HydrophobicContact CE-CG1 4.17Å; M292-I297 HydrophobicContact SD-CD1 4.36Å; M292-I297 HydrophobicContact SD-CG1 4.05Å; M292-I297 HydrophobicContact SD-CG2 4Å; M292-I335 HydrophobicContact CB-CD1 4.44Å; M292-I335 HydrophobicContact CE-CD1 3.54Å; M292-I335 HydrophobicContact SD-CD1 4.37Å; M292-V340 HydrophobicContact CE-CG2 4Å; M292-I350 HydrophobicContact CE-CD1 3.52Å; M292-I350 HydrophobicContact CE-CG1 3.94Å; M292-I350 HydrophobicContact CE-CG2 4.23Å
293A94Very high91.2Very high2 Ų227.4 Ų27.42%0.01716%0.158CC..EExtended strand (participates in β ladder)trans-110.9157.9169.200000110.2D275 N295 S296 I335D275-A293 VanDerWaalsContact O-CA 3.25Å; D275-A293 WeakPolarHBondContact O-CA 3.47Å; A293-N295 PolarHBondContact O-N 2.88Å; A293-N295 VanDerWaalsContact O-N 3.12Å; A293-S296 WeakPolarHBondContact CA-O 3.43Å; A293-S296 WeakPolarHBondContact CB-O 3.39Å; A293-S296 PolarHBondContact N-O 2.69Å; A293-S296 PolarHBondContact O-N 3.28Å; A293-S296 VanDerWaalsContact O-O 3.11Å; A293-I335 VanDerWaalsContact O-CD1 3.28Å; A293-I335 WeakPolarHBondContact O-CD1 3.41Å; A293-I335 WeakPolarHBondContact O-CG1 3.42Å
294A92.7Very high90.7Very high19 Ų1928.7 Ų28.716%0.15716%0.163CC..SBendtrans-55-35.4-176.700000113.1D275 S334 I335 D336D275-A294 HydrophobicContact CB-CB 4.01Å; D275-A294 PolarHBondContact O-N 3.3Å; D275-A294 PolarHBondContact OD2-N 3.01Å; A294-S334 WeakPolarHBondContact O-CA 3.44Å; A294-S334 PolarHBondContact O-OG 2.92Å; A294-I335 PolarHBondContact O-N 2.83Å; A294-D336 HydrophobicContact CB-CB 3.96Å
295N93.1Very high90.3Very high22 Ų2228.1 Ų28.112%0.11817%0.169CC..SBendtrans-113.9-0.9-175.9-54.4-81.6000114.7D275 A293 L311 N312 A315D275-N295 PolarHBondContact OD2-N 2.92Å; D275-N295 PolarHBondContact OD2-ND2 2.87Å; A293-N295 PolarHBondContact O-N 2.88Å; A293-N295 VanDerWaalsContact O-N 3.12Å; N295-L311 WeakPolarHBondContact O-CB 3.39Å; N295-L311 PolarHBondContact O-N 3Å; N295-N312 PolarHBondContact OD1-ND2 2.95Å; N295-N312 PolarHBondContact OD1-OD1 2.81Å; N295-A315 HydrophobicContact CB-CB 3.92Å; N295-A315 WeakPolarHBondContact O-CB 3.39Å
296S92.7Very high90.2Very high1 Ų125.4 Ų25.41%0.00715%0.152CC..EExtended strand (participates in β ladder)trans-156.6154.1-176.757.50000113.8A293 L309 M323A293-S296 WeakPolarHBondContact CA-O 3.43Å; A293-S296 WeakPolarHBondContact CB-O 3.39Å; A293-S296 PolarHBondContact N-O 2.69Å; A293-S296 PolarHBondContact O-N 3.28Å; A293-S296 VanDerWaalsContact O-O 3.11Å; S296-L309 CarbonylContact C-O 3.48Å; S296-L309 VanDerWaalsContact CA-O 3.25Å; S296-L309 WeakPolarHBondContact CA-O 3.45Å; S296-L309 VanDerWaalsContact CB-O 3.31Å; S296-L309 WeakPolarHBondContact CB-O 3.47Å; S296-M323 VanDerWaalsContact CB-CE 3.5Å; S296-M323 WeakPolarHBondContact OG-CE 3.42Å
297I94.3Very high90.2Very high0 Ų025.8 Ų25.80%015%0.154CC..EExtended strand (participates in β ladder)trans-111.9132.9173.6-58.8177.3000108.8V290 M292 L309 L311 I335 I350 L360 L374 F376V290-I297 HydrophobicContact CG1-CG2 3.69Å; M292-I297 HydrophobicContact CE-CD1 4.06Å; M292-I297 HydrophobicContact CE-CG1 4.17Å; M292-I297 HydrophobicContact SD-CD1 4.36Å; M292-I297 HydrophobicContact SD-CG1 4.05Å; M292-I297 HydrophobicContact SD-CG2 4Å; I297-L309 PolarHBondContact N-O 2.8Å; I297-L309 PolarHBondContact O-N 2.82Å; I297-L311 HydrophobicContact CD1-CD1 4.33Å; I297-L311 HydrophobicContact CD1-CD2 4.31Å; I297-L311 HydrophobicContact CG1-CD1 4.06Å; I297-L311 HydrophobicContact CG1-CD2 4.49Å; I297-L311 HydrophobicContact CG1-CG 4.49Å; I297-I335 HydrophobicContact CD1-CD1 4.23Å; I297-I335 HydrophobicContact CG1-CD1 3.76Å; I297-I350 HydrophobicContact CD1-CD1 4.07Å; I297-L360 HydrophobicContact CD1-CD1 4.36Å; I297-L360 HydrophobicContact CD1-CD2 4.48Å; I297-L360 HydrophobicContact CG2-CD1 4.38Å; I297-L360 HydrophobicContact CG2-CD2 3.92Å; I297-L374 HydrophobicContact CG2-CD1 4.33Å; I297-F376 HydrophobicContact CD1-CD2 4.04Å; I297-F376 HydrophobicContact CD1-CE2 4.13Å
298L94.1Very high90.2Very high0 Ų025.2 Ų25.20%015%0.149CC..EExtended strand (participates in β ladder)trans-121.7135.9-180-54.7176.9000110.5L272 P273 V290 V291 C307 F321 M323L272-L298 HydrophobicContact CD2-CD1 4.28Å; P273-L298 HydrophobicContact CG-CD1 4.13Å; V290-L298 CarbonylContact C-O 3.53Å; V290-L298 VanDerWaalsContact CA-O 3.27Å; V290-L298 WeakPolarHBondContact CA-O 3.1Å; V291-L298 HydrophobicContact CB-CB 4.24Å; V291-L298 PolarHBondContact N-O 2.85Å; V291-L298 PolarHBondContact O-N 2.92Å; L298-C307 CarbonylContact C-O 3.4Å; L298-C307 WeakPolarHBondContact CA-O 3.29Å; L298-F321 HydrophobicContact CD1-CE1 4.36Å; L298-F321 HydrophobicContact CD1-CZ 4.46Å; L298-F321 HydrophobicContact CD2-CD1 3.78Å; L298-F321 HydrophobicContact CD2-CE1 3.59Å; L298-F321 HydrophobicContact CD2-CZ 4.4Å; L298-M323 HydrophobicContact CD2-CE 3.91Å; L298-M323 HydrophobicContact CD2-SD 4.14Å
299Y94.2Very high90.3Very high2 Ų224.5 Ų24.51%0.00814%0.14CC..EExtended strand (participates in β ladder)trans-109.9129.5165.4171.1-99.6000110.2V282 G287 V290 K301 C307 V371V282-Y299 HydrophobicContact CG2-CD2 4.3Å; V282-Y299 HydrophobicContact CG2-CE2 4.02Å; G287-Y299 PolarHBondContact O-OH 2.92Å; V290-Y299 HydrophobicContact CG2-CD2 4.21Å; Y299-K301 HydrophobicContact CE1-CB 4.28Å; Y299-K301 VanDerWaalsContact OH-CD 3.28Å; Y299-K301 WeakPolarHBondContact OH-CD 3.43Å; Y299-C307 PolarHBondContact N-O 3.49Å; Y299-C307 PolarHBondContact O-N 2.91Å; Y299-V371 HydrophobicContact CD1-CB 3.79Å; Y299-V371 HydrophobicContact CD1-CG1 4.2Å; Y299-V371 HydrophobicContact CD1-CG2 4.11Å; Y299-V371 HydrophobicContact CE1-CB 3.62Å; Y299-V371 HydrophobicContact CE1-CG2 3.64Å; Y299-V371 HydrophobicContact CE2-CG2 4.09Å; Y299-V371 HydrophobicContact CG-CB 4.45Å
300L93Very high90.2Very high6 Ų624.5 Ų24.53%0.03114%0.14CC..EExtended strand (participates in β ladder)trans-132135.8-176.1-53.8175.4000110.4I251 W267 L272 G288 V289 V291 F321I251-L300 HydrophobicContact CD1-CD1 3.62Å; W267-L300 HydrophobicContact CH2-CB 3.88Å; W267-L300 HydrophobicContact CZ2-CB 4.08Å; L272-L300 HydrophobicContact CD1-CD1 4.34Å; L272-L300 HydrophobicContact CD2-CD1 4.05Å; G288-L300 WeakPolarHBondContact CA-O 3.34Å; V289-L300 HydrophobicContact CG1-CB 3.89Å; V289-L300 PolarHBondContact N-O 2.72Å; V289-L300 PolarHBondContact O-N 3.09Å; V291-L300 HydrophobicContact CG2-CD1 3.68Å; V291-L300 HydrophobicContact CG2-CG 4.33Å; L300-F321 HydrophobicContact CD2-CZ 4.24Å
301K89Confident90Very high56 Ų5624.5 Ų24.524%0.24314%0.14CC..  trans-143.7139.4172.9-179.8166.8168.1-177.70108.4I286 Y299 T303 L304I286-K301 WeakPolarHBondContact O-CE 3.44Å; I286-K301 PolarHBondContact O-NZ 3.49Å; Y299-K301 HydrophobicContact CE1-CB 4.28Å; Y299-K301 VanDerWaalsContact OH-CD 3.28Å; Y299-K301 WeakPolarHBondContact OH-CD 3.43Å; K301-T303 PolarHBondContact O-N 2.98Å; K301-L304 HydrophobicContact CB-CB 4.35Å; K301-L304 HydrophobicContact CB-CD1 4.32Å; K301-L304 HydrophobicContact CB-CG 4.44Å; K301-L304 HydrophobicContact CD-CD1 3.88Å; K301-L304 HydrophobicContact CD-CG 4.39Å; K301-L304 HydrophobicContact CG-CD1 4.38Å; K301-L304 HydrophobicContact CG-CG 4.46Å; K301-L304 PolarHBondContact O-N 3.27Å
302Q85.2Confident89.8Confident96 Ų9624.5 Ų24.545%0.44914%0.14SC..THydrogen-bonded Turntrans-50.4-28.9-164.9-177.5174.710.300116I266 W267I266-Q302 PolarHBondContact O-NE2 3.09Å; W267-Q302 HydrophobicContact CB-CG 4.15Å; W267-Q302 HydrophobicContact CD2-CB 4.07Å; W267-Q302 HydrophobicContact CD2-CG 4.34Å; W267-Q302 HydrophobicContact CG-CB 4.15Å; W267-Q302 HydrophobicContact CG-CG 3.87Å
303T81.4Confident89.5Confident121 Ų12125 Ų2574%0.74214%0.144SC*.THydrogen-bonded Turntrans-116.92.1-175.253.50000114.5K301K301-T303 PolarHBondContact O-N 2.98Å
304L81Confident89.3Confident50 Ų5029.5 Ų29.526%0.26216%0.161SC..SBendtrans-111.5153.4-178-64.6-176000111.4K301 T370K301-L304 HydrophobicContact CB-CB 4.35Å; K301-L304 HydrophobicContact CB-CD1 4.32Å; K301-L304 HydrophobicContact CB-CG 4.44Å; K301-L304 HydrophobicContact CD-CD1 3.88Å; K301-L304 HydrophobicContact CD-CG 4.39Å; K301-L304 HydrophobicContact CG-CD1 4.38Å; K301-L304 HydrophobicContact CG-CG 4.46Å; K301-L304 PolarHBondContact O-N 3.27Å; L304-T370 HydrophobicContact CD1-CG2 3.75Å; L304-T370 HydrophobicContact CD2-CG2 3.84Å; L304-T370 HydrophobicContact CG-CG2 4.47Å
305P77.8Confident89.1Confident91 Ų9128.6 Ų28.659%0.59115%0.154SC*.  trans-59.5144.4167.427.6-35.3000110.7
306S85.9Confident88.7Confident30 Ų3032.9 Ų32.921%0.2117%0.173CC..  trans-65.6140.6174.650.80000111.9F321S306-F321 WeakPolarHBondContact OG-CZ 3.49Å
307C86.6Confident88.4Confident10 Ų1038 Ų387%0.06820%0.199CC..EExtended strand (participates in β ladder)trans-110.9133.3171.4-164.50000109.1L298 Y299 Q325 T372L298-C307 CarbonylContact C-O 3.4Å; L298-C307 WeakPolarHBondContact CA-O 3.29Å; Y299-C307 PolarHBondContact N-O 3.49Å; Y299-C307 PolarHBondContact O-N 2.91Å; C307-Q325 PolarHBondContact SG-NE2 2.65Å; C307-T372 PolarHBondContact SG-O 3.47Å
308G89.6Confident88.1Confident0 Ų038.5 Ų38.50%020%0.203CC..EExtended strand (participates in β ladder)trans-141.1125.7-172.400000112.7R324G308-R324 PolarHBondContact O-N 3.41Å
309L91.2Very high87.9Confident5 Ų539 Ų393%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-111.9116.4-178.3174.771.2000109.7S296 I297 L311 Q325 L374 F376S296-L309 CarbonylContact C-O 3.48Å; S296-L309 VanDerWaalsContact CA-O 3.25Å; S296-L309 WeakPolarHBondContact CA-O 3.45Å; S296-L309 VanDerWaalsContact CB-O 3.31Å; S296-L309 WeakPolarHBondContact CB-O 3.47Å; I297-L309 PolarHBondContact N-O 2.8Å; I297-L309 PolarHBondContact O-N 2.82Å; L309-L311 HydrophobicContact CD2-CD2 4.09Å; L309-L311 HydrophobicContact CG-CD2 4.33Å; L309-Q325 HydrophobicContact CD1-CB 4.07Å; L309-L374 HydrophobicContact CB-CB 4.26Å; L309-L374 HydrophobicContact CB-CD1 4.12Å; L309-L374 HydrophobicContact CD2-CB 4.29Å; L309-F376 HydrophobicContact CD2-CB 3.66Å; L309-F376 HydrophobicContact CD2-CG 4.36Å
310P92.5Very high87.7Confident0 Ų044.3 Ų44.30%023%0.234CC..EExtended strand (participates in β ladder)trans-81.1134.2173.232.7-30.5000110.5A315 Q316 M323 Q325 V327 P328P310-A315 HydrophobicContact CB-CB 4.01Å; P310-Q316 HydrophobicContact CB-CG 4.43Å; P310-M323 HydrophobicContact CB-CB 4.48Å; P310-M323 HydrophobicContact CB-CG 4.34Å; P310-M323 HydrophobicContact CG-CB 4.24Å; P310-Q325 WeakPolarHBondContact CD-O 3.39Å; P310-Q325 WeakPolarHBondContact CG-O 3.34Å; P310-V327 HydrophobicContact CB-CG2 4.49Å; P310-V327 HydrophobicContact CG-CG2 4.34Å; P310-V327 WeakPolarHBondContact O-CA 3.23Å; P310-P328 VanDerWaalsContact O-CD 3.29Å; P310-P328 WeakPolarHBondContact O-CD 3.17Å
311L91.7Very high87.5Confident0 Ų044.9 Ų44.90%024%0.237CC..  trans-97.9-12.7-178.8-60.7175.9000113.7N295 I297 L309 P328 P332 L333 I335 F376N295-L311 WeakPolarHBondContact O-CB 3.39Å; N295-L311 PolarHBondContact O-N 3Å; I297-L311 HydrophobicContact CD1-CD1 4.33Å; I297-L311 HydrophobicContact CD1-CD2 4.31Å; I297-L311 HydrophobicContact CG1-CD1 4.06Å; I297-L311 HydrophobicContact CG1-CD2 4.49Å; I297-L311 HydrophobicContact CG1-CG 4.49Å; L309-L311 HydrophobicContact CD2-CD2 4.09Å; L309-L311 HydrophobicContact CG-CD2 4.33Å; L311-P328 HydrophobicContact CD2-CG 4.17Å; L311-P332 WeakPolarHBondContact O-CA 3.31Å; L311-L333 WeakPolarHBondContact CB-O 3.42Å; L311-L333 PolarHBondContact O-N 2.88Å; L311-I335 HydrophobicContact CD1-CB 4.27Å; L311-I335 HydrophobicContact CD1-CD1 3.58Å; L311-I335 HydrophobicContact CD1-CG1 3.6Å; L311-I335 HydrophobicContact CD1-CG2 3.72Å; L311-F376 HydrophobicContact CD2-CD1 3.83Å; L311-F376 HydrophobicContact CD2-CE1 3.92Å; L311-F376 HydrophobicContact CD2-CG 4.44Å
312N91.8Very high87.4Confident0 Ų045.3 Ų45.30%025%0.245CC..SBendtrans-162.1175.3178.264.655.9000110.9N295 Y314 A315 P332 L333 V1378N295-N312 PolarHBondContact OD1-ND2 2.95Å; N295-N312 PolarHBondContact OD1-OD1 2.81Å; N312-Y314 VanDerWaalsContact C-N 3.28Å; N312-Y314 PolarHBondContact O-N 3.32Å; N312-Y314 WeakPolarHBondContact OD1-CA 3.09Å; N312-Y314 WeakPolarHBondContact OD1-CB 3.4Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.3Å; N312-Y314 PolarHBondContact OD1-N 2.72Å; N312-A315 PolarHBondContact O-N 2.7Å; N312-A315 PolarHBondContact OD1-N 2.91Å; N312-P332 HydrophobicContact CB-CB 4.1Å; N312-L333 PolarHBondContact ND2-O 2.93Å; N312-V1378 HydrophobicContact CB-CG2 4.21Å
313C88.1Confident87.3Confident13 Ų1342.6 Ų42.69%0.08823%0.233CC..THydrogen-bonded Turntrans-65.9-22.2-179.466.40000114.8A315 Q316 I317 P1374 T1376C313-A315 VanDerWaalsContact C-N 3.35Å; C313-A315 PolarHBondContact O-N 2.89Å; C313-Q316 PolarHBondContact O-N 3Å; C313-I317 WeakPolarHBondContact O-CD1 3.47Å; C313-I317 WeakPolarHBondContact O-CG1 3.33Å; C313-P1374 HydrophobicContact CB-CG 4.32Å; C313-T1376 PolarHBondContact N-O 2.88Å; C313-T1376 PolarHBondContact SG-O 2.88Å; C313-T1376 VanDerWaalsContact SG-O 3.38Å
314Y89.2Confident87.1Confident97 Ų9744.9 Ų44.938%0.3823%0.228SC..THydrogen-bonded Turntrans-67.4-35.9-179-58.4-65.7000111.8N312 Q316 I317 S318 C1377 V1378N312-Y314 VanDerWaalsContact C-N 3.28Å; N312-Y314 PolarHBondContact O-N 3.32Å; N312-Y314 WeakPolarHBondContact OD1-CA 3.09Å; N312-Y314 WeakPolarHBondContact OD1-CB 3.4Å; N312-Y314 WeakPolarHBondContact OD1-CD2 3.3Å; N312-Y314 PolarHBondContact OD1-N 2.72Å; Y314-Q316 VanDerWaalsContact C-N 3.34Å; Y314-Q316 PolarHBondContact O-N 3.19Å; Y314-I317 PolarHBondContact O-N 2.89Å; Y314-S318 VanDerWaalsContact O-CB 3.31Å; Y314-S318 WeakPolarHBondContact O-CB 3.16Å; Y314-S318 PolarHBondContact O-N 3.13Å; Y314-S318 PolarHBondContact O-OG 2.94Å; Y314-S318 VanDerWaalsContact O-OG 3.05Å; Y314-C1377 VanDerWaalsContact CZ-SG 3.6Å; Y314-C1377 PolarHBondContact OH-SG 2.84Å; Y314-V1378 HydrophobicContact CE2-CB 4.33Å; Y314-V1378 PolarHBondContact OH-O 2.89Å; Y314-V1378 VanDerWaalsContact OH-O 3.06Å
315A89.1Confident87.2Confident1 Ų144.5 Ų44.51%0.00823%0.225CC..Hα-helixtrans-56.3-46.6176.100000112.1N295 P310 N312 C313 I317 S318 T319N295-A315 HydrophobicContact CB-CB 3.92Å; N295-A315 WeakPolarHBondContact O-CB 3.39Å; P310-A315 HydrophobicContact CB-CB 4.01Å; N312-A315 PolarHBondContact O-N 2.7Å; N312-A315 PolarHBondContact OD1-N 2.91Å; C313-A315 VanDerWaalsContact C-N 3.35Å; C313-A315 PolarHBondContact O-N 2.89Å; A315-I317 PolarHBondContact O-N 2.77Å; A315-I317 VanDerWaalsContact O-N 3.14Å; A315-S318 PolarHBondContact O-N 3.24Å; A315-T319 WeakPolarHBondContact O-CG2 3.38Å; A315-T319 PolarHBondContact O-N 3.42Å
316Q83.7Confident87.5Confident111 Ų11146.7 Ų46.752%0.51923%0.232SC..Hα-helixtrans-65.6-15.1178.6-65.5177.3-23.400113.7P310 C313 Y314P310-Q316 HydrophobicContact CB-CG 4.43Å; C313-Q316 PolarHBondContact O-N 3Å; Y314-Q316 VanDerWaalsContact C-N 3.34Å; Y314-Q316 PolarHBondContact O-N 3.19Å
317I86.2Confident87.4Confident108 Ų10846.9 Ų46.955%0.55423%0.231SC*.Hα-helixtrans-102.9-32.6-178.4-62.5166.8000111.6R246 C313 Y314 A315R246-I317 VanDerWaalsContact CZ-O 3.32Å; R246-I317 PolarHBondContact NH1-O 2.89Å; R246-I317 PolarHBondContact NH2-O 3.24Å; C313-I317 WeakPolarHBondContact O-CD1 3.47Å; C313-I317 WeakPolarHBondContact O-CG1 3.33Å; Y314-I317 PolarHBondContact O-N 2.89Å; A315-I317 PolarHBondContact O-N 2.77Å; A315-I317 VanDerWaalsContact O-N 3.14Å
318S89.4Confident87.2Confident11 Ų1147.3 Ų47.38%0.07723%0.234CC..Hα-helixtrans-92.7-30.2-168.468.30000114.8R246 Y314 A315R246-S318 WeakPolarHBondContact CD-O 3.38Å; R246-S318 WeakPolarHBondContact CG-O 3.42Å; Y314-S318 VanDerWaalsContact O-CB 3.31Å; Y314-S318 WeakPolarHBondContact O-CB 3.16Å; Y314-S318 PolarHBondContact O-N 3.13Å; Y314-S318 PolarHBondContact O-OG 2.94Å; Y314-S318 VanDerWaalsContact O-OG 3.05Å; A315-S318 PolarHBondContact O-N 3.24Å
319T89.8Confident86.6Confident11 Ų1151.7 Ų51.77%0.06726%0.264CS..  trans-117.4149.4-179.1-178.80000112D247 P273 A315 F321 M323D247-T319 VanDerWaalsContact OD1-CA 3.23Å; D247-T319 WeakPolarHBondContact OD1-CA 3.48Å; D247-T319 WeakPolarHBondContact OD1-CB 3.39Å; D247-T319 PolarHBondContact OD1-OG1 2.87Å; P273-T319 HydrophobicContact CB-CG2 4.37Å; P273-T319 HydrophobicContact CG-CG2 4.04Å; A315-T319 WeakPolarHBondContact O-CG2 3.38Å; A315-T319 PolarHBondContact O-N 3.42Å; T319-F321 HydrophobicContact CG2-CB 4.35Å; T319-F321 VanDerWaalsContact OG1-CB 3.24Å; T319-F321 WeakPolarHBondContact OG1-CB 3.43Å; T319-F321 PolarHBondContact OG1-N 2.9Å; T319-M323 HydrophobicContact CG2-CE 3.83Å
320N89.6Confident85.9Confident113 Ų11353.1 Ų53.160%0.60427%0.274SS*.  trans-95.65.1169.3-43.9-63.2000112.2R246 D247R246-N320 PolarHBondContact NH1-OD1 3.33Å; D247-N320 WeakPolarHBondContact OD2-CB 3.12Å; D247-N320 PolarHBondContact OD2-N 3.29Å; D247-N320 PolarHBondContact OD2-ND2 3.31Å
321F89.1Confident84.7Confident18 Ų1854.3 Ų54.38%0.07929%0.287CS..SBendtrans-65.6139.7179.2-166.4-88.5000111S271 L272 P273 L298 L300 S306 T319 M323S271-F321 WeakPolarHBondContact O-CD2 3.43Å; L272-F321 HydrophobicContact CD2-CD2 4.27Å; L272-F321 HydrophobicContact CD2-CE2 3.67Å; L272-F321 HydrophobicContact CD2-CZ 4.3Å; P273-F321 HydrophobicContact CG-CB 4.24Å; L298-F321 HydrophobicContact CD1-CE1 4.36Å; L298-F321 HydrophobicContact CD1-CZ 4.46Å; L298-F321 HydrophobicContact CD2-CD1 3.78Å; L298-F321 HydrophobicContact CD2-CE1 3.59Å; L298-F321 HydrophobicContact CD2-CZ 4.4Å; L300-F321 HydrophobicContact CD2-CZ 4.24Å; S306-F321 WeakPolarHBondContact OG-CZ 3.49Å; T319-F321 HydrophobicContact CG2-CB 4.35Å; T319-F321 VanDerWaalsContact OG1-CB 3.24Å; T319-F321 WeakPolarHBondContact OG1-CB 3.43Å; T319-F321 PolarHBondContact OG1-N 2.9Å; F321-M323 HydrophobicContact CD1-CE 4.31Å; F321-M323 PolarHBondContact O-N 2.96Å
322P85.6Confident84.1Confident65 Ų6556.6 Ų56.642%0.42230%0.302SS..  trans-72.288-173.829-36.6000112.7R324P322-R324 PolarHBondContact O-N 2.86Å
323M83.4Confident83.8Confident39 Ų3957.3 Ų57.319%0.19231%0.306CS..  trans-71117.2164.8-58.5-59.2170.900108.7P273 S296 L298 P310 T319 F321P273-M323 HydrophobicContact CG-CE 4.25Å; S296-M323 VanDerWaalsContact CB-CE 3.5Å; S296-M323 WeakPolarHBondContact OG-CE 3.42Å; L298-M323 HydrophobicContact CD2-CE 3.91Å; L298-M323 HydrophobicContact CD2-SD 4.14Å; P310-M323 HydrophobicContact CB-CB 4.48Å; P310-M323 HydrophobicContact CB-CG 4.34Å; P310-M323 HydrophobicContact CG-CB 4.24Å; T319-M323 HydrophobicContact CG2-CE 3.83Å; F321-M323 HydrophobicContact CD1-CE 4.31Å; F321-M323 PolarHBondContact O-N 2.96Å
324R77.3Confident83.9Confident170 Ų17057.9 Ų57.964%0.64231%0.31SS*.  trans-108.24.7-172.4-66.7-176.8-179.4-179.9-0113.9G308 P322G308-R324 PolarHBondContact O-N 3.41Å; P322-R324 PolarHBondContact O-N 2.86Å
325Q84.7Confident83.9Confident42 Ų4253.5 Ų53.520%0.19629%0.293CS..SBendtrans-127.2155-179.9-72.8163.345.200109.1C307 L309 P310 L374C307-Q325 PolarHBondContact SG-NE2 2.65Å; L309-Q325 HydrophobicContact CD1-CB 4.07Å; P310-Q325 WeakPolarHBondContact CD-O 3.39Å; P310-Q325 WeakPolarHBondContact CG-O 3.34Å; Q325-L374 PolarHBondContact OE1-O 2.79Å
326D83.2Confident83.8Confident137 Ų13755.9 Ų55.973%0.73331%0.305SS*.PPolyproline II helixtrans-76.5171.5172.8-77.2-51000112.1
327V83.6Confident83.9Confident33 Ų3352.8 Ų52.820%0.230%0.303CS..PPolyproline II helixtrans-68.9129.6175177.60000109.4P310 T1376P310-V327 HydrophobicContact CB-CG2 4.49Å; P310-V327 HydrophobicContact CG-CG2 4.34Å; P310-V327 WeakPolarHBondContact O-CA 3.23Å; V327-T1376 HydrophobicContact CB-CG2 4.43Å; V327-T1376 HydrophobicContact CG1-CG2 4.3Å
328P83Confident84.2Confident20 Ų2048.2 Ų48.213%0.1328%0.281CS..PPolyproline II helixtrans-66.5154.7-172.925.3-33.8000113.4P310 L311 C330 G331 F376P310-P328 VanDerWaalsContact O-CD 3.29Å; P310-P328 WeakPolarHBondContact O-CD 3.17Å; L311-P328 HydrophobicContact CD2-CG 4.17Å; P328-C330 PolarHBondContact O-N 3.47Å; P328-C330 VanDerWaalsContact O-N 3.11Å; P328-G331 PolarHBondContact O-N 3.16Å; P328-F376 HydrophobicContact CG-CD1 3.98Å
329S77Confident84.4Confident91 Ų9152 Ų5264%0.63629%0.294SS*.THydrogen-bonded Turntrans-58.2-24.9-177.355.80000114.4G331S329-G331 PolarHBondContact O-N 3.13Å; S329-G331 VanDerWaalsContact O-N 3.09Å
330C76.4Confident84.6Confident35 Ų3553.6 Ų53.624%0.23630%0.303CS..THydrogen-bonded Turntrans-72.56.9179.762.40000115P328 Y358 F376 K378P328-C330 PolarHBondContact O-N 3.47Å; P328-C330 VanDerWaalsContact O-N 3.11Å; C330-Y358 HydrophobicContact CB-CD1 4.48Å; C330-Y358 HydrophobicContact CB-CE1 4.05Å; C330-F376 PolarHBondContact SG-O 3.02Å; C330-K378 HydrophobicContact CB-CB 4.31Å
331G66.8Low84.7Confident25 Ų2548.9 Ų48.926%0.25828%0.278SS..  trans98.4171.316800000114.2P328 S329 L333P328-G331 PolarHBondContact O-N 3.16Å; S329-G331 PolarHBondContact O-N 3.13Å; S329-G331 VanDerWaalsContact O-N 3.09Å; G331-L333 PolarHBondContact O-N 2.87Å
332P79.2Confident84.9Confident48 Ų4850.5 Ų50.531%0.31229%0.289SS..SBendtrans-66.4122.1174.429.6-35.3000110.8L311 N312 K1375 T1376 V1378L311-P332 WeakPolarHBondContact O-CA 3.31Å; N312-P332 HydrophobicContact CB-CB 4.1Å; P332-K1375 WeakPolarHBondContact CG-O 3.5Å; P332-T1376 VanDerWaalsContact CB-C 3.41Å; P332-T1376 WeakPolarHBondContact CB-O 3.36Å; P332-V1378 HydrophobicContact CB-CG2 4.07Å
333L86.3Confident85Confident16 Ų1648.5 Ų48.58%0.08428%0.275CS..  trans-125.9147.3-178.2-172.563.1000111.1L311 N312 G331 I335 T352 Y358 F376L311-L333 WeakPolarHBondContact CB-O 3.42Å; L311-L333 PolarHBondContact O-N 2.88Å; N312-L333 PolarHBondContact ND2-O 2.93Å; G331-L333 PolarHBondContact O-N 2.87Å; L333-I335 HydrophobicContact CD2-CG2 3.55Å; L333-I335 HydrophobicContact CG-CG2 3.92Å; L333-T352 HydrophobicContact CD1-CG2 4.28Å; L333-T352 HydrophobicContact CD2-CG2 4.09Å; L333-Y358 HydrophobicContact CD1-CE2 4.25Å; L333-Y358 HydrophobicContact CD2-CD1 4.26Å; L333-Y358 HydrophobicContact CD2-CD2 4.09Å; L333-Y358 HydrophobicContact CD2-CE1 3.89Å; L333-Y358 HydrophobicContact CD2-CE2 3.7Å; L333-Y358 HydrophobicContact CD2-CG 4.36Å; L333-F376 HydrophobicContact CD2-CE1 3.65Å; L333-F376 HydrophobicContact CD2-CZ 3.66Å
334S89.1Confident85.2Confident25 Ų2549.2 Ų49.218%0.17528%0.28CS..  trans-112.8130.4157.2-179.70000108A294 D336A294-S334 WeakPolarHBondContact O-CA 3.44Å; A294-S334 PolarHBondContact O-OG 2.92Å; S334-D336 PolarHBondContact OG-OD1 2.95Å
335I89.9Confident85.7Confident5 Ų545.9 Ų45.93%0.02627%0.271CS..  trans-103.720.1-17955.8166.1000111.9M292 A293 A294 I297 L311 L333 G337 C338 T352M292-I335 HydrophobicContact CB-CD1 4.44Å; M292-I335 HydrophobicContact CE-CD1 3.54Å; M292-I335 HydrophobicContact SD-CD1 4.37Å; A293-I335 VanDerWaalsContact O-CD1 3.28Å; A293-I335 WeakPolarHBondContact O-CD1 3.41Å; A293-I335 WeakPolarHBondContact O-CG1 3.42Å; A294-I335 PolarHBondContact O-N 2.83Å; I297-I335 HydrophobicContact CD1-CD1 4.23Å; I297-I335 HydrophobicContact CG1-CD1 3.76Å; L311-I335 HydrophobicContact CD1-CB 4.27Å; L311-I335 HydrophobicContact CD1-CD1 3.58Å; L311-I335 HydrophobicContact CD1-CG1 3.6Å; L311-I335 HydrophobicContact CD1-CG2 3.72Å; L333-I335 HydrophobicContact CD2-CG2 3.55Å; L333-I335 HydrophobicContact CG-CG2 3.92Å; I335-G337 PolarHBondContact O-N 3.19Å; I335-C338 HydrophobicContact CB-CB 4.2Å; I335-C338 WeakPolarHBondContact O-CB 3.38Å; I335-C338 PolarHBondContact O-N 3.44Å; I335-C338 VanDerWaalsContact O-N 3.08Å; I335-C338 PolarHBondContact O-SG 2.93Å; I335-T352 HydrophobicContact CG2-CG2 4.39Å
336D87.1Confident85.9Confident50 Ų5045.9 Ų45.927%0.26727%0.274SS..THydrogen-bonded Turntrans-61.9132.7175.371-67.5000111.4A294 S334 C338 R353A294-D336 HydrophobicContact CB-CB 3.96Å; S334-D336 PolarHBondContact OG-OD1 2.95Å; D336-C338 VanDerWaalsContact C-N 3.25Å; D336-C338 PolarHBondContact O-N 2.94Å; D336-R353 VanDerWaalsContact CG-NH2 3.28Å; D336-R353 WeakPolarHBondContact O-CD 3.25Å; D336-R353 WeakPolarHBondContact O-CG 3.23Å; D336-R353 PolarHBondContact O-NE 2.63Å; D336-R353 IonicContact OD1-CZ 3.99Å; D336-R353 VanDerWaalsContact OD1-CZ 3.31Å; D336-R353 IonicContact OD1-NE 2.85Å; D336-R353 PolarHBondContact OD1-NE 3.49Å; D336-R353 IonicContact OD1-NH2 2.64Å; D336-R353 PolarHBondContact OD1-NH2 3.12Å; D336-R353 IonicContact OD2-CZ 2.71Å; D336-R353 IonicContact OD2-NE 3.96Å; D336-R353 PolarHBondContact OD2-NE 2.98Å; D336-R353 IonicContact OD2-NH2 2.84Å; D336-R353 PolarHBondContact OD2-NH2 2.81Å
337G85.2Confident86.3Confident46 Ų4639.7 Ų39.747%0.47424%0.241SC..THydrogen-bonded Turntrans73.37.4-174.400000115.4I335I335-G337 PolarHBondContact O-N 3.19Å
338C91.8Very high86.8Confident13 Ų1338.1 Ų38.19%0.08823%0.232CC..  trans-60.6164.8178.672.40000113.8I335 D336 I350 G351I335-C338 HydrophobicContact CB-CB 4.2Å; I335-C338 WeakPolarHBondContact O-CB 3.38Å; I335-C338 PolarHBondContact O-N 3.44Å; I335-C338 VanDerWaalsContact O-N 3.08Å; I335-C338 PolarHBondContact O-SG 2.93Å; D336-C338 VanDerWaalsContact C-N 3.25Å; D336-C338 PolarHBondContact O-N 2.94Å; C338-I350 HydrophobicContact CB-CG2 3.99Å; C338-G351 CarbonylContact C-O 3.49Å; C338-G351 VanDerWaalsContact CA-O 3.22Å; C338-G351 WeakPolarHBondContact CA-O 3.23Å; C338-G351 WeakPolarHBondContact CB-O 3.14Å
339R93.7Very high87.4Confident91 Ų9137.2 Ų37.234%0.34323%0.226SC..EExtended strand (participates in β ladder)trans-119.4133.3170.9-68.6-56.4-170.3-137.114.5113.2I350 G351 P385 H386 M388R339-I350 WeakPolarHBondContact O-CA 3.34Å; R339-G351 PolarHBondContact N-O 3.4Å; R339-G351 PolarHBondContact O-N 3.18Å; R339-P385 HydrophobicContact CB-CB 4.07Å; R339-P385 HydrophobicContact CB-CG 4.07Å; R339-P385 HydrophobicContact CG-CB 4.11Å; R339-P385 HydrophobicContact CG-CG 4.23Å; R339-P385 WeakPolarHBondContact CG-O 3.34Å; R339-H386 PolarHBondContact NE-O 3.33Å; R339-H386 PolarHBondContact NH2-CE1 2.72Å; R339-H386 PolarHBondContact NH2-O 3.35Å; R339-M388 HydrophobicContact CB-CE 3.89Å; R339-M388 HydrophobicContact CB-CG 4.15Å; R339-M388 HydrophobicContact CB-SD 4.25Å; R339-M388 WeakPolarHBondContact O-CE 3.44Å
340V93.8Very high88.2Confident43 Ų4332.9 Ų32.926%0.26120%0.195SC..EExtended strand (participates in β ladder)trans-82.2114.5175.8-113.90000115.1I280 M292 F348 L349 I350I280-V340 HydrophobicContact CD1-CB 3.68Å; I280-V340 HydrophobicContact CD1-CG1 4.31Å; I280-V340 HydrophobicContact CD1-CG2 3.56Å; I280-V340 HydrophobicContact CG1-CB 4.48Å; M292-V340 HydrophobicContact CE-CG2 4Å; V340-F348 HydrophobicContact CG1-CB 3.91Å; V340-L349 VanDerWaalsContact CG1-O 3.26Å; V340-L349 WeakPolarHBondContact CG1-O 3.42Å; V340-I350 HydrophobicContact CB-CG1 4.36Å; V340-I350 HydrophobicContact CG1-CB 4.37Å; V340-I350 HydrophobicContact CG1-CG1 3.45Å; V340-I350 VanDerWaalsContact CG1-CG1 3.45Å; V340-I350 HydrophobicContact CG2-CG1 3.92Å
341V93.3Very high89.1Confident15 Ų1531.2 Ų31.29%0.09118%0.184CC..EExtended strand (participates in β ladder)trans-128.6129.2155.673.20000111.7L343 F348 L349 M388 L390 L396V341-L343 HydrophobicContact CG1-CD2 4.27Å; V341-F348 CarbonylContact O-C 3.49Å; V341-F348 WeakPolarHBondContact O-CA 3.39Å; V341-L349 HydrophobicContact CG1-CB 3.8Å; V341-L349 HydrophobicContact CG1-CD2 4.1Å; V341-L349 HydrophobicContact CG1-CG 4.35Å; V341-L349 PolarHBondContact N-O 2.93Å; V341-L349 VanDerWaalsContact N-O 3.09Å; V341-L349 PolarHBondContact O-N 2.95Å; V341-M388 HydrophobicContact CB-CB 4.4Å; V341-M388 HydrophobicContact CB-CE 4.1Å; V341-M388 HydrophobicContact CG1-CE 3.81Å; V341-L390 HydrophobicContact CG2-CB 4.36Å; V341-L396 HydrophobicContact CG1-CD1 4.09Å
342T91.8Very high90.2Very high51 Ų5130 Ų3031%0.31317%0.172SC..EExtended strand (participates in β ladder)trans-78121.1174.9-49.50000108.7P283 N344 F348P283-T342 HydrophobicContact CG-CG2 4.07Å; T342-N344 WeakPolarHBondContact CG2-O 3.23Å; T342-F348 HydrophobicContact CG2-CD1 4.1Å; T342-F348 HydrophobicContact CG2-CE1 3.74Å; T342-F348 HydrophobicContact CG2-CZ 4.31Å; T342-F348 WeakPolarHBondContact OG1-CE1 3.47Å
343L89.4Confident90.6Very high24 Ų2435.1 Ų35.113%0.12619%0.185CC..SBendtrans-89.7-41.8176.5-63.4-174.7000111.3V341 Q347 L349 L359 L390 Y525V341-L343 HydrophobicContact CG1-CD2 4.27Å; L343-Q347 PolarHBondContact N-O 2.97Å; L343-L349 HydrophobicContact CD1-CB 3.89Å; L343-L349 HydrophobicContact CD2-CB 4.2Å; L343-L349 HydrophobicContact CD2-CD2 4.41Å; L343-L349 HydrophobicContact CG-CB 3.91Å; L343-L359 HydrophobicContact CD1-CD1 3.99Å; L343-L390 HydrophobicContact CD2-CD1 4Å; L343-L390 HydrophobicContact CD2-CD2 4.3Å; L343-Y525 HydrophobicContact CD1-CD2 3.79Å; L343-Y525 HydrophobicContact CD1-CE1 4.42Å; L343-Y525 HydrophobicContact CD1-CE2 3.37Å; L343-Y525 HydrophobicContact CD1-CG 4.46Å
344N86.8Confident90.4Very high54 Ų5436.8 Ų36.829%0.28920%0.198SC..SBendtrans-150.7-175.6173.159.652000109T342 T346 Q347T342-N344 WeakPolarHBondContact CG2-O 3.23Å; N344-T346 PolarHBondContact O-N 2.68Å; N344-T346 PolarHBondContact OD1-N 3.43Å; N344-T346 VanDerWaalsContact OD1-N 3.08Å; N344-T346 PolarHBondContact OD1-OG1 3.09Å; N344-Q347 PolarHBondContact N-O 3.12Å; N344-Q347 PolarHBondContact ND2-OE1 2.89Å; N344-Q347 PolarHBondContact O-N 3.27Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.33Å; N344-Q347 WeakPolarHBondContact OD1-CG 3.22Å; N344-Q347 PolarHBondContact OD1-N 2.61Å
345E87.8Confident90.3Very high99 Ų9935.6 Ų35.646%0.46319%0.19SC..SBendtrans-60.5-32.5-174-59.4169.5174.700112.9P283 P285 I286P283-E345 HydrophobicContact CB-CG 4.27Å; P285-E345 VanDerWaalsContact CD-CD 3.44Å; P285-E345 WeakPolarHBondContact CD-OE2 3.39Å; I286-E345 HydrophobicContact CD1-CB 4.05Å; I286-E345 VanDerWaalsContact CD1-O 3.29Å; I286-E345 WeakPolarHBondContact CD1-O 3.28Å
346T89.2Confident90.2Very high42 Ų4236.7 Ų36.726%0.25820%0.196SC..SBendtrans-99.3-19.8-178.749.50000114.7I286 N344 L362 L364I286-T346 HydrophobicContact CD1-CG2 3.67Å; N344-T346 PolarHBondContact O-N 2.68Å; N344-T346 PolarHBondContact OD1-N 3.43Å; N344-T346 VanDerWaalsContact OD1-N 3.08Å; N344-T346 PolarHBondContact OD1-OG1 3.09Å; T346-L362 WeakPolarHBondContact O-CG 3.47Å; T346-L362 PolarHBondContact O-N 2.98Å; T346-L364 HydrophobicContact CG2-CD1 3.44Å; T346-L364 VanDerWaalsContact CG2-CD1 3.44Å; T346-L364 HydrophobicContact CG2-CG 3.96Å
347Q91.8Very high90.4Very high7 Ų734.4 Ų34.43%0.03318%0.183CC..EExtended strand (participates in β ladder)trans-121.6131.3-168.1-59.7-174.2-63.200114.1L343 N344 L359 L360 S361 I522 V523 Y525L343-Q347 PolarHBondContact N-O 2.97Å; N344-Q347 PolarHBondContact N-O 3.12Å; N344-Q347 PolarHBondContact ND2-OE1 2.89Å; N344-Q347 PolarHBondContact O-N 3.27Å; N344-Q347 WeakPolarHBondContact OD1-CB 3.33Å; N344-Q347 WeakPolarHBondContact OD1-CG 3.22Å; N344-Q347 PolarHBondContact OD1-N 2.61Å; Q347-L359 HydrophobicContact CB-CD1 4.13Å; Q347-L360 WeakPolarHBondContact CA-O 3.32Å; Q347-S361 PolarHBondContact NE2-OG 2.8Å; Q347-S361 VanDerWaalsContact NE2-OG 3.17Å; Q347-I522 VanDerWaalsContact NE2-CG2 3.29Å; Q347-V523 PolarHBondContact NE2-O 3.49Å; Q347-Y525 PolarHBondContact OE1-OH 2.91Å
348F94.6Very high90.8Very high1 Ų132.9 Ų32.90%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-125.4120.1-177.3-57.3-96000109.9I280 V282 V340 V341 T342 L360 L362I280-F348 HydrophobicContact CG2-CD1 4Å; I280-F348 HydrophobicContact CG2-CE1 3.78Å; V282-F348 HydrophobicContact CG1-CZ 4.34Å; V282-F348 HydrophobicContact CG2-CZ 4.1Å; V340-F348 HydrophobicContact CG1-CB 3.91Å; V341-F348 CarbonylContact O-C 3.49Å; V341-F348 WeakPolarHBondContact O-CA 3.39Å; T342-F348 HydrophobicContact CG2-CD1 4.1Å; T342-F348 HydrophobicContact CG2-CE1 3.74Å; T342-F348 HydrophobicContact CG2-CZ 4.31Å; T342-F348 WeakPolarHBondContact OG1-CE1 3.47Å; F348-L360 HydrophobicContact CB-CB 4.34Å; F348-L360 HydrophobicContact CD2-CD2 4.49Å; F348-L360 PolarHBondContact N-O 3.4Å; F348-L360 PolarHBondContact O-N 3.43Å; F348-L362 HydrophobicContact CD2-CG 4.49Å; F348-L362 HydrophobicContact CE2-CD1 3.77Å; F348-L362 HydrophobicContact CE2-CG 3.98Å; F348-L362 HydrophobicContact CZ-CD1 4.49Å
349L94.5Very high90.8Very high0 Ų032.3 Ų32.30%016%0.159CC..EExtended strand (participates in β ladder)trans-88.3113.7177.2-179.871.2000109.7V340 V341 L343 L357 L396 F527V340-L349 VanDerWaalsContact CG1-O 3.26Å; V340-L349 WeakPolarHBondContact CG1-O 3.42Å; V341-L349 HydrophobicContact CG1-CB 3.8Å; V341-L349 HydrophobicContact CG1-CD2 4.1Å; V341-L349 HydrophobicContact CG1-CG 4.35Å; V341-L349 PolarHBondContact N-O 2.93Å; V341-L349 VanDerWaalsContact N-O 3.09Å; V341-L349 PolarHBondContact O-N 2.95Å; L343-L349 HydrophobicContact CD1-CB 3.89Å; L343-L349 HydrophobicContact CD2-CB 4.2Å; L343-L349 HydrophobicContact CD2-CD2 4.41Å; L343-L349 HydrophobicContact CG-CB 3.91Å; L349-L357 HydrophobicContact CD1-CB 4.29Å; L349-L396 HydrophobicContact CD2-CD1 4.45Å; L349-L396 HydrophobicContact CD2-CD2 3.59Å; L349-F527 HydrophobicContact CD1-CE2 4.14Å; L349-F527 HydrophobicContact CD1-CZ 3.75Å; L349-F527 HydrophobicContact CD2-CE1 3.92Å; L349-F527 HydrophobicContact CD2-CZ 3.62Å; L349-F527 HydrophobicContact CG-CZ 4.36Å
350I94.8Very high90.7Very high0 Ų028 Ų280%014%0.143CC..EExtended strand (participates in β ladder)trans-103.1109.3-175.3-63.4160.4000108.8M292 I297 C338 R339 V340 Y358 L360 F376M292-I350 HydrophobicContact CE-CD1 3.52Å; M292-I350 HydrophobicContact CE-CG1 3.94Å; M292-I350 HydrophobicContact CE-CG2 4.23Å; I297-I350 HydrophobicContact CD1-CD1 4.07Å; C338-I350 HydrophobicContact CB-CG2 3.99Å; R339-I350 WeakPolarHBondContact O-CA 3.34Å; V340-I350 HydrophobicContact CB-CG1 4.36Å; V340-I350 HydrophobicContact CG1-CB 4.37Å; V340-I350 HydrophobicContact CG1-CG1 3.45Å; V340-I350 VanDerWaalsContact CG1-CG1 3.45Å; V340-I350 HydrophobicContact CG2-CG1 3.92Å; I350-Y358 PolarHBondContact N-O 2.85Å; I350-Y358 PolarHBondContact O-N 2.92Å; I350-L360 HydrophobicContact CD1-CB 3.61Å; I350-L360 HydrophobicContact CD1-CD2 4.19Å; I350-F376 HydrophobicContact CB-CE2 4.46Å; I350-F376 HydrophobicContact CD1-CD2 4.21Å; I350-F376 HydrophobicContact CD1-CE2 3.71Å
351G93.3Very high90.6Very high0 Ų026.2 Ų26.20%013%0.132CC..EExtended strand (participates in β ladder)trans-91.4122.8171.400000110.9C338 R339C338-G351 CarbonylContact C-O 3.49Å; C338-G351 VanDerWaalsContact CA-O 3.22Å; C338-G351 WeakPolarHBondContact CA-O 3.23Å; C338-G351 WeakPolarHBondContact CB-O 3.14Å; R339-G351 PolarHBondContact N-O 3.4Å; R339-G351 PolarHBondContact O-N 3.18Å
352T91.4Very high90.5Very high1 Ų125.8 Ų25.81%0.00613%0.13CC..  trans-86.2161.6-178.460.40000112.3L333 I335 S354 G355 N356 Y358 P385L333-T352 HydrophobicContact CD1-CG2 4.28Å; L333-T352 HydrophobicContact CD2-CG2 4.09Å; I335-T352 HydrophobicContact CG2-CG2 4.39Å; T352-S354 PolarHBondContact O-N 3.34Å; T352-S354 PolarHBondContact OG1-OG 2.83Å; T352-G355 PolarHBondContact O-N 3.31Å; T352-N356 PolarHBondContact N-O 2.91Å; T352-N356 WeakPolarHBondContact OG1-CB 3.18Å; T352-N356 PolarHBondContact OG1-N 3.47Å; T352-N356 PolarHBondContact OG1-O 3.09Å; T352-Y358 HydrophobicContact CG2-CD2 3.73Å; T352-Y358 HydrophobicContact CG2-CE2 3.66Å; T352-P385 WeakPolarHBondContact O-CD 3.34Å
353R86.8Confident90.2Very high155 Ų15524.7 Ų24.759%0.58512%0.12SC*.THydrogen-bonded Turntrans-62.3-9175.364.1172.6166.1120.4-8.6114.9D336D336-R353 VanDerWaalsContact CG-NH2 3.28Å; D336-R353 WeakPolarHBondContact O-CD 3.25Å; D336-R353 WeakPolarHBondContact O-CG 3.23Å; D336-R353 PolarHBondContact O-NE 2.63Å; D336-R353 IonicContact OD1-CZ 3.99Å; D336-R353 VanDerWaalsContact OD1-CZ 3.31Å; D336-R353 IonicContact OD1-NE 2.85Å; D336-R353 PolarHBondContact OD1-NE 3.49Å; D336-R353 IonicContact OD1-NH2 2.64Å; D336-R353 PolarHBondContact OD1-NH2 3.12Å; D336-R353 IonicContact OD2-CZ 2.71Å; D336-R353 IonicContact OD2-NE 3.96Å; D336-R353 PolarHBondContact OD2-NE 2.98Å; D336-R353 IonicContact OD2-NH2 2.84Å; D336-R353 PolarHBondContact OD2-NH2 2.81Å
354S82.8Confident89.9Confident51 Ų5124.2 Ų24.236%0.35712%0.117SC..THydrogen-bonded Turntrans-102.420.3171.963.10000113T352 N356 H381 F582T352-S354 PolarHBondContact O-N 3.34Å; T352-S354 PolarHBondContact OG1-OG 2.83Å; S354-N356 PolarHBondContact O-N 2.97Å; S354-N356 PolarHBondContact O-ND2 3.19Å; S354-N356 VanDerWaalsContact O-ND2 3.14Å; S354-N356 PolarHBondContact OG-ND2 3.41Å; S354-H381 PolarHBondContact O-CE1 3.39Å; S354-H381 VanDerWaalsContact O-CE1 3.24Å; S354-F582 VanDerWaalsContact O-CE2 3.29Å; S354-F582 WeakPolarHBondContact O-CE2 3.37Å
355G85.8Confident89.6Confident0 Ų025.7 Ų25.70%012%0.123CC..SBendtrans71.4-11.6176.500000115.8T352 L357 A382T352-G355 PolarHBondContact O-N 3.31Å; G355-L357 PolarHBondContact O-N 3.14Å; G355-A382 CarbonylContact C-O 3.56Å; G355-A382 WeakPolarHBondContact CA-O 3.47Å; G355-A382 PolarHBondContact O-N 2.85Å
356N88.9Confident88.9Confident28 Ų2827.9 Ų27.915%0.1513%0.133CC..EExtended strand (participates in β ladder)trans-65.7131175.7-67.1-77.8000110.6T352 S354 Y358 K378 H381T352-N356 PolarHBondContact N-O 2.91Å; T352-N356 WeakPolarHBondContact OG1-CB 3.18Å; T352-N356 PolarHBondContact OG1-N 3.47Å; T352-N356 PolarHBondContact OG1-O 3.09Å; S354-N356 PolarHBondContact O-N 2.97Å; S354-N356 PolarHBondContact O-ND2 3.19Å; S354-N356 VanDerWaalsContact O-ND2 3.14Å; S354-N356 PolarHBondContact OG-ND2 3.41Å; N356-Y358 HydrophobicContact CB-CD2 4.32Å; N356-Y358 HydrophobicContact CB-CE2 3.53Å; N356-K378 WeakPolarHBondContact OD1-CE 3.36Å; N356-K378 PolarHBondContact OD1-NZ 2.8Å; N356-H381 PolarHBondContact OD1-ND1 2.91Å
357L91.5Very high88.2Confident1 Ų129.1 Ų29.11%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-101.1129.4179.3-60.8-177.9000110.3L349 G355 V379 G380 A382 I398 F527L349-L357 HydrophobicContact CD1-CB 4.29Å; G355-L357 PolarHBondContact O-N 3.14Å; L357-V379 PolarHBondContact O-N 2.9Å; L357-G380 PolarHBondContact N-O 3.24Å; L357-G380 PolarHBondContact O-N 3.48Å; L357-A382 HydrophobicContact CD1-CB 3.91Å; L357-A382 HydrophobicContact CD2-CB 4.36Å; L357-A382 HydrophobicContact CG-CB 4.1Å; L357-I398 HydrophobicContact CD2-CD1 4.47Å; L357-F527 HydrophobicContact CD1-CD2 3.66Å; L357-F527 HydrophobicContact CD1-CE2 3.78Å; L357-F527 HydrophobicContact CD1-CG 4.07Å; L357-F527 HydrophobicContact CD1-CZ 4.29Å
358Y92.1Very high87.5Confident15 Ų1532.2 Ų32.26%0.05917%0.167CC..EExtended strand (participates in β ladder)trans-127.7150179.6-64.5-103.5000110.7C330 L333 I350 T352 N356 F376 H377 K378C330-Y358 HydrophobicContact CB-CD1 4.48Å; C330-Y358 HydrophobicContact CB-CE1 4.05Å; L333-Y358 HydrophobicContact CD1-CE2 4.25Å; L333-Y358 HydrophobicContact CD2-CD1 4.26Å; L333-Y358 HydrophobicContact CD2-CD2 4.09Å; L333-Y358 HydrophobicContact CD2-CE1 3.89Å; L333-Y358 HydrophobicContact CD2-CE2 3.7Å; L333-Y358 HydrophobicContact CD2-CG 4.36Å; I350-Y358 PolarHBondContact N-O 2.85Å; I350-Y358 PolarHBondContact O-N 2.92Å; T352-Y358 HydrophobicContact CG2-CD2 3.73Å; T352-Y358 HydrophobicContact CG2-CE2 3.66Å; N356-Y358 HydrophobicContact CB-CD2 4.32Å; N356-Y358 HydrophobicContact CB-CE2 3.53Å; Y358-F376 HydrophobicContact CD1-CD1 4.28Å; Y358-F376 AromaticContact CD1-CE1 3.49Å; Y358-F376 HydrophobicContact CD1-CE1 3.49Å; Y358-F376 VanDerWaalsContact CD1-CE1 3.49Å; Y358-F376 HydrophobicContact CD1-CE2 4.29Å; Y358-F376 AromaticContact CD1-CZ 3.5Å; Y358-F376 HydrophobicContact CD1-CZ 3.5Å; Y358-F376 VanDerWaalsContact CD1-CZ 3.5Å; Y358-F376 HydrophobicContact CD2-CZ 4.22Å; Y358-F376 HydrophobicContact CE1-CE1 4.04Å; Y358-F376 HydrophobicContact CE1-CZ 4.32Å; Y358-F376 AromaticContact CG-CE1 3.97Å; Y358-F376 HydrophobicContact CG-CE1 3.97Å; Y358-F376 HydrophobicContact CG-CE2 4.04Å; Y358-F376 AromaticContact CG-CZ 3.45Å; Y358-F376 HydrophobicContact CG-CZ 3.45Å; Y358-F376 VanDerWaalsContact CG-CZ 3.45Å; Y358-H377 CarbonylContact C-O 3.58Å; Y358-H377 VanDerWaalsContact CA-O 3.22Å; Y358-H377 WeakPolarHBondContact CA-O 3.41Å; Y358-H377 WeakPolarHBondContact CB-O 3.21Å; Y358-K378 HydrophobicContact CD1-CB 3.83Å; Y358-K378 HydrophobicContact CD1-CG 4.5Å; Y358-K378 HydrophobicContact CE1-CB 3.7Å; Y358-K378 HydrophobicContact CE1-CG 4.27Å
359L92.3Very high86.7Confident0 Ų036.3 Ų36.30%019%0.186CC..EExtended strand (participates in β ladder)trans-113118.1178.9-170.766000110L343 Q347 F376 H377 V379 V523 Y525L343-L359 HydrophobicContact CD1-CD1 3.99Å; Q347-L359 HydrophobicContact CB-CD1 4.13Å; L359-F376 WeakPolarHBondContact O-CA 3.5Å; L359-H377 PolarHBondContact N-O 3.29Å; L359-H377 PolarHBondContact O-N 3.25Å; L359-V379 HydrophobicContact CB-CG2 3.52Å; L359-V379 HydrophobicContact CD2-CG2 4.34Å; L359-V523 WeakPolarHBondContact CD2-O 3.4Å; L359-Y525 HydrophobicContact CD1-CD2 4.28Å; L359-Y525 HydrophobicContact CD1-CE2 4.2Å; L359-Y525 HydrophobicContact CD2-CD2 3.9Å; L359-Y525 HydrophobicContact CD2-CE2 4.04Å
360L92.9Very high86.2Confident1 Ų137.8 Ų37.81%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-92.3117.4168.7173.970.3000108.4V290 I297 Q347 F348 I350 L374 L375 F376V290-L360 HydrophobicContact CG1-CD2 4.05Å; I297-L360 HydrophobicContact CD1-CD1 4.36Å; I297-L360 HydrophobicContact CD1-CD2 4.48Å; I297-L360 HydrophobicContact CG2-CD1 4.38Å; I297-L360 HydrophobicContact CG2-CD2 3.92Å; Q347-L360 WeakPolarHBondContact CA-O 3.32Å; F348-L360 HydrophobicContact CB-CB 4.34Å; F348-L360 HydrophobicContact CD2-CD2 4.49Å; F348-L360 PolarHBondContact N-O 3.4Å; F348-L360 PolarHBondContact O-N 3.43Å; I350-L360 HydrophobicContact CD1-CB 3.61Å; I350-L360 HydrophobicContact CD1-CD2 4.19Å; L360-L374 HydrophobicContact CD1-CB 4.11Å; L360-L374 HydrophobicContact CD1-CD2 4.46Å; L360-L375 CarbonylContact C-O 3.52Å; L360-L375 VanDerWaalsContact CA-O 3.3Å; L360-L375 WeakPolarHBondContact CA-O 3.31Å; L360-F376 HydrophobicContact CB-CD2 4.21Å
361S91.3Very high85.8Confident5 Ų538.4 Ų38.44%0.03520%0.199CC..EExtended strand (participates in β ladder)trans-112.2124.2173.8-55.30000110.3Q347 W363 L375Q347-S361 PolarHBondContact NE2-OG 2.8Å; Q347-S361 VanDerWaalsContact NE2-OG 3.17Å; S361-W363 PolarHBondContact O-N 3.36Å; S361-L375 PolarHBondContact N-O 3.23Å; S361-L375 PolarHBondContact O-N 2.97Å
362L90.2Very high85.3Confident7 Ų741.7 Ų41.74%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-75115.1174.4-57.9-177000109.3V282 V290 T346 F348 L364 V371 L374V282-L362 HydrophobicContact CG1-CD1 3.98Å; V282-L362 HydrophobicContact CG2-CD1 4.22Å; V290-L362 HydrophobicContact CG2-CD2 4.3Å; T346-L362 WeakPolarHBondContact O-CG 3.47Å; T346-L362 PolarHBondContact O-N 2.98Å; F348-L362 HydrophobicContact CD2-CG 4.49Å; F348-L362 HydrophobicContact CE2-CD1 3.77Å; F348-L362 HydrophobicContact CE2-CG 3.98Å; F348-L362 HydrophobicContact CZ-CD1 4.49Å; L362-L364 PolarHBondContact O-N 3Å; L362-L364 VanDerWaalsContact O-N 3.13Å; L362-V371 HydrophobicContact CB-CG1 4.04Å; L362-V371 HydrophobicContact CB-CG2 4.03Å; L362-V371 HydrophobicContact CD1-CG2 4.16Å; L362-V371 HydrophobicContact CD2-CG1 4.23Å; L362-L374 HydrophobicContact CD2-CD2 3.44Å; L362-L374 VanDerWaalsContact CD2-CD2 3.44Å
363W85.3Confident85Confident27 Ų2742.7 Ų42.710%0.10223%0.226CC..EExtended strand (participates in β ladder)trans-79.1101.1179.2-164.5-76.2000110.2S361 V371 T372 S373 R520 I522S361-W363 PolarHBondContact O-N 3.36Å; W363-V371 WeakPolarHBondContact O-CA 3.2Å; W363-T372 PolarHBondContact O-N 3.1Å; W363-T372 PolarHBondContact O-OG1 3.37Å; W363-S373 WeakPolarHBondContact CB-O 3.29Å; W363-S373 WeakPolarHBondContact CB-OG 3.49Å; W363-S373 PolarHBondContact N-O 3.48Å; W363-R520 HydrophobicContact CH2-CB 3.44Å; W363-R520 VanDerWaalsContact CH2-CB 3.44Å; W363-R520 HydrophobicContact CZ2-CB 3.79Å; W363-R520 HydrophobicContact CZ3-CB 4.1Å; W363-I522 HydrophobicContact CE3-CD1 4.16Å; W363-I522 HydrophobicContact CZ3-CD1 4.01Å
364L83.6Confident85.2Confident15 Ų1535.5 Ų35.58%0.07920%0.199CC..EExtended strand (participates in β ladder)trans-83.7127.2178.8-68176.1000112.4I286 T346 L362 Q366 T370 V371 R520I286-L364 HydrophobicContact CD1-CD1 3.78Å; I286-L364 HydrophobicContact CD1-CD2 4.16Å; I286-L364 HydrophobicContact CD1-CG 4.36Å; I286-L364 HydrophobicContact CG1-CD1 3.91Å; I286-L364 HydrophobicContact CG1-CD2 4.03Å; I286-L364 HydrophobicContact CG2-CD2 3.93Å; T346-L364 HydrophobicContact CG2-CD1 3.44Å; T346-L364 VanDerWaalsContact CG2-CD1 3.44Å; T346-L364 HydrophobicContact CG2-CG 3.96Å; L362-L364 PolarHBondContact O-N 3Å; L362-L364 VanDerWaalsContact O-N 3.13Å; L364-Q366 PolarHBondContact O-N 2.96Å; L364-T370 WeakPolarHBondContact CA-O 3.48Å; L364-V371 HydrophobicContact CD2-CG2 3.85Å; L364-R520 PolarHBondContact O-NH1 2.96Å; L364-R520 PolarHBondContact O-NH2 3.07Å
365E80.5Confident85.4Confident85 Ų8533.7 Ų33.740%0.39719%0.185SC..EExtended strand (participates in β ladder)trans-69.9121.9160.8-179174.9-108.500109.6A367 T368 Q369 T370 T372E365-A367 PolarHBondContact O-N 2.89Å; E365-T368 PolarHBondContact O-N 2.79Å; E365-T368 WeakPolarHBondContact OE2-CB 3.36Å; E365-T368 WeakPolarHBondContact OE2-CG2 3.46Å; E365-T368 PolarHBondContact OE2-OG1 3.04Å; E365-Q369 WeakPolarHBondContact O-CA 3.44Å; E365-Q369 PolarHBondContact O-N 2.91Å; E365-T370 PolarHBondContact N-O 3.15Å; E365-T372 HydrophobicContact CB-CG2 3.97Å
366Q73.7Confident85.6Confident144 Ų14433.9 Ų33.967%0.67319%0.186SC*.THydrogen-bonded Turntrans-62-40.3-169.6-68.6-175-4.300113.1L364 Q369L364-Q366 PolarHBondContact O-N 2.96Å; Q366-Q369 PolarHBondContact O-NE2 2.92Å
367A74.5Confident85.5Confident68 Ų6833.5 Ų33.556%0.56218%0.183SC*.THydrogen-bonded Turntrans-69.8-38.3-176.900000113.2E365E365-A367 PolarHBondContact O-N 2.89Å
368T76.1Confident85.3Confident72 Ų7238.2 Ų38.244%0.44220%0.204SC..THydrogen-bonded Turntrans-103.8-13.8-172.465.60000114E365 T370E365-T368 PolarHBondContact O-N 2.79Å; E365-T368 WeakPolarHBondContact OE2-CB 3.36Å; E365-T368 WeakPolarHBondContact OE2-CG2 3.46Å; E365-T368 PolarHBondContact OE2-OG1 3.04Å; T368-T370 PolarHBondContact O-N 2.82Å; T368-T370 PolarHBondContact OG1-N 2.74Å; T368-T370 PolarHBondContact OG1-OG1 3.29Å
369Q78.7Confident85.2Confident88 Ų8838.8 Ų38.841%0.41121%0.208SC..THydrogen-bonded Turntrans53.133.7-171.1-61.1-67.1-41.300112.5E365 Q366E365-Q369 WeakPolarHBondContact O-CA 3.44Å; E365-Q369 PolarHBondContact O-N 2.91Å; Q366-Q369 PolarHBondContact O-NE2 2.92Å
370T83Confident84.9Confident31 Ų3139.7 Ų39.719%0.1922%0.218CC..EExtended strand (participates in β ladder)trans-102.3148.8173.868.60000110.9L304 L364 E365 T368L304-T370 HydrophobicContact CD1-CG2 3.75Å; L304-T370 HydrophobicContact CD2-CG2 3.84Å; L304-T370 HydrophobicContact CG-CG2 4.47Å; L364-T370 WeakPolarHBondContact CA-O 3.48Å; E365-T370 PolarHBondContact N-O 3.15Å; T368-T370 PolarHBondContact O-N 2.82Å; T368-T370 PolarHBondContact OG1-N 2.74Å; T368-T370 PolarHBondContact OG1-OG1 3.29Å
371V86.9Confident84.5Confident13 Ų1342.6 Ų42.68%0.07923%0.231CC..EExtended strand (participates in β ladder)trans-86118.3176.4-176.70000108.7I286 Y299 L362 W363 L364 S373 L374I286-V371 HydrophobicContact CG2-CG2 4.08Å; Y299-V371 HydrophobicContact CD1-CB 3.79Å; Y299-V371 HydrophobicContact CD1-CG1 4.2Å; Y299-V371 HydrophobicContact CD1-CG2 4.11Å; Y299-V371 HydrophobicContact CE1-CB 3.62Å; Y299-V371 HydrophobicContact CE1-CG2 3.64Å; Y299-V371 HydrophobicContact CE2-CG2 4.09Å; Y299-V371 HydrophobicContact CG-CB 4.45Å; L362-V371 HydrophobicContact CB-CG1 4.04Å; L362-V371 HydrophobicContact CB-CG2 4.03Å; L362-V371 HydrophobicContact CD1-CG2 4.16Å; L362-V371 HydrophobicContact CD2-CG1 4.23Å; W363-V371 WeakPolarHBondContact O-CA 3.2Å; L364-V371 HydrophobicContact CD2-CG2 3.85Å; V371-S373 WeakPolarHBondContact CG1-O 3.41Å; V371-L374 HydrophobicContact CG1-CD2 4Å
372T83.6Confident84.3Confident69 Ų6942.5 Ų42.542%0.42323%0.231SC..EExtended strand (participates in β ladder)trans-94.2-49-179.857.90000111.8C307 W363 E365C307-T372 PolarHBondContact SG-O 3.47Å; W363-T372 PolarHBondContact O-N 3.1Å; W363-T372 PolarHBondContact O-OG1 3.37Å; E365-T372 HydrophobicContact CB-CG2 3.97Å
373S85.1Confident84.1Confident21 Ų2142.3 Ų42.315%0.14723%0.23CC..EExtended strand (participates in β ladder)trans-129.3170177.669.70000113.5W363 V371W363-S373 WeakPolarHBondContact CB-O 3.29Å; W363-S373 WeakPolarHBondContact CB-OG 3.49Å; W363-S373 PolarHBondContact N-O 3.48Å; V371-S373 WeakPolarHBondContact CG1-O 3.41Å
374L89.7Confident84.3Confident4 Ų441.7 Ų41.72%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-123.598-177.5-64.2178.2000109.4I297 L309 Q325 L360 L362 V371I297-L374 HydrophobicContact CG2-CD1 4.33Å; L309-L374 HydrophobicContact CB-CB 4.26Å; L309-L374 HydrophobicContact CB-CD1 4.12Å; L309-L374 HydrophobicContact CD2-CB 4.29Å; Q325-L374 PolarHBondContact OE1-O 2.79Å; L360-L374 HydrophobicContact CD1-CB 4.11Å; L360-L374 HydrophobicContact CD1-CD2 4.46Å; L362-L374 HydrophobicContact CD2-CD2 3.44Å; L362-L374 VanDerWaalsContact CD2-CD2 3.44Å; V371-L374 HydrophobicContact CG1-CD2 4Å
375L87.7Confident84.7Confident13 Ų1341.4 Ų41.47%0.06823%0.228CC..EExtended strand (participates in β ladder)trans-76.6127.3177.1170.960.4000110.1L360 S361 V417 I522L360-L375 CarbonylContact C-O 3.52Å; L360-L375 VanDerWaalsContact CA-O 3.3Å; L360-L375 WeakPolarHBondContact CA-O 3.31Å; S361-L375 PolarHBondContact N-O 3.23Å; S361-L375 PolarHBondContact O-N 2.97Å; L375-V417 HydrophobicContact CD2-CG2 4.02Å; L375-I522 HydrophobicContact CD2-CD1 3.54Å
376F89.4Confident85.3Confident5 Ų539.3 Ų39.32%0.02222%0.218CC..EExtended strand (participates in β ladder)trans-135.4113.9177.6-175.1-104.3000111.8I297 L309 L311 P328 C330 L333 I350 Y358 L359 L360I297-F376 HydrophobicContact CD1-CD2 4.04Å; I297-F376 HydrophobicContact CD1-CE2 4.13Å; L309-F376 HydrophobicContact CD2-CB 3.66Å; L309-F376 HydrophobicContact CD2-CG 4.36Å; L311-F376 HydrophobicContact CD2-CD1 3.83Å; L311-F376 HydrophobicContact CD2-CE1 3.92Å; L311-F376 HydrophobicContact CD2-CG 4.44Å; P328-F376 HydrophobicContact CG-CD1 3.98Å; C330-F376 PolarHBondContact SG-O 3.02Å; L333-F376 HydrophobicContact CD2-CE1 3.65Å; L333-F376 HydrophobicContact CD2-CZ 3.66Å; I350-F376 HydrophobicContact CB-CE2 4.46Å; I350-F376 HydrophobicContact CD1-CD2 4.21Å; I350-F376 HydrophobicContact CD1-CE2 3.71Å; Y358-F376 HydrophobicContact CD1-CD1 4.28Å; Y358-F376 AromaticContact CD1-CE1 3.49Å; Y358-F376 HydrophobicContact CD1-CE1 3.49Å; Y358-F376 VanDerWaalsContact CD1-CE1 3.49Å; Y358-F376 HydrophobicContact CD1-CE2 4.29Å; Y358-F376 AromaticContact CD1-CZ 3.5Å; Y358-F376 HydrophobicContact CD1-CZ 3.5Å; Y358-F376 VanDerWaalsContact CD1-CZ 3.5Å; Y358-F376 HydrophobicContact CD2-CZ 4.22Å; Y358-F376 HydrophobicContact CE1-CE1 4.04Å; Y358-F376 HydrophobicContact CE1-CZ 4.32Å; Y358-F376 AromaticContact CG-CE1 3.97Å; Y358-F376 HydrophobicContact CG-CE1 3.97Å; Y358-F376 HydrophobicContact CG-CE2 4.04Å; Y358-F376 AromaticContact CG-CZ 3.45Å; Y358-F376 HydrophobicContact CG-CZ 3.45Å; Y358-F376 VanDerWaalsContact CG-CZ 3.45Å; L359-F376 WeakPolarHBondContact O-CA 3.5Å; L360-F376 HydrophobicContact CB-CD2 4.21Å
377H87Confident86.3Confident19 Ų1933 Ų339%0.08819%0.191CC..EExtended strand (participates in β ladder)trans-134.7158.1-179.657.9-87.2000111.7Y358 L359 V379Y358-H377 CarbonylContact C-O 3.58Å; Y358-H377 VanDerWaalsContact CA-O 3.22Å; Y358-H377 WeakPolarHBondContact CA-O 3.41Å; Y358-H377 WeakPolarHBondContact CB-O 3.21Å; L359-H377 PolarHBondContact N-O 3.29Å; L359-H377 PolarHBondContact O-N 3.25Å; H377-V379 VanDerWaalsContact CD2-CG2 3.49Å; H377-V379 WeakPolarHBondContact CD2-CG2 3.36Å
378K88.5Confident87.3Confident101 Ų10130.8 Ų30.844%0.43917%0.168SC..EExtended strand (participates in β ladder)trans-81.4138.3174.9-178.5174.8166.9175.30109.3C330 N356 Y358 G380C330-K378 HydrophobicContact CB-CB 4.31Å; N356-K378 WeakPolarHBondContact OD1-CE 3.36Å; N356-K378 PolarHBondContact OD1-NZ 2.8Å; Y358-K378 HydrophobicContact CD1-CB 3.83Å; Y358-K378 HydrophobicContact CD1-CG 4.5Å; Y358-K378 HydrophobicContact CE1-CB 3.7Å; Y358-K378 HydrophobicContact CE1-CG 4.27Å; K378-G380 VanDerWaalsContact CE-O 3.29Å; K378-G380 WeakPolarHBondContact CE-O 3.32Å
379V88.5Confident88.1Confident26 Ų2628.5 Ų28.516%0.15815%0.154CC..EExtended strand (participates in β ladder)trans-122.1-25.7-177.4-179.80000112.5L357 L359 H377 N524 Y525 F527L357-V379 PolarHBondContact O-N 2.9Å; L359-V379 HydrophobicContact CB-CG2 3.52Å; L359-V379 HydrophobicContact CD2-CG2 4.34Å; H377-V379 VanDerWaalsContact CD2-CG2 3.49Å; H377-V379 WeakPolarHBondContact CD2-CG2 3.36Å; V379-N524 WeakPolarHBondContact CG1-OD1 2.9Å; V379-Y525 WeakPolarHBondContact CG1-O 3.4Å; V379-F527 HydrophobicContact CB-CE2 4.44Å; V379-F527 HydrophobicContact CG1-CD2 4.43Å; V379-F527 HydrophobicContact CG1-CE2 3.72Å
380G86Confident88.8Confident19 Ų1926 Ų2620%0.19614%0.143CC..EExtended strand (participates in β ladder)trans-173.7-165.4178.400000115.1L357 K378L357-G380 PolarHBondContact N-O 3.24Å; L357-G380 PolarHBondContact O-N 3.48Å; K378-G380 VanDerWaalsContact CE-O 3.29Å; K378-G380 WeakPolarHBondContact CE-O 3.32Å
381H85.6Confident89.2Confident63 Ų6324.6 Ų24.629%0.29214%0.135SC..EExtended strand (participates in β ladder)trans-143.1137.5176.8-167.281.2000109.1S354 N356 F582S354-H381 PolarHBondContact O-CE1 3.39Å; S354-H381 VanDerWaalsContact O-CE1 3.24Å; N356-H381 PolarHBondContact OD1-ND1 2.91Å; H381-F582 AromaticContact CE1-CE2 3.85Å; H381-F582 AromaticContact CE1-CZ 3.68Å; H381-F582 AromaticContact NE2-CE2 3.76Å; H381-F582 AromaticContact NE2-CZ 3.29Å; H381-F582 VanDerWaalsContact NE2-CZ 3.29Å; H381-F582 WeakPolarHBondContact NE2-CZ 3.46Å
382A86.1Confident88.9Confident3 Ų329.9 Ų29.93%0.02516%0.159CC..  trans-151.4-169.6-175.700000109.6G355 L357 I398 M408 F582G355-A382 CarbonylContact C-O 3.56Å; G355-A382 WeakPolarHBondContact CA-O 3.47Å; G355-A382 PolarHBondContact O-N 2.85Å; L357-A382 HydrophobicContact CD1-CB 3.91Å; L357-A382 HydrophobicContact CD2-CB 4.36Å; L357-A382 HydrophobicContact CG-CB 4.1Å; A382-I398 HydrophobicContact CB-CD1 3.72Å; A382-M408 HydrophobicContact CB-CE 3.96Å; A382-M408 HydrophobicContact CB-SD 3.67Å; A382-F582 VanDerWaalsContact O-CZ 3.29Å; A382-F582 WeakPolarHBondContact O-CZ 3.26Å
383V87.5Confident88.4Confident2 Ų231 Ų311%0.01217%0.169CC..SBendtrans-70.8155.2176.7-55.80000112.5P385 I398 C403 V406 V584 V591V383-P385 WeakPolarHBondContact O-CD 3.41Å; V383-P385 VanDerWaalsContact O-N 3.16Å; V383-I398 HydrophobicContact CG2-CB 4.1Å; V383-I398 HydrophobicContact CG2-CG2 3.56Å; V383-C403 HydrophobicContact CB-CB 4.01Å; V383-C403 HydrophobicContact CG1-CB 4.04Å; V383-V406 HydrophobicContact CG1-CG1 3.92Å; V383-V406 HydrophobicContact CG1-CG2 4.27Å; V383-V406 HydrophobicContact CG2-CG2 3.82Å; V383-V584 HydrophobicContact CG1-CG2 4.34Å; V383-V591 HydrophobicContact CG1-CG1 3.9Å
384P89.4Confident88.4Confident14 Ų1436.6 Ų36.69%0.09119%0.191CC..  trans-64.1115.7177.6-2135.7000110S400 C403 F582P384-S400 VanDerWaalsContact O-CB 3.31Å; P384-S400 WeakPolarHBondContact O-CB 3.31Å; P384-S400 PolarHBondContact O-OG 2.63Å; P384-C403 WeakPolarHBondContact CD-SG 3.49Å; P384-F582 HydrophobicContact CG-CD1 3.89Å; P384-F582 HydrophobicContact CG-CD2 4.14Å; P384-F582 HydrophobicContact CG-CE1 3.96Å; P384-F582 HydrophobicContact CG-CE2 4.22Å; P384-F582 HydrophobicContact CG-CG 3.98Å; P384-F582 HydrophobicContact CG-CZ 4.13Å
385P92.2Very high88.6Confident9 Ų938.3 Ų38.36%0.05820%0.197CC..  trans-81.2128-169.331.9-33.7000111R339 T352 V383 M388 I398R339-P385 HydrophobicContact CB-CB 4.07Å; R339-P385 HydrophobicContact CB-CG 4.07Å; R339-P385 HydrophobicContact CG-CB 4.11Å; R339-P385 HydrophobicContact CG-CG 4.23Å; R339-P385 WeakPolarHBondContact CG-O 3.34Å; T352-P385 WeakPolarHBondContact O-CD 3.34Å; V383-P385 WeakPolarHBondContact O-CD 3.41Å; V383-P385 VanDerWaalsContact O-N 3.16Å; P385-M388 HydrophobicContact CB-CG 3.69Å; P385-M388 HydrophobicContact CB-SD 3.69Å; P385-M388 HydrophobicContact CG-SD 4.18Å; P385-I398 HydrophobicContact CB-CG2 3.7Å
386H92.7Very high88.9Confident41 Ų4137.7 Ų37.719%0.1919%0.194CC..SBendtrans-100.3-26.9163.5-160.459.5000112.9D27 R339 G399 R401D27-H386 PolarHBondContact O-CD2 2.75Å; D27-H386 VanDerWaalsContact O-CD2 3.28Å; R339-H386 PolarHBondContact NE-O 3.33Å; R339-H386 PolarHBondContact NH2-CE1 2.72Å; R339-H386 PolarHBondContact NH2-O 3.35Å; H386-G399 PolarHBondContact N-O 2.87Å; H386-R401 HydrophobicContact CB-CG 3.89Å; H386-R401 PolarHBondContact CD2-NE 2.77Å; H386-R401 PolarHBondContact CE1-NH2 3.2Å; H386-R401 PolarHBondContact NE2-NH1 3.47Å
387C93.7Very high89.2Confident13 Ų1337.4 Ų37.49%0.08819%0.193CC..EExtended strand (participates in β ladder)trans-148.4152.5166.558.80000109.6C29 G399C29-C387 PolarHBondContact SG-SG 3.08Å; C387-G399 PolarHBondContact N-O 3.39Å; C387-G399 VanDerWaalsContact N-O 3.09Å; C387-G399 PolarHBondContact O-N 3.44Å
388M95.1Very high89.5Confident20 Ų2036.5 Ų36.510%0.09919%0.189CC..EExtended strand (participates in β ladder)trans-139.2142.9178.4-57.3-168.8-48.600109.8R339 V341 P385 L396 F397 I398R339-M388 HydrophobicContact CB-CE 3.89Å; R339-M388 HydrophobicContact CB-CG 4.15Å; R339-M388 HydrophobicContact CB-SD 4.25Å; R339-M388 WeakPolarHBondContact O-CE 3.44Å; V341-M388 HydrophobicContact CB-CB 4.4Å; V341-M388 HydrophobicContact CB-CE 4.1Å; V341-M388 HydrophobicContact CG1-CE 3.81Å; P385-M388 HydrophobicContact CB-CG 3.69Å; P385-M388 HydrophobicContact CB-SD 3.69Å; P385-M388 HydrophobicContact CG-SD 4.18Å; M388-L396 HydrophobicContact CB-CD1 4.47Å; M388-F397 VanDerWaalsContact CA-O 3.31Å; M388-F397 WeakPolarHBondContact CA-O 3.33Å; M388-I398 HydrophobicContact CG-CG1 4.33Å; M388-I398 HydrophobicContact CG-CG2 4.3Å; M388-I398 HydrophobicContact SD-CG1 4.38Å
389V94.5Very high89.8Confident24 Ų2431.7 Ų31.715%0.14517%0.168CC..EExtended strand (participates in β ladder)trans-146140.1174.366.50000111.5C29 L42 L391 F397C29-V389 HydrophobicContact CB-CG1 4.12Å; L42-V389 HydrophobicContact CD1-CG1 3.83Å; V389-L391 HydrophobicContact CG1-CD2 4.39Å; V389-F397 HydrophobicContact CG1-CB 3.98Å; V389-F397 HydrophobicContact CG1-CD1 4.22Å; V389-F397 PolarHBondContact N-O 3.09Å; V389-F397 PolarHBondContact O-N 3.33Å
390L93.5Very high89.9Confident35 Ų3530.5 Ų30.518%0.18316%0.161CC..EExtended strand (participates in β ladder)trans-85.8132.3177.3-172.767.4000110.5V341 L343 I410V341-L390 HydrophobicContact CG2-CB 4.36Å; L343-L390 HydrophobicContact CD2-CD1 4Å; L343-L390 HydrophobicContact CD2-CD2 4.3Å; L390-I410 HydrophobicContact CD1-CD1 3.39Å
391L91.1Very high90Very high2 Ų233.6 Ų33.61%0.0117%0.166CC..EExtended strand (participates in β ladder)trans-116.7110.4-176.3-56.6169.4000108.9Y31 L42 V55 V389 S393 K394 Y395 F397 L407Y31-L391 HydrophobicContact CD1-CD2 3.83Å; Y31-L391 HydrophobicContact CD2-CD2 3.27Å; Y31-L391 HydrophobicContact CE1-CB 4.35Å; Y31-L391 HydrophobicContact CE1-CD2 4.03Å; Y31-L391 HydrophobicContact CE2-CD2 3.51Å; Y31-L391 HydrophobicContact CG-CD2 3.46Å; Y31-L391 VanDerWaalsContact CG-CD2 3.46Å; L42-L391 HydrophobicContact CB-CD2 4.5Å; L42-L391 HydrophobicContact CD1-CD2 4.44Å; V55-L391 HydrophobicContact CG2-CD1 4.27Å; V389-L391 HydrophobicContact CG1-CD2 4.39Å; L391-S393 PolarHBondContact O-N 3.37Å; L391-K394 PolarHBondContact O-N 3.39Å; L391-Y395 WeakPolarHBondContact CB-O 3.45Å; L391-Y395 PolarHBondContact N-O 3.22Å; L391-Y395 PolarHBondContact O-N 3.37Å; L391-F397 HydrophobicContact CD1-CB 3.98Å; L391-L407 HydrophobicContact CD1-CD1 3.45Å; L391-L407 VanDerWaalsContact CD1-CD1 3.45Å
392E79.2Confident89.9Confident125 Ų12535.5 Ų35.558%0.58417%0.174SC*.THydrogen-bonded Turntrans48.827.4177.8-69.3176.917900115.1Y31 K394Y31-E392 HydrophobicContact CE1-CG 4.1Å; Y31-E392 WeakPolarHBondContact OH-CG 3.48Å; Y31-E392 PolarHBondContact OH-OE1 3.02Å; E392-K394 PolarHBondContact O-N 2.92Å
393S74.6Confident89.8Confident91 Ų9135.4 Ų35.464%0.63617%0.173SC*.THydrogen-bonded Turntrans56.89.2-174.3-54.20000115.8L391L391-S393 PolarHBondContact O-N 3.37Å
394K85.2Confident89.9Confident139 Ų13935.4 Ų35.460%0.60417%0.173SC*.THydrogen-bonded Turntrans-115.3-22.7-178.9-71-178.6179.2178.90113.8L391 E392 I410L391-K394 PolarHBondContact O-N 3.39Å; E392-K394 PolarHBondContact O-N 2.92Å; K394-I410 PolarHBondContact O-N 2.84Å
395Y92.2Very high90.1Very high40 Ų4034.7 Ų34.716%0.15717%0.169CC..EExtended strand (participates in β ladder)trans-130.3149.7177.4-49.5-89.1000111.5T63 L391 L407 M408 K409T63-Y395 HydrophobicContact CG2-CE1 4.26Å; T63-Y395 PolarHBondContact OG1-OH 3.22Å; L391-Y395 WeakPolarHBondContact CB-O 3.45Å; L391-Y395 PolarHBondContact N-O 3.22Å; L391-Y395 PolarHBondContact O-N 3.37Å; Y395-L407 HydrophobicContact CG-CD1 4.47Å; Y395-M408 CarbonylContact C-O 3.58Å; Y395-M408 WeakPolarHBondContact CA-O 3.38Å; Y395-M408 WeakPolarHBondContact CB-O 3.36Å; Y395-K409 HydrophobicContact CD1-CB 3.99Å; Y395-K409 HydrophobicContact CD1-CG 4.45Å; Y395-K409 HydrophobicContact CE1-CB 4.05Å; Y395-K409 HydrophobicContact CE1-CD 4.43Å; Y395-K409 HydrophobicContact CE1-CG 4.24Å
396L93.9Very high90Very high0 Ų034.3 Ų34.30%017%0.166CC..EExtended strand (participates in β ladder)trans-115.7123.2173179.167.8000108.1V341 L349 M388 I398 M408 I410 F527V341-L396 HydrophobicContact CG1-CD1 4.09Å; L349-L396 HydrophobicContact CD2-CD1 4.45Å; L349-L396 HydrophobicContact CD2-CD2 3.59Å; M388-L396 HydrophobicContact CB-CD1 4.47Å; L396-I398 HydrophobicContact CD2-CD1 3.87Å; L396-I398 HydrophobicContact CD2-CG1 3.92Å; L396-I398 HydrophobicContact CG-CD1 4.42Å; L396-I398 HydrophobicContact CG-CG1 3.93Å; L396-M408 PolarHBondContact N-O 3.23Å; L396-M408 PolarHBondContact O-N 3.45Å; L396-I410 HydrophobicContact CB-CD1 4.02Å; L396-I410 HydrophobicContact CB-CG1 4.07Å; L396-F527 HydrophobicContact CD2-CD1 4.36Å; L396-F527 HydrophobicContact CD2-CE1 4.07Å
397F95.9Very high90.1Very high0 Ų032.4 Ų32.40%016%0.157CC..EExtended strand (participates in β ladder)trans-93.6128.5166.5178-106000109.8V26 C29 L42 I44 F65 M388 V389 L391 V406 L533V26-F397 HydrophobicContact CG1-CE1 4.36Å; C29-F397 HydrophobicContact CB-CD1 3.78Å; C29-F397 HydrophobicContact CB-CE1 3.78Å; L42-F397 HydrophobicContact CD1-CB 4.45Å; L42-F397 HydrophobicContact CD1-CD1 3.96Å; L42-F397 HydrophobicContact CD1-CG 4.23Å; L42-F397 HydrophobicContact CD2-CB 4.34Å; L42-F397 HydrophobicContact CD2-CD1 4.24Å; L42-F397 HydrophobicContact CD2-CD2 3.94Å; L42-F397 HydrophobicContact CD2-CE2 4.29Å; L42-F397 HydrophobicContact CD2-CG 3.9Å; I44-F397 HydrophobicContact CG2-CE1 3.76Å; I44-F397 HydrophobicContact CG2-CZ 3.98Å; F65-F397 HydrophobicContact CE1-CD2 4.09Å; F65-F397 HydrophobicContact CE1-CE2 4.25Å; F65-F397 AromaticContact CZ-CD2 3.72Å; F65-F397 HydrophobicContact CZ-CD2 3.72Å; F65-F397 AromaticContact CZ-CE2 3.71Å; F65-F397 HydrophobicContact CZ-CE2 3.71Å; M388-F397 VanDerWaalsContact CA-O 3.31Å; M388-F397 WeakPolarHBondContact CA-O 3.33Å; V389-F397 HydrophobicContact CG1-CB 3.98Å; V389-F397 HydrophobicContact CG1-CD1 4.22Å; V389-F397 PolarHBondContact N-O 3.09Å; V389-F397 PolarHBondContact O-N 3.33Å; L391-F397 HydrophobicContact CD1-CB 3.98Å; F397-V406 WeakPolarHBondContact CD2-O 3.47Å; F397-L533 HydrophobicContact CE2-CD1 4.16Å; F397-L533 HydrophobicContact CZ-CD1 4.24Å
398I94.5Very high89.9Confident0 Ų032 Ų320%015%0.154CC..EExtended strand (participates in β ladder)trans-115.9105.1173.9-54.9179.7000108.6L357 A382 V383 P385 M388 L396 S405 V406 M408L357-I398 HydrophobicContact CD2-CD1 4.47Å; A382-I398 HydrophobicContact CB-CD1 3.72Å; V383-I398 HydrophobicContact CG2-CB 4.1Å; V383-I398 HydrophobicContact CG2-CG2 3.56Å; P385-I398 HydrophobicContact CB-CG2 3.7Å; M388-I398 HydrophobicContact CG-CG1 4.33Å; M388-I398 HydrophobicContact CG-CG2 4.3Å; M388-I398 HydrophobicContact SD-CG1 4.38Å; L396-I398 HydrophobicContact CD2-CD1 3.87Å; L396-I398 HydrophobicContact CD2-CG1 3.92Å; L396-I398 HydrophobicContact CG-CD1 4.42Å; L396-I398 HydrophobicContact CG-CG1 3.93Å; I398-S405 CarbonylContact O-C 3.56Å; I398-S405 WeakPolarHBondContact O-CA 3.42Å; I398-S405 WeakPolarHBondContact O-CB 3.25Å; I398-V406 HydrophobicContact CB-CG2 4.02Å; I398-V406 PolarHBondContact N-O 3.14Å; I398-V406 PolarHBondContact O-N 3.47Å; I398-M408 HydrophobicContact CD1-SD 3.81Å
399G93.7Very high89.7Confident0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-79.8127.8170.900000110.5H386 C387H386-G399 PolarHBondContact N-O 2.87Å; C387-G399 PolarHBondContact N-O 3.39Å; C387-G399 VanDerWaalsContact N-O 3.09Å; C387-G399 PolarHBondContact O-N 3.44Å
400S91.4Very high89.5Confident0 Ų034.1 Ų34.10%016%0.161CC..  trans-122.5156.1177.3-165.40000112.1V26 P384 F402 C403 S405V26-S400 PolarHBondContact N-O 2.78Å; P384-S400 VanDerWaalsContact O-CB 3.31Å; P384-S400 WeakPolarHBondContact O-CB 3.31Å; P384-S400 PolarHBondContact O-OG 2.63Å; S400-F402 PolarHBondContact OG-N 3.36Å; S400-C403 PolarHBondContact OG-N 3.14Å; S400-S405 PolarHBondContact N-OG 3.18Å; S400-S405 PolarHBondContact O-OG 3.3Å
401R88.2Confident89.3Confident84 Ų8435.4 Ų35.432%0.31717%0.168SC..SBendtrans-112-8.7170.2-54.3-168.2-53.2-168.2-2.3113.4A25 V26 D27 H386 N535 G537A25-R401 HydrophobicContact CB-CB 4.02Å; A25-R401 HydrophobicContact CB-CG 4.14Å; V26-R401 WeakPolarHBondContact O-CG 3.23Å; D27-R401 WeakPolarHBondContact OD1-CD 3.46Å; D27-R401 IonicContact OD1-CZ 3.59Å; D27-R401 IonicContact OD1-NE 3.98Å; D27-R401 IonicContact OD1-NH1 2.68Å; D27-R401 PolarHBondContact OD1-NH1 3.1Å; H386-R401 HydrophobicContact CB-CG 3.89Å; H386-R401 PolarHBondContact CD2-NE 2.77Å; H386-R401 PolarHBondContact CE1-NH2 3.2Å; H386-R401 PolarHBondContact NE2-NH1 3.47Å; R401-N535 PolarHBondContact O-ND2 2.61Å; R401-G537 VanDerWaalsContact O-O 3.06Å
402F83.7Confident89.1Confident104 Ų10444.1 Ų44.146%0.45620%0.202SC..SBendtrans-116.5-9.9-176.7-61.5-70.4000113.3S400 P538 R580S400-F402 PolarHBondContact OG-N 3.36Å; F402-P538 HydrophobicContact CD1-CG 4.34Å; F402-R580 WeakPolarHBondContact O-CD 3.29Å; F402-R580 VanDerWaalsContact O-CG 3.25Å; F402-R580 WeakPolarHBondContact O-CG 3.4Å; F402-R580 PolarHBondContact O-NE 3.35Å
403C84.6Confident89.4Confident1 Ų140.8 Ų40.81%0.00719%0.193CC..SBendtrans-139178.9172.2-61.60000109V383 P384 S400 N535 F582V383-C403 HydrophobicContact CB-CB 4.01Å; V383-C403 HydrophobicContact CG1-CB 4.04Å; P384-C403 WeakPolarHBondContact CD-SG 3.49Å; S400-C403 PolarHBondContact OG-N 3.14Å; C403-N535 WeakPolarHBondContact O-CB 3.48Å; C403-N535 PolarHBondContact O-ND2 3.36Å; C403-F582 VanDerWaalsContact SG-CD1 3.51Å
404D89.5Confident89.8Confident1 Ų141.5 Ų41.51%0.00519%0.189CC..  trans-54.5149161-65.7-13.9000110.2L533 I534 N535 V591D404-L533 WeakPolarHBondContact CA-O 3.17Å; D404-I534 WeakPolarHBondContact OD1-CA 3.41Å; D404-N535 PolarHBondContact OD1-N 3.17Å; D404-V591 HydrophobicContact CB-CG1 4.28Å
405S91.9Very high89.5Confident0 Ų036.2 Ų36.20%017%0.167CC..EExtended strand (participates in β ladder)trans-91.1137174.1-600000109.7V26 I398 S400 R532 L533V26-S405 WeakPolarHBondContact CG2-OG 3.44Å; I398-S405 CarbonylContact O-C 3.56Å; I398-S405 WeakPolarHBondContact O-CA 3.42Å; I398-S405 WeakPolarHBondContact O-CB 3.25Å; S400-S405 PolarHBondContact N-OG 3.18Å; S400-S405 PolarHBondContact O-OG 3.3Å; S405-R532 CarbonylContact O-C 3.43Å; S405-R532 WeakPolarHBondContact O-CA 3.43Å; S405-L533 PolarHBondContact N-O 2.85Å; S405-L533 PolarHBondContact O-N 3.13Å
406V91.8Very high88.8Confident1 Ų134.7 Ų34.71%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-119.5142.6-168.7-62.90000113.1V383 F397 I398 M408 V529V383-V406 HydrophobicContact CG1-CG1 3.92Å; V383-V406 HydrophobicContact CG1-CG2 4.27Å; V383-V406 HydrophobicContact CG2-CG2 3.82Å; F397-V406 WeakPolarHBondContact CD2-O 3.47Å; I398-V406 HydrophobicContact CB-CG2 4.02Å; I398-V406 PolarHBondContact N-O 3.14Å; I398-V406 PolarHBondContact O-N 3.47Å; V406-M408 HydrophobicContact CG2-CG 3.94Å; V406-M408 HydrophobicContact CG2-SD 4.29Å; V406-V529 HydrophobicContact CB-CG1 4.39Å; V406-V529 HydrophobicContact CG1-CG1 4.3Å
407L93.2Very high87.9Confident0 Ų034.8 Ų34.80%016%0.163CC..EExtended strand (participates in β ladder)trans-90.2128.6157.7-173.361.6000108.1V55 T63 F65 L391 Y395 V530 D531V55-L407 HydrophobicContact CG1-CD2 4.12Å; V55-L407 HydrophobicContact CG2-CD2 4.49Å; T63-L407 HydrophobicContact CG2-CD2 4.37Å; F65-L407 HydrophobicContact CE1-CB 4.24Å; F65-L407 HydrophobicContact CE1-CD2 4.37Å; F65-L407 HydrophobicContact CE2-CB 4.05Å; F65-L407 HydrophobicContact CZ-CB 3.61Å; F65-L407 HydrophobicContact CZ-CD2 4.47Å; F65-L407 HydrophobicContact CZ-CG 4.46Å; L391-L407 HydrophobicContact CD1-CD1 3.45Å; L391-L407 VanDerWaalsContact CD1-CD1 3.45Å; Y395-L407 HydrophobicContact CG-CD1 4.47Å; L407-V530 HydrophobicContact CB-CB 4.44Å; L407-V530 HydrophobicContact CD2-CB 4.38Å; L407-V530 HydrophobicContact CD2-CG1 3.93Å; L407-V530 HydrophobicContact CG-CB 4.25Å; L407-V530 HydrophobicContact CG-CG1 4.34Å; L407-V530 PolarHBondContact O-N 2.93Å; L407-D531 HydrophobicContact CB-CB 4.23Å; L407-D531 HydrophobicContact CD2-CB 4.43Å; L407-D531 PolarHBondContact N-O 3.07Å; L407-D531 PolarHBondContact O-N 2.66Å
408M90.7Very high86.8Confident4 Ų435.8 Ų35.82%0.0217%0.168CC..EExtended strand (participates in β ladder)trans-118.5136.8173-53.1-174.989.100109.9A382 Y395 L396 I398 V406 F527 K528 V529A382-M408 HydrophobicContact CB-CE 3.96Å; A382-M408 HydrophobicContact CB-SD 3.67Å; Y395-M408 CarbonylContact C-O 3.58Å; Y395-M408 WeakPolarHBondContact CA-O 3.38Å; Y395-M408 WeakPolarHBondContact CB-O 3.36Å; L396-M408 PolarHBondContact N-O 3.23Å; L396-M408 PolarHBondContact O-N 3.45Å; I398-M408 HydrophobicContact CD1-SD 3.81Å; V406-M408 HydrophobicContact CG2-CG 3.94Å; V406-M408 HydrophobicContact CG2-SD 4.29Å; M408-F527 HydrophobicContact CE-CB 3.58Å; M408-F527 HydrophobicContact SD-CB 4.14Å; M408-K528 CarbonylContact C-O 3.6Å; M408-K528 WeakPolarHBondContact CA-O 3.25Å; M408-V529 HydrophobicContact CE-CG2 3.84Å; M408-V529 HydrophobicContact CG-CG2 4.39Å
409K90.5Very high85.3Confident76 Ų7638.1 Ų38.133%0.3319%0.187SC..EExtended strand (participates in β ladder)trans-75.4137.4162.3179.2165.3176.6-910108.6Y395 D411 F527 K528 V530Y395-K409 HydrophobicContact CD1-CB 3.99Å; Y395-K409 HydrophobicContact CD1-CG 4.45Å; Y395-K409 HydrophobicContact CE1-CB 4.05Å; Y395-K409 HydrophobicContact CE1-CD 4.43Å; Y395-K409 HydrophobicContact CE1-CG 4.24Å; K409-D411 IonicContact NZ-OD1 3.97Å; K409-D411 PolarHBondContact NZ-OD1 2.93Å; K409-D411 IonicContact NZ-OD2 3.19Å; K409-D411 PolarHBondContact NZ-OD2 3.08Å; K409-F527 WeakPolarHBondContact O-CA 3.45Å; K409-K528 PolarHBondContact N-O 3.08Å; K409-K528 PolarHBondContact O-N 2.74Å; K409-V530 HydrophobicContact CB-CG2 3.62Å
410I90.4Very high83.9Confident13 Ų1344.3 Ų44.37%0.06722%0.221CC..EExtended strand (participates in β ladder)trans-101.9119.1172.7-46.5175.2000106.9L390 K394 L396 Y525 F527L390-I410 HydrophobicContact CD1-CD1 3.39Å; K394-I410 PolarHBondContact O-N 2.84Å; L396-I410 HydrophobicContact CB-CD1 4.02Å; L396-I410 HydrophobicContact CB-CG1 4.07Å; I410-Y525 HydrophobicContact CG2-CD1 3.49Å; I410-Y525 VanDerWaalsContact CG2-CD1 3.49Å; I410-Y525 HydrophobicContact CG2-CE1 4.21Å; I410-Y525 HydrophobicContact CG2-CG 4.18Å; I410-F527 HydrophobicContact CG1-CD1 4.15Å; I410-F527 HydrophobicContact CG1-CE1 4.03Å; I410-F527 HydrophobicContact CG2-CD1 4.43Å; I410-F527 HydrophobicContact CG2-CE1 4.05Å
411D89.1Confident82.6Confident62 Ų6244.8 Ų44.833%0.33223%0.226SC..EExtended strand (participates in β ladder)trans-106.6159.3162.5-70.2-64.9000108.6K409 Y525 S526K409-D411 IonicContact NZ-OD1 3.97Å; K409-D411 PolarHBondContact NZ-OD1 2.93Å; K409-D411 IonicContact NZ-OD2 3.19Å; K409-D411 PolarHBondContact NZ-OD2 3.08Å; D411-Y525 CarbonylContact O-C 3.15Å; D411-Y525 WeakPolarHBondContact O-CA 3.47Å; D411-S526 PolarHBondContact N-O 3.28Å; D411-S526 PolarHBondContact O-N 2.96Å
412Y86.7Confident81.6Confident185 Ų18547.4 Ų47.473%0.72524%0.239SC*.EExtended strand (participates in β ladder)trans-134.2148.7-173.563.3-94.3000112.3N524Y412-N524 WeakPolarHBondContact CA-O 3.49Å
413S86.1Confident80.9Confident56 Ų5649 Ų4939%0.39225%0.248SC..EExtended strand (participates in β ladder)trans-135.5158.5175.660.10000110.5N524S413-N524 PolarHBondContact N-O 3.28Å; S413-N524 PolarHBondContact O-N 3.34Å
414L83.5Confident80.2Confident105 Ų10550.5 Ų50.555%0.5526%0.257SS..EExtended strand (participates in β ladder)trans-88.3140.3169.4-67.9172.2000109.3V523L414-V523 HydrophobicContact CD2-CG2 4.32Å
415L78.1Confident78.8Confident29 Ų2956.3 Ų56.315%0.15229%0.288CS..EExtended strand (participates in β ladder)trans-134.8120.9-178.7-16678.2000108.6V417 E423 E521 I522 N524L415-V417 HydrophobicContact CD2-CG1 3.91Å; L415-V417 HydrophobicContact CG-CG1 4.22Å; L415-E423 HydrophobicContact CD1-CG 3.99Å; L415-E423 HydrophobicContact CD2-CG 3.93Å; L415-E423 HydrophobicContact CG-CG 4.08Å; L415-E521 WeakPolarHBondContact O-CA 3.44Å; L415-I522 PolarHBondContact N-O 2.98Å; L415-I522 PolarHBondContact O-N 2.67Å; L415-N524 HydrophobicContact CB-CB 3.94Å; L415-N524 HydrophobicContact CD2-CB 4.2Å
416C78.3Confident77.2Confident7 Ų760.3 Ų60.35%0.04731%0.307CS..EExtended strand (participates in β ladder)trans-88.3124.9175-144.10000110V424 L429C416-V424 PolarHBondContact O-N 2.94Å; C416-L429 HydrophobicContact CB-CD1 4.32Å; C416-L429 WeakPolarHBondContact SG-CD1 3.45Å
417V74.8Confident75.3Confident3 Ų368.3 Ų68.32%0.01834%0.344CS..EExtended strand (participates in β ladder)trans-134.4146.1-174.2-81.20000111.9L375 L415 K422 E423 Y519 R520 I522L375-V417 HydrophobicContact CD2-CG2 4.02Å; L415-V417 HydrophobicContact CD2-CG1 3.91Å; L415-V417 HydrophobicContact CG-CG1 4.22Å; V417-K422 VanDerWaalsContact CA-O 3.25Å; V417-K422 WeakPolarHBondContact CA-O 3.39Å; V417-E423 HydrophobicContact CG1-CG 4.21Å; V417-Y519 CarbonylContact O-C 3.5Å; V417-Y519 WeakPolarHBondContact O-CA 3.46Å; V417-R520 PolarHBondContact N-O 2.69Å; V417-R520 PolarHBondContact O-N 3.4Å; V417-I522 HydrophobicContact CG2-CB 4.1Å; V417-I522 HydrophobicContact CG2-CD1 3.69Å; V417-I522 HydrophobicContact CG2-CG1 3.88Å
418D72.8Confident73.3Confident20 Ų2073.4 Ų73.411%0.10737%0.371CS..EExtended strand (participates in β ladder)trans-75.216917287-21.3000112.2N420 G421 K422 V424 I518 Y519D418-N420 PolarHBondContact O-N 3.25Å; D418-N420 VanDerWaalsContact OD1-C 3.29Å; D418-N420 WeakPolarHBondContact OD1-CA 3.43Å; D418-N420 WeakPolarHBondContact OD1-CB 3.03Å; D418-N420 PolarHBondContact OD1-N 3.04Å; D418-N420 PolarHBondContact OD2-ND2 2.83Å; D418-G421 PolarHBondContact O-N 3.49Å; D418-G421 PolarHBondContact OD1-N 3.03Å; D418-K422 PolarHBondContact N-O 2.88Å; D418-K422 PolarHBondContact OD1-N 2.85Å; D418-V424 HydrophobicContact CB-CG2 4.41Å; D418-I518 CarbonylContact C-O 3.57Å; D418-I518 WeakPolarHBondContact CA-O 3.47Å; D418-Y519 HydrophobicContact CB-CD1 3.85Å; D418-Y519 HydrophobicContact CB-CE1 3.92Å
419A63.3Low71.3Confident49 Ų4975.6 Ų75.641%0.40538%0.382SS..THydrogen-bonded Turntrans-60.5-9.6176.500000114.9I518A419-I518 PolarHBondContact N-O 2.78Å
420N63.8Low69.1Low131 Ų13178.6 Ų78.670%0.70140%0.402SS*.THydrogen-bonded Turntrans-102.4-4.5176.3-50.5-69.3000113D418D418-N420 PolarHBondContact O-N 3.25Å; D418-N420 VanDerWaalsContact OD1-C 3.29Å; D418-N420 WeakPolarHBondContact OD1-CA 3.43Å; D418-N420 WeakPolarHBondContact OD1-CB 3.03Å; D418-N420 PolarHBondContact OD1-N 3.04Å; D418-N420 PolarHBondContact OD2-ND2 2.83Å
421G63.8Low66.9Low10 Ų1085.6 Ų85.610%0.10344%0.435CS..SBendtrans8325.5-179.100000116.2D418D418-G421 PolarHBondContact O-N 3.49Å; D418-G421 PolarHBondContact OD1-N 3.03Å
422K67.3Low64.3Low138 Ų13887.5 Ų87.560%0.645%0.452SS*.  trans-90.3135.4166.7-68.5178.8179.6173.80110.2V417 D418V417-K422 VanDerWaalsContact CA-O 3.25Å; V417-K422 WeakPolarHBondContact CA-O 3.39Å; D418-K422 PolarHBondContact N-O 2.88Å; D418-K422 PolarHBondContact OD1-N 2.85Å
423E69.9Low61.8Low137 Ų13783.9 Ų83.964%0.6445%0.454SS*.BIsolated β-bridgetrans-63.4140.6169.9-66.6174.3169.800110.2L415 V417L415-E423 HydrophobicContact CD1-CG 3.99Å; L415-E423 HydrophobicContact CD2-CG 3.93Å; L415-E423 HydrophobicContact CG-CG 4.08Å; V417-E423 HydrophobicContact CG1-CG 4.21Å
424V68.5Low59Low33 Ų3384.2 Ų84.220%0.247%0.467CS..  trans-133.4124.3179.2-177.80000108.5C416 D418 H426 Y519C416-V424 PolarHBondContact O-N 2.94Å; D418-V424 HydrophobicContact CB-CG2 4.41Å; V424-H426 PolarHBondContact O-N 3.34Å; V424-Y519 HydrophobicContact CB-CD1 4.4Å; V424-Y519 HydrophobicContact CG1-CD1 4.44Å; V424-Y519 HydrophobicContact CG1-CE1 4.4Å; V424-Y519 HydrophobicContact CG2-CD1 3.87Å; V424-Y519 HydrophobicContact CG2-CE1 3.9Å
425D60.5Low56.6Low123 Ų12385.9 Ų85.966%0.65848%0.481SS*.  trans-58.3127.1178.8-79.3-55.8000111.7Q427 L428D425-Q427 PolarHBondContact O-N 2.88Å; D425-L428 PolarHBondContact O-N 2.86Å
426H58Low54.1Low85 Ų8591.7 Ų91.739%0.39451%0.512SS..THydrogen-bonded Turntrans-53-24179-88.2-90.7000113.7V424 L428 E521V424-H426 PolarHBondContact O-N 3.34Å; H426-L428 VanDerWaalsContact C-N 3.32Å; H426-L428 PolarHBondContact O-N 2.73Å; H426-E521 IonicContact CE1-OE1 2.78Å; H426-E521 PolarHBondContact CE1-OE1 2.82Å
427Q52.4Low51.9Low168 Ų16899.4 Ų99.479%0.78555%0.553SS**THydrogen-bonded Turntrans-69.4-25.6-179.7-59.2-172.57.600113.5D425D425-Q427 PolarHBondContact O-N 2.88Å
428L50Low49.6Very low107 Ų107105.1 Ų105.156%0.5659%0.588SS**THydrogen-bonded Turntrans-78.3-27.2-177.9-70169.4000113.2D425 H426 N430 Q431D425-L428 PolarHBondContact O-N 2.86Å; H426-L428 VanDerWaalsContact C-N 3.32Å; H426-L428 PolarHBondContact O-N 2.73Å; L428-N430 VanDerWaalsContact C-N 3.27Å; L428-N430 PolarHBondContact O-N 3.4Å; L428-Q431 PolarHBondContact O-N 3.01Å
429L49.9Very low47.6Very low51 Ų51111.4 Ų111.427%0.26762%0.621SS.*G310 helixtrans-66.4-25.4-175.9-79.2155.3000113.9C416 Q431 S432 Y519C416-L429 HydrophobicContact CB-CD1 4.32Å; C416-L429 WeakPolarHBondContact SG-CD1 3.45Å; L429-Q431 VanDerWaalsContact C-N 3.28Å; L429-Q431 PolarHBondContact O-N 3.27Å; L429-S432 PolarHBondContact O-OG 3.39Å; L429-Y519 HydrophobicContact CD2-CD2 3.53Å; L429-Y519 HydrophobicContact CD2-CE2 4.32Å; L429-Y519 HydrophobicContact CD2-CG 3.94Å
430N45Very low45.9Very low138 Ų138117.4 Ų117.474%0.73864%0.638SS**G310 helixtrans-81.2-0.3-177.9-72.2-23.5000114.3L428L428-N430 VanDerWaalsContact C-N 3.27Å; L428-N430 PolarHBondContact O-N 3.4Å
431Q43Very low44.3Very low161 Ų161118.4 Ų118.475%0.75264%0.643SS**G310 helixtrans-100.8-12.2-178.4-61.8-169.66.100114.2L428 L429L428-Q431 PolarHBondContact O-N 3.01Å; L429-Q431 VanDerWaalsContact C-N 3.28Å; L429-Q431 PolarHBondContact O-N 3.27Å
432S35.8Very low42.5Very low101 Ų101122.6 Ų122.671%0.70667%0.671SS**SBendtrans-91.41-174.247.10000116L429L429-S432 PolarHBondContact O-OG 3.39Å
433S32.7Very low40.8Very low110 Ų110125 Ų12577%0.76968%0.684SS**  trans-107.768179.160.40000112.1
434G26.8Very low38.7Very low63 Ų63125.3 Ų125.365%0.64969%0.69SS**  trans-142.145.5-163.800000116.9
435T33.1Very low37Very low140 Ų140129.6 Ų129.686%0.85972%0.716SS**  trans-115.889.3176.655.30000113.5
436N26.9Very low35.4Very low150 Ų150130.6 Ų130.680%0.80272%0.721SS**  trans20.8109.8150.6-62.6-28.8000118.8
437N32.2Very low34.2Very low170 Ų170129.9 Ų129.991%0.90974%0.737SS**  trans-142.1124.9137.2-112.3-38.7000110.4
438T27Very low33.2Very low122 Ų122131.8 Ų131.875%0.74874%0.743SS**  trans-94.4129.8-17451.90000111.7
439L30.2Very low31.8Very low152 Ų152131.5 Ų131.580%0.79675%0.75SS**  trans170.4125.3130.6-94.8157000111.7
440K28Very low30.9Very low175 Ų175136.4 Ų136.476%0.76178%0.775SS**  trans70145.1160-64.8-173179.4-172.70117.5
441D30.3Very low30Very low152 Ų152134.6 Ų134.681%0.81377%0.769SS**  cis-125.2176.5-5.5-86.9-45.4000110.7
442S25.6Very low29.2Very low98 Ų98134.7 Ų134.769%0.68577%0.769SS**  trans-122.6131.5-161.5590000115.6
443E30.6Very low28.9Very low188 Ų188136.7 Ų136.788%0.87977%0.772SS**  trans-166.6121.4150.6-106161.2-155.900104.8
444L26.7Very low28.7Very low144 Ų144138.9 Ų138.975%0.75478%0.775SS**  cis55.1123.445.4-61.2170.7000110.7
445V32.4Very low28.7Very low123 Ų123140.7 Ų140.775%0.74578%0.778SS**  cis-145.8154.244165.60000113.4
446D27.6Very low28.4Very low144 Ų144141.1 Ų141.177%0.7778%0.775SS**  trans-11.4153.6157.7-42.3-34.1000120.2
447G31.4Very low28.4Very low71 Ų71142.9 Ų142.973%0.73278%0.778SS**  cis145.3-157.1-0.900000114
448K31.4Very low28.4Very low207 Ų207142.2 Ų142.290%0.977%0.773SS**  trans80.796.3177.3-64-171.3174.3-176.10119.3
449S21.9Very low28.5Very low102 Ų102141.4 Ų141.471%0.71377%0.769SS**  trans-67.4159.1137.9520000112.4
450I30.4Very low28.3Very low154 Ų154140.7 Ų140.779%0.7977%0.767SS**  trans178.6121.8145.6-94.4153.8000106
451V26.7Very low28.3Very low100 Ų100141.7 Ų141.761%0.60677%0.771SS**  cis80.1126.545172.80000110.6
452E24.9Very low28.1Very low163 Ų163140.3 Ų140.376%0.76277%0.772SS**  cis-157.6-151.9-6.4-122.4155.4-150.600108.7
453D29.6Very low28.4Very low143 Ų143140.8 Ų140.877%0.76577%0.772SS**  trans77.8100.6172.9-49.1-9.9000115
454D28.2Very low28.1Very low156 Ų156143.6 Ų143.683%0.83478%0.775SS**  78.9137.366.1-73.3-4000113.3
455S28Very low28.4Very low101 Ų101144 Ų14471%0.70678%0.776SS**  cis-149.1168.4429.90000108.1
456D26.6Very low28.2Very low149 Ų149146.9 Ų146.980%0.79778%0.782SS**  -173.4-179.167.7-118-36.4000112.9
457E27.8Very low28Very low187 Ų187149.7 Ų149.787%0.87479%0.79SS**  trans83.8141.5175.5-64.1-169.2176.100119.4
458I30.3Very low27.9Very low156 Ų156150.1 Ų150.180%0.880%0.795SS**  trans-145.2160.4-165-15.9178.6000105.5
459P31.1Very low27.6Very low104 Ų104148.4 Ų148.468%0.67579%0.79SS**  -148.6161.359.837.1-15.8000117
460N23.9Very low28Very low138 Ų138149.8 Ų149.874%0.73879%0.789SS**  trans-150.7119162-155.3-23.3000111.9
461K28.1Very low27.8Very low195 Ų195147.9 Ų147.985%0.84878%0.781SS**  trans62.8142.3173-73.5171.8-179170.40119.5
462C26.1Very low27.9Very low124 Ų124151.2 Ų151.284%0.83879%0.787SS**  trans-152.8164.3159.5-94.20000109
463P33.8Very low27.9Very low107 Ų107149.4 Ų149.470%0.69579%0.787SS**  cis-134.7178.4-34.837.1-22.1000112.6
464R22.7Very low27.9Very low247 Ų247151.1 Ų151.193%0.93279%0.794SS**  trans-129133.8149.1-98.1-172.9173.6177.3-1.5108.1
465I33.2Very low27.7Very low152 Ų152148 Ų14878%0.77979%0.785SS**  trans-92.7110.9178-64.6175.5000108.8
466E29.4Very low27.6Very low185 Ų185152.3 Ų152.386%0.86479%0.791SS**  trans46.2155.7140.7-55.9-169.2147.600122.2
467E22.9Very low27.6Very low202 Ų202149.8 Ų149.894%0.94479%0.785SS**  trans-107.3157.3-169.7-57.5-177.3128.900112.3
468G28.4Very low27.7Very low80 Ų80147.5 Ų147.583%0.82578%0.778SS**  trans-154.1111.917400000110.3
469E26.8Very low27.7Very low172 Ų172144.2 Ų144.280%0.80477%0.769SS**  trans-80.5172.7-163.8-61.3-173.1129.200116.4
470N28.5Very low27.6Very low130 Ų130146.4 Ų146.470%0.69577%0.77SS**  trans100.975.8144.4-69-56.8000121.2
471D26.7Very low27.8Very low115 Ų115144.7 Ų144.762%0.61577%0.769SS**  80.5153.9106.2-159.526000122.1
472K29.4Very low27.7Very low169 Ų169140.1 Ų140.174%0.73576%0.757SS**  trans70.178.4166.3-77.8150.6-173.1129.50120.2
473T24Very low27.8Very low125 Ų125143.2 Ų143.277%0.76776%0.757SS**  -5.2136.4126.835.50000119
474I29.6Very low27.5Very low179 Ų179148.7 Ų148.792%0.91876%0.763SS**  -138.6150.9119.2-103.5165000108
475S24.9Very low27.5Very low90 Ų90144 Ų14463%0.62976%0.757SS**  trans-129.6158.5-163.971.80000113.9
476K26.1Very low27.3Very low192 Ų192142.4 Ų142.484%0.83576%0.755SS**  trans28.3133.2140.2-54.5171.2-176.7176.30116.1
477S26.3Very low27.2Very low97 Ų97141.1 Ų141.168%0.67875%0.753SS**  165.9174.37448.20000110.2
478L30.5Very low27.2Very low139 Ų139138.2 Ų138.273%0.72874%0.744SS**  170148.7112.2-99.8101.3000107.6
479S29.7Very low27.1Very low87 Ų87142.6 Ų142.661%0.60874%0.743SS**  cis-179.2-173.6-13.561.80000108.5
480Q28.2Very low27Very low150 Ų150140.9 Ų140.970%0.70174%0.739SS**  cis-156.7173.4-0.7-135.3134.660.100106.7T482Q480-T482 WeakPolarHBondContact CG-OG1 3.23Å
481S28.6Very low26.9Very low101 Ų101142.2 Ų142.271%0.70675%0.746SS**  cis-149.913316.553.20000112.5
482T25.6Very low27Very low99 Ų99144.5 Ų144.561%0.60776%0.757SS**  65.3122.285.6-26.50000112.9Q480Q480-T482 WeakPolarHBondContact CG-OG1 3.23Å
483K29.3Very low26.9Very low189 Ų189142.6 Ų142.682%0.82275%0.753SS**  -151.5128.955.8-72.8166.4-177.4174.20110.9
484R25.9Very low27.1Very low222 Ų222141.4 Ų141.484%0.83875%0.75SS**  84.9116.887.9-76.7-171171.2176.2-3116.4
485N24.1Very low27Very low148 Ų148138.5 Ų138.579%0.79174%0.736SS**  trans6148.1145.9-43.129.2000118.2
486T27.2Very low27.2Very low120 Ų120141.7 Ų141.774%0.73675%0.747SS**  -164.3160.85446.30000115.5
487L27.6Very low27.8Very low157 Ų157139.4 Ų139.482%0.82274%0.738SS**  trans77.2158.6154.1-75.9164.4000119.3
488D24.1Very low28.9Very low141 Ų141143.3 Ų143.375%0.75474%0.739SS**  trans-78.2140.1-169.9-39.2-93000112.8
489E24.9Very low29.7Very low173 Ų173145.5 Ų145.581%0.80874%0.743SS**  trans-179.1130.1130.2-105.3179.4-161.400111.3
490N26.4Very low31.1Very low135 Ų135145.3 Ų145.372%0.72273%0.732SS**  trans57.7130.8155.1-54.2-44.1000121.1I492N490-I492 PolarHBondContact O-N 3.27Å
491D25.3Very low33Very low158 Ų158143.7 Ų143.785%0.84573%0.728SS**  trans-60.8117.6159-71.4-66.4000110.5I493D491-I493 VanDerWaalsContact C-N 3.35Å; D491-I493 PolarHBondContact O-N 3.21Å
492I28.3Very low35Very low163 Ų163147.2 Ų147.284%0.83673%0.733SS**  trans-81.987.4171-58.6-179.4000108.5N490 S494N490-I492 PolarHBondContact O-N 3.27Å; I492-S494 PolarHBondContact O-N 3.4Å
493I28Very low37.1Very low129 Ų129146.9 Ų146.966%0.66273%0.73SS**  trans-55.5129.1152.7-63175000107D491 D495D491-I493 VanDerWaalsContact C-N 3.35Å; D491-I493 PolarHBondContact O-N 3.21Å; I493-D495 WeakPolarHBondContact CG2-OD1 3.29Å; I493-D495 PolarHBondContact O-N 2.78Å
494S28.7Very low38.7Very low101 Ų101139.8 Ų139.871%0.70670%0.702SS**  trans-79.571.617961.50000111I492 N496I492-S494 PolarHBondContact O-N 3.4Å; S494-N496 PolarHBondContact O-N 2.8Å
495D26.9Very low40.7Very low118 Ų118130.9 Ų130.963%0.63167%0.672SS**  trans-67.873175.5-91.21.5000111.6I493 H497I493-D495 WeakPolarHBondContact CG2-OD1 3.29Å; I493-D495 PolarHBondContact O-N 2.78Å; D495-H497 PolarHBondContact O-N 2.78Å
496N29.5Very low42.9Very low157 Ų157132 Ų13284%0.8467%0.672SS**  trans-77.153.9159.6-81.7-28.6000110S494 Y498S494-N496 PolarHBondContact O-N 2.8Å; N496-Y498 PolarHBondContact O-N 3.48Å
497H38.7Very low44.7Very low144 Ų144132 Ų13267%0.66767%0.667SS**  trans-68.396.9167.7-99.6-63.4000108.6D495 K499D495-H497 PolarHBondContact O-N 2.78Å; H497-K499 PolarHBondContact O-N 2.9Å; H497-K499 VanDerWaalsContact O-N 3.13Å
498Y49.2Very low46.1Very low178 Ų178131.4 Ų131.470%0.69866%0.655SS**  trans-60.8115.1171-166.4-85.5000108.2N496 F500N496-Y498 PolarHBondContact O-N 3.48Å; Y498-F500 HydrophobicContact CD1-CD1 4.05Å; Y498-F500 HydrophobicContact CD1-CE1 4.15Å; Y498-F500 HydrophobicContact CE1-CD1 4.43Å; Y498-F500 PolarHBondContact O-N 2.85Å
499K48.3Very low48.2Very low186 Ų186126 Ų12681%0.80963%0.633SS**  trans-84.5101.5-176.8-162.7178.9-173.8-175.40108.4H497 D501H497-K499 PolarHBondContact O-N 2.9Å; H497-K499 VanDerWaalsContact O-N 3.13Å; K499-D501 PolarHBondContact O-N 2.92Å
500F58.7Low50.1Low83 Ų83125.5 Ų125.536%0.36463%0.631SS.*  trans-58130.1175.2-63.5-62.8000110.7Y498 D504 I512Y498-F500 HydrophobicContact CD1-CD1 4.05Å; Y498-F500 HydrophobicContact CD1-CE1 4.15Å; Y498-F500 HydrophobicContact CE1-CD1 4.43Å; Y498-F500 PolarHBondContact O-N 2.85Å; F500-D504 HydrophobicContact CB-CB 3.92Å; F500-D504 HydrophobicContact CD1-CB 3.91Å; F500-D504 HydrophobicContact CG-CB 4.33Å; F500-I512 HydrophobicContact CB-CD1 3.81Å; F500-I512 HydrophobicContact CB-CG1 4.45Å; F500-I512 HydrophobicContact CD1-CD1 3.82Å; F500-I512 HydrophobicContact CD2-CB 4.14Å; F500-I512 HydrophobicContact CD2-CD1 3.83Å; F500-I512 HydrophobicContact CD2-CG1 3.79Å; F500-I512 HydrophobicContact CE1-CD1 4.33Å; F500-I512 HydrophobicContact CE2-CB 3.96Å; F500-I512 HydrophobicContact CE2-CD1 4.33Å; F500-I512 HydrophobicContact CE2-CG1 4.15Å; F500-I512 WeakPolarHBondContact CE2-O 3.39Å; F500-I512 HydrophobicContact CG-CD1 3.55Å; F500-I512 HydrophobicContact CG-CG1 4.06Å; F500-I512 HydrophobicContact CZ-CB 4.34Å
501D68.5Low51.4Low116 Ų116122.2 Ų122.262%0.6262%0.618SS**  trans-81.7167.1173.9-79.8-30.7000110.4K499 V503 D504 V505K499-D501 PolarHBondContact O-N 2.92Å; D501-V503 PolarHBondContact O-N 3.03Å; D501-D504 PolarHBondContact N-OD2 2.96Å; D501-D504 WeakPolarHBondContact O-CB 3.34Å; D501-D504 PolarHBondContact O-N 2.73Å; D501-V505 PolarHBondContact O-N 3.19Å
502E69Low53.1Low175 Ų175116.3 Ų116.382%0.81859%0.586SS**Hα-helixtrans-54-31.6179.2-66.4-179.6141.600112.5V505 E506E502-V505 PolarHBondContact O-N 2.78Å; E502-E506 PolarHBondContact O-N 2.88Å
503V70.2Confident54.2Low91 Ų91113.7 Ų113.755%0.55257%0.573SS**Hα-helixtrans-68.9-34.2176.7-176.70000112.5D501 E506 L507D501-V503 PolarHBondContact O-N 3.03Å; V503-E506 PolarHBondContact O-N 3.06Å; V503-L507 HydrophobicContact CG1-CD1 3.95Å; V503-L507 VanDerWaalsContact O-CD1 3.31Å; V503-L507 WeakPolarHBondContact O-CD1 3.3Å; V503-L507 PolarHBondContact O-N 3.28Å
504D63.7Low55.3Low40 Ų40111.1 Ų111.121%0.21457%0.567CS.*Hα-helixtrans-70.1-38.8174.3-68.2-45.4000110.3F500 D501 L507 Y508 I512F500-D504 HydrophobicContact CB-CB 3.92Å; F500-D504 HydrophobicContact CD1-CB 3.91Å; F500-D504 HydrophobicContact CG-CB 4.33Å; D501-D504 PolarHBondContact N-OD2 2.96Å; D501-D504 WeakPolarHBondContact O-CB 3.34Å; D501-D504 PolarHBondContact O-N 2.73Å; D504-L507 PolarHBondContact O-N 2.87Å; D504-Y508 HydrophobicContact CB-CD2 4.31Å; D504-Y508 VanDerWaalsContact O-CD2 3.24Å; D504-Y508 WeakPolarHBondContact O-CD2 3.28Å; D504-Y508 PolarHBondContact O-N 3.25Å; D504-I512 HydrophobicContact CB-CD1 3.99Å
505V68.3Low56.4Low36 Ų36111 Ų11122%0.21856%0.564CS.*Hα-helixtrans-67.1-36.3175.7-175.40000111.2D501 E502 G509 E510 I512 L513D501-V505 PolarHBondContact O-N 3.19Å; E502-V505 PolarHBondContact O-N 2.78Å; V505-G509 WeakPolarHBondContact O-CA 3.39Å; V505-G509 PolarHBondContact O-N 2.85Å; V505-E510 HydrophobicContact CG1-CG 4.36Å; V505-I512 HydrophobicContact CG2-CD1 4.08Å; V505-I512 HydrophobicContact CG2-CG1 4.41Å; V505-L513 HydrophobicContact CG1-CD1 4.31Å; V505-L513 HydrophobicContact CG2-CD1 4.3Å; V505-L513 HydrophobicContact CG2-CD2 3.98Å; V505-L513 HydrophobicContact CG2-CG 4.29Å
506E69.1Low57.7Low171 Ų171110.9 Ų110.980%0.79957%0.57SS**Hα-helixtrans-66.6-35.3170.3-77.4-164.3138.700113.2E502 V503E502-E506 PolarHBondContact O-N 2.88Å; V503-E506 PolarHBondContact O-N 3.06Å
507L65.1Low58.9Low119 Ų119107 Ų10762%0.62355%0.554SS**Hα-helixtrans-78.3-38.9-179.6-104.293.6000114.2V503 D504V503-L507 HydrophobicContact CG1-CD1 3.95Å; V503-L507 VanDerWaalsContact O-CD1 3.31Å; V503-L507 WeakPolarHBondContact O-CD1 3.3Å; V503-L507 PolarHBondContact O-N 3.28Å; D504-L507 PolarHBondContact O-N 2.87Å
508Y56.6Low60.1Low145 Ų145105.2 Ų105.257%0.56955%0.549SS*.Hα-helixtrans-116.9-4.3-169.5-53.6-69.7000113.9D504 I512D504-Y508 HydrophobicContact CB-CD2 4.31Å; D504-Y508 VanDerWaalsContact O-CD2 3.24Å; D504-Y508 WeakPolarHBondContact O-CD2 3.28Å; D504-Y508 PolarHBondContact O-N 3.25Å; Y508-I512 VanDerWaalsContact CB-CG2 3.47Å; Y508-I512 HydrophobicContact CG-CG2 4.47Å
509G69.6Low61Low29 Ų29101.3 Ų101.330%0.29953%0.534SS..  trans80.3165.6177.800000114.5V505 S511 I512V505-G509 WeakPolarHBondContact O-CA 3.39Å; V505-G509 PolarHBondContact O-N 2.85Å; G509-S511 PolarHBondContact O-N 2.88Å; G509-I512 PolarHBondContact O-N 2.85Å
510E64.6Low62Low161 Ų16195.7 Ų95.775%0.75251%0.507SS*.G310 helixtrans-57.3-20.2-178.6-61.5-177.9155.100113.6V505 I512 L513V505-E510 HydrophobicContact CG1-CG 4.36Å; E510-I512 PolarHBondContact O-N 2.89Å; E510-I512 VanDerWaalsContact O-N 3.13Å; E510-L513 WeakPolarHBondContact O-CB 3.47Å; E510-L513 PolarHBondContact O-N 2.94Å
511S54.2Low62.7Low66 Ų6696.9 Ų96.946%0.46251%0.514SS..G310 helixtrans-60.3-14.817539.50000115.5G509 L513 S514G509-S511 PolarHBondContact O-N 2.88Å; S511-L513 VanDerWaalsContact C-N 3.3Å; S511-S514 PolarHBondContact O-OG 3.15Å
512I59.4Low63.1Low34 Ų3492.3 Ų92.317%0.17449%0.489CS..G310 helixtrans-78.6-14.517274.2-176.7000113.2F500 D504 V505 Y508 G509 E510F500-I512 HydrophobicContact CB-CD1 3.81Å; F500-I512 HydrophobicContact CB-CG1 4.45Å; F500-I512 HydrophobicContact CD1-CD1 3.82Å; F500-I512 HydrophobicContact CD2-CB 4.14Å; F500-I512 HydrophobicContact CD2-CD1 3.83Å; F500-I512 HydrophobicContact CD2-CG1 3.79Å; F500-I512 HydrophobicContact CE1-CD1 4.33Å; F500-I512 HydrophobicContact CE2-CB 3.96Å; F500-I512 HydrophobicContact CE2-CD1 4.33Å; F500-I512 HydrophobicContact CE2-CG1 4.15Å; F500-I512 WeakPolarHBondContact CE2-O 3.39Å; F500-I512 HydrophobicContact CG-CD1 3.55Å; F500-I512 HydrophobicContact CG-CG1 4.06Å; F500-I512 HydrophobicContact CZ-CB 4.34Å; D504-I512 HydrophobicContact CB-CD1 3.99Å; V505-I512 HydrophobicContact CG2-CD1 4.08Å; V505-I512 HydrophobicContact CG2-CG1 4.41Å; Y508-I512 VanDerWaalsContact CB-CG2 3.47Å; Y508-I512 HydrophobicContact CG-CG2 4.47Å; G509-I512 PolarHBondContact O-N 2.85Å; E510-I512 PolarHBondContact O-N 2.89Å; E510-I512 VanDerWaalsContact O-N 3.13Å
513L52.7Low63.7Low108 Ų10886.2 Ų86.257%0.56546%0.464SS*.SBendtrans-84.8-20.3-178.1-58.8174.6000112.5V505 E510 S511V505-L513 HydrophobicContact CG1-CD1 4.31Å; V505-L513 HydrophobicContact CG2-CD1 4.3Å; V505-L513 HydrophobicContact CG2-CD2 3.98Å; V505-L513 HydrophobicContact CG2-CG 4.29Å; E510-L513 WeakPolarHBondContact O-CB 3.47Å; E510-L513 PolarHBondContact O-N 2.94Å; S511-L513 VanDerWaalsContact C-N 3.3Å
514S49.8Very low64.4Low76 Ų7683.1 Ų83.153%0.53144%0.444SS..SBendtrans-77.8119.8166.747.30000110.1S511S511-S514 PolarHBondContact O-OG 3.15Å
515P52.9Low65.6Low98 Ų9882.7 Ų82.764%0.63644%0.44SS*.PPolyproline II helixtrans-61.6147.5172.527.4-34.2000110S517P515-S517 PolarHBondContact O-N 2.88Å
516P53.6Low66.5Low116 Ų11684 Ų8475%0.75345%0.45SS*.PPolyproline II helixtrans-59.5125.8-178.524.7-33.9000110.2I518P516-I518 PolarHBondContact O-N 3.31Å
517S55.4Low67.4Low74 Ų7477.6 Ų77.652%0.51742%0.42SS..  trans-61109.6-179.359.70000110.1P515 Y519P515-S517 PolarHBondContact O-N 2.88Å; S517-Y519 PolarHBondContact O-N 2.86Å; S517-Y519 VanDerWaalsContact O-N 3.15Å; S517-Y519 PolarHBondContact OG-O 3.1Å
518I63.1Low68.5Low107 Ų10778.2 Ų78.255%0.54942%0.417SS..SBendtrans-58.6-29.2-176-61.9173000111.4D418 A419 P516D418-I518 CarbonylContact C-O 3.57Å; D418-I518 WeakPolarHBondContact CA-O 3.47Å; A419-I518 PolarHBondContact N-O 2.78Å; P516-I518 PolarHBondContact O-N 3.31Å
519Y68.7Low69.9Low97 Ų9773.5 Ų73.538%0.3840%0.404SS..EExtended strand (participates in β ladder)trans-113.6150.9179.5-46.4-71.8000110.7V417 D418 V424 L429 S517V417-Y519 CarbonylContact O-C 3.5Å; V417-Y519 WeakPolarHBondContact O-CA 3.46Å; D418-Y519 HydrophobicContact CB-CD1 3.85Å; D418-Y519 HydrophobicContact CB-CE1 3.92Å; V424-Y519 HydrophobicContact CB-CD1 4.4Å; V424-Y519 HydrophobicContact CG1-CD1 4.44Å; V424-Y519 HydrophobicContact CG1-CE1 4.4Å; V424-Y519 HydrophobicContact CG2-CD1 3.87Å; V424-Y519 HydrophobicContact CG2-CE1 3.9Å; L429-Y519 HydrophobicContact CD2-CD2 3.53Å; L429-Y519 HydrophobicContact CD2-CE2 4.32Å; L429-Y519 HydrophobicContact CD2-CG 3.94Å; S517-Y519 PolarHBondContact O-N 2.86Å; S517-Y519 VanDerWaalsContact O-N 3.15Å; S517-Y519 PolarHBondContact OG-O 3.1Å
520R69.4Low70.8Confident67 Ų6774.5 Ų74.525%0.25340%0.404SS..EExtended strand (participates in β ladder)trans-150.8141.3177.9-162.8-178.9-169.6150.12.2111W363 L364 V417W363-R520 HydrophobicContact CH2-CB 3.44Å; W363-R520 VanDerWaalsContact CH2-CB 3.44Å; W363-R520 HydrophobicContact CZ2-CB 3.79Å; W363-R520 HydrophobicContact CZ3-CB 4.1Å; L364-R520 PolarHBondContact O-NH1 2.96Å; L364-R520 PolarHBondContact O-NH2 3.07Å; V417-R520 PolarHBondContact N-O 2.69Å; V417-R520 PolarHBondContact O-N 3.4Å
521E73.9Confident71.9Confident109 Ų10968.5 Ų68.551%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-72.3130.1166-68.6177.6-165.900110.3L415 H426L415-E521 WeakPolarHBondContact O-CA 3.44Å; H426-E521 IonicContact CE1-OE1 2.78Å; H426-E521 PolarHBondContact CE1-OE1 2.82Å
522I76.5Confident73.5Confident20 Ų2069.8 Ų69.810%0.10337%0.372CS..EExtended strand (participates in β ladder)trans-130.4142.1177.2-65-170.9000108.2Q347 W363 L375 L415 V417 N524Q347-I522 VanDerWaalsContact NE2-CG2 3.29Å; W363-I522 HydrophobicContact CE3-CD1 4.16Å; W363-I522 HydrophobicContact CZ3-CD1 4.01Å; L375-I522 HydrophobicContact CD2-CD1 3.54Å; L415-I522 PolarHBondContact N-O 2.98Å; L415-I522 PolarHBondContact O-N 2.67Å; V417-I522 HydrophobicContact CG2-CB 4.1Å; V417-I522 HydrophobicContact CG2-CD1 3.69Å; V417-I522 HydrophobicContact CG2-CG1 3.88Å; I522-N524 PolarHBondContact O-N 2.87Å
523V81.5Confident75Confident46 Ų4668.8 Ų68.828%0.27937%0.367SS..EExtended strand (participates in β ladder)trans-74117.3176.3-175.40000108.6Q347 L359 L414 Y525Q347-V523 PolarHBondContact NE2-O 3.49Å; L359-V523 WeakPolarHBondContact CD2-O 3.4Å; L414-V523 HydrophobicContact CD2-CG2 4.32Å; V523-Y525 HydrophobicContact CG1-CD1 4.44Å; V523-Y525 HydrophobicContact CG1-CE1 3.82Å; V523-Y525 HydrophobicContact CG1-CE2 4.16Å
524N85.1Confident76.7Confident26 Ų2665.8 Ų65.814%0.13935%0.351CS..EExtended strand (participates in β ladder)trans-97.6163.3167.6-166.711.6000109.2V379 Y412 S413 L415 I522V379-N524 WeakPolarHBondContact CG1-OD1 2.9Å; Y412-N524 WeakPolarHBondContact CA-O 3.49Å; S413-N524 PolarHBondContact N-O 3.28Å; S413-N524 PolarHBondContact O-N 3.34Å; L415-N524 HydrophobicContact CB-CB 3.94Å; L415-N524 HydrophobicContact CD2-CB 4.2Å; I522-N524 PolarHBondContact O-N 2.87Å
525Y87.2Confident78.6Confident32 Ų3262.2 Ų62.213%0.12533%0.326CS..EExtended strand (participates in β ladder)trans-130.1155.5-174.2-61.6-79000111.7L343 Q347 L359 V379 I410 D411 V523L343-Y525 HydrophobicContact CD1-CD2 3.79Å; L343-Y525 HydrophobicContact CD1-CE1 4.42Å; L343-Y525 HydrophobicContact CD1-CE2 3.37Å; L343-Y525 HydrophobicContact CD1-CG 4.46Å; Q347-Y525 PolarHBondContact OE1-OH 2.91Å; L359-Y525 HydrophobicContact CD1-CD2 4.28Å; L359-Y525 HydrophobicContact CD1-CE2 4.2Å; L359-Y525 HydrophobicContact CD2-CD2 3.9Å; L359-Y525 HydrophobicContact CD2-CE2 4.04Å; V379-Y525 WeakPolarHBondContact CG1-O 3.4Å; I410-Y525 HydrophobicContact CG2-CD1 3.49Å; I410-Y525 VanDerWaalsContact CG2-CD1 3.49Å; I410-Y525 HydrophobicContact CG2-CE1 4.21Å; I410-Y525 HydrophobicContact CG2-CG 4.18Å; D411-Y525 CarbonylContact O-C 3.15Å; D411-Y525 WeakPolarHBondContact O-CA 3.47Å; V523-Y525 HydrophobicContact CG1-CD1 4.44Å; V523-Y525 HydrophobicContact CG1-CE1 3.82Å; V523-Y525 HydrophobicContact CG1-CE2 4.16Å
526S88.2Confident80.3Confident62 Ų6257.7 Ų57.743%0.43430%0.296SS..EExtended strand (participates in β ladder)trans-130.2149.4166.161.60000109.6D411D411-S526 PolarHBondContact N-O 3.28Å; D411-S526 PolarHBondContact O-N 2.96Å
527F88.2Confident81.8Confident37 Ų3752.2 Ų52.216%0.16226%0.261CS..EExtended strand (participates in β ladder)trans-127.9118.7-169.4-58.1-79.9000110.8L349 L357 V379 L396 M408 K409 I410L349-F527 HydrophobicContact CD1-CE2 4.14Å; L349-F527 HydrophobicContact CD1-CZ 3.75Å; L349-F527 HydrophobicContact CD2-CE1 3.92Å; L349-F527 HydrophobicContact CD2-CZ 3.62Å; L349-F527 HydrophobicContact CG-CZ 4.36Å; L357-F527 HydrophobicContact CD1-CD2 3.66Å; L357-F527 HydrophobicContact CD1-CE2 3.78Å; L357-F527 HydrophobicContact CD1-CG 4.07Å; L357-F527 HydrophobicContact CD1-CZ 4.29Å; V379-F527 HydrophobicContact CB-CE2 4.44Å; V379-F527 HydrophobicContact CG1-CD2 4.43Å; V379-F527 HydrophobicContact CG1-CE2 3.72Å; L396-F527 HydrophobicContact CD2-CD1 4.36Å; L396-F527 HydrophobicContact CD2-CE1 4.07Å; M408-F527 HydrophobicContact CE-CB 3.58Å; M408-F527 HydrophobicContact SD-CB 4.14Å; K409-F527 WeakPolarHBondContact O-CA 3.45Å; I410-F527 HydrophobicContact CG1-CD1 4.15Å; I410-F527 HydrophobicContact CG1-CE1 4.03Å; I410-F527 HydrophobicContact CG2-CD1 4.43Å; I410-F527 HydrophobicContact CG2-CE1 4.05Å
528K87.8Confident83.4Confident132 Ų13249.9 Ų49.957%0.57424%0.244SC*.EExtended strand (participates in β ladder)trans-111.8128.8175.6-180169179.5171.30109.9M408 K409M408-K528 CarbonylContact C-O 3.6Å; M408-K528 WeakPolarHBondContact CA-O 3.25Å; K409-K528 PolarHBondContact N-O 3.08Å; K409-K528 PolarHBondContact O-N 2.74Å
529V86.3Confident84.7Confident46 Ų4644.9 Ų44.928%0.27922%0.218SC..EExtended strand (participates in β ladder)trans-66.2136.1173.5-179.40000109.5V406 M408 T586V406-V529 HydrophobicContact CB-CG1 4.39Å; V406-V529 HydrophobicContact CG1-CG1 4.3Å; M408-V529 HydrophobicContact CE-CG2 3.84Å; M408-V529 HydrophobicContact CG-CG2 4.39Å; V529-T586 HydrophobicContact CG2-CG2 4Å
530V88Confident85.7Confident50 Ų5042 Ų4230%0.30322%0.217SC..EExtended strand (participates in β ladder)trans-115.9-50.6-174.11680000111T63 L407 K409T63-V530 HydrophobicContact CG2-CG1 4.34Å; T63-V530 WeakPolarHBondContact O-CG1 3.34Å; L407-V530 HydrophobicContact CB-CB 4.44Å; L407-V530 HydrophobicContact CD2-CB 4.38Å; L407-V530 HydrophobicContact CD2-CG1 3.93Å; L407-V530 HydrophobicContact CG-CB 4.25Å; L407-V530 HydrophobicContact CG-CG1 4.34Å; L407-V530 PolarHBondContact O-N 2.93Å; K409-V530 HydrophobicContact CB-CG2 3.62Å
531D88.7Confident86.8Confident36 Ų3640.3 Ų40.319%0.19321%0.212CC..EExtended strand (participates in β ladder)trans-149.7161.9-178.4-164.32.2000110.1R64 F65 L407R64-D531 VanDerWaalsContact CA-OD2 3.23Å; R64-D531 WeakPolarHBondContact CA-OD2 3.46Å; R64-D531 WeakPolarHBondContact CB-OD2 3.44Å; F65-D531 HydrophobicContact CD2-CB 3.96Å; F65-D531 WeakPolarHBondContact CD2-OD2 3.31Å; F65-D531 HydrophobicContact CE2-CB 4Å; F65-D531 PolarHBondContact N-OD2 3.08Å; L407-D531 HydrophobicContact CB-CB 4.23Å; L407-D531 HydrophobicContact CD2-CB 4.43Å; L407-D531 PolarHBondContact N-O 3.07Å; L407-D531 PolarHBondContact O-N 2.66Å
532R88Confident87.7Confident92 Ų9235.5 Ų35.535%0.34719%0.19SC..EExtended strand (participates in β ladder)trans-138.4144.7-177.660.4172.6168.1-161.4-12.9113.3S405 N589S405-R532 CarbonylContact O-C 3.43Å; S405-R532 WeakPolarHBondContact O-CA 3.43Å; R532-N589 PolarHBondContact NH2-OD1 2.91Å
533L90.1Very high88.5Confident13 Ų1335.1 Ų35.17%0.06819%0.189CC..EExtended strand (participates in β ladder)trans-104116.6166.6-58177.1000108.5I44 Y53 F65 F397 D404 S405I44-L533 HydrophobicContact CD1-CD1 3.65Å; Y53-L533 HydrophobicContact CE1-CD2 4.47Å; F65-L533 HydrophobicContact CD2-CD2 3.61Å; F65-L533 HydrophobicContact CD2-CG 3.93Å; F65-L533 HydrophobicContact CE2-CD1 4.34Å; F65-L533 HydrophobicContact CE2-CD2 3.94Å; F65-L533 HydrophobicContact CE2-CG 3.7Å; F65-L533 HydrophobicContact CG-CD2 4.17Å; F65-L533 HydrophobicContact CZ-CD1 4.43Å; F65-L533 HydrophobicContact CZ-CG 4.25Å; F397-L533 HydrophobicContact CE2-CD1 4.16Å; F397-L533 HydrophobicContact CZ-CD1 4.24Å; D404-L533 WeakPolarHBondContact CA-O 3.17Å; S405-L533 PolarHBondContact N-O 2.85Å; S405-L533 PolarHBondContact O-N 3.13Å
534I88.7Confident89Confident46 Ų4634.8 Ų34.824%0.23619%0.189CC..  trans-59.7138.3-176.9-62.6173.6000110.3D404 E1319 I1323D404-I534 WeakPolarHBondContact OD1-CA 3.41Å; I534-E1319 HydrophobicContact CD1-CG 4.33Å; I534-I1323 HydrophobicContact CG2-CD1 4.45Å
535N90Very high89Confident0 Ų033.7 Ų33.70%018%0.184CC..  trans-125.9127.9174.4-177.720000111.7T24 A25 R401 C403 D404 G537 R580T24-N535 WeakPolarHBondContact OG1-CA 3.46Å; T24-N535 PolarHBondContact OG1-OD1 3.4Å; A25-N535 WeakPolarHBondContact CA-OD1 3.46Å; A25-N535 PolarHBondContact N-OD1 2.89Å; R401-N535 PolarHBondContact O-ND2 2.61Å; C403-N535 WeakPolarHBondContact O-CB 3.48Å; C403-N535 PolarHBondContact O-ND2 3.36Å; D404-N535 PolarHBondContact OD1-N 3.17Å; N535-G537 PolarHBondContact ND2-O 3.06Å; N535-G537 VanDerWaalsContact ND2-O 3.16Å; N535-G537 PolarHBondContact OD1-N 3.21Å; N535-R580 PolarHBondContact ND2-NH2 3.3Å; N535-R580 PolarHBondContact O-NH1 3.37Å; N535-R580 PolarHBondContact O-NH2 2.81Å
536L89Confident88.7Confident4 Ų434.7 Ų34.72%0.02119%0.189CC..  trans-96.8-7.5174.4-61.9176.5000113.7T24 M539 I578 A597 L599 I1323T24-L536 HydrophobicContact CG2-CG 4.45Å; T24-L536 PolarHBondContact OG1-N 2.99Å; L536-M539 WeakPolarHBondContact O-CG 3.41Å; L536-I578 HydrophobicContact CB-CD1 4.33Å; L536-I578 HydrophobicContact CD2-CD1 4.01Å; L536-I578 WeakPolarHBondContact O-CD1 3.45Å; L536-A597 HydrophobicContact CD2-CB 4.23Å; L536-L599 HydrophobicContact CD1-CD2 4.42Å; L536-I1323 HydrophobicContact CD1-CD1 4.44Å; L536-I1323 HydrophobicContact CD2-CD1 4.46Å
537G84.1Confident88Confident0 Ų032.4 Ų32.40%017%0.172CC..PPolyproline II helixtrans-94.8146-178.600000113.7R401 N535 R580R401-G537 VanDerWaalsContact O-O 3.06Å; N535-G537 PolarHBondContact ND2-O 3.06Å; N535-G537 VanDerWaalsContact ND2-O 3.16Å; N535-G537 PolarHBondContact OD1-N 3.21Å; G537-R580 PolarHBondContact O-NE 3.43Å; G537-R580 PolarHBondContact O-NH2 3.27Å
538P89.8Confident86.8Confident26 Ų2632.5 Ų32.517%0.16918%0.177CC..SBendcis-82.8133.3-5.232.8-33.2000112.4F402 I578 Q1723F402-P538 HydrophobicContact CD1-CG 4.34Å; P538-I578 WeakPolarHBondContact O-CG2 3.47Å; P538-Q1723 WeakPolarHBondContact CA-O 3.33Å; P538-Q1723 HydrophobicContact CB-CG 4.31Å
539M90.4Very high85.2Confident2 Ų230.2 Ų30.21%0.0118%0.177CC..PPolyproline II helixtrans-76.6124.6168.5-74.7178.5-10200110.2L536 L542 A576 I578 T1630 G1725 S1726 I1727L536-M539 WeakPolarHBondContact O-CG 3.41Å; M539-L542 HydrophobicContact SD-CD1 4.39Å; M539-A576 HydrophobicContact CG-CB 4.09Å; M539-A576 HydrophobicContact SD-CB 3.9Å; M539-I578 HydrophobicContact CG-CG1 4.5Å; M539-T1630 WeakPolarHBondContact O-CB 3.44Å; M539-T1630 PolarHBondContact O-OG1 2.89Å; M539-G1725 VanDerWaalsContact CE-C 3.48Å; M539-G1725 WeakPolarHBondContact CE-O 3.47Å; M539-S1726 VanDerWaalsContact CE-O 3.23Å; M539-S1726 WeakPolarHBondContact CE-O 3.29Å; M539-I1727 HydrophobicContact CE-CD1 4.44Å; M539-I1727 HydrophobicContact CE-CG1 3.68Å; M539-I1727 HydrophobicContact SD-CD1 4.35Å; M539-I1727 HydrophobicContact SD-CG1 4.08Å
540G89.2Confident83.5Confident35 Ų3530.1 Ų30.136%0.36117%0.174SC..  trans-82.5-49.1173.200000111.8C577G540-C577 PolarHBondContact N-O 3.41Å
541Q92.3Very high81.3Confident32 Ų3229.7 Ų29.715%0.1518%0.176CC..EExtended strand (participates in β ladder)trans-134.9145-179.3-167.4-174.8-0.400110.8C577 Y1334 V1335Q541-C577 HydrophobicContact CB-CB 4.01Å; Q541-C577 PolarHBondContact N-O 2.81Å; Q541-C577 PolarHBondContact O-N 2.86Å; Q541-Y1334 VanDerWaalsContact OE1-CA 3.3Å; Q541-V1335 PolarHBondContact NE2-O 2.78Å; Q541-V1335 PolarHBondContact OE1-O 3.01Å
542L93.1Very high79Confident9 Ų931.1 Ų31.15%0.04719%0.188CC..EExtended strand (participates in β ladder)trans-119121.9169.6-167.173000107.8M539 L574 M575 A576 C1631 L1633M539-L542 HydrophobicContact SD-CD1 4.39Å; L542-L574 HydrophobicContact CD1-CD1 3.77Å; L542-L574 HydrophobicContact CD1-CD2 4.27Å; L542-L574 HydrophobicContact CD1-CG 4Å; L542-L574 HydrophobicContact CD2-CD1 4.2Å; L542-L574 HydrophobicContact CG-CD1 3.84Å; L542-M575 WeakPolarHBondContact CA-O 3.07Å; L542-A576 HydrophobicContact CD1-CB 4.24Å; L542-C1631 HydrophobicContact CB-CB 4.44Å; L542-L1633 HydrophobicContact CB-CB 4.44Å; L542-L1633 HydrophobicContact CD2-CB 3.92Å; L542-L1633 HydrophobicContact CG-CB 4.12Å
543T92.8Very high76.8Confident12 Ų1227.5 Ų27.57%0.07418%0.179CC..EExtended strand (participates in β ladder)trans-143.5-176.9-173.6-168.60000109.9M575 V1335T543-M575 HydrophobicContact CG2-CB 3.71Å; T543-M575 HydrophobicContact CG2-CE 4.01Å; T543-M575 PolarHBondContact N-O 2.92Å; T543-M575 PolarHBondContact O-N 2.81Å; T543-V1335 HydrophobicContact CG2-CB 4.29Å; T543-V1335 HydrophobicContact CG2-CG1 4.28Å
544S91.4Very high74.5Confident39 Ų3934.8 Ų34.827%0.27322%0.218SC..EExtended strand (participates in β ladder)trans-151.5141-176.157.10000112.8E573S544-E573 VanDerWaalsContact CA-O 3.23Å; S544-E573 WeakPolarHBondContact CA-O 3.41Å; S544-E573 VanDerWaalsContact CB-O 3.31Å; S544-E573 WeakPolarHBondContact CB-O 3.22Å
545G86.1Confident72.4Confident3 Ų334.8 Ų34.83%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-124.1172.1177.800000112.2V572 E573G545-V572 CarbonylContact O-C 3.59Å; G545-V572 WeakPolarHBondContact O-CA 3.15Å; G545-V572 WeakPolarHBondContact O-CG1 3.43Å; G545-E573 PolarHBondContact N-O 2.95Å; G545-E573 WeakPolarHBondContact O-CG 3.07Å; G545-E573 PolarHBondContact O-N 2.84Å
546E80.6Confident70.2Confident53 Ų5339.5 Ų39.525%0.24825%0.245CC..EExtended strand (participates in β ladder)trans-82.7129.6166.2-165-171.113500109Y1337 K1342E546-Y1337 HydrophobicContact CB-CE1 4.14Å; E546-Y1337 WeakPolarHBondContact CB-OH 3.44Å; E546-K1342 IonicContact OE1-NZ 3.84Å; E546-K1342 PolarHBondContact OE1-NZ 2.7Å; E546-K1342 WeakPolarHBondContact OE2-CE 3.24Å; E546-K1342 IonicContact OE2-NZ 2.69Å; E546-K1342 PolarHBondContact OE2-NZ 2.94Å
547V74Confident68.3Low13 Ų1345 Ų458%0.07928%0.281CS..PPolyproline II helixtrans-61.3128.6173.4165.30000109.3C549 L550 H571 E573V547-C549 PolarHBondContact O-N 2.73Å; V547-L550 HydrophobicContact CG1-CD1 4.06Å; V547-L550 HydrophobicContact CG1-CG 3.96Å; V547-H571 HydrophobicContact CB-CB 4.24Å; V547-H571 VanDerWaalsContact CB-O 3.32Å; V547-H571 WeakPolarHBondContact CB-O 3.3Å; V547-H571 WeakPolarHBondContact CG2-O 3.47Å; V547-H571 PolarHBondContact N-O 2.8Å; V547-E573 HydrophobicContact CG2-CB 3.71Å; V547-E573 HydrophobicContact CG2-CG 4.04Å
548P62.6Low66.4Low39 Ų3950.1 Ų50.125%0.25331%0.313SS..PPolyproline II helixtrans-55.9122.5175.9-23.733.9000110.5L550 P1392 L1394P548-L550 PolarHBondContact O-N 2.99Å; P548-P1392 HydrophobicContact CB-CB 3.78Å; P548-P1392 HydrophobicContact CB-CG 4.08Å; P548-P1392 HydrophobicContact CG-CB 3.19Å; P548-P1392 HydrophobicContact CG-CG 3.74Å; P548-L1394 HydrophobicContact CB-CD2 3.6Å
549C53.3Low64.7Low85 Ų8552 Ų5257%0.57432%0.321SS*.  trans-34.8103.7-162.2-51.10000114.5V547 A551V547-C549 PolarHBondContact O-N 2.73Å; C549-A551 PolarHBondContact O-N 3.4Å; C549-A551 VanDerWaalsContact O-N 3.09Å
550L51Low62.7Low43 Ų4359.6 Ų59.623%0.22536%0.357CS..  trans-63.3111.5166.2-70.4166.2000106.9V547 P548 R604 R606 I1278 P1312V547-L550 HydrophobicContact CG1-CD1 4.06Å; V547-L550 HydrophobicContact CG1-CG 3.96Å; P548-L550 PolarHBondContact O-N 2.99Å; L550-R604 HydrophobicContact CD1-CB 3.72Å; L550-R606 HydrophobicContact CD2-CB 3.98Å; L550-R606 HydrophobicContact CD2-CG 4.42Å; L550-I1278 HydrophobicContact CD1-CD1 4.03Å; L550-P1312 HydrophobicContact CD2-CG 4.33Å
551A43Very low60.6Low42 Ų4260 Ų6035%0.34736%0.357SS..  trans-62.4136.2-153.500000113.7C549 G553C549-A551 PolarHBondContact O-N 3.4Å; C549-A551 VanDerWaalsContact O-N 3.09Å; A551-G553 PolarHBondContact O-N 3.07Å; A551-G553 VanDerWaalsContact O-N 3.15Å
552P39.6Very low58.5Low66 Ų6659.7 Ų59.743%0.42936%0.356SS..  trans-62.3110.9152.525.8-28.8000108N554 T555P552-N554 VanDerWaalsContact C-N 3.29Å; P552-N554 PolarHBondContact O-N 2.68Å; P552-T555 WeakPolarHBondContact CB-OG1 3.45Å
553G41.2Very low56.4Low16 Ų1662.2 Ų62.217%0.16537%0.372CS..  trans-72.582176.800000110.8A551 T555 L608A551-G553 PolarHBondContact O-N 3.07Å; A551-G553 VanDerWaalsContact O-N 3.15Å; G553-T555 PolarHBondContact O-N 2.62Å; G553-T555 VanDerWaalsContact O-N 3.12Å; G553-L608 WeakPolarHBondContact CA-O 3.37Å
554N43.1Very low54.2Low165 Ų16569.1 Ų69.188%0.88240%0.398SS*.SBendtrans53.323.5-177.6-69.3-3.8000115.7P552 D556P552-N554 VanDerWaalsContact C-N 3.29Å; P552-N554 PolarHBondContact O-N 2.68Å; N554-D556 PolarHBondContact O-N 2.96Å
555T43.6Very low52Low47 Ų4769.5 Ų69.529%0.28840%0.403SS..  trans-67.8127.8170.760.30000109.4P552 G553 L562P552-T555 WeakPolarHBondContact CB-OG1 3.45Å; G553-T555 PolarHBondContact O-N 2.62Å; G553-T555 VanDerWaalsContact O-N 3.12Å; T555-L562 HydrophobicContact CG2-CD2 3.98Å
556D44.7Very low50.3Low98 Ų9872.4 Ų72.452%0.52442%0.416SS..  trans-57128.7-177.9-167.8-51.2000110.6N554 T558 D559N554-D556 PolarHBondContact O-N 2.96Å; D556-T558 PolarHBondContact O-N 2.84Å; D556-T558 VanDerWaalsContact OD1-CB 3.32Å; D556-T558 WeakPolarHBondContact OD1-CB 3.45Å; D556-T558 WeakPolarHBondContact OD1-CG2 3.45Å; D556-T558 PolarHBondContact OD1-N 2.93Å; D556-T558 PolarHBondContact OD1-OG1 2.81Å; D556-D559 PolarHBondContact O-N 3.26Å
557P47.8Very low48.8Very low120 Ų12073.2 Ų73.278%0.77943%0.425SS*.THydrogen-bonded Turntrans-63.7-3.2179.628-36.1000113.9
558T45.8Very low47.4Very low108 Ų10877.8 Ų77.866%0.66345%0.445SS*.THydrogen-bonded Turntrans-83.1-8.3170.761.50000114.9D556 E560D556-T558 PolarHBondContact O-N 2.84Å; D556-T558 VanDerWaalsContact OD1-CB 3.32Å; D556-T558 WeakPolarHBondContact OD1-CB 3.45Å; D556-T558 WeakPolarHBondContact OD1-CG2 3.45Å; D556-T558 PolarHBondContact OD1-N 2.93Å; D556-T558 PolarHBondContact OD1-OG1 2.81Å; T558-E560 PolarHBondContact O-N 2.58Å
559D53.1Low46.8Very low64 Ų6479 Ų7934%0.34245%0.449SS..  trans-74.482.9165-171-4.8000110.2D556 A561 L562 T563D556-D559 PolarHBondContact O-N 3.26Å; D559-A561 PolarHBondContact O-N 3.47Å; D559-A561 WeakPolarHBondContact OD1-CA 3.28Å; D559-A561 VanDerWaalsContact OD1-CB 3.32Å; D559-A561 WeakPolarHBondContact OD1-CB 3.36Å; D559-A561 PolarHBondContact OD1-N 2.78Å; D559-L562 HydrophobicContact CB-CB 4.26Å; D559-L562 PolarHBondContact O-N 2.82Å; D559-L562 PolarHBondContact OD1-N 2.87Å; D559-L562 WeakPolarHBondContact OD2-CB 3.48Å; D559-T563 WeakPolarHBondContact O-CB 3.35Å; D559-T563 PolarHBondContact O-N 2.84Å; D559-T563 PolarHBondContact O-OG1 2.82Å
560E49.1Very low46.7Very low162 Ų16279.7 Ų79.776%0.75744%0.443SS*.Hα-helixtrans-53.7-32.3171.8-65.8-169.8157.600111.8T558 Y564T558-E560 PolarHBondContact O-N 2.58Å; E560-Y564 WeakPolarHBondContact O-CB 3.2Å; E560-Y564 PolarHBondContact O-N 3.1Å
561A44Very low47.5Very low45 Ų4579.7 Ų79.737%0.37244%0.442SS..Hα-helixtrans-78.1-38-174.900000112.6D559 A565D559-A561 PolarHBondContact O-N 3.47Å; D559-A561 WeakPolarHBondContact OD1-CA 3.28Å; D559-A561 VanDerWaalsContact OD1-CB 3.32Å; D559-A561 WeakPolarHBondContact OD1-CB 3.36Å; D559-A561 PolarHBondContact OD1-N 2.78Å; A561-A565 WeakPolarHBondContact O-CB 3.32Å; A561-A565 PolarHBondContact O-N 2.79Å
562L48.2Very low49.2Very low24 Ų2480.1 Ų80.113%0.12644%0.44CS..Hα-helixtrans-68.8-41.8170.6-169.172.4000110.7T555 D559 Y564 A565 Q566T555-L562 HydrophobicContact CG2-CD2 3.98Å; D559-L562 HydrophobicContact CB-CB 4.26Å; D559-L562 PolarHBondContact O-N 2.82Å; D559-L562 PolarHBondContact OD1-N 2.87Å; D559-L562 WeakPolarHBondContact OD2-CB 3.48Å; L562-Y564 VanDerWaalsContact C-N 3.33Å; L562-Y564 PolarHBondContact O-N 2.76Å; L562-A565 PolarHBondContact O-N 3.24Å; L562-Q566 WeakPolarHBondContact O-CG 3.44Å; L562-Q566 PolarHBondContact O-N 2.85Å
563T50Low51.4Low63 Ų6377 Ų7739%0.38742%0.42SS..Hα-helixtrans-61.9-39.2176-53.60000111.9D559 T567D559-T563 WeakPolarHBondContact O-CB 3.35Å; D559-T563 PolarHBondContact O-N 2.84Å; D559-T563 PolarHBondContact O-OG1 2.82Å; T563-T567 WeakPolarHBondContact O-CG2 3.34Å; T563-T567 PolarHBondContact O-N 2.83Å; T563-T567 PolarHBondContact O-OG1 2.68Å
564Y47.2Very low53.8Low157 Ų15776.4 Ų76.462%0.61641%0.412SS*.Hα-helixtrans-70.7-36.5175.6-159.8-84.1000112.1E560 L562 T567 E568E560-Y564 WeakPolarHBondContact O-CB 3.2Å; E560-Y564 PolarHBondContact O-N 3.1Å; L562-Y564 VanDerWaalsContact C-N 3.33Å; L562-Y564 PolarHBondContact O-N 2.76Å; Y564-T567 WeakPolarHBondContact CA-OG1 3.3Å; Y564-T567 PolarHBondContact O-N 2.77Å; Y564-T567 PolarHBondContact O-OG1 2.73Å; Y564-E568 HydrophobicContact CD1-CG 4.09Å; Y564-E568 HydrophobicContact CE1-CG 3.73Å; Y564-E568 PolarHBondContact O-N 3.39Å
565A45Very low56.2Low46 Ų4668.5 Ų68.538%0.3837%0.37SS..Hα-helixtrans-64.5-45.7173.100000111.7A561 L562 T567 E568 M569A561-A565 WeakPolarHBondContact O-CB 3.32Å; A561-A565 PolarHBondContact O-N 2.79Å; L562-A565 PolarHBondContact O-N 3.24Å; A565-T567 PolarHBondContact O-N 3.06Å; A565-E568 PolarHBondContact O-N 3.1Å; A565-M569 VanDerWaalsContact O-CB 3.28Å; A565-M569 WeakPolarHBondContact O-CB 3.41Å; A565-M569 VanDerWaalsContact O-CG 3.29Å; A565-M569 WeakPolarHBondContact O-CG 3.4Å; A565-M569 PolarHBondContact O-N 3.01Å
566Q50.5Low58.6Low65 Ų6566.3 Ų66.330%0.30436%0.357SS..Hα-helixtrans-62.5-39.5176.3-71.3171.6-4.300112L562 M569 H570L562-Q566 WeakPolarHBondContact O-CG 3.44Å; L562-Q566 PolarHBondContact O-N 2.85Å; Q566-M569 CarbonylContact O-C 3.43Å; Q566-M569 PolarHBondContact O-N 3.21Å; Q566-H570 PolarHBondContact O-N 3.18Å; Q566-H570 VanDerWaalsContact O-N 3.08Å
567T47.2Very low60.8Low70 Ų7061.6 Ų61.643%0.42933%0.332SS..Hα-helixtrans-74.3-38.2176.248.10000113.4T563 Y564 A565 M569 H570T563-T567 WeakPolarHBondContact O-CG2 3.34Å; T563-T567 PolarHBondContact O-N 2.83Å; T563-T567 PolarHBondContact O-OG1 2.68Å; Y564-T567 WeakPolarHBondContact CA-OG1 3.3Å; Y564-T567 PolarHBondContact O-N 2.77Å; Y564-T567 PolarHBondContact O-OG1 2.73Å; A565-T567 PolarHBondContact O-N 3.06Å; T567-M569 PolarHBondContact O-N 3.36Å; T567-H570 PolarHBondContact O-CD2 2.8Å; T567-H570 PolarHBondContact O-N 3.48Å; T567-H570 VanDerWaalsContact O-N 3.16Å
568E45.5Very low62.9Low109 Ų10955.9 Ų55.951%0.50930%0.295SS..Hα-helixtrans-61.3-31.9167.1-85.8-138.9130.300112Y564 A565 H570 R1638Y564-E568 HydrophobicContact CD1-CG 4.09Å; Y564-E568 HydrophobicContact CE1-CG 3.73Å; Y564-E568 PolarHBondContact O-N 3.39Å; A565-E568 PolarHBondContact O-N 3.1Å; E568-H570 VanDerWaalsContact C-N 3.35Å; E568-R1638 PolarHBondContact O-NH1 2.81Å
569M49.1Very low64.8Low65 Ų6552.5 Ų52.532%0.3228%0.275SS..Hα-helixtrans-77.1-11.2176.3-76.1-155.5-175.900115A565 Q566 T567 H571 R1640A565-M569 VanDerWaalsContact O-CB 3.28Å; A565-M569 WeakPolarHBondContact O-CB 3.41Å; A565-M569 VanDerWaalsContact O-CG 3.29Å; A565-M569 WeakPolarHBondContact O-CG 3.4Å; A565-M569 PolarHBondContact O-N 3.01Å; Q566-M569 CarbonylContact O-C 3.43Å; Q566-M569 PolarHBondContact O-N 3.21Å; T567-M569 PolarHBondContact O-N 3.36Å; M569-H571 PolarHBondContact O-N 3.18Å; M569-R1640 PolarHBondContact O-NH2 3.02Å
570H52.4Low66.1Low99 Ų9950.1 Ų50.146%0.45826%0.261SS..  trans13.693.4177.3-89-67.2000112.2Q566 T567 E568 V572Q566-H570 PolarHBondContact O-N 3.18Å; Q566-H570 VanDerWaalsContact O-N 3.08Å; T567-H570 PolarHBondContact O-CD2 2.8Å; T567-H570 PolarHBondContact O-N 3.48Å; T567-H570 VanDerWaalsContact O-N 3.16Å; E568-H570 VanDerWaalsContact C-N 3.35Å; H570-V572 WeakPolarHBondContact O-CG2 3.32Å; H570-V572 PolarHBondContact O-N 2.86Å
571H67.4Low67.1Low42 Ų4246.3 Ų46.319%0.19425%0.252CS..  trans-73.966.6-165.3-60.5-71.8000112.9V547 M569 E573 R604V547-H571 HydrophobicContact CB-CB 4.24Å; V547-H571 VanDerWaalsContact CB-O 3.32Å; V547-H571 WeakPolarHBondContact CB-O 3.3Å; V547-H571 WeakPolarHBondContact CG2-O 3.47Å; V547-H571 PolarHBondContact N-O 2.8Å; M569-H571 PolarHBondContact O-N 3.18Å; H571-E573 PolarHBondContact O-N 2.66Å; H571-R604 PolarHBondContact O-NH1 2.98Å
572V79.9Confident68.2Low52 Ų5245.9 Ų45.932%0.31524%0.242SC..EExtended strand (participates in β ladder)trans-71.5127.6-177.9-175.20000110.4G545 H570 R604 F1825G545-V572 CarbonylContact O-C 3.59Å; G545-V572 WeakPolarHBondContact O-CA 3.15Å; G545-V572 WeakPolarHBondContact O-CG1 3.43Å; H570-V572 WeakPolarHBondContact O-CG2 3.32Å; H570-V572 PolarHBondContact O-N 2.86Å; V572-R604 PolarHBondContact O-NH1 2.83Å; V572-R604 VanDerWaalsContact O-NH1 3.08Å; V572-R604 PolarHBondContact O-NH2 2.91Å; V572-F1825 HydrophobicContact CB-CE1 4.44Å; V572-F1825 HydrophobicContact CG1-CD1 4.25Å; V572-F1825 HydrophobicContact CG1-CE1 3.78Å; V572-F1825 WeakPolarHBondContact O-CD1 3.34Å
573E85.5Confident68.7Low1 Ų149.2 Ų49.21%0.00526%0.26CS..EExtended strand (participates in β ladder)trans-90.9147.6167.551.4-177.7-164.600111.1S544 G545 V547 H571 M575 Y1344S544-E573 VanDerWaalsContact CA-O 3.23Å; S544-E573 WeakPolarHBondContact CA-O 3.41Å; S544-E573 VanDerWaalsContact CB-O 3.31Å; S544-E573 WeakPolarHBondContact CB-O 3.22Å; G545-E573 PolarHBondContact N-O 2.95Å; G545-E573 WeakPolarHBondContact O-CG 3.07Å; G545-E573 PolarHBondContact O-N 2.84Å; V547-E573 HydrophobicContact CG2-CB 3.71Å; V547-E573 HydrophobicContact CG2-CG 4.04Å; H571-E573 PolarHBondContact O-N 2.66Å; E573-M575 HydrophobicContact CG-CG 4.48Å; E573-Y1344 PolarHBondContact OE1-OH 2.87Å
574L91.7Very high69.1Low2 Ų246.6 Ų46.61%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-89.6130.8169.8-17765.5000108.3L542 L599 L1633 I1727 F1825L542-L574 HydrophobicContact CD1-CD1 3.77Å; L542-L574 HydrophobicContact CD1-CD2 4.27Å; L542-L574 HydrophobicContact CD1-CG 4Å; L542-L574 HydrophobicContact CD2-CD1 4.2Å; L542-L574 HydrophobicContact CG-CD1 3.84Å; L574-L599 HydrophobicContact CB-CB 4.13Å; L574-L599 WeakPolarHBondContact CB-O 3.37Å; L574-L599 HydrophobicContact CD2-CB 4.38Å; L574-L599 HydrophobicContact CD2-CD1 4.39Å; L574-L599 HydrophobicContact CG-CB 4.42Å; L574-L599 PolarHBondContact N-O 2.75Å; L574-L599 PolarHBondContact O-N 3Å; L574-L1633 HydrophobicContact CD1-CD2 3.53Å; L574-I1727 HydrophobicContact CD2-CD1 4.09Å; L574-F1825 HydrophobicContact CB-CB 4.16Å; L574-F1825 HydrophobicContact CB-CD1 3.62Å; L574-F1825 HydrophobicContact CB-CD2 3.93Å; L574-F1825 HydrophobicContact CB-CE1 3.9Å; L574-F1825 HydrophobicContact CB-CE2 4.21Å; L574-F1825 HydrophobicContact CB-CG 3.62Å; L574-F1825 HydrophobicContact CB-CZ 4.19Å; L574-F1825 HydrophobicContact CD1-CD2 4.46Å; L574-F1825 HydrophobicContact CD1-CE1 4.18Å; L574-F1825 HydrophobicContact CD1-CE2 3.94Å; L574-F1825 HydrophobicContact CD1-CZ 3.78Å; L574-F1825 HydrophobicContact CD2-CD2 4.18Å; L574-F1825 HydrophobicContact CD2-CE2 4.31Å; L574-F1825 HydrophobicContact CG-CD2 4.44Å; L574-F1825 HydrophobicContact CG-CE2 4.4Å; L574-F1825 HydrophobicContact CG-CZ 4.5Å; L574-F1825 VanDerWaalsContact N-CD1 3.35Å
575M93Very high69.4Low0 Ų044.6 Ų44.60%025%0.25CC..EExtended strand (participates in β ladder)trans-117.4127.7178.5-70.1-167.2-85.500110.7L542 T543 E573 V596 A597 L598 V1335 Y1344 W1405L542-M575 WeakPolarHBondContact CA-O 3.07Å; T543-M575 HydrophobicContact CG2-CB 3.71Å; T543-M575 HydrophobicContact CG2-CE 4.01Å; T543-M575 PolarHBondContact N-O 2.92Å; T543-M575 PolarHBondContact O-N 2.81Å; E573-M575 HydrophobicContact CG-CG 4.48Å; M575-V596 HydrophobicContact CB-CG1 4.27Å; M575-V596 HydrophobicContact CG-CG1 4.47Å; M575-V596 HydrophobicContact SD-CG1 4.22Å; M575-A597 WeakPolarHBondContact CA-O 3.15Å; M575-L598 HydrophobicContact CG-CD2 3.68Å; M575-L598 HydrophobicContact SD-CD2 4.04Å; M575-V1335 HydrophobicContact CE-CG1 4.45Å; M575-V1335 HydrophobicContact SD-CG1 4.16Å; M575-Y1344 HydrophobicContact CE-CD1 3.8Å; M575-Y1344 HydrophobicContact CE-CE1 3.6Å; M575-Y1344 HydrophobicContact SD-CD1 3.82Å; M575-Y1344 HydrophobicContact SD-CE1 3.55Å; M575-Y1344 VanDerWaalsContact SD-CE1 3.55Å; M575-W1405 HydrophobicContact SD-CH2 4.16Å; M575-W1405 HydrophobicContact SD-CZ2 4.06Å
576A92.8Very high69.8Low0 Ų044.2 Ų44.20%024%0.243CC..EExtended strand (participates in β ladder)trans-109.3120.5169.600000109.9M539 L542 I578 A597 L599M539-A576 HydrophobicContact CG-CB 4.09Å; M539-A576 HydrophobicContact SD-CB 3.9Å; L542-A576 HydrophobicContact CD1-CB 4.24Å; A576-I578 HydrophobicContact CB-CG1 4.46Å; A576-A597 HydrophobicContact CB-CB 4.44Å; A576-A597 PolarHBondContact N-O 2.94Å; A576-A597 PolarHBondContact O-N 2.77Å; A576-L599 HydrophobicContact CB-CD1 3.97Å
577C92.7Very high69.8Low0 Ų050.8 Ų50.80%027%0.273CS..EExtended strand (participates in β ladder)trans-88.9125.7170.7-168.20000109.1G540 Q541 P579 P1332 Y1333 V1335G540-C577 PolarHBondContact N-O 3.41Å; Q541-C577 HydrophobicContact CB-CB 4.01Å; Q541-C577 PolarHBondContact N-O 2.81Å; Q541-C577 PolarHBondContact O-N 2.86Å; C577-P579 WeakPolarHBondContact O-CD 3.25Å; C577-P1332 VanDerWaalsContact SG-C 3.56Å; C577-P1332 PolarHBondContact SG-O 2.88Å; C577-P1332 VanDerWaalsContact SG-O 3.35Å; C577-Y1333 VanDerWaalsContact SG-C 3.6Å; C577-Y1333 PolarHBondContact SG-O 3.48Å; C577-V1335 HydrophobicContact CB-CG2 3.96Å
578I91.3Very high70Confident0 Ų054.1 Ų54.10%028%0.282CS..EExtended strand (participates in β ladder)trans-123.191.6-171-52.8178.5000108.5L536 P538 M539 A576 R580 G594 G595 A597 W1325L536-I578 HydrophobicContact CB-CD1 4.33Å; L536-I578 HydrophobicContact CD2-CD1 4.01Å; L536-I578 WeakPolarHBondContact O-CD1 3.45Å; P538-I578 WeakPolarHBondContact O-CG2 3.47Å; M539-I578 HydrophobicContact CG-CG1 4.5Å; A576-I578 HydrophobicContact CB-CG1 4.46Å; I578-R580 HydrophobicContact CG2-CG 4.09Å; I578-R580 PolarHBondContact O-N 2.83Å; I578-G594 WeakPolarHBondContact O-CA 3.2Å; I578-G595 PolarHBondContact N-O 3.36Å; I578-G595 PolarHBondContact O-N 2.8Å; I578-A597 HydrophobicContact CD1-CB 4.19Å; I578-W1325 HydrophobicContact CB-CH2 4.03Å; I578-W1325 HydrophobicContact CD1-CH2 3.7Å; I578-W1325 HydrophobicContact CD1-CZ2 4.35Å; I578-W1325 HydrophobicContact CD1-CZ3 4.15Å; I578-W1325 HydrophobicContact CG1-CH2 4.23Å
579P86.3Confident70.3Confident37 Ų3753.7 Ų53.724%0.2428%0.283CS..  trans-78.4107-175.429-33000111.8C577 P1332 Y1333C577-P579 WeakPolarHBondContact O-CD 3.25Å; P579-P1332 WeakPolarHBondContact CA-O 3.37Å; P579-Y1333 HydrophobicContact CB-CD2 3.66Å; P579-Y1333 HydrophobicContact CB-CE2 4.35Å; P579-Y1333 HydrophobicContact CG-CD2 4.13Å; P579-Y1333 HydrophobicContact CG-CE2 4.46Å
580R79.7Confident70.7Confident13 Ų1355 Ų555%0.04930%0.296CS..  trans-147.2103.8178.8-59.1152.8166.2-175.5-4109.8F402 N535 G537 I578 F582 G593 G594 V1331F402-R580 WeakPolarHBondContact O-CD 3.29Å; F402-R580 VanDerWaalsContact O-CG 3.25Å; F402-R580 WeakPolarHBondContact O-CG 3.4Å; F402-R580 PolarHBondContact O-NE 3.35Å; N535-R580 PolarHBondContact ND2-NH2 3.3Å; N535-R580 PolarHBondContact O-NH1 3.37Å; N535-R580 PolarHBondContact O-NH2 2.81Å; G537-R580 PolarHBondContact O-NE 3.43Å; G537-R580 PolarHBondContact O-NH2 3.27Å; I578-R580 HydrophobicContact CG2-CG 4.09Å; I578-R580 PolarHBondContact O-N 2.83Å; R580-F582 PolarHBondContact O-N 2.82Å; R580-G593 WeakPolarHBondContact CD-O 3.35Å; R580-G593 PolarHBondContact NH1-O 2.84Å; R580-G594 PolarHBondContact O-N 3.2Å; R580-V1331 WeakPolarHBondContact O-CG1 3.48Å
581S69.6Low71Confident82 Ų8250.6 Ų50.657%0.57328%0.277SS*.  trans-75.842.4-178.946.20000113.9
582F67.1Low70.5Confident37 Ų3749 Ų4916%0.16227%0.271CS..  trans-132.896.4-170.7-168.8-92000113.3S354 H381 A382 P384 C403 R580 V584 G593S354-F582 VanDerWaalsContact O-CE2 3.29Å; S354-F582 WeakPolarHBondContact O-CE2 3.37Å; H381-F582 AromaticContact CE1-CE2 3.85Å; H381-F582 AromaticContact CE1-CZ 3.68Å; H381-F582 AromaticContact NE2-CE2 3.76Å; H381-F582 AromaticContact NE2-CZ 3.29Å; H381-F582 VanDerWaalsContact NE2-CZ 3.29Å; H381-F582 WeakPolarHBondContact NE2-CZ 3.46Å; A382-F582 VanDerWaalsContact O-CZ 3.29Å; A382-F582 WeakPolarHBondContact O-CZ 3.26Å; P384-F582 HydrophobicContact CG-CD1 3.89Å; P384-F582 HydrophobicContact CG-CD2 4.14Å; P384-F582 HydrophobicContact CG-CE1 3.96Å; P384-F582 HydrophobicContact CG-CE2 4.22Å; P384-F582 HydrophobicContact CG-CG 3.98Å; P384-F582 HydrophobicContact CG-CZ 4.13Å; C403-F582 VanDerWaalsContact SG-CD1 3.51Å; R580-F582 PolarHBondContact O-N 2.82Å; F582-V584 HydrophobicContact CD1-CG2 4.26Å; F582-V584 HydrophobicContact CE1-CG2 3.47Å; F582-V584 VanDerWaalsContact CE1-CG2 3.47Å; F582-V584 HydrophobicContact CZ-CG2 4.23Å; F582-G593 WeakPolarHBondContact O-CA 3.12Å; F582-G593 PolarHBondContact O-N 2.79Å
583N58.7Low69.7Low93 Ų9346.6 Ų46.650%0.49726%0.256SS..  trans-103125.1175.9-68.7-20.8000110.4
584V58.2Low69.2Low9 Ų946.7 Ų46.76%0.05526%0.257CS..BIsolated β-bridgetrans-89.9120.3166.9-173.30000108.2V383 F582 T586 V591V383-V584 HydrophobicContact CG1-CG2 4.34Å; F582-V584 HydrophobicContact CD1-CG2 4.26Å; F582-V584 HydrophobicContact CE1-CG2 3.47Å; F582-V584 VanDerWaalsContact CE1-CG2 3.47Å; F582-V584 HydrophobicContact CZ-CG2 4.23Å; V584-T586 HydrophobicContact CG1-CG2 3.92Å; V584-T586 PolarHBondContact O-N 2.89Å; V584-V591 HydrophobicContact CB-CB 4.05Å; V584-V591 HydrophobicContact CB-CG2 4.26Å; V584-V591 HydrophobicContact CG2-CB 4.2Å
585P54Low69Low115 Ų11546.6 Ų46.675%0.74726%0.256SS*.  trans-71.3111167.228.8-31.5000109.3
586T53.2Low69Low38 Ų3846.6 Ų46.623%0.23326%0.256CS..  trans-133116.9176.329.30000110.1V529 V584 K588 N589 V591V529-T586 HydrophobicContact CG2-CG2 4Å; V584-T586 HydrophobicContact CG1-CG2 3.92Å; V584-T586 PolarHBondContact O-N 2.89Å; T586-K588 PolarHBondContact O-N 2.85Å; T586-N589 WeakPolarHBondContact CB-O 3.35Å; T586-N589 CarbonylContact O-C 3.59Å; T586-N589 VanDerWaalsContact O-C 3.25Å; T586-N589 PolarHBondContact O-N 2.92Å; T586-N589 VanDerWaalsContact O-N 3.1Å; T586-N589 PolarHBondContact OG1-O 3.31Å; T586-V591 PolarHBondContact OG1-N 2.87Å
587E49.8Very low68.9Low202 Ų20246.6 Ų46.694%0.94426%0.256SS*.THydrogen-bonded Turntrans-47.2-53-162.9-61.4164.8153.300114.7
588K52.3Low68.9Low140 Ų14047 Ų4761%0.60926%0.258SS*.THydrogen-bonded Turntrans-86.8-11-175.7-67.7-160.2175.1-1680115.1T586 D729T586-K588 PolarHBondContact O-N 2.85Å; K588-D729 IonicContact NZ-OD1 2.62Å; K588-D729 PolarHBondContact NZ-OD1 2.88Å; K588-D729 VanDerWaalsContact NZ-OD1 3.13Å; K588-D729 IonicContact NZ-OD2 2.7Å; K588-D729 PolarHBondContact NZ-OD2 3.27Å
589N51Low68.9Low101 Ų10147 Ų4754%0.5426%0.259SS..SBendtrans-171.4115.7-179.2-109.4-83.8000109.5R532 T586 V591R532-N589 PolarHBondContact NH2-OD1 2.91Å; T586-N589 WeakPolarHBondContact CB-O 3.35Å; T586-N589 CarbonylContact O-C 3.59Å; T586-N589 VanDerWaalsContact O-C 3.25Å; T586-N589 PolarHBondContact O-N 2.92Å; T586-N589 VanDerWaalsContact O-N 3.1Å; T586-N589 PolarHBondContact OG1-O 3.31Å; N589-V591 PolarHBondContact O-N 2.94Å
590P57Low69Low91 Ų9145.5 Ų45.559%0.59125%0.248SC*.  trans-66.3134.2175.626.6-33.2000111.1S592P590-S592 PolarHBondContact O-N 2.88Å
591V59Low69.4Low8 Ų846 Ų465%0.04825%0.253CS..BIsolated β-bridgetrans-75.4110.1169.4-174.60000107.6V383 D404 V584 T586 N589 G593V383-V591 HydrophobicContact CG1-CG1 3.9Å; D404-V591 HydrophobicContact CB-CG1 4.28Å; V584-V591 HydrophobicContact CB-CB 4.05Å; V584-V591 HydrophobicContact CB-CG2 4.26Å; V584-V591 HydrophobicContact CG2-CB 4.2Å; T586-V591 PolarHBondContact OG1-N 2.87Å; N589-V591 PolarHBondContact O-N 2.94Å; V591-G593 PolarHBondContact O-N 2.83Å; V591-G593 VanDerWaalsContact O-N 3.14Å
592S57.7Low70.3Confident9 Ų942.2 Ų42.26%0.06323%0.226CC..  trans-61.2117.1-176.6-170.20000110.9P590 W1325P590-S592 PolarHBondContact O-N 2.88Å; S592-W1325 VanDerWaalsContact OG-CE2 3.27Å; S592-W1325 WeakPolarHBondContact OG-CZ2 3.21Å; S592-W1325 PolarHBondContact OG-NE1 2.77Å
593G63.2Low71.2Confident0 Ų040.4 Ų40.40%022%0.219CC..  trans-67.2-103.4163.300000109.6R580 F582 V591R580-G593 WeakPolarHBondContact CD-O 3.35Å; R580-G593 PolarHBondContact NH1-O 2.84Å; F582-G593 WeakPolarHBondContact O-CA 3.12Å; F582-G593 PolarHBondContact O-N 2.79Å; V591-G593 PolarHBondContact O-N 2.83Å; V591-G593 VanDerWaalsContact O-N 3.14Å
594G74.4Confident72.2Confident3 Ų336.2 Ų36.23%0.03120%0.196CC..SBendtrans-100.3172.3176.900000113.5I578 R580I578-G594 WeakPolarHBondContact O-CA 3.2Å; R580-G594 PolarHBondContact O-N 3.2Å
595G88.6Confident73.2Confident0 Ų036 Ų360%019%0.194CC..EExtended strand (participates in β ladder)trans166.1-171-17600000112.5I578 I1326 P1332I578-G595 PolarHBondContact N-O 3.36Å; I578-G595 PolarHBondContact O-N 2.8Å; G595-I1326 CarbonylContact C-O 3.42Å; G595-I1326 VanDerWaalsContact CA-O 3.26Å; G595-I1326 WeakPolarHBondContact CA-O 3.31Å; G595-P1332 VanDerWaalsContact CA-CG 3.42Å
596V91.7Very high74.4Confident0 Ų033.3 Ų33.30%017%0.169CC..EExtended strand (participates in β ladder)trans-110.9117.2169.9-163.80000109.7M575 I1326 L1328 P1332 V1335 W1405M575-V596 HydrophobicContact CB-CG1 4.27Å; M575-V596 HydrophobicContact CG-CG1 4.47Å; M575-V596 HydrophobicContact SD-CG1 4.22Å; V596-I1326 HydrophobicContact CB-CB 4.43Å; V596-I1326 PolarHBondContact N-O 3.46Å; V596-I1326 WeakPolarHBondContact O-CB 3.35Å; V596-I1326 PolarHBondContact O-N 2.6Å; V596-L1328 HydrophobicContact CG2-CD1 4.04Å; V596-P1332 HydrophobicContact CG2-CB 4.16Å; V596-P1332 HydrophobicContact CG2-CG 3.96Å; V596-V1335 HydrophobicContact CB-CG2 4.5Å; V596-V1335 HydrophobicContact CG1-CG1 4.48Å; V596-V1335 HydrophobicContact CG1-CG2 4.15Å; V596-V1335 HydrophobicContact CG2-CG2 3.53Å; V596-W1405 HydrophobicContact CB-CH2 4.03Å; V596-W1405 HydrophobicContact CB-CZ3 4.26Å; V596-W1405 HydrophobicContact CG1-CH2 3.9Å; V596-W1405 HydrophobicContact CG2-CH2 3.99Å; V596-W1405 HydrophobicContact CG2-CZ3 3.82Å
597A91.5Very high75.5Confident0 Ų032.4 Ų32.40%017%0.168CC..EExtended strand (participates in β ladder)trans-93.5118.317700000109.6L536 M575 A576 I578 L599 W1325L536-A597 HydrophobicContact CD2-CB 4.23Å; M575-A597 WeakPolarHBondContact CA-O 3.15Å; A576-A597 HydrophobicContact CB-CB 4.44Å; A576-A597 PolarHBondContact N-O 2.94Å; A576-A597 PolarHBondContact O-N 2.77Å; I578-A597 HydrophobicContact CD1-CB 4.19Å; A597-L599 HydrophobicContact CB-CD2 4.28Å; A597-L599 HydrophobicContact CB-CG 4.45Å; A597-W1325 HydrophobicContact CB-CE3 3.86Å; A597-W1325 HydrophobicContact CB-CZ3 3.85Å
598L91.8Very high76.9Confident8 Ų825.3 Ų25.34%0.04214%0.136CC..EExtended strand (participates in β ladder)trans-84.7129.2169.8-48.9-175.8000108.6M575 Y1315 I1323 K1324 I1326 W1405M575-L598 HydrophobicContact CG-CD2 3.68Å; M575-L598 HydrophobicContact SD-CD2 4.04Å; L598-Y1315 HydrophobicContact CB-CE1 4.29Å; L598-I1323 WeakPolarHBondContact O-CA 3.47Å; L598-K1324 HydrophobicContact CB-CB 4.24Å; L598-K1324 HydrophobicContact CD1-CD 4.37Å; L598-K1324 HydrophobicContact CD1-CG 4.39Å; L598-K1324 PolarHBondContact N-O 3.16Å; L598-K1324 PolarHBondContact O-N 2.88Å; L598-I1326 HydrophobicContact CD1-CD1 3.79Å; L598-I1326 HydrophobicContact CD2-CD1 4.17Å; L598-I1326 HydrophobicContact CG-CD1 3.93Å; L598-I1326 HydrophobicContact CG-CG1 4.38Å; L598-W1405 HydrophobicContact CD2-CZ2 4.23Å
599L92Very high78.3Confident1 Ų120.9 Ų20.91%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-130.4130-168.1-58.8175.5000111.2L536 L574 A576 A597 L1321 G1322 I1323 I1727L536-L599 HydrophobicContact CD1-CD2 4.42Å; L574-L599 HydrophobicContact CB-CB 4.13Å; L574-L599 WeakPolarHBondContact CB-O 3.37Å; L574-L599 HydrophobicContact CD2-CB 4.38Å; L574-L599 HydrophobicContact CD2-CD1 4.39Å; L574-L599 HydrophobicContact CG-CB 4.42Å; L574-L599 PolarHBondContact N-O 2.75Å; L574-L599 PolarHBondContact O-N 3Å; A576-L599 HydrophobicContact CB-CD1 3.97Å; A597-L599 HydrophobicContact CB-CD2 4.28Å; A597-L599 HydrophobicContact CB-CG 4.45Å; L599-L1321 HydrophobicContact CB-CD1 4.33Å; L599-L1321 HydrophobicContact CD1-CD1 4.29Å; L599-L1321 HydrophobicContact CD2-CD1 4.32Å; L599-G1322 WeakPolarHBondContact CA-O 3.45Å; L599-I1323 HydrophobicContact CD2-CB 4.31Å; L599-I1323 HydrophobicContact CD2-CD1 4.44Å; L599-I1323 HydrophobicContact CD2-CG1 3.81Å; L599-I1323 HydrophobicContact CD2-CG2 4.1Å; L599-I1727 HydrophobicContact CD1-CD1 3.49Å; L599-I1727 VanDerWaalsContact CD1-CD1 3.49Å
600H89.3Confident79.8Confident5 Ų517.9 Ų17.92%0.02311%0.11CC..EExtended strand (participates in β ladder)trans-125.9140172.5-65.2136.7000111.6S602 R604 Y1315 L1321 G1322H600-S602 WeakPolarHBondContact CB-O 3.28Å; H600-R604 PolarHBondContact NE2-NH1 2.75Å; H600-Y1315 AromaticContact CE1-CE1 3.62Å; H600-Y1315 AromaticContact CE1-CZ 3.58Å; H600-Y1315 PolarHBondContact CE1-OH 3.05Å; H600-Y1315 VanDerWaalsContact CE1-OH 3.24Å; H600-Y1315 AromaticContact ND1-CD1 3.95Å; H600-Y1315 AromaticContact ND1-CE1 3.27Å; H600-Y1315 VanDerWaalsContact ND1-CE1 3.27Å; H600-Y1315 WeakPolarHBondContact ND1-CE1 3.27Å; H600-Y1315 AromaticContact ND1-CZ 3.71Å; H600-L1321 CarbonylContact O-C 3.56Å; H600-L1321 WeakPolarHBondContact O-CA 3.17Å; H600-G1322 PolarHBondContact N-O 3.02Å; H600-G1322 PolarHBondContact O-N 3.32Å
601T88.5Confident81.1Confident24 Ų2417.1 Ų17.115%0.14710%0.098CC..SBendtrans-88.6-8.1165.376.80000112.4I20 F1274 P1275 L1321 H1824 F1825I20-T601 HydrophobicContact CG2-CG2 3.86Å; T601-F1274 WeakPolarHBondContact O-CD1 3.31Å; T601-P1275 WeakPolarHBondContact O-CD 3.45Å; T601-L1321 HydrophobicContact CG2-CD2 3.72Å; T601-H1824 WeakPolarHBondContact CG2-O 3.17Å; T601-H1824 PolarHBondContact OG1-O 2.92Å; T601-F1825 CarbonylContact C-O 3.56Å; T601-F1825 VanDerWaalsContact CA-O 3.23Å; T601-F1825 WeakPolarHBondContact CA-O 3.31Å; T601-F1825 VanDerWaalsContact CB-O 3.29Å; T601-F1825 WeakPolarHBondContact CB-O 3.45Å; T601-F1825 PolarHBondContact N-O 3.34Å; T601-F1825 PolarHBondContact OG1-O 3.22Å
602S87.1Confident82.3Confident2 Ų225.1 Ų25.11%0.01414%0.135CC..SBendtrans-133.9151.8-176.272.40000112.7H600 P1275 S1277 F1825H600-S602 WeakPolarHBondContact CB-O 3.28Å; S602-P1275 CarbonylContact C-O 3.57Å; S602-P1275 VanDerWaalsContact CA-O 3.3Å; S602-P1275 WeakPolarHBondContact CA-O 3.49Å; S602-P1275 WeakPolarHBondContact CB-O 3.44Å; S602-S1277 WeakPolarHBondContact CB-OG 3.1Å; S602-S1277 WeakPolarHBondContact OG-CB 3.48Å; S602-S1277 PolarHBondContact OG-OG 2.87Å; S602-F1825 PolarHBondContact N-O 3.06Å; S602-F1825 VanDerWaalsContact N-O 3.07Å; S602-F1825 PolarHBondContact OG-O 3.2Å; S602-F1825 PolarHBondContact OG-OXT 2.91Å
603V86.9Confident83.5Confident0 Ų026.4 Ų26.40%014%0.14CC..BIsolated β-bridgetrans-84.4134.3173.21800000109.7W1262 F1264 F1274 P1275 S1277 L1311 F1317V603-W1262 VanDerWaalsContact CB-CD1 3.44Å; V603-W1262 HydrophobicContact CB-CG 4.14Å; V603-W1262 HydrophobicContact CG1-CD2 4.37Å; V603-W1262 HydrophobicContact CG1-CG 4.44Å; V603-W1262 HydrophobicContact CG1-CZ2 4.28Å; V603-W1262 HydrophobicContact CG2-CB 4.13Å; V603-W1262 VanDerWaalsContact CG2-CD1 3.49Å; V603-W1262 HydrophobicContact CG2-CD2 4.37Å; V603-W1262 HydrophobicContact CG2-CG 3.75Å; V603-F1264 HydrophobicContact CG2-CE2 3.71Å; V603-F1264 HydrophobicContact CG2-CZ 4Å; V603-F1274 HydrophobicContact CG2-CB 3.8Å; V603-F1274 HydrophobicContact CG2-CG 4.33Å; V603-P1275 PolarHBondContact N-O 2.96Å; V603-S1277 PolarHBondContact O-N 3.48Å; V603-S1277 PolarHBondContact O-OG 3.01Å; V603-L1311 HydrophobicContact CG1-CD2 3.56Å; V603-F1317 HydrophobicContact CG2-CD1 4.16Å; V603-F1317 HydrophobicContact CG2-CE1 3.86Å; V603-F1317 HydrophobicContact CG2-CZ 4.27Å
604R79.4Confident84Confident5 Ų529.8 Ų29.82%0.01916%0.162CC..  trans-124.9102.2-178.4-64.2173.1178.2-162.8-10.3108.8L550 H571 V572 H600 S1277 I1278 P1312 F1825L550-R604 HydrophobicContact CD1-CB 3.72Å; H571-R604 PolarHBondContact O-NH1 2.98Å; V572-R604 PolarHBondContact O-NH1 2.83Å; V572-R604 VanDerWaalsContact O-NH1 3.08Å; V572-R604 PolarHBondContact O-NH2 2.91Å; H600-R604 PolarHBondContact NE2-NH1 2.75Å; R604-S1277 WeakPolarHBondContact CG-OG 3.49Å; R604-I1278 HydrophobicContact CB-CD1 3.73Å; R604-I1278 HydrophobicContact CB-CG1 4.49Å; R604-I1278 HydrophobicContact CG-CD1 4.08Å; R604-I1278 HydrophobicContact CG-CG1 4.45Å; R604-P1312 WeakPolarHBondContact O-CD 3.4Å; R604-P1312 WeakPolarHBondContact O-CG 3.33Å; R604-F1825 PolarHBondContact NE-OXT 2.66Å; R604-F1825 VanDerWaalsContact NE-OXT 3.08Å; R604-F1825 PolarHBondContact NH2-OXT 2.76Å
605P80.1Confident84.2Confident4 Ų435.6 Ų35.63%0.02619%0.189CC..  trans-63.9149.8180-2031.6000112.6H1276 F1297 A1309P605-H1276 WeakPolarHBondContact CD-NE2 3.4Å; P605-H1276 WeakPolarHBondContact CG-CE1 3.48Å; P605-H1276 WeakPolarHBondContact CG-NE2 3.17Å; P605-F1297 HydrophobicContact CB-CE2 4.34Å; P605-F1297 HydrophobicContact CB-CZ 3.82Å; P605-F1297 HydrophobicContact CG-CE2 4.26Å; P605-F1297 HydrophobicContact CG-CZ 3.95Å; P605-A1309 HydrophobicContact CB-CB 3.66Å
606R78.3Confident84Confident58 Ų5836.3 Ų36.322%0.21919%0.192CC..EExtended strand (participates in β ladder)trans-88.3106.5158.5-176.8-174.6-169.8160.28.1108.2L550 A1309 T1310 L1394 N1397L550-R606 HydrophobicContact CD2-CB 3.98Å; L550-R606 HydrophobicContact CD2-CG 4.42Å; R606-A1309 WeakPolarHBondContact O-CA 3.45Å; R606-A1309 VanDerWaalsContact O-CB 3.28Å; R606-A1309 WeakPolarHBondContact O-CB 3.24Å; R606-T1310 PolarHBondContact N-O 3.21Å; R606-T1310 PolarHBondContact O-N 2.91Å; R606-L1394 PolarHBondContact NH2-O 2.95Å; R606-N1397 PolarHBondContact NH1-OD1 2.9Å
607G76.6Confident83.4Confident20 Ų2039.2 Ų39.221%0.20621%0.206CC..EExtended strand (participates in β ladder)trans-59.5141.2169.700000111.3
608L79.2Confident83.2Confident53 Ų5340.4 Ų40.428%0.27721%0.214SC..EExtended strand (participates in β ladder)trans-112.4-54.6174.7-61.1178.5000110.1G553 C1293 L1308 T1310G553-L608 WeakPolarHBondContact CA-O 3.37Å; L608-C1293 HydrophobicContact CD1-CB 3.92Å; L608-L1308 PolarHBondContact N-O 2.84Å; L608-T1310 HydrophobicContact CD1-CG2 4.1Å
609T81.3Confident83.2Confident46 Ų4640 Ų4028%0.28221%0.212SC..EExtended strand (participates in β ladder)trans-146.5155.5178.650.90000110.5L1308T609-L1308 PolarHBondContact O-N 3.04Å
610A81.7Confident83.2Confident38 Ų3841.1 Ų41.131%0.31422%0.216SC..EExtended strand (participates in β ladder)trans-131.4147.7174.100000110.2M1306 R1307A610-M1306 CarbonylContact C-O 3.56Å; A610-M1306 WeakPolarHBondContact CA-O 3.48Å; A610-R1307 HydrophobicContact CB-CG 4Å
611F84.8Confident83.3Confident76 Ų7641.7 Ų41.733%0.33322%0.221SC..EExtended strand (participates in β ladder)trans-134.6129.1177.4-59-97.3000109.4L613 I760 E1305 M1306 L1308F611-L613 HydrophobicContact CB-CD1 4.27Å; F611-L613 HydrophobicContact CB-CG 4.15Å; F611-L613 PolarHBondContact O-N 3.44Å; F611-I760 HydrophobicContact CE2-CD1 4.11Å; F611-I760 HydrophobicContact CZ-CD1 4.11Å; F611-E1305 CarbonylContact O-C 3.55Å; F611-E1305 WeakPolarHBondContact O-CA 2.93Å; F611-M1306 HydrophobicContact CB-CB 4.4Å; F611-M1306 HydrophobicContact CB-CE 4.19Å; F611-M1306 HydrophobicContact CD2-CE 3.51Å; F611-M1306 HydrophobicContact CE2-CE 4.05Å; F611-M1306 HydrophobicContact CG-CE 3.96Å; F611-M1306 PolarHBondContact N-O 3.09Å; F611-M1306 PolarHBondContact O-N 3.02Å; F611-L1308 HydrophobicContact CD2-CD1 4.25Å; F611-L1308 HydrophobicContact CE2-CD1 3.97Å
612E83.5Confident83.5Confident176 Ų17640.6 Ų40.682%0.82221%0.214SC*.EExtended strand (participates in β ladder)trans-79.3107.5172.5-65.8-176.8-176.500109.3
613L83.1Confident83.6Confident36 Ų3643.1 Ų43.119%0.18822%0.224CC..  trans-131.987.9-175.3-71.9-179.6000109.2F611 Y616 L745 M752 F1300 N1304 M1306F611-L613 HydrophobicContact CB-CD1 4.27Å; F611-L613 HydrophobicContact CB-CG 4.15Å; F611-L613 PolarHBondContact O-N 3.44Å; L613-Y616 HydrophobicContact CB-CD2 3.9Å; L613-Y616 HydrophobicContact CB-CE2 4.04Å; L613-Y616 WeakPolarHBondContact O-CD2 3.37Å; L613-L745 HydrophobicContact CD1-CD1 3.94Å; L613-M752 HydrophobicContact CD1-CE 4.15Å; L613-M752 HydrophobicContact CD2-CE 4.17Å; L613-F1300 HydrophobicContact CB-CE1 4.18Å; L613-N1304 CarbonylContact C-O 3.52Å; L613-N1304 VanDerWaalsContact C-O 3.31Å; L613-N1304 PolarHBondContact N-O 3.33Å; L613-N1304 WeakPolarHBondContact O-CB 3.5Å; L613-M1306 HydrophobicContact CD1-CB 4.05Å; L613-M1306 HydrophobicContact CD1-CE 3.91Å; L613-M1306 HydrophobicContact CD1-SD 4.11Å
614P74.8Confident83.4Confident71 Ų7143.5 Ų43.546%0.46123%0.228SC..THydrogen-bonded Turntrans-64.4151.8-17424.6-33.6000113.4Y616 R747P614-Y616 VanDerWaalsContact C-N 3.31Å; P614-Y616 WeakPolarHBondContact O-CD2 3.46Å; P614-Y616 WeakPolarHBondContact O-CE2 3.32Å; P614-Y616 PolarHBondContact O-N 3Å; P614-R747 PolarHBondContact O-NE 2.77Å; P614-R747 PolarHBondContact O-NH2 2.91Å
615E78.2Confident83.5Confident125 Ų12544.2 Ų44.258%0.58423%0.233SC*.THydrogen-bonded Turntrans724.6165.1-60.816317200117N1304E615-N1304 PolarHBondContact N-ND2 3.21Å
616Y84Confident82.8Confident15 Ų1546.8 Ų46.86%0.05925%0.25CC..  trans-79.4133.5173.7-64-82.8000112.6L613 P614 L745 T746 R747 M752 F1300L613-Y616 HydrophobicContact CB-CD2 3.9Å; L613-Y616 HydrophobicContact CB-CE2 4.04Å; L613-Y616 WeakPolarHBondContact O-CD2 3.37Å; P614-Y616 VanDerWaalsContact C-N 3.31Å; P614-Y616 WeakPolarHBondContact O-CD2 3.46Å; P614-Y616 WeakPolarHBondContact O-CE2 3.32Å; P614-Y616 PolarHBondContact O-N 3Å; Y616-L745 HydrophobicContact CD1-CB 3.62Å; Y616-L745 HydrophobicContact CE1-CB 3.86Å; Y616-L745 HydrophobicContact CG-CB 4.25Å; Y616-T746 CarbonylContact C-O 3.57Å; Y616-T746 WeakPolarHBondContact CA-O 3.34Å; Y616-R747 HydrophobicContact CD1-CG 3.57Å; Y616-R747 HydrophobicContact CE1-CG 3.65Å; Y616-R747 HydrophobicContact CG-CG 4.14Å; Y616-M752 HydrophobicContact CE1-CB 3.9Å; Y616-M752 HydrophobicContact CE1-CE 4.28Å; Y616-M752 HydrophobicContact CE2-CE 4.05Å; Y616-M752 WeakPolarHBondContact OH-CE 3.38Å; Y616-M752 PolarHBondContact OH-SD 3.2Å; Y616-F1300 HydrophobicContact CD2-CZ 4.18Å; Y616-F1300 HydrophobicContact CG-CE2 4.4Å; Y616-F1300 AromaticContact CG-CZ 3.95Å; Y616-F1300 HydrophobicContact CG-CZ 3.95Å
617M80.6Confident82.2Confident61 Ų6146.6 Ų46.630%0.325%0.252SS..  trans-96.8-39.6-175.3-61.9-61.9177.500112.3T746 E748 R1237M617-T746 PolarHBondContact N-O 2.99Å; M617-E748 HydrophobicContact CE-CG 3.82Å; M617-E748 WeakPolarHBondContact CE-OE1 3.3Å; M617-E748 HydrophobicContact CG-CG 4.3Å; M617-R1237 PolarHBondContact O-NH1 3.43Å; M617-R1237 PolarHBondContact SD-NH2 2.98Å
618S86.2Confident81Confident24 Ų2452 Ų5217%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-144.8152.4-170.346.80000112.3W620 T746 S1284S618-W620 WeakPolarHBondContact OG-CH2 3.47Å; S618-T746 PolarHBondContact N-O 3.06Å; S618-T746 PolarHBondContact O-N 3.44Å; S618-S1284 WeakPolarHBondContact CA-OG 3.34Å
619L91Very high79Confident0 Ų054.1 Ų54.10%029%0.29CS..EExtended strand (participates in β ladder)trans-137.8143.6178.478.594.9000113L743 L744 L745 R1242 S1284 A1286 V1298 F1300L619-L743 HydrophobicContact CD1-CD1 4.32Å; L619-L744 CarbonylContact C-O 3.58Å; L619-L744 VanDerWaalsContact CA-O 3.25Å; L619-L744 WeakPolarHBondContact CA-O 3.24Å; L619-L745 HydrophobicContact CB-CD2 3.5Å; L619-R1242 PolarHBondContact O-NH2 2.88Å; L619-S1284 PolarHBondContact N-OG 3.25Å; L619-A1286 HydrophobicContact CD1-CB 3.39Å; L619-V1298 HydrophobicContact CD1-CG1 3.73Å; L619-V1298 HydrophobicContact CD2-CG2 4.45Å; L619-F1300 HydrophobicContact CB-CD2 4.23Å; L619-F1300 HydrophobicContact CB-CE2 4.08Å; L619-F1300 HydrophobicContact CD2-CD2 3.62Å; L619-F1300 HydrophobicContact CD2-CE2 4.09Å; L619-F1300 HydrophobicContact CD2-CG 4.28Å; L619-F1300 HydrophobicContact CG-CD2 4.47Å
620W92Very high76.4Confident24 Ų2457.5 Ų57.59%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-130.4148.4171.9-54.3-106000110.1S618 L743 L744 T746 T774 A777S618-W620 WeakPolarHBondContact OG-CH2 3.47Å; W620-L743 CarbonylContact O-C 3.54Å; W620-L743 WeakPolarHBondContact O-CA 3.37Å; W620-L743 WeakPolarHBondContact O-CD1 3.45Å; W620-L744 HydrophobicContact CE3-CB 4.08Å; W620-L744 PolarHBondContact N-O 2.92Å; W620-L744 PolarHBondContact O-N 3.26Å; W620-T746 HydrophobicContact CH2-CG2 4.44Å; W620-T746 WeakPolarHBondContact CZ3-OG1 3.09Å; W620-T774 HydrophobicContact CH2-CG2 4.2Å; W620-T774 WeakPolarHBondContact CH2-O 3.18Å; W620-T774 HydrophobicContact CZ3-CG2 4.24Å; W620-A777 HydrophobicContact CB-CB 4.11Å; W620-A777 HydrophobicContact CD2-CB 4.33Å; W620-A777 HydrophobicContact CG-CB 4.03Å
621S92.9Very high73.8Confident17 Ų1761.8 Ų61.812%0.11934%0.335CS..EExtended strand (participates in β ladder)trans-111.1145.9170.957.50000109.9H740 P1287S621-H740 PolarHBondContact OG-CD2 3.47Å; S621-P1287 VanDerWaalsContact CB-O 3.25Å; S621-P1287 WeakPolarHBondContact CB-O 3.38Å; S621-P1287 PolarHBondContact OG-O 3.27Å
622L92Very high71Confident2 Ų267 Ų671%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-138.1143.2-174.1-62170.2000112H740 S741 Y742 L744 F768 A777 N779 I835L622-H740 WeakPolarHBondContact O-CA 3.44Å; L622-S741 PolarHBondContact O-N 3.13Å; L622-Y742 PolarHBondContact N-O 2.99Å; L622-Y742 PolarHBondContact O-N 3.29Å; L622-L744 HydrophobicContact CD1-CD1 3.86Å; L622-F768 HydrophobicContact CD1-CE1 4.45Å; L622-A777 HydrophobicContact CD1-CB 4.27Å; L622-A777 HydrophobicContact CD2-CB 4.24Å; L622-N779 WeakPolarHBondContact CA-OD1 3.41Å; L622-I835 HydrophobicContact CB-CD1 4.42Å; L622-I835 HydrophobicContact CD1-CD1 4.29Å; L622-I835 HydrophobicContact CD1-CG1 4.36Å; L622-I835 HydrophobicContact CD1-CG2 3.69Å
623Y89.3Confident68.1Low55 Ų5563.7 Ų63.722%0.21636%0.356CS..EExtended strand (participates in β ladder)trans-79.4145.2168.3-59.1-79.9000110.6L738 T739 H740 N779 F782Y623-L738 HydrophobicContact CD1-CB 3.94Å; Y623-L738 HydrophobicContact CD1-CD2 4.22Å; Y623-L738 HydrophobicContact CE1-CB 3.67Å; Y623-T739 WeakPolarHBondContact CD1-O 3.44Å; Y623-H740 AromaticContact CE1-CE1 3.5Å; Y623-H740 VanDerWaalsContact CE1-CE1 3.5Å; Y623-H740 WeakPolarHBondContact CE1-CE1 3.3Å; Y623-H740 AromaticContact CE1-ND1 3.58Å; Y623-H740 AromaticContact CE1-NE2 3.88Å; Y623-H740 AromaticContact CE2-NE2 3.87Å; Y623-H740 AromaticContact CZ-CE1 3.35Å; Y623-H740 AromaticContact CZ-ND1 3.92Å; Y623-H740 AromaticContact CZ-NE2 3.43Å; Y623-H740 PolarHBondContact OH-CE1 3.01Å; Y623-H740 PolarHBondContact OH-NE2 3.08Å; Y623-N779 WeakPolarHBondContact CD2-OD1 3.44Å; Y623-N779 PolarHBondContact N-OD1 3.4Å; Y623-N779 PolarHBondContact O-ND2 2.85Å; Y623-F782 HydrophobicContact CD2-CE2 4.07Å; Y623-F782 AromaticContact CD2-CZ 3.68Å; Y623-F782 HydrophobicContact CD2-CZ 3.68Å; Y623-F782 HydrophobicContact CE2-CE2 4.47Å; Y623-F782 HydrophobicContact CE2-CZ 4.12Å; Y623-F782 HydrophobicContact CG-CZ 4.1Å
624G83.4Confident65.4Low8 Ų869 Ų698%0.08238%0.384CS..  trans172.6179.6178.900000111.6S741G624-S741 WeakPolarHBondContact O-CB 3.3Å; G624-S741 PolarHBondContact O-OG 3.41Å
625P79.6Confident63.1Low20 Ų2071.3 Ų71.313%0.1340%0.399CS..  trans-77.7142.6-179.233.2-33.3000110.2Y742 Y832P625-Y742 WeakPolarHBondContact O-CE2 3.45Å; P625-Y742 PolarHBondContact O-OH 3.36Å; P625-Y832 HydrophobicContact CB-CD1 4.2Å; P625-Y832 HydrophobicContact CB-CE1 3.86Å; P625-Y832 HydrophobicContact CG-CD1 4.39Å; P625-Y832 HydrophobicContact CG-CD2 4.5Å; P625-Y832 HydrophobicContact CG-CE1 3.86Å; P625-Y832 HydrophobicContact CG-CE2 3.97Å
626P66.8Low60.5Low58 Ų5870.8 Ų70.838%0.37741%0.409SS..  trans-71.5137.716930.5-33.7000110.2I628P626-I628 PolarHBondContact O-N 2.78Å
627I65.7Low57.8Low53 Ų5375 Ų7527%0.27244%0.44SS..  trans-84104.6178.8-51.1176.5000107.7T629 Y742 E755 L763 P849I627-T629 PolarHBondContact O-N 3.26Å; I627-Y742 HydrophobicContact CD1-CE1 4.13Å; I627-Y742 WeakPolarHBondContact CG1-OH 3.39Å; I627-E755 WeakPolarHBondContact CB-OE2 3.49Å; I627-E755 PolarHBondContact N-OE1 2.92Å; I627-L763 HydrophobicContact CD1-CD1 3.65Å; I627-L763 HydrophobicContact CD1-CD2 4.17Å; I627-P849 HydrophobicContact CD1-CB 4.01Å; I627-P849 HydrophobicContact CD1-CG 3.84Å; I627-P849 HydrophobicContact CG1-CG 4.37Å
628I51.9Low55.2Low133 Ų13377.7 Ų77.768%0.68246%0.462SS*.  trans-70.787.4171.4-53.9177.4000108P626 P630P626-I628 PolarHBondContact O-N 2.78Å; I628-P630 WeakPolarHBondContact O-CD 3.49Å
629T35.4Very low52.3Low99 Ų9983.2 Ų83.261%0.60750%0.495SS*.  trans-59.9119.5166.9370000108.4I627 V631I627-T629 PolarHBondContact O-N 3.26Å; T629-V631 PolarHBondContact O-N 3Å
630P28.1Very low49.1Very low116 Ų11687.9 Ų87.975%0.75353%0.528SS*.  trans-74.195.4178.529.6-32.7000108.5I628 Q632I628-P630 WeakPolarHBondContact O-CD 3.49Å; P630-Q632 PolarHBondContact O-N 3.27Å; P630-Q632 VanDerWaalsContact O-N 3.11Å
631V26.7Very low45.7Very low128 Ų12896.8 Ų96.878%0.77657%0.567SS**  trans-47.6121.6162.3176.30000107T629 S633T629-V631 PolarHBondContact O-N 3Å; V631-S633 VanDerWaalsContact C-N 3.26Å; V631-S633 PolarHBondContact O-N 3.28Å
632Q25.5Very low42.5Very low186 Ų186101.5 Ų101.587%0.86960%0.597SS**  trans-68.588.6-179.1-73.1-170.6-1.500109.6P630 I634P630-Q632 PolarHBondContact O-N 3.27Å; P630-Q632 VanDerWaalsContact O-N 3.11Å; Q632-I634 PolarHBondContact O-N 3.36Å
633S23.6Very low39.3Very low106 Ų106106.8 Ų106.874%0.74163%0.634SS**  trans-64.299.5169.643.50000108.7V631V631-S633 VanDerWaalsContact C-N 3.26Å; V631-S633 PolarHBondContact O-N 3.28Å
634I26.6Very low36.4Very low148 Ų148111.9 Ų111.976%0.75966%0.664SS**  trans-47.4123.6163.1-62.2169.5000106.5Q632 S636Q632-I634 PolarHBondContact O-N 3.36Å; I634-S636 VanDerWaalsContact C-N 3.26Å; I634-S636 PolarHBondContact O-N 3.03Å
635P24.9Very low33.7Very low120 Ų120114.1 Ų114.178%0.77969%0.686SS**  trans-75.576.5-167.628.7-35.8000112.1S637P635-S637 PolarHBondContact O-N 2.82Å
636S23.9Very low31.1Very low114 Ų114119.5 Ų119.580%0.79772%0.719SS**  trans-76.471.3170.662.10000110.6I634I634-S636 VanDerWaalsContact C-N 3.26Å; I634-S636 PolarHBondContact O-N 3.03Å
637S26.8Very low29.2Very low103 Ų103123.3 Ų123.372%0.7274%0.736SS**  trans-93.8155.9168.684.80000110P635P635-S637 PolarHBondContact O-N 2.82Å
638P27.8Very low27.3Very low117 Ų117126.3 Ų126.376%0.7676%0.762SS**  -125.2129.3-96.426.1-8.3000113.1
639V24.8Very low26.2Very low141 Ų141125 Ų12586%0.85577%0.765SS**  trans-100.199.8175.8-179.50000109.8
640S23.2Very low26Very low98 Ų98126.5 Ų126.569%0.68578%0.776SS**  trans-56.8149.7159.348.30000110.2P642S640-P642 VanDerWaalsContact O-CD 3.26Å; S640-P642 WeakPolarHBondContact O-CD 3.47Å
641K21.4Very low25.8Very low210 Ų210127.1 Ų127.191%0.91378%0.778SS**  trans-75.3131.6175.7-67.4178.4179176.20111
642P25Very low25.8Very low117 Ų117127.8 Ų127.876%0.7678%0.783SS**  trans-128.6101.3157.432.6-12.6000110.9S640S640-P642 VanDerWaalsContact O-CD 3.26Å; S640-P642 WeakPolarHBondContact O-CD 3.47Å
643S25.8Very low25.9Very low112 Ų112123.1 Ų123.178%0.78378%0.775SS**  trans-81.7136.8148.555.40000106.6
644I28.3Very low26.8Very low163 Ų163123.2 Ų123.284%0.83677%0.774SS**  cis-145.8152.927.4-63.2166.3000106.4
645G25.8Very low27Very low54 Ų54123.8 Ų123.856%0.55778%0.778SS**  cis128.7130.44.700000111.6
646T25.9Very low27.1Very low133 Ų133121.4 Ų121.482%0.81678%0.776SS**  trans-171.2139.6163.46.90000114.2
647N26.7Very low27.3Very low138 Ų138125.5 Ų125.574%0.73878%0.779SS**  trans67.787.2147.3-58.7-7.3000122.8
648S26.3Very low27.4Very low117 Ų117126.8 Ų126.882%0.81878%0.777SS**  58.2138117.962.20000123.7
649S27.7Very low27.3Very low106 Ų106128.5 Ų128.574%0.74178%0.775SS**  trans-79.5173.6179.456.30000116.2
650P30.8Very low27.6Very low130 Ų130128.4 Ų128.484%0.84477%0.768SS**  -141.6177.3107.638.8-25.3000116.1
651T25.1Very low28.1Very low129 Ų129128.1 Ų128.179%0.79176%0.764SS**  trans-108.4167-168.244.60000115.7
652T25.9Very low28.3Very low142 Ų142125.9 Ų125.987%0.87176%0.757SS**  trans168.2155.6132.1-67.30000112.6
653A28.2Very low28.4Very low87 Ų87128.3 Ų128.372%0.71976%0.762SS**  trans-122.6-150.5-178.100000111.8
654P42.5Very low28.5Very low108 Ų108130.6 Ų130.670%0.70176%0.76SS**  cis-141.1-142.610.544.4-20.7000115.1
655N30Very low28.3Very low160 Ų160127.9 Ų127.986%0.85676%0.755SS**  trans87.1126173.4-56.9-24.6000118.1
656G28.1Very low28.4Very low71 Ų71133.9 Ų133.973%0.73277%0.769SS**  cis161.6122.6-19.100000116.7
657K27.9Very low28.4Very low200 Ų200135.7 Ų135.787%0.8777%0.768SS**  trans67.9162.2161.7-68.6-172157.7-164.30116.9
658L27.8Very low28.3Very low130 Ų130137.6 Ų137.668%0.68177%0.773SS**  cis-169.1-172.6-11.2-110.1175.5000107.5
659E26.6Very low28.6Very low152 Ų152140.1 Ų140.171%0.7177%0.769SS**  cis-147.2147.96.7-71.7-165.1142.200111.9
660I30.7Very low28.6Very low139 Ų139143.2 Ų143.271%0.71378%0.775SS**  52.3137.6128.7-59.9172.8000121.7
661P34.3Very low28.4Very low93 Ų93143.4 Ų143.460%0.60477%0.769SS**  cis-139.1169-1938.7-19.7000118
662E24.5Very low28.6Very low162 Ų162145.1 Ų145.176%0.75777%0.768SS**  trans52.4138.8145.8-70.1153.5-125.300121.2
663I28.3Very low28.7Very low169 Ų169144 Ų14487%0.86776%0.757SS**  cis-123.7156.837.7-67170.5000113.3
664H27Very low28.7Very low159 Ų159146.6 Ų146.674%0.73676%0.758SS**  trans-65169.4-178.5-67.6-81.9000115.6
665S24.8Very low28Very low106 Ų106147 Ų14774%0.74176%0.758SS**  cis-156.6140.627.458.10000117.4
666E26.3Very low27.8Very low181 Ų181147.6 Ų147.685%0.84676%0.756SS**  trans-150.5-176.6149.4-78.2-153.9136.300109.4
667E26.1Very low27.7Very low171 Ų171153.6 Ų153.680%0.79976%0.762SS**  trans96.6138.9150.2-71.8-166.9141.300125
668E24.7Very low28.2Very low178 Ų178149.5 Ų149.583%0.83276%0.756SS**  trans80.6164.4141.9-80.3-155.4145.500125.8
669K32.7Very low28.1Very low170 Ų170149.2 Ų149.274%0.73976%0.759SS**  trans-141163.1-161.9-63.9176.9170-171.70111.5
670I27.6Very low28.1Very low170 Ų170149.6 Ų149.687%0.87276%0.761SS**  trans-139140.8154.5-60-177.2000109
671D27.6Very low27.9Very low135 Ų135149.6 Ų149.672%0.72276%0.762SS**  trans-125.4152.4-177.2-86-54.8000111.8
672E29Very low27.6Very low165 Ų165150.2 Ų150.277%0.77176%0.76SS**  trans-152.5126.3159.4-92.9-152.4-160.500113.2
673N27.1Very low27.6Very low119 Ų119149.7 Ų149.764%0.63676%0.758SS**  trans58.4147138.5-59.2-40.7000121.9
674L28.6Very low27.5Very low141 Ų141148.3 Ų148.374%0.73875%0.752SS**  cis-170.6150.4-10.4-107.9167.9000110
675V28.2Very low27.3Very low116 Ų116146.3 Ų146.370%0.70375%0.751SS**  trans66.6139.8154.9173.80000118
676E26Very low27.3Very low173 Ų173150.5 Ų150.581%0.80876%0.759SS**  cis-143.4162.4-3.9-133.8145.8-135.800107.4
677K25.2Very low27.2Very low196 Ų196150.8 Ų150.885%0.85276%0.758SS**  cis90.715025-87.1-145.9174-167.20117.6
678P39.5Very low27Very low114 Ų114148.8 Ų148.874%0.7476%0.757SS**  trans-140.1-176.4-138.245.4-27.5000118
679T26.2Very low26.9Very low124 Ų124148.4 Ų148.476%0.76176%0.759SS**  trans-155.1146.4167.141.70000108.5
680E26.7Very low26.5Very low160 Ų160143.3 Ų143.375%0.74876%0.755SS**  cis-160.1155.63.4-107.7168.9-168.200110.7
681L26.3Very low26.2Very low139 Ų139142 Ų14273%0.72876%0.755SS**  trans38.7145.3139-48.3166.8000121.1
682N27.5Very low25.9Very low106 Ų106141.4 Ų141.457%0.56776%0.761SS**  cis-160.1152.8-2-119.724.9000110.6
683E24Very low25.7Very low152 Ų152142.1 Ų142.171%0.7176%0.764SS**  44.711499.2-51.7-177.3143.700113
684D26.2Very low25.5Very low140 Ų140141.3 Ų141.375%0.74977%0.768SS**  -157.7155.550.1-93.4-49.3000111.7
685T23.5Very low25.3Very low117 Ų117141.6 Ų141.672%0.71877%0.769SS**  73.193.355.5-34.20000115.3
686E25.1Very low25.1Very low193 Ų193141.9 Ų141.990%0.90277%0.771SS**  179.1-166.7122.7-96.3-156.1158.600112.7
687K23.3Very low25.2Very low187 Ų187139.3 Ų139.381%0.81376%0.763SS**  trans-154.2134.9-144.5-153-176.5-169.7178.90114.5
688T21.2Very low25.4Very low130 Ų130135.9 Ų135.980%0.79875%0.753SS**  trans73.1163.3160.68.20000119.2
689I24.3Very low24.8Very low169 Ų169137.1 Ų137.187%0.86775%0.754SS**  trans85102.7171.6-51.2178.6000117.2
690G23.2Very low25Very low63 Ų63135 Ų13565%0.64975%0.749SS**  85.298.6104.800000120.8
691V22.1Very low25.1Very low144 Ų144133.4 Ų133.487%0.87375%0.746SS**  trans27.6114.9133.3-173.20000119
692S21.9Very low25.3Very low121 Ų121133.4 Ų133.485%0.84674%0.74SS**  -178.1174.1126.833.30000111.1
693E23.3Very low25.3Very low181 Ų181135.1 Ų135.185%0.84674%0.744SS**  trans-104.1175.7-161.6-56.2166.510800114.7
694S23.3Very low25.6Very low101 Ų101133.2 Ų133.271%0.70674%0.744SS**  trans108112.6135.4770000121.3
695I24.8Very low25.7Very low148 Ų148131.1 Ų131.176%0.75974%0.74SS**  74.4139.5120.7-64.5171.8000120.5
696T24Very low26Very low121 Ų121133.3 Ų133.374%0.74274%0.739SS**  trans66.1146.1171.343.40000116.8
697D28Very low26Very low120 Ų120130.8 Ų130.864%0.64273%0.732SS**  cis-153.6149.517.3-125.3-4.4000111.5
698N28.3Very low26.1Very low123 Ų123127.4 Ų127.466%0.65872%0.723SS**  trans49.4149.9141-55.2-27.2000121.7
699D28.4Very low26.2Very low140 Ų140128.8 Ų128.875%0.74972%0.72SS**  cis-165167.8-2.5-129-36.2000111
700A30Very low26.4Very low81 Ų81125.6 Ų125.667%0.66971%0.71SS**  trans42153.8146.700000121.4
701D28.8Very low26.4Very low126 Ų126128.6 Ų128.667%0.67472%0.716SS**  cis-171.3169.13.8-119.711.8000104.3
702K30.8Very low26.6Very low139 Ų139128 Ų12860%0.60471%0.712SS**  cis-175.4167.5-9.5-115.4-179.5-158.3-45.50105.8
703E27.8Very low26.6Very low141 Ų141129.1 Ų129.166%0.65971%0.709SS**  cis-163.6162.2-19.5-135.2159.5-151.800103.1
704T30.1Very low26.7Very low113 Ų113128.3 Ų128.369%0.69371%0.708SS**  cis-156.8123.547.748.70000109.4
705S28.8Very low26.8Very low95 Ų95128.2 Ų128.266%0.66471%0.708SS**  75.5136.290.496.20000113.7
706K27.9Very low26.7Very low164 Ų164128.8 Ų128.871%0.71371%0.713SS**  cis-169.5173.414-120.5167.1175.1-168.90108.4
707D25.9Very low26.6Very low139 Ų139130.4 Ų130.474%0.74371%0.712SS**  cis-137.8169.218.9-94.7-58000114.3
708N25.2Very low26.4Very low117 Ų117130.3 Ų130.363%0.62671%0.711SS**  trans-107.3165.3-173.8-56.274000109.4
709E22.6Very low26.1Very low158 Ų158133.9 Ų133.974%0.73872%0.724SS**  cis-175.8-165.7-1.2-116.1172.163.800106.8
710P29.8Very low25.9Very low102 Ų102135.5 Ų135.566%0.66272%0.724SS**  cis-131.6174.3-11.920.35000115.6
711V22.6Very low25.6Very low126 Ų126135.4 Ų135.476%0.76472%0.724SS**  trans-93.5149.8157171.20000109.5
712V26.3Very low25.4Very low131 Ų131135.2 Ų135.279%0.79473%0.727SS**  trans-119.2127.5163.3174.10000108.3
713N22.1Very low25.1Very low145 Ų145133.9 Ų133.978%0.77573%0.73SS**  trans-68.1140.4177.4-66.1-4.6000111.2
714I26.2Very low24.9Very low164 Ų164132.4 Ų132.484%0.84173%0.727SS**  trans-119.7144.3144.6-67.5-177.3000106.4
715S24.3Very low24.5Very low99 Ų99134.9 Ų134.969%0.69273%0.73SS**  trans-63.5157.1-170.146.40000114.8E717S715-E717 PolarHBondContact O-N 3.11Å
716D23.3Very low24.3Very low161 Ų161136.5 Ų136.586%0.86173%0.731SS**  trans-52.6122.1161.2-51-90.9000111.2
717E21.3Very low24Very low155 Ų155135 Ų13572%0.72473%0.731SS**  trans-161.8141.9149.7-123.7174.2-139.500108.8S715S715-E717 PolarHBondContact O-N 3.11Å
718N23.2Very low23.9Very low117 Ų117137.6 Ų137.663%0.62674%0.736SS**  trans5871.2-178.7-67.2-80.6000115.8K720N718-K720 HydrophobicContact CB-CG 4.38Å; N718-K720 PolarHBondContact O-N 3.33Å
719E23.7Very low23.8Very low199 Ų199137.5 Ų137.593%0.9374%0.736SS**  trans-56.695.5130.8-84.8-159.1138.500107.2A721E719-A721 PolarHBondContact O-N 2.93Å
720K23.4Very low23.8Very low174 Ų174133.1 Ų133.176%0.75773%0.726SS**  trans-67.192.4165.2-81.7-168.2173.8-174.70107.6N718 V722N718-K720 HydrophobicContact CB-CG 4.38Å; N718-K720 PolarHBondContact O-N 3.33Å; K720-V722 PolarHBondContact O-N 2.9Å
721A24.3Very low23.5Very low79 Ų79137 Ų13765%0.65374%0.736SS**  trans-45.3115.1154.300000107E719 V723E719-A721 PolarHBondContact O-N 2.93Å; A721-V723 PolarHBondContact O-N 2.89Å
722V24.8Very low23.6Very low122 Ų122135.7 Ų135.774%0.73973%0.732SS**  trans-7188171-175.90000105.6K720 N724K720-V722 PolarHBondContact O-N 2.9Å; V722-N724 VanDerWaalsContact CG1-OD1 3.3Å; V722-N724 WeakPolarHBondContact CG1-OD1 3.47Å; V722-N724 PolarHBondContact O-N 3.1Å
723V23.2Very low23.5Very low111 Ų111136 Ų13667%0.67373%0.725SS**  trans-63.694.2163.1-177.90000105.1A721 E725A721-V723 PolarHBondContact O-N 2.89Å; V723-E725 HydrophobicContact CG1-CG 3.92Å; V723-E725 PolarHBondContact O-N 3.43Å
724N24.6Very low23.7Very low110 Ų110136.6 Ų136.659%0.58873%0.727SS**  trans-63.394.1164.5-71.9-14.7000106.6V722 D726V722-N724 VanDerWaalsContact CG1-OD1 3.3Å; V722-N724 WeakPolarHBondContact CG1-OD1 3.47Å; V722-N724 PolarHBondContact O-N 3.1Å; N724-D726 HydrophobicContact CB-CB 4.27Å; N724-D726 PolarHBondContact O-N 2.61Å
725E22.1Very low24Very low165 Ų165133.5 Ų133.577%0.77172%0.72SS**  trans-72.145.5159.1-65-164.4134.900110.3V723 N727V723-E725 HydrophobicContact CG1-CG 3.92Å; V723-E725 PolarHBondContact O-N 3.43Å; E725-N727 PolarHBondContact O-N 3Å
726D24.1Very low24.8Very low129 Ų129131.6 Ų131.669%0.6971%0.707SS**  trans-70.355.2163.1-75-29.9000108.7N724N724-D726 HydrophobicContact CB-CB 4.27Å; N724-D726 PolarHBondContact O-N 2.61Å
727N21.9Very low26.3Very low133 Ų133130.1 Ų130.171%0.71170%0.699SS**  trans-12818.4-172.7-123.5-2.3000112.3E725E725-N727 PolarHBondContact O-N 3Å
728F22.4Very low28.6Very low193 Ų193125.9 Ų125.985%0.84668%0.681SS**SBendtrans-134.664.5175.4-80.1-76.3000111.8
729D23.9Very low31.5Very low114 Ų114123 Ų12361%0.6167%0.667SS**  trans-149.36.2157.8-86.4-30.4000112.1K588 E731K588-D729 IonicContact NZ-OD1 2.62Å; K588-D729 PolarHBondContact NZ-OD1 2.88Å; K588-D729 VanDerWaalsContact NZ-OD1 3.13Å; K588-D729 IonicContact NZ-OD2 2.7Å; K588-D729 PolarHBondContact NZ-OD2 3.27Å; D729-E731 PolarHBondContact O-N 3.11Å; D729-E731 VanDerWaalsContact O-N 3.08Å
730A22.8Very low34.6Very low66 Ų66113.9 Ų113.955%0.54563%0.625SS.*THydrogen-bonded Turntrans-73-0.4-169.400000115.4S732A730-S732 PolarHBondContact O-N 3.31Å
731E22.2Very low37.7Very low185 Ų185105.8 Ų105.886%0.86459%0.59SS**THydrogen-bonded Turntrans-88.63.5-173.5-59.7-165.3134.600114.2D729D729-E731 PolarHBondContact O-N 3.11Å; D729-E731 VanDerWaalsContact O-N 3.08Å
732S25.1Very low40.9Very low97 Ų97102 Ų10268%0.67856%0.559SS**SBendtrans-106.2-15.5177.9660000115.3A730 L734A730-S732 PolarHBondContact O-N 3.31Å; S732-L734 PolarHBondContact O-N 3.46Å
733E24.6Very low44.1Very low138 Ų13896.4 Ų96.465%0.64553%0.525SS*.  trans-73.4-10-174-63.4-166134.800114.5S735 S736E733-S735 PolarHBondContact O-N 2.9Å; E733-S736 WeakPolarHBondContact O-CB 3.33Å; E733-S736 PolarHBondContact O-N 2.95Å; E733-S736 PolarHBondContact O-OG 3.5Å
734L26.6Very low47.5Very low157 Ų15791.1 Ų91.182%0.82249%0.493SS*.THydrogen-bonded Turntrans-646.7-169.3-80.2155000116.8S732S732-L734 PolarHBondContact O-N 3.46Å
735S31.6Very low50.7Low99 Ų9985.9 Ų85.969%0.69247%0.465SS*.THydrogen-bonded Turntrans-115.7-6.717560.90000114.7E733E733-S735 PolarHBondContact O-N 2.9Å
736S41.8Very low54Low59 Ų5978.2 Ų78.241%0.41343%0.429SS..  trans-84.1-36-157.657.90000116.5E733 L738E733-S736 WeakPolarHBondContact O-CB 3.33Å; E733-S736 PolarHBondContact O-N 2.95Å; E733-S736 PolarHBondContact O-OG 3.5Å; S736-L738 VanDerWaalsContact C-N 3.3Å; S736-L738 PolarHBondContact O-N 2.98Å; S736-L738 VanDerWaalsContact O-N 3.12Å
737D55.7Low57.1Low130 Ų13074.9 Ų74.970%0.69541%0.407SS*.  trans-91.935.3-161.7-12310.1000115T739D737-T739 PolarHBondContact O-N 3.49Å
738L69.6Low60Low67 Ų6775.5 Ų75.535%0.35141%0.405SS..  trans-74.9113.8167.1-85.2162.5000109.7Y623 S736 F782 N1289Y623-L738 HydrophobicContact CD1-CB 3.94Å; Y623-L738 HydrophobicContact CD1-CD2 4.22Å; Y623-L738 HydrophobicContact CE1-CB 3.67Å; S736-L738 VanDerWaalsContact C-N 3.3Å; S736-L738 PolarHBondContact O-N 2.98Å; S736-L738 VanDerWaalsContact O-N 3.12Å; L738-F782 HydrophobicContact CD1-CE1 3.73Å; L738-F782 HydrophobicContact CD1-CZ 4.34Å; L738-F782 HydrophobicContact CD2-CE1 4.14Å; L738-N1289 PolarHBondContact O-ND2 3.39Å
739T82.3Confident63.2Low56 Ų5671.5 Ų71.534%0.34439%0.393SS..  trans-102.1137.7179480000111.4Y623 D737 N1289Y623-T739 WeakPolarHBondContact CD1-O 3.44Å; D737-T739 PolarHBondContact O-N 3.49Å; T739-N1289 WeakPolarHBondContact CA-O 3.44Å
740H89.3Confident66.4Low8 Ų867.4 Ų67.44%0.03737%0.373CS..EExtended strand (participates in β ladder)trans-79.4130.4172.6-58.869.3000108.1S621 L622 Y623 L1288 N1289S621-H740 PolarHBondContact OG-CD2 3.47Å; L622-H740 WeakPolarHBondContact O-CA 3.44Å; Y623-H740 AromaticContact CE1-CE1 3.5Å; Y623-H740 VanDerWaalsContact CE1-CE1 3.5Å; Y623-H740 WeakPolarHBondContact CE1-CE1 3.3Å; Y623-H740 AromaticContact CE1-ND1 3.58Å; Y623-H740 AromaticContact CE1-NE2 3.88Å; Y623-H740 AromaticContact CE2-NE2 3.87Å; Y623-H740 AromaticContact CZ-CE1 3.35Å; Y623-H740 AromaticContact CZ-ND1 3.92Å; Y623-H740 AromaticContact CZ-NE2 3.43Å; Y623-H740 PolarHBondContact OH-CE1 3.01Å; Y623-H740 PolarHBondContact OH-NE2 3.08Å; H740-L1288 HydrophobicContact CB-CD1 3.99Å; H740-N1289 PolarHBondContact N-O 3.01Å; H740-N1289 PolarHBondContact ND1-N 3.21Å; H740-N1289 PolarHBondContact ND1-O 3.4Å
741S88.6Confident69.7Low3 Ų364.5 Ų64.52%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-117.4-15.3-173.3-57.10000112.9L622 G624 E755 V756L622-S741 PolarHBondContact O-N 3.13Å; G624-S741 WeakPolarHBondContact O-CB 3.3Å; G624-S741 PolarHBondContact O-OG 3.41Å; S741-E755 WeakPolarHBondContact O-CA 3.44Å; S741-V756 PolarHBondContact O-N 3.18Å
742Y91.8Very high73Confident1 Ų156.6 Ų56.60%0.00431%0.312CS..EExtended strand (participates in β ladder)trans-133.9144.5-179.6-55.1-85.9000111.4L622 P625 I627 I753 L754 L763 I835L622-Y742 PolarHBondContact N-O 2.99Å; L622-Y742 PolarHBondContact O-N 3.29Å; P625-Y742 WeakPolarHBondContact O-CE2 3.45Å; P625-Y742 PolarHBondContact O-OH 3.36Å; I627-Y742 HydrophobicContact CD1-CE1 4.13Å; I627-Y742 WeakPolarHBondContact CG1-OH 3.39Å; Y742-I753 HydrophobicContact CD1-CG2 4.46Å; Y742-L754 CarbonylContact C-O 3.34Å; Y742-L754 WeakPolarHBondContact CA-O 3.42Å; Y742-L763 HydrophobicContact CD1-CD2 4.24Å; Y742-L763 HydrophobicContact CE1-CD2 3.98Å; Y742-I835 HydrophobicContact CD2-CD1 4.11Å
743L92.3Very high76.2Confident3 Ų352.1 Ų52.12%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-125.5125.2172.2-154.378.1000109L619 W620 L745 I753 L754 V756 L1288 V1298 M1306L619-L743 HydrophobicContact CD1-CD1 4.32Å; W620-L743 CarbonylContact O-C 3.54Å; W620-L743 WeakPolarHBondContact O-CA 3.37Å; W620-L743 WeakPolarHBondContact O-CD1 3.45Å; L743-L745 HydrophobicContact CD2-CD2 3.9Å; L743-L745 HydrophobicContact CD2-CG 4.47Å; L743-L745 HydrophobicContact CG-CD2 4.27Å; L743-I753 WeakPolarHBondContact O-CA 3.47Å; L743-L754 HydrophobicContact CB-CB 4.25Å; L743-L754 PolarHBondContact N-O 3.28Å; L743-L754 PolarHBondContact O-N 2.72Å; L743-V756 HydrophobicContact CB-CG2 4.12Å; L743-L1288 HydrophobicContact CD1-CD1 4.47Å; L743-V1298 HydrophobicContact CD1-CG1 3.79Å; L743-V1298 HydrophobicContact CD2-CG1 4.32Å; L743-V1298 HydrophobicContact CD2-CG2 4.43Å; L743-M1306 HydrophobicContact CD2-SD 3.67Å
744L93.6Very high79.4Confident0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-102.1132.9173.8-91.863.8000109.2L619 W620 L622 T751 I753 F768 A777 Q837L619-L744 CarbonylContact C-O 3.58Å; L619-L744 VanDerWaalsContact CA-O 3.25Å; L619-L744 WeakPolarHBondContact CA-O 3.24Å; W620-L744 HydrophobicContact CE3-CB 4.08Å; W620-L744 PolarHBondContact N-O 2.92Å; W620-L744 PolarHBondContact O-N 3.26Å; L622-L744 HydrophobicContact CD1-CD1 3.86Å; L744-T751 HydrophobicContact CB-CG2 4.4Å; L744-T751 HydrophobicContact CD2-CG2 4.45Å; L744-T751 HydrophobicContact CG-CG2 4.24Å; L744-I753 HydrophobicContact CD1-CG1 3.98Å; L744-I753 HydrophobicContact CD1-CG2 4.08Å; L744-I753 HydrophobicContact CG-CG1 4.05Å; L744-F768 HydrophobicContact CD1-CD1 4.35Å; L744-F768 HydrophobicContact CD1-CE1 3.98Å; L744-F768 HydrophobicContact CD1-CZ 4.29Å; L744-F768 HydrophobicContact CD2-CD1 4.11Å; L744-F768 HydrophobicContact CD2-CE1 4.17Å; L744-A777 HydrophobicContact CD2-CB 3.86Å; L744-Q837 HydrophobicContact CD2-CG 4.19Å
745L92.8Very high82.4Confident0 Ų039.4 Ų39.40%022%0.217CC..EExtended strand (participates in β ladder)trans-126.9118.5-177.8-56.4177.4000109.1L613 Y616 L619 L743 T751 M752 L754 F1300 M1306L613-L745 HydrophobicContact CD1-CD1 3.94Å; Y616-L745 HydrophobicContact CD1-CB 3.62Å; Y616-L745 HydrophobicContact CE1-CB 3.86Å; Y616-L745 HydrophobicContact CG-CB 4.25Å; L619-L745 HydrophobicContact CB-CD2 3.5Å; L743-L745 HydrophobicContact CD2-CD2 3.9Å; L743-L745 HydrophobicContact CD2-CG 4.47Å; L743-L745 HydrophobicContact CG-CD2 4.27Å; L745-T751 CarbonylContact O-C 3.51Å; L745-T751 WeakPolarHBondContact O-CA 3.46Å; L745-M752 HydrophobicContact CB-CB 4.43Å; L745-M752 HydrophobicContact CD1-CE 3.56Å; L745-M752 PolarHBondContact N-O 2.9Å; L745-M752 PolarHBondContact O-N 3.08Å; L745-L754 HydrophobicContact CD1-CD1 3.62Å; L745-L754 HydrophobicContact CD1-CG 4.09Å; L745-F1300 HydrophobicContact CD2-CE2 3.77Å; L745-F1300 HydrophobicContact CD2-CZ 4.01Å; L745-M1306 HydrophobicContact CD1-SD 4.07Å; L745-M1306 HydrophobicContact CD2-SD 4.18Å
746T90.9Very high85.1Confident4 Ų434.9 Ų34.93%0.02519%0.185CC..EExtended strand (participates in β ladder)trans-112.4138.2-171.9-80.80000112.8Y616 M617 S618 W620 T751 M773 T774Y616-T746 CarbonylContact C-O 3.57Å; Y616-T746 WeakPolarHBondContact CA-O 3.34Å; M617-T746 PolarHBondContact N-O 2.99Å; S618-T746 PolarHBondContact N-O 3.06Å; S618-T746 PolarHBondContact O-N 3.44Å; W620-T746 HydrophobicContact CH2-CG2 4.44Å; W620-T746 WeakPolarHBondContact CZ3-OG1 3.09Å; T746-T751 PolarHBondContact OG1-OG1 3.04Å; T746-M773 HydrophobicContact CG2-CB 3.62Å; T746-T774 VanDerWaalsContact OG1-CB 3.27Å; T746-T774 WeakPolarHBondContact OG1-CB 3.49Å; T746-T774 PolarHBondContact OG1-N 2.82Å; T746-T774 VanDerWaalsContact OG1-N 3.14Å
747R89.1Confident86.8Confident60 Ų6034 Ų3423%0.22618%0.179CC..  trans-103.2-176168-60.7-170.1163.7154.3-7.1110P614 Y616 D749 S750 M773P614-R747 PolarHBondContact O-NE 2.77Å; P614-R747 PolarHBondContact O-NH2 2.91Å; Y616-R747 HydrophobicContact CD1-CG 3.57Å; Y616-R747 HydrophobicContact CE1-CG 3.65Å; Y616-R747 HydrophobicContact CG-CG 4.14Å; R747-D749 WeakPolarHBondContact CB-OD1 3.48Å; R747-D749 PolarHBondContact O-N 3.48Å; R747-S750 PolarHBondContact N-O 2.95Å; R747-M773 VanDerWaalsContact O-CB 3.31Å; R747-M773 WeakPolarHBondContact O-CB 3.46Å
748E83.7Confident87.9Confident145 Ų14535.8 Ų35.868%0.67818%0.183SC*.SBendtrans-69-23.5175.3-62.9-171.3166.300113.3M617 M773M617-E748 HydrophobicContact CE-CG 3.82Å; M617-E748 WeakPolarHBondContact CE-OE1 3.3Å; M617-E748 HydrophobicContact CG-CG 4.3Å; E748-M773 WeakPolarHBondContact O-CE 3.42Å
749D89.2Confident88.4Confident110 Ų11039.6 Ų39.659%0.58820%0.199SC*.SBendtrans-116.7-20-17465.1-12.4000114.9R747 T771 E772R747-D749 WeakPolarHBondContact CB-OD1 3.48Å; R747-D749 PolarHBondContact O-N 3.48Å; D749-T771 CarbonylContact O-C 3.52Å; D749-E772 CarbonylContact O-C 3.31Å; D749-E772 VanDerWaalsContact O-CA 3.3Å; D749-E772 WeakPolarHBondContact O-CA 3.41Å
750S91.7Very high88.5Confident27 Ų2738.7 Ų38.719%0.18919%0.192CC..  trans-150.2165.8-16355.20000113.1R747 T770 E772R747-S750 PolarHBondContact N-O 2.95Å; S750-T770 WeakPolarHBondContact CA-O 3.28Å; S750-T770 WeakPolarHBondContact CB-O 3.44Å; S750-E772 CarbonylContact C-O 3.49Å; S750-E772 VanDerWaalsContact C-O 3.27Å
751T92Very high88.6Confident6 Ų642 Ų424%0.03721%0.212CC..EExtended strand (participates in β ladder)trans-133.9131.8173.6-57.30000110.9L744 L745 T746 T770 E772 T774L744-T751 HydrophobicContact CB-CG2 4.4Å; L744-T751 HydrophobicContact CD2-CG2 4.45Å; L744-T751 HydrophobicContact CG-CG2 4.24Å; L745-T751 CarbonylContact O-C 3.51Å; L745-T751 WeakPolarHBondContact O-CA 3.46Å; T746-T751 PolarHBondContact OG1-OG1 3.04Å; T751-T770 PolarHBondContact N-O 3.04Å; T751-T770 VanDerWaalsContact O-CA 3.26Å; T751-T770 WeakPolarHBondContact O-CA 3.44Å; T751-T770 WeakPolarHBondContact O-CB 3.45Å; T751-T770 WeakPolarHBondContact O-CG2 3.27Å; T751-E772 PolarHBondContact N-O 3.02Å; T751-E772 PolarHBondContact OG1-O 3.24Å; T751-T774 WeakPolarHBondContact CG2-OG1 3.38Å; T751-T774 PolarHBondContact OG1-N 3.3Å; T751-T774 VanDerWaalsContact OG1-N 3.16Å; T751-T774 PolarHBondContact OG1-OG1 2.91Å
752M91.4Very high88.6Confident18 Ų1847.3 Ų47.39%0.08924%0.237CC..EExtended strand (participates in β ladder)trans-101.6144.2171.4-175.8169.273.800109.8L613 Y616 L745 L754 E762L613-M752 HydrophobicContact CD1-CE 4.15Å; L613-M752 HydrophobicContact CD2-CE 4.17Å; Y616-M752 HydrophobicContact CE1-CB 3.9Å; Y616-M752 HydrophobicContact CE1-CE 4.28Å; Y616-M752 HydrophobicContact CE2-CE 4.05Å; Y616-M752 WeakPolarHBondContact OH-CE 3.38Å; Y616-M752 PolarHBondContact OH-SD 3.2Å; L745-M752 HydrophobicContact CB-CB 4.43Å; L745-M752 HydrophobicContact CD1-CE 3.56Å; L745-M752 PolarHBondContact N-O 2.9Å; L745-M752 PolarHBondContact O-N 3.08Å; M752-L754 HydrophobicContact CE-CD2 4.08Å; M752-L754 HydrophobicContact CE-CG 4.48Å; M752-L754 HydrophobicContact CG-CD2 4.32Å; M752-L754 HydrophobicContact SD-CD2 4.38Å; M752-E762 HydrophobicContact CG-CG 3.99Å; M752-E762 HydrophobicContact SD-CG 4.22Å
753I92.4Very high88.4Confident3 Ų348.5 Ų48.52%0.01524%0.243CC..EExtended strand (participates in β ladder)trans-118.2127.2177.1-58.992.5000108Y742 L743 L744 L763 F768 T770Y742-I753 HydrophobicContact CD1-CG2 4.46Å; L743-I753 WeakPolarHBondContact O-CA 3.47Å; L744-I753 HydrophobicContact CD1-CG1 3.98Å; L744-I753 HydrophobicContact CD1-CG2 4.08Å; L744-I753 HydrophobicContact CG-CG1 4.05Å; I753-L763 HydrophobicContact CB-CB 4.32Å; I753-L763 HydrophobicContact CG2-CB 4.09Å; I753-L763 HydrophobicContact CG2-CD2 4.02Å; I753-L763 PolarHBondContact O-N 2.86Å; I753-F768 HydrophobicContact CD1-CB 3.58Å; I753-F768 HydrophobicContact CD1-CD2 4.46Å; I753-F768 HydrophobicContact CD1-CG 4.15Å; I753-F768 HydrophobicContact CG1-CB 3.91Å; I753-F768 HydrophobicContact CG1-CD1 4.48Å; I753-F768 HydrophobicContact CG1-CD2 4Å; I753-F768 HydrophobicContact CG1-CG 3.9Å; I753-F768 HydrophobicContact CG2-CD2 4.24Å; I753-F768 HydrophobicContact CG2-CE2 4.26Å; I753-T770 HydrophobicContact CD1-CG2 3.49Å; I753-T770 VanDerWaalsContact CD1-CG2 3.49Å
754L91.5Very high87.7Confident13 Ų1356.6 Ų56.67%0.06828%0.281CS..EExtended strand (participates in β ladder)trans-109.2134.8170.4-53.6179.4000109.2Y742 L743 L745 M752 I760 V761 E762 M1306Y742-L754 CarbonylContact C-O 3.34Å; Y742-L754 WeakPolarHBondContact CA-O 3.42Å; L743-L754 HydrophobicContact CB-CB 4.25Å; L743-L754 PolarHBondContact N-O 3.28Å; L743-L754 PolarHBondContact O-N 2.72Å; L745-L754 HydrophobicContact CD1-CD1 3.62Å; L745-L754 HydrophobicContact CD1-CG 4.09Å; M752-L754 HydrophobicContact CE-CD2 4.08Å; M752-L754 HydrophobicContact CE-CG 4.48Å; M752-L754 HydrophobicContact CG-CD2 4.32Å; M752-L754 HydrophobicContact SD-CD2 4.38Å; L754-I760 HydrophobicContact CB-CG2 3.89Å; L754-I760 HydrophobicContact CD1-CG2 3.74Å; L754-I760 HydrophobicContact CG-CG2 4.32Å; L754-V761 CarbonylContact C-O 3.55Å; L754-V761 VanDerWaalsContact CA-O 3.31Å; L754-V761 WeakPolarHBondContact CA-O 3.42Å; L754-E762 HydrophobicContact CD2-CB 3.98Å; L754-E762 HydrophobicContact CD2-CG 4.33Å; L754-M1306 HydrophobicContact CD1-CE 4.06Å; L754-M1306 HydrophobicContact CD1-SD 4.48Å
755E90Very high87Confident15 Ų1562.9 Ų62.97%0.0732%0.319CS..EExtended strand (participates in β ladder)trans-80.9139.2161-171.3180175.200109.2I627 S741 I760 V761I627-E755 WeakPolarHBondContact CB-OE2 3.49Å; I627-E755 PolarHBondContact N-OE1 2.92Å; S741-E755 WeakPolarHBondContact O-CA 3.44Å; E755-I760 WeakPolarHBondContact O-CA 3.5Å; E755-V761 PolarHBondContact N-O 2.9Å; E755-V761 PolarHBondContact O-N 3.2Å; E755-V761 VanDerWaalsContact O-N 3.09Å
756V86.7Confident86.6Confident5 Ų564.6 Ų64.63%0.0333%0.331CS..EExtended strand (participates in β ladder)trans-119.6107.7178.9-176.70000108.8S741 L743 I760 L1288 A1290S741-V756 PolarHBondContact O-N 3.18Å; L743-V756 HydrophobicContact CB-CG2 4.12Å; V756-I760 HydrophobicContact CG1-CG1 4.4Å; V756-L1288 HydrophobicContact CG1-CD1 4.45Å; V756-A1290 HydrophobicContact CG1-CB 3.75Å
757S79.1Confident86.3Confident41 Ų4165.2 Ų65.229%0.28734%0.338SS..SBendtrans-131.6-106.9-176.466.40000112.4E759S757-E759 PolarHBondContact N-O 3.26Å
758H77.1Confident86.3Confident166 Ų16662.6 Ų62.677%0.76933%0.328SS*.SBendtrans-92.1-23.9163.7-76-85.5000112K1291 I1292H758-K1291 PolarHBondContact NE2-NZ 2.98Å; H758-I1292 WeakPolarHBondContact O-CD1 3.36Å
759E80.4Confident86.6Confident147 Ų14755.9 Ų55.969%0.68730%0.297SS*.SBendtrans-126.5175.2167.8-65-175.5158.400108.7S757 V761S757-E759 PolarHBondContact N-O 3.26Å; E759-V761 HydrophobicContact CB-CG2 4.44Å
760I85.9Confident86.7Confident37 Ų3753.7 Ų53.719%0.1929%0.287CS..EExtended strand (participates in β ladder)trans-114.3120.4176.1-57.1178.9000107.6F611 L754 E755 V756 I1292 L1308F611-I760 HydrophobicContact CE2-CD1 4.11Å; F611-I760 HydrophobicContact CZ-CD1 4.11Å; L754-I760 HydrophobicContact CB-CG2 3.89Å; L754-I760 HydrophobicContact CD1-CG2 3.74Å; L754-I760 HydrophobicContact CG-CG2 4.32Å; E755-I760 WeakPolarHBondContact O-CA 3.5Å; V756-I760 HydrophobicContact CG1-CG1 4.4Å; I760-I1292 HydrophobicContact CD1-CD1 4.45Å; I760-I1292 HydrophobicContact CG1-CD1 3.93Å; I760-L1308 HydrophobicContact CD1-CD1 4.36Å; I760-L1308 HydrophobicContact CD1-CD2 3.75Å
761V89.5Confident86.6Confident78 Ų7857.6 Ų57.647%0.47331%0.31SS..EExtended strand (participates in β ladder)trans-133.2138.8-169.1-1740000110.1L754 E755 E759L754-V761 CarbonylContact C-O 3.55Å; L754-V761 VanDerWaalsContact CA-O 3.31Å; L754-V761 WeakPolarHBondContact CA-O 3.42Å; E755-V761 PolarHBondContact N-O 2.9Å; E755-V761 PolarHBondContact O-N 3.2Å; E755-V761 VanDerWaalsContact O-N 3.09Å; E759-V761 HydrophobicContact CB-CG2 4.44Å
762E89.1Confident86.5Confident115 Ų11559.8 Ų59.854%0.53732%0.32SS..EExtended strand (participates in β ladder)trans-72.5133.4175.9-171.3175.7177.100111.7M752 L754 E764M752-E762 HydrophobicContact CG-CG 3.99Å; M752-E762 HydrophobicContact SD-CG 4.22Å; L754-E762 HydrophobicContact CD2-CB 3.98Å; L754-E762 HydrophobicContact CD2-CG 4.33Å; E762-E764 PolarHBondContact O-N 2.96Å
763L87.1Confident86.5Confident26 Ų2662.2 Ų62.214%0.13633%0.332CS..  trans-101.372.4-172.6-168.470.9000111.7I627 Y742 I753 V765 P849I627-L763 HydrophobicContact CD1-CD1 3.65Å; I627-L763 HydrophobicContact CD1-CD2 4.17Å; Y742-L763 HydrophobicContact CD1-CD2 4.24Å; Y742-L763 HydrophobicContact CE1-CD2 3.98Å; I753-L763 HydrophobicContact CB-CB 4.32Å; I753-L763 HydrophobicContact CG2-CB 4.09Å; I753-L763 HydrophobicContact CG2-CD2 4.02Å; I753-L763 PolarHBondContact O-N 2.86Å; L763-V765 VanDerWaalsContact C-N 3.25Å; L763-V765 PolarHBondContact O-N 2.9Å; L763-P849 HydrophobicContact CD2-CB 4.14Å
764E79.2Confident86.5Confident173 Ų17362.3 Ų62.381%0.80833%0.333SS*.  trans-51.6-39.5-178.3-65.5-174172.200113.8E762E762-E764 PolarHBondContact O-N 2.96Å
765V77.7Confident86.4Confident131 Ų13162.4 Ų62.479%0.79433%0.334SS*.SBendtrans-109.793.1-172.6-175.40000110.2L763L763-V765 VanDerWaalsContact C-N 3.25Å; L763-V765 PolarHBondContact O-N 2.9Å
766S84.4Confident86.4Confident37 Ų3761.7 Ų61.726%0.25933%0.331SS..SBendtrans-148.2169.8177670000112.8F768S766-F768 VanDerWaalsContact C-N 3.32Å
767G85.2Confident86.7Confident16 Ų1661.8 Ų61.817%0.16533%0.332CS..SBendtrans-82.6-5.6176.400000114.7R844 P849G767-R844 PolarHBondContact O-NH1 3Å; G767-P849 PolarHBondContact N-O 2.83Å
768F89.9Confident87.4Confident6 Ų661.6 Ų61.63%0.02633%0.326CS..SBendtrans-62.1158.8177.6-71.2-82.6000111.3L622 L744 I753 S766 I835 Q837 R844 L846L622-F768 HydrophobicContact CD1-CE1 4.45Å; L744-F768 HydrophobicContact CD1-CD1 4.35Å; L744-F768 HydrophobicContact CD1-CE1 3.98Å; L744-F768 HydrophobicContact CD1-CZ 4.29Å; L744-F768 HydrophobicContact CD2-CD1 4.11Å; L744-F768 HydrophobicContact CD2-CE1 4.17Å; I753-F768 HydrophobicContact CD1-CB 3.58Å; I753-F768 HydrophobicContact CD1-CD2 4.46Å; I753-F768 HydrophobicContact CD1-CG 4.15Å; I753-F768 HydrophobicContact CG1-CB 3.91Å; I753-F768 HydrophobicContact CG1-CD1 4.48Å; I753-F768 HydrophobicContact CG1-CD2 4Å; I753-F768 HydrophobicContact CG1-CG 3.9Å; I753-F768 HydrophobicContact CG2-CD2 4.24Å; I753-F768 HydrophobicContact CG2-CE2 4.26Å; S766-F768 VanDerWaalsContact C-N 3.32Å; F768-I835 HydrophobicContact CE1-CG2 3.73Å; F768-I835 HydrophobicContact CZ-CD1 4.23Å; F768-I835 HydrophobicContact CZ-CG2 4.04Å; F768-Q837 HydrophobicContact CD1-CB 4.46Å; F768-R844 PolarHBondContact O-NH1 2.82Å; F768-L846 HydrophobicContact CD1-CD1 3.99Å; F768-L846 HydrophobicContact CD1-CD2 3.99Å; F768-L846 HydrophobicContact CD2-CD2 4.04Å; F768-L846 HydrophobicContact CE1-CD1 3.94Å; F768-L846 HydrophobicContact CE1-CD2 4.19Å; F768-L846 HydrophobicContact CE2-CD2 4.22Å; F768-L846 HydrophobicContact CG-CD2 3.91Å; F768-L846 HydrophobicContact CZ-CD2 4.3Å
769N89.9Confident88.1Confident3 Ų354.8 Ų54.82%0.01630%0.295CS..  trans-82.8113.5167.9-163.96.6000108.9T771 E772 Q837 S839N769-T771 PolarHBondContact OD1-N 3.41Å; N769-T771 PolarHBondContact OD1-OG1 3.01Å; N769-E772 PolarHBondContact ND2-OE2 3.11Å; N769-Q837 PolarHBondContact O-NE2 2.87Å; N769-S839 VanDerWaalsContact ND2-CB 3.34Å; N769-S839 WeakPolarHBondContact ND2-CB 3.48Å; N769-S839 PolarHBondContact ND2-OG 2.88Å
770T90.5Very high88.5Confident64 Ų6447.9 Ų47.939%0.39326%0.263SS..  trans-99.1-21.617349.90000112.5S750 T751 I753 E772S750-T770 WeakPolarHBondContact CA-O 3.28Å; S750-T770 WeakPolarHBondContact CB-O 3.44Å; T751-T770 PolarHBondContact N-O 3.04Å; T751-T770 VanDerWaalsContact O-CA 3.26Å; T751-T770 WeakPolarHBondContact O-CA 3.44Å; T751-T770 WeakPolarHBondContact O-CB 3.45Å; T751-T770 WeakPolarHBondContact O-CG2 3.27Å; I753-T770 HydrophobicContact CD1-CG2 3.49Å; I753-T770 VanDerWaalsContact CD1-CG2 3.49Å; T770-E772 PolarHBondContact O-N 3.42Å
771T89.9Confident88.3Confident109 Ų10946.1 Ų46.167%0.66925%0.254SS*.SBendtrans-88.43.1-170.949.10000114.9D749 N769D749-T771 CarbonylContact O-C 3.52Å; N769-T771 PolarHBondContact OD1-N 3.41Å; N769-T771 PolarHBondContact OD1-OG1 3.01Å
772E89.4Confident87.9Confident53 Ų5345.1 Ų45.125%0.24824%0.244CC..SBendtrans-138.6164171.8-59.1-175.916100109.5D749 S750 T751 N769 T770 S839 T841D749-E772 CarbonylContact O-C 3.31Å; D749-E772 VanDerWaalsContact O-CA 3.3Å; D749-E772 WeakPolarHBondContact O-CA 3.41Å; S750-E772 CarbonylContact C-O 3.49Å; S750-E772 VanDerWaalsContact C-O 3.27Å; T751-E772 PolarHBondContact N-O 3.02Å; T751-E772 PolarHBondContact OG1-O 3.24Å; N769-E772 PolarHBondContact ND2-OE2 3.11Å; T770-E772 PolarHBondContact O-N 3.42Å; E772-S839 VanDerWaalsContact OE2-CB 3.24Å; E772-S839 WeakPolarHBondContact OE2-CB 3.48Å; E772-T841 VanDerWaalsContact CD-OG1 3.3Å; E772-T841 WeakPolarHBondContact OE1-CG2 3.46Å; E772-T841 PolarHBondContact OE1-OG1 2.86Å; E772-T841 PolarHBondContact OE2-OG1 2.97Å
773M90.8Very high87Confident69 Ų6942.6 Ų42.634%0.3423%0.232SC..  trans-60.1154.3164.465158.662.300111.5T746 R747 E748 P840T746-M773 HydrophobicContact CG2-CB 3.62Å; R747-M773 VanDerWaalsContact O-CB 3.31Å; R747-M773 WeakPolarHBondContact O-CB 3.46Å; E748-M773 WeakPolarHBondContact O-CE 3.42Å; M773-P840 HydrophobicContact CG-CG 3.41Å; M773-P840 VanDerWaalsContact CG-CG 3.41Å; M773-P840 WeakPolarHBondContact O-CD 3.5Å; M773-P840 HydrophobicContact SD-CG 3.89Å
774T92.4Very high86.3Confident4 Ų442.8 Ų42.83%0.02523%0.231CC..  trans-98.8128.6167.2-59.20000108.7W620 T746 T751 G776 A777 Q837 V838W620-T774 HydrophobicContact CH2-CG2 4.2Å; W620-T774 WeakPolarHBondContact CH2-O 3.18Å; W620-T774 HydrophobicContact CZ3-CG2 4.24Å; T746-T774 VanDerWaalsContact OG1-CB 3.27Å; T746-T774 WeakPolarHBondContact OG1-CB 3.49Å; T746-T774 PolarHBondContact OG1-N 2.82Å; T746-T774 VanDerWaalsContact OG1-N 3.14Å; T751-T774 WeakPolarHBondContact CG2-OG1 3.38Å; T751-T774 PolarHBondContact OG1-N 3.3Å; T751-T774 VanDerWaalsContact OG1-N 3.16Å; T751-T774 PolarHBondContact OG1-OG1 2.91Å; T774-G776 WeakPolarHBondContact CG2-O 3.38Å; T774-A777 HydrophobicContact CG2-CB 4.28Å; T774-Q837 HydrophobicContact CG2-CG 3.77Å; T774-Q837 PolarHBondContact OG1-NE2 2.9Å; T774-V838 CarbonylContact C-O 3.48Å
775V90.1Very high86Confident15 Ų1535 Ų359%0.09120%0.195CC..SBendtrans-79.5-40174.5-176.50000109.9V838 P840 I863 A866V775-V838 HydrophobicContact CB-CB 4.49Å; V775-V838 HydrophobicContact CB-CG1 4.12Å; V775-V838 PolarHBondContact N-O 2.96Å; V775-P840 HydrophobicContact CG2-CG 4.01Å; V775-I863 WeakPolarHBondContact CG2-O 3.42Å; V775-A866 HydrophobicContact CG1-CB 4.37Å
776G90.8Very high85.5Confident1 Ų135.5 Ų35.51%0.0119%0.189CC..EExtended strand (participates in β ladder)trans-161.8148173.700000112.1T774 V838T774-G776 WeakPolarHBondContact CG2-O 3.38Å; G776-V838 PolarHBondContact N-O 2.97Å; G776-V838 WeakPolarHBondContact O-CB 3.18Å; G776-V838 PolarHBondContact O-N 2.95Å
777A93Very high84.6Confident6 Ų638.7 Ų38.75%0.0520%0.199CC..EExtended strand (participates in β ladder)trans-124.1135.7170.800000109.4W620 L622 L744 T774 L836W620-A777 HydrophobicContact CB-CB 4.11Å; W620-A777 HydrophobicContact CD2-CB 4.33Å; W620-A777 HydrophobicContact CG-CB 4.03Å; L622-A777 HydrophobicContact CD1-CB 4.27Å; L622-A777 HydrophobicContact CD2-CB 4.24Å; L744-A777 HydrophobicContact CD2-CB 3.86Å; T774-A777 HydrophobicContact CG2-CB 4.28Å; A777-L836 WeakPolarHBondContact CA-O 3.5Å
778F92.2Very high83.7Confident38 Ų3840.4 Ų40.417%0.16721%0.207CC..EExtended strand (participates in β ladder)trans-140.4150.2-170.9-51.6-69.7000111.3L836 V838 A866 C868 I873F778-L836 PolarHBondContact N-O 2.89Å; F778-L836 PolarHBondContact O-N 2.94Å; F778-V838 HydrophobicContact CD2-CG2 4.26Å; F778-V838 HydrophobicContact CE2-CG2 3.97Å; F778-A866 HydrophobicContact CE2-CB 4Å; F778-A866 HydrophobicContact CZ-CB 4.09Å; F778-C868 HydrophobicContact CB-CB 4.14Å; F778-C868 HydrophobicContact CD1-CB 3.39Å; F778-C868 HydrophobicContact CD2-CB 4.04Å; F778-C868 HydrophobicContact CE1-CB 3.69Å; F778-C868 HydrophobicContact CE2-CB 4.3Å; F778-C868 HydrophobicContact CG-CB 3.59Å; F778-C868 HydrophobicContact CZ-CB 4.13Å; F778-I873 HydrophobicContact CB-CD1 4.46Å; F778-I873 HydrophobicContact CD2-CD1 3.9Å; F778-I873 HydrophobicContact CG-CD1 4.47Å
779N91.9Very high82.4Confident22 Ų2245.6 Ų45.612%0.11823%0.226CC..EExtended strand (participates in β ladder)trans-96.1143.4166-78.6119000110.6L622 Y623 F782 P833 Y834 I835L622-N779 WeakPolarHBondContact CA-OD1 3.41Å; Y623-N779 WeakPolarHBondContact CD2-OD1 3.44Å; Y623-N779 PolarHBondContact N-OD1 3.4Å; Y623-N779 PolarHBondContact O-ND2 2.85Å; N779-F782 HydrophobicContact CB-CE2 3.94Å; N779-P833 HydrophobicContact CB-CB 4Å; N779-P833 HydrophobicContact CB-CG 3.78Å; N779-P833 WeakPolarHBondContact ND2-CG 3.2Å; N779-Y834 CarbonylContact C-O 3.6Å; N779-Y834 VanDerWaalsContact CA-O 3.28Å; N779-Y834 WeakPolarHBondContact CA-O 3.38Å; N779-Y834 PolarHBondContact ND2-O 2.83Å; N779-I835 WeakPolarHBondContact ND2-CG1 3.5Å
780L89.8Confident80.8Confident2 Ų253.6 Ų53.61%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-135.9150.1-177.4-63.4172.4000112.3P833 Y834 L836 L845 D870 I873 L887L780-P833 CarbonylContact O-C 3.57Å; L780-P833 WeakPolarHBondContact O-CA 3.43Å; L780-P833 WeakPolarHBondContact O-CB 3.25Å; L780-Y834 PolarHBondContact N-O 2.68Å; L780-Y834 PolarHBondContact O-N 3.34Å; L780-L836 HydrophobicContact CD1-CB 3.96Å; L780-L845 HydrophobicContact CD1-CD1 4.47Å; L780-D870 VanDerWaalsContact CA-OD1 3.29Å; L780-D870 WeakPolarHBondContact CA-OD1 3.38Å; L780-D870 HydrophobicContact CD2-CB 4.14Å; L780-D870 WeakPolarHBondContact CD2-OD1 3.46Å; L780-I873 HydrophobicContact CD1-CD1 3.92Å; L780-I873 HydrophobicContact CD2-CD1 4.06Å; L780-I873 HydrophobicContact CD2-CG1 4.38Å; L780-I873 HydrophobicContact CG-CD1 4.39Å; L780-L887 HydrophobicContact CB-CD2 3.78Å; L780-L887 HydrophobicContact CD1-CB 4.47Å
781G82.4Confident79.2Confident1 Ų156.4 Ų56.41%0.0127%0.265CS..  trans92.616.7178.500000115.2Y784 I785 D870G781-Y784 PolarHBondContact O-N 3.01Å; G781-I785 WeakPolarHBondContact O-CD1 3.29Å; G781-I785 VanDerWaalsContact O-CG1 3.32Å; G781-I785 WeakPolarHBondContact O-CG1 3.39Å; G781-I785 PolarHBondContact O-N 2.87Å; G781-D870 PolarHBondContact N-OD1 2.69Å; G781-D870 PolarHBondContact N-OD2 2.76Å
782F80.1Confident77.7Confident56 Ų5654.7 Ų54.725%0.24625%0.254CS..Hα-helixtrans-64.3-40176-88.4-63.5000112.4Y623 L738 N779 Y784 I785 Q786 P833 D870Y623-F782 HydrophobicContact CD2-CE2 4.07Å; Y623-F782 AromaticContact CD2-CZ 3.68Å; Y623-F782 HydrophobicContact CD2-CZ 3.68Å; Y623-F782 HydrophobicContact CE2-CE2 4.47Å; Y623-F782 HydrophobicContact CE2-CZ 4.12Å; Y623-F782 HydrophobicContact CG-CZ 4.1Å; L738-F782 HydrophobicContact CD1-CE1 3.73Å; L738-F782 HydrophobicContact CD1-CZ 4.34Å; L738-F782 HydrophobicContact CD2-CE1 4.14Å; N779-F782 HydrophobicContact CB-CE2 3.94Å; F782-Y784 VanDerWaalsContact C-N 3.34Å; F782-Y784 PolarHBondContact O-N 3.26Å; F782-I785 PolarHBondContact O-N 2.98Å; F782-Q786 PolarHBondContact O-N 2.9Å; F782-Q786 VanDerWaalsContact O-N 3.11Å; F782-P833 HydrophobicContact CD2-CB 4.21Å; F782-P833 HydrophobicContact CD2-CG 4.34Å; F782-P833 HydrophobicContact CE1-CG 4.03Å; F782-P833 HydrophobicContact CE2-CB 4.14Å; F782-P833 HydrophobicContact CE2-CG 3.79Å; F782-P833 HydrophobicContact CG-CB 4.46Å; F782-P833 HydrophobicContact CZ-CB 4.31Å; F782-P833 HydrophobicContact CZ-CG 3.62Å; F782-D870 PolarHBondContact N-OD2 3.33Å
783E70.3Confident75.9Confident63 Ų6356.8 Ų56.829%0.29427%0.267SS..Hα-helixtrans-60.1-44.8172.5-77.3-146.8131.300111.5I785 Q786 Q787 H948 Y1085E783-I785 VanDerWaalsContact C-N 3.34Å; E783-I785 PolarHBondContact O-N 2.82Å; E783-Q786 PolarHBondContact O-N 3.02Å; E783-Q786 VanDerWaalsContact O-N 3.16Å; E783-Q787 WeakPolarHBondContact O-CG 3.48Å; E783-Q787 PolarHBondContact O-N 3.43Å; E783-H948 IonicContact OE1-CE1 3.17Å; E783-H948 PolarHBondContact OE1-CE1 2.74Å; E783-H948 IonicContact OE1-NE2 3.83Å; E783-Y1085 VanDerWaalsContact CD-OH 3.22Å; E783-Y1085 PolarHBondContact OE2-OH 2.99Å; E783-Y1085 VanDerWaalsContact OE2-OH 3.05Å
784Y72Confident73.9Confident29 Ų2959.2 Ų59.211%0.11428%0.276CS..Hα-helixtrans-64.4-38.6-179.3-56.5-34.9000111.8G781 F782 Q786 Q787 V788 P871 L887G781-Y784 PolarHBondContact O-N 3.01Å; F782-Y784 VanDerWaalsContact C-N 3.34Å; F782-Y784 PolarHBondContact O-N 3.26Å; Y784-Q786 PolarHBondContact O-N 3.15Å; Y784-Q787 PolarHBondContact O-N 3.39Å; Y784-V788 WeakPolarHBondContact O-CB 3.33Å; Y784-V788 VanDerWaalsContact O-CG2 3.31Å; Y784-V788 WeakPolarHBondContact O-CG2 3.48Å; Y784-V788 PolarHBondContact O-N 2.85Å; Y784-P871 HydrophobicContact CE2-CB 4.24Å; Y784-L887 HydrophobicContact CD2-CD2 4.37Å; Y784-L887 HydrophobicContact CE2-CD2 4.19Å; Y784-L887 HydrophobicContact CE2-CG 4.3Å; Y784-L887 PolarHBondContact OH-O 2.62Å
785I73.3Confident71.6Confident10 Ų1064.9 Ų64.95%0.05131%0.306CS..Hα-helixtrans-59.9-44.5172.4-72.5162.2000111.3G781 F782 E783 R789 G829 V830 Y832 P833G781-I785 WeakPolarHBondContact O-CD1 3.29Å; G781-I785 VanDerWaalsContact O-CG1 3.32Å; G781-I785 WeakPolarHBondContact O-CG1 3.39Å; G781-I785 PolarHBondContact O-N 2.87Å; F782-I785 PolarHBondContact O-N 2.98Å; E783-I785 VanDerWaalsContact C-N 3.34Å; E783-I785 PolarHBondContact O-N 2.82Å; I785-R789 WeakPolarHBondContact O-CB 3.42Å; I785-R789 VanDerWaalsContact O-CG 3.28Å; I785-R789 WeakPolarHBondContact O-CG 3.19Å; I785-R789 PolarHBondContact O-N 3.01Å; I785-R789 VanDerWaalsContact O-N 3.09Å; I785-G829 VanDerWaalsContact CG1-C 3.41Å; I785-G829 WeakPolarHBondContact CG1-O 3.33Å; I785-V830 WeakPolarHBondContact CG2-O 3.31Å; I785-Y832 VanDerWaalsContact CD1-C 3.42Å; I785-P833 HydrophobicContact CD1-CB 4.25Å
786Q66.3Low69.6Low142 Ų14269 Ų6966%0.66433%0.327SS*.Hα-helixtrans-67.4-41.9178.5-70.3-172.95.200112.1F782 E783 Y784 R789 W790F782-Q786 PolarHBondContact O-N 2.9Å; F782-Q786 VanDerWaalsContact O-N 3.11Å; E783-Q786 PolarHBondContact O-N 3.02Å; E783-Q786 VanDerWaalsContact O-N 3.16Å; Y784-Q786 PolarHBondContact O-N 3.15Å; Q786-R789 PolarHBondContact O-N 2.98Å; Q786-W790 WeakPolarHBondContact O-CB 3.38Å; Q786-W790 PolarHBondContact O-N 3.24Å
787Q66.4Low67.2Low103 Ų10375.2 Ų75.248%0.48136%0.36SS..Hα-helixtrans-60.3-50.4175.9-73.4174.1-7.900111.7E783 Y784 R789 W790 E791E783-Q787 WeakPolarHBondContact O-CG 3.48Å; E783-Q787 PolarHBondContact O-N 3.43Å; Y784-Q787 PolarHBondContact O-N 3.39Å; Q787-R789 VanDerWaalsContact C-N 3.33Å; Q787-R789 PolarHBondContact O-N 3.38Å; Q787-W790 PolarHBondContact O-N 3.12Å; Q787-W790 VanDerWaalsContact O-N 3.17Å; Q787-E791 WeakPolarHBondContact O-CG 3.39Å; Q787-E791 PolarHBondContact O-N 2.9Å
788V65.8Low64.5Low52 Ų5281.5 Ų81.532%0.31539%0.393SS..Hα-helixtrans-60.8-40.5178.9171.10000111.6Y784 T792Y784-V788 WeakPolarHBondContact O-CB 3.33Å; Y784-V788 VanDerWaalsContact O-CG2 3.31Å; Y784-V788 WeakPolarHBondContact O-CG2 3.48Å; Y784-V788 PolarHBondContact O-N 2.85Å; V788-T792 WeakPolarHBondContact O-CB 3.46Å; V788-T792 PolarHBondContact O-N 2.85Å; V788-T792 PolarHBondContact O-OG1 3.26Å
789R63.6Low61.6Low116 Ų11684.3 Ų84.344%0.43842%0.417SS..Hα-helixtrans-65.6-41.4175.5-72.5177.7-172.1-165.56.1112.2I785 Q786 Q787 T792 N793 V830 D831I785-R789 WeakPolarHBondContact O-CB 3.42Å; I785-R789 VanDerWaalsContact O-CG 3.28Å; I785-R789 WeakPolarHBondContact O-CG 3.19Å; I785-R789 PolarHBondContact O-N 3.01Å; I785-R789 VanDerWaalsContact O-N 3.09Å; Q786-R789 PolarHBondContact O-N 2.98Å; Q787-R789 VanDerWaalsContact C-N 3.33Å; Q787-R789 PolarHBondContact O-N 3.38Å; R789-T792 PolarHBondContact O-N 2.88Å; R789-N793 PolarHBondContact O-N 2.96Å; R789-V830 PolarHBondContact NE-O 3.03Å; R789-V830 PolarHBondContact NH2-O 2.87Å; R789-D831 PolarHBondContact NH2-O 2.77Å
790W54.9Low58.7Low170 Ų17090.3 Ų90.364%0.64445%0.45SS*.Hα-helixtrans-64.1-44177.4-178.8-104.6000112.5Q786 Q787 N793 K794Q786-W790 WeakPolarHBondContact O-CB 3.38Å; Q786-W790 PolarHBondContact O-N 3.24Å; Q787-W790 PolarHBondContact O-N 3.12Å; Q787-W790 VanDerWaalsContact O-N 3.17Å; W790-N793 PolarHBondContact O-N 3.17Å; W790-K794 PolarHBondContact O-N 3.08Å
791E58.1Low55.6Low124 Ų12498 Ų9858%0.57949%0.491SS*.Hα-helixtrans-65.6-38.8175.2-70-175.1165.100112.3Q787 K794 N795Q787-E791 WeakPolarHBondContact O-CG 3.39Å; Q787-E791 PolarHBondContact O-N 2.9Å; E791-K794 PolarHBondContact O-N 2.82Å; E791-N795 PolarHBondContact O-N 2.85Å; E791-N795 PolarHBondContact O-ND2 3.19Å; E791-N795 VanDerWaalsContact O-ND2 3.17Å
792T57.5Low53.1Low72 Ų72105.4 Ų105.444%0.44253%0.529SS..Hα-helixtrans-61.1-45.7175-56.20000111.1V788 R789 N795 N796V788-T792 WeakPolarHBondContact O-CB 3.46Å; V788-T792 PolarHBondContact O-N 2.85Å; V788-T792 PolarHBondContact O-OG1 3.26Å; R789-T792 PolarHBondContact O-N 2.88Å; T792-N795 PolarHBondContact O-N 2.86Å; T792-N796 PolarHBondContact O-N 2.81Å
793N51.7Low50.6Low97 Ų97108.4 Ų108.452%0.51955%0.553SS.*Hα-helixtrans-66.3-40.5176.9-74-2.9000112.4R789 W790 N795 N796 N797R789-N793 PolarHBondContact O-N 2.96Å; W790-N793 PolarHBondContact O-N 3.17Å; N793-N795 VanDerWaalsContact C-N 3.25Å; N793-N795 PolarHBondContact O-N 2.92Å; N793-N796 PolarHBondContact O-N 3.32Å; N793-N797 PolarHBondContact O-N 3.49Å; N793-N797 PolarHBondContact O-OD1 2.93Å
794K49.1Very low48.4Very low121 Ų121113 Ų11353%0.52658%0.58SS.*Hα-helixtrans-59.9-33174.4-95-169.8173-1730113.4W790 E791 N798W790-K794 PolarHBondContact O-N 3.08Å; E791-K794 PolarHBondContact O-N 2.82Å; K794-N798 PolarHBondContact O-ND2 3.05Å
795N45.2Very low46.1Very low122 Ų122120.2 Ų120.265%0.65262%0.615SS**Hα-helixtrans-76.8-31.3178.7-74.3-36.7000112.9E791 T792 N793E791-N795 PolarHBondContact O-N 2.85Å; E791-N795 PolarHBondContact O-ND2 3.19Å; E791-N795 VanDerWaalsContact O-ND2 3.17Å; T792-N795 PolarHBondContact O-N 2.86Å; N793-N795 VanDerWaalsContact C-N 3.25Å; N793-N795 PolarHBondContact O-N 2.92Å
796N46.5Very low43.8Very low102 Ų102126.9 Ų126.955%0.54565%0.65SS.*Hα-helixtrans-68.9-41174.1-72.9-17.1000112.2T792 N793 N798 S799T792-N796 PolarHBondContact O-N 2.81Å; N793-N796 PolarHBondContact O-N 3.32Å; N796-N798 PolarHBondContact O-N 3.17Å; N796-S799 PolarHBondContact O-OG 2.99Å
797N42.3Very low41.8Very low131 Ų131126.7 Ų126.770%0.70166%0.659SS**THydrogen-bonded Turntrans-74.47.9-177.7-67.519.4000114.6N793N793-N797 PolarHBondContact O-N 3.49Å; N793-N797 PolarHBondContact O-OD1 2.93Å
798N35.4Very low39.7Very low139 Ų139127.6 Ų127.674%0.74367%0.671SS**THydrogen-bonded Turntrans-106.219.6177.1-87.8-62.4000113K794 N796K794-N798 PolarHBondContact O-ND2 3.05Å; N796-N798 PolarHBondContact O-N 3.17Å
799S31.9Very low37.8Very low96 Ų96131.7 Ų131.767%0.67169%0.69SS**  trans-118.716.7-174.664.20000116N796N796-S799 PolarHBondContact O-OG 2.99Å
800D29.6Very low35.9Very low149 Ų149131.2 Ų131.280%0.79771%0.71SS**  trans-93.4115.6173.3-75.8-52.6000112.5
801N25.9Very low34.3Very low163 Ų163129.4 Ų129.487%0.87272%0.719SS**  trans-155.547.4176-137.2-27000112.9
802I28.6Very low32.7Very low157 Ų157129.2 Ų129.281%0.80573%0.726SS**SBendtrans-140.1132.5165.3-82.9138.7000106.9
803P28.2Very low31.1Very low118 Ų118135.4 Ų135.477%0.76675%0.747SS**  trans-81.9162.2178.434-35.7000113
804D24.4Very low29.7Very low159 Ų159139.4 Ų139.485%0.8577%0.767SS**  trans-53.9139.5-168.4-54.6-83.5000116.8
805Q24.2Very low28.5Very low182 Ų182139.2 Ų139.285%0.8578%0.776SS**  trans-157.6146.7144.9-118.3166.854.100111.8
806L25.4Very low27.5Very low150 Ų150142.5 Ų142.579%0.78579%0.788SS**  trans7183.8170.5-67.3155000117.9
807T23.3Very low26.4Very low138 Ų138145.7 Ų145.785%0.84780%0.799SS**  trans-64119.6133.837.40000109.7
808T23.4Very low25.4Very low122 Ų122147.3 Ų147.375%0.74881%0.808SS**  trans178.2155.8148.6-63.50000108.2
809I24.5Very low25Very low138 Ų138149.4 Ų149.471%0.70881%0.813SS**  trans71.993.7176.8-40-175.8000115.6
810A23.3Very low24.7Very low105 Ų105153 Ų15387%0.86882%0.823SS**  trans-132.730.1164.400000112.7
811T22.4Very low24.7Very low133 Ų133153.5 Ų153.582%0.81682%0.818SS**SBendtrans-124.224.3-170.541.80000115.5
812T23.4Very low24.9Very low120 Ų120150.4 Ų150.474%0.73681%0.81SS**  trans-151.5102.4164.239.60000112.9
813K24.7Very low25.6Very low202 Ų202147.6 Ų147.688%0.87880%0.802SS**  trans-169.766.8149.6-111.7169.6-175.4179.50112.3
814L22.9Very low26.6Very low181 Ų181149 Ų14995%0.94880%0.795SS**  trans-112.144.5171.9-112.1172.1000111.5
815T22.7Very low28.1Very low117 Ų117149.9 Ų149.972%0.71880%0.795SS**SBendtrans-145.8149.4176.1430000109.4
816E23.8Very low30.1Very low191 Ų191147 Ų14789%0.89378%0.777SS**  trans66.566.4174.7-55.6-172.6161.100116.5
817Q23.4Very low32.4Very low168 Ų168143.6 Ų143.679%0.78576%0.762SS**  trans-11793.9137.4-77.9-163.637.300109.3
818N22.5Very low34.8Very low166 Ų166137.8 Ų137.889%0.88873%0.727SS**  trans-139.737.3168.2-134.6-2.5000110.5
819E25.6Very low37.1Very low182 Ų182132.2 Ų132.285%0.8569%0.694SS**  trans-87.5135.4167-71-163133.300110.2K821E819-K821 VanDerWaalsContact C-N 3.31Å; E819-K821 PolarHBondContact O-N 2.93Å
820I27.5Very low39.4Very low172 Ų172128.4 Ų128.488%0.88268%0.676SS**  trans-72.490173.5-58.6171.1000107.5S822I820-S822 PolarHBondContact O-N 2.88Å; I820-S822 VanDerWaalsContact O-N 3.08Å
821K27.8Very low41.7Very low159 Ų159125.5 Ų125.569%0.69165%0.646SS**  trans-57.7115.1168.8-75.8175.3-179.3161.10108.1E819E819-K821 VanDerWaalsContact C-N 3.31Å; E819-K821 PolarHBondContact O-N 2.93Å
822S30.7Very low44.6Very low99 Ų99120.1 Ų120.169%0.69261%0.611SS**  trans-50.7144.2163.549.50000109.3I820 K824I820-S822 PolarHBondContact O-N 2.88Å; I820-S822 VanDerWaalsContact O-N 3.08Å; S822-K824 PolarHBondContact O-N 3.09Å
823P42.7Very low47.6Very low98 Ų98114.4 Ų114.464%0.63658%0.576SS**  trans-54.7132.7177.524.7-34000109.2E825P823-E825 PolarHBondContact O-N 2.85Å; P823-E825 VanDerWaalsContact O-N 3.11Å
824K50.5Low50.7Low146 Ų146105 Ų10564%0.63554%0.535SS*.  trans-67.7110.6175.7-147.1-170.5-178.3-151.30106.5S822 Y826S822-K824 PolarHBondContact O-N 3.09Å; K824-Y826 VanDerWaalsContact O-CD2 3.3Å; K824-Y826 WeakPolarHBondContact O-CD2 3.42Å; K824-Y826 PolarHBondContact O-N 3.05Å
825E56.2Low54.1Low179 Ų17996.4 Ų96.484%0.83649%0.49SS*.  trans-67.2101173.9-71.6-170.4139.600108.2P823P823-E825 PolarHBondContact O-N 2.85Å; P823-E825 VanDerWaalsContact O-N 3.11Å
826Y66.2Low57.5Low120 Ų12090.9 Ų90.947%0.47146%0.456SS..  trans-70.8133.4178-64.2-84000110.2K824 D831 Y832K824-Y826 VanDerWaalsContact O-CD2 3.3Å; K824-Y826 WeakPolarHBondContact O-CD2 3.42Å; K824-Y826 PolarHBondContact O-N 3.05Å; Y826-D831 WeakPolarHBondContact CA-OD2 3.24Å; Y826-D831 HydrophobicContact CD1-CB 3.89Å; Y826-Y832 WeakPolarHBondContact O-CE1 3.21Å; Y826-Y832 PolarHBondContact O-OH 3.22Å
827V72.8Confident60.8Low79 Ų7981.8 Ų81.848%0.47941%0.413SS..  trans-110.1126.5-176-177.70000111.6V830 D831V827-V830 HydrophobicContact CB-CB 4.37Å; V827-V830 HydrophobicContact CG1-CG2 4.24Å; V827-V830 PolarHBondContact O-N 2.99Å; V827-V830 VanDerWaalsContact O-N 3.12Å; V827-D831 PolarHBondContact N-OD2 2.82Å; V827-D831 PolarHBondContact O-N 3.49Å
828V73.5Confident64.2Low17 Ų1773.8 Ų73.810%0.10338%0.376CS..BIsolated β-bridgetrans-62.4136.6174.871.70000111.3V830 Y832 Y834 D847V828-V830 VanDerWaalsContact C-N 3.29Å; V828-Y832 HydrophobicContact CB-CD2 4.11Å; V828-Y832 HydrophobicContact CB-CE2 3.41Å; V828-Y832 VanDerWaalsContact CB-CE2 3.41Å; V828-Y832 HydrophobicContact CG2-CD2 3.92Å; V828-Y832 HydrophobicContact CG2-CE2 3.56Å; V828-Y834 HydrophobicContact CB-CD1 4.47Å; V828-Y834 HydrophobicContact CB-CE1 4.28Å; V828-Y834 HydrophobicContact CG1-CD1 4.19Å; V828-Y834 HydrophobicContact CG1-CE1 3.6Å; V828-Y834 HydrophobicContact CG2-CD1 3.44Å; V828-Y834 VanDerWaalsContact CG2-CD1 3.44Å; V828-Y834 HydrophobicContact CG2-CD2 4.23Å; V828-Y834 HydrophobicContact CG2-CE1 3.68Å; V828-Y834 HydrophobicContact CG2-CE2 4.44Å; V828-Y834 HydrophobicContact CG2-CG 3.74Å; V828-D847 WeakPolarHBondContact CB-OD1 3.22Å; V828-D847 HydrophobicContact CG1-CB 4.42Å
829G71.9Confident67.5Low5 Ų565.9 Ų65.95%0.05233%0.334CS..THydrogen-bonded Turntrans79.93.2-172.800000114.7I785 Y832I785-G829 VanDerWaalsContact CG1-C 3.41Å; I785-G829 WeakPolarHBondContact CG1-O 3.33Å; G829-Y832 PolarHBondContact N-O 2.76Å
830V72.1Confident70.6Confident57 Ų5757.8 Ų57.835%0.34530%0.297SS..THydrogen-bonded Turntrans-132.5-50.8175.1-174.50000112.1I785 R789 V827 V828I785-V830 WeakPolarHBondContact CG2-O 3.31Å; R789-V830 PolarHBondContact NE-O 3.03Å; R789-V830 PolarHBondContact NH2-O 2.87Å; V827-V830 HydrophobicContact CB-CB 4.37Å; V827-V830 HydrophobicContact CG1-CG2 4.24Å; V827-V830 PolarHBondContact O-N 2.99Å; V827-V830 VanDerWaalsContact O-N 3.12Å; V828-V830 VanDerWaalsContact C-N 3.29Å
831D73.7Confident73.5Confident44 Ų4451.5 Ų51.524%0.23527%0.267CS..THydrogen-bonded Turntrans-91.7-41.3176.9-69.6-68.3000112R789 Y826 V827R789-D831 PolarHBondContact NH2-O 2.77Å; Y826-D831 WeakPolarHBondContact CA-OD2 3.24Å; Y826-D831 HydrophobicContact CD1-CB 3.89Å; V827-D831 PolarHBondContact N-OD2 2.82Å; V827-D831 PolarHBondContact O-N 3.49Å
832Y82.3Confident76.4Confident21 Ų2144 Ų448%0.08224%0.235CC..BIsolated β-bridgetrans-140152.1-178.858.5-88.8000112P625 I785 Y826 V828 G829 D847P625-Y832 HydrophobicContact CB-CD1 4.2Å; P625-Y832 HydrophobicContact CB-CE1 3.86Å; P625-Y832 HydrophobicContact CG-CD1 4.39Å; P625-Y832 HydrophobicContact CG-CD2 4.5Å; P625-Y832 HydrophobicContact CG-CE1 3.86Å; P625-Y832 HydrophobicContact CG-CE2 3.97Å; I785-Y832 VanDerWaalsContact CD1-C 3.42Å; Y826-Y832 WeakPolarHBondContact O-CE1 3.21Å; Y826-Y832 PolarHBondContact O-OH 3.22Å; V828-Y832 HydrophobicContact CB-CD2 4.11Å; V828-Y832 HydrophobicContact CB-CE2 3.41Å; V828-Y832 VanDerWaalsContact CB-CE2 3.41Å; V828-Y832 HydrophobicContact CG2-CD2 3.92Å; V828-Y832 HydrophobicContact CG2-CE2 3.56Å; G829-Y832 PolarHBondContact N-O 2.76Å; Y832-D847 PolarHBondContact OH-OD1 3.19Å
833P86.8Confident79.3Confident0 Ų039.4 Ų39.40%020%0.202CC..  trans-69.3157.3177.730.9-39.9000112.9N779 L780 F782 I785N779-P833 HydrophobicContact CB-CB 4Å; N779-P833 HydrophobicContact CB-CG 3.78Å; N779-P833 WeakPolarHBondContact ND2-CG 3.2Å; L780-P833 CarbonylContact O-C 3.57Å; L780-P833 WeakPolarHBondContact O-CA 3.43Å; L780-P833 WeakPolarHBondContact O-CB 3.25Å; F782-P833 HydrophobicContact CD2-CB 4.21Å; F782-P833 HydrophobicContact CD2-CG 4.34Å; F782-P833 HydrophobicContact CE1-CG 4.03Å; F782-P833 HydrophobicContact CE2-CB 4.14Å; F782-P833 HydrophobicContact CE2-CG 3.79Å; F782-P833 HydrophobicContact CG-CB 4.46Å; F782-P833 HydrophobicContact CZ-CB 4.31Å; F782-P833 HydrophobicContact CZ-CG 3.62Å; I785-P833 HydrophobicContact CD1-CB 4.25Å
834Y90.4Very high81.7Confident5 Ų537 Ų372%0.0218%0.18CC..EExtended strand (participates in β ladder)trans-61.4157.2164.7-64.2-84.8000110.7N779 L780 V828 L845 I852 L887 Q890N779-Y834 CarbonylContact C-O 3.6Å; N779-Y834 VanDerWaalsContact CA-O 3.28Å; N779-Y834 WeakPolarHBondContact CA-O 3.38Å; N779-Y834 PolarHBondContact ND2-O 2.83Å; L780-Y834 PolarHBondContact N-O 2.68Å; L780-Y834 PolarHBondContact O-N 3.34Å; V828-Y834 HydrophobicContact CB-CD1 4.47Å; V828-Y834 HydrophobicContact CB-CE1 4.28Å; V828-Y834 HydrophobicContact CG1-CD1 4.19Å; V828-Y834 HydrophobicContact CG1-CE1 3.6Å; V828-Y834 HydrophobicContact CG2-CD1 3.44Å; V828-Y834 VanDerWaalsContact CG2-CD1 3.44Å; V828-Y834 HydrophobicContact CG2-CD2 4.23Å; V828-Y834 HydrophobicContact CG2-CE1 3.68Å; V828-Y834 HydrophobicContact CG2-CE2 4.44Å; V828-Y834 HydrophobicContact CG2-CG 3.74Å; Y834-L845 HydrophobicContact CD1-CD2 4.48Å; Y834-I852 HydrophobicContact CD1-CD1 3.63Å; Y834-I852 HydrophobicContact CE1-CD1 3.69Å; Y834-L887 HydrophobicContact CD2-CD2 3.77Å; Y834-L887 HydrophobicContact CE2-CD2 4.29Å; Y834-Q890 PolarHBondContact OH-NE2 3.19Å; Y834-Q890 PolarHBondContact OH-OE1 3.04Å
835I92.6Very high83.7Confident0 Ų030 Ų300%015%0.15CC..EExtended strand (participates in β ladder)trans-111.1130.6172.5-68.7168.9000108.6L622 Y742 F768 N779 L845 L846L622-I835 HydrophobicContact CB-CD1 4.42Å; L622-I835 HydrophobicContact CD1-CD1 4.29Å; L622-I835 HydrophobicContact CD1-CG1 4.36Å; L622-I835 HydrophobicContact CD1-CG2 3.69Å; Y742-I835 HydrophobicContact CD2-CD1 4.11Å; F768-I835 HydrophobicContact CE1-CG2 3.73Å; F768-I835 HydrophobicContact CZ-CD1 4.23Å; F768-I835 HydrophobicContact CZ-CG2 4.04Å; N779-I835 WeakPolarHBondContact ND2-CG1 3.5Å; I835-L845 CarbonylContact O-C 3.55Å; I835-L845 WeakPolarHBondContact O-CA 3.35Å; I835-L846 HydrophobicContact CB-CB 4.27Å; I835-L846 HydrophobicContact CG2-CD1 4.09Å; I835-L846 PolarHBondContact N-O 2.84Å; I835-L846 PolarHBondContact O-N 2.93Å
836L93.8Very high85.3Confident0 Ų021.5 Ų21.50%011%0.11CC..EExtended strand (participates in β ladder)trans-114.2128.5166.1-164.187.9000110.6A777 F778 L780 V838 R844 L845 I873 L928A777-L836 WeakPolarHBondContact CA-O 3.5Å; F778-L836 PolarHBondContact N-O 2.89Å; F778-L836 PolarHBondContact O-N 2.94Å; L780-L836 HydrophobicContact CD1-CB 3.96Å; L836-V838 HydrophobicContact CD2-CG2 4.15Å; L836-R844 WeakPolarHBondContact CA-O 3.26Å; L836-R844 WeakPolarHBondContact CD1-O 3.41Å; L836-L845 HydrophobicContact CB-CD1 4.35Å; L836-L845 HydrophobicContact CD1-CB 3.9Å; L836-L845 HydrophobicContact CD1-CD1 3.74Å; L836-L845 HydrophobicContact CD1-CG 4.45Å; L836-I873 HydrophobicContact CB-CD1 4.44Å; L836-I873 HydrophobicContact CD2-CD1 3.42Å; L836-I873 VanDerWaalsContact CD2-CD1 3.42Å; L836-L928 HydrophobicContact CD1-CD1 3.85Å
837Q94.4Very high86.4Confident0 Ų017.4 Ų17.40%010%0.096CC..EExtended strand (participates in β ladder)trans-105.6127.1168.6-171-172.211.800109.7L744 F768 N769 T774 R844 L846L744-Q837 HydrophobicContact CD2-CG 4.19Å; F768-Q837 HydrophobicContact CD1-CB 4.46Å; N769-Q837 PolarHBondContact O-NE2 2.87Å; T774-Q837 HydrophobicContact CG2-CG 3.77Å; T774-Q837 PolarHBondContact OG1-NE2 2.9Å; Q837-R844 HydrophobicContact CB-CB 4.48Å; Q837-R844 PolarHBondContact N-O 2.81Å; Q837-R844 PolarHBondContact O-N 3.11Å; Q837-L846 HydrophobicContact CB-CD1 4.34Å
838V94.3Very high87Confident0 Ų013.6 Ų13.60%07%0.074CC..EExtended strand (participates in β ladder)trans-101.1115.1173.5-175.30000108.5T774 V775 G776 F778 L836 L843 I863 A866 L875T774-V838 CarbonylContact C-O 3.48Å; V775-V838 HydrophobicContact CB-CB 4.49Å; V775-V838 HydrophobicContact CB-CG1 4.12Å; V775-V838 PolarHBondContact N-O 2.96Å; G776-V838 PolarHBondContact N-O 2.97Å; G776-V838 WeakPolarHBondContact O-CB 3.18Å; G776-V838 PolarHBondContact O-N 2.95Å; F778-V838 HydrophobicContact CD2-CG2 4.26Å; F778-V838 HydrophobicContact CE2-CG2 3.97Å; L836-V838 HydrophobicContact CD2-CG2 4.15Å; V838-L843 HydrophobicContact CB-CD2 4.18Å; V838-L843 HydrophobicContact CG1-CD2 3.83Å; V838-L843 HydrophobicContact CG2-CD2 3.9Å; V838-I863 HydrophobicContact CG1-CD1 4.33Å; V838-I863 HydrophobicContact CG1-CG2 3.97Å; V838-A866 HydrophobicContact CG1-CB 4.28Å; V838-A866 HydrophobicContact CG2-CB 4.38Å; V838-L875 HydrophobicContact CG1-CD2 3.94Å; V838-L875 HydrophobicContact CG2-CD2 4.21Å
839S92.6Very high87.6Confident0 Ų014.6 Ų14.60%08%0.08CC..  trans-103.6161.1170.8-40.40000109.2N769 E772 T841 S842N769-S839 VanDerWaalsContact ND2-CB 3.34Å; N769-S839 WeakPolarHBondContact ND2-CB 3.48Å; N769-S839 PolarHBondContact ND2-OG 2.88Å; E772-S839 VanDerWaalsContact OE2-CB 3.24Å; E772-S839 WeakPolarHBondContact OE2-CB 3.48Å; S839-T841 PolarHBondContact O-N 2.94Å; S839-S842 WeakPolarHBondContact CA-O 3.33Å; S839-S842 WeakPolarHBondContact CB-O 3.36Å; S839-S842 PolarHBondContact N-O 2.81Å; S839-S842 PolarHBondContact O-N 2.89Å
840P90.2Very high88.4Confident13 Ų1322.1 Ų22.18%0.08411%0.107CC..SBendtrans-54.8-27.9178.6-27.634.7000114.3M773 V775 R862 I863M773-P840 HydrophobicContact CG-CG 3.41Å; M773-P840 VanDerWaalsContact CG-CG 3.41Å; M773-P840 WeakPolarHBondContact O-CD 3.5Å; M773-P840 HydrophobicContact SD-CG 3.89Å; V775-P840 HydrophobicContact CG2-CG 4.01Å; P840-R862 HydrophobicContact CB-CB 4Å; P840-R862 HydrophobicContact CB-CG 4.19Å; P840-R862 CarbonylContact O-C 3.58Å; P840-R862 VanDerWaalsContact O-CA 3.29Å; P840-R862 WeakPolarHBondContact O-CA 3.37Å; P840-I863 PolarHBondContact O-N 2.87Å
841T88.2Confident89.1Confident40 Ų4022 Ų2225%0.24510%0.104CC..SBendtrans-101.7-22.9-178.961.90000114.6E772 S839E772-T841 VanDerWaalsContact CD-OG1 3.3Å; E772-T841 WeakPolarHBondContact OE1-CG2 3.46Å; E772-T841 PolarHBondContact OE1-OG1 2.86Å; E772-T841 PolarHBondContact OE2-OG1 2.97Å; S839-T841 PolarHBondContact O-N 2.94Å
842S88.9Confident89.8Confident2 Ų222.7 Ų22.71%0.01411%0.107CC..  trans-161.8156.2-158.954.50000114.5S839 Y854 V855S839-S842 WeakPolarHBondContact CA-O 3.33Å; S839-S842 WeakPolarHBondContact CB-O 3.36Å; S839-S842 PolarHBondContact N-O 2.81Å; S839-S842 PolarHBondContact O-N 2.89Å; S842-Y854 VanDerWaalsContact CB-CE2 3.44Å; S842-V855 WeakPolarHBondContact CA-O 3.33Å
843L91.6Very high90Very high1 Ų122.1 Ų22.11%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-108138.6174.3-50.7173.6000109.4V838 Y854 V855 V857 I863 L875 V885V838-L843 HydrophobicContact CB-CD2 4.18Å; V838-L843 HydrophobicContact CG1-CD2 3.83Å; V838-L843 HydrophobicContact CG2-CD2 3.9Å; L843-Y854 WeakPolarHBondContact O-CA 3.48Å; L843-V855 HydrophobicContact CB-CB 4.34Å; L843-V855 PolarHBondContact N-O 3.04Å; L843-V855 PolarHBondContact O-N 2.77Å; L843-V857 HydrophobicContact CD1-CG2 3.67Å; L843-V857 HydrophobicContact CG-CG2 3.84Å; L843-I863 HydrophobicContact CD2-CD1 4.32Å; L843-L875 HydrophobicContact CD1-CD1 3.92Å; L843-L875 HydrophobicContact CD2-CD1 3.75Å; L843-L875 HydrophobicContact CG-CD1 4.36Å; L843-V885 HydrophobicContact CD1-CG1 4.44Å; L843-V885 HydrophobicContact CD1-CG2 3.8Å
844R92.5Very high90.1Very high48 Ų4824 Ų2418%0.18111%0.113CC..EExtended strand (participates in β ladder)trans-126.7123.4173.6-66.6-172.2-174.8-161.110.1110.3G767 F768 L836 Q837 L846 L851 E853 Y854G767-R844 PolarHBondContact O-NH1 3Å; F768-R844 PolarHBondContact O-NH1 2.82Å; L836-R844 WeakPolarHBondContact CA-O 3.26Å; L836-R844 WeakPolarHBondContact CD1-O 3.41Å; Q837-R844 HydrophobicContact CB-CB 4.48Å; Q837-R844 PolarHBondContact N-O 2.81Å; Q837-R844 PolarHBondContact O-N 3.11Å; R844-L846 HydrophobicContact CB-CD1 4.03Å; R844-L846 WeakPolarHBondContact O-CD1 3.45Å; R844-L851 HydrophobicContact CB-CD1 3.7Å; R844-L851 HydrophobicContact CG-CD1 3.94Å; R844-E853 WeakPolarHBondContact CA-O 3.16Å; R844-Y854 HydrophobicContact CG-CD2 4.12Å
845L92.1Very high89.9Confident0 Ų024.1 Ų24.10%011%0.114CC..EExtended strand (participates in β ladder)trans-99128.2171.3-169.673.8000109.3L780 Y834 I835 L836 I852 E853 L887 H927 L928L780-L845 HydrophobicContact CD1-CD1 4.47Å; Y834-L845 HydrophobicContact CD1-CD2 4.48Å; I835-L845 CarbonylContact O-C 3.55Å; I835-L845 WeakPolarHBondContact O-CA 3.35Å; L836-L845 HydrophobicContact CB-CD1 4.35Å; L836-L845 HydrophobicContact CD1-CB 3.9Å; L836-L845 HydrophobicContact CD1-CD1 3.74Å; L836-L845 HydrophobicContact CD1-CG 4.45Å; L845-I852 HydrophobicContact CD2-CD1 4.34Å; L845-I852 HydrophobicContact CG-CD1 4.3Å; L845-I852 WeakPolarHBondContact O-CB 3.37Å; L845-I852 PolarHBondContact O-N 2.86Å; L845-E853 HydrophobicContact CB-CB 4.2Å; L845-E853 PolarHBondContact N-O 2.95Å; L845-E853 PolarHBondContact O-N 2.88Å; L845-L887 HydrophobicContact CD2-CD1 4.25Å; L845-H927 HydrophobicContact CD2-CB 3.46Å; L845-H927 VanDerWaalsContact CD2-CB 3.46Å; L845-L928 HydrophobicContact CB-CD1 4.42Å; L845-L928 HydrophobicContact CD1-CD2 4.4Å; L845-L928 HydrophobicContact CD2-CD2 4.34Å; L845-L928 HydrophobicContact CD2-CG 4.36Å
846L91.1Very high89.5Confident0 Ų025.9 Ų25.90%012%0.122CC..EExtended strand (participates in β ladder)trans-127.1148-172.9-54.2101000113.2F768 I835 Q837 R844 G848 R850 L851F768-L846 HydrophobicContact CD1-CD1 3.99Å; F768-L846 HydrophobicContact CD1-CD2 3.99Å; F768-L846 HydrophobicContact CD2-CD2 4.04Å; F768-L846 HydrophobicContact CE1-CD1 3.94Å; F768-L846 HydrophobicContact CE1-CD2 4.19Å; F768-L846 HydrophobicContact CE2-CD2 4.22Å; F768-L846 HydrophobicContact CG-CD2 3.91Å; F768-L846 HydrophobicContact CZ-CD2 4.3Å; I835-L846 HydrophobicContact CB-CB 4.27Å; I835-L846 HydrophobicContact CG2-CD1 4.09Å; I835-L846 PolarHBondContact N-O 2.84Å; I835-L846 PolarHBondContact O-N 2.93Å; Q837-L846 HydrophobicContact CB-CD1 4.34Å; R844-L846 HydrophobicContact CB-CD1 4.03Å; R844-L846 WeakPolarHBondContact O-CD1 3.45Å; L846-G848 WeakPolarHBondContact CB-O 3.25Å; L846-R850 CarbonylContact C-O 3.52Å; L846-R850 VanDerWaalsContact CA-O 3.24Å; L846-R850 WeakPolarHBondContact CA-O 3.46Å; L846-R850 WeakPolarHBondContact CB-O 3.44Å; L846-L851 HydrophobicContact CG-CD1 4.36Å
847D88.3Confident88.8Confident33 Ų3325.9 Ų25.918%0.17612%0.122CC..EExtended strand (participates in β ladder)trans-103.786.7171.317324.7000107V828 Y832 P849 R850 I852V828-D847 WeakPolarHBondContact CB-OD1 3.22Å; V828-D847 HydrophobicContact CG1-CB 4.42Å; Y832-D847 PolarHBondContact OH-OD1 3.19Å; D847-P849 WeakPolarHBondContact O-CD 3.4Å; D847-P849 VanDerWaalsContact O-N 3.17Å; D847-R850 HydrophobicContact CB-CB 4.27Å; D847-R850 PolarHBondContact N-O 2.99Å; D847-R850 WeakPolarHBondContact O-CB 3.41Å; D847-R850 PolarHBondContact O-N 2.84Å; D847-R850 IonicContact OD2-NH1 3.21Å; D847-I852 HydrophobicContact CB-CD1 3.8Å; D847-I852 HydrophobicContact CB-CG1 3.73Å
848G85Confident88Confident0 Ų027 Ų270%013%0.129CC..THydrogen-bonded Turntrans55.5-118.4-166.200000111.2L846 R850L846-G848 WeakPolarHBondContact CB-O 3.25Å; G848-R850 VanDerWaalsContact C-N 3.31Å; G848-R850 PolarHBondContact O-N 2.85Å
849P86.5Confident87Confident37 Ų3732 Ų3224%0.2416%0.155CC..THydrogen-bonded Turntrans-80.2-6.6177.236.4-37.2000113.8I627 L763 G767 D847I627-P849 HydrophobicContact CD1-CB 4.01Å; I627-P849 HydrophobicContact CD1-CG 3.84Å; I627-P849 HydrophobicContact CG1-CG 4.37Å; L763-P849 HydrophobicContact CD2-CB 4.14Å; G767-P849 PolarHBondContact N-O 2.83Å; D847-P849 WeakPolarHBondContact O-CD 3.4Å; D847-P849 VanDerWaalsContact O-N 3.17Å
850R88.1Confident86.4Confident164 Ų16440.1 Ų40.162%0.61919%0.193SC*.EExtended strand (participates in β ladder)trans-96.4123.3-171.1178.3-173.5177.5-174.10.6111.5L846 D847 G848 I852L846-R850 CarbonylContact C-O 3.52Å; L846-R850 VanDerWaalsContact CA-O 3.24Å; L846-R850 WeakPolarHBondContact CA-O 3.46Å; L846-R850 WeakPolarHBondContact CB-O 3.44Å; D847-R850 HydrophobicContact CB-CB 4.27Å; D847-R850 PolarHBondContact N-O 2.99Å; D847-R850 WeakPolarHBondContact O-CB 3.41Å; D847-R850 PolarHBondContact O-N 2.84Å; D847-R850 IonicContact OD2-NH1 3.21Å; G848-R850 VanDerWaalsContact C-N 3.31Å; G848-R850 PolarHBondContact O-N 2.85Å; R850-I852 PolarHBondContact O-N 2.84Å
851L88.3Confident86.1Confident54 Ų5444.7 Ų44.728%0.28321%0.209SC..EExtended strand (participates in β ladder)trans-65.4128.1171.5-175.465.5000111R844 L846 E853R844-L851 HydrophobicContact CB-CD1 3.7Å; R844-L851 HydrophobicContact CG-CD1 3.94Å; L846-L851 HydrophobicContact CG-CD1 4.36Å; L851-E853 WeakPolarHBondContact CD1-O 3.32Å
852I87.3Confident86.2Confident59 Ų5950 Ų5030%0.30322%0.224SC..EExtended strand (participates in β ladder)trans-96.7-57.1172-47174.4000109.6Y834 L845 D847 R850Y834-I852 HydrophobicContact CD1-CD1 3.63Å; Y834-I852 HydrophobicContact CE1-CD1 3.69Å; L845-I852 HydrophobicContact CD2-CD1 4.34Å; L845-I852 HydrophobicContact CG-CD1 4.3Å; L845-I852 WeakPolarHBondContact O-CB 3.37Å; L845-I852 PolarHBondContact O-N 2.86Å; D847-I852 HydrophobicContact CB-CD1 3.8Å; D847-I852 HydrophobicContact CB-CG1 3.73Å; R850-I852 PolarHBondContact O-N 2.84Å
853E87.2Confident86.3Confident8 Ų850.2 Ų50.24%0.03723%0.225CC..EExtended strand (participates in β ladder)trans-140.6140.3-167-170.7154-113.600110.3R844 L845 L851 V855 T925 T926 H927 L928R844-E853 WeakPolarHBondContact CA-O 3.16Å; L845-E853 HydrophobicContact CB-CB 4.2Å; L845-E853 PolarHBondContact N-O 2.95Å; L845-E853 PolarHBondContact O-N 2.88Å; L851-E853 WeakPolarHBondContact CD1-O 3.32Å; E853-V855 HydrophobicContact CG-CG2 4.17Å; E853-T925 VanDerWaalsContact CD-OG1 3.25Å; E853-T925 VanDerWaalsContact OE1-CB 3.29Å; E853-T925 WeakPolarHBondContact OE1-CB 3.46Å; E853-T925 PolarHBondContact OE1-OG1 3.01Å; E853-T925 PolarHBondContact OE2-OG1 3.16Å; E853-T925 VanDerWaalsContact OE2-OG1 3.06Å; E853-T926 WeakPolarHBondContact OE1-CA 3.38Å; E853-T926 WeakPolarHBondContact OE1-CB 3.38Å; E853-T926 PolarHBondContact OE1-N 3.42Å; E853-T926 PolarHBondContact OE1-OG1 3.17Å; E853-H927 WeakPolarHBondContact OE2-CA 3.36Å; E853-H927 WeakPolarHBondContact OE2-CB 3.23Å; E853-H927 PolarHBondContact OE2-N 3.24Å; E853-L928 PolarHBondContact OE2-N 3.41Å
854Y88.6Confident86.2Confident41 Ų4154.6 Ų54.616%0.16125%0.245CC..EExtended strand (participates in β ladder)trans-125.3127.8178.8168.1-86.1000107.8S842 L843 R844 Q856 I906 I907 T908S842-Y854 VanDerWaalsContact CB-CE2 3.44Å; L843-Y854 WeakPolarHBondContact O-CA 3.48Å; R844-Y854 HydrophobicContact CG-CD2 4.12Å; Y854-Q856 HydrophobicContact CE1-CB 4.05Å; Y854-Q856 PolarHBondContact OH-OE1 2.87Å; Y854-I906 HydrophobicContact CD1-CG2 4.39Å; Y854-I906 HydrophobicContact CG-CG2 4.47Å; Y854-I907 VanDerWaalsContact O-O 3.12Å; Y854-T908 HydrophobicContact CD1-CG2 4.19Å; Y854-T908 HydrophobicContact CE1-CG2 4.13Å
855V86.7Confident86.1Confident6 Ų653.1 Ų53.14%0.03624%0.241CC..EExtended strand (participates in β ladder)trans-130.2126.5-178.6-175.10000109.3S842 L843 E853 T925 L928 V930S842-V855 WeakPolarHBondContact CA-O 3.33Å; L843-V855 HydrophobicContact CB-CB 4.34Å; L843-V855 PolarHBondContact N-O 3.04Å; L843-V855 PolarHBondContact O-N 2.77Å; E853-V855 HydrophobicContact CG-CG2 4.17Å; V855-T925 HydrophobicContact CG2-CG2 4.11Å; V855-L928 HydrophobicContact CG2-CD1 4.19Å; V855-V930 HydrophobicContact CG1-CG2 4.15Å
856Q84.1Confident86.1Confident37 Ų3753.2 Ų53.217%0.17324%0.242CC..EExtended strand (participates in β ladder)trans-102.8107.3177.9-177.7157.67.300109.8Y854 T858 L859 S909Y854-Q856 HydrophobicContact CE1-CB 4.05Å; Y854-Q856 PolarHBondContact OH-OE1 2.87Å; Q856-T858 WeakPolarHBondContact CG-O 3.49Å; Q856-T858 PolarHBondContact NE2-O 2.74Å; Q856-L859 VanDerWaalsContact NE2-CD2 3.28Å; Q856-S909 PolarHBondContact N-O 2.88Å
857V78.7Confident86.2Confident1 Ų154.1 Ų54.11%0.00625%0.248CC..  trans-74.8-40.8-173.2-172.10000111.2L843 I863 L875 F883 L911L843-V857 HydrophobicContact CD1-CG2 3.67Å; L843-V857 HydrophobicContact CG-CG2 3.84Å; V857-I863 HydrophobicContact CB-CD1 4.29Å; V857-I863 HydrophobicContact CG2-CD1 4.12Å; V857-L875 HydrophobicContact CG2-CD1 4.35Å; V857-F883 HydrophobicContact CG1-CB 4.25Å; V857-F883 HydrophobicContact CG1-CD1 3.77Å; V857-F883 HydrophobicContact CG1-CD2 3.81Å; V857-F883 HydrophobicContact CG1-CE1 4.02Å; V857-F883 HydrophobicContact CG1-CE2 4.06Å; V857-F883 HydrophobicContact CG1-CG 3.67Å; V857-F883 HydrophobicContact CG1-CZ 4.16Å; V857-L911 HydrophobicContact CG1-CD1 4.36Å; V857-L911 WeakPolarHBondContact O-CB 3.49Å; V857-L911 WeakPolarHBondContact O-CD1 3.46Å
858T77.7Confident86.4Confident24 Ų2454.2 Ų54.215%0.14725%0.251CS..  trans-142.9159.6-176.838.30000111.5Q856 W861 T877 F883Q856-T858 WeakPolarHBondContact CG-O 3.49Å; Q856-T858 PolarHBondContact NE2-O 2.74Å; T858-W861 VanDerWaalsContact CB-O 3.27Å; T858-W861 WeakPolarHBondContact CB-O 3.39Å; T858-W861 PolarHBondContact OG1-O 2.94Å; T858-T877 HydrophobicContact CG2-CG2 4Å; T858-F883 HydrophobicContact CG2-CE2 4.4Å; T858-F883 HydrophobicContact CG2-CZ 4.37Å
859L72.3Confident86.7Confident104 Ų10454.8 Ų54.855%0.54526%0.255SS..SBendtrans-116.6-23.6176.2-85.1158.2000113.1Q856 I912Q856-L859 VanDerWaalsContact NE2-CD2 3.28Å; L859-I912 HydrophobicContact CD1-CD1 3.46Å; L859-I912 VanDerWaalsContact CD1-CD1 3.46Å; L859-I912 HydrophobicContact CD1-CG1 4.03Å
860E80.9Confident86.8Confident170 Ų17054.2 Ų54.279%0.79425%0.25SS*.SBendtrans-102.5-43.2-176.3-58.9-175146.900112.1
861W84.6Confident86.9Confident110 Ų11046.7 Ų46.742%0.41722%0.223SC..SBendtrans-110.7142.4-175.1-55.5122.1000112.7T858 E878 D879T858-W861 VanDerWaalsContact CB-O 3.27Å; T858-W861 WeakPolarHBondContact CB-O 3.39Å; T858-W861 PolarHBondContact OG1-O 2.94Å; W861-E878 HydrophobicContact CE3-CB 4.27Å; W861-D879 HydrophobicContact CB-CB 4.36Å; W861-D879 HydrophobicContact CD2-CB 3.65Å; W861-D879 VanDerWaalsContact CE2-CB 3.49Å; W861-D879 HydrophobicContact CE3-CB 4.42Å; W861-D879 HydrophobicContact CG-CB 3.58Å; W861-D879 HydrophobicContact CZ2-CB 4.13Å; W861-D879 VanDerWaalsContact NE1-CB 3.28Å; W861-D879 PolarHBondContact NE1-OD2 3.48Å
862R89.9Confident87.1Confident152 Ų15245 Ų4557%0.57421%0.213SC*.  trans-86.5154.5178.2-60.4166.1166-178.3-7.5111.9P840 T877 E878P840-R862 HydrophobicContact CB-CB 4Å; P840-R862 HydrophobicContact CB-CG 4.19Å; P840-R862 CarbonylContact O-C 3.58Å; P840-R862 VanDerWaalsContact O-CA 3.29Å; P840-R862 WeakPolarHBondContact O-CA 3.37Å; R862-T877 CarbonylContact O-C 3.57Å; R862-T877 WeakPolarHBondContact O-CA 3.34Å; R862-E878 HydrophobicContact CB-CG 4.28Å; R862-E878 VanDerWaalsContact CB-OE2 3.25Å; R862-E878 WeakPolarHBondContact CB-OE2 3.4Å; R862-E878 WeakPolarHBondContact CG-OE2 3.16Å; R862-E878 PolarHBondContact N-OE2 2.9Å; R862-E878 PolarHBondContact O-N 2.87Å
863I91Very high87.4Confident5 Ų542.2 Ų42.23%0.02620%0.199CC..EExtended strand (participates in β ladder)trans-76123.7168.1-60.8165.4000108.5V775 V838 P840 L843 V857 L875 C876 T877V775-I863 WeakPolarHBondContact CG2-O 3.42Å; V838-I863 HydrophobicContact CG1-CD1 4.33Å; V838-I863 HydrophobicContact CG1-CG2 3.97Å; P840-I863 PolarHBondContact O-N 2.87Å; L843-I863 HydrophobicContact CD2-CD1 4.32Å; V857-I863 HydrophobicContact CB-CD1 4.29Å; V857-I863 HydrophobicContact CG2-CD1 4.12Å; I863-L875 HydrophobicContact CD1-CD1 4.25Å; I863-L875 HydrophobicContact CG2-CB 4.39Å; I863-L875 HydrophobicContact CG2-CD2 4.3Å; I863-C876 WeakPolarHBondContact CA-O 3.37Å; I863-T877 HydrophobicContact CG1-CG2 4.48Å
864H88.7Confident87.8Confident94 Ų9441.9 Ų41.944%0.43520%0.197SC..EExtended strand (participates in β ladder)trans-106-37.9-178156.630.1000112.2C876H864-C876 PolarHBondContact N-O 3.41Å
865L90.4Very high88Confident16 Ų1639.9 Ų39.98%0.08419%0.189CC..EExtended strand (participates in β ladder)trans-125.1141.5-177-65.2173.8000110.9L875 C876 F944 T1238L865-L875 WeakPolarHBondContact O-CA 3.42Å; L865-C876 HydrophobicContact CB-CB 4.23Å; L865-C876 PolarHBondContact N-O 3.34Å; L865-C876 PolarHBondContact O-N 3.41Å; L865-F944 HydrophobicContact CB-CE1 3.53Å; L865-F944 HydrophobicContact CB-CZ 3.54Å; L865-F944 HydrophobicContact CD1-CD1 4.17Å; L865-F944 HydrophobicContact CD1-CE1 3.7Å; L865-F944 HydrophobicContact CG-CE1 4.27Å; L865-T1238 HydrophobicContact CD2-CG2 4.21Å
866A92.2Very high88.3Confident2 Ų239.8 Ų39.82%0.01719%0.189CC..EExtended strand (participates in β ladder)trans-140.7137.2171.800000111.4V775 F778 V838 L874 L875 H1239V775-A866 HydrophobicContact CG1-CB 4.37Å; F778-A866 HydrophobicContact CE2-CB 4Å; F778-A866 HydrophobicContact CZ-CB 4.09Å; V838-A866 HydrophobicContact CG1-CB 4.28Å; V838-A866 HydrophobicContact CG2-CB 4.38Å; A866-L874 WeakPolarHBondContact CA-O 3.45Å; A866-L875 HydrophobicContact CB-CD2 3.66Å; A866-H1239 PolarHBondContact O-CE1 2.91Å
867S93.8Very high88.7Confident20 Ų2038.1 Ų38.114%0.1418%0.181CC..EExtended strand (participates in β ladder)trans-138.2141.2175-171.10000110.3I873 L874 L946S867-I873 CarbonylContact O-C 3.57Å; S867-I873 VanDerWaalsContact O-CA 3.3Å; S867-I873 WeakPolarHBondContact O-CA 3.48Å; S867-L874 PolarHBondContact N-O 3.05Å; S867-L874 PolarHBondContact O-N 2.77Å; S867-L946 WeakPolarHBondContact O-CD1 3.11Å; S867-L946 PolarHBondContact OG-N 2.83Å
868C92.2Very high89.2Confident34 Ų3442.9 Ų42.923%0.2320%0.203CC..EExtended strand (participates in β ladder)trans-124.6135.5-172.2-175.80000111.5F778 I873F778-C868 HydrophobicContact CB-CB 4.14Å; F778-C868 HydrophobicContact CD1-CB 3.39Å; F778-C868 HydrophobicContact CD2-CB 4.04Å; F778-C868 HydrophobicContact CE1-CB 3.69Å; F778-C868 HydrophobicContact CE2-CB 4.3Å; F778-C868 HydrophobicContact CG-CB 3.59Å; F778-C868 HydrophobicContact CZ-CB 4.13Å; C868-I873 HydrophobicContact CB-CD1 4.47Å; C868-I873 HydrophobicContact CB-CG1 3.81Å; C868-I873 VanDerWaalsContact SG-CG1 3.57Å
869A91.2Very high89.7Confident12 Ų1245.3 Ų45.310%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-142.291.5161.700000107.2Y872 L946 H948 Y1085A869-Y872 CarbonylContact C-O 3.59Å; A869-Y872 PolarHBondContact N-O 2.8Å; A869-Y872 PolarHBondContact O-N 2.87Å; A869-L946 HydrophobicContact CB-CB 3.58Å; A869-L946 HydrophobicContact CB-CD1 4.33Å; A869-H948 HydrophobicContact CB-CB 4.45Å; A869-Y1085 HydrophobicContact CB-CD1 4.36Å
870D88.1Confident90.4Very high25 Ų2544.7 Ų44.713%0.13421%0.213CC..THydrogen-bonded Turntrans-41.2122-176-177.736.1000112.3L780 G781 F782 Y1085L780-D870 VanDerWaalsContact CA-OD1 3.29Å; L780-D870 WeakPolarHBondContact CA-OD1 3.38Å; L780-D870 HydrophobicContact CD2-CB 4.14Å; L780-D870 WeakPolarHBondContact CD2-OD1 3.46Å; G781-D870 PolarHBondContact N-OD1 2.69Å; G781-D870 PolarHBondContact N-OD2 2.76Å; F782-D870 PolarHBondContact N-OD2 3.33Å; D870-Y1085 WeakPolarHBondContact O-CE1 3.42Å; D870-Y1085 PolarHBondContact O-OH 3.44Å
871P90.4Very high90.8Very high6 Ų639 Ų394%0.03919%0.186CC..THydrogen-bonded Turncis-93.513.113.738.2-38.1000116.3Y784 R886 L887 Y1085Y784-P871 HydrophobicContact CE2-CB 4.24Å; P871-R886 WeakPolarHBondContact O-CA 3.33Å; P871-L887 HydrophobicContact CB-CB 4.16Å; P871-L887 PolarHBondContact O-N 2.68Å; P871-Y1085 VanDerWaalsContact CD-OH 3.29Å; P871-Y1085 WeakPolarHBondContact CD-OH 3.32Å
872Y93.5Very high91.1Very high18 Ų1834.3 Ų34.37%0.07117%0.169CC..EExtended strand (participates in β ladder)trans-105.7142.8-175.2-61.3-79.2000113.5A869 L884 V885 R886 L946 Y1085 L1101 P1102A869-Y872 CarbonylContact C-O 3.59Å; A869-Y872 PolarHBondContact N-O 2.8Å; A869-Y872 PolarHBondContact O-N 2.87Å; Y872-L884 HydrophobicContact CD1-CD1 4.21Å; Y872-L884 HydrophobicContact CD1-CD2 4.47Å; Y872-L884 HydrophobicContact CD1-CG 4.48Å; Y872-V885 WeakPolarHBondContact CA-O 3.45Å; Y872-R886 HydrophobicContact CD1-CB 4.01Å; Y872-R886 HydrophobicContact CD1-CG 4.01Å; Y872-R886 HydrophobicContact CE1-CB 4.04Å; Y872-R886 HydrophobicContact CE1-CG 3.66Å; Y872-L946 WeakPolarHBondContact O-CD1 3.18Å; Y872-Y1085 AromaticContact CD2-CD1 3.69Å; Y872-Y1085 HydrophobicContact CD2-CD1 3.69Å; Y872-Y1085 HydrophobicContact CD2-CD2 4.21Å; Y872-Y1085 HydrophobicContact CD2-CE1 4.1Å; Y872-Y1085 AromaticContact CD2-CG 3.73Å; Y872-Y1085 HydrophobicContact CD2-CG 3.73Å; Y872-Y1085 HydrophobicContact CE2-CD1 4.16Å; Y872-Y1085 AromaticContact CE2-CD2 3.82Å; Y872-Y1085 HydrophobicContact CE2-CD2 3.82Å; Y872-Y1085 HydrophobicContact CE2-CE2 4.24Å; Y872-Y1085 AromaticContact CE2-CG 3.77Å; Y872-Y1085 HydrophobicContact CE2-CG 3.77Å; Y872-L1101 HydrophobicContact CD2-CD1 4.46Å; Y872-L1101 HydrophobicContact CG-CB 4.48Å; Y872-L1101 HydrophobicContact CG-CD1 4.07Å; Y872-P1102 HydrophobicContact CE1-CB 3.98Å
873I94.1Very high91.2Very high2 Ų227.5 Ų27.51%0.0114%0.143CC..EExtended strand (participates in β ladder)trans-130.7133.7170.5-70.7169.2000108.9F778 L780 L836 S867 C868 L875 L884 V885F778-I873 HydrophobicContact CB-CD1 4.46Å; F778-I873 HydrophobicContact CD2-CD1 3.9Å; F778-I873 HydrophobicContact CG-CD1 4.47Å; L780-I873 HydrophobicContact CD1-CD1 3.92Å; L780-I873 HydrophobicContact CD2-CD1 4.06Å; L780-I873 HydrophobicContact CD2-CG1 4.38Å; L780-I873 HydrophobicContact CG-CD1 4.39Å; L836-I873 HydrophobicContact CB-CD1 4.44Å; L836-I873 HydrophobicContact CD2-CD1 3.42Å; L836-I873 VanDerWaalsContact CD2-CD1 3.42Å; S867-I873 CarbonylContact O-C 3.57Å; S867-I873 VanDerWaalsContact O-CA 3.3Å; S867-I873 WeakPolarHBondContact O-CA 3.48Å; C868-I873 HydrophobicContact CB-CD1 4.47Å; C868-I873 HydrophobicContact CB-CG1 3.81Å; C868-I873 VanDerWaalsContact SG-CG1 3.57Å; I873-L875 HydrophobicContact CG2-CD2 3.67Å; I873-L875 HydrophobicContact CG2-CG 4.08Å; I873-L884 CarbonylContact O-C 3.56Å; I873-V885 HydrophobicContact CB-CB 4.33Å; I873-V885 PolarHBondContact N-O 2.87Å; I873-V885 PolarHBondContact O-N 3.31Å
874L94.7Very high91.2Very high0 Ų027.2 Ų27.20%014%0.142CC..EExtended strand (participates in β ladder)trans-107.6133.8172.7-175.460.8000108.7A866 S867 L882 F944 L946 A1087 I1089 F1104A866-L874 WeakPolarHBondContact CA-O 3.45Å; S867-L874 PolarHBondContact N-O 3.05Å; S867-L874 PolarHBondContact O-N 2.77Å; L874-L882 HydrophobicContact CD1-CB 4.28Å; L874-L882 HydrophobicContact CD1-CD2 4.24Å; L874-L882 HydrophobicContact CG-CD2 4.36Å; L874-F944 HydrophobicContact CB-CD2 4.16Å; L874-F944 HydrophobicContact CB-CE2 3.87Å; L874-F944 HydrophobicContact CD2-CB 4.4Å; L874-F944 HydrophobicContact CD2-CD2 3.65Å; L874-F944 HydrophobicContact CD2-CE2 4.05Å; L874-F944 HydrophobicContact CD2-CG 4Å; L874-F944 HydrophobicContact CG-CD2 3.93Å; L874-F944 HydrophobicContact CG-CE2 3.77Å; L874-F944 HydrophobicContact CG-CZ 4.28Å; L874-F944 WeakPolarHBondContact O-CE2 3.29Å; L874-L946 HydrophobicContact CB-CD1 4.04Å; L874-L946 HydrophobicContact CB-CD2 3.82Å; L874-L946 HydrophobicContact CB-CG 4.01Å; L874-L946 HydrophobicContact CD2-CD2 4Å; L874-A1087 HydrophobicContact CD2-CB 4.12Å; L874-I1089 HydrophobicContact CD2-CD1 4.46Å; L874-F1104 HydrophobicContact CD1-CE2 4.32Å; L874-F1104 HydrophobicContact CD1-CZ 4.47Å
875L94.1Very high91.4Very high0 Ų022.9 Ų22.90%012%0.122CC..EExtended strand (participates in β ladder)trans-123.3149.3-178.9-54.7173000109.4V838 L843 V857 I863 L865 A866 I873 L882 F883 V885V838-L875 HydrophobicContact CG1-CD2 3.94Å; V838-L875 HydrophobicContact CG2-CD2 4.21Å; L843-L875 HydrophobicContact CD1-CD1 3.92Å; L843-L875 HydrophobicContact CD2-CD1 3.75Å; L843-L875 HydrophobicContact CG-CD1 4.36Å; V857-L875 HydrophobicContact CG2-CD1 4.35Å; I863-L875 HydrophobicContact CD1-CD1 4.25Å; I863-L875 HydrophobicContact CG2-CB 4.39Å; I863-L875 HydrophobicContact CG2-CD2 4.3Å; L865-L875 WeakPolarHBondContact O-CA 3.42Å; A866-L875 HydrophobicContact CB-CD2 3.66Å; I873-L875 HydrophobicContact CG2-CD2 3.67Å; I873-L875 HydrophobicContact CG2-CG 4.08Å; L875-L882 WeakPolarHBondContact O-CA 3.42Å; L875-F883 HydrophobicContact CB-CB 4.37Å; L875-F883 PolarHBondContact N-O 2.97Å; L875-F883 PolarHBondContact O-N 2.76Å; L875-V885 HydrophobicContact CD1-CG2 3.66Å; L875-V885 HydrophobicContact CG-CG2 4.32Å
876C92.8Very high91.4Very high3 Ų325.1 Ų25.12%0.0213%0.13CC..EExtended strand (participates in β ladder)trans-133.1140.8169-165.40000111.9I863 H864 L865 E881 L882 F944I863-C876 WeakPolarHBondContact CA-O 3.37Å; H864-C876 PolarHBondContact N-O 3.41Å; L865-C876 HydrophobicContact CB-CB 4.23Å; L865-C876 PolarHBondContact N-O 3.34Å; L865-C876 PolarHBondContact O-N 3.41Å; C876-E881 VanDerWaalsContact CA-O 3.31Å; C876-E881 WeakPolarHBondContact CA-O 3.41Å; C876-E881 PolarHBondContact SG-O 3.06Å; C876-E881 VanDerWaalsContact SG-O 3.35Å; C876-L882 HydrophobicContact CB-CD2 3.71Å; C876-F944 HydrophobicContact CB-CE1 3.6Å; C876-F944 HydrophobicContact CB-CZ 4.07Å
877T91.9Very high91.3Very high2 Ų225.1 Ų25.11%0.01213%0.129CC..EExtended strand (participates in β ladder)trans-93.9169.2177.3580000112.6T858 R862 I863 D879 D880 E881 F883T858-T877 HydrophobicContact CG2-CG2 4Å; R862-T877 CarbonylContact O-C 3.57Å; R862-T877 WeakPolarHBondContact O-CA 3.34Å; I863-T877 HydrophobicContact CG1-CG2 4.48Å; T877-D879 PolarHBondContact O-N 2.75Å; T877-D879 VanDerWaalsContact O-N 3.14Å; T877-D880 PolarHBondContact O-N 3.34Å; T877-E881 PolarHBondContact N-O 2.83Å; T877-E881 VanDerWaalsContact N-O 3.11Å; T877-E881 PolarHBondContact OG1-N 3.25Å; T877-F883 HydrophobicContact CG2-CD2 4.31Å; T877-F883 HydrophobicContact CG2-CE2 3.96Å
878E88.7Confident90.9Very high102 Ų10224.9 Ų24.948%0.47713%0.125SC..THydrogen-bonded Turntrans-62.8-7.9173.4-69.4166.9149.800114.8W861 R862W861-E878 HydrophobicContact CE3-CB 4.27Å; R862-E878 HydrophobicContact CB-CG 4.28Å; R862-E878 VanDerWaalsContact CB-OE2 3.25Å; R862-E878 WeakPolarHBondContact CB-OE2 3.4Å; R862-E878 WeakPolarHBondContact CG-OE2 3.16Å; R862-E878 PolarHBondContact N-OE2 2.9Å; R862-E878 PolarHBondContact O-N 2.87Å
879D88.5Confident90.2Very high75 Ų7524.4 Ų24.440%0.40112%0.123SC..THydrogen-bonded Turntrans-114.533179-165.235.2000111.2W861 T877 E881W861-D879 HydrophobicContact CB-CB 4.36Å; W861-D879 HydrophobicContact CD2-CB 3.65Å; W861-D879 VanDerWaalsContact CE2-CB 3.49Å; W861-D879 HydrophobicContact CE3-CB 4.42Å; W861-D879 HydrophobicContact CG-CB 3.58Å; W861-D879 HydrophobicContact CZ2-CB 4.13Å; W861-D879 VanDerWaalsContact NE1-CB 3.28Å; W861-D879 PolarHBondContact NE1-OD2 3.48Å; T877-D879 PolarHBondContact O-N 2.75Å; T877-D879 VanDerWaalsContact O-N 3.14Å; D879-E881 PolarHBondContact O-N 3.19Å
880D87.7Confident89.3Confident91 Ų9126.8 Ų26.849%0.48713%0.132SC..SBendtrans58.95.4174.3-63.6-39.5000116.8T877 A940T877-D880 PolarHBondContact O-N 3.34Å; D880-A940 HydrophobicContact CB-CB 4.29Å; D880-A940 VanDerWaalsContact OD1-CB 3.3Å; D880-A940 WeakPolarHBondContact OD1-CB 3.47Å; D880-A940 WeakPolarHBondContact OD2-CB 3.16Å
881E88.2Confident88.3Confident49 Ų4929.8 Ų29.823%0.22915%0.148CC..  trans-75.7137.6178-59.8-159159.600112.3C876 T877 D879 F883 R932C876-E881 VanDerWaalsContact CA-O 3.31Å; C876-E881 WeakPolarHBondContact CA-O 3.41Å; C876-E881 PolarHBondContact SG-O 3.06Å; C876-E881 VanDerWaalsContact SG-O 3.35Å; T877-E881 PolarHBondContact N-O 2.83Å; T877-E881 VanDerWaalsContact N-O 3.11Å; T877-E881 PolarHBondContact OG1-N 3.25Å; D879-E881 PolarHBondContact O-N 3.19Å; E881-F883 HydrophobicContact CB-CE2 3.85Å; E881-F883 HydrophobicContact CB-CZ 4.44Å; E881-F883 WeakPolarHBondContact OE2-CZ 3.3Å; E881-R932 IonicContact OE1-CZ 3.74Å; E881-R932 IonicContact OE1-NH1 2.96Å; E881-R932 PolarHBondContact OE1-NH1 3.36Å; E881-R932 IonicContact OE1-NH2 3.96Å; E881-R932 PolarHBondContact OE1-NH2 3.2Å; E881-R932 IonicContact OE2-CZ 2.77Å; E881-R932 IonicContact OE2-NE 3.51Å; E881-R932 IonicContact OE2-NH1 2.78Å; E881-R932 PolarHBondContact OE2-NH1 3.16Å; E881-R932 IonicContact OE2-NH2 2.69Å
882L91.1Very high87.4Confident13 Ų1331.7 Ų31.77%0.06816%0.158CC..EExtended strand (participates in β ladder)trans-102.9137.4175.7-69172.8000111.7L874 L875 C876 P933 V935 P941 F944 I1089L874-L882 HydrophobicContact CD1-CB 4.28Å; L874-L882 HydrophobicContact CD1-CD2 4.24Å; L874-L882 HydrophobicContact CG-CD2 4.36Å; L875-L882 WeakPolarHBondContact O-CA 3.42Å; C876-L882 HydrophobicContact CB-CD2 3.71Å; L882-P933 HydrophobicContact CB-CG 4.02Å; L882-P933 WeakPolarHBondContact O-CD 3.43Å; L882-V935 HydrophobicContact CD1-CG2 3.9Å; L882-P941 HydrophobicContact CD2-CG 4.31Å; L882-P941 HydrophobicContact CG-CG 4.38Å; L882-F944 HydrophobicContact CD2-CD1 4.39Å; L882-F944 HydrophobicContact CD2-CE1 4.16Å; L882-I1089 HydrophobicContact CD1-CD1 3.97Å
883F91.6Very high86.2Confident8 Ų831.8 Ų31.84%0.03516%0.159CC..EExtended strand (participates in β ladder)trans-126.9125.5173.8-64.1-93.4000110.3V857 T858 L875 T877 E881 L911 V930 R932V857-F883 HydrophobicContact CG1-CB 4.25Å; V857-F883 HydrophobicContact CG1-CD1 3.77Å; V857-F883 HydrophobicContact CG1-CD2 3.81Å; V857-F883 HydrophobicContact CG1-CE1 4.02Å; V857-F883 HydrophobicContact CG1-CE2 4.06Å; V857-F883 HydrophobicContact CG1-CG 3.67Å; V857-F883 HydrophobicContact CG1-CZ 4.16Å; T858-F883 HydrophobicContact CG2-CE2 4.4Å; T858-F883 HydrophobicContact CG2-CZ 4.37Å; L875-F883 HydrophobicContact CB-CB 4.37Å; L875-F883 PolarHBondContact N-O 2.97Å; L875-F883 PolarHBondContact O-N 2.76Å; T877-F883 HydrophobicContact CG2-CD2 4.31Å; T877-F883 HydrophobicContact CG2-CE2 3.96Å; E881-F883 HydrophobicContact CB-CE2 3.85Å; E881-F883 HydrophobicContact CB-CZ 4.44Å; E881-F883 WeakPolarHBondContact OE2-CZ 3.3Å; F883-L911 HydrophobicContact CD1-CD1 4.35Å; F883-L911 HydrophobicContact CE1-CD1 3.78Å; F883-V930 HydrophobicContact CD1-CG1 4.28Å; F883-R932 HydrophobicContact CD1-CB 4.45Å; F883-R932 HydrophobicContact CE1-CB 4.45Å; F883-R932 HydrophobicContact CE1-CG 4.39Å
884L91.8Very high84.8Confident0 Ų036.3 Ų36.30%018%0.183CC..EExtended strand (participates in β ladder)trans-98.1114.5174.8179.470.7000109.1Y872 I873 I931 P933 L1101 P1102 F1104Y872-L884 HydrophobicContact CD1-CD1 4.21Å; Y872-L884 HydrophobicContact CD1-CD2 4.47Å; Y872-L884 HydrophobicContact CD1-CG 4.48Å; I873-L884 CarbonylContact O-C 3.56Å; L884-I931 HydrophobicContact CB-CB 4.46Å; L884-I931 PolarHBondContact N-O 3.05Å; L884-I931 PolarHBondContact O-N 3.48Å; L884-P933 HydrophobicContact CB-CG 4.43Å; L884-L1101 HydrophobicContact CD1-CD1 4.02Å; L884-L1101 HydrophobicContact CD1-CD2 3.91Å; L884-L1101 HydrophobicContact CD2-CD2 3.99Å; L884-P1102 HydrophobicContact CD2-CB 4.47Å; L884-F1104 HydrophobicContact CD2-CD2 4.48Å
885V91.9Very high83Confident2 Ų244.7 Ų44.71%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-98.6142.4173.3-171.50000109.2L843 Y872 I873 L875 L928 E929 V930L843-V885 HydrophobicContact CD1-CG1 4.44Å; L843-V885 HydrophobicContact CD1-CG2 3.8Å; Y872-V885 WeakPolarHBondContact CA-O 3.45Å; I873-V885 HydrophobicContact CB-CB 4.33Å; I873-V885 PolarHBondContact N-O 2.87Å; I873-V885 PolarHBondContact O-N 3.31Å; L875-V885 HydrophobicContact CD1-CG2 3.66Å; L875-V885 HydrophobicContact CG-CG2 4.32Å; V885-L928 HydrophobicContact CG1-CB 4.34Å; V885-L928 HydrophobicContact CG1-CD1 4.32Å; V885-L928 HydrophobicContact CG1-CD2 4.21Å; V885-E929 CarbonylContact C-O 3.48Å; V885-E929 WeakPolarHBondContact CA-O 3.35Å; V885-V930 HydrophobicContact CG1-CG2 4.37Å; V885-V930 HydrophobicContact CG2-CG1 4.43Å; V885-V930 HydrophobicContact CG2-CG2 4.25Å
886R90.8Very high80.9Confident64 Ų6452 Ų5224%0.24225%0.247CC..EExtended strand (participates in β ladder)trans-134.4132.1179.8178.7-170.4179.8-149.9-0.9109.9P871 Y872 L928 E929P871-R886 WeakPolarHBondContact O-CA 3.33Å; Y872-R886 HydrophobicContact CD1-CB 4.01Å; Y872-R886 HydrophobicContact CD1-CG 4.01Å; Y872-R886 HydrophobicContact CE1-CB 4.04Å; Y872-R886 HydrophobicContact CE1-CG 3.66Å; R886-L928 WeakPolarHBondContact O-CA 3.34Å; R886-E929 HydrophobicContact CB-CB 4.37Å; R886-E929 IonicContact CZ-OE2 2.68Å; R886-E929 PolarHBondContact N-O 3.2Å; R886-E929 IonicContact NH1-OE2 3.5Å; R886-E929 PolarHBondContact NH1-OE2 3.08Å; R886-E929 PolarHBondContact O-N 3.25Å
887L89.8Confident78.5Confident1 Ų155.5 Ų55.51%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-75.2130.8164.7-176.764.8000109.4L780 Y784 Y834 L845 P871 H927 L928L780-L887 HydrophobicContact CB-CD2 3.78Å; L780-L887 HydrophobicContact CD1-CB 4.47Å; Y784-L887 HydrophobicContact CD2-CD2 4.37Å; Y784-L887 HydrophobicContact CE2-CD2 4.19Å; Y784-L887 HydrophobicContact CE2-CG 4.3Å; Y784-L887 PolarHBondContact OH-O 2.62Å; Y834-L887 HydrophobicContact CD2-CD2 3.77Å; Y834-L887 HydrophobicContact CE2-CD2 4.29Å; L845-L887 HydrophobicContact CD2-CD1 4.25Å; P871-L887 HydrophobicContact CB-CB 4.16Å; P871-L887 PolarHBondContact O-N 2.68Å; L887-H927 HydrophobicContact CD1-CB 4.23Å; L887-L928 HydrophobicContact CD1-CD2 4.12Å
888K86Confident75.9Confident15 Ų1561.1 Ų61.17%0.06531%0.308CS..PPolyproline II helixtrans-71.9152.3174.7-71177.3177.5-177.40111.2D892 I893 S924 T925 H927K888-D892 HydrophobicContact CB-CB 4.27Å; K888-I893 HydrophobicContact CB-CD1 4.28Å; K888-I893 HydrophobicContact CB-CG1 3.89Å; K888-S924 VanDerWaalsContact CE-OG 3.22Å; K888-S924 WeakPolarHBondContact CE-OG 3.41Å; K888-S924 PolarHBondContact NZ-OG 3.19Å; K888-T925 PolarHBondContact NZ-O 2.72Å; K888-H927 WeakPolarHBondContact CB-O 3.43Å; K888-H927 WeakPolarHBondContact CG-O 3.24Å; K888-H927 PolarHBondContact N-O 3.34Å
889S77.1Confident73.2Confident25 Ų2563.7 Ų63.718%0.17532%0.324CS..PPolyproline II helixtrans-64.5153.2170.976.10000110.5D891 D892 I893S889-D891 PolarHBondContact O-N 3.29Å; S889-D891 VanDerWaalsContact O-N 3.17Å; S889-D892 PolarHBondContact O-N 2.86Å; S889-D892 PolarHBondContact OG-N 2.95Å; S889-D892 VanDerWaalsContact OG-N 3.07Å; S889-D892 PolarHBondContact OG-OD2 3.24Å; S889-I893 WeakPolarHBondContact O-CG1 2.94Å; S889-I893 PolarHBondContact O-N 3.2Å
890Q71.8Confident70.4Confident61 Ų6168.8 Ų68.829%0.28534%0.342SS..Hα-helixtrans-58.5-30.8176.2-149.271.9-9.900111.6Y834 N894Y834-Q890 PolarHBondContact OH-NE2 3.19Å; Y834-Q890 PolarHBondContact OH-OE1 3.04Å; Q890-N894 VanDerWaalsContact O-CB 3.3Å; Q890-N894 WeakPolarHBondContact O-CB 3.12Å; Q890-N894 PolarHBondContact O-N 3.3Å; Q890-N894 PolarHBondContact O-ND2 2.84Å
891D68.6Low67.6Low88 Ų8873.7 Ų73.747%0.47136%0.359SS..Hα-helixtrans-66.6-43.3175.6-125.439.5000112.4S889 N894 R895S889-D891 PolarHBondContact O-N 3.29Å; S889-D891 VanDerWaalsContact O-N 3.17Å; D891-N894 PolarHBondContact O-N 2.85Å; D891-R895 WeakPolarHBondContact O-CB 3.4Å; D891-R895 WeakPolarHBondContact O-CD 3.4Å; D891-R895 WeakPolarHBondContact O-CG 3.5Å; D891-R895 PolarHBondContact O-N 3.03Å; D891-R895 IonicContact OD2-CZ 2.77Å; D891-R895 IonicContact OD2-NE 3.78Å; D891-R895 IonicContact OD2-NH2 3.68Å; D891-R895 PolarHBondContact OD2-NH2 2.92Å
892D69.8Low64.6Low46 Ų4676 Ų7625%0.24638%0.381CS..Hα-helixtrans-68.8-40.9175.3-64.4-52.3000111.5K888 S889 N894 R895 F896K888-D892 HydrophobicContact CB-CB 4.27Å; S889-D892 PolarHBondContact O-N 2.86Å; S889-D892 PolarHBondContact OG-N 2.95Å; S889-D892 VanDerWaalsContact OG-N 3.07Å; S889-D892 PolarHBondContact OG-OD2 3.24Å; D892-N894 VanDerWaalsContact C-N 3.34Å; D892-N894 PolarHBondContact O-N 3.03Å; D892-R895 PolarHBondContact O-N 2.92Å; D892-R895 IonicContact OD1-NH1 3.77Å; D892-F896 WeakPolarHBondContact O-CD2 3.47Å; D892-F896 PolarHBondContact O-N 3.01Å; D892-F896 VanDerWaalsContact O-N 3.11Å
893I69.1Low61.6Low20 Ų2082.7 Ų82.710%0.10342%0.417CS..Hα-helixtrans-57.9-48.2173.7-67.8159.2000110K888 S889 F896 S897 H927K888-I893 HydrophobicContact CB-CD1 4.28Å; K888-I893 HydrophobicContact CB-CG1 3.89Å; S889-I893 WeakPolarHBondContact O-CG1 2.94Å; S889-I893 PolarHBondContact O-N 3.2Å; I893-F896 PolarHBondContact O-N 3.3Å; I893-S897 PolarHBondContact O-N 2.54Å; I893-H927 HydrophobicContact CD1-CB 4.49Å; I893-H927 WeakPolarHBondContact CD1-ND1 3.3Å
894N65.2Low58.6Low97 Ų9790.1 Ų90.152%0.51946%0.457SS..Hα-helixtrans-61.8-44.8177.6-75.2-29.9000112.1Q890 D891 D892 F896 S897Q890-N894 VanDerWaalsContact O-CB 3.3Å; Q890-N894 WeakPolarHBondContact O-CB 3.12Å; Q890-N894 PolarHBondContact O-N 3.3Å; Q890-N894 PolarHBondContact O-ND2 2.84Å; D891-N894 PolarHBondContact O-N 2.85Å; D892-N894 VanDerWaalsContact C-N 3.34Å; D892-N894 PolarHBondContact O-N 3.03Å; N894-F896 VanDerWaalsContact C-N 3.27Å; N894-F896 PolarHBondContact O-N 3.31Å; N894-S897 WeakPolarHBondContact O-CB 3.46Å; N894-S897 PolarHBondContact O-N 2.9Å; N894-S897 PolarHBondContact O-OG 3.45Å
895R56.9Low55.8Low176 Ų17699 Ų9966%0.66450%0.496SS*.Hα-helixtrans-61.6-30.2178.8-75.1166.3-168.9-179.66.4113.8D891 D892D891-R895 WeakPolarHBondContact O-CB 3.4Å; D891-R895 WeakPolarHBondContact O-CD 3.4Å; D891-R895 WeakPolarHBondContact O-CG 3.5Å; D891-R895 PolarHBondContact O-N 3.03Å; D891-R895 IonicContact OD2-CZ 2.77Å; D891-R895 IonicContact OD2-NE 3.78Å; D891-R895 IonicContact OD2-NH2 3.68Å; D891-R895 PolarHBondContact OD2-NH2 2.92Å; D892-R895 PolarHBondContact O-N 2.92Å; D892-R895 IonicContact OD1-NH1 3.77Å
896F50.5Low53.1Low154 Ų154104.6 Ų104.668%0.67552%0.524SS*.Hα-helixtrans-95.10.6178.1-79.2-76.1000114.4D892 I893 N894 P898D892-F896 WeakPolarHBondContact O-CD2 3.47Å; D892-F896 PolarHBondContact O-N 3.01Å; D892-F896 VanDerWaalsContact O-N 3.11Å; I893-F896 PolarHBondContact O-N 3.3Å; N894-F896 VanDerWaalsContact C-N 3.27Å; N894-F896 PolarHBondContact O-N 3.31Å; F896-P898 WeakPolarHBondContact O-CD 3.46Å
897S41.5Very low50.8Low76 Ų76106.1 Ų106.153%0.53154%0.536SS..  trans-71.7118.7-179.369.60000112.9I893 N894I893-S897 PolarHBondContact O-N 2.54Å; N894-S897 WeakPolarHBondContact O-CB 3.46Å; N894-S897 PolarHBondContact O-N 2.9Å; N894-S897 PolarHBondContact O-OG 3.45Å
898P38.4Very low48.4Very low121 Ų121110.5 Ų110.579%0.78656%0.563SS**  trans-83.1134.4-177.932-33.5000112.1F896 K900F896-P898 WeakPolarHBondContact O-CD 3.46Å; P898-K900 PolarHBondContact O-N 2.84Å
899I31.4Very low46.4Very low156 Ų156110.9 Ų110.980%0.857%0.567SS**SBendtrans-67.4107.6-175.7-60.4174.3000111.6
900K29.8Very low44.8Very low182 Ų182112.7 Ų112.779%0.79158%0.577SS**  trans62.199.3159-62.3173.5177.3173.80117.9P898P898-K900 PolarHBondContact O-N 2.84Å
901K27.3Very low43.8Very low194 Ų194112.8 Ų112.884%0.84358%0.58SS**  166.2145.1103.6-94.1179.1178-178.30116.2
902S27.3Very low42.5Very low98 Ų98114 Ų11469%0.68559%0.585SS**  trans61122.7145.261.60000121.8
903N27.3Very low41Very low152 Ų152117 Ų11781%0.81360%0.601SS**  trans70.7127.5151.6-63.113.6000118.3K905N903-K905 PolarHBondContact O-N 3.3Å
904N29.3Very low39.6Very low164 Ų164125 Ų12588%0.87764%0.638SS**  trans-45.5105.2173.8-56.3-0.3000111.8
905K32.9Very low38.2Very low188 Ų188126.5 Ų126.582%0.81765%0.646SS**  trans-111.4117.9155.8-83.5-169.3169.9-170.20107.6N903 I907N903-K905 PolarHBondContact O-N 3.3Å; K905-I907 PolarHBondContact O-N 3.01Å
906I35.5Very low37.2Very low119 Ų119121.5 Ų121.561%0.6165%0.649SS**  trans-60.7120.3165.7-61.8167.1000106.3Y854 T908Y854-I906 HydrophobicContact CD1-CG2 4.39Å; Y854-I906 HydrophobicContact CG-CG2 4.47Å; I906-T908 VanDerWaalsContact C-N 3.34Å; I906-T908 HydrophobicContact CG2-CG2 4.25Å; I906-T908 PolarHBondContact O-N 3.41Å; I906-T908 VanDerWaalsContact O-N 3.11Å
907I41.5Very low36.6Very low95 Ų95122.1 Ų122.149%0.48766%0.659SS.*  trans-83.684.3178.2-56.3178.7000107.4Y854 K905 S909 T926Y854-I907 VanDerWaalsContact O-O 3.12Å; K905-I907 PolarHBondContact O-N 3.01Å; I907-S909 PolarHBondContact O-N 3.16Å; I907-T926 HydrophobicContact CD1-CG2 4.06Å
908T38.3Very low36.6Very low94 Ų94126.7 Ų126.758%0.57767%0.672SS**  trans-69.692.7169.441.90000109.8Y854 I906Y854-T908 HydrophobicContact CD1-CG2 4.19Å; Y854-T908 HydrophobicContact CE1-CG2 4.13Å; I906-T908 VanDerWaalsContact C-N 3.34Å; I906-T908 HydrophobicContact CG2-CG2 4.25Å; I906-T908 PolarHBondContact O-N 3.41Å; I906-T908 VanDerWaalsContact O-N 3.11Å
909S45.5Very low37Very low22 Ų22125.8 Ų125.815%0.15467%0.667CS.*EExtended strand (participates in β ladder)trans-84.6114161.146.10000109.2Q856 I907Q856-S909 PolarHBondContact N-O 2.88Å; I907-S909 PolarHBondContact O-N 3.16Å
910T43.3Very low37.8Very low63 Ų63120.8 Ų120.839%0.38765%0.649SS.*EExtended strand (participates in β ladder)trans-107.4137.7174.9460000110I912T910-I912 PolarHBondContact O-N 3.34Å
911L49.7Very low39Very low64 Ų64120.1 Ų120.134%0.33565%0.646SS.*SBendtrans-77.343.2-179.7-104.1167.4000114.1V857 F883 I923V857-L911 HydrophobicContact CG1-CD1 4.36Å; V857-L911 WeakPolarHBondContact O-CB 3.49Å; V857-L911 WeakPolarHBondContact O-CD1 3.46Å; F883-L911 HydrophobicContact CD1-CD1 4.35Å; F883-L911 HydrophobicContact CE1-CD1 3.78Å; L911-I923 HydrophobicContact CD2-CD1 3.77Å; L911-I923 HydrophobicContact CD2-CG1 4.13Å; L911-I923 HydrophobicContact CG-CD1 3.67Å; L911-I923 HydrophobicContact CG-CG1 4.4Å
912I42Very low40.8Very low112 Ų112114 Ų11457%0.57463%0.627SS**  trans-126.4123.4172.2-62.5-175.9000109L859 T910L859-I912 HydrophobicContact CD1-CD1 3.46Å; L859-I912 VanDerWaalsContact CD1-CD1 3.46Å; L859-I912 HydrophobicContact CD1-CG1 4.03Å; T910-I912 PolarHBondContact O-N 3.34Å
913D38.4Very low42.8Very low110 Ų110111 Ų11159%0.58860%0.604SS**  trans-92.4131.7166.3-156.2-25.7000107.9N915D913-N915 PolarHBondContact O-N 3.17Å
914E40.4Very low44.8Very low189 Ų189107.2 Ų107.288%0.88359%0.589SS**SBendtrans-72.25-175.9-71.3-165.8137.900113.5
915N35.7Very low47.1Very low127 Ų127100.2 Ų100.268%0.67955%0.552SS**SBendtrans-126.3103.9175-59.5-89.6000109.8D913 D917D913-N915 PolarHBondContact O-N 3.17Å; N915-D917 PolarHBondContact O-N 3.37Å
916G35.6Very low49.1Very low72 Ų7294.5 Ų94.574%0.74253%0.533SS*.THydrogen-bonded Turntrans-67.4123.2177.300000112.4
917D37.3Very low51.4Low166 Ų16690.2 Ų90.289%0.88851%0.51SS*.THydrogen-bonded Turntrans174.9-7.9142.8-97.3-9000113.3N915N915-D917 PolarHBondContact O-N 3.37Å
918Q40.8Very low53.6Low172 Ų17285.8 Ų85.880%0.80449%0.487SS*.  trans-137.9128.1170.7-64.7-168.624.200112.9
919P47.6Very low55.9Low103 Ų10383.1 Ų83.167%0.66947%0.469SS*.  trans-73.8131.1172.329.5-33.3000111.1K921P919-K921 PolarHBondContact O-N 2.64Å
920A48.4Very low57.9Low51 Ų5182.4 Ų82.442%0.42146%0.463SS..  trans-61.1124.9174.300000110.8S922A920-S922 VanDerWaalsContact C-N 3.34Å; A920-S922 PolarHBondContact O-N 2.85Å
921K55.9Low60Low167 Ų16781.4 Ų81.473%0.72646%0.455SS*.SBendtrans-71.4-27.2-173.9-68.9179.4-179.7172.80114P919 R932P919-K921 PolarHBondContact O-N 2.64Å; K921-R932 PolarHBondContact O-N 2.78Å; K921-R932 VanDerWaalsContact O-N 3.09Å
922S63.5Low61.7Low65 Ų6583.4 Ų83.446%0.45546%0.458SS..EExtended strand (participates in β ladder)trans-155.8151.2175.552.20000111.2A920 V930A920-S922 VanDerWaalsContact C-N 3.34Å; A920-S922 PolarHBondContact O-N 2.85Å; S922-V930 CarbonylContact C-O 3.54Å; S922-V930 WeakPolarHBondContact CA-O 3.34Å; S922-V930 WeakPolarHBondContact CB-O 3.16Å
923I69.8Low63.7Low37 Ų3779 Ų7919%0.1944%0.436CS..EExtended strand (participates in β ladder)trans-112.5125.5166.2-67.1-167.7000107.7L911 T925 V930L911-I923 HydrophobicContact CD2-CD1 3.77Å; L911-I923 HydrophobicContact CD2-CG1 4.13Å; L911-I923 HydrophobicContact CG-CD1 3.67Å; L911-I923 HydrophobicContact CG-CG1 4.4Å; I923-T925 HydrophobicContact CG2-CG2 3.85Å; I923-V930 PolarHBondContact N-O 2.76Å; I923-V930 PolarHBondContact O-N 3.5Å
924S69.2Low65.6Low71 Ų7182.3 Ų82.350%0.49745%0.446SS..EExtended strand (participates in β ladder)trans-107.9113175.6-146.90000108.7K888K888-S924 VanDerWaalsContact CE-OG 3.22Å; K888-S924 WeakPolarHBondContact CE-OG 3.41Å; K888-S924 PolarHBondContact NZ-OG 3.19Å
925T77.6Confident67.7Low18 Ų1875.5 Ų75.511%0.1142%0.417CS..  trans-97.6-163178.565.50000110.4E853 V855 K888 I923 L928E853-T925 VanDerWaalsContact CD-OG1 3.25Å; E853-T925 VanDerWaalsContact OE1-CB 3.29Å; E853-T925 WeakPolarHBondContact OE1-CB 3.46Å; E853-T925 PolarHBondContact OE1-OG1 3.01Å; E853-T925 PolarHBondContact OE2-OG1 3.16Å; E853-T925 VanDerWaalsContact OE2-OG1 3.06Å; V855-T925 HydrophobicContact CG2-CG2 4.11Å; K888-T925 PolarHBondContact NZ-O 2.72Å; I923-T925 HydrophobicContact CG2-CG2 3.85Å; T925-L928 WeakPolarHBondContact CA-O 3.46Å; T925-L928 PolarHBondContact N-O 2.85Å; T925-L928 WeakPolarHBondContact OG1-CA 3.48Å; T925-L928 WeakPolarHBondContact OG1-CB 3.32Å; T925-L928 PolarHBondContact OG1-N 2.99Å; T925-L928 PolarHBondContact OG1-O 3.47Å
926T76.1Confident69.7Low67 Ų6777.9 Ų77.941%0.41142%0.421SS..SBendtrans-76.3-45.6-176.159.70000112.5E853 I907E853-T926 WeakPolarHBondContact OE1-CA 3.38Å; E853-T926 WeakPolarHBondContact OE1-CB 3.38Å; E853-T926 PolarHBondContact OE1-N 3.42Å; E853-T926 PolarHBondContact OE1-OG1 3.17Å; I907-T926 HydrophobicContact CD1-CG2 4.06Å
927H82.9Confident71.9Confident30 Ų3076.8 Ų76.814%0.13940%0.397CS..SBendtrans-107.7-33.8176-64.3-95.3000112.5L845 E853 L887 K888 I893L845-H927 HydrophobicContact CD2-CB 3.46Å; L845-H927 VanDerWaalsContact CD2-CB 3.46Å; E853-H927 WeakPolarHBondContact OE2-CA 3.36Å; E853-H927 WeakPolarHBondContact OE2-CB 3.23Å; E853-H927 PolarHBondContact OE2-N 3.24Å; L887-H927 HydrophobicContact CD1-CB 4.23Å; K888-H927 WeakPolarHBondContact CB-O 3.43Å; K888-H927 WeakPolarHBondContact CG-O 3.24Å; K888-H927 PolarHBondContact N-O 3.34Å; I893-H927 HydrophobicContact CD1-CB 4.49Å; I893-H927 WeakPolarHBondContact CD1-ND1 3.3Å
928L87Confident74Confident1 Ų175.6 Ų75.61%0.00540%0.395CS..EExtended strand (participates in β ladder)trans-99.5148.1-177.8-58.3178.2000113.7L836 L845 E853 V855 V885 R886 L887 T925L836-L928 HydrophobicContact CD1-CD1 3.85Å; L845-L928 HydrophobicContact CB-CD1 4.42Å; L845-L928 HydrophobicContact CD1-CD2 4.4Å; L845-L928 HydrophobicContact CD2-CD2 4.34Å; L845-L928 HydrophobicContact CD2-CG 4.36Å; E853-L928 PolarHBondContact OE2-N 3.41Å; V855-L928 HydrophobicContact CG2-CD1 4.19Å; V885-L928 HydrophobicContact CG1-CB 4.34Å; V885-L928 HydrophobicContact CG1-CD1 4.32Å; V885-L928 HydrophobicContact CG1-CD2 4.21Å; R886-L928 WeakPolarHBondContact O-CA 3.34Å; L887-L928 HydrophobicContact CD1-CD2 4.12Å; T925-L928 WeakPolarHBondContact CA-O 3.46Å; T925-L928 PolarHBondContact N-O 2.85Å; T925-L928 WeakPolarHBondContact OG1-CA 3.48Å; T925-L928 WeakPolarHBondContact OG1-CB 3.32Å; T925-L928 PolarHBondContact OG1-N 2.99Å; T925-L928 PolarHBondContact OG1-O 3.47Å
929E88.1Confident76.2Confident39 Ų3969.2 Ų69.218%0.18237%0.37CS..EExtended strand (participates in β ladder)trans-120.9121167.5171.3167-115.100108.7V885 R886 I931V885-E929 CarbonylContact C-O 3.48Å; V885-E929 WeakPolarHBondContact CA-O 3.35Å; R886-E929 HydrophobicContact CB-CB 4.37Å; R886-E929 IonicContact CZ-OE2 2.68Å; R886-E929 PolarHBondContact N-O 3.2Å; R886-E929 IonicContact NH1-OE2 3.5Å; R886-E929 PolarHBondContact NH1-OE2 3.08Å; R886-E929 PolarHBondContact O-N 3.25Å; E929-I931 HydrophobicContact CG-CD1 4.16Å; E929-I931 HydrophobicContact CG-CG1 3.97Å
930V86.2Confident78.2Confident6 Ų665.2 Ų65.24%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-107.9122.6178.9-174.70000108.6V855 F883 V885 S922 I923V855-V930 HydrophobicContact CG1-CG2 4.15Å; F883-V930 HydrophobicContact CD1-CG1 4.28Å; V885-V930 HydrophobicContact CG1-CG2 4.37Å; V885-V930 HydrophobicContact CG2-CG1 4.43Å; V885-V930 HydrophobicContact CG2-CG2 4.25Å; S922-V930 CarbonylContact C-O 3.54Å; S922-V930 WeakPolarHBondContact CA-O 3.34Å; S922-V930 WeakPolarHBondContact CB-O 3.16Å; I923-V930 PolarHBondContact N-O 2.76Å; I923-V930 PolarHBondContact O-N 3.5Å
931I87.7Confident80.3Confident42 Ų4263.5 Ų63.522%0.21533%0.33CS..EExtended strand (participates in β ladder)trans-120.3137.5-177.5-57.1172000107.9L884 E929 P933L884-I931 HydrophobicContact CB-CB 4.46Å; L884-I931 PolarHBondContact N-O 3.05Å; L884-I931 PolarHBondContact O-N 3.48Å; E929-I931 HydrophobicContact CG-CD1 4.16Å; E929-I931 HydrophobicContact CG-CG1 3.97Å; I931-P933 WeakPolarHBondContact O-CD 3.45Å
932R84.9Confident81.9Confident106 Ų10658.9 Ų58.940%0.431%0.313SS..  trans-96.195.4171.9-175172.9160.2162.40.1110.1E881 F883 K921E881-R932 IonicContact OE1-CZ 3.74Å; E881-R932 IonicContact OE1-NH1 2.96Å; E881-R932 PolarHBondContact OE1-NH1 3.36Å; E881-R932 IonicContact OE1-NH2 3.96Å; E881-R932 PolarHBondContact OE1-NH2 3.2Å; E881-R932 IonicContact OE2-CZ 2.77Å; E881-R932 IonicContact OE2-NE 3.51Å; E881-R932 IonicContact OE2-NH1 2.78Å; E881-R932 PolarHBondContact OE2-NH1 3.16Å; E881-R932 IonicContact OE2-NH2 2.69Å; F883-R932 HydrophobicContact CD1-CB 4.45Å; F883-R932 HydrophobicContact CE1-CB 4.45Å; F883-R932 HydrophobicContact CE1-CG 4.39Å; K921-R932 PolarHBondContact O-N 2.78Å; K921-R932 VanDerWaalsContact O-N 3.09Å
933P84.3Confident83.3Confident19 Ų1956.2 Ų56.212%0.12329%0.294CS..  trans-60.3156.2178.724.9-36.4000112.9L882 L884 I931 F1104L882-P933 HydrophobicContact CB-CG 4.02Å; L882-P933 WeakPolarHBondContact O-CD 3.43Å; L884-P933 HydrophobicContact CB-CG 4.43Å; I931-P933 WeakPolarHBondContact O-CD 3.45Å; P933-F1104 HydrophobicContact CB-CB 4.05Å; P933-F1104 HydrophobicContact CB-CD1 3.75Å; P933-F1104 HydrophobicContact CB-CD2 3.47Å; P933-F1104 VanDerWaalsContact CB-CD2 3.47Å; P933-F1104 HydrophobicContact CB-CE1 4Å; P933-F1104 HydrophobicContact CB-CE2 3.73Å; P933-F1104 HydrophobicContact CB-CG 3.47Å; P933-F1104 VanDerWaalsContact CB-CG 3.47Å; P933-F1104 HydrophobicContact CB-CZ 3.97Å; P933-F1104 HydrophobicContact CG-CD2 4.12Å; P933-F1104 HydrophobicContact CG-CE1 4.5Å; P933-F1104 HydrophobicContact CG-CE2 3.89Å; P933-F1104 HydrophobicContact CG-CZ 4.08Å
934K79.3Confident84.5Confident181 Ų18155.3 Ų55.379%0.78729%0.289SS*.  trans-112.9102.7174.7-71-157171.6-152.70111.1
935V83.5Confident85.7Confident45 Ų4552.1 Ų52.127%0.27327%0.266SS..  trans-77.7150.6169.6169.30000109.9L882 Q937 F1091 F1104L882-V935 HydrophobicContact CD1-CG2 3.9Å; V935-Q937 HydrophobicContact CG1-CB 3.63Å; V935-F1091 HydrophobicContact CG1-CE1 3.9Å; V935-F1091 HydrophobicContact CG1-CZ 3.67Å; V935-F1104 HydrophobicContact CG2-CD1 4.45Å; V935-F1104 HydrophobicContact CG2-CE1 3.81Å
936K77.5Confident86.5Confident177 Ų17751.6 Ų51.677%0.7726%0.263SS*.  trans-91.6-24175.2-74.5-176.4178.3177.40113.8
937Q82.1Confident87.4Confident49 Ų4948.9 Ų48.923%0.22925%0.245CC..  trans-63.8140.9-179.2-162.354.3-100.500110.9V935 F1091 N1093 E1097V935-Q937 HydrophobicContact CG1-CB 3.63Å; Q937-F1091 HydrophobicContact CB-CD1 4.12Å; Q937-F1091 HydrophobicContact CB-CD2 4.33Å; Q937-F1091 HydrophobicContact CB-CE1 3.94Å; Q937-F1091 HydrophobicContact CB-CE2 4.16Å; Q937-F1091 HydrophobicContact CB-CG 4.31Å; Q937-F1091 HydrophobicContact CB-CZ 3.96Å; Q937-F1091 HydrophobicContact CG-CB 4.1Å; Q937-F1091 HydrophobicContact CG-CD1 3.8Å; Q937-F1091 HydrophobicContact CG-CD2 3.86Å; Q937-F1091 HydrophobicContact CG-CE1 4.14Å; Q937-F1091 HydrophobicContact CG-CE2 4.2Å; Q937-F1091 HydrophobicContact CG-CG 3.64Å; Q937-F1091 HydrophobicContact CG-CZ 4.33Å; Q937-N1093 VanDerWaalsContact CD-ND2 3.31Å; Q937-N1093 PolarHBondContact OE1-ND2 3.21Å; Q937-E1097 PolarHBondContact NE2-OE1 2.94Å
938V81.5Confident87.8Confident142 Ų14248.4 Ų48.486%0.86124%0.243SC*.  trans-91.9-21.6178.9-1780000111.4
939S87.4Confident87.9Confident38 Ų3848.3 Ų48.327%0.26624%0.242SC..SBendtrans-82.3145.8178.3-54.20000112.2F1091 N1093S939-F1091 WeakPolarHBondContact O-CD1 3.28Å; S939-N1093 WeakPolarHBondContact OG-CB 3.46Å; S939-N1093 PolarHBondContact OG-ND2 2.74Å; S939-N1093 VanDerWaalsContact OG-ND2 3.14Å
940A89.9Confident87.7Confident19 Ų1951.8 Ų51.816%0.15726%0.258CS..  trans-53.6142.7176.300000114.2D880 L942 F1091 T1092D880-A940 HydrophobicContact CB-CB 4.29Å; D880-A940 VanDerWaalsContact OD1-CB 3.3Å; D880-A940 WeakPolarHBondContact OD1-CB 3.47Å; D880-A940 WeakPolarHBondContact OD2-CB 3.16Å; A940-L942 PolarHBondContact O-N 2.8Å; A940-F1091 CarbonylContact O-C 3.57Å; A940-F1091 VanDerWaalsContact O-CA 3.28Å; A940-F1091 WeakPolarHBondContact O-CA 3.5Å; A940-T1092 HydrophobicContact CB-CG2 3.81Å; A940-T1092 PolarHBondContact N-OG1 3.32Å; A940-T1092 PolarHBondContact O-N 3.32Å; A940-T1092 PolarHBondContact O-OG1 3.01Å
941P91.8Very high87.5Confident14 Ų1453.4 Ų53.49%0.09127%0.27CS..EExtended strand (participates in β ladder)trans-75.2113.7172.331.9-32000110.7L882 I1089 F1091L882-P941 HydrophobicContact CD2-CG 4.31Å; L882-P941 HydrophobicContact CG-CG 4.38Å; P941-I1089 HydrophobicContact CB-CG2 4Å; P941-F1091 HydrophobicContact CB-CD1 4.16Å; P941-F1091 HydrophobicContact CB-CE1 4.06Å
942L90Very high87.1Confident71 Ų7152.4 Ų52.437%0.37227%0.27SS..EExtended strand (participates in β ladder)trans-79.2-43.4-176.6177.761.9000112.7A940 V1090 T1092A940-L942 PolarHBondContact O-N 2.8Å; L942-V1090 WeakPolarHBondContact CB-O 3.34Å; L942-V1090 HydrophobicContact CD2-CG1 4.48Å; L942-V1090 PolarHBondContact N-O 2.92Å; L942-T1092 HydrophobicContact CB-CG2 4.11Å; L942-T1092 HydrophobicContact CD1-CG2 4.38Å
943C92.3Very high86.9Confident8 Ų849.7 Ų49.75%0.05426%0.26CS..EExtended strand (participates in β ladder)trans-162.2156.2173.859.70000110.9V1090C943-V1090 PolarHBondContact N-O 2.92Å; C943-V1090 PolarHBondContact O-N 3.47Å
944F94.6Very high86.9Confident19 Ų1948.8 Ų48.88%0.08325%0.254CS..EExtended strand (participates in β ladder)trans-146.7153.5-179.355.3-92.6000113L865 L874 C876 L882 F1088 I1089L865-F944 HydrophobicContact CB-CE1 3.53Å; L865-F944 HydrophobicContact CB-CZ 3.54Å; L865-F944 HydrophobicContact CD1-CD1 4.17Å; L865-F944 HydrophobicContact CD1-CE1 3.7Å; L865-F944 HydrophobicContact CG-CE1 4.27Å; L874-F944 HydrophobicContact CB-CD2 4.16Å; L874-F944 HydrophobicContact CB-CE2 3.87Å; L874-F944 HydrophobicContact CD2-CB 4.4Å; L874-F944 HydrophobicContact CD2-CD2 3.65Å; L874-F944 HydrophobicContact CD2-CE2 4.05Å; L874-F944 HydrophobicContact CD2-CG 4Å; L874-F944 HydrophobicContact CG-CD2 3.93Å; L874-F944 HydrophobicContact CG-CE2 3.77Å; L874-F944 HydrophobicContact CG-CZ 4.28Å; L874-F944 WeakPolarHBondContact O-CE2 3.29Å; C876-F944 HydrophobicContact CB-CE1 3.6Å; C876-F944 HydrophobicContact CB-CZ 4.07Å; L882-F944 HydrophobicContact CD2-CD1 4.39Å; L882-F944 HydrophobicContact CD2-CE1 4.16Å; F944-F1088 CarbonylContact C-O 3.59Å; F944-F1088 WeakPolarHBondContact CA-O 3.32Å; F944-F1088 WeakPolarHBondContact CB-O 3.45Å; F944-I1089 HydrophobicContact CB-CB 4.43Å; F944-I1089 HydrophobicContact CB-CG1 4.08Å; F944-I1089 HydrophobicContact CB-CG2 4.43Å
945S94.4Very high87.2Confident3 Ų340.5 Ų40.52%0.02122%0.218CC..EExtended strand (participates in β ladder)trans-129.1129.8171.8-175.70000109F1088 V1158S945-F1088 PolarHBondContact N-O 2.77Å; S945-F1088 PolarHBondContact O-N 2.9Å; S945-V1158 PolarHBondContact OG-N 3.43Å
946L95.1Very high87Confident8 Ų844.7 Ų44.74%0.04223%0.229CC..EExtended strand (participates in β ladder)trans-77.1157.5159.1-62.5-164.5000110.6S867 A869 Y872 L874 F1086 A1087 L1101S867-L946 WeakPolarHBondContact O-CD1 3.11Å; S867-L946 PolarHBondContact OG-N 2.83Å; A869-L946 HydrophobicContact CB-CB 3.58Å; A869-L946 HydrophobicContact CB-CD1 4.33Å; Y872-L946 WeakPolarHBondContact O-CD1 3.18Å; L874-L946 HydrophobicContact CB-CD1 4.04Å; L874-L946 HydrophobicContact CB-CD2 3.82Å; L874-L946 HydrophobicContact CB-CG 4.01Å; L874-L946 HydrophobicContact CD2-CD2 4Å; L946-F1086 CarbonylContact C-O 3.58Å; L946-F1086 WeakPolarHBondContact CA-O 2.9Å; L946-A1087 HydrophobicContact CD2-CB 3.47Å; L946-A1087 VanDerWaalsContact CD2-CB 3.47Å; L946-L1101 HydrophobicContact CD1-CD1 4.2Å; L946-L1101 HydrophobicContact CD2-CD1 3.9Å
947Y94.4Very high87.1Confident10 Ų1037 Ų374%0.03920%0.195CC..EExtended strand (participates in β ladder)trans-149.3136176.4178.9-108000110.7D949 L954 F1086 V1158 P1160 P1168Y947-D949 HydrophobicContact CD1-CB 4.37Å; Y947-D949 HydrophobicContact CE1-CB 3.72Å; Y947-L954 HydrophobicContact CD1-CD2 3.89Å; Y947-L954 HydrophobicContact CE1-CD2 3.74Å; Y947-F1086 HydrophobicContact CD1-CD2 4.28Å; Y947-F1086 PolarHBondContact N-O 3.31Å; Y947-F1086 PolarHBondContact O-N 2.93Å; Y947-V1158 HydrophobicContact CD1-CG1 4.32Å; Y947-V1158 HydrophobicContact CD2-CB 3.84Å; Y947-V1158 HydrophobicContact CD2-CG1 3.53Å; Y947-V1158 HydrophobicContact CE2-CG1 3.9Å; Y947-V1158 HydrophobicContact CG-CB 4.08Å; Y947-V1158 HydrophobicContact CG-CG1 3.78Å; Y947-P1160 HydrophobicContact CE2-CB 4.49Å; Y947-P1160 HydrophobicContact CE2-CG 4.45Å; Y947-P1168 HydrophobicContact CE1-CB 4.26Å; Y947-P1168 HydrophobicContact CE2-CB 4.44Å
948H91.8Very high87.2Confident19 Ų1934.7 Ų34.79%0.08819%0.185CC..EExtended strand (participates in β ladder)trans-107.1116.7169.5177.6-152.4000110.1E783 A869 H950 Y1085E783-H948 IonicContact OE1-CE1 3.17Å; E783-H948 PolarHBondContact OE1-CE1 2.74Å; E783-H948 IonicContact OE1-NE2 3.83Å; A869-H948 HydrophobicContact CB-CB 4.45Å; H948-H950 VanDerWaalsContact C-N 3.33Å; H948-H950 AromaticContact CE1-CD2 3.87Å; H948-H950 AromaticContact CG-CE1 3.8Å; H948-H950 AromaticContact CG-ND1 3.83Å; H948-H950 AromaticContact ND1-CD2 3.67Å; H948-H950 AromaticContact ND1-CE1 3.33Å; H948-H950 PolarHBondContact ND1-CE1 3.41Å; H948-H950 VanDerWaalsContact ND1-CE1 3.33Å; H948-H950 AromaticContact ND1-CG 3.8Å; H948-H950 AromaticContact ND1-ND1 3.58Å; H948-H950 AromaticContact ND1-NE2 3.39Å; H948-H950 PolarHBondContact ND1-NE2 2.96Å; H948-H950 PolarHBondContact O-N 2.91Å; H948-H950 PolarHBondContact O-ND1 3.29Å; H948-Y1085 HydrophobicContact CB-CD1 4.02Å; H948-Y1085 HydrophobicContact CB-CE1 3.65Å; H948-Y1085 AromaticContact CD2-CE1 3.71Å; H948-Y1085 AromaticContact CD2-CE2 3.91Å; H948-Y1085 AromaticContact CD2-CZ 3.57Å; H948-Y1085 AromaticContact CG-CE1 3.56Å; H948-Y1085 AromaticContact CG-CZ 3.74Å; H948-Y1085 AromaticContact NE2-CZ 3.86Å
949D89.7Confident87.1Confident0 Ų029.7 Ų29.70%015%0.151CC..  trans-81.976.1175.2-175.125.8000112.3Y947 S951 G952 R953 L954 T955 K1084 F1086Y947-D949 HydrophobicContact CD1-CB 4.37Å; Y947-D949 HydrophobicContact CE1-CB 3.72Å; D949-S951 PolarHBondContact O-N 2.85Å; D949-S951 PolarHBondContact OD1-N 3.24Å; D949-S951 PolarHBondContact OD1-OG 2.98Å; D949-G952 PolarHBondContact O-N 3.47Å; D949-G952 PolarHBondContact OD1-N 2.93Å; D949-G952 WeakPolarHBondContact OD2-CA 2.83Å; D949-G952 PolarHBondContact OD2-N 3.01Å; D949-R953 PolarHBondContact OD2-N 2.89Å; D949-L954 HydrophobicContact CB-CB 4.42Å; D949-L954 WeakPolarHBondContact OD2-CA 2.87Å; D949-L954 WeakPolarHBondContact OD2-CB 3.3Å; D949-L954 PolarHBondContact OD2-N 3.12Å; D949-T955 PolarHBondContact OD2-N 3.29Å; D949-T955 PolarHBondContact OD2-OG1 3.29Å; D949-K1084 PolarHBondContact N-O 3.08Å; D949-F1086 HydrophobicContact CB-CD2 4.43Å; D949-F1086 HydrophobicContact CB-CE2 3.99Å
950H83.3Confident86.3Confident111 Ų11131.6 Ų31.651%0.51417%0.168SC..THydrogen-bonded Turntrans-50.3-31.2173.9-61.975.9000112.5H948H948-H950 VanDerWaalsContact C-N 3.33Å; H948-H950 AromaticContact CE1-CD2 3.87Å; H948-H950 AromaticContact CG-CE1 3.8Å; H948-H950 AromaticContact CG-ND1 3.83Å; H948-H950 AromaticContact ND1-CD2 3.67Å; H948-H950 AromaticContact ND1-CE1 3.33Å; H948-H950 PolarHBondContact ND1-CE1 3.41Å; H948-H950 VanDerWaalsContact ND1-CE1 3.33Å; H948-H950 AromaticContact ND1-CG 3.8Å; H948-H950 AromaticContact ND1-ND1 3.58Å; H948-H950 AromaticContact ND1-NE2 3.39Å; H948-H950 PolarHBondContact ND1-NE2 2.96Å; H948-H950 PolarHBondContact O-N 2.91Å; H948-H950 PolarHBondContact O-ND1 3.29Å
951S82Confident85Confident41 Ų4131.7 Ų31.729%0.28717%0.167SC..THydrogen-bonded Turntrans-80.6-15.6-178.779.70000114.8D949 R953D949-S951 PolarHBondContact O-N 2.85Å; D949-S951 PolarHBondContact OD1-N 3.24Å; D949-S951 PolarHBondContact OD1-OG 2.98Å; S951-R953 PolarHBondContact O-N 2.85Å; S951-R953 VanDerWaalsContact OG-CB 3.24Å; S951-R953 WeakPolarHBondContact OG-CB 3.26Å; S951-R953 PolarHBondContact OG-N 2.81Å
952G80.2Confident83.6Confident21 Ų2134.7 Ų34.722%0.21618%0.179CC..SBendtrans63.8-2.3-170.300000115.5D949 T955 R956D949-G952 PolarHBondContact O-N 3.47Å; D949-G952 PolarHBondContact OD1-N 2.93Å; D949-G952 WeakPolarHBondContact OD2-CA 2.83Å; D949-G952 PolarHBondContact OD2-N 3.01Å; G952-T955 WeakPolarHBondContact O-CB 3.43Å; G952-T955 PolarHBondContact O-N 2.91Å; G952-R956 PolarHBondContact O-N 2.91Å
953R79.2Confident81.6Confident48 Ų4838.4 Ų38.418%0.18120%0.2CC..Hα-helixtrans-74.4-46.3-171.2-156.7-169.1-173.2175.93.3112.1D949 S951 T955 R956 W957 D1166 E1190D949-R953 PolarHBondContact OD2-N 2.89Å; S951-R953 PolarHBondContact O-N 2.85Å; S951-R953 VanDerWaalsContact OG-CB 3.24Å; S951-R953 WeakPolarHBondContact OG-CB 3.26Å; S951-R953 PolarHBondContact OG-N 2.81Å; R953-T955 VanDerWaalsContact C-N 3.27Å; R953-T955 PolarHBondContact O-N 2.93Å; R953-R956 PolarHBondContact O-N 2.86Å; R953-W957 HydrophobicContact CG-CD2 4.44Å; R953-W957 HydrophobicContact CG-CH2 3.98Å; R953-W957 HydrophobicContact CG-CZ2 3.51Å; R953-W957 VanDerWaalsContact NE-CZ2 3.34Å; R953-W957 VanDerWaalsContact O-CD1 3.32Å; R953-W957 PolarHBondContact O-N 2.95Å; R953-W957 VanDerWaalsContact O-N 3.16Å; R953-D1166 WeakPolarHBondContact CD-O 3.49Å; R953-D1166 IonicContact CZ-OD2 3.99Å; R953-D1166 PolarHBondContact NH1-O 2.82Å; R953-D1166 IonicContact NH1-OD1 3.38Å; R953-D1166 IonicContact NH1-OD2 2.63Å; R953-D1166 PolarHBondContact NH1-OD2 3.08Å; R953-E1190 IonicContact CZ-OE1 2.99Å; R953-E1190 IonicContact CZ-OE2 2.93Å; R953-E1190 IonicContact NE-OE1 2.67Å; R953-E1190 IonicContact NE-OE2 2.77Å; R953-E1190 VanDerWaalsContact NH2-CD 3.28Å; R953-E1190 IonicContact NH2-OE1 2.63Å; R953-E1190 PolarHBondContact NH2-OE1 2.89Å; R953-E1190 IonicContact NH2-OE2 3.31Å; R953-E1190 PolarHBondContact NH2-OE2 3.44Å
954L85.4Confident79.3Confident0 Ų043 Ų430%022%0.223CC..Hα-helixtrans-66.2-33.2173.9-179.965.2000111.3Y947 D949 W957 L958 F1086 F1088 P1168 L1204 W1206Y947-L954 HydrophobicContact CD1-CD2 3.89Å; Y947-L954 HydrophobicContact CE1-CD2 3.74Å; D949-L954 HydrophobicContact CB-CB 4.42Å; D949-L954 WeakPolarHBondContact OD2-CA 2.87Å; D949-L954 WeakPolarHBondContact OD2-CB 3.3Å; D949-L954 PolarHBondContact OD2-N 3.12Å; L954-W957 HydrophobicContact CB-CE3 4.36Å; L954-W957 HydrophobicContact CD1-CE3 4.06Å; L954-W957 PolarHBondContact O-N 3.19Å; L954-L958 HydrophobicContact CD1-CD1 4.07Å; L954-L958 HydrophobicContact CD1-CG 4.05Å; L954-L958 HydrophobicContact CD2-CD1 4.27Å; L954-L958 HydrophobicContact CG-CD1 3.82Å; L954-L958 HydrophobicContact CG-CG 4.24Å; L954-L958 WeakPolarHBondContact O-CB 3.3Å; L954-L958 PolarHBondContact O-N 3.18Å; L954-F1086 HydrophobicContact CD2-CD2 4.34Å; L954-F1088 HydrophobicContact CD2-CZ 4.27Å; L954-P1168 HydrophobicContact CB-CG 4.14Å; L954-P1168 HydrophobicContact CD2-CG 4.09Å; L954-P1168 HydrophobicContact CG-CG 4.47Å; L954-L1204 HydrophobicContact CD1-CD1 4.3Å; L954-L1204 HydrophobicContact CD1-CD2 3.8Å; L954-W1206 HydrophobicContact CD1-CH2 4.37Å; L954-W1206 HydrophobicContact CD1-CZ2 4.08Å; L954-W1206 HydrophobicContact CD2-CH2 4.39Å
955T85.4Confident76.6Confident7 Ų747 Ų474%0.04325%0.251CS..Hα-helixtrans-58.3-54.2174.1-55.90000110.9D949 G952 R953 W957 L958 W959 L1082 S1083 K1084 F1086D949-T955 PolarHBondContact OD2-N 3.29Å; D949-T955 PolarHBondContact OD2-OG1 3.29Å; G952-T955 WeakPolarHBondContact O-CB 3.43Å; G952-T955 PolarHBondContact O-N 2.91Å; R953-T955 VanDerWaalsContact C-N 3.27Å; R953-T955 PolarHBondContact O-N 2.93Å; T955-W957 PolarHBondContact O-N 3.3Å; T955-L958 PolarHBondContact O-N 2.63Å; T955-W959 WeakPolarHBondContact O-CB 3.16Å; T955-W959 VanDerWaalsContact O-CD1 3.32Å; T955-W959 PolarHBondContact O-N 3.39Å; T955-W959 VanDerWaalsContact O-N 3.07Å; T955-L1082 HydrophobicContact CG2-CB 4.01Å; T955-S1083 WeakPolarHBondContact CG2-O 3.25Å; T955-K1084 HydrophobicContact CG2-CG 4.5Å; T955-K1084 WeakPolarHBondContact OG1-CA 3.33Å; T955-F1086 HydrophobicContact CG2-CZ 4.34Å; T955-F1086 WeakPolarHBondContact OG1-CE2 3.27Å
956R78.9Confident73.9Confident134 Ų13451.7 Ų51.751%0.50629%0.29SS..Hα-helixtrans-57.1-36.9176.1-169.5168.9177.3166.9-2.2111.9G952 R953 A960G952-R956 PolarHBondContact O-N 2.91Å; R953-R956 PolarHBondContact O-N 2.86Å; R956-A960 VanDerWaalsContact O-CB 3.23Å; R956-A960 WeakPolarHBondContact O-CB 3.41Å; R956-A960 PolarHBondContact O-N 3.37Å
957W80.8Confident70.8Confident14 Ų1459 Ų595%0.05333%0.329CS..Hα-helixtrans-72.9-45.2179.6-59.2-23.1000114.6R953 L954 T955 A1183 C1185 L1204R953-W957 HydrophobicContact CG-CD2 4.44Å; R953-W957 HydrophobicContact CG-CH2 3.98Å; R953-W957 HydrophobicContact CG-CZ2 3.51Å; R953-W957 VanDerWaalsContact NE-CZ2 3.34Å; R953-W957 VanDerWaalsContact O-CD1 3.32Å; R953-W957 PolarHBondContact O-N 2.95Å; R953-W957 VanDerWaalsContact O-N 3.16Å; L954-W957 HydrophobicContact CB-CE3 4.36Å; L954-W957 HydrophobicContact CD1-CE3 4.06Å; L954-W957 PolarHBondContact O-N 3.19Å; T955-W957 PolarHBondContact O-N 3.3Å; W957-A1183 HydrophobicContact CE3-CB 4.44Å; W957-A1183 HydrophobicContact CZ3-CB 3.88Å; W957-C1185 HydrophobicContact CB-CB 3.82Å; W957-C1185 HydrophobicContact CD2-CB 3.32Å; W957-C1185 HydrophobicContact CE3-CB 3.84Å; W957-C1185 HydrophobicContact CG-CB 3.32Å; W957-C1185 HydrophobicContact CZ2-CB 4.18Å; W957-C1185 HydrophobicContact CZ3-CB 4.47Å; W957-L1204 HydrophobicContact CB-CB 4.47Å; W957-L1204 HydrophobicContact CB-CD1 4.42Å; W957-L1204 HydrophobicContact CE3-CD1 3.93Å
958L82.3Confident67.6Low1 Ų162.1 Ų62.11%0.00535%0.352CS..Hα-helixtrans-69.8-43.7-179.5-76.5170.5000111.7L954 T955 C961 F1086 I1098 L1107 Y1108 L1204L954-L958 HydrophobicContact CD1-CD1 4.07Å; L954-L958 HydrophobicContact CD1-CG 4.05Å; L954-L958 HydrophobicContact CD2-CD1 4.27Å; L954-L958 HydrophobicContact CG-CD1 3.82Å; L954-L958 HydrophobicContact CG-CG 4.24Å; L954-L958 WeakPolarHBondContact O-CB 3.3Å; L954-L958 PolarHBondContact O-N 3.18Å; T955-L958 PolarHBondContact O-N 2.63Å; L958-C961 PolarHBondContact O-N 2.9Å; L958-F1086 HydrophobicContact CB-CE1 4.47Å; L958-F1086 HydrophobicContact CD1-CD1 3.58Å; L958-F1086 HydrophobicContact CD1-CD2 4.33Å; L958-F1086 HydrophobicContact CD1-CE1 3.57Å; L958-F1086 HydrophobicContact CD1-CE2 4.3Å; L958-F1086 HydrophobicContact CD1-CG 3.99Å; L958-F1086 HydrophobicContact CD1-CZ 3.95Å; L958-I1098 HydrophobicContact CD1-CG2 4.09Å; L958-I1098 HydrophobicContact CD2-CD1 4.44Å; L958-L1107 HydrophobicContact CB-CB 4.3Å; L958-L1107 HydrophobicContact CB-CD1 3.84Å; L958-L1107 HydrophobicContact CD2-CB 4.23Å; L958-Y1108 HydrophobicContact CD2-CD2 4.17Å; L958-Y1108 HydrophobicContact CD2-CG 4.49Å; L958-L1204 HydrophobicContact CD2-CD2 3.48Å; L958-L1204 VanDerWaalsContact CD2-CD2 3.48Å; L958-L1204 HydrophobicContact CG-CD2 3.92Å
959W81Confident64.4Low38 Ų3867 Ų6714%0.14439%0.388CS..Hα-helixtrans-72.8-31.3-177.8-7791.7000113.3T955 C961 K962 L1082 S1083 L1107T955-W959 WeakPolarHBondContact O-CB 3.16Å; T955-W959 VanDerWaalsContact O-CD1 3.32Å; T955-W959 PolarHBondContact O-N 3.39Å; T955-W959 VanDerWaalsContact O-N 3.07Å; W959-C961 PolarHBondContact O-N 2.95Å; W959-K962 HydrophobicContact CE3-CD 3.61Å; W959-K962 VanDerWaalsContact CH2-NZ 3.31Å; W959-K962 HydrophobicContact CZ3-CD 3.63Å; W959-K962 VanDerWaalsContact O-CB 3.28Å; W959-K962 WeakPolarHBondContact O-CB 3.49Å; W959-K962 PolarHBondContact O-N 2.95Å; W959-K962 VanDerWaalsContact O-N 3.09Å; W959-L1082 HydrophobicContact CB-CD1 4.4Å; W959-L1082 HydrophobicContact CB-CD2 4.12Å; W959-L1082 HydrophobicContact CD2-CD2 3.74Å; W959-L1082 HydrophobicContact CE3-CD2 3.72Å; W959-L1082 HydrophobicContact CG-CD2 3.91Å; W959-L1082 HydrophobicContact CZ3-CD2 4.32Å; W959-S1083 PolarHBondContact NE1-O 2.76Å; W959-L1107 HydrophobicContact CD2-CD1 4.28Å; W959-L1107 HydrophobicContact CG-CD1 4.31Å
960A70.5Confident61.4Low77 Ų7776.4 Ų76.464%0.63643%0.43SS*.THydrogen-bonded Turntrans-59.4-16.3173.500000114.1R956R956-A960 VanDerWaalsContact O-CB 3.23Å; R956-A960 WeakPolarHBondContact O-CB 3.41Å; R956-A960 PolarHBondContact O-N 3.37Å
961C62.2Low58.8Low21 Ų2177.2 Ų77.214%0.14243%0.432CS..THydrogen-bonded Turntrans-92.212.7178-61.40000114L958 W959 R1124L958-C961 PolarHBondContact O-N 2.9Å; W959-C961 PolarHBondContact O-N 2.95Å; C961-R1124 PolarHBondContact O-NH2 2.88Å
962K61.5Low56Low77 Ų7782.6 Ų82.634%0.33546%0.457SS..SBendtrans-97.8-31.1-171.9-162.2165.2-179.1164.10115.2W959 L964 T1105 L1107W959-K962 HydrophobicContact CE3-CD 3.61Å; W959-K962 VanDerWaalsContact CH2-NZ 3.31Å; W959-K962 HydrophobicContact CZ3-CD 3.63Å; W959-K962 VanDerWaalsContact O-CB 3.28Å; W959-K962 WeakPolarHBondContact O-CB 3.49Å; W959-K962 PolarHBondContact O-N 2.95Å; W959-K962 VanDerWaalsContact O-N 3.09Å; K962-L964 PolarHBondContact O-N 2.88Å; K962-T1105 PolarHBondContact NZ-OG1 3.05Å; K962-L1107 HydrophobicContact CD-CD2 3.95Å
963D49.2Very low53.4Low150 Ų15089.2 Ų89.280%0.80249%0.487SS*.SBendtrans-93.625.7-166.4-61.6-40.5000115.6
964L43.8Very low50.8Low104 Ų10494.9 Ų94.955%0.54552%0.515SS..  trans-105.7127-179.8-79.3152.9000111.2K962K962-L964 PolarHBondContact O-N 2.88Å
965P38.4Very low47.8Very low104 Ų104100.7 Ų100.768%0.67555%0.551SS**  trans-71.3142.9-17829.2-34.9000112.1D967P965-D967 VanDerWaalsContact C-N 3.27Å; P965-D967 PolarHBondContact O-N 3.41Å
966A37.8Very low44.9Very low101 Ų101106.7 Ų106.784%0.83559%0.588SS**SBendtrans-70.1-16.3-173.800000115S968A966-S968 PolarHBondContact O-N 2.91Å
967D28.5Very low42.4Very low160 Ų160104.3 Ų104.386%0.85660%0.597SS**  trans-89.883.3-174.8-67.9-45.9000112.5P965P965-D967 VanDerWaalsContact C-N 3.27Å; P965-D967 PolarHBondContact O-N 3.41Å
968S28.3Very low39.7Very low76 Ų76108.9 Ų108.953%0.53163%0.631SS.*  trans-14480.7167.9540000113.6A966 F970A966-S968 PolarHBondContact O-N 2.91Å; S968-F970 PolarHBondContact O-N 2.54Å
969S25.2Very low36.9Very low121 Ų121117.1 Ų117.185%0.84667%0.674SS**  trans-74.658.6-17950.10000114.5
970F25Very low34.1Very low198 Ų198122.7 Ų122.787%0.86871%0.706SS**  trans-132.649.9178.5-88-79.4000113.8S968S968-F970 PolarHBondContact O-N 2.54Å
971F29.1Very low32Very low129 Ų129125.9 Ų125.957%0.56671%0.708SS**  trans-92.696.3165.7-87.9-79.4000111.1Y1200F971-Y1200 HydrophobicContact CE1-CE1 4.45Å; F971-Y1200 VanDerWaalsContact CE2-OH 3.26Å; F971-Y1200 WeakPolarHBondContact CE2-OH 3.49Å; F971-Y1200 AromaticContact CZ-CE1 3.72Å; F971-Y1200 HydrophobicContact CZ-CE1 3.72Å; F971-Y1200 HydrophobicContact CZ-CE2 4.23Å; F971-Y1200 AromaticContact CZ-CZ 3.44Å; F971-Y1200 VanDerWaalsContact CZ-CZ 3.44Å; F971-Y1200 WeakPolarHBondContact CZ-OH 3.43Å
972N23.8Very low30.2Very low153 Ų153132.8 Ų132.882%0.81874%0.742SS**  trans-15781165.6-115.2-27.9000111
973L24.6Very low28.5Very low160 Ų160135.7 Ų135.784%0.83877%0.766SS**  trans-150.1113.3170.6-111.1155.2000108.1T975L973-T975 PolarHBondContact O-N 3.36Å
974H24.4Very low27.4Very low168 Ų168133.7 Ų133.778%0.77876%0.764SS**  trans-64.5121.9-175.1-81.2-93.1000111.5T976H974-T976 HydrophobicContact CB-CG2 4.43Å; H974-T976 PolarHBondContact O-N 2.73Å; H974-T976 VanDerWaalsContact O-N 3.08Å
975T24.2Very low26.5Very low122 Ų122133.9 Ų133.975%0.74877%0.773SS**  trans-70.796.6158.4-10.70000107.6L973 A977L973-T975 PolarHBondContact O-N 3.36Å; T975-A977 VanDerWaalsContact C-N 3.26Å; T975-A977 PolarHBondContact O-N 1.8Å
976T24.3Very low26.1Very low133 Ų133135.3 Ų135.382%0.81678%0.782SS**  trans-74.580.5176.744.80000110.6H974 S978H974-T976 HydrophobicContact CB-CG2 4.43Å; H974-T976 PolarHBondContact O-N 2.73Å; H974-T976 VanDerWaalsContact O-N 3.08Å; T976-S978 PolarHBondContact O-N 3.15Å
977A25Very low25.5Very low84 Ų84133.6 Ų133.669%0.69477%0.774SS**  trans-62.1125.9162.700000109.6T975T975-A977 VanDerWaalsContact C-N 3.26Å; T975-A977 PolarHBondContact O-N 1.8Å
978S24.7Very low25.3Very low110 Ų110132 Ų13277%0.76977%0.771SS**  trans23.3105.3157.956.80000118.4T976T976-S978 PolarHBondContact O-N 3.15Å
979L23.1Very low25.2Very low174 Ų174134.9 Ų134.991%0.91179%0.785SS**  trans-132.144.1160.4-155.283.5000113
980D23.4Very low25.3Very low154 Ų154134.3 Ų134.382%0.82478%0.781SS**  trans-94.486.9167.9-91.7-47.2000110.7
981H25.8Very low25.3Very low145 Ų145135.4 Ų135.467%0.67178%0.78SS**  trans179100.7144-91.5-41.6000111.4H1750H981-H1750 AromaticContact CD2-CE1 3.85Å; H981-H1750 AromaticContact CD2-NE2 3.31Å; H981-H1750 PolarHBondContact CD2-NE2 3.02Å; H981-H1750 VanDerWaalsContact CD2-NE2 3.31Å; H981-H1750 AromaticContact NE2-CD2 3.84Å; H981-H1750 AromaticContact NE2-CE1 3.9Å; H981-H1750 AromaticContact NE2-NE2 2.92Å; H981-H1750 PolarHBondContact NE2-NE2 2.95Å
982L24.5Very low25.2Very low165 Ų165135.2 Ų135.286%0.86479%0.791SS**  trans178.8101.4138.6-101.5163.5000110.5
983V26.3Very low25.3Very low138 Ų138135.2 Ų135.284%0.83679%0.787SS**  trans-134.6106.9163.2-179.40000109.3
984S25.6Very low25.6Very low108 Ų108133.1 Ų133.176%0.75578%0.783SS**  trans-134.996.3165.258.70000109
985C24.7Very low25.7Very low108 Ų108128.2 Ų128.273%0.7378%0.778SS**  trans-59.9159.6170.7-57.30000110.9
986P29.5Very low25.7Very low134 Ų134127.9 Ų127.987%0.8778%0.781SS**  cis-146.3-177.936.642-21.7000118
987G26.5Very low25.9Very low65 Ų65128.5 Ų128.567%0.6778%0.784SS**  trans108.794.1169.600000113.8
988T23.4Very low25.8Very low127 Ų127130.9 Ų130.978%0.77979%0.79SS**  76.9125.569.2-47.60000114.2
989T26.4Very low26.3Very low136 Ų136131 Ų13183%0.83479%0.789SS**  trans68.7145-176.467.40000116.5
990S27.3Very low26.4Very low110 Ų110127.1 Ų127.177%0.76978%0.782SS**  cis-162.5152.1-15.6450000111.8
991W24Very low26.4Very low220 Ų220124.1 Ų124.183%0.83378%0.778SS**  trans-67.4156.5170.4-76.876.2000112
992P28.6Very low26.5Very low125 Ų125124.4 Ų124.481%0.81279%0.785SS**  -153165.468.443.5-23.2000120.2
993E26Very low26.5Very low153 Ų153122.4 Ų122.472%0.71578%0.779SS**  trans-76.5-175.3157.7-91.4-173.6-164.900111.4
994P29.8Very low26.4Very low116 Ų116123.6 Ų123.675%0.75378%0.779SS**  cis-151.9-179.723.645.2-24.1000120.2
995G26.1Very low26.4Very low66 Ų66122.5 Ų122.568%0.6878%0.776SS**  trans85.5131.914500000118.3
996S24.9Very low26.9Very low115 Ų115122.2 Ų122.280%0.80477%0.774SS**  cis97.71131585.90000117.7
997T27.9Very low26.6Very low146 Ų146125.3 Ų125.390%0.89677%0.773SS**  trans-157.4161.8154.215.10000111.7
998T24Very low26.5Very low133 Ų133125.9 Ų125.982%0.81677%0.772SS**  trans-147.1-165.8-161.254.40000110.3
999P34.6Very low26.6Very low114 Ų114125.6 Ų125.674%0.7478%0.775SS**  cis-131.9-166.6-37.128.7-5.5000114
1000A24.3Very low27.1Very low92 Ų92124.5 Ų124.576%0.7677%0.771SS**  trans72.2128.3157.300000118.6
1001A25.3Very low26.9Very low91 Ų91125.6 Ų125.675%0.75277%0.773SS**  74.2128.462.300000112.9
1002D26.6Very low27Very low151 Ų151121.9 Ų121.981%0.80777%0.765SS**  cis-143.2152.832.1-91.7-42.3000117.3
1003T24.8Very low26.7Very low122 Ų122124.3 Ų124.375%0.74876%0.763SS**  trans38.9143.1143.3-31.20000125.4
1004I24.9Very low26.8Very low164 Ų164123.1 Ų123.184%0.84177%0.771SS**  trans105.2137.5160.4-53-176.1000116.4
1005A24Very low26.6Very low84 Ų84122.1 Ų122.169%0.69477%0.773SS**  trans-114.8-157.7-167.800000111.2
1006P35.5Very low27.1Very low103 Ų103124.3 Ų124.367%0.66978%0.775SS**  cis-140.1-168.9-3.527.30.5000116.2
1007F23.6Very low27.3Very low198 Ų198127.1 Ų127.187%0.86878%0.78SS**  trans69.3156.5171.1-65.8-95000118.3
1008A24.2Very low27.4Very low77 Ų77126.9 Ų126.964%0.63677%0.772SS**  cis-174169.3-32.300000112
1009S25.6Very low27.9Very low121 Ų121124.7 Ų124.785%0.84676%0.762SS**  trans86.3152.8157.776.70000120.5
1010P36.5Very low27.7Very low114 Ų114124 Ų12474%0.7477%0.766SS**  trans-128.6-174.6-163.744.5-29.2000114.7
1011T24.3Very low28.4Very low133 Ų133124.3 Ų124.382%0.81676%0.762SS**  trans-171.4144.5137.223.70000116.7
1012E25.4Very low28.8Very low141 Ų141125.9 Ų125.966%0.65975%0.754SS**  trans55.1117141.1-61.2-159.7125.900126.7
1013K23.3Very low29.3Very low177 Ų177125.7 Ų125.777%0.7775%0.748SS**  58.4121.4120.1-60.9171.4179.5162.40122.2
1014S27.3Very low29.9Very low127 Ų127128.1 Ų128.189%0.88875%0.751SS**  -160.9166.3119.7400000110.7
1015A26.2Very low30.5Very low96 Ų96124.5 Ų124.579%0.79374%0.741SS**  trans-151.8-173.6-175.800000108.6
1016P36.5Very low31.4Very low112 Ų112126.4 Ų126.473%0.72774%0.738SS**  cis-122.7-171.5-26.240-26.1000111.1
1017L29.2Very low31.5Very low174 Ų174128.6 Ų128.691%0.91174%0.743SS**  trans-159.7129.5148.4-116.6157.5000110.3
1018I29.4Very low32.2Very low140 Ų140125.7 Ų125.772%0.71874%0.736SS**  trans-113.9144-178.6-63.4170.5000108.3
1019S34.8Very low32.9Very low87 Ų87130.7 Ų130.761%0.60874%0.739SS**  trans-94.8135.6176.945.80000111.8S1021S1019-S1021 VanDerWaalsContact C-N 3.32Å; S1019-S1021 PolarHBondContact O-N 3.21Å
1020A31.1Very low33.2Very low100 Ų100128.3 Ų128.383%0.82673%0.734SS**SBendtrans-79.767.1-16900000114.2
1021S38.3Very low32.9Very low98 Ų98131.5 Ų131.569%0.68574%0.739SS**SBendtrans-128.84.4173.355.80000114.1S1019S1019-S1021 VanDerWaalsContact C-N 3.32Å; S1019-S1021 PolarHBondContact O-N 3.21Å
1022E33.1Very low33.3Very low125 Ų125131.1 Ų131.158%0.58474%0.739SS**SBendtrans-115.3-8.3-171.8-62.3-179.8147.500113.6I1026E1022-I1026 WeakPolarHBondContact O-CD1 3.48Å
1023E37.6Very low33.5Very low147 Ų147131.3 Ų131.369%0.68774%0.743SS**Hα-helixtrans-77.6-27.9-174-67.5-171.5128.800114.6
1024E36.9Very low33.5Very low173 Ų173132 Ų13281%0.80875%0.749SS**Hα-helixtrans-73-33.1-177.3-66.5-165.8139.800113.1I1026 L1027E1024-I1026 VanDerWaalsContact C-N 3.29Å; E1024-I1026 PolarHBondContact O-N 3.07Å; E1024-L1027 PolarHBondContact O-N 2.97Å
1025S38Very low33.5Very low88 Ų88132.8 Ų132.862%0.61574%0.741SS**Hα-helixtrans-68.3-27.5178.8-57.90000113.4
1026I41.9Very low33.5Very low123 Ų123134.2 Ų134.263%0.63174%0.744SS**Hα-helixtrans-84.4-14.4-173.9-61.2173.2000111.6E1022 E1024E1022-I1026 WeakPolarHBondContact O-CD1 3.48Å; E1024-I1026 VanDerWaalsContact C-N 3.29Å; E1024-I1026 PolarHBondContact O-N 3.07Å
1027L38.2Very low33Very low149 Ų149138.5 Ų138.578%0.7875%0.751SS**THydrogen-bonded Turntrans-91.3-12.5-177.5-78.3166.4000115E1024E1024-L1027 PolarHBondContact O-N 2.97Å
1028L39.5Very low33Very low137 Ų137140.4 Ų140.472%0.71775%0.746SS**THydrogen-bonded Turntrans-101.4-26.4172.6-86.581.9000113.7
1029Y37.2Very low32.8Very low183 Ų183141.5 Ų141.572%0.71875%0.748SS**SBendtrans-129.1119.5-175.5-57.9-79.9000110.3
1030G32.6Very low32.4Very low71 Ų71141 Ų14173%0.73276%0.757SS**  trans-71.3171.4-175.600000114.9
1031E30.7Very low32.1Very low181 Ų181141.9 Ų141.985%0.84676%0.757SS**  trans-46.5126.3-170.2-60.5176.6120.900115.6I1033E1031-I1033 PolarHBondContact O-N 2.89Å
1032P32Very low31.6Very low124 Ų124144.2 Ų144.281%0.80577%0.767SS**  trans-79.4113.8162.831.2-31000110.4E1034P1032-E1034 PolarHBondContact O-N 2.94Å
1033I29.4Very low31.3Very low145 Ų145142.2 Ų142.274%0.74477%0.772SS**  trans-75.6119.9-178-64.5172.9000111.4E1031 I1035E1031-I1033 PolarHBondContact O-N 2.89Å; I1033-I1035 HydrophobicContact CG2-CD1 4.3Å; I1033-I1035 HydrophobicContact CG2-CG1 4.07Å; I1033-I1035 PolarHBondContact O-N 3.03Å
1034E24.7Very low30.8Very low192 Ų192142.2 Ų142.290%0.89778%0.776SS**  trans-74.299.6171.5-72.9-162.7120.800112.8P1032P1032-E1034 PolarHBondContact O-N 2.94Å
1035I26.9Very low30.3Very low143 Ų143137.5 Ų137.573%0.73377%0.774SS**  trans-142.1105.1157.8-50.5176.6000111.3I1033I1033-I1035 HydrophobicContact CG2-CD1 4.3Å; I1033-I1035 HydrophobicContact CG2-CG1 4.07Å; I1033-I1035 PolarHBondContact O-N 3.03Å
1036C26.5Very low29.6Very low126 Ų126140.2 Ų140.285%0.85178%0.781SS**  trans160.293.1133.9-930000113.1
1037K25.2Very low28.9Very low202 Ų202140.1 Ų140.188%0.87879%0.792SS**  trans-140.7127.3156.4-97-179.3179.4168.60109.4
1038R28.3Very low28.2Very low214 Ų214139.5 Ų139.581%0.80879%0.794SS**  trans66.2155.1170.2-63-173.8152.8140.23.6115.9
1039E25.5Very low27.7Very low163 Ų163141.2 Ų141.276%0.76280%0.803SS**  cis-156.8168-18.2-115.6158.1-154.800108.6
1040G27Very low27.1Very low77 Ų77141.1 Ų141.179%0.79481%0.809SS**  trans-168.273.3-179.600000115.1
1041S24.5Very low26.6Very low118 Ų118145.8 Ų145.883%0.82582%0.816SS**  trans-109129.1175.9-670000112
1042V28.6Very low26.4Very low147 Ų147142.3 Ų142.389%0.89181%0.81SS**  trans-138.9130.9166.9179.10000109.1
1043A26.5Very low25.8Very low83 Ų83146.2 Ų146.269%0.68681%0.814SS**  trans-92.1178.1175.700000110.2
1044L26.1Very low25.6Very low148 Ų148148.4 Ų148.478%0.77582%0.819SS**  cis-163.6148.122.3-162.2143.3000109.2N1046L1044-N1046 WeakPolarHBondContact CD2-OD1 3.46Å
1045G27.3Very low25.4Very low74 Ų74144.4 Ų144.476%0.76381%0.811SS**  trans-166.6109.2175.200000112.2
1046N23.3Very low25.3Very low144 Ų144145.9 Ų145.977%0.7782%0.82SS**  trans-86135-168.3-64.7-20000113.5L1044L1044-N1046 WeakPolarHBondContact CD2-OD1 3.46Å
1047S27.6Very low25.1Very low122 Ų122144.8 Ų144.885%0.85381%0.814SS**  trans-140.8149.4139.564.10000109.4
1048T22.9Very low25Very low136 Ų136141.9 Ų141.983%0.83481%0.813SS**  trans-103.7133.8-164.748.90000113.1
1049L28.4Very low24.7Very low172 Ų172138.3 Ų138.390%0.90182%0.815SS**  trans-152.1156.4145-105.6169.4000109.3
1050Q25.6Very low24.5Very low182 Ų182134.4 Ų134.485%0.8581%0.806SS**  trans-105.4137.6-165.7-62.6167.2-70.900112.2
1051L22.5Very low24.3Very low168 Ų168140.9 Ų140.988%0.8881%0.808SS**PPolyproline II helixtrans-95.2129.4153.7-86.284.4000109.3
1052P25.1Very low24.1Very low108 Ų108139.8 Ų139.870%0.70180%0.8SS**PPolyproline II helixtrans-76.8135.6171.631.4-32.6000110.8
1053K20.2Very low23.8Very low206 Ų206137.9 Ų137.990%0.89679%0.794SS**PPolyproline II helixtrans-86.9132.3164.2-64.6178.2179.4-179.90108.6
1054F24.1Very low23.8Very low192 Ų192142.4 Ų142.484%0.84281%0.806SS**  trans-118.1115.8162-92.5-79.8000110.8
1055S22.1Very low23.5Very low107 Ų107142 Ų14275%0.74880%0.804SS**PPolyproline II helixtrans-94.9122.6170.451.70000109.3S1057S1055-S1057 PolarHBondContact O-N 3.32Å
1056L25Very low23.3Very low174 Ų174145.2 Ų145.291%0.91180%0.804SS**PPolyproline II helixtrans-76.3118.6172-105.871.9000110.8
1057S21.7Very low23.1Very low103 Ų103143.6 Ų143.672%0.7280%0.804SS**PPolyproline II helixtrans-95.4136.8166.154.50000110.4S1055S1055-S1057 PolarHBondContact O-N 3.32Å
1058T21.8Very low22.9Very low141 Ų141145.7 Ų145.787%0.86580%0.804SS**PPolyproline II helixtrans-76.412618050.70000113.2
1059T23Very low22.9Very low139 Ų139144.6 Ų144.685%0.85380%0.798SS**  trans-148156158.76.30000110.7
1060S21.2Very low22.7Very low82 Ų82145.8 Ų145.857%0.57380%0.799SS**  trans-99.2152.2-17351.50000113.2
1061Y23Very low22.5Very low212 Ų212142.2 Ų142.283%0.83179%0.79SS**  173.5137.3109.7-95.1-67.1000114.9
1062S21.2Very low22.6Very low95 Ų95141.7 Ų141.766%0.66479%0.788SS**  trans22.2116148.2600000123.2
1063S21.7Very low22.6Very low108 Ų108143.4 Ų143.476%0.75579%0.79SS**  47.3122.8127.366.10000122.6
1064L25.2Very low22.8Very low178 Ų178142.4 Ų142.493%0.93279%0.791SS**  trans-154.3160.5136.9-113.7160.2000109.7
1065N21.1Very low23.1Very low139 Ų139139.3 Ų139.374%0.74378%0.783SS**  trans-108.9160.2-165.9-90.96.4000114.4
1066N21.7Very low23.4Very low142 Ų142140.5 Ų140.576%0.75978%0.781SS**  trans80.1150.1152.5-71.64.4000120.8
1067S20Very low23.5Very low109 Ų109140.6 Ų140.676%0.76278%0.782SS**  trans53.8100.4168.157.80000117.5
1068L23.5Very low24.3Very low166 Ų166139.9 Ų139.987%0.86978%0.782SS**  -159.2159.6115-105.7159.9000110.9
1069T22.6Very low25.2Very low113 Ų113139.4 Ų139.469%0.69377%0.77SS**  trans-76.7120.6175.9450000110.4T1071T1069-T1071 VanDerWaalsContact C-N 3.32Å; T1069-T1071 PolarHBondContact O-N 2.94Å
1070E23.9Very low26.2Very low198 Ų198141.9 Ų141.993%0.92577%0.772SS**  trans-77.284.5169.5-71.7-173.9147.700110.3
1071T22.6Very low28.1Very low107 Ų107147.5 Ų147.566%0.65679%0.786SS**  trans-73130.3155.749.40000109.1T1069 L1073T1069-T1071 VanDerWaalsContact C-N 3.32Å; T1069-T1071 PolarHBondContact O-N 2.94Å; T1071-L1073 PolarHBondContact O-N 2.96Å
1072N24.3Very low30.6Very low157 Ų157141.3 Ų141.384%0.8477%0.767SS**SBendtrans-41.9117.8176.2-54.4-17.2000112.3
1073L24.8Very low33.5Very low143 Ų143137.9 Ų137.975%0.74974%0.743SS**  trans-162.323.6171.2-115.7171.5000115.1T1071T1071-L1073 PolarHBondContact O-N 2.96Å
1074M25Very low36.7Very low186 Ų186137.2 Ų137.292%0.91673%0.726SS**SBendtrans-150.272.9169-84.8-149.5162.300113
1075D29.3Very low39.9Very low126 Ų126129.6 Ų129.667%0.67469%0.685SS**SBendtrans-150.1-27.5157.7-103.1-35.1000112.2L1077D1075-L1077 PolarHBondContact O-N 3.1Å
1076D28Very low43.4Very low133 Ų133123 Ų12371%0.71165%0.65SS**THydrogen-bonded Turntrans-62.715.8-170.9-53.2-68.2000118.2
1077L29Very low46.9Very low176 Ų176116.2 Ų116.292%0.92161%0.614SS**THydrogen-bonded Turntrans-131.512.4-172.4-73.3174000115.5D1075D1075-L1077 PolarHBondContact O-N 3.1Å
1078A37.4Very low50.5Low88 Ų88111 Ų11173%0.72758%0.577SS**SBendtrans-133.5-20-179.500000116.7
1079E40.5Very low53.9Low130 Ų130103.1 Ų103.161%0.60754%0.536SS*.  trans-83.6-15.8-168.6-63.7-148.4132.600116K1081 L1082E1079-K1081 PolarHBondContact O-N 3.46Å; E1079-L1082 PolarHBondContact O-N 2.68Å
1080E43.5Very low57.4Low192 Ų19297.8 Ų97.890%0.89750%0.503SS*.THydrogen-bonded Turntrans-59.11.1-162.8-67.7-164127.800118.3
1081K62.2Low60.7Low200 Ų20088.5 Ų88.587%0.8746%0.46SS*.THydrogen-bonded Turntrans-138.17.4-176.6-71.1-167175.91790117.4E1079E1079-K1081 PolarHBondContact O-N 3.46Å
1082L74.5Confident63.9Low81 Ų8187.3 Ų87.342%0.42445%0.453SS..  trans-88.3126.5175.6-61.7-179.2000111.2T955 W959 E1079T955-L1082 HydrophobicContact CG2-CB 4.01Å; W959-L1082 HydrophobicContact CB-CD1 4.4Å; W959-L1082 HydrophobicContact CB-CD2 4.12Å; W959-L1082 HydrophobicContact CD2-CD2 3.74Å; W959-L1082 HydrophobicContact CE3-CD2 3.72Å; W959-L1082 HydrophobicContact CG-CD2 3.91Å; W959-L1082 HydrophobicContact CZ3-CD2 4.32Å; E1079-L1082 PolarHBondContact O-N 2.68Å
1083S81.7Confident67Low24 Ų2483.2 Ų83.217%0.16843%0.431CS..  trans-73.2130.8-179.8175.20000112.4T955 W959 Y1085 F1086 L1101T955-S1083 WeakPolarHBondContact CG2-O 3.25Å; W959-S1083 PolarHBondContact NE1-O 2.76Å; S1083-Y1085 PolarHBondContact OG-N 3.41Å; S1083-Y1085 VanDerWaalsContact OG-N 3.12Å; S1083-Y1085 PolarHBondContact OG-O 3.49Å; S1083-F1086 WeakPolarHBondContact O-CZ 3.29Å; S1083-L1101 WeakPolarHBondContact CB-O 3.37Å; S1083-L1101 PolarHBondContact OG-O 3.09Å
1084K89.4Confident70Confident93 Ų9376.6 Ų76.640%0.40440%0.397SS..  trans-86.31172.5-58.9-174.2179.7-175.40114.6D949 T955 F1086D949-K1084 PolarHBondContact N-O 3.08Å; T955-K1084 HydrophobicContact CG2-CG 4.5Å; T955-K1084 WeakPolarHBondContact OG1-CA 3.33Å; K1084-F1086 WeakPolarHBondContact O-CE2 3.42Å
1085Y92.9Very high73.2Confident19 Ų1968.2 Ų68.28%0.07536%0.356CS..EExtended strand (participates in β ladder)trans-112.9127.7-170.6-72.8-85.5000112E783 A869 D870 P871 Y872 H948 S1083 L1101E783-Y1085 VanDerWaalsContact CD-OH 3.22Å; E783-Y1085 PolarHBondContact OE2-OH 2.99Å; E783-Y1085 VanDerWaalsContact OE2-OH 3.05Å; A869-Y1085 HydrophobicContact CB-CD1 4.36Å; D870-Y1085 WeakPolarHBondContact O-CE1 3.42Å; D870-Y1085 PolarHBondContact O-OH 3.44Å; P871-Y1085 VanDerWaalsContact CD-OH 3.29Å; P871-Y1085 WeakPolarHBondContact CD-OH 3.32Å; Y872-Y1085 AromaticContact CD2-CD1 3.69Å; Y872-Y1085 HydrophobicContact CD2-CD1 3.69Å; Y872-Y1085 HydrophobicContact CD2-CD2 4.21Å; Y872-Y1085 HydrophobicContact CD2-CE1 4.1Å; Y872-Y1085 AromaticContact CD2-CG 3.73Å; Y872-Y1085 HydrophobicContact CD2-CG 3.73Å; Y872-Y1085 HydrophobicContact CE2-CD1 4.16Å; Y872-Y1085 AromaticContact CE2-CD2 3.82Å; Y872-Y1085 HydrophobicContact CE2-CD2 3.82Å; Y872-Y1085 HydrophobicContact CE2-CE2 4.24Å; Y872-Y1085 AromaticContact CE2-CG 3.77Å; Y872-Y1085 HydrophobicContact CE2-CG 3.77Å; H948-Y1085 HydrophobicContact CB-CD1 4.02Å; H948-Y1085 HydrophobicContact CB-CE1 3.65Å; H948-Y1085 AromaticContact CD2-CE1 3.71Å; H948-Y1085 AromaticContact CD2-CE2 3.91Å; H948-Y1085 AromaticContact CD2-CZ 3.57Å; H948-Y1085 AromaticContact CG-CE1 3.56Å; H948-Y1085 AromaticContact CG-CZ 3.74Å; H948-Y1085 AromaticContact NE2-CZ 3.86Å; S1083-Y1085 PolarHBondContact OG-N 3.41Å; S1083-Y1085 VanDerWaalsContact OG-N 3.12Å; S1083-Y1085 PolarHBondContact OG-O 3.49Å; Y1085-L1101 PolarHBondContact O-N 2.87Å
1086F94.9Very high76.3Confident0 Ų062.3 Ų62.30%032%0.324CS..EExtended strand (participates in β ladder)trans-130.3142.8-172.9-55.7-71.7000112.4L946 Y947 D949 L954 T955 L958 S1083 K1084 F1088 I1098 Y1099 L1107L946-F1086 CarbonylContact C-O 3.58Å; L946-F1086 WeakPolarHBondContact CA-O 2.9Å; Y947-F1086 HydrophobicContact CD1-CD2 4.28Å; Y947-F1086 PolarHBondContact N-O 3.31Å; Y947-F1086 PolarHBondContact O-N 2.93Å; D949-F1086 HydrophobicContact CB-CD2 4.43Å; D949-F1086 HydrophobicContact CB-CE2 3.99Å; L954-F1086 HydrophobicContact CD2-CD2 4.34Å; T955-F1086 HydrophobicContact CG2-CZ 4.34Å; T955-F1086 WeakPolarHBondContact OG1-CE2 3.27Å; L958-F1086 HydrophobicContact CB-CE1 4.47Å; L958-F1086 HydrophobicContact CD1-CD1 3.58Å; L958-F1086 HydrophobicContact CD1-CD2 4.33Å; L958-F1086 HydrophobicContact CD1-CE1 3.57Å; L958-F1086 HydrophobicContact CD1-CE2 4.3Å; L958-F1086 HydrophobicContact CD1-CG 3.99Å; L958-F1086 HydrophobicContact CD1-CZ 3.95Å; S1083-F1086 WeakPolarHBondContact O-CZ 3.29Å; K1084-F1086 WeakPolarHBondContact O-CE2 3.42Å; F1086-F1088 HydrophobicContact CB-CD2 4.39Å; F1086-F1088 HydrophobicContact CB-CE2 3.97Å; F1086-I1098 HydrophobicContact CB-CG2 4.3Å; F1086-Y1099 CarbonylContact C-O 3.6Å; F1086-Y1099 VanDerWaalsContact CA-O 3.27Å; F1086-Y1099 WeakPolarHBondContact CA-O 3.39Å; F1086-L1107 HydrophobicContact CD1-CD1 4.47Å; F1086-L1107 HydrophobicContact CE1-CD1 3.93Å
1087A94.8Very high79.4Confident0 Ų056.1 Ų56.10%029%0.291CS..EExtended strand (participates in β ladder)trans-112.2119.3168.800000109.3L874 L946 I1098 Y1099 L1101L874-A1087 HydrophobicContact CD2-CB 4.12Å; L946-A1087 HydrophobicContact CD2-CB 3.47Å; L946-A1087 VanDerWaalsContact CD2-CB 3.47Å; A1087-I1098 WeakPolarHBondContact O-CA 3.17Å; A1087-Y1099 PolarHBondContact N-O 3.46Å; A1087-Y1099 PolarHBondContact O-N 2.91Å; A1087-L1101 HydrophobicContact CB-CD2 4.18Å
1088F96.2Very high82.6Confident0 Ų047.8 Ų47.80%025%0.247CC..EExtended strand (participates in β ladder)trans-95.5124.4172.3-71.1-114.9000107.6F944 S945 L954 F1086 I1098 I1156 V1158 L1170 W1206F944-F1088 CarbonylContact C-O 3.59Å; F944-F1088 WeakPolarHBondContact CA-O 3.32Å; F944-F1088 WeakPolarHBondContact CB-O 3.45Å; S945-F1088 PolarHBondContact N-O 2.77Å; S945-F1088 PolarHBondContact O-N 2.9Å; L954-F1088 HydrophobicContact CD2-CZ 4.27Å; F1086-F1088 HydrophobicContact CB-CD2 4.39Å; F1086-F1088 HydrophobicContact CB-CE2 3.97Å; F1088-I1098 HydrophobicContact CD1-CD1 3.86Å; F1088-I1098 HydrophobicContact CD1-CG1 3.78Å; F1088-I1098 HydrophobicContact CD2-CG2 4.34Å; F1088-I1098 HydrophobicContact CE1-CD1 3.38Å; F1088-I1098 HydrophobicContact CE1-CG1 3.83Å; F1088-I1098 HydrophobicContact CE2-CG2 4.13Å; F1088-I1098 HydrophobicContact CG-CG1 4.3Å; F1088-I1098 HydrophobicContact CZ-CD1 3.86Å; F1088-I1098 HydrophobicContact CZ-CG1 4.36Å; F1088-I1098 HydrophobicContact CZ-CG2 4.22Å; F1088-I1156 HydrophobicContact CB-CD1 3.85Å; F1088-V1158 HydrophobicContact CD1-CG2 3.91Å; F1088-V1158 HydrophobicContact CD2-CG2 3.8Å; F1088-V1158 HydrophobicContact CE1-CG2 3.95Å; F1088-V1158 HydrophobicContact CE2-CG2 3.88Å; F1088-V1158 HydrophobicContact CG-CG2 3.85Å; F1088-V1158 HydrophobicContact CZ-CG1 4.48Å; F1088-V1158 HydrophobicContact CZ-CG2 3.95Å; F1088-L1170 HydrophobicContact CD1-CD1 4.5Å; F1088-W1206 AromaticContact CE1-CH2 3.64Å; F1088-W1206 HydrophobicContact CE1-CH2 3.64Å; F1088-W1206 AromaticContact CE1-CZ2 3.59Å; F1088-W1206 HydrophobicContact CE1-CZ2 3.59Å; F1088-W1206 AromaticContact CZ-CH2 3.64Å; F1088-W1206 HydrophobicContact CZ-CH2 3.64Å; F1088-W1206 AromaticContact CZ-CZ2 3.74Å; F1088-W1206 HydrophobicContact CZ-CZ2 3.74Å
1089I95.4Very high85.2Confident0 Ų043.8 Ų43.80%021%0.213CC..EExtended strand (participates in β ladder)trans-130.2124.9-175.7-49.3178.1000109.3L874 L882 P941 F944 F1091 L1096 E1097 Y1099 F1104L874-I1089 HydrophobicContact CD2-CD1 4.46Å; L882-I1089 HydrophobicContact CD1-CD1 3.97Å; P941-I1089 HydrophobicContact CB-CG2 4Å; F944-I1089 HydrophobicContact CB-CB 4.43Å; F944-I1089 HydrophobicContact CB-CG1 4.08Å; F944-I1089 HydrophobicContact CB-CG2 4.43Å; I1089-F1091 HydrophobicContact CB-CE2 4.01Å; I1089-F1091 HydrophobicContact CB-CZ 4.04Å; I1089-F1091 HydrophobicContact CG2-CD1 4.33Å; I1089-F1091 HydrophobicContact CG2-CD2 4.29Å; I1089-F1091 HydrophobicContact CG2-CE1 3.79Å; I1089-F1091 HydrophobicContact CG2-CE2 3.73Å; I1089-F1091 HydrophobicContact CG2-CZ 3.47Å; I1089-F1091 VanDerWaalsContact CG2-CZ 3.47Å; I1089-L1096 WeakPolarHBondContact O-CA 3.4Å; I1089-E1097 PolarHBondContact N-O 3.48Å; I1089-E1097 PolarHBondContact O-N 3.29Å; I1089-Y1099 HydrophobicContact CD1-CD2 3.91Å; I1089-Y1099 HydrophobicContact CD1-CE2 4.22Å; I1089-Y1099 HydrophobicContact CG1-CD2 4.46Å; I1089-F1104 HydrophobicContact CD1-CE1 4.02Å; I1089-F1104 HydrophobicContact CD1-CZ 3.87Å
1090V94.7Very high87.7Confident0 Ų037.6 Ų37.60%019%0.185CC..EExtended strand (participates in β ladder)trans-101132170.3179.90000108.2L942 C943 V1095 L1096 F1113 I1153 I1156L942-V1090 WeakPolarHBondContact CB-O 3.34Å; L942-V1090 HydrophobicContact CD2-CG1 4.48Å; L942-V1090 PolarHBondContact N-O 2.92Å; C943-V1090 PolarHBondContact N-O 2.92Å; C943-V1090 PolarHBondContact O-N 3.47Å; V1090-V1095 WeakPolarHBondContact CA-O 3.31Å; V1090-L1096 HydrophobicContact CG2-CD1 3.88Å; V1090-F1113 HydrophobicContact CG1-CD1 4.28Å; V1090-F1113 HydrophobicContact CG2-CD1 3.9Å; V1090-F1113 HydrophobicContact CG2-CE1 3.68Å; V1090-I1153 HydrophobicContact CG1-CD1 4.2Å; V1090-I1156 HydrophobicContact CG2-CD1 4.07Å; V1090-I1156 HydrophobicContact CG2-CG2 4.07Å
1091F93.8Very high89.9Confident3 Ų328.5 Ų28.51%0.01314%0.142CC..EExtended strand (participates in β ladder)trans-103.8159.4178.9-62.5-84.4000112V935 Q937 S939 A940 P941 I1089 N1093 G1094 V1095 E1097V935-F1091 HydrophobicContact CG1-CE1 3.9Å; V935-F1091 HydrophobicContact CG1-CZ 3.67Å; Q937-F1091 HydrophobicContact CB-CD1 4.12Å; Q937-F1091 HydrophobicContact CB-CD2 4.33Å; Q937-F1091 HydrophobicContact CB-CE1 3.94Å; Q937-F1091 HydrophobicContact CB-CE2 4.16Å; Q937-F1091 HydrophobicContact CB-CG 4.31Å; Q937-F1091 HydrophobicContact CB-CZ 3.96Å; Q937-F1091 HydrophobicContact CG-CB 4.1Å; Q937-F1091 HydrophobicContact CG-CD1 3.8Å; Q937-F1091 HydrophobicContact CG-CD2 3.86Å; Q937-F1091 HydrophobicContact CG-CE1 4.14Å; Q937-F1091 HydrophobicContact CG-CE2 4.2Å; Q937-F1091 HydrophobicContact CG-CG 3.64Å; Q937-F1091 HydrophobicContact CG-CZ 4.33Å; S939-F1091 WeakPolarHBondContact O-CD1 3.28Å; A940-F1091 CarbonylContact O-C 3.57Å; A940-F1091 VanDerWaalsContact O-CA 3.28Å; A940-F1091 WeakPolarHBondContact O-CA 3.5Å; P941-F1091 HydrophobicContact CB-CD1 4.16Å; P941-F1091 HydrophobicContact CB-CE1 4.06Å; I1089-F1091 HydrophobicContact CB-CE2 4.01Å; I1089-F1091 HydrophobicContact CB-CZ 4.04Å; I1089-F1091 HydrophobicContact CG2-CD1 4.33Å; I1089-F1091 HydrophobicContact CG2-CD2 4.29Å; I1089-F1091 HydrophobicContact CG2-CE1 3.79Å; I1089-F1091 HydrophobicContact CG2-CE2 3.73Å; I1089-F1091 HydrophobicContact CG2-CZ 3.47Å; I1089-F1091 VanDerWaalsContact CG2-CZ 3.47Å; F1091-N1093 WeakPolarHBondContact CB-OD1 3.37Å; F1091-N1093 PolarHBondContact O-N 2.94Å; F1091-N1093 VanDerWaalsContact O-N 3.1Å; F1091-G1094 PolarHBondContact O-N 3.17Å; F1091-V1095 PolarHBondContact N-O 2.92Å; F1091-E1097 HydrophobicContact CD2-CG 4.28Å; F1091-E1097 HydrophobicContact CE2-CB 3.95Å; F1091-E1097 VanDerWaalsContact CE2-CD 3.41Å; F1091-E1097 HydrophobicContact CE2-CG 3.8Å
1092T90.1Very high91.1Very high83 Ų8321.1 Ų21.151%0.50912%0.115SC..THydrogen-bonded Turntrans-61.7-17.3-177.947.90000114.5A940 L942 G1094A940-T1092 HydrophobicContact CB-CG2 3.81Å; A940-T1092 PolarHBondContact N-OG1 3.32Å; A940-T1092 PolarHBondContact O-N 3.32Å; A940-T1092 PolarHBondContact O-OG1 3.01Å; L942-T1092 HydrophobicContact CB-CG2 4.11Å; L942-T1092 HydrophobicContact CD1-CG2 4.38Å; T1092-G1094 VanDerWaalsContact C-N 3.28Å
1093N88.4Confident91.6Very high71 Ų7122.9 Ų22.938%0.3813%0.125SC..THydrogen-bonded Turntrans-81.20.5171.365.16.6000114.3Q937 S939 F1091 V1095Q937-N1093 VanDerWaalsContact CD-ND2 3.31Å; Q937-N1093 PolarHBondContact OE1-ND2 3.21Å; S939-N1093 WeakPolarHBondContact OG-CB 3.46Å; S939-N1093 PolarHBondContact OG-ND2 2.74Å; S939-N1093 VanDerWaalsContact OG-ND2 3.14Å; F1091-N1093 WeakPolarHBondContact CB-OD1 3.37Å; F1091-N1093 PolarHBondContact O-N 2.94Å; F1091-N1093 VanDerWaalsContact O-N 3.1Å; N1093-V1095 VanDerWaalsContact OD1-CB 3.32Å; N1093-V1095 WeakPolarHBondContact OD1-CB 3.37Å; N1093-V1095 WeakPolarHBondContact OD1-CG2 3.27Å; N1093-V1095 PolarHBondContact OD1-N 3.04Å
1094G87.6Confident91.9Very high3 Ų322.6 Ų22.63%0.03112%0.121CC..SBendtrans77.719.4-178.500000114.9F1091 T1092 H1112 F1113F1091-G1094 PolarHBondContact O-N 3.17Å; T1092-G1094 VanDerWaalsContact C-N 3.28Å; G1094-H1112 PolarHBondContact O-N 3.12Å; G1094-F1113 WeakPolarHBondContact O-CB 3.45Å; G1094-F1113 PolarHBondContact O-N 3.26Å
1095V92.5Very high91.9Very high10 Ų1020 Ų206%0.06111%0.113CC..  trans-90.6138.3169.3-178.10000110.1V1090 F1091 N1093 E1097 E1109 V1110V1090-V1095 WeakPolarHBondContact CA-O 3.31Å; F1091-V1095 PolarHBondContact N-O 2.92Å; N1093-V1095 VanDerWaalsContact OD1-CB 3.32Å; N1093-V1095 WeakPolarHBondContact OD1-CB 3.37Å; N1093-V1095 WeakPolarHBondContact OD1-CG2 3.27Å; N1093-V1095 PolarHBondContact OD1-N 3.04Å; V1095-E1097 HydrophobicContact CG1-CG 4.04Å; V1095-E1109 HydrophobicContact CG1-CG 4.19Å; V1095-V1110 WeakPolarHBondContact CA-O 2.98Å
1096L94.5Very high91.8Very high2 Ų221 Ų211%0.0112%0.119CC..EExtended strand (participates in β ladder)trans-107129.3169.1167.269.1000109.4I1089 V1090 E1109 V1110 F1113 L1120 L1170I1089-L1096 WeakPolarHBondContact O-CA 3.4Å; V1090-L1096 HydrophobicContact CG2-CD1 3.88Å; L1096-E1109 CarbonylContact O-C 3.5Å; L1096-V1110 HydrophobicContact CB-CB 4.33Å; L1096-V1110 PolarHBondContact N-O 2.9Å; L1096-V1110 PolarHBondContact O-N 3.03Å; L1096-F1113 HydrophobicContact CB-CB 4.18Å; L1096-F1113 HydrophobicContact CB-CD1 3.86Å; L1096-F1113 HydrophobicContact CB-CD2 4.41Å; L1096-F1113 HydrophobicContact CB-CE1 4.32Å; L1096-F1113 HydrophobicContact CB-CG 3.91Å; L1096-F1113 HydrophobicContact CD2-CD1 4.38Å; L1096-F1113 HydrophobicContact CD2-CD2 4.09Å; L1096-F1113 HydrophobicContact CD2-CE1 4.14Å; L1096-F1113 HydrophobicContact CD2-CE2 3.85Å; L1096-F1113 HydrophobicContact CD2-CG 4.36Å; L1096-F1113 HydrophobicContact CD2-CZ 3.85Å; L1096-L1120 HydrophobicContact CD2-CD1 4.23Å; L1096-L1170 HydrophobicContact CD2-CD2 3.93Å
1097E94.3Very high91.5Very high4 Ų421 Ų212%0.01912%0.119CC..EExtended strand (participates in β ladder)trans-123.6145.5176.4-63.3177.2-164.300110.7Q937 I1089 F1091 V1095 Y1099 L1106 Y1108 E1109Q937-E1097 PolarHBondContact NE2-OE1 2.94Å; I1089-E1097 PolarHBondContact N-O 3.48Å; I1089-E1097 PolarHBondContact O-N 3.29Å; F1091-E1097 HydrophobicContact CD2-CG 4.28Å; F1091-E1097 HydrophobicContact CE2-CB 3.95Å; F1091-E1097 VanDerWaalsContact CE2-CD 3.41Å; F1091-E1097 HydrophobicContact CE2-CG 3.8Å; V1095-E1097 HydrophobicContact CG1-CG 4.04Å; E1097-Y1099 HydrophobicContact CB-CD2 4.18Å; E1097-Y1099 HydrophobicContact CB-CE2 3.63Å; E1097-Y1099 HydrophobicContact CG-CE2 4.49Å; E1097-Y1099 WeakPolarHBondContact OE2-CE2 3.31Å; E1097-Y1099 PolarHBondContact OE2-OH 3.01Å; E1097-L1106 HydrophobicContact CB-CD1 3.68Å; E1097-L1106 HydrophobicContact CG-CD1 3.99Å; E1097-Y1108 WeakPolarHBondContact CA-O 3.48Å; E1097-E1109 HydrophobicContact CG-CG 4.48Å
1098I94.6Very high91.3Very high0 Ų021 Ų210%012%0.119CC..EExtended strand (participates in β ladder)trans-118.7123.7174.9-51.4176.7000109.5L958 F1086 A1087 F1088 L1107 Y1108 W1206L958-I1098 HydrophobicContact CD1-CG2 4.09Å; L958-I1098 HydrophobicContact CD2-CD1 4.44Å; F1086-I1098 HydrophobicContact CB-CG2 4.3Å; A1087-I1098 WeakPolarHBondContact O-CA 3.17Å; F1088-I1098 HydrophobicContact CD1-CD1 3.86Å; F1088-I1098 HydrophobicContact CD1-CG1 3.78Å; F1088-I1098 HydrophobicContact CD2-CG2 4.34Å; F1088-I1098 HydrophobicContact CE1-CD1 3.38Å; F1088-I1098 HydrophobicContact CE1-CG1 3.83Å; F1088-I1098 HydrophobicContact CE2-CG2 4.13Å; F1088-I1098 HydrophobicContact CG-CG1 4.3Å; F1088-I1098 HydrophobicContact CZ-CD1 3.86Å; F1088-I1098 HydrophobicContact CZ-CG1 4.36Å; F1088-I1098 HydrophobicContact CZ-CG2 4.22Å; I1098-L1107 PolarHBondContact O-N 3.13Å; I1098-Y1108 HydrophobicContact CD1-CD1 4Å; I1098-Y1108 HydrophobicContact CD1-CG 4.02Å; I1098-Y1108 PolarHBondContact N-O 2.58Å; I1098-Y1108 PolarHBondContact O-N 3.07Å; I1098-W1206 HydrophobicContact CD1-CZ2 4.11Å
1099Y93.6Very high91.1Very high4 Ų422.9 Ų22.92%0.01613%0.128CC..EExtended strand (participates in β ladder)trans-114.6144.4-177.3-74.3-88.6000112.2F1086 A1087 I1089 E1097 F1104 T1105 L1106F1086-Y1099 CarbonylContact C-O 3.6Å; F1086-Y1099 VanDerWaalsContact CA-O 3.27Å; F1086-Y1099 WeakPolarHBondContact CA-O 3.39Å; A1087-Y1099 PolarHBondContact N-O 3.46Å; A1087-Y1099 PolarHBondContact O-N 2.91Å; I1089-Y1099 HydrophobicContact CD1-CD2 3.91Å; I1089-Y1099 HydrophobicContact CD1-CE2 4.22Å; I1089-Y1099 HydrophobicContact CG1-CD2 4.46Å; E1097-Y1099 HydrophobicContact CB-CD2 4.18Å; E1097-Y1099 HydrophobicContact CB-CE2 3.63Å; E1097-Y1099 HydrophobicContact CG-CE2 4.49Å; E1097-Y1099 WeakPolarHBondContact OE2-CE2 3.31Å; E1097-Y1099 PolarHBondContact OE2-OH 3.01Å; Y1099-F1104 AromaticContact CD1-CD1 3.37Å; Y1099-F1104 HydrophobicContact CD1-CD1 3.37Å; Y1099-F1104 AromaticContact CD1-CE1 3.79Å; Y1099-F1104 HydrophobicContact CD1-CE1 3.79Å; Y1099-F1104 HydrophobicContact CD1-CG 4.23Å; Y1099-F1104 VanDerWaalsContact CD1-O 3.3Å; Y1099-F1104 WeakPolarHBondContact CD1-O 3.36Å; Y1099-F1104 HydrophobicContact CD2-CD1 4.38Å; Y1099-F1104 AromaticContact CD2-CE1 3.93Å; Y1099-F1104 HydrophobicContact CD2-CE1 3.93Å; Y1099-F1104 AromaticContact CE1-CD1 3.81Å; Y1099-F1104 HydrophobicContact CE1-CD1 3.81Å; Y1099-F1104 HydrophobicContact CE1-CE1 4.17Å; Y1099-F1104 HydrophobicContact CE2-CE1 4.32Å; Y1099-F1104 AromaticContact CG-CD1 3.69Å; Y1099-F1104 HydrophobicContact CG-CD1 3.69Å; Y1099-F1104 AromaticContact CG-CE1 3.65Å; Y1099-F1104 HydrophobicContact CG-CE1 3.65Å; Y1099-F1104 HydrophobicContact CG-CZ 4.46Å; Y1099-T1105 WeakPolarHBondContact CA-O 3.28Å; Y1099-L1106 HydrophobicContact CD1-CB 4.24Å; Y1099-L1106 HydrophobicContact CD2-CD1 4.48Å; Y1099-L1106 HydrophobicContact CE1-CB 3.84Å; Y1099-L1106 HydrophobicContact CE1-CD1 4.23Å; Y1099-L1106 HydrophobicContact CE2-CD1 4.03Å
1100S92.7Very high90.9Very high1 Ų123 Ų231%0.00713%0.128CC..EExtended strand (participates in β ladder)trans-88.6133.7172.864.40000112.4F1104 T1105S1100-F1104 WeakPolarHBondContact O-CA 3.49Å; S1100-F1104 PolarHBondContact O-N 3.07Å; S1100-T1105 PolarHBondContact N-O 2.79Å; S1100-T1105 PolarHBondContact O-N 3.18Å; S1100-T1105 PolarHBondContact OG-N 3.31Å; S1100-T1105 PolarHBondContact OG-O 2.87Å; S1100-T1105 PolarHBondContact OG-OG1 2.84Å
1101L90Very high90.6Very high1 Ų124.9 Ų24.91%0.00514%0.137CC..THydrogen-bonded Turntrans-97.7148.4175.7-55.2-178.7000111.7Y872 L884 L946 S1083 Y1085 A1087 F1104Y872-L1101 HydrophobicContact CD2-CD1 4.46Å; Y872-L1101 HydrophobicContact CG-CB 4.48Å; Y872-L1101 HydrophobicContact CG-CD1 4.07Å; L884-L1101 HydrophobicContact CD1-CD1 4.02Å; L884-L1101 HydrophobicContact CD1-CD2 3.91Å; L884-L1101 HydrophobicContact CD2-CD2 3.99Å; L946-L1101 HydrophobicContact CD1-CD1 4.2Å; L946-L1101 HydrophobicContact CD2-CD1 3.9Å; S1083-L1101 WeakPolarHBondContact CB-O 3.37Å; S1083-L1101 PolarHBondContact OG-O 3.09Å; Y1085-L1101 PolarHBondContact O-N 2.87Å; A1087-L1101 HydrophobicContact CB-CD2 4.18Å; L1101-F1104 HydrophobicContact CD2-CD2 3.62Å; L1101-F1104 HydrophobicContact CD2-CE2 3.69Å
1102P85.7Confident90.1Very high45 Ų4528.6 Ų28.629%0.29215%0.154SC..THydrogen-bonded Turncis-80.5-20.4-2.132.9-34.4000113.9Y872 L884 F1104Y872-P1102 HydrophobicContact CE1-CB 3.98Å; L884-P1102 HydrophobicContact CD2-CB 4.47Å; P1102-F1104 PolarHBondContact O-N 2.77Å
1103D85.7Confident90.2Very high118 Ų11824.6 Ų24.663%0.63113%0.13SC*.THydrogen-bonded Turntrans-59.7-14.3-168.8-63.71.2000115.9T1105D1103-T1105 VanDerWaalsContact C-N 3.34Å; D1103-T1105 HydrophobicContact CB-CG2 3.77Å; D1103-T1105 PolarHBondContact O-N 3.33Å
1104F88.5Confident90.1Very high18 Ų1823.2 Ų23.28%0.07912%0.124CC..THydrogen-bonded Turntrans52.345-176.4-127.6-91000113.5L874 L884 P933 V935 I1089 Y1099 S1100 L1101 P1102L874-F1104 HydrophobicContact CD1-CE2 4.32Å; L874-F1104 HydrophobicContact CD1-CZ 4.47Å; L884-F1104 HydrophobicContact CD2-CD2 4.48Å; P933-F1104 HydrophobicContact CB-CB 4.05Å; P933-F1104 HydrophobicContact CB-CD1 3.75Å; P933-F1104 HydrophobicContact CB-CD2 3.47Å; P933-F1104 VanDerWaalsContact CB-CD2 3.47Å; P933-F1104 HydrophobicContact CB-CE1 4Å; P933-F1104 HydrophobicContact CB-CE2 3.73Å; P933-F1104 HydrophobicContact CB-CG 3.47Å; P933-F1104 VanDerWaalsContact CB-CG 3.47Å; P933-F1104 HydrophobicContact CB-CZ 3.97Å; P933-F1104 HydrophobicContact CG-CD2 4.12Å; P933-F1104 HydrophobicContact CG-CE1 4.5Å; P933-F1104 HydrophobicContact CG-CE2 3.89Å; P933-F1104 HydrophobicContact CG-CZ 4.08Å; V935-F1104 HydrophobicContact CG2-CD1 4.45Å; V935-F1104 HydrophobicContact CG2-CE1 3.81Å; I1089-F1104 HydrophobicContact CD1-CE1 4.02Å; I1089-F1104 HydrophobicContact CD1-CZ 3.87Å; Y1099-F1104 AromaticContact CD1-CD1 3.37Å; Y1099-F1104 HydrophobicContact CD1-CD1 3.37Å; Y1099-F1104 AromaticContact CD1-CE1 3.79Å; Y1099-F1104 HydrophobicContact CD1-CE1 3.79Å; Y1099-F1104 HydrophobicContact CD1-CG 4.23Å; Y1099-F1104 VanDerWaalsContact CD1-O 3.3Å; Y1099-F1104 WeakPolarHBondContact CD1-O 3.36Å; Y1099-F1104 HydrophobicContact CD2-CD1 4.38Å; Y1099-F1104 AromaticContact CD2-CE1 3.93Å; Y1099-F1104 HydrophobicContact CD2-CE1 3.93Å; Y1099-F1104 AromaticContact CE1-CD1 3.81Å; Y1099-F1104 HydrophobicContact CE1-CD1 3.81Å; Y1099-F1104 HydrophobicContact CE1-CE1 4.17Å; Y1099-F1104 HydrophobicContact CE2-CE1 4.32Å; Y1099-F1104 AromaticContact CG-CD1 3.69Å; Y1099-F1104 HydrophobicContact CG-CD1 3.69Å; Y1099-F1104 AromaticContact CG-CE1 3.65Å; Y1099-F1104 HydrophobicContact CG-CE1 3.65Å; Y1099-F1104 HydrophobicContact CG-CZ 4.46Å; S1100-F1104 WeakPolarHBondContact O-CA 3.49Å; S1100-F1104 PolarHBondContact O-N 3.07Å; L1101-F1104 HydrophobicContact CD2-CD2 3.62Å; L1101-F1104 HydrophobicContact CD2-CE2 3.69Å; P1102-F1104 PolarHBondContact O-N 2.77Å
1105T89.9Confident90.1Very high39 Ų3924.8 Ų24.824%0.23913%0.131CC..EExtended strand (participates in β ladder)trans-89.7132.2176.880.70000112K962 Y1099 S1100 D1103 L1107K962-T1105 PolarHBondContact NZ-OG1 3.05Å; Y1099-T1105 WeakPolarHBondContact CA-O 3.28Å; S1100-T1105 PolarHBondContact N-O 2.79Å; S1100-T1105 PolarHBondContact O-N 3.18Å; S1100-T1105 PolarHBondContact OG-N 3.31Å; S1100-T1105 PolarHBondContact OG-O 2.87Å; S1100-T1105 PolarHBondContact OG-OG1 2.84Å; D1103-T1105 VanDerWaalsContact C-N 3.34Å; D1103-T1105 HydrophobicContact CB-CG2 3.77Å; D1103-T1105 PolarHBondContact O-N 3.33Å; T1105-L1107 PolarHBondContact O-N 2.64Å
1106L89.9Confident90Very high38 Ų3824.4 Ų24.420%0.19913%0.129CC..EExtended strand (participates in β ladder)trans-72.2111-179.2179.666.3000111.6E1097 Y1099 Y1108 R1124E1097-L1106 HydrophobicContact CB-CD1 3.68Å; E1097-L1106 HydrophobicContact CG-CD1 3.99Å; Y1099-L1106 HydrophobicContact CD1-CB 4.24Å; Y1099-L1106 HydrophobicContact CD2-CD1 4.48Å; Y1099-L1106 HydrophobicContact CE1-CB 3.84Å; Y1099-L1106 HydrophobicContact CE1-CD1 4.23Å; Y1099-L1106 HydrophobicContact CE2-CD1 4.03Å; L1106-Y1108 WeakPolarHBondContact CD1-O 3.3Å; L1106-R1124 HydrophobicContact CD2-CG 4.46Å; L1106-R1124 PolarHBondContact O-NH1 3.4Å; L1106-R1124 VanDerWaalsContact O-NH1 3.09Å
1107L88.7Confident89.8Confident0 Ų026 Ų260%014%0.14CC..EExtended strand (participates in β ladder)trans-103-14.5-177.8-61-168.8000114.4L958 W959 K962 F1086 I1098 T1105 R1124L958-L1107 HydrophobicContact CB-CB 4.3Å; L958-L1107 HydrophobicContact CB-CD1 3.84Å; L958-L1107 HydrophobicContact CD2-CB 4.23Å; W959-L1107 HydrophobicContact CD2-CD1 4.28Å; W959-L1107 HydrophobicContact CG-CD1 4.31Å; K962-L1107 HydrophobicContact CD-CD2 3.95Å; F1086-L1107 HydrophobicContact CD1-CD1 4.47Å; F1086-L1107 HydrophobicContact CE1-CD1 3.93Å; I1098-L1107 PolarHBondContact O-N 3.13Å; T1105-L1107 PolarHBondContact O-N 2.64Å; L1107-R1124 VanDerWaalsContact C-CZ 3.47Å; L1107-R1124 PolarHBondContact O-NE 3.07Å; L1107-R1124 PolarHBondContact O-NH1 2.97Å; L1107-R1124 PolarHBondContact O-NH2 3.11Å
1108Y90.1Very high89.4Confident2 Ų229 Ų291%0.00815%0.154CC..EExtended strand (participates in β ladder)trans-158.4144-179.8-150.4-100000111.3L958 E1097 I1098 L1106 V1110 L1120 I1121 D1122 L1204 W1206L958-Y1108 HydrophobicContact CD2-CD2 4.17Å; L958-Y1108 HydrophobicContact CD2-CG 4.49Å; E1097-Y1108 WeakPolarHBondContact CA-O 3.48Å; I1098-Y1108 HydrophobicContact CD1-CD1 4Å; I1098-Y1108 HydrophobicContact CD1-CG 4.02Å; I1098-Y1108 PolarHBondContact N-O 2.58Å; I1098-Y1108 PolarHBondContact O-N 3.07Å; L1106-Y1108 WeakPolarHBondContact CD1-O 3.3Å; Y1108-V1110 HydrophobicContact CD1-CG2 3.69Å; Y1108-V1110 HydrophobicContact CE1-CG2 3.52Å; Y1108-L1120 PolarHBondContact OH-O 2.91Å; Y1108-I1121 WeakPolarHBondContact OH-CA 3.27Å; Y1108-D1122 HydrophobicContact CD2-CB 3.83Å; Y1108-D1122 HydrophobicContact CE2-CB 3.62Å; Y1108-D1122 HydrophobicContact CG-CB 4.38Å; Y1108-D1122 PolarHBondContact OH-N 2.95Å; Y1108-L1204 HydrophobicContact CD2-CD2 4.21Å; Y1108-L1204 HydrophobicContact CE2-CB 3.99Å; Y1108-L1204 HydrophobicContact CE2-CD2 4.01Å; Y1108-L1204 HydrophobicContact CE2-CG 4.01Å; Y1108-L1204 WeakPolarHBondContact CE2-O 3.48Å; Y1108-L1204 PolarHBondContact OH-O 2.72Å; Y1108-W1206 AromaticContact CE1-CD1 3.97Å; Y1108-W1206 AromaticContact CE1-NE1 3.99Å
1109E91.7Very high89.1Confident39 Ų3931 Ų3118%0.18216%0.164CC..EExtended strand (participates in β ladder)trans-139.1135.2178.7-171.2179.6173.800111.2V1095 L1096 E1097 H1111 D1122 H1123 R1124V1095-E1109 HydrophobicContact CG1-CG 4.19Å; L1096-E1109 CarbonylContact O-C 3.5Å; E1097-E1109 HydrophobicContact CG-CG 4.48Å; E1109-H1111 IonicContact OE1-CE1 2.75Å; E1109-H1111 PolarHBondContact OE1-CE1 2.84Å; E1109-H1111 IonicContact OE1-NE2 2.77Å; E1109-D1122 PolarHBondContact N-OD1 3.07Å; E1109-D1122 VanDerWaalsContact N-OD1 3.08Å; E1109-D1122 WeakPolarHBondContact O-CA 3.19Å; E1109-H1123 PolarHBondContact O-N 2.83Å; E1109-R1124 HydrophobicContact CB-CG 3.46Å; E1109-R1124 VanDerWaalsContact CB-CG 3.46Å; E1109-R1124 WeakPolarHBondContact OE2-CG 3.36Å
1110V91.2Very high89Confident2 Ų230.9 Ų30.91%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-137.5117179.4-168.20000110.9V1095 L1096 Y1108 L1120V1095-V1110 WeakPolarHBondContact CA-O 2.98Å; L1096-V1110 HydrophobicContact CB-CB 4.33Å; L1096-V1110 PolarHBondContact N-O 2.9Å; L1096-V1110 PolarHBondContact O-N 3.03Å; Y1108-V1110 HydrophobicContact CD1-CG2 3.69Å; Y1108-V1110 HydrophobicContact CE1-CG2 3.52Å; V1110-L1120 HydrophobicContact CG1-CB 4.4Å; V1110-L1120 HydrophobicContact CG1-CD2 4.37Å; V1110-L1120 HydrophobicContact CG2-CB 4.33Å
1111H88.7Confident88.6Confident39 Ų3934.7 Ų34.718%0.18118%0.183CC..SBendtrans-84.1158172.2-46.8-62.8000112E1109 F1113 H1123 L1131E1109-H1111 IonicContact OE1-CE1 2.75Å; E1109-H1111 PolarHBondContact OE1-CE1 2.84Å; E1109-H1111 IonicContact OE1-NE2 2.77Å; H1111-F1113 VanDerWaalsContact C-N 3.29Å; H1111-F1113 PolarHBondContact O-N 3.44Å; H1111-H1123 AromaticContact CD2-CD2 3.71Å; H1111-H1123 AromaticContact CD2-CG 3.65Å; H1111-L1131 WeakPolarHBondContact CD2-CD1 3.13Å
1112H84.4Confident88.5Confident81 Ų8135.3 Ų35.338%0.37519%0.186SC..  trans57.336.6177.5-48.190.8000113.8G1094 T1114 D1115G1094-H1112 PolarHBondContact O-N 3.12Å; H1112-T1114 PolarHBondContact O-N 3.14Å; H1112-D1115 PolarHBondContact O-N 2.82Å
1113F90.8Very high88.4Confident0 Ų035.1 Ų35.10%018%0.181CC..G310 helixtrans-63.3-27.4-179.6-176.8-128.8000112.6V1090 G1094 L1096 H1111 D1115 L1116 L1120 I1153 L1170 V1172 F1181V1090-F1113 HydrophobicContact CG1-CD1 4.28Å; V1090-F1113 HydrophobicContact CG2-CD1 3.9Å; V1090-F1113 HydrophobicContact CG2-CE1 3.68Å; G1094-F1113 WeakPolarHBondContact O-CB 3.45Å; G1094-F1113 PolarHBondContact O-N 3.26Å; L1096-F1113 HydrophobicContact CB-CB 4.18Å; L1096-F1113 HydrophobicContact CB-CD1 3.86Å; L1096-F1113 HydrophobicContact CB-CD2 4.41Å; L1096-F1113 HydrophobicContact CB-CE1 4.32Å; L1096-F1113 HydrophobicContact CB-CG 3.91Å; L1096-F1113 HydrophobicContact CD2-CD1 4.38Å; L1096-F1113 HydrophobicContact CD2-CD2 4.09Å; L1096-F1113 HydrophobicContact CD2-CE1 4.14Å; L1096-F1113 HydrophobicContact CD2-CE2 3.85Å; L1096-F1113 HydrophobicContact CD2-CG 4.36Å; L1096-F1113 HydrophobicContact CD2-CZ 3.85Å; H1111-F1113 VanDerWaalsContact C-N 3.29Å; H1111-F1113 PolarHBondContact O-N 3.44Å; F1113-D1115 VanDerWaalsContact C-N 3.3Å; F1113-D1115 PolarHBondContact O-N 2.7Å; F1113-L1116 PolarHBondContact O-N 3.04Å; F1113-L1120 HydrophobicContact CD2-CD1 4.22Å; F1113-L1120 HydrophobicContact CD2-CD2 3.97Å; F1113-L1120 HydrophobicContact CE2-CD1 3.74Å; F1113-L1120 HydrophobicContact CE2-CD2 4.12Å; F1113-I1153 HydrophobicContact CD1-CD1 3.5Å; F1113-I1153 HydrophobicContact CE1-CD1 3.77Å; F1113-I1153 HydrophobicContact CG-CD1 4.37Å; F1113-L1170 HydrophobicContact CE2-CD2 4.41Å; F1113-L1170 HydrophobicContact CZ-CD2 3.99Å; F1113-V1172 HydrophobicContact CE1-CG1 4.34Å; F1113-V1172 HydrophobicContact CE1-CG2 4.26Å; F1113-V1172 HydrophobicContact CE2-CG2 4.4Å; F1113-V1172 HydrophobicContact CZ-CG1 4.35Å; F1113-V1172 HydrophobicContact CZ-CG2 3.56Å; F1113-F1181 HydrophobicContact CE2-CE2 4.24Å
1114T87.7Confident88.1Confident41 Ų4132.6 Ų32.625%0.25216%0.163SC..G310 helixtrans-59.9-28.2177.844.10000114.9H1112 L1116 P1150 I1153H1112-T1114 PolarHBondContact O-N 3.14Å; T1114-L1116 PolarHBondContact O-N 3.43Å; T1114-P1150 WeakPolarHBondContact O-CB 3.35Å; T1114-I1153 HydrophobicContact CG2-CD1 4.23Å
1115D86.6Confident87.1Confident36 Ų3635.7 Ų35.719%0.19320%0.2CC..G310 helixtrans-72.8-12.5175.1-94.6-43.3000113.4H1112 F1113 H1794H1112-D1115 PolarHBondContact O-N 2.82Å; F1113-D1115 VanDerWaalsContact C-N 3.3Å; F1113-D1115 PolarHBondContact O-N 2.7Å; D1115-H1794 PolarHBondContact O-N 2.89Å; D1115-H1794 IonicContact OD1-CD2 2.78Å
1116L90.8Very high86Confident2 Ų236.5 Ų36.51%0.0120%0.204CC..  trans51.259.3-175.8-56.8170.6000112.3F1113 T1114 V1172 T1174 A1179 F1181 R1208F1113-L1116 PolarHBondContact O-N 3.04Å; T1114-L1116 PolarHBondContact O-N 3.43Å; L1116-V1172 HydrophobicContact CD2-CB 4.43Å; L1116-V1172 HydrophobicContact CD2-CG1 4.02Å; L1116-T1174 HydrophobicContact CD1-CG2 3.99Å; L1116-A1179 HydrophobicContact CD1-CB 4.02Å; L1116-A1179 HydrophobicContact CD2-CB 4.3Å; L1116-F1181 HydrophobicContact CB-CZ 4.32Å; L1116-F1181 HydrophobicContact CD2-CE2 4.02Å; L1116-F1181 HydrophobicContact CD2-CZ 4.24Å; L1116-R1208 PolarHBondContact O-NH1 3Å
1117P90Very high84.2Confident36 Ų3637.4 Ų37.423%0.23421%0.214CC..  trans-64.4162.9-175.128.5-35.8000112.7M1119 L1120 F1181P1117-M1119 VanDerWaalsContact C-N 3.27Å; P1117-M1119 PolarHBondContact O-N 2.77Å; P1117-L1120 HydrophobicContact CG-CD2 3.97Å; P1117-F1181 WeakPolarHBondContact O-CE1 3.18Å
1118Q87.3Confident82.4Confident68 Ų6842 Ų4232%0.31825%0.246SC..SBendtrans-66.9-26.3-173-165.962.215.900114R1208Q1118-R1208 PolarHBondContact NE2-O 2.9Å; Q1118-R1208 WeakPolarHBondContact O-CB 3.38Å; Q1118-R1208 PolarHBondContact O-N 3.39Å
1119M87.9Confident80.4Confident41 Ų4149.1 Ų49.120%0.20228%0.279CS..EExtended strand (participates in β ladder)trans-137.8131.9177.2-65.4-64.1-56.800109.7P1117 R1205 W1206 R1207P1117-M1119 VanDerWaalsContact C-N 3.27Å; P1117-M1119 PolarHBondContact O-N 2.77Å; M1119-R1205 HydrophobicContact CE-CB 3.69Å; M1119-R1205 HydrophobicContact CE-CG 4.48Å; M1119-W1206 CarbonylContact C-O 3.59Å; M1119-W1206 VanDerWaalsContact CA-O 3.29Å; M1119-W1206 WeakPolarHBondContact CA-O 3.46Å; M1119-R1207 HydrophobicContact CE-CB 4.22Å; M1119-R1207 HydrophobicContact SD-CB 3.78Å; M1119-R1207 HydrophobicContact SD-CG 4.03Å
1120L90.2Very high78.2Confident1 Ų152.2 Ų52.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-90.5140.4166.3-43-178000109.5L1096 Y1108 V1110 F1113 P1117 L1170 F1181 R1205 W1206L1096-L1120 HydrophobicContact CD2-CD1 4.23Å; Y1108-L1120 PolarHBondContact OH-O 2.91Å; V1110-L1120 HydrophobicContact CG1-CB 4.4Å; V1110-L1120 HydrophobicContact CG1-CD2 4.37Å; V1110-L1120 HydrophobicContact CG2-CB 4.33Å; F1113-L1120 HydrophobicContact CD2-CD1 4.22Å; F1113-L1120 HydrophobicContact CD2-CD2 3.97Å; F1113-L1120 HydrophobicContact CE2-CD1 3.74Å; F1113-L1120 HydrophobicContact CE2-CD2 4.12Å; P1117-L1120 HydrophobicContact CG-CD2 3.97Å; L1120-L1170 HydrophobicContact CD1-CD2 4.4Å; L1120-F1181 HydrophobicContact CD1-CD1 3.91Å; L1120-F1181 HydrophobicContact CD1-CE1 4.25Å; L1120-F1181 HydrophobicContact CD1-CG 4.15Å; L1120-F1181 HydrophobicContact CD2-CD1 4.11Å; L1120-F1181 HydrophobicContact CD2-CE1 3.68Å; L1120-F1181 HydrophobicContact CD2-CZ 4.21Å; L1120-F1181 HydrophobicContact CG-CD1 3.76Å; L1120-F1181 HydrophobicContact CG-CE1 3.87Å; L1120-F1181 HydrophobicContact CG-CG 4.5Å; L1120-R1205 WeakPolarHBondContact O-CA 3.31Å; L1120-R1205 WeakPolarHBondContact O-CB 3.46Å; L1120-W1206 HydrophobicContact CB-CB 3.91Å; L1120-W1206 HydrophobicContact CB-CG 4.36Å; L1120-W1206 HydrophobicContact CD1-CB 3.86Å; L1120-W1206 HydrophobicContact CD1-CG 4.16Å; L1120-W1206 HydrophobicContact CG-CB 3.91Å; L1120-W1206 PolarHBondContact N-O 2.86Å; L1120-W1206 PolarHBondContact O-N 3.25Å; L1120-W1206 VanDerWaalsContact O-N 3.11Å
1121I86.1Confident76Confident82 Ų8253 Ų5342%0.42130%0.298SS..EExtended strand (participates in β ladder)trans-141.1145.7-176.5-54.2179.3000108.1Y1108 H1123Y1108-I1121 WeakPolarHBondContact OH-CA 3.27Å; I1121-H1123 PolarHBondContact O-CE1 2.87Å; I1121-H1123 VanDerWaalsContact O-CE1 3.27Å; I1121-H1123 PolarHBondContact O-ND1 3.46Å
1122D86.3Confident73.7Confident13 Ų1357.4 Ų57.47%0.0732%0.318CS..  trans-68.5123.6177.2-17021.1000112.3Y1108 E1109 R1124Y1108-D1122 HydrophobicContact CD2-CB 3.83Å; Y1108-D1122 HydrophobicContact CE2-CB 3.62Å; Y1108-D1122 HydrophobicContact CG-CB 4.38Å; Y1108-D1122 PolarHBondContact OH-N 2.95Å; E1109-D1122 PolarHBondContact N-OD1 3.07Å; E1109-D1122 VanDerWaalsContact N-OD1 3.08Å; E1109-D1122 WeakPolarHBondContact O-CA 3.19Å; D1122-R1124 VanDerWaalsContact OD1-CG 3.28Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.4Å; D1122-R1124 PolarHBondContact OD1-N 2.62Å; D1122-R1124 IonicContact OD1-NE 3.62Å; D1122-R1124 PolarHBondContact OD1-NE 3.4Å; D1122-R1124 IonicContact OD2-CZ 3.53Å; D1122-R1124 VanDerWaalsContact OD2-CZ 3.28Å; D1122-R1124 IonicContact OD2-NE 3.73Å; D1122-R1124 PolarHBondContact OD2-NE 2.82Å; D1122-R1124 IonicContact OD2-NH2 2.75Å; D1122-R1124 PolarHBondContact OD2-NH2 2.88Å
1123H84.3Confident71.5Confident42 Ų4260.5 Ų60.519%0.19433%0.331CS..  trans-102.1-4.6-178.3-70.179.8000114.2E1109 H1111 I1121 G1125 V1126E1109-H1123 PolarHBondContact O-N 2.83Å; H1111-H1123 AromaticContact CD2-CD2 3.71Å; H1111-H1123 AromaticContact CD2-CG 3.65Å; I1121-H1123 PolarHBondContact O-CE1 2.87Å; I1121-H1123 VanDerWaalsContact O-CE1 3.27Å; I1121-H1123 PolarHBondContact O-ND1 3.46Å; H1123-G1125 PolarHBondContact O-N 2.98Å; H1123-V1126 WeakPolarHBondContact O-CB 3.34Å; H1123-V1126 WeakPolarHBondContact O-CG2 3.17Å; H1123-V1126 PolarHBondContact O-N 2.74Å
1124R80.3Confident68.9Low64 Ų6467 Ų6724%0.24236%0.361CS..THydrogen-bonded Turntrans-50116.4-176-70177.2-56.7143.515.3111.7C961 L1106 L1107 E1109 D1122C961-R1124 PolarHBondContact O-NH2 2.88Å; L1106-R1124 HydrophobicContact CD2-CG 4.46Å; L1106-R1124 PolarHBondContact O-NH1 3.4Å; L1106-R1124 VanDerWaalsContact O-NH1 3.09Å; L1107-R1124 VanDerWaalsContact C-CZ 3.47Å; L1107-R1124 PolarHBondContact O-NE 3.07Å; L1107-R1124 PolarHBondContact O-NH1 2.97Å; L1107-R1124 PolarHBondContact O-NH2 3.11Å; E1109-R1124 HydrophobicContact CB-CG 3.46Å; E1109-R1124 VanDerWaalsContact CB-CG 3.46Å; E1109-R1124 WeakPolarHBondContact OE2-CG 3.36Å; D1122-R1124 VanDerWaalsContact OD1-CG 3.28Å; D1122-R1124 WeakPolarHBondContact OD1-CG 3.4Å; D1122-R1124 PolarHBondContact OD1-N 2.62Å; D1122-R1124 IonicContact OD1-NE 3.62Å; D1122-R1124 PolarHBondContact OD1-NE 3.4Å; D1122-R1124 IonicContact OD2-CZ 3.53Å; D1122-R1124 VanDerWaalsContact OD2-CZ 3.28Å; D1122-R1124 IonicContact OD2-NE 3.73Å; D1122-R1124 PolarHBondContact OD2-NE 2.82Å; D1122-R1124 IonicContact OD2-NH2 2.75Å; D1122-R1124 PolarHBondContact OD2-NH2 2.88Å
1125G66.7Low66.5Low83 Ų8371.1 Ų71.186%0.85637%0.373SS*.THydrogen-bonded Turntrans95.5-0.2178.800000116.3H1123H1123-G1125 PolarHBondContact O-N 2.98Å
1126V65.8Low64Low56 Ų5672.1 Ų72.134%0.33938%0.38SS..  trans-78.5137168.9-179.70000109.7H1123 L1131H1123-V1126 WeakPolarHBondContact O-CB 3.34Å; H1123-V1126 WeakPolarHBondContact O-CG2 3.17Å; H1123-V1126 PolarHBondContact O-N 2.74Å; V1126-L1131 HydrophobicContact CG1-CD1 4.04Å; V1126-L1131 HydrophobicContact CG1-CG 3.98Å
1127S53.8Low61.2Low58 Ų5879.6 Ų79.641%0.40642%0.42SS..  trans-85140.2177.463.80000112.5E1129 Q1130S1127-E1129 PolarHBondContact O-N 2.97Å; S1127-E1129 VanDerWaalsContact O-N 3.11Å; S1127-Q1130 PolarHBondContact O-N 2.88Å
1128S50.1Low58.6Low95 Ų9581.1 Ų81.166%0.66443%0.432SS*.Hα-helixtrans-56.2-32.3-174.2-42.60000113.9Q1130 L1131 H1132S1128-Q1130 VanDerWaalsContact C-N 3.28Å; S1128-Q1130 PolarHBondContact O-N 3.44Å; S1128-L1131 PolarHBondContact O-N 2.56Å; S1128-H1132 PolarHBondContact O-N 3.2Å
1129E47.1Very low55.9Low152 Ų15284.3 Ų84.371%0.7145%0.447SS*.Hα-helixtrans-63.4-27.5176.6-61.9-171153.800114.2S1127S1127-E1129 PolarHBondContact O-N 2.97Å; S1127-E1129 VanDerWaalsContact O-N 3.11Å
1130Q45.6Very low53.2Low105 Ų10590.2 Ų90.249%0.49148%0.479SS..Hα-helixtrans-79.5-38.7179.8-67.4-172.4-4.200111.3S1127 S1128 H1132 K1133S1127-Q1130 PolarHBondContact O-N 2.88Å; S1128-Q1130 VanDerWaalsContact C-N 3.28Å; S1128-Q1130 PolarHBondContact O-N 3.44Å; Q1130-H1132 PolarHBondContact O-N 2.7Å; Q1130-K1133 PolarHBondContact O-N 3.23Å
1131L45.8Very low50.7Low19 Ų1995 Ų9510%0.09951%0.508CS..Hα-helixtrans-61.8-42.2178.7-75.1156.9000112.1H1111 V1126 S1128 K1133 Q1134H1111-L1131 WeakPolarHBondContact CD2-CD1 3.13Å; V1126-L1131 HydrophobicContact CG1-CD1 4.04Å; V1126-L1131 HydrophobicContact CG1-CG 3.98Å; S1128-L1131 PolarHBondContact O-N 2.56Å; L1131-K1133 PolarHBondContact O-N 3.4Å; L1131-K1133 VanDerWaalsContact O-N 3.17Å; L1131-Q1134 PolarHBondContact O-N 3.33Å
1132H40.3Very low48.2Very low131 Ų13196.6 Ų96.661%0.60653%0.527SS*.Hα-helixtrans-60.1-26.5177.5-107.768.7000113.8S1128 Q1130 T1136S1128-H1132 PolarHBondContact O-N 3.2Å; Q1130-H1132 PolarHBondContact O-N 2.7Å; H1132-T1136 VanDerWaalsContact O-CG2 3.24Å; H1132-T1136 WeakPolarHBondContact O-CG2 3.32Å; H1132-T1136 PolarHBondContact O-N 2.93Å; H1132-T1136 PolarHBondContact O-OG1 2.9Å
1133K38.2Very low46Very low145 Ų145101.2 Ų101.263%0.6354%0.544SS*.Hα-helixtrans-79.2-16.8-179-76.9172.2178.3160.30114.6Q1130 L1131Q1130-K1133 PolarHBondContact O-N 3.23Å; L1131-K1133 PolarHBondContact O-N 3.4Å; L1131-K1133 VanDerWaalsContact O-N 3.17Å
1134Q36.6Very low44.3Very low137 Ų137104.1 Ų104.164%0.6457%0.565SS**Hα-helixtrans-79.7-29.9174.6-80.2-172.8-30.700112.8L1131L1131-Q1134 PolarHBondContact O-N 3.33Å
1135Y37.5Very low42.9Very low128 Ų128109.1 Ų109.150%0.50259%0.591SS.*Hα-helixtrans-95.2-32.3-178-71.5-83.7000114.3N1137 S1138Y1135-N1137 PolarHBondContact O-N 2.84Å; Y1135-N1137 VanDerWaalsContact O-N 3.16Å; Y1135-S1138 PolarHBondContact O-N 3.41Å; Y1135-S1138 PolarHBondContact O-OG 2.78Å
1136T33.1Very low42.3Very low56 Ų56112.4 Ų112.434%0.34459%0.589SS.*G310 helixtrans-62.1-23.2-177.643.90000114.9H1132 S1138 Q1139H1132-T1136 VanDerWaalsContact O-CG2 3.24Å; H1132-T1136 WeakPolarHBondContact O-CG2 3.32Å; H1132-T1136 PolarHBondContact O-N 2.93Å; H1132-T1136 PolarHBondContact O-OG1 2.9Å; T1136-S1138 PolarHBondContact O-N 3.5Å; T1136-Q1139 PolarHBondContact O-N 2.95Å
1137N32.6Very low41.7Very low159 Ų159113.2 Ų113.285%0.8559%0.591SS**G310 helixtrans-64.6-1.3171.4-86.6-23.2000114.1Y1135Y1135-N1137 PolarHBondContact O-N 2.84Å; Y1135-N1137 VanDerWaalsContact O-N 3.16Å
1138S36Very low42.2Very low69 Ų69112.4 Ų112.448%0.48359%0.586SS.*G310 helixtrans-104.2-6.417269.40000114.5Y1135 T1136 N1140Y1135-S1138 PolarHBondContact O-N 3.41Å; Y1135-S1138 PolarHBondContact O-OG 2.78Å; T1136-S1138 PolarHBondContact O-N 3.5Å; S1138-N1140 PolarHBondContact O-N 2.94Å
1139Q29.9Very low43.6Very low134 Ų134113.8 Ų113.863%0.62658%0.584SS**  trans-86.165.3-173.5-69.1-175.8-22.700113.3T1136T1136-Q1139 PolarHBondContact O-N 2.95Å
1140N30.8Very low45.3Very low165 Ų165108 Ų10888%0.88256%0.56SS**  trans-133.535.4171.9-116.1-30.9000112.5S1138S1138-N1140 PolarHBondContact O-N 2.94Å
1141V37.2Very low47.2Very low101 Ų101103.3 Ų103.361%0.61254%0.538SS*.SBendtrans-139.9136.5172.3-174.80000108.1Y1143V1141-Y1143 WeakPolarHBondContact O-CD2 3.34Å; V1141-Y1143 VanDerWaalsContact O-CE2 3.23Å; V1141-Y1143 WeakPolarHBondContact O-CE2 3.49Å
1142S34.2Very low49.2Very low116 Ų116105.9 Ų105.981%0.81156%0.556SS**PPolyproline II helixtrans-71.9123.7172.5540000110.8
1143Y41Very low51.6Low111 Ų11199.9 Ų99.944%0.43553%0.529SS..PPolyproline II helixtrans-89.5146.3175.7-66.5-106.5000110.3V1141 K1802V1141-Y1143 WeakPolarHBondContact O-CD2 3.34Å; V1141-Y1143 VanDerWaalsContact O-CE2 3.23Å; V1141-Y1143 WeakPolarHBondContact O-CE2 3.49Å; Y1143-K1802 VanDerWaalsContact CE1-NZ 3.32Å
1144T46.7Very low54.2Low103 Ų10395.5 Ų95.563%0.63251%0.512SS*.PPolyproline II helixtrans-86121.4158.843.50000107.5D1146 D1147 S1148T1144-D1146 PolarHBondContact O-N 3.3Å; T1144-D1147 PolarHBondContact O-N 2.82Å; T1144-S1148 PolarHBondContact O-OG 3.36Å
1145E52.5Low56.9Low168 Ų16889.9 Ų89.979%0.78549%0.486SS*.G310 helixtrans-59.2-46.2-157.4-63.9173.9141.900113.2D1147 S1148E1145-D1147 PolarHBondContact O-N 3.26Å; E1145-S1148 WeakPolarHBondContact O-CB 3.41Å; E1145-S1148 PolarHBondContact O-N 2.97Å; E1145-S1148 PolarHBondContact O-OG 2.88Å
1146D53.1Low59.6Low152 Ų15284.2 Ų84.281%0.81346%0.464SS*.G310 helixtrans-57.1-39.6-177.9-58.9-42.8000114.6T1144 S1148T1144-D1146 PolarHBondContact O-N 3.3Å; D1146-S1148 PolarHBondContact O-N 2.94Å
1147D54Low62.6Low74 Ų7482.8 Ų82.840%0.39645%0.454SS..G310 helixtrans-80.33.6-170.9-124.920.7000112.4T1144 E1145 L1798T1144-D1147 PolarHBondContact O-N 2.82Å; E1145-D1147 PolarHBondContact O-N 3.26Å; D1147-L1798 VanDerWaalsContact O-CD2 3.22Å; D1147-L1798 WeakPolarHBondContact O-CD2 3.34Å
1148S63.7Low65.6Low41 Ų4175.6 Ų75.629%0.28742%0.416SS..G310 helixtrans-100-13.9-174.1-32.80000114.2T1144 E1145 D1146T1144-S1148 PolarHBondContact O-OG 3.36Å; E1145-S1148 WeakPolarHBondContact O-CB 3.41Å; E1145-S1148 PolarHBondContact O-N 2.97Å; E1145-S1148 PolarHBondContact O-OG 2.88Å; D1146-S1148 PolarHBondContact O-N 2.94Å
1149I79.2Confident68.3Low123 Ų12372.8 Ų72.863%0.63140%0.395SS*.PPolyproline II helixtrans-91.6123-165.1-54.7178000109.7
1150P83.7Confident71.3Confident31 Ų3167 Ų6720%0.20137%0.369CS..PPolyproline II helixtrans-64.8147.817726.5-33.7000111.5T1114 H1794T1114-P1150 WeakPolarHBondContact O-CB 3.35Å; P1150-H1794 HydrophobicContact CB-CB 4.39Å
1151P84.5Confident74Confident6 Ų659.2 Ų59.24%0.03933%0.327CS..PPolyproline II helixtrans-63.2134.8-178.726.9-34.4000110.6Q1176P1151-Q1176 HydrophobicContact CB-CB 4.45Å; P1151-Q1176 HydrophobicContact CB-CG 4.02Å
1152P88Confident76.2Confident74 Ų7454.4 Ų54.448%0.48130%0.298SS..PPolyproline II helixtrans-62.4141.5-177.124.9-34.8000111.7T1174 S1175P1152-T1174 VanDerWaalsContact O-CA 3.23Å; P1152-T1174 WeakPolarHBondContact O-CA 3.32Å; P1152-T1174 WeakPolarHBondContact O-CB 3.37Å; P1152-S1175 PolarHBondContact O-N 3.09Å
1153I91.8Very high78.3Confident4 Ų450.8 Ų50.82%0.02127%0.27CS..EExtended strand (participates in β ladder)trans-74.5134.1168.1-60.9171000107.5V1090 F1113 T1114 I1156 V1172 T1174V1090-I1153 HydrophobicContact CG1-CD1 4.2Å; F1113-I1153 HydrophobicContact CD1-CD1 3.5Å; F1113-I1153 HydrophobicContact CE1-CD1 3.77Å; F1113-I1153 HydrophobicContact CG-CD1 4.37Å; T1114-I1153 HydrophobicContact CG2-CD1 4.23Å; I1153-I1156 HydrophobicContact CG2-CG2 4.19Å; I1153-V1172 HydrophobicContact CD1-CG1 4.2Å; I1153-V1172 HydrophobicContact CG1-CG1 4.04Å; I1153-V1172 HydrophobicContact CG2-CG1 3.87Å; I1153-T1174 HydrophobicContact CG1-CG2 4.38Å
1154L91.8Very high80.2Confident53 Ų5347.9 Ų47.928%0.27726%0.261SS..EExtended strand (participates in β ladder)trans-114.6-31.2-177.5-56.7177.5000112.3R1173 L1235L1154-R1173 HydrophobicContact CB-CG 4.4Å; L1154-R1173 PolarHBondContact N-O 2.84Å; L1154-L1235 HydrophobicContact CD1-CD2 3.81Å
1155E93.1Very high82Confident20 Ų2045.1 Ų45.19%0.09324%0.241CC..EExtended strand (participates in β ladder)trans-160.2144.3-173.8-173.9177.5-178.900110.2R1173 H1239 M1240 L1241E1155-R1173 HydrophobicContact CB-CB 4.13Å; E1155-R1173 HydrophobicContact CB-CG 4.46Å; E1155-R1173 PolarHBondContact N-O 2.94Å; E1155-R1173 PolarHBondContact O-N 2.8Å; E1155-R1173 WeakPolarHBondContact OE2-CD 3.23Å; E1155-R1173 IonicContact OE2-NE 3.06Å; E1155-H1239 VanDerWaalsContact OE1-C 3.26Å; E1155-H1239 WeakPolarHBondContact OE1-CA 3.28Å; E1155-M1240 VanDerWaalsContact CD-N 3.33Å; E1155-M1240 PolarHBondContact OE1-N 2.85Å; E1155-M1240 WeakPolarHBondContact OE2-CB 3.44Å; E1155-M1240 PolarHBondContact OE2-N 3.36Å; E1155-L1241 HydrophobicContact CG-CD1 4.12Å; E1155-L1241 HydrophobicContact CG-CG 4.2Å; E1155-L1241 WeakPolarHBondContact OE1-CB 3.4Å; E1155-L1241 PolarHBondContact OE1-N 2.86Å; E1155-L1241 PolarHBondContact OE2-N 3.2Å
1156I95.5Very high83.4Confident9 Ų937.6 Ų37.65%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-127.2150.2171.158.2156.5000110.9F1088 V1090 I1153 L1170 M1171 V1172F1088-I1156 HydrophobicContact CB-CD1 3.85Å; V1090-I1156 HydrophobicContact CG2-CD1 4.07Å; V1090-I1156 HydrophobicContact CG2-CG2 4.07Å; I1153-I1156 HydrophobicContact CG2-CG2 4.19Å; I1156-L1170 HydrophobicContact CB-CD1 4.12Å; I1156-L1170 HydrophobicContact CD1-CD1 4.44Å; I1156-L1170 HydrophobicContact CG2-CD1 4.44Å; I1156-M1171 WeakPolarHBondContact CA-O 3.44Å; I1156-V1172 HydrophobicContact CG2-CB 4.47Å; I1156-V1172 HydrophobicContact CG2-CG1 4.15Å; I1156-V1172 HydrophobicContact CG2-CG2 4.28Å
1157L95.7Very high85Confident26 Ų2631.2 Ų31.214%0.13617%0.17CC..EExtended strand (participates in β ladder)trans-146.9134.2175.3176.363.4000109.5M1171 L1241 V1253L1157-M1171 PolarHBondContact N-O 3.13Å; L1157-M1171 WeakPolarHBondContact O-CB 3.27Å; L1157-M1171 PolarHBondContact O-N 3.02Å; L1157-L1241 HydrophobicContact CB-CB 4.3Å; L1157-L1241 HydrophobicContact CB-CD1 3.91Å; L1157-L1241 HydrophobicContact CD2-CB 3.93Å; L1157-V1253 HydrophobicContact CD2-CB 4.48Å; L1157-V1253 HydrophobicContact CD2-CG1 3.81Å; L1157-V1253 HydrophobicContact CD2-CG2 3.75Å
1158V95.2Very high86.8Confident8 Ų827.7 Ų27.75%0.04815%0.151CC..EExtended strand (participates in β ladder)trans-103.1122.6171.4-174.30000109.6S945 Y947 F1088 P1168 V1169 L1170S945-V1158 PolarHBondContact OG-N 3.43Å; Y947-V1158 HydrophobicContact CD1-CG1 4.32Å; Y947-V1158 HydrophobicContact CD2-CB 3.84Å; Y947-V1158 HydrophobicContact CD2-CG1 3.53Å; Y947-V1158 HydrophobicContact CE2-CG1 3.9Å; Y947-V1158 HydrophobicContact CG-CB 4.08Å; Y947-V1158 HydrophobicContact CG-CG1 3.78Å; F1088-V1158 HydrophobicContact CD1-CG2 3.91Å; F1088-V1158 HydrophobicContact CD2-CG2 3.8Å; F1088-V1158 HydrophobicContact CE1-CG2 3.95Å; F1088-V1158 HydrophobicContact CE2-CG2 3.88Å; F1088-V1158 HydrophobicContact CG-CG2 3.85Å; F1088-V1158 HydrophobicContact CZ-CG1 4.48Å; F1088-V1158 HydrophobicContact CZ-CG2 3.95Å; V1158-P1168 HydrophobicContact CG1-CB 4.04Å; V1158-V1169 WeakPolarHBondContact CA-O 3.27Å; V1158-L1170 HydrophobicContact CG2-CB 4.34Å; V1158-L1170 HydrophobicContact CG2-CD1 3.85Å
1159Y93.5Very high88.2Confident9 Ų925.8 Ų25.84%0.03514%0.138CC..EExtended strand (participates in β ladder)trans-130.7135.2-175.8-171.9-88.5000111.9I1161 V1169 F1244 G1252 V1253 A1265Y1159-I1161 HydrophobicContact CD1-CG2 4.36Å; Y1159-V1169 PolarHBondContact N-O 2.81Å; Y1159-V1169 PolarHBondContact O-N 3.33Å; Y1159-F1244 PolarHBondContact OH-O 3.02Å; Y1159-G1252 WeakPolarHBondContact CE2-O 3.45Å; Y1159-G1252 PolarHBondContact OH-N 3.33Å; Y1159-G1252 VanDerWaalsContact OH-N 3.09Å; Y1159-V1253 HydrophobicContact CD1-CG2 4.46Å; Y1159-V1253 HydrophobicContact CD2-CG2 3.72Å; Y1159-V1253 HydrophobicContact CE2-CG2 4.31Å; Y1159-V1253 HydrophobicContact CG-CG2 3.82Å; Y1159-A1265 HydrophobicContact CD1-CB 4.45Å; Y1159-A1265 HydrophobicContact CE1-CB 3.74Å
1160P91.5Very high89Confident12 Ų1219.9 Ų19.98%0.07811%0.108CC..EExtended strand (participates in β ladder)trans-90.5125.2-177.933.7-31.3000113.5Y947 K1165 R1251Y947-P1160 HydrophobicContact CE2-CB 4.49Å; Y947-P1160 HydrophobicContact CE2-CG 4.45Å; P1160-K1165 HydrophobicContact CB-CB 3.87Å; P1160-K1165 WeakPolarHBondContact CB-O 3.42Å; P1160-K1165 HydrophobicContact CG-CB 4.03Å; P1160-K1165 HydrophobicContact CG-CD 4.3Å; P1160-K1165 HydrophobicContact CG-CG 4.32Å; P1160-R1251 PolarHBondContact O-NH2 2.8Å
1161I89.2Confident89.6Confident2 Ų218.4 Ų18.41%0.0110%0.098CC..EExtended strand (participates in β ladder)trans-100168.4174.273.3173.8000111.7Y1159 R1167 V1169 A1265 L1271Y1159-I1161 HydrophobicContact CD1-CG2 4.36Å; I1161-R1167 HydrophobicContact CG1-CB 3.81Å; I1161-R1167 WeakPolarHBondContact CG1-O 3.46Å; I1161-R1167 PolarHBondContact N-O 2.92Å; I1161-R1167 PolarHBondContact O-N 3.34Å; I1161-V1169 HydrophobicContact CD1-CG2 3.89Å; I1161-V1169 HydrophobicContact CG1-CG2 4.06Å; I1161-V1169 HydrophobicContact CG2-CG2 4.06Å; I1161-A1265 HydrophobicContact CB-CB 4.24Å; I1161-A1265 HydrophobicContact CG2-CB 3.79Å; I1161-L1271 HydrophobicContact CG2-CD1 4.43Å
1162G81.7Confident90.1Very high1 Ų118.1 Ų18.11%0.0110%0.097CC..SBendtrans82.6154.7-177.400000113.5D1164 K1165 R1251 D1267G1162-D1164 PolarHBondContact O-N 3.38Å; G1162-K1165 PolarHBondContact O-N 2.93Å; G1162-R1251 VanDerWaalsContact O-CZ 3.28Å; G1162-R1251 PolarHBondContact O-NH1 3.34Å; G1162-R1251 PolarHBondContact O-NH2 3.39Å; G1162-D1267 WeakPolarHBondContact CA-O 3.27Å
1163I79.2Confident90.4Very high40 Ų4015.2 Ų15.221%0.2058%0.076CC..THydrogen-bonded Turntrans-39.8-68.4-177.8-68130.8000111.8R64 K1165 R1251 D1267R64-I1163 HydrophobicContact CB-CD1 3.89Å; I1163-K1165 PolarHBondContact O-N 3.27Å; I1163-R1251 PolarHBondContact O-NH1 2.83Å; I1163-R1251 VanDerWaalsContact O-NH1 3.1Å; I1163-D1267 HydrophobicContact CD1-CB 4.43Å; I1163-D1267 VanDerWaalsContact CD1-O 3.31Å; I1163-D1267 WeakPolarHBondContact CD1-O 3.41Å; I1163-D1267 HydrophobicContact CG1-CB 3.83Å; I1163-D1267 VanDerWaalsContact CG1-O 3.27Å; I1163-D1267 WeakPolarHBondContact CG1-O 3.21Å; I1163-D1267 PolarHBondContact N-O 3.43Å
1164D79.8Confident90.4Very high49 Ų4915.1 Ų15.126%0.2628%0.075SC..THydrogen-bonded Turntrans-80.421.2-173.2-36.3-84000113.9K56 S58 A59 G1162 D1166K56-D1164 VanDerWaalsContact CE-OD2 3.3Å; K56-D1164 WeakPolarHBondContact CE-OD2 3.48Å; K56-D1164 IonicContact NZ-OD2 3.03Å; K56-D1164 PolarHBondContact NZ-OD2 3.16Å; S58-D1164 WeakPolarHBondContact CA-OD1 3.39Å; A59-D1164 PolarHBondContact N-OD1 2.95Å; G1162-D1164 PolarHBondContact O-N 3.38Å; D1164-D1166 PolarHBondContact O-N 3.32Å
1165K84.6Confident90.2Very high46 Ų4614.4 Ų14.420%0.28%0.075CC..SBendtrans53.533.9-176.3-60.2-172.7-176.6-171.40113P1160 G1162 I1163 E1245P1160-K1165 HydrophobicContact CB-CB 3.87Å; P1160-K1165 WeakPolarHBondContact CB-O 3.42Å; P1160-K1165 HydrophobicContact CG-CB 4.03Å; P1160-K1165 HydrophobicContact CG-CD 4.3Å; P1160-K1165 HydrophobicContact CG-CG 4.32Å; G1162-K1165 PolarHBondContact O-N 2.93Å; I1163-K1165 PolarHBondContact O-N 3.27Å; K1165-E1245 IonicContact NZ-OE1 2.74Å; K1165-E1245 PolarHBondContact NZ-OE1 2.81Å; K1165-E1245 IonicContact NZ-OE2 3.79Å; K1165-E1245 PolarHBondContact NZ-OE2 3.34Å
1166D81.9Confident90Very high10 Ų1016 Ų165%0.0538%0.082CC..  trans-93.5-0.4-164.777.9-25.1000115.7K56 R953 D1164K56-D1166 IonicContact NZ-OD2 2.99Å; K56-D1166 PolarHBondContact NZ-OD2 3.38Å; R953-D1166 WeakPolarHBondContact CD-O 3.49Å; R953-D1166 IonicContact CZ-OD2 3.99Å; R953-D1166 PolarHBondContact NH1-O 2.82Å; R953-D1166 IonicContact NH1-OD1 3.38Å; R953-D1166 IonicContact NH1-OD2 2.63Å; R953-D1166 PolarHBondContact NH1-OD2 3.08Å; D1164-D1166 PolarHBondContact O-N 3.32Å
1167R86.9Confident89.8Confident17 Ų1715.8 Ų15.86%0.0648%0.081CC..EExtended strand (participates in β ladder)trans-128.396-178.5-75.6164.962.3-160.4-7.7111N66 W67 I1161 E1182 G1269N66-R1167 PolarHBondContact OD1-NH1 3.06Å; W67-R1167 PolarHBondContact O-NH1 2.88Å; I1161-R1167 HydrophobicContact CG1-CB 3.81Å; I1161-R1167 WeakPolarHBondContact CG1-O 3.46Å; I1161-R1167 PolarHBondContact N-O 2.92Å; I1161-R1167 PolarHBondContact O-N 3.34Å; R1167-E1182 IonicContact CZ-OE1 2.75Å; R1167-E1182 IonicContact NE-OE1 3.93Å; R1167-E1182 PolarHBondContact NE-OE1 3.31Å; R1167-E1182 IonicContact NH2-OE1 3.77Å; R1167-E1182 PolarHBondContact NH2-OE1 2.97Å; R1167-G1269 VanDerWaalsContact CZ-O 3.29Å; R1167-G1269 PolarHBondContact NH1-O 3.4Å; R1167-G1269 PolarHBondContact NH2-O 2.92Å
1168P91.7Very high89.7Confident0 Ų014.7 Ų14.70%08%0.075CC..EExtended strand (participates in β ladder)trans-73134.6177.621.7-23.8000112.2Y947 L954 V1158 A1183Y947-P1168 HydrophobicContact CE1-CB 4.26Å; Y947-P1168 HydrophobicContact CE2-CB 4.44Å; L954-P1168 HydrophobicContact CB-CG 4.14Å; L954-P1168 HydrophobicContact CD2-CG 4.09Å; L954-P1168 HydrophobicContact CG-CG 4.47Å; V1158-P1168 HydrophobicContact CG1-CB 4.04Å; P1168-A1183 HydrophobicContact CG-CB 3.81Å; P1168-A1183 PolarHBondContact O-N 2.96Å
1169V93.9Very high89.6Confident1 Ų114.4 Ų14.41%0.0067%0.074CC..EExtended strand (participates in β ladder)trans-118120174-179.50000109.2V1158 Y1159 I1161 F1180 F1181 E1182 L1209V1158-V1169 WeakPolarHBondContact CA-O 3.27Å; Y1159-V1169 PolarHBondContact N-O 2.81Å; Y1159-V1169 PolarHBondContact O-N 3.33Å; I1161-V1169 HydrophobicContact CD1-CG2 3.89Å; I1161-V1169 HydrophobicContact CG1-CG2 4.06Å; I1161-V1169 HydrophobicContact CG2-CG2 4.06Å; V1169-F1180 HydrophobicContact CG1-CB 4.16Å; V1169-F1180 HydrophobicContact CG1-CD1 4.47Å; V1169-F1181 CarbonylContact C-O 3.6Å; V1169-F1181 VanDerWaalsContact CA-O 3.3Å; V1169-F1181 WeakPolarHBondContact CA-O 3.26Å; V1169-E1182 HydrophobicContact CG2-CB 4.49Å; V1169-L1209 HydrophobicContact CG1-CD1 4.45Å
1170L95.6Very high89.7Confident0 Ų014 Ų140%07%0.072CC..EExtended strand (participates in β ladder)trans-80.8114.4169168.363.8000108.9F1088 L1096 F1113 L1120 I1156 V1158 V1172 F1181 W1206F1088-L1170 HydrophobicContact CD1-CD1 4.5Å; L1096-L1170 HydrophobicContact CD2-CD2 3.93Å; F1113-L1170 HydrophobicContact CE2-CD2 4.41Å; F1113-L1170 HydrophobicContact CZ-CD2 3.99Å; L1120-L1170 HydrophobicContact CD1-CD2 4.4Å; I1156-L1170 HydrophobicContact CB-CD1 4.12Å; I1156-L1170 HydrophobicContact CD1-CD1 4.44Å; I1156-L1170 HydrophobicContact CG2-CD1 4.44Å; V1158-L1170 HydrophobicContact CG2-CB 4.34Å; V1158-L1170 HydrophobicContact CG2-CD1 3.85Å; L1170-V1172 HydrophobicContact CD1-CG2 4.47Å; L1170-V1172 HydrophobicContact CG-CG2 4.11Å; L1170-F1181 HydrophobicContact CB-CB 4.15Å; L1170-F1181 PolarHBondContact N-O 2.82Å; L1170-F1181 PolarHBondContact O-N 3.11Å; L1170-W1206 HydrophobicContact CB-CE3 4.06Å; L1170-W1206 HydrophobicContact CB-CZ3 3.89Å
1171M96.4Very high89.8Confident0 Ų013.4 Ų13.40%07%0.069CC..EExtended strand (participates in β ladder)trans-92.8138.1172.2-52-165.4175.600109.6I1156 L1157 A1179 F1180 L1241 V1253 L1263 L1271I1156-M1171 WeakPolarHBondContact CA-O 3.44Å; L1157-M1171 PolarHBondContact N-O 3.13Å; L1157-M1171 WeakPolarHBondContact O-CB 3.27Å; L1157-M1171 PolarHBondContact O-N 3.02Å; M1171-A1179 WeakPolarHBondContact CA-O 3.28Å; M1171-F1180 HydrophobicContact CB-CD1 4.46Å; M1171-F1180 HydrophobicContact CE-CD1 4.38Å; M1171-F1180 HydrophobicContact CE-CE1 4.24Å; M1171-F1180 HydrophobicContact CG-CD1 3.92Å; M1171-F1180 HydrophobicContact CG-CE1 4.12Å; M1171-F1180 HydrophobicContact SD-CD1 4.3Å; M1171-F1180 HydrophobicContact SD-CE1 3.95Å; M1171-L1241 HydrophobicContact CB-CD1 4.41Å; M1171-V1253 HydrophobicContact CE-CB 4.29Å; M1171-V1253 HydrophobicContact CE-CG2 3.83Å; M1171-V1253 HydrophobicContact SD-CB 4.12Å; M1171-V1253 HydrophobicContact SD-CG1 4.28Å; M1171-V1253 HydrophobicContact SD-CG2 3.9Å; M1171-L1263 HydrophobicContact CE-CD1 4.38Å; M1171-L1263 HydrophobicContact SD-CD1 3.87Å; M1171-L1271 HydrophobicContact CE-CD1 4.11Å; M1171-L1271 HydrophobicContact CE-CD2 4.02Å
1172V95.1Very high89.9Confident0 Ų013.6 Ų13.60%07%0.069CC..EExtended strand (participates in β ladder)trans-131.7109.8-177-171.40000109.2F1113 L1116 I1153 I1156 L1170 I1178 A1179 F1181F1113-V1172 HydrophobicContact CE1-CG1 4.34Å; F1113-V1172 HydrophobicContact CE1-CG2 4.26Å; F1113-V1172 HydrophobicContact CE2-CG2 4.4Å; F1113-V1172 HydrophobicContact CZ-CG1 4.35Å; F1113-V1172 HydrophobicContact CZ-CG2 3.56Å; L1116-V1172 HydrophobicContact CD2-CB 4.43Å; L1116-V1172 HydrophobicContact CD2-CG1 4.02Å; I1153-V1172 HydrophobicContact CD1-CG1 4.2Å; I1153-V1172 HydrophobicContact CG1-CG1 4.04Å; I1153-V1172 HydrophobicContact CG2-CG1 3.87Å; I1156-V1172 HydrophobicContact CG2-CB 4.47Å; I1156-V1172 HydrophobicContact CG2-CG1 4.15Å; I1156-V1172 HydrophobicContact CG2-CG2 4.28Å; L1170-V1172 HydrophobicContact CD1-CG2 4.47Å; L1170-V1172 HydrophobicContact CG-CG2 4.11Å; V1172-I1178 CarbonylContact O-C 3.59Å; V1172-I1178 VanDerWaalsContact O-CA 3.3Å; V1172-I1178 WeakPolarHBondContact O-CA 3.05Å; V1172-A1179 HydrophobicContact CB-CB 4.48Å; V1172-A1179 PolarHBondContact N-O 2.78Å; V1172-A1179 PolarHBondContact O-N 3.12Å; V1172-F1181 HydrophobicContact CG2-CD2 3.93Å; V1172-F1181 HydrophobicContact CG2-CE2 3.99Å
1173R94.7Very high90.2Very high13 Ų1313.7 Ų13.75%0.0497%0.07CC..EExtended strand (participates in β ladder)trans-87.8121.3174.3164.9180145.2113.1-3.6109.1L1154 E1155 I1178 L1215 L1234 R1237 L1241L1154-R1173 HydrophobicContact CB-CG 4.4Å; L1154-R1173 PolarHBondContact N-O 2.84Å; E1155-R1173 HydrophobicContact CB-CB 4.13Å; E1155-R1173 HydrophobicContact CB-CG 4.46Å; E1155-R1173 PolarHBondContact N-O 2.94Å; E1155-R1173 PolarHBondContact O-N 2.8Å; E1155-R1173 WeakPolarHBondContact OE2-CD 3.23Å; E1155-R1173 IonicContact OE2-NE 3.06Å; R1173-I1178 HydrophobicContact CB-CG1 4.31Å; R1173-L1215 HydrophobicContact CG-CD1 4.37Å; R1173-L1234 PolarHBondContact NH2-O 2.66Å; R1173-R1237 PolarHBondContact NH2-O 3.38Å; R1173-L1241 HydrophobicContact CB-CD1 4.2Å; R1173-L1241 HydrophobicContact CB-CG 4.48Å
1174T91.8Very high90.1Very high1 Ų113 Ų131%0.0067%0.067CC..EExtended strand (participates in β ladder)trans-104.5179.2166.365.90000110.3L1116 P1152 I1153 Q1176 E1177L1116-T1174 HydrophobicContact CD1-CG2 3.99Å; P1152-T1174 VanDerWaalsContact O-CA 3.23Å; P1152-T1174 WeakPolarHBondContact O-CA 3.32Å; P1152-T1174 WeakPolarHBondContact O-CB 3.37Å; I1153-T1174 HydrophobicContact CG1-CG2 4.38Å; T1174-Q1176 PolarHBondContact O-N 3.03Å; T1174-Q1176 PolarHBondContact OG1-N 3.22Å; T1174-E1177 PolarHBondContact N-O 3.03Å; T1174-E1177 PolarHBondContact OG1-N 2.9Å; T1174-E1177 PolarHBondContact OG1-O 2.85Å
1175S87.5Confident89.3Confident38 Ų3811.5 Ų11.527%0.2666%0.06SC..SBendtrans-66.4-10.8169.961.40000115.1P1152P1152-S1175 PolarHBondContact O-N 3.09Å
1176Q87.8Confident87.8Confident54 Ų5410.9 Ų10.925%0.2526%0.061SC..SBendtrans-122.2-31.6-174.5-63.8-173.89.100114.5P1151 T1174 L1215 V1216P1151-Q1176 HydrophobicContact CB-CB 4.45Å; P1151-Q1176 HydrophobicContact CB-CG 4.02Å; T1174-Q1176 PolarHBondContact O-N 3.03Å; T1174-Q1176 PolarHBondContact OG1-N 3.22Å; Q1176-L1215 PolarHBondContact O-N 3.29Å; Q1176-V1216 HydrophobicContact CB-CG2 3.74Å; Q1176-V1216 HydrophobicContact CG-CG2 3.97Å; Q1176-V1216 PolarHBondContact O-N 3.18Å
1177E91.5Very high86Confident4 Ų411.2 Ų11.22%0.0196%0.063CC..EExtended strand (participates in β ladder)trans-154.4162.7-174.570.8-167.3-150.200112.5T1174 R1208 C1213 R1797T1174-E1177 PolarHBondContact N-O 3.03Å; T1174-E1177 PolarHBondContact OG1-N 2.9Å; T1174-E1177 PolarHBondContact OG1-O 2.85Å; E1177-R1208 IonicContact OE1-CZ 3.01Å; E1177-R1208 IonicContact OE1-NH1 3.28Å; E1177-R1208 IonicContact OE1-NH2 3.54Å; E1177-R1208 PolarHBondContact OE1-NH2 3.38Å; E1177-C1213 WeakPolarHBondContact CA-O 3.41Å; E1177-R1797 IonicContact OE1-CZ 2.73Å; E1177-R1797 IonicContact OE1-NH1 3.2Å; E1177-R1797 IonicContact OE1-NH2 2.98Å; E1177-R1797 PolarHBondContact OE1-NH2 2.84Å; E1177-R1797 IonicContact OE2-CZ 3.8Å; E1177-R1797 IonicContact OE2-NH1 3.52Å; E1177-R1797 PolarHBondContact OE2-NH1 3.48Å; E1177-R1797 IonicContact OE2-NH2 2.68Å; E1177-R1797 PolarHBondContact OE2-NH2 3.33Å
1178I93.8Very high84Confident3 Ų314 Ų142%0.0158%0.084CC..EExtended strand (participates in β ladder)trans-101.4123.3161.5-59174.3000108.6V1172 R1173 F1180 C1213 L1215 L1241 V1255V1172-I1178 CarbonylContact O-C 3.59Å; V1172-I1178 VanDerWaalsContact O-CA 3.3Å; V1172-I1178 WeakPolarHBondContact O-CA 3.05Å; R1173-I1178 HydrophobicContact CB-CG1 4.31Å; I1178-F1180 HydrophobicContact CB-CE2 4.45Å; I1178-F1180 HydrophobicContact CB-CZ 4.15Å; I1178-F1180 HydrophobicContact CG2-CD1 4.38Å; I1178-F1180 HydrophobicContact CG2-CE1 3.7Å; I1178-F1180 HydrophobicContact CG2-CE2 4.09Å; I1178-F1180 HydrophobicContact CG2-CZ 3.54Å; I1178-F1180 WeakPolarHBondContact O-CE2 3.24Å; I1178-C1213 HydrophobicContact CB-CB 4.14Å; I1178-C1213 PolarHBondContact N-O 3.15Å; I1178-L1215 HydrophobicContact CD1-CD2 4.43Å; I1178-L1215 HydrophobicContact CG1-CD1 4.08Å; I1178-L1215 HydrophobicContact CG1-CG 4.43Å; I1178-L1241 HydrophobicContact CD1-CD2 3.88Å; I1178-V1255 HydrophobicContact CD1-CB 4.22Å; I1178-V1255 HydrophobicContact CD1-CG1 3.61Å; I1178-V1255 HydrophobicContact CD1-CG2 3.51Å
1179A94.5Very high81.7Confident2 Ų217.8 Ų17.82%0.01710%0.104CC..EExtended strand (participates in β ladder)trans-100.1152.317100000110.8L1116 M1171 V1172 F1181L1116-A1179 HydrophobicContact CD1-CB 4.02Å; L1116-A1179 HydrophobicContact CD2-CB 4.3Å; M1171-A1179 WeakPolarHBondContact CA-O 3.28Å; V1172-A1179 HydrophobicContact CB-CB 4.48Å; V1172-A1179 PolarHBondContact N-O 2.78Å; V1172-A1179 PolarHBondContact O-N 3.12Å; A1179-F1181 HydrophobicContact CB-CE2 4.04Å
1180F95.1Very high79.4Confident1 Ų121.2 Ų21.20%0.00412%0.12CC..EExtended strand (participates in β ladder)trans-129.3131-174.9-55.6-84000110V1169 M1171 I1178 R1208 L1209 L1211 C1213 L1263 L1271V1169-F1180 HydrophobicContact CG1-CB 4.16Å; V1169-F1180 HydrophobicContact CG1-CD1 4.47Å; M1171-F1180 HydrophobicContact CB-CD1 4.46Å; M1171-F1180 HydrophobicContact CE-CD1 4.38Å; M1171-F1180 HydrophobicContact CE-CE1 4.24Å; M1171-F1180 HydrophobicContact CG-CD1 3.92Å; M1171-F1180 HydrophobicContact CG-CE1 4.12Å; M1171-F1180 HydrophobicContact SD-CD1 4.3Å; M1171-F1180 HydrophobicContact SD-CE1 3.95Å; I1178-F1180 HydrophobicContact CB-CE2 4.45Å; I1178-F1180 HydrophobicContact CB-CZ 4.15Å; I1178-F1180 HydrophobicContact CG2-CD1 4.38Å; I1178-F1180 HydrophobicContact CG2-CE1 3.7Å; I1178-F1180 HydrophobicContact CG2-CE2 4.09Å; I1178-F1180 HydrophobicContact CG2-CZ 3.54Å; I1178-F1180 WeakPolarHBondContact O-CE2 3.24Å; F1180-R1208 CarbonylContact O-C 3.57Å; F1180-R1208 WeakPolarHBondContact O-CA 3.45Å; F1180-L1209 HydrophobicContact CB-CB 4.14Å; F1180-L1209 HydrophobicContact CB-CD1 4.2Å; F1180-L1209 HydrophobicContact CB-CG 4.48Å; F1180-L1209 PolarHBondContact O-N 3.07Å; F1180-L1211 HydrophobicContact CD2-CB 3.85Å; F1180-L1211 HydrophobicContact CD2-CD1 4.36Å; F1180-L1211 HydrophobicContact CE2-CB 4.13Å; F1180-C1213 HydrophobicContact CE2-CB 3.7Å; F1180-C1213 HydrophobicContact CZ-CB 4.04Å; F1180-L1263 HydrophobicContact CE1-CD1 3.92Å; F1180-L1263 HydrophobicContact CE1-CD2 4.32Å; F1180-L1263 HydrophobicContact CZ-CD1 4.12Å; F1180-L1263 HydrophobicContact CZ-CD2 3.89Å; F1180-L1271 HydrophobicContact CD1-CD2 3.59Å; F1180-L1271 HydrophobicContact CE1-CD2 3.48Å; F1180-L1271 VanDerWaalsContact CE1-CD2 3.48Å; F1180-L1271 HydrophobicContact CG-CD2 4.28Å; F1180-L1271 HydrophobicContact CZ-CD2 4.09Å
1181F94.1Very high76.7Confident0 Ų022.5 Ų22.50%013%0.129CC..EExtended strand (participates in β ladder)trans-126.2111.1-178.1-70.6-86.8000110.2F1113 L1116 P1117 L1120 V1169 L1170 V1172 A1179 W1206 R1207 R1208F1113-F1181 HydrophobicContact CE2-CE2 4.24Å; L1116-F1181 HydrophobicContact CB-CZ 4.32Å; L1116-F1181 HydrophobicContact CD2-CE2 4.02Å; L1116-F1181 HydrophobicContact CD2-CZ 4.24Å; P1117-F1181 WeakPolarHBondContact O-CE1 3.18Å; L1120-F1181 HydrophobicContact CD1-CD1 3.91Å; L1120-F1181 HydrophobicContact CD1-CE1 4.25Å; L1120-F1181 HydrophobicContact CD1-CG 4.15Å; L1120-F1181 HydrophobicContact CD2-CD1 4.11Å; L1120-F1181 HydrophobicContact CD2-CE1 3.68Å; L1120-F1181 HydrophobicContact CD2-CZ 4.21Å; L1120-F1181 HydrophobicContact CG-CD1 3.76Å; L1120-F1181 HydrophobicContact CG-CE1 3.87Å; L1120-F1181 HydrophobicContact CG-CG 4.5Å; V1169-F1181 CarbonylContact C-O 3.6Å; V1169-F1181 VanDerWaalsContact CA-O 3.3Å; V1169-F1181 WeakPolarHBondContact CA-O 3.26Å; L1170-F1181 HydrophobicContact CB-CB 4.15Å; L1170-F1181 PolarHBondContact N-O 2.82Å; L1170-F1181 PolarHBondContact O-N 3.11Å; V1172-F1181 HydrophobicContact CG2-CD2 3.93Å; V1172-F1181 HydrophobicContact CG2-CE2 3.99Å; A1179-F1181 HydrophobicContact CB-CE2 4.04Å; F1181-W1206 HydrophobicContact CB-CB 4.15Å; F1181-W1206 HydrophobicContact CB-CE3 4.48Å; F1181-R1207 CarbonylContact C-O 3.58Å; F1181-R1207 WeakPolarHBondContact CA-O 3.23Å; F1181-R1208 HydrophobicContact CD1-CB 4.11Å; F1181-R1208 HydrophobicContact CE1-CB 3.79Å; F1181-R1208 HydrophobicContact CE1-CG 4.25Å; F1181-R1208 HydrophobicContact CZ-CB 4.41Å; F1181-R1208 HydrophobicContact CZ-CG 4.39Å
1182E90.8Very high74.1Confident5 Ų528.3 Ų28.32%0.02315%0.152CC..EExtended strand (participates in β ladder)trans-84.7131.5176.1176.3179.3-141.700110.7R1167 V1169 L1184 W1206 R1207 L1209R1167-E1182 IonicContact CZ-OE1 2.75Å; R1167-E1182 IonicContact NE-OE1 3.93Å; R1167-E1182 PolarHBondContact NE-OE1 3.31Å; R1167-E1182 IonicContact NH2-OE1 3.77Å; R1167-E1182 PolarHBondContact NH2-OE1 2.97Å; V1169-E1182 HydrophobicContact CG2-CB 4.49Å; E1182-L1184 HydrophobicContact CG-CD2 4.27Å; E1182-L1184 PolarHBondContact O-N 2.88Å; E1182-W1206 CarbonylContact O-C 3.49Å; E1182-W1206 VanDerWaalsContact O-CA 3.26Å; E1182-W1206 WeakPolarHBondContact O-CA 3.49Å; E1182-R1207 PolarHBondContact N-O 2.89Å; E1182-R1207 PolarHBondContact O-N 3.31Å; E1182-R1207 IonicContact OE2-CZ 3.25Å; E1182-R1207 IonicContact OE2-NE 3.55Å; E1182-R1207 IonicContact OE2-NH2 3.11Å; E1182-R1207 PolarHBondContact OE2-NH2 2.69Å; E1182-L1209 HydrophobicContact CB-CD1 4.25Å; E1182-L1209 HydrophobicContact CB-CD2 3.93Å; E1182-L1209 HydrophobicContact CB-CG 4.08Å
1183A88.5Confident71.5Confident3 Ų331.6 Ų31.63%0.02517%0.173CC..EExtended strand (participates in β ladder)trans-66.5121.3171.100000111.1W957 P1168 L1204 W1206W957-A1183 HydrophobicContact CE3-CB 4.44Å; W957-A1183 HydrophobicContact CZ3-CB 3.88Å; P1168-A1183 HydrophobicContact CG-CB 3.81Å; P1168-A1183 PolarHBondContact O-N 2.96Å; A1183-L1204 HydrophobicContact CB-CD1 4.22Å; A1183-W1206 HydrophobicContact CB-CD2 4.17Å; A1183-W1206 HydrophobicContact CB-CE3 3.8Å; A1183-W1206 HydrophobicContact CB-CH2 3.95Å; A1183-W1206 HydrophobicContact CB-CZ2 4.3Å; A1183-W1206 HydrophobicContact CB-CZ3 3.7Å
1184L75.8Confident68.9Low27 Ų2733.5 Ų33.514%0.14118%0.184CC..EExtended strand (participates in β ladder)trans-119.7114.1171.3-63.6-177.1000109.1F112 E1182 R1205 R1207F112-L1184 HydrophobicContact CB-CD1 3.54Å; F112-L1184 HydrophobicContact CD1-CD1 4.43Å; F112-L1184 HydrophobicContact CD2-CD1 3.9Å; F112-L1184 HydrophobicContact CD2-CD2 4.25Å; F112-L1184 HydrophobicContact CE2-CD2 4.29Å; F112-L1184 HydrophobicContact CG-CD1 3.72Å; F112-L1184 HydrophobicContact CG-CD2 4.39Å; F112-L1184 HydrophobicContact CZ-CD2 4.45Å; E1182-L1184 HydrophobicContact CG-CD2 4.27Å; E1182-L1184 PolarHBondContact O-N 2.88Å; L1184-R1205 CarbonylContact C-O 3.55Å; L1184-R1205 PolarHBondContact N-O 3.21Å; L1184-R1205 PolarHBondContact O-N 3.48Å; L1184-R1207 HydrophobicContact CD1-CB 3.64Å; L1184-R1207 HydrophobicContact CD1-CG 4.38Å; L1184-R1207 HydrophobicContact CG-CB 4.15Å
1185C63.7Low66.3Low17 Ų1735.8 Ų35.812%0.11520%0.196CC..  trans-133.2133.9165.1-164.20000110W957 S1187 L1204W957-C1185 HydrophobicContact CB-CB 3.82Å; W957-C1185 HydrophobicContact CD2-CB 3.32Å; W957-C1185 HydrophobicContact CE3-CB 3.84Å; W957-C1185 HydrophobicContact CG-CB 3.32Å; W957-C1185 HydrophobicContact CZ2-CB 4.18Å; W957-C1185 HydrophobicContact CZ3-CB 4.47Å; C1185-S1187 PolarHBondContact O-N 3.35Å; C1185-S1187 VanDerWaalsContact O-N 3.11Å; C1185-L1204 HydrophobicContact CB-CB 4.26Å; C1185-L1204 HydrophobicContact CB-CD1 3.85Å
1186P52Low63.8Low33 Ų3339.5 Ų39.521%0.21422%0.222CC..  trans-72.8101.1173.931.5-36.3000110.2S1191P1186-S1191 VanDerWaalsContact CB-CB 3.43Å; P1186-S1191 WeakPolarHBondContact CB-OG 3.45Å
1187S45.6Very low61.2Low16 Ų1639.9 Ų39.911%0.11224%0.24CC..  trans-67.1149.2158.875.50000108.6C1185 D1189 E1190 S1191C1185-S1187 PolarHBondContact O-N 3.35Å; C1185-S1187 VanDerWaalsContact O-N 3.11Å; S1187-D1189 PolarHBondContact O-N 3.28Å; S1187-E1190 PolarHBondContact O-N 2.83Å; S1187-E1190 VanDerWaalsContact OG-CB 3.26Å; S1187-E1190 WeakPolarHBondContact OG-CB 3.04Å; S1187-E1190 VanDerWaalsContact OG-CD 3.27Å; S1187-E1190 WeakPolarHBondContact OG-CG 3.38Å; S1187-E1190 PolarHBondContact OG-N 3.26Å; S1187-E1190 PolarHBondContact OG-OE2 3.11Å; S1187-S1191 PolarHBondContact O-N 3.49Å
1188P43.5Very low58.6Low77 Ų7743 Ų4350%0.526%0.259SS..THydrogen-bonded Turntrans-64.1-8.9-173.725.6-35.1000114.7
1189D44.6Very low55.8Low79 Ų7951.2 Ų51.242%0.42230%0.295SS..THydrogen-bonded Turntrans-106.9-8.9177.7-61.7-65.6000113.5H36 K38 L39 S1187H36-D1189 PolarHBondContact CE1-O 2.74Å; H36-D1189 PolarHBondContact ND1-O 3.06Å; K38-D1189 IonicContact NZ-OD1 3.57Å; K38-D1189 PolarHBondContact NZ-OD1 3.05Å; L39-D1189 WeakPolarHBondContact CD1-O 3.2Å; S1187-D1189 PolarHBondContact O-N 3.28Å
1190E45Very low53.4Low72 Ų7255.6 Ų55.634%0.33631%0.312SS..THydrogen-bonded Turntrans-115.8-23.4179.9-59.7176.6115.300113.3H36 L39 R953 S1187H36-E1190 WeakPolarHBondContact CB-O 3.28Å; L39-E1190 HydrophobicContact CD1-CG 4.5Å; R953-E1190 IonicContact CZ-OE1 2.99Å; R953-E1190 IonicContact CZ-OE2 2.93Å; R953-E1190 IonicContact NE-OE1 2.67Å; R953-E1190 IonicContact NE-OE2 2.77Å; R953-E1190 VanDerWaalsContact NH2-CD 3.28Å; R953-E1190 IonicContact NH2-OE1 2.63Å; R953-E1190 PolarHBondContact NH2-OE1 2.89Å; R953-E1190 IonicContact NH2-OE2 3.31Å; R953-E1190 PolarHBondContact NH2-OE2 3.44Å; S1187-E1190 PolarHBondContact O-N 2.83Å; S1187-E1190 VanDerWaalsContact OG-CB 3.26Å; S1187-E1190 WeakPolarHBondContact OG-CB 3.04Å; S1187-E1190 VanDerWaalsContact OG-CD 3.27Å; S1187-E1190 WeakPolarHBondContact OG-CG 3.38Å; S1187-E1190 PolarHBondContact OG-N 3.26Å; S1187-E1190 PolarHBondContact OG-OE2 3.11Å
1191S39.9Very low51.1Low28 Ų2857.5 Ų57.520%0.19632%0.321CS..  trans-156133.8168.8162.50000112.2H36 P1186 S1187H36-S1191 VanDerWaalsContact CD2-CA 3.41Å; H36-S1191 WeakPolarHBondContact CD2-CA 3.49Å; P1186-S1191 VanDerWaalsContact CB-CB 3.43Å; P1186-S1191 WeakPolarHBondContact CB-OG 3.45Å; S1187-S1191 PolarHBondContact O-N 3.49Å
1192Y41.4Very low49.1Very low122 Ų12259.9 Ų59.948%0.47835%0.345SS..  trans-98.3133.9-178.6-168.8-91.2000110.7H36 P37 L89 L1194H36-Y1192 PolarHBondContact CD2-N 3.3Å; P37-Y1192 HydrophobicContact CG-CG 4.39Å; L89-Y1192 HydrophobicContact CD1-CD1 4.14Å; L89-Y1192 HydrophobicContact CD1-CE1 4.24Å; Y1192-L1194 PolarHBondContact O-N 3.16Å
1193P40.8Very low47.9Very low69 Ų6962.4 Ų62.445%0.44836%0.355SS..  trans-66.3125.2177.427.7-33.7000110.5E1201P1193-E1201 HydrophobicContact CB-CB 4.13Å
1194L38.7Very low47.6Very low52 Ų5262.3 Ų62.327%0.27235%0.353SS..SBendtrans-96.812.3-164.3-111.3162.5000113.8L89 L90 P109 R190 Y1192 E1201L89-L1194 HydrophobicContact CB-CD2 4.22Å; L89-L1194 HydrophobicContact CD1-CD2 3.89Å; L89-L1194 HydrophobicContact CG-CD2 4.06Å; L90-L1194 HydrophobicContact CD1-CD1 3.79Å; L90-L1194 HydrophobicContact CG-CD1 4.17Å; P109-L1194 HydrophobicContact CG-CD1 4.15Å; R190-L1194 PolarHBondContact NH2-O 3.37Å; Y1192-L1194 PolarHBondContact O-N 3.16Å; L1194-E1201 PolarHBondContact N-OE2 3.09Å
1195I37.8Very low48Very low49 Ų4962.8 Ų62.825%0.25135%0.353SS..  trans-135.2116.7164.8-69.994.6000111.7R190 G1197 E1201R190-I1195 VanDerWaalsContact NH1-CG1 3.27Å; I1195-G1197 VanDerWaalsContact C-N 3.29Å; I1195-G1197 PolarHBondContact O-N 2.95Å; I1195-E1201 WeakPolarHBondContact CD1-OE1 3.46Å; I1195-E1201 PolarHBondContact N-OE2 3.4Å; I1195-E1201 VanDerWaalsContact N-OE2 3.09Å
1196S34.4Very low49.3Very low117 Ų11762 Ų6282%0.81835%0.348SS*.THydrogen-bonded Turntrans-69.784.4157.8-65.90000110
1197G34.3Very low51Low61 Ų6161 Ų6163%0.62934%0.34SS*.THydrogen-bonded Turntrans173-20.2-179.400000118.3I1195I1195-G1197 VanDerWaalsContact C-N 3.29Å; I1195-G1197 PolarHBondContact O-N 2.95Å
1198T35.6Very low53.2Low69 Ų6960.6 Ų60.642%0.42334%0.336SS..  trans-135.7116.8-173.339.20000113.6Y1200T1198-Y1200 PolarHBondContact O-N 2.85Å
1199F35.8Very low55.4Low177 Ų17757.7 Ų57.778%0.77632%0.316SS*.THydrogen-bonded Turntrans-69.629.9-175.1-74.7-94.1000116
1200Y43.1Very low57.4Low94 Ų9458 Ų5837%0.36932%0.323SS..THydrogen-bonded Turntrans-123.6-12.3-172.9-67.4-80.6000114.4F971 T1198 G1202 R1203F971-Y1200 HydrophobicContact CE1-CE1 4.45Å; F971-Y1200 VanDerWaalsContact CE2-OH 3.26Å; F971-Y1200 WeakPolarHBondContact CE2-OH 3.49Å; F971-Y1200 AromaticContact CZ-CE1 3.72Å; F971-Y1200 HydrophobicContact CZ-CE1 3.72Å; F971-Y1200 HydrophobicContact CZ-CE2 4.23Å; F971-Y1200 AromaticContact CZ-CZ 3.44Å; F971-Y1200 VanDerWaalsContact CZ-CZ 3.44Å; F971-Y1200 WeakPolarHBondContact CZ-OH 3.43Å; T1198-Y1200 PolarHBondContact O-N 2.85Å; Y1200-G1202 PolarHBondContact O-N 2.89Å; Y1200-R1203 VanDerWaalsContact CE1-NH2 3.26Å
1201E48.1Very low59.5Low41 Ų4156.9 Ų56.919%0.19232%0.318CS..THydrogen-bonded Turntrans-77.4-22.5-170.4-59.7-159.1143.700114.6P1193 L1194 I1195 R1205P1193-E1201 HydrophobicContact CB-CB 4.13Å; L1194-E1201 PolarHBondContact N-OE2 3.09Å; I1195-E1201 WeakPolarHBondContact CD1-OE1 3.46Å; I1195-E1201 PolarHBondContact N-OE2 3.4Å; I1195-E1201 VanDerWaalsContact N-OE2 3.09Å; E1201-R1205 PolarHBondContact O-NH2 2.92Å
1202G50.7Low61.8Low49 Ų4957.7 Ų57.751%0.50532%0.323SS..THydrogen-bonded Turntrans-92.17.7-177.100000116.7Y1200Y1200-G1202 PolarHBondContact O-N 2.89Å
1203R66.2Low64.1Low59 Ų5952 Ų5222%0.22330%0.302CS..SBendtrans-84.4147.3-177.2-59.1-174.8-173.9-158.7-1.1112.1Y1200Y1200-R1203 VanDerWaalsContact CE1-NH2 3.26Å
1204L81.8Confident66.4Low0 Ų049.8 Ų49.80%029%0.287CS..  trans-54.9135.9170.1173.866.9000111.1L954 W957 L958 Y1108 A1183 C1185 W1206L954-L1204 HydrophobicContact CD1-CD1 4.3Å; L954-L1204 HydrophobicContact CD1-CD2 3.8Å; W957-L1204 HydrophobicContact CB-CB 4.47Å; W957-L1204 HydrophobicContact CB-CD1 4.42Å; W957-L1204 HydrophobicContact CE3-CD1 3.93Å; L958-L1204 HydrophobicContact CD2-CD2 3.48Å; L958-L1204 VanDerWaalsContact CD2-CD2 3.48Å; L958-L1204 HydrophobicContact CG-CD2 3.92Å; Y1108-L1204 HydrophobicContact CD2-CD2 4.21Å; Y1108-L1204 HydrophobicContact CE2-CB 3.99Å; Y1108-L1204 HydrophobicContact CE2-CD2 4.01Å; Y1108-L1204 HydrophobicContact CE2-CG 4.01Å; Y1108-L1204 WeakPolarHBondContact CE2-O 3.48Å; Y1108-L1204 PolarHBondContact OH-O 2.72Å; A1183-L1204 HydrophobicContact CB-CD1 4.22Å; C1185-L1204 HydrophobicContact CB-CB 4.26Å; C1185-L1204 HydrophobicContact CB-CD1 3.85Å; L1204-W1206 HydrophobicContact CD2-CZ2 4.39Å
1205R85.9Confident68.8Low37 Ų3748.7 Ų48.714%0.1428%0.281CS..EExtended strand (participates in β ladder)trans-132.2163.8171.4-54-179.7-162.1118.921109M1119 L1120 L1184 E1201M1119-R1205 HydrophobicContact CE-CB 3.69Å; M1119-R1205 HydrophobicContact CE-CG 4.48Å; L1120-R1205 WeakPolarHBondContact O-CA 3.31Å; L1120-R1205 WeakPolarHBondContact O-CB 3.46Å; L1184-R1205 CarbonylContact C-O 3.55Å; L1184-R1205 PolarHBondContact N-O 3.21Å; L1184-R1205 PolarHBondContact O-N 3.48Å; E1201-R1205 PolarHBondContact O-NH2 2.92Å
1206W89.7Confident71Confident1 Ų148 Ų480%0.00428%0.279CS..EExtended strand (participates in β ladder)trans-124127.3170.5-54.771.9000110.1L954 F1088 I1098 Y1108 M1119 L1120 L1170 F1181 E1182 A1183 L1204L954-W1206 HydrophobicContact CD1-CH2 4.37Å; L954-W1206 HydrophobicContact CD1-CZ2 4.08Å; L954-W1206 HydrophobicContact CD2-CH2 4.39Å; F1088-W1206 AromaticContact CE1-CH2 3.64Å; F1088-W1206 HydrophobicContact CE1-CH2 3.64Å; F1088-W1206 AromaticContact CE1-CZ2 3.59Å; F1088-W1206 HydrophobicContact CE1-CZ2 3.59Å; F1088-W1206 AromaticContact CZ-CH2 3.64Å; F1088-W1206 HydrophobicContact CZ-CH2 3.64Å; F1088-W1206 AromaticContact CZ-CZ2 3.74Å; F1088-W1206 HydrophobicContact CZ-CZ2 3.74Å; I1098-W1206 HydrophobicContact CD1-CZ2 4.11Å; Y1108-W1206 AromaticContact CE1-CD1 3.97Å; Y1108-W1206 AromaticContact CE1-NE1 3.99Å; M1119-W1206 CarbonylContact C-O 3.59Å; M1119-W1206 VanDerWaalsContact CA-O 3.29Å; M1119-W1206 WeakPolarHBondContact CA-O 3.46Å; L1120-W1206 HydrophobicContact CB-CB 3.91Å; L1120-W1206 HydrophobicContact CB-CG 4.36Å; L1120-W1206 HydrophobicContact CD1-CB 3.86Å; L1120-W1206 HydrophobicContact CD1-CG 4.16Å; L1120-W1206 HydrophobicContact CG-CB 3.91Å; L1120-W1206 PolarHBondContact N-O 2.86Å; L1120-W1206 PolarHBondContact O-N 3.25Å; L1120-W1206 VanDerWaalsContact O-N 3.11Å; L1170-W1206 HydrophobicContact CB-CE3 4.06Å; L1170-W1206 HydrophobicContact CB-CZ3 3.89Å; F1181-W1206 HydrophobicContact CB-CB 4.15Å; F1181-W1206 HydrophobicContact CB-CE3 4.48Å; E1182-W1206 CarbonylContact O-C 3.49Å; E1182-W1206 VanDerWaalsContact O-CA 3.26Å; E1182-W1206 WeakPolarHBondContact O-CA 3.49Å; A1183-W1206 HydrophobicContact CB-CD2 4.17Å; A1183-W1206 HydrophobicContact CB-CE3 3.8Å; A1183-W1206 HydrophobicContact CB-CH2 3.95Å; A1183-W1206 HydrophobicContact CB-CZ2 4.3Å; A1183-W1206 HydrophobicContact CB-CZ3 3.7Å; L1204-W1206 HydrophobicContact CD2-CZ2 4.39Å
1207R89.1Confident73.4Confident13 Ų1342.5 Ų42.55%0.04924%0.241CC..EExtended strand (participates in β ladder)trans-96.5126.4-178173.8177.667.2160.3-2.9110.7F112 M1119 F1181 E1182 L1184 L1209F112-R1207 PolarHBondContact O-NH1 2.77Å; M1119-R1207 HydrophobicContact CE-CB 4.22Å; M1119-R1207 HydrophobicContact SD-CB 3.78Å; M1119-R1207 HydrophobicContact SD-CG 4.03Å; F1181-R1207 CarbonylContact C-O 3.58Å; F1181-R1207 WeakPolarHBondContact CA-O 3.23Å; E1182-R1207 PolarHBondContact N-O 2.89Å; E1182-R1207 PolarHBondContact O-N 3.31Å; E1182-R1207 IonicContact OE2-CZ 3.25Å; E1182-R1207 IonicContact OE2-NE 3.55Å; E1182-R1207 IonicContact OE2-NH2 3.11Å; E1182-R1207 PolarHBondContact OE2-NH2 2.69Å; L1184-R1207 HydrophobicContact CD1-CB 3.64Å; L1184-R1207 HydrophobicContact CD1-CG 4.38Å; L1184-R1207 HydrophobicContact CG-CB 4.15Å; R1207-L1209 PolarHBondContact O-N 3.39Å
1208R90.9Very high75.7Confident7 Ų739.7 Ų39.73%0.02621%0.211CC..EExtended strand (participates in β ladder)trans-64.4117.2170-172.1175.2175.4149.45.2109.6L1116 Q1118 E1177 F1180 F1181 T1791L1116-R1208 PolarHBondContact O-NH1 3Å; Q1118-R1208 PolarHBondContact NE2-O 2.9Å; Q1118-R1208 WeakPolarHBondContact O-CB 3.38Å; Q1118-R1208 PolarHBondContact O-N 3.39Å; E1177-R1208 IonicContact OE1-CZ 3.01Å; E1177-R1208 IonicContact OE1-NH1 3.28Å; E1177-R1208 IonicContact OE1-NH2 3.54Å; E1177-R1208 PolarHBondContact OE1-NH2 3.38Å; F1180-R1208 CarbonylContact O-C 3.57Å; F1180-R1208 WeakPolarHBondContact O-CA 3.45Å; F1181-R1208 HydrophobicContact CD1-CB 4.11Å; F1181-R1208 HydrophobicContact CE1-CB 3.79Å; F1181-R1208 HydrophobicContact CE1-CG 4.25Å; F1181-R1208 HydrophobicContact CZ-CB 4.41Å; F1181-R1208 HydrophobicContact CZ-CG 4.39Å; R1208-T1791 PolarHBondContact NE-O 2.78Å
1209L89.4Confident78Confident15 Ų1542.3 Ų42.38%0.07921%0.214CC..PPolyproline II helixtrans-75.4139.6176.7-64.2177.2000110.1V1169 F1180 E1182 R1207 L1211V1169-L1209 HydrophobicContact CG1-CD1 4.45Å; F1180-L1209 HydrophobicContact CB-CB 4.14Å; F1180-L1209 HydrophobicContact CB-CD1 4.2Å; F1180-L1209 HydrophobicContact CB-CG 4.48Å; F1180-L1209 PolarHBondContact O-N 3.07Å; E1182-L1209 HydrophobicContact CB-CD1 4.25Å; E1182-L1209 HydrophobicContact CB-CD2 3.93Å; E1182-L1209 HydrophobicContact CB-CG 4.08Å; R1207-L1209 PolarHBondContact O-N 3.39Å; L1209-L1211 HydrophobicContact CB-CD1 4.13Å; L1209-L1211 HydrophobicContact CB-CG 4.17Å; L1209-L1211 HydrophobicContact CD1-CD1 4.09Å; L1209-L1211 PolarHBondContact O-N 3.17Å
1210P86.8Confident80.1Confident86 Ų8638.3 Ų38.356%0.55819%0.193SC*.  trans-80.251.7-178.734.8-37.2000112.3T1791P1210-T1791 HydrophobicContact CB-CG2 4.44Å
1211L88.2Confident81.8Confident48 Ų4834 Ų3425%0.25118%0.177SC..  trans-105.7107.7-178.5-65.4174.3000110.2F1180 L1209 C1213 L1271F1180-L1211 HydrophobicContact CD2-CB 3.85Å; F1180-L1211 HydrophobicContact CD2-CD1 4.36Å; F1180-L1211 HydrophobicContact CE2-CB 4.13Å; L1209-L1211 HydrophobicContact CB-CD1 4.13Å; L1209-L1211 HydrophobicContact CB-CG 4.17Å; L1209-L1211 HydrophobicContact CD1-CD1 4.09Å; L1209-L1211 PolarHBondContact O-N 3.17Å; L1211-C1213 PolarHBondContact O-N 3.24Å; L1211-L1271 HydrophobicContact CD1-CB 3.91Å; L1211-L1271 HydrophobicContact CD1-CD2 4.12Å
1212P88.3Confident83.3Confident45 Ų4537.2 Ų37.229%0.29219%0.187SC..  trans-79.2108.7-178.430.1-33.2000111.6P1214 L1790 T1791P1212-P1214 WeakPolarHBondContact O-CD 3.48Å; P1212-L1790 HydrophobicContact CB-CB 4.03Å; P1212-L1790 HydrophobicContact CB-CD1 3.99Å; P1212-T1791 HydrophobicContact CB-CG2 4.16Å
1213C90.9Very high84.7Confident4 Ų439.5 Ų39.53%0.02719%0.191CC..EExtended strand (participates in β ladder)trans-122.776.6176.9-168.90000111.5E1177 I1178 F1180 L1211 I1261E1177-C1213 WeakPolarHBondContact CA-O 3.41Å; I1178-C1213 HydrophobicContact CB-CB 4.14Å; I1178-C1213 PolarHBondContact N-O 3.15Å; F1180-C1213 HydrophobicContact CE2-CB 3.7Å; F1180-C1213 HydrophobicContact CZ-CB 4.04Å; L1211-C1213 PolarHBondContact O-N 3.24Å; C1213-I1261 VanDerWaalsContact SG-CD1 3.59Å
1214P89Confident85.4Confident21 Ų2140.1 Ų40.114%0.13620%0.199CC..EExtended strand (participates in β ladder)trans-80.3138.8-178.631.9-34000112.7P1212 N1259 L1790 I1819P1212-P1214 WeakPolarHBondContact O-CD 3.48Å; P1214-N1259 PolarHBondContact O-ND2 3.43Å; P1214-N1259 VanDerWaalsContact O-ND2 3.12Å; P1214-L1790 HydrophobicContact CB-CD1 4.2Å; P1214-L1790 HydrophobicContact CG-CD1 3.92Å; P1214-I1819 HydrophobicContact CG-CD1 3.53Å
1215L88Confident85.4Confident29 Ų2944 Ų4415%0.15223%0.225CC..  trans-104-10.4173.5-56.2-179.8000112.5R1173 Q1176 I1178 A1217 V1255 I1261R1173-L1215 HydrophobicContact CG-CD1 4.37Å; Q1176-L1215 PolarHBondContact O-N 3.29Å; I1178-L1215 HydrophobicContact CD1-CD2 4.43Å; I1178-L1215 HydrophobicContact CG1-CD1 4.08Å; I1178-L1215 HydrophobicContact CG1-CG 4.43Å; L1215-A1217 PolarHBondContact O-N 3.3Å; L1215-V1255 HydrophobicContact CD2-CG1 4.4Å; L1215-I1261 HydrophobicContact CD2-CD1 4.26Å
1216V85.1Confident85.1Confident35 Ų3546.2 Ų46.221%0.21224%0.235CC..PPolyproline II helixtrans-64.9116.7177.5-1790000111Q1176 M1812 A1816Q1176-V1216 HydrophobicContact CB-CG2 3.74Å; Q1176-V1216 HydrophobicContact CG-CG2 3.97Å; Q1176-V1216 PolarHBondContact O-N 3.18Å; V1216-M1812 HydrophobicContact CG2-CE 4.12Å; V1216-A1816 WeakPolarHBondContact O-CB 3.46Å
1217A84.3Confident84.7Confident1 Ų146.8 Ų46.81%0.00824%0.238CC..PPolyproline II helixtrans-72.7149.5171.900000111.8L1215 L1643L1215-A1217 PolarHBondContact O-N 3.3Å; A1217-L1643 HydrophobicContact CB-CD1 3.49Å; A1217-L1643 VanDerWaalsContact CB-CD1 3.49Å
1218P83.8Confident84.3Confident2 Ų250.8 Ų50.81%0.01326%0.259CS..PPolyproline II helixtrans-59.7143.5179.6-18.727.9000112.6R1220 V1221 R1222 A1816 E1817 A1820P1218-R1220 VanDerWaalsContact C-N 3.25Å; P1218-R1220 PolarHBondContact O-N 3.44Å; P1218-V1221 HydrophobicContact CB-CG2 4.24Å; P1218-V1221 HydrophobicContact CG-CG2 4.21Å; P1218-V1221 WeakPolarHBondContact O-CA 3.12Å; P1218-V1221 WeakPolarHBondContact O-CB 3.34Å; P1218-V1221 PolarHBondContact O-N 3.35Å; P1218-R1222 PolarHBondContact O-N 2.67Å; P1218-R1222 VanDerWaalsContact O-N 3.1Å; P1218-A1816 HydrophobicContact CG-CB 4.45Å; P1218-E1817 HydrophobicContact CB-CB 4.42Å; P1218-A1820 HydrophobicContact CG-CB 3.42Å; P1218-A1820 VanDerWaalsContact CG-CB 3.42Å
1219R83.9Confident83.9Confident125 Ų12555 Ų5547%0.47228%0.281SS..Hα-helixtrans-42-45.8179.5-153.9-171.6-179.297.11115.1V1221 R1222 T1223 E1809 D1813R1219-V1221 PolarHBondContact O-N 3.42Å; R1219-R1222 PolarHBondContact O-N 2.96Å; R1219-T1223 HydrophobicContact CG-CG2 4.44Å; R1219-T1223 WeakPolarHBondContact O-CG2 3.33Å; R1219-T1223 PolarHBondContact O-N 2.82Å; R1219-T1223 PolarHBondContact O-OG1 3.34Å; R1219-T1223 VanDerWaalsContact O-OG1 3.04Å; R1219-E1809 IonicContact NH1-OE2 3.87Å; R1219-D1813 HydrophobicContact CB-CB 4.47Å; R1219-D1813 VanDerWaalsContact CB-OD1 3.32Å; R1219-D1813 WeakPolarHBondContact CB-OD1 3.36Å; R1219-D1813 VanDerWaalsContact CD-OD2 3.24Å; R1219-D1813 WeakPolarHBondContact CD-OD2 3.28Å; R1219-D1813 WeakPolarHBondContact CG-OD2 3.19Å; R1219-D1813 IonicContact CZ-OD2 3.47Å; R1219-D1813 PolarHBondContact N-OD1 3.26Å; R1219-D1813 IonicContact NE-OD2 3.29Å; R1219-D1813 IonicContact NH1-OD2 3.46Å; R1219-D1813 PolarHBondContact NH1-OD2 3.34Å
1220R78.7Confident83.6Confident92 Ų9254.9 Ų54.935%0.34728%0.282SS..Hα-helixtrans-60.8-30.9-179.2-68.8-169-173.690.167.3113.6P1218 T1223 E1712 E1817P1218-R1220 VanDerWaalsContact C-N 3.25Å; P1218-R1220 PolarHBondContact O-N 3.44Å; R1220-T1223 WeakPolarHBondContact CA-OG1 3.48Å; R1220-T1223 PolarHBondContact O-OG1 2.95Å; R1220-E1712 IonicContact CZ-OE2 2.68Å; R1220-E1712 IonicContact NH1-OE2 3.98Å; R1220-E1712 PolarHBondContact NH1-OE2 3.48Å; R1220-E1817 IonicContact CZ-OE1 2.98Å; R1220-E1817 VanDerWaalsContact CZ-OE1 3.29Å; R1220-E1817 IonicContact CZ-OE2 2.74Å; R1220-E1817 VanDerWaalsContact NH1-CD 3.3Å; R1220-E1817 IonicContact NH1-OE1 3.46Å; R1220-E1817 PolarHBondContact NH1-OE1 3.37Å; R1220-E1817 IonicContact NH1-OE2 2.83Å; R1220-E1817 IonicContact NH2-OE1 3.66Å; R1220-E1817 PolarHBondContact NH2-OE1 2.96Å; R1220-E1817 IonicContact NH2-OE2 3.87Å; R1220-E1817 PolarHBondContact NH2-OE2 3.48Å
1221V79.7Confident83.3Confident4 Ų452.6 Ų52.62%0.02426%0.263CS..Hα-helixtrans-81.9-43.9179.3-174.40000108.9P1218 R1219 T1223 D1224 I1227 L1639 L1643 L1644P1218-V1221 HydrophobicContact CB-CG2 4.24Å; P1218-V1221 HydrophobicContact CG-CG2 4.21Å; P1218-V1221 WeakPolarHBondContact O-CA 3.12Å; P1218-V1221 WeakPolarHBondContact O-CB 3.34Å; P1218-V1221 PolarHBondContact O-N 3.35Å; R1219-V1221 PolarHBondContact O-N 3.42Å; V1221-T1223 VanDerWaalsContact C-N 3.28Å; V1221-T1223 PolarHBondContact O-N 2.93Å; V1221-D1224 PolarHBondContact O-N 3.29Å; V1221-I1227 HydrophobicContact CG1-CD1 3.88Å; V1221-I1227 HydrophobicContact CG1-CG2 4.1Å; V1221-I1227 WeakPolarHBondContact O-CG2 3.3Å; V1221-L1639 HydrophobicContact CG2-CD2 4.24Å; V1221-L1643 HydrophobicContact CG1-CB 3.71Å; V1221-L1643 HydrophobicContact CG1-CD1 3.97Å; V1221-L1643 HydrophobicContact CG1-CG 4.49Å; V1221-L1644 HydrophobicContact CG1-CD2 4.43Å; V1221-L1644 HydrophobicContact CG2-CD2 4.24Å
1222R79.8Confident83.1Confident109 Ų10953.4 Ų53.441%0.41127%0.273SS..Hα-helixtrans-66.3-21.2175.7-170.4166.7110.491.5-7.3114.4P1218 R1219 E1809P1218-R1222 PolarHBondContact O-N 2.67Å; P1218-R1222 VanDerWaalsContact O-N 3.1Å; R1219-R1222 PolarHBondContact O-N 2.96Å; R1222-E1809 IonicContact CZ-OE1 2.65Å; R1222-E1809 IonicContact NE-OE1 3.61Å; R1222-E1809 IonicContact NH2-OE1 2.99Å; R1222-E1809 PolarHBondContact NH2-OE1 2.89Å
1223T79.7Confident82.9Confident97 Ų9754.4 Ų54.460%0.59528%0.278SS*.THydrogen-bonded Turntrans-80-7.6177.944.70000115.4R1219 R1220 V1221R1219-T1223 HydrophobicContact CG-CG2 4.44Å; R1219-T1223 WeakPolarHBondContact O-CG2 3.33Å; R1219-T1223 PolarHBondContact O-N 2.82Å; R1219-T1223 PolarHBondContact O-OG1 3.34Å; R1219-T1223 VanDerWaalsContact O-OG1 3.04Å; R1220-T1223 WeakPolarHBondContact CA-OG1 3.48Å; R1220-T1223 PolarHBondContact O-OG1 2.95Å; V1221-T1223 VanDerWaalsContact C-N 3.28Å; V1221-T1223 PolarHBondContact O-N 2.93Å
1224D81.3Confident82.5Confident71 Ų7154.8 Ų54.838%0.3828%0.28SS..SBendtrans-80.5123.5169.2-169.8-51000109.1V1221 K1226 I1227 M1228V1221-D1224 PolarHBondContact O-N 3.29Å; D1224-K1226 VanDerWaalsContact C-N 3.28Å; D1224-K1226 PolarHBondContact O-N 2.9Å; D1224-K1226 WeakPolarHBondContact OD1-CB 3.33Å; D1224-K1226 PolarHBondContact OD1-N 2.89Å; D1224-I1227 HydrophobicContact CB-CB 4.13Å; D1224-I1227 HydrophobicContact CB-CD1 4.03Å; D1224-I1227 HydrophobicContact CB-CG1 4Å; D1224-I1227 PolarHBondContact O-N 3.06Å; D1224-I1227 VanDerWaalsContact O-N 3.1Å; D1224-M1228 PolarHBondContact O-N 2.82Å
1225P81Confident82.1Confident83 Ų8357.5 Ų57.554%0.53929%0.293SS..Hα-helixtrans-59.9-35.9-178.824.7-34.1000112.6I1227 M1228 D1229P1225-I1227 VanDerWaalsContact C-N 3.27Å; P1225-I1227 PolarHBondContact O-N 3.39Å; P1225-M1228 WeakPolarHBondContact O-CB 3.36Å; P1225-M1228 PolarHBondContact O-N 3.39Å; P1225-D1229 VanDerWaalsContact O-CG 3.25Å; P1225-D1229 PolarHBondContact O-N 2.95Å
1226K79.1Confident81.8Confident83 Ų8361.6 Ų61.636%0.36132%0.319SS..Hα-helixtrans-63.4-37.7177.5-63.8-167.1175.8-167.20111.2D1224 V1230 S1649D1224-K1226 VanDerWaalsContact C-N 3.28Å; D1224-K1226 PolarHBondContact O-N 2.9Å; D1224-K1226 WeakPolarHBondContact OD1-CB 3.33Å; D1224-K1226 PolarHBondContact OD1-N 2.89Å; K1226-V1230 VanDerWaalsContact O-CG2 3.28Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.13Å; K1226-V1230 PolarHBondContact O-N 2.96Å; K1226-S1649 PolarHBondContact NZ-OG 3.1Å
1227I82.2Confident81.5Confident13 Ų1362 Ų627%0.06732%0.317CS..Hα-helixtrans-73.3-36.1177.6-62.9-178.4000110.8V1221 D1224 P1225 V1230 Q1231 L1643V1221-I1227 HydrophobicContact CG1-CD1 3.88Å; V1221-I1227 HydrophobicContact CG1-CG2 4.1Å; V1221-I1227 WeakPolarHBondContact O-CG2 3.3Å; D1224-I1227 HydrophobicContact CB-CB 4.13Å; D1224-I1227 HydrophobicContact CB-CD1 4.03Å; D1224-I1227 HydrophobicContact CB-CG1 4Å; D1224-I1227 PolarHBondContact O-N 3.06Å; D1224-I1227 VanDerWaalsContact O-N 3.1Å; P1225-I1227 VanDerWaalsContact C-N 3.27Å; P1225-I1227 PolarHBondContact O-N 3.39Å; I1227-V1230 PolarHBondContact O-N 2.8Å; I1227-Q1231 HydrophobicContact CG2-CG 4.34Å; I1227-Q1231 WeakPolarHBondContact O-CB 3.36Å; I1227-Q1231 WeakPolarHBondContact O-CG 3.49Å; I1227-Q1231 PolarHBondContact O-N 3.26Å; I1227-L1643 HydrophobicContact CD1-CB 4.5Å; I1227-L1643 HydrophobicContact CG2-CB 3.91Å; I1227-L1643 HydrophobicContact CG2-CD1 3.69Å; I1227-L1643 HydrophobicContact CG2-CD2 4.24Å; I1227-L1643 HydrophobicContact CG2-CG 4.15Å
1228M80.7Confident81.2Confident97 Ų9765.1 Ų65.148%0.47834%0.336SS..Hα-helixtrans-61.7-43.9174.7-169.8177.969.300111.8D1224 P1225 Q1231 S1232D1224-M1228 PolarHBondContact O-N 2.82Å; P1225-M1228 WeakPolarHBondContact O-CB 3.36Å; P1225-M1228 PolarHBondContact O-N 3.39Å; M1228-Q1231 PolarHBondContact O-N 2.91Å; M1228-S1232 PolarHBondContact O-N 3.21Å
1229D83Confident81.1Confident94 Ų9467.4 Ų67.450%0.50335%0.346SS..Hα-helixtrans-59.6-49.8174.9-62.6-24.3000110.5P1225 Q1231 S1232 T1233P1225-D1229 VanDerWaalsContact O-CG 3.25Å; P1225-D1229 PolarHBondContact O-N 2.95Å; D1229-Q1231 VanDerWaalsContact C-N 3.34Å; D1229-Q1231 PolarHBondContact O-N 3.27Å; D1229-S1232 PolarHBondContact O-N 2.87Å; D1229-S1232 VanDerWaalsContact O-N 3.09Å; D1229-S1232 PolarHBondContact O-OG 3.23Å; D1229-T1233 PolarHBondContact O-N 3.31Å; D1229-T1233 PolarHBondContact O-OG1 2.91Å; D1229-T1233 VanDerWaalsContact O-OG1 3.1Å
1230V82.1Confident81.4Confident14 Ų1461.7 Ų61.79%0.08533%0.325CS..Hα-helixtrans-60.2-40.1176.41730000112.2K1226 I1227 S1232 T1233 L1234 I1281 F1302K1226-V1230 VanDerWaalsContact O-CG2 3.28Å; K1226-V1230 WeakPolarHBondContact O-CG2 3.13Å; K1226-V1230 PolarHBondContact O-N 2.96Å; I1227-V1230 PolarHBondContact O-N 2.8Å; V1230-S1232 VanDerWaalsContact C-N 3.34Å; V1230-S1232 PolarHBondContact O-N 2.98Å; V1230-T1233 PolarHBondContact O-N 3.15Å; V1230-L1234 HydrophobicContact CG1-CD1 3.78Å; V1230-L1234 HydrophobicContact CG1-CG 4.42Å; V1230-L1234 VanDerWaalsContact O-CG 3.24Å; V1230-L1234 WeakPolarHBondContact O-CG 3.48Å; V1230-L1234 PolarHBondContact O-N 3.07Å; V1230-I1281 HydrophobicContact CG1-CD1 3.73Å; V1230-F1302 HydrophobicContact CB-CZ 4.29Å; V1230-F1302 HydrophobicContact CG1-CD2 4.32Å; V1230-F1302 HydrophobicContact CG1-CE1 4.19Å; V1230-F1302 HydrophobicContact CG1-CE2 3.88Å; V1230-F1302 HydrophobicContact CG1-CZ 3.83Å; V1230-F1302 HydrophobicContact CG2-CE1 3.75Å; V1230-F1302 HydrophobicContact CG2-CE2 4.34Å; V1230-F1302 HydrophobicContact CG2-CZ 3.52Å
1231Q81.8Confident82.1Confident38 Ų3857.9 Ų57.918%0.17831%0.311CS..Hα-helixtrans-64.3-37.4175-75.5-167.2-73.700112.1I1227 M1228 D1229 L1234 L1235 L1643I1227-Q1231 HydrophobicContact CG2-CG 4.34Å; I1227-Q1231 WeakPolarHBondContact O-CB 3.36Å; I1227-Q1231 WeakPolarHBondContact O-CG 3.49Å; I1227-Q1231 PolarHBondContact O-N 3.26Å; M1228-Q1231 PolarHBondContact O-N 2.91Å; D1229-Q1231 VanDerWaalsContact C-N 3.34Å; D1229-Q1231 PolarHBondContact O-N 3.27Å; Q1231-L1234 PolarHBondContact O-N 2.89Å; Q1231-L1235 WeakPolarHBondContact O-CG 3.36Å; Q1231-L1235 PolarHBondContact O-N 3.25Å; Q1231-L1235 VanDerWaalsContact O-N 3.08Å; Q1231-L1643 HydrophobicContact CG-CD1 3.82Å; Q1231-L1643 HydrophobicContact CG-CD2 4.13Å
1232S83Confident82.7Confident64 Ų6459 Ų5945%0.44832%0.315SS..Hα-helixtrans-64.7-42.217574.70000111.9M1228 D1229 V1230 L1234 L1235 T1236M1228-S1232 PolarHBondContact O-N 3.21Å; D1229-S1232 PolarHBondContact O-N 2.87Å; D1229-S1232 VanDerWaalsContact O-N 3.09Å; D1229-S1232 PolarHBondContact O-OG 3.23Å; V1230-S1232 VanDerWaalsContact C-N 3.34Å; V1230-S1232 PolarHBondContact O-N 2.98Å; S1232-L1234 VanDerWaalsContact C-N 3.28Å; S1232-L1234 PolarHBondContact O-N 3.36Å; S1232-L1235 PolarHBondContact O-N 3.32Å; S1232-T1236 PolarHBondContact O-N 2.76Å
1233T84.4Confident83.4Confident67 Ų6756.9 Ų56.941%0.41132%0.317SS..Hα-helixtrans-64.2-29.6174.7-44.90000113D1229 V1230 T1236D1229-T1233 PolarHBondContact O-N 3.31Å; D1229-T1233 PolarHBondContact O-OG1 2.91Å; D1229-T1233 VanDerWaalsContact O-OG1 3.1Å; V1230-T1233 PolarHBondContact O-N 3.15Å; T1233-T1236 PolarHBondContact O-OG1 3.34Å; T1233-T1236 VanDerWaalsContact O-OG1 3.11Å
1234L81.5Confident84Confident11 Ų1152.5 Ų52.56%0.05829%0.29CS..Hα-helixtrans-84.9-13.9177.4-66.7168.3000113.6R1173 V1230 Q1231 S1232 M1240 I1281R1173-L1234 PolarHBondContact NH2-O 2.66Å; V1230-L1234 HydrophobicContact CG1-CD1 3.78Å; V1230-L1234 HydrophobicContact CG1-CG 4.42Å; V1230-L1234 VanDerWaalsContact O-CG 3.24Å; V1230-L1234 WeakPolarHBondContact O-CG 3.48Å; V1230-L1234 PolarHBondContact O-N 3.07Å; Q1231-L1234 PolarHBondContact O-N 2.89Å; S1232-L1234 VanDerWaalsContact C-N 3.28Å; S1232-L1234 PolarHBondContact O-N 3.36Å; L1234-M1240 HydrophobicContact CD2-CE 4.31Å; L1234-I1281 HydrophobicContact CD1-CG2 3.76Å; L1234-I1281 HydrophobicContact CD2-CG2 4.33Å
1235L81.6Confident84.3Confident78 Ų7853.9 Ų53.941%0.40829%0.294SS..Hα-helixtrans-83.2-30.4171.7-76.9164000112L1154 Q1231 S1232L1154-L1235 HydrophobicContact CD1-CD2 3.81Å; Q1231-L1235 WeakPolarHBondContact O-CG 3.36Å; Q1231-L1235 PolarHBondContact O-N 3.25Å; Q1231-L1235 VanDerWaalsContact O-N 3.08Å; S1232-L1235 PolarHBondContact O-N 3.32Å
1236T80.5Confident84.6Confident115 Ų11553.3 Ų53.371%0.70629%0.286SS*.SBendtrans-81.1-12.5176.1550000114.3S1232 T1233S1232-T1236 PolarHBondContact O-N 2.76Å; T1233-T1236 PolarHBondContact O-OG1 3.34Å; T1233-T1236 VanDerWaalsContact O-OG1 3.11Å
1237R80.2Confident85.1Confident45 Ų4549.4 Ų49.417%0.1727%0.269CS..  trans-75.3130.8175-74.8-174.1-178.1-150.8-0.9112.5M617 R1173 M1240 G1283M617-R1237 PolarHBondContact O-NH1 3.43Å; M617-R1237 PolarHBondContact SD-NH2 2.98Å; R1173-R1237 PolarHBondContact NH2-O 3.38Å; R1237-M1240 HydrophobicContact CB-CE 4.26Å; R1237-M1240 HydrophobicContact CB-CG 4.23Å; R1237-M1240 HydrophobicContact CB-SD 3.8Å; R1237-G1283 VanDerWaalsContact NH1-CA 3.34Å; R1237-G1283 PolarHBondContact NH1-O 3.05Å
1238T77.2Confident85.1Confident65 Ų6549.7 Ų49.740%0.39928%0.276SS..  trans-90171.8171.455.30000112L865 M1240L865-T1238 HydrophobicContact CD2-CG2 4.21Å; T1238-M1240 VanDerWaalsContact C-N 3.33Å; T1238-M1240 PolarHBondContact O-N 3.05Å
1239H81.1Confident85.3Confident51 Ų5150.8 Ų50.824%0.23628%0.284CS..  trans55.940.1174.2-55.5-65.3000114.8A866 E1155 R1242A866-H1239 PolarHBondContact O-CE1 2.91Å; E1155-H1239 VanDerWaalsContact OE1-C 3.26Å; E1155-H1239 WeakPolarHBondContact OE1-CA 3.28Å; H1239-R1242 VanDerWaalsContact CB-NH1 3.32Å; H1239-R1242 PolarHBondContact O-NH1 2.68Å
1240M90.4Very high85.7Confident5 Ų547.5 Ų47.53%0.02527%0.265CS..  trans-87.8-11.9-177.9-60.3-69.8-88.800112.5E1155 L1234 R1237 T1238 C1256E1155-M1240 VanDerWaalsContact CD-N 3.33Å; E1155-M1240 PolarHBondContact OE1-N 2.85Å; E1155-M1240 WeakPolarHBondContact OE2-CB 3.44Å; E1155-M1240 PolarHBondContact OE2-N 3.36Å; L1234-M1240 HydrophobicContact CD2-CE 4.31Å; R1237-M1240 HydrophobicContact CB-CE 4.26Å; R1237-M1240 HydrophobicContact CB-CG 4.23Å; R1237-M1240 HydrophobicContact CB-SD 3.8Å; T1238-M1240 VanDerWaalsContact C-N 3.33Å; T1238-M1240 PolarHBondContact O-N 3.05Å; M1240-C1256 HydrophobicContact CB-CB 4.24Å; M1240-C1256 HydrophobicContact CE-CB 3.76Å; M1240-C1256 PolarHBondContact O-N 3.46Å; M1240-C1256 HydrophobicContact SD-CB 3.75Å
1241L93.9Very high86.2Confident11 Ų1148.3 Ų48.36%0.05827%0.267CS..EExtended strand (participates in β ladder)trans-93.696.6169.4-58.7-178.7000109.7E1155 L1157 M1171 R1173 I1178 V1253 V1255E1155-L1241 HydrophobicContact CG-CD1 4.12Å; E1155-L1241 HydrophobicContact CG-CG 4.2Å; E1155-L1241 WeakPolarHBondContact OE1-CB 3.4Å; E1155-L1241 PolarHBondContact OE1-N 2.86Å; E1155-L1241 PolarHBondContact OE2-N 3.2Å; L1157-L1241 HydrophobicContact CB-CB 4.3Å; L1157-L1241 HydrophobicContact CB-CD1 3.91Å; L1157-L1241 HydrophobicContact CD2-CB 3.93Å; M1171-L1241 HydrophobicContact CB-CD1 4.41Å; R1173-L1241 HydrophobicContact CB-CD1 4.2Å; R1173-L1241 HydrophobicContact CB-CG 4.48Å; I1178-L1241 HydrophobicContact CD1-CD2 3.88Å; L1241-V1253 HydrophobicContact CB-CG1 4.17Å; L1241-V1255 HydrophobicContact CD2-CG1 4.39Å; L1241-V1255 HydrophobicContact CD2-CG2 4.01Å
1242R93Very high86.8Confident29 Ų2946.5 Ų46.511%0.10926%0.258CS..EExtended strand (participates in β ladder)trans-98105-177.9-64.5-60.6-130.9-14321.2111L619 H1239 V1253 F1254 F1285L619-R1242 PolarHBondContact O-NH2 2.88Å; H1239-R1242 VanDerWaalsContact CB-NH1 3.32Å; H1239-R1242 PolarHBondContact O-NH1 2.68Å; R1242-V1253 CarbonylContact O-C 3.58Å; R1242-V1253 WeakPolarHBondContact O-CA 3.48Å; R1242-F1254 PolarHBondContact N-O 2.92Å; R1242-F1254 PolarHBondContact O-N 2.9Å; R1242-F1285 HydrophobicContact CB-CD1 3.77Å; R1242-F1285 HydrophobicContact CB-CE1 4.49Å; R1242-F1285 HydrophobicContact CG-CB 4.29Å; R1242-F1285 HydrophobicContact CG-CD1 4.31Å; R1242-F1285 WeakPolarHBondContact CG-O 3.36Å; R1242-F1285 PolarHBondContact NE-O 3.23Å
1243S93.3Very high87.4Confident64 Ų6443.5 Ų43.545%0.44824%0.237SC..EExtended strand (participates in β ladder)trans-63.5148.9170.447.10000111.7
1244F93.1Very high87.9Confident4 Ų440.3 Ų40.32%0.01822%0.218CC..EExtended strand (participates in β ladder)trans-145.9151.717364.8-97000111.6Y1159 I1247 G1252 V1253 F1254 W1262 F1264 F1285 P1287Y1159-F1244 PolarHBondContact OH-O 3.02Å; F1244-I1247 HydrophobicContact CB-CD1 3.56Å; F1244-I1247 HydrophobicContact CB-CG1 4.1Å; F1244-I1247 HydrophobicContact CD1-CD1 4.2Å; F1244-I1247 HydrophobicContact CD2-CB 3.95Å; F1244-I1247 HydrophobicContact CD2-CD1 3.58Å; F1244-I1247 HydrophobicContact CD2-CG1 3.72Å; F1244-I1247 HydrophobicContact CE2-CB 4.23Å; F1244-I1247 HydrophobicContact CE2-CD1 4.31Å; F1244-I1247 HydrophobicContact CE2-CG1 4.45Å; F1244-I1247 HydrophobicContact CG-CD1 3.53Å; F1244-I1247 HydrophobicContact CG-CG1 4.12Å; F1244-G1252 PolarHBondContact N-O 2.91Å; F1244-G1252 PolarHBondContact O-N 3.12Å; F1244-V1253 VanDerWaalsContact CE1-C 3.49Å; F1244-F1254 HydrophobicContact CD1-CB 4.2Å; F1244-F1254 HydrophobicContact CE1-CB 4.19Å; F1244-W1262 HydrophobicContact CD1-CZ3 4.49Å; F1244-W1262 AromaticContact CE1-CE3 3.75Å; F1244-W1262 HydrophobicContact CE1-CE3 3.75Å; F1244-W1262 AromaticContact CE1-CZ3 3.89Å; F1244-W1262 HydrophobicContact CE1-CZ3 3.89Å; F1244-W1262 HydrophobicContact CE2-CZ3 4.45Å; F1244-W1262 AromaticContact CZ-CE3 3.71Å; F1244-W1262 HydrophobicContact CZ-CE3 3.71Å; F1244-W1262 AromaticContact CZ-CZ3 3.89Å; F1244-W1262 HydrophobicContact CZ-CZ3 3.89Å; F1244-F1264 HydrophobicContact CE2-CD1 4.14Å; F1244-F1264 HydrophobicContact CE2-CE1 4.16Å; F1244-F1264 AromaticContact CZ-CD1 3.74Å; F1244-F1264 HydrophobicContact CZ-CD1 3.74Å; F1244-F1264 AromaticContact CZ-CE1 3.76Å; F1244-F1264 HydrophobicContact CZ-CE1 3.76Å; F1244-F1285 HydrophobicContact CB-CE1 4.46Å; F1244-F1285 HydrophobicContact CD1-CE1 4.25Å; F1244-F1285 HydrophobicContact CD1-CZ 4.39Å; F1244-P1287 HydrophobicContact CB-CB 4.3Å
1245E88.2Confident88.6Confident100 Ų10039.8 Ų39.847%0.46722%0.215SC..EExtended strand (participates in β ladder)trans-130.8148169.4-58.2-161.817800108.8K1165 I1247K1165-E1245 IonicContact NZ-OE1 2.74Å; K1165-E1245 PolarHBondContact NZ-OE1 2.81Å; K1165-E1245 IonicContact NZ-OE2 3.79Å; K1165-E1245 PolarHBondContact NZ-OE2 3.34Å; E1245-I1247 PolarHBondContact O-N 3.09Å
1246N86.6Confident89.1Confident71 Ų7136.2 Ų36.238%0.3820%0.196SC..EExtended strand (participates in β ladder)trans52.151.1179.7-160.811.8000115.8H1250 S1295N1246-H1250 PolarHBondContact N-O 2.79Å; N1246-S1295 WeakPolarHBondContact O-CB 3.42Å
1247I90.1Very high89.4Confident1 Ų130.9 Ų30.91%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-98109.1163.9-60.7-177.3000108F1244 E1245 D1249 H1250 W1262 F1285 P1287 S1295 F1297 L1311F1244-I1247 HydrophobicContact CB-CD1 3.56Å; F1244-I1247 HydrophobicContact CB-CG1 4.1Å; F1244-I1247 HydrophobicContact CD1-CD1 4.2Å; F1244-I1247 HydrophobicContact CD2-CB 3.95Å; F1244-I1247 HydrophobicContact CD2-CD1 3.58Å; F1244-I1247 HydrophobicContact CD2-CG1 3.72Å; F1244-I1247 HydrophobicContact CE2-CB 4.23Å; F1244-I1247 HydrophobicContact CE2-CD1 4.31Å; F1244-I1247 HydrophobicContact CE2-CG1 4.45Å; F1244-I1247 HydrophobicContact CG-CD1 3.53Å; F1244-I1247 HydrophobicContact CG-CG1 4.12Å; E1245-I1247 PolarHBondContact O-N 3.09Å; I1247-D1249 VanDerWaalsContact C-N 3.29Å; I1247-D1249 PolarHBondContact O-N 3.46Å; I1247-H1250 PolarHBondContact N-O 2.71Å; I1247-H1250 WeakPolarHBondContact O-CB 3.48Å; I1247-H1250 PolarHBondContact O-CE1 3.49Å; I1247-H1250 PolarHBondContact O-N 3.12Å; I1247-W1262 HydrophobicContact CD1-CZ3 4.27Å; I1247-W1262 HydrophobicContact CG2-CZ3 4.45Å; I1247-F1285 HydrophobicContact CD1-CE1 4.23Å; I1247-F1285 HydrophobicContact CD1-CZ 3.67Å; I1247-P1287 HydrophobicContact CD1-CB 4.11Å; I1247-P1287 HydrophobicContact CG1-CB 4.28Å; I1247-S1295 CarbonylContact C-O 3.59Å; I1247-S1295 WeakPolarHBondContact CA-O 3.3Å; I1247-F1297 HydrophobicContact CD1-CB 4.07Å; I1247-F1297 HydrophobicContact CD1-CD1 4.42Å; I1247-F1297 HydrophobicContact CG2-CD1 3.68Å; I1247-F1297 HydrophobicContact CG2-CE1 4.17Å; I1247-L1311 HydrophobicContact CG2-CD1 3.9Å; I1247-L1311 HydrophobicContact CG2-CG 3.9Å; I1247-L1311 WeakPolarHBondContact O-CD1 3.48Å
1248G82.4Confident89.6Confident20 Ų2029.5 Ų29.521%0.20616%0.164CC..THydrogen-bonded Turntrans47.749.9-175.900000112.7H1250 S1295G1248-H1250 CovalentContact O-CE1 1.8Å; G1248-H1250 PolarHBondContact O-CE1 3.25Å; G1248-H1250 PolarHBondContact O-N 3.06Å; G1248-H1250 VanDerWaalsContact O-N 3.15Å; G1248-H1250 PolarHBondContact O-ND1 3.05Å; G1248-H1250 PolarHBondContact O-NE2 2.83Å; G1248-S1295 PolarHBondContact N-O 3.33Å
1249D84.5Confident90.1Very high120 Ų12028 Ų2864%0.64215%0.154SC*.THydrogen-bonded Turntrans65.64.2-175.9-43.5-31.7000115.7I1247I1247-D1249 VanDerWaalsContact C-N 3.29Å; I1247-D1249 PolarHBondContact O-N 3.46Å
1250H91.1Very high90.6Very high24 Ų2425.6 Ų25.611%0.11114%0.143CC..EExtended strand (participates in β ladder)trans-104.8156.3177.4-58.281.1000112.6N1246 I1247 G1248 F1264 Y1315 S1316N1246-H1250 PolarHBondContact N-O 2.79Å; I1247-H1250 PolarHBondContact N-O 2.71Å; I1247-H1250 WeakPolarHBondContact O-CB 3.48Å; I1247-H1250 PolarHBondContact O-CE1 3.49Å; I1247-H1250 PolarHBondContact O-N 3.12Å; G1248-H1250 CovalentContact O-CE1 1.8Å; G1248-H1250 PolarHBondContact O-CE1 3.25Å; G1248-H1250 PolarHBondContact O-N 3.06Å; G1248-H1250 VanDerWaalsContact O-N 3.15Å; G1248-H1250 PolarHBondContact O-ND1 3.05Å; G1248-H1250 PolarHBondContact O-NE2 2.83Å; H1250-F1264 HydrophobicContact CB-CD1 3.7Å; H1250-F1264 HydrophobicContact CB-CE1 3.92Å; H1250-Y1315 PolarHBondContact NE2-O 2.71Å; H1250-S1316 WeakPolarHBondContact NE2-CA 3.22Å
1251R92.2Very high90.7Very high32 Ų3225.7 Ų25.712%0.12114%0.143CC..EExtended strand (participates in β ladder)trans-131.2148.5-179.954-177.7-90.9-148.9-10.5110P1160 G1162 I1163 A1265P1160-R1251 PolarHBondContact O-NH2 2.8Å; G1162-R1251 VanDerWaalsContact O-CZ 3.28Å; G1162-R1251 PolarHBondContact O-NH1 3.34Å; G1162-R1251 PolarHBondContact O-NH2 3.39Å; I1163-R1251 PolarHBondContact O-NH1 2.83Å; I1163-R1251 VanDerWaalsContact O-NH1 3.1Å; R1251-A1265 PolarHBondContact O-N 2.88Å
1252G94.6Very high90.7Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans163.8-149.8-178.600000115.5Y1159 F1244 L1263Y1159-G1252 WeakPolarHBondContact CE2-O 3.45Å; Y1159-G1252 PolarHBondContact OH-N 3.33Å; Y1159-G1252 VanDerWaalsContact OH-N 3.09Å; F1244-G1252 PolarHBondContact N-O 2.91Å; F1244-G1252 PolarHBondContact O-N 3.12Å; G1252-L1263 CarbonylContact C-O 3.49Å; G1252-L1263 WeakPolarHBondContact CA-O 3.42Å
1253V95.7Very high90.9Very high1 Ų123.8 Ų23.81%0.00614%0.135CC..EExtended strand (participates in β ladder)trans-132134.1177.8-179.70000109.5L1157 Y1159 M1171 L1241 R1242 F1244 L1263L1157-V1253 HydrophobicContact CD2-CB 4.48Å; L1157-V1253 HydrophobicContact CD2-CG1 3.81Å; L1157-V1253 HydrophobicContact CD2-CG2 3.75Å; Y1159-V1253 HydrophobicContact CD1-CG2 4.46Å; Y1159-V1253 HydrophobicContact CD2-CG2 3.72Å; Y1159-V1253 HydrophobicContact CE2-CG2 4.31Å; Y1159-V1253 HydrophobicContact CG-CG2 3.82Å; M1171-V1253 HydrophobicContact CE-CB 4.29Å; M1171-V1253 HydrophobicContact CE-CG2 3.83Å; M1171-V1253 HydrophobicContact SD-CB 4.12Å; M1171-V1253 HydrophobicContact SD-CG1 4.28Å; M1171-V1253 HydrophobicContact SD-CG2 3.9Å; L1241-V1253 HydrophobicContact CB-CG1 4.17Å; R1242-V1253 CarbonylContact O-C 3.58Å; R1242-V1253 WeakPolarHBondContact O-CA 3.48Å; F1244-V1253 VanDerWaalsContact CE1-C 3.49Å; V1253-L1263 HydrophobicContact CB-CB 4.31Å; V1253-L1263 HydrophobicContact CB-CD1 4.25Å; V1253-L1263 HydrophobicContact CG1-CD1 4.4Å; V1253-L1263 PolarHBondContact N-O 3.09Å; V1253-L1263 WeakPolarHBondContact O-CA 3.47Å; V1253-L1263 VanDerWaalsContact O-CB 3.25Å; V1253-L1263 WeakPolarHBondContact O-CB 3.47Å; V1253-L1263 PolarHBondContact O-N 3.37Å
1254F95.8Very high90.9Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-101.3134.7170.3-174.3-102.3000110.3R1242 F1244 P1260 I1261 W1262 H1276 M1282 F1285R1242-F1254 PolarHBondContact N-O 2.92Å; R1242-F1254 PolarHBondContact O-N 2.9Å; F1244-F1254 HydrophobicContact CD1-CB 4.2Å; F1244-F1254 HydrophobicContact CE1-CB 4.19Å; F1254-P1260 HydrophobicContact CE1-CB 4.49Å; F1254-P1260 HydrophobicContact CE2-CB 4.47Å; F1254-P1260 HydrophobicContact CZ-CB 3.78Å; F1254-I1261 WeakPolarHBondContact CD2-O 3.31Å; F1254-W1262 AromaticContact CD2-CD2 3.59Å; F1254-W1262 HydrophobicContact CD2-CD2 3.59Å; F1254-W1262 AromaticContact CD2-CE2 3.65Å; F1254-W1262 AromaticContact CD2-CE3 4Å; F1254-W1262 HydrophobicContact CD2-CE3 4Å; F1254-W1262 AromaticContact CD2-CG 3.87Å; F1254-W1262 HydrophobicContact CD2-CG 3.87Å; F1254-W1262 HydrophobicContact CD2-CH2 4.47Å; F1254-W1262 HydrophobicContact CD2-CZ2 4.11Å; F1254-W1262 HydrophobicContact CD2-CZ3 4.42Å; F1254-W1262 AromaticContact CD2-NE1 3.94Å; F1254-W1262 AromaticContact CE2-CD1 3.79Å; F1254-W1262 HydrophobicContact CE2-CD2 4.01Å; F1254-W1262 AromaticContact CE2-CE2 3.65Å; F1254-W1262 HydrophobicContact CE2-CG 4.09Å; F1254-W1262 HydrophobicContact CE2-CZ2 4.16Å; F1254-W1262 AromaticContact CE2-NE1 3.52Å; F1254-H1276 HydrophobicContact CE2-CB 4.3Å; F1254-H1276 AromaticContact CE2-ND1 3.66Å; F1254-H1276 AromaticContact CZ-ND1 3.8Å; F1254-M1282 HydrophobicContact CE1-CB 4.48Å; F1254-M1282 HydrophobicContact CE1-SD 4.04Å; F1254-M1282 HydrophobicContact CZ-SD 3.64Å; F1254-F1285 HydrophobicContact CB-CD1 3.85Å; F1254-F1285 HydrophobicContact CB-CD2 4.32Å; F1254-F1285 HydrophobicContact CB-CE1 3.7Å; F1254-F1285 HydrophobicContact CB-CE2 4.16Å; F1254-F1285 HydrophobicContact CB-CG 4.17Å; F1254-F1285 HydrophobicContact CB-CZ 3.86Å; F1254-F1285 HydrophobicContact CD1-CB 3.56Å; F1254-F1285 AromaticContact CD1-CD1 3.94Å; F1254-F1285 HydrophobicContact CD1-CD1 3.94Å; F1254-F1285 AromaticContact CD1-CD2 3.44Å; F1254-F1285 HydrophobicContact CD1-CD2 3.44Å; F1254-F1285 VanDerWaalsContact CD1-CD2 3.44Å; F1254-F1285 HydrophobicContact CD1-CE1 4.47Å; F1254-F1285 HydrophobicContact CD1-CE2 4.01Å; F1254-F1285 AromaticContact CD1-CG 3.39Å; F1254-F1285 HydrophobicContact CD1-CG 3.39Å; F1254-F1285 HydrophobicContact CD1-CZ 4.5Å; F1254-F1285 HydrophobicContact CD2-CD2 4.45Å; F1254-F1285 HydrophobicContact CD2-CE2 4.28Å; F1254-F1285 HydrophobicContact CE1-CB 3.94Å; F1254-F1285 AromaticContact CE1-CD2 3.78Å; F1254-F1285 HydrophobicContact CE1-CD2 3.78Å; F1254-F1285 HydrophobicContact CE1-CG 4.02Å; F1254-F1285 HydrophobicContact CG-CD1 4.16Å; F1254-F1285 AromaticContact CG-CD2 3.8Å; F1254-F1285 HydrophobicContact CG-CD2 3.8Å; F1254-F1285 HydrophobicContact CG-CE1 4.24Å; F1254-F1285 AromaticContact CG-CE2 3.87Å; F1254-F1285 HydrophobicContact CG-CE2 3.87Å; F1254-F1285 AromaticContact CG-CG 3.94Å; F1254-F1285 HydrophobicContact CG-CG 3.94Å; F1254-F1285 HydrophobicContact CG-CZ 4.09Å; F1254-F1285 HydrophobicContact CZ-CD2 4.43Å
1255V94.7Very high90.9Very high0 Ų020.8 Ų20.80%011%0.114CC..EExtended strand (participates in β ladder)trans-103.2114.6-179.3-177.50000108.4I1178 L1215 L1241 P1260 I1261 L1263I1178-V1255 HydrophobicContact CD1-CB 4.22Å; I1178-V1255 HydrophobicContact CD1-CG1 3.61Å; I1178-V1255 HydrophobicContact CD1-CG2 3.51Å; L1215-V1255 HydrophobicContact CD2-CG1 4.4Å; L1241-V1255 HydrophobicContact CD2-CG1 4.39Å; L1241-V1255 HydrophobicContact CD2-CG2 4.01Å; V1255-P1260 VanDerWaalsContact O-CA 3.26Å; V1255-P1260 WeakPolarHBondContact O-CA 3.45Å; V1255-I1261 HydrophobicContact CB-CB 4.06Å; V1255-I1261 WeakPolarHBondContact CB-O 3.08Å; V1255-I1261 HydrophobicContact CG2-CB 4.24Å; V1255-I1261 PolarHBondContact N-O 3.36Å; V1255-I1261 PolarHBondContact O-N 3.27Å; V1255-I1261 VanDerWaalsContact O-N 3.13Å; V1255-L1263 HydrophobicContact CG2-CD1 3.6Å; V1255-L1263 HydrophobicContact CG2-CG 4.03Å
1256C91.9Very high90.9Very high3 Ų316 Ų162%0.029%0.092CC..  trans-80.9160.9174.1-600000111.6M1240M1240-C1256 HydrophobicContact CB-CB 4.24Å; M1240-C1256 HydrophobicContact CE-CB 3.76Å; M1240-C1256 PolarHBondContact O-N 3.46Å; M1240-C1256 HydrophobicContact SD-CB 3.75Å
1257G88.5Confident90.7Very high3 Ų315.1 Ų15.13%0.0319%0.087CC..BIsolated β-bridgetrans126.3-157170.200000115N1259 M1282G1257-N1259 PolarHBondContact O-N 3.11Å; G1257-M1282 WeakPolarHBondContact CA-O 3.49Å; G1257-M1282 PolarHBondContact N-O 3.37Å; G1257-M1282 PolarHBondContact O-N 2.71Å
1258G84Confident90.3Very high16 Ų1616.6 Ų16.617%0.16510%0.098CC..SBendtrans-75.8-5.5-175.200000115.4H1641 A1642G1258-H1641 PolarHBondContact O-CE1 3.48Å; G1258-H1641 VanDerWaalsContact O-CE1 3.26Å; G1258-A1642 WeakPolarHBondContact O-CB 3.38Å
1259N87.1Confident90.4Very high34 Ų3415.6 Ų15.618%0.1829%0.088CC..SBendtrans-142.884.7167.6-175.528.8000107.6P1214 G1257P1214-N1259 PolarHBondContact O-ND2 3.43Å; P1214-N1259 VanDerWaalsContact O-ND2 3.12Å; G1257-N1259 PolarHBondContact O-N 3.11Å
1260P91Very high90.6Very high0 Ų010.9 Ų10.90%06%0.062CC..  trans-73.6136.4-17521.4-23.3000112.5F1254 V1255 H1276 G1280 M1282 A1642F1254-P1260 HydrophobicContact CE1-CB 4.49Å; F1254-P1260 HydrophobicContact CE2-CB 4.47Å; F1254-P1260 HydrophobicContact CZ-CB 3.78Å; V1255-P1260 VanDerWaalsContact O-CA 3.26Å; V1255-P1260 WeakPolarHBondContact O-CA 3.45Å; P1260-H1276 HydrophobicContact CB-CB 3.99Å; P1260-H1276 HydrophobicContact CG-CB 4.06Å; P1260-H1276 WeakPolarHBondContact O-CB 3.33Å; P1260-H1276 PolarHBondContact O-N 3.36Å; P1260-G1280 VanDerWaalsContact CG-O 3.23Å; P1260-G1280 WeakPolarHBondContact CG-O 3.26Å; P1260-M1282 HydrophobicContact CB-CB 4.24Å; P1260-M1282 HydrophobicContact CB-CG 4.21Å; P1260-M1282 HydrophobicContact CG-CB 4.49Å; P1260-M1282 HydrophobicContact CG-CG 4.16Å; P1260-A1642 HydrophobicContact CG-CB 4.35Å
1261I93.4Very high90.6Very high7 Ų710.1 Ų10.14%0.0366%0.058CC..EExtended strand (participates in β ladder)trans-139.1135.7-169.4-63.2170.3000110.8C1213 L1215 F1254 V1255 L1263 V1273 F1274C1213-I1261 VanDerWaalsContact SG-CD1 3.59Å; L1215-I1261 HydrophobicContact CD2-CD1 4.26Å; F1254-I1261 WeakPolarHBondContact CD2-O 3.31Å; V1255-I1261 HydrophobicContact CB-CB 4.06Å; V1255-I1261 WeakPolarHBondContact CB-O 3.08Å; V1255-I1261 HydrophobicContact CG2-CB 4.24Å; V1255-I1261 PolarHBondContact N-O 3.36Å; V1255-I1261 PolarHBondContact O-N 3.27Å; V1255-I1261 VanDerWaalsContact O-N 3.13Å; I1261-L1263 HydrophobicContact CG2-CD2 3.89Å; I1261-L1263 HydrophobicContact CG2-CG 4.34Å; I1261-V1273 HydrophobicContact CG2-CG1 3.63Å; I1261-F1274 CarbonylContact C-O 3.58Å; I1261-F1274 WeakPolarHBondContact CA-O 3.42Å
1262W94.5Very high90.7Very high0 Ų09.6 Ų9.60%06%0.056CC..EExtended strand (participates in β ladder)trans-90.5132.8166.5-6383.1000110.6V603 F1244 I1247 F1254 F1264 F1274 H1276 F1285 F1297 L1311V603-W1262 VanDerWaalsContact CB-CD1 3.44Å; V603-W1262 HydrophobicContact CB-CG 4.14Å; V603-W1262 HydrophobicContact CG1-CD2 4.37Å; V603-W1262 HydrophobicContact CG1-CG 4.44Å; V603-W1262 HydrophobicContact CG1-CZ2 4.28Å; V603-W1262 HydrophobicContact CG2-CB 4.13Å; V603-W1262 VanDerWaalsContact CG2-CD1 3.49Å; V603-W1262 HydrophobicContact CG2-CD2 4.37Å; V603-W1262 HydrophobicContact CG2-CG 3.75Å; F1244-W1262 HydrophobicContact CD1-CZ3 4.49Å; F1244-W1262 AromaticContact CE1-CE3 3.75Å; F1244-W1262 HydrophobicContact CE1-CE3 3.75Å; F1244-W1262 AromaticContact CE1-CZ3 3.89Å; F1244-W1262 HydrophobicContact CE1-CZ3 3.89Å; F1244-W1262 HydrophobicContact CE2-CZ3 4.45Å; F1244-W1262 AromaticContact CZ-CE3 3.71Å; F1244-W1262 HydrophobicContact CZ-CE3 3.71Å; F1244-W1262 AromaticContact CZ-CZ3 3.89Å; F1244-W1262 HydrophobicContact CZ-CZ3 3.89Å; I1247-W1262 HydrophobicContact CD1-CZ3 4.27Å; I1247-W1262 HydrophobicContact CG2-CZ3 4.45Å; F1254-W1262 AromaticContact CD2-CD2 3.59Å; F1254-W1262 HydrophobicContact CD2-CD2 3.59Å; F1254-W1262 AromaticContact CD2-CE2 3.65Å; F1254-W1262 AromaticContact CD2-CE3 4Å; F1254-W1262 HydrophobicContact CD2-CE3 4Å; F1254-W1262 AromaticContact CD2-CG 3.87Å; F1254-W1262 HydrophobicContact CD2-CG 3.87Å; F1254-W1262 HydrophobicContact CD2-CH2 4.47Å; F1254-W1262 HydrophobicContact CD2-CZ2 4.11Å; F1254-W1262 HydrophobicContact CD2-CZ3 4.42Å; F1254-W1262 AromaticContact CD2-NE1 3.94Å; F1254-W1262 AromaticContact CE2-CD1 3.79Å; F1254-W1262 HydrophobicContact CE2-CD2 4.01Å; F1254-W1262 AromaticContact CE2-CE2 3.65Å; F1254-W1262 HydrophobicContact CE2-CG 4.09Å; F1254-W1262 HydrophobicContact CE2-CZ2 4.16Å; F1254-W1262 AromaticContact CE2-NE1 3.52Å; W1262-F1264 HydrophobicContact CB-CD2 4.21Å; W1262-F1264 HydrophobicContact CB-CE2 3.68Å; W1262-F1264 HydrophobicContact CB-CZ 3.86Å; W1262-F1264 HydrophobicContact CD2-CE1 4.37Å; W1262-F1264 AromaticContact CD2-CZ 3.88Å; W1262-F1264 HydrophobicContact CD2-CZ 3.88Å; W1262-F1264 AromaticContact CE3-CE1 3.67Å; W1262-F1264 HydrophobicContact CE3-CE1 3.67Å; W1262-F1264 AromaticContact CE3-CZ 3.65Å; W1262-F1264 HydrophobicContact CE3-CZ 3.65Å; W1262-F1264 HydrophobicContact CG-CE2 4.22Å; W1262-F1264 HydrophobicContact CG-CZ 4.01Å; W1262-F1264 HydrophobicContact CZ3-CE1 4.3Å; W1262-F1264 HydrophobicContact CZ3-CZ 4.47Å; W1262-F1274 HydrophobicContact CB-CB 4.35Å; W1262-F1274 PolarHBondContact N-O 2.88Å; W1262-F1274 PolarHBondContact O-N 2.9Å; W1262-H1276 AromaticContact CE2-ND1 3.9Å; W1262-H1276 AromaticContact NE1-CG 3.73Å; W1262-H1276 AromaticContact NE1-ND1 3.13Å; W1262-H1276 PolarHBondContact NE1-ND1 3.17Å; W1262-H1276 VanDerWaalsContact NE1-ND1 3.13Å; W1262-F1285 AromaticContact CH2-CE2 3.62Å; W1262-F1285 HydrophobicContact CH2-CE2 3.62Å; W1262-F1285 AromaticContact CH2-CZ 3.81Å; W1262-F1285 HydrophobicContact CH2-CZ 3.81Å; W1262-F1285 HydrophobicContact CZ2-CE2 4.12Å; W1262-F1285 HydrophobicContact CZ3-CE2 4.21Å; W1262-F1285 AromaticContact CZ3-CZ 3.97Å; W1262-F1285 HydrophobicContact CZ3-CZ 3.97Å; W1262-F1297 AromaticContact CH2-CD1 3.82Å; W1262-F1297 HydrophobicContact CH2-CD1 3.82Å; W1262-F1297 HydrophobicContact CH2-CD2 4.2Å; W1262-F1297 AromaticContact CH2-CE1 3.59Å; W1262-F1297 HydrophobicContact CH2-CE1 3.59Å; W1262-F1297 AromaticContact CH2-CE2 3.99Å; W1262-F1297 HydrophobicContact CH2-CE2 3.99Å; W1262-F1297 HydrophobicContact CH2-CG 4.12Å; W1262-F1297 AromaticContact CH2-CZ 3.67Å; W1262-F1297 HydrophobicContact CH2-CZ 3.67Å; W1262-F1297 HydrophobicContact CZ2-CD2 4.42Å; W1262-F1297 AromaticContact CZ2-CE1 3.94Å; W1262-F1297 HydrophobicContact CZ2-CE1 3.94Å; W1262-F1297 AromaticContact CZ2-CE2 3.81Å; W1262-F1297 HydrophobicContact CZ2-CE2 3.81Å; W1262-F1297 AromaticContact CZ2-CZ 3.54Å; W1262-F1297 HydrophobicContact CZ2-CZ 3.54Å; W1262-L1311 HydrophobicContact CH2-CD2 4.19Å; W1262-L1311 HydrophobicContact CZ2-CD2 4.25Å
1263L95.5Very high90.6Very high0 Ų012 Ų120%07%0.071CC..EExtended strand (participates in β ladder)trans-117.984.6175.1-55.2170.7000108.5M1171 F1180 G1252 V1253 V1255 I1261 L1271 R1272 V1273M1171-L1263 HydrophobicContact CE-CD1 4.38Å; M1171-L1263 HydrophobicContact SD-CD1 3.87Å; F1180-L1263 HydrophobicContact CE1-CD1 3.92Å; F1180-L1263 HydrophobicContact CE1-CD2 4.32Å; F1180-L1263 HydrophobicContact CZ-CD1 4.12Å; F1180-L1263 HydrophobicContact CZ-CD2 3.89Å; G1252-L1263 CarbonylContact C-O 3.49Å; G1252-L1263 WeakPolarHBondContact CA-O 3.42Å; V1253-L1263 HydrophobicContact CB-CB 4.31Å; V1253-L1263 HydrophobicContact CB-CD1 4.25Å; V1253-L1263 HydrophobicContact CG1-CD1 4.4Å; V1253-L1263 PolarHBondContact N-O 3.09Å; V1253-L1263 WeakPolarHBondContact O-CA 3.47Å; V1253-L1263 VanDerWaalsContact O-CB 3.25Å; V1253-L1263 WeakPolarHBondContact O-CB 3.47Å; V1253-L1263 PolarHBondContact O-N 3.37Å; V1255-L1263 HydrophobicContact CG2-CD1 3.6Å; V1255-L1263 HydrophobicContact CG2-CG 4.03Å; I1261-L1263 HydrophobicContact CG2-CD2 3.89Å; I1261-L1263 HydrophobicContact CG2-CG 4.34Å; L1263-L1271 HydrophobicContact CB-CD1 4.24Å; L1263-L1271 HydrophobicContact CB-CG 4.48Å; L1263-R1272 CarbonylContact C-O 3.57Å; L1263-R1272 VanDerWaalsContact CA-O 3.31Å; L1263-R1272 WeakPolarHBondContact CA-O 3.48Å; L1263-V1273 HydrophobicContact CD2-CB 4.26Å; L1263-V1273 HydrophobicContact CD2-CG1 3.97Å; L1263-V1273 HydrophobicContact CD2-CG2 3.83Å
1264F95Very high90.5Very high1 Ų112 Ų120%0.0047%0.071CC..EExtended strand (participates in β ladder)trans-78.1129.9-179.9-61.1-69.3000110.8V603 F1244 H1250 W1262 L1271 R1272 F1274 L1311 F1317V603-F1264 HydrophobicContact CG2-CE2 3.71Å; V603-F1264 HydrophobicContact CG2-CZ 4Å; F1244-F1264 HydrophobicContact CE2-CD1 4.14Å; F1244-F1264 HydrophobicContact CE2-CE1 4.16Å; F1244-F1264 AromaticContact CZ-CD1 3.74Å; F1244-F1264 HydrophobicContact CZ-CD1 3.74Å; F1244-F1264 AromaticContact CZ-CE1 3.76Å; F1244-F1264 HydrophobicContact CZ-CE1 3.76Å; H1250-F1264 HydrophobicContact CB-CD1 3.7Å; H1250-F1264 HydrophobicContact CB-CE1 3.92Å; W1262-F1264 HydrophobicContact CB-CD2 4.21Å; W1262-F1264 HydrophobicContact CB-CE2 3.68Å; W1262-F1264 HydrophobicContact CB-CZ 3.86Å; W1262-F1264 HydrophobicContact CD2-CE1 4.37Å; W1262-F1264 AromaticContact CD2-CZ 3.88Å; W1262-F1264 HydrophobicContact CD2-CZ 3.88Å; W1262-F1264 AromaticContact CE3-CE1 3.67Å; W1262-F1264 HydrophobicContact CE3-CE1 3.67Å; W1262-F1264 AromaticContact CE3-CZ 3.65Å; W1262-F1264 HydrophobicContact CE3-CZ 3.65Å; W1262-F1264 HydrophobicContact CG-CE2 4.22Å; W1262-F1264 HydrophobicContact CG-CZ 4.01Å; W1262-F1264 HydrophobicContact CZ3-CE1 4.3Å; W1262-F1264 HydrophobicContact CZ3-CZ 4.47Å; F1264-L1271 CarbonylContact O-C 3.57Å; F1264-L1271 WeakPolarHBondContact O-CA 3.3Å; F1264-R1272 HydrophobicContact CB-CB 4.46Å; F1264-R1272 PolarHBondContact N-O 3.15Å; F1264-R1272 PolarHBondContact O-N 3.48Å; F1264-F1274 AromaticContact CD2-CD2 3.68Å; F1264-F1274 HydrophobicContact CD2-CD2 3.68Å; F1264-F1274 HydrophobicContact CD2-CE2 4.09Å; F1264-F1274 AromaticContact CE2-CD2 3.95Å; F1264-F1274 HydrophobicContact CE2-CD2 3.95Å; F1264-L1311 HydrophobicContact CE1-CD1 4.21Å; F1264-L1311 HydrophobicContact CZ-CD1 4.28Å; F1264-F1317 HydrophobicContact CD2-CB 3.38Å; F1264-F1317 HydrophobicContact CD2-CG 4.01Å; F1264-F1317 HydrophobicContact CE2-CB 3.47Å; F1264-F1317 VanDerWaalsContact CE2-CB 3.47Å; F1264-F1317 AromaticContact CE2-CD1 3.94Å; F1264-F1317 HydrophobicContact CE2-CD1 3.94Å; F1264-F1317 HydrophobicContact CE2-CD2 4.03Å; F1264-F1317 AromaticContact CE2-CG 3.54Å; F1264-F1317 HydrophobicContact CE2-CG 3.54Å; F1264-F1317 HydrophobicContact CG-CB 4.01Å; F1264-F1317 HydrophobicContact CZ-CB 4.17Å; F1264-F1317 HydrophobicContact CZ-CD2 4.02Å; F1264-F1317 HydrophobicContact CZ-CG 4.02Å
1265A93Very high90.2Very high3 Ų313.3 Ų13.33%0.0258%0.079CC..EExtended strand (participates in β ladder)trans-93.2116.6172.400000109.1Y1159 I1161 R1251 L1271Y1159-A1265 HydrophobicContact CD1-CB 4.45Å; Y1159-A1265 HydrophobicContact CE1-CB 3.74Å; I1161-A1265 HydrophobicContact CB-CB 4.24Å; I1161-A1265 HydrophobicContact CG2-CB 3.79Å; R1251-A1265 PolarHBondContact O-N 2.88Å; A1265-L1271 HydrophobicContact CB-CD1 4.36Å
1266T88.4Confident89.8Confident0 Ų013.8 Ų13.80%08%0.081CC..PPolyproline II helixtrans-80.9152.6-177.476.10000111.3S1268 G1269 Q1270 R1272 N1318T1266-S1268 PolarHBondContact O-N 3.42Å; T1266-S1268 PolarHBondContact OG1-OG 2.73Å; T1266-G1269 PolarHBondContact O-N 3.01Å; T1266-G1269 PolarHBondContact OG1-N 3.2Å; T1266-Q1270 HydrophobicContact CG2-CB 4.2Å; T1266-Q1270 PolarHBondContact N-O 3.34Å; T1266-Q1270 WeakPolarHBondContact OG1-CB 3.35Å; T1266-Q1270 PolarHBondContact OG1-N 2.98Å; T1266-Q1270 PolarHBondContact OG1-O 3.09Å; T1266-R1272 HydrophobicContact CG2-CG 3.8Å; T1266-N1318 HydrophobicContact CG2-CB 4.28Å; T1266-N1318 WeakPolarHBondContact CG2-O 3.48Å
1267D80.7Confident88.8Confident53 Ų5315 Ų1528%0.2839%0.091SC..THydrogen-bonded Turntrans-52.9-42.8171-65-16.9000111.3R64 G1162 I1163 G1269R64-D1267 IonicContact NH1-OD2 2.91Å; R64-D1267 PolarHBondContact NH1-OD2 2.88Å; G1162-D1267 WeakPolarHBondContact CA-O 3.27Å; I1163-D1267 HydrophobicContact CD1-CB 4.43Å; I1163-D1267 VanDerWaalsContact CD1-O 3.31Å; I1163-D1267 WeakPolarHBondContact CD1-O 3.41Å; I1163-D1267 HydrophobicContact CG1-CB 3.83Å; I1163-D1267 VanDerWaalsContact CG1-O 3.27Å; I1163-D1267 WeakPolarHBondContact CG1-O 3.21Å; I1163-D1267 PolarHBondContact N-O 3.43Å; D1267-G1269 PolarHBondContact O-N 3.09Å
1268S82.8Confident87.9Confident31 Ų3115.9 Ų15.922%0.2179%0.094CC..THydrogen-bonded Turntrans-67.51.7176.958.70000115F65 W67 T1266F65-S1268 WeakPolarHBondContact O-CA 3.48Å; F65-S1268 WeakPolarHBondContact O-CB 3.15Å; W67-S1268 WeakPolarHBondContact CB-O 3.44Å; W67-S1268 PolarHBondContact N-O 2.93Å; T1266-S1268 PolarHBondContact O-N 3.42Å; T1266-S1268 PolarHBondContact OG1-OG 2.73Å
1269G83.8Confident87.4Confident0 Ų016.6 Ų16.60%09%0.094CC..SBendtrans75.741.1175.500000113.7R1167 T1266 D1267R1167-G1269 VanDerWaalsContact CZ-O 3.29Å; R1167-G1269 PolarHBondContact NH1-O 3.4Å; R1167-G1269 PolarHBondContact NH2-O 2.92Å; T1266-G1269 PolarHBondContact O-N 3.01Å; T1266-G1269 PolarHBondContact OG1-N 3.2Å; D1267-G1269 PolarHBondContact O-N 3.09Å
1270Q88.5Confident87Confident20 Ų2015.1 Ų15.19%0.0939%0.087CC..  trans-117.3162.2168.7-61.8-179.8-20.400109.9W67 T1266W67-Q1270 HydrophobicContact CB-CG 3.88Å; W67-Q1270 HydrophobicContact CD2-CG 3.79Å; W67-Q1270 HydrophobicContact CE3-CG 3.87Å; W67-Q1270 HydrophobicContact CG-CG 3.84Å; T1266-Q1270 HydrophobicContact CG2-CB 4.2Å; T1266-Q1270 PolarHBondContact N-O 3.34Å; T1266-Q1270 WeakPolarHBondContact OG1-CB 3.35Å; T1266-Q1270 PolarHBondContact OG1-N 2.98Å; T1266-Q1270 PolarHBondContact OG1-O 3.09Å
1271L92Very high86.6Confident8 Ų815.2 Ų15.24%0.0429%0.088CC..EExtended strand (participates in β ladder)trans-114.3127.8170.5-16675.9000108.6I1161 M1171 F1180 L1211 L1263 F1264 A1265I1161-L1271 HydrophobicContact CG2-CD1 4.43Å; M1171-L1271 HydrophobicContact CE-CD1 4.11Å; M1171-L1271 HydrophobicContact CE-CD2 4.02Å; F1180-L1271 HydrophobicContact CD1-CD2 3.59Å; F1180-L1271 HydrophobicContact CE1-CD2 3.48Å; F1180-L1271 VanDerWaalsContact CE1-CD2 3.48Å; F1180-L1271 HydrophobicContact CG-CD2 4.28Å; F1180-L1271 HydrophobicContact CZ-CD2 4.09Å; L1211-L1271 HydrophobicContact CD1-CB 3.91Å; L1211-L1271 HydrophobicContact CD1-CD2 4.12Å; L1263-L1271 HydrophobicContact CB-CD1 4.24Å; L1263-L1271 HydrophobicContact CB-CG 4.48Å; F1264-L1271 CarbonylContact O-C 3.57Å; F1264-L1271 WeakPolarHBondContact O-CA 3.3Å; A1265-L1271 HydrophobicContact CB-CD1 4.36Å
1272R93.4Very high86.3Confident21 Ų2114.9 Ų14.98%0.0799%0.086CC..EExtended strand (participates in β ladder)trans-108.9132.8178.3-61.8-62.4-168.1-141.67110.3L1263 F1264 T1266 F1274 N1318 E1319 H1320L1263-R1272 CarbonylContact C-O 3.57Å; L1263-R1272 VanDerWaalsContact CA-O 3.31Å; L1263-R1272 WeakPolarHBondContact CA-O 3.48Å; F1264-R1272 HydrophobicContact CB-CB 4.46Å; F1264-R1272 PolarHBondContact N-O 3.15Å; F1264-R1272 PolarHBondContact O-N 3.48Å; T1266-R1272 HydrophobicContact CG2-CG 3.8Å; R1272-F1274 HydrophobicContact CB-CD2 4.12Å; R1272-F1274 HydrophobicContact CB-CE2 3.67Å; R1272-F1274 HydrophobicContact CG-CE2 4.48Å; R1272-N1318 PolarHBondContact NE-O 3.15Å; R1272-N1318 PolarHBondContact NH2-O 2.94Å; R1272-E1319 VanDerWaalsContact CD-O 3.27Å; R1272-E1319 WeakPolarHBondContact CD-O 3.06Å; R1272-E1319 IonicContact CZ-OE2 2.69Å; R1272-E1319 PolarHBondContact NE-O 3.18Å; R1272-E1319 IonicContact NH2-OE2 2.8Å; R1272-E1319 PolarHBondContact NH2-OE2 3.38Å; R1272-H1320 VanDerWaalsContact CZ-CE1 3.48Å; R1272-H1320 PolarHBondContact NH1-CE1 3.28Å; R1272-H1320 PolarHBondContact NH1-NE2 3.09Å; R1272-H1320 PolarHBondContact NH2-CE1 3.36Å; R1272-H1320 PolarHBondContact NH2-ND1 3.02Å
1273V93.5Very high85.8Confident50 Ų5015 Ų1530%0.3039%0.088SC..EExtended strand (participates in β ladder)trans-110.6114-174.9-1740000108.9I1261 L1263I1261-V1273 HydrophobicContact CG2-CG1 3.63Å; L1263-V1273 HydrophobicContact CD2-CB 4.26Å; L1263-V1273 HydrophobicContact CD2-CG1 3.97Å; L1263-V1273 HydrophobicContact CD2-CG2 3.83Å
1274F92.9Very high85.5Confident2 Ų215.3 Ų15.31%0.0099%0.089CC..EExtended strand (participates in β ladder)trans-125.6123178.7-71.3-90.2000111.3T601 V603 I1261 W1262 F1264 R1272 F1317 E1319 L1321 G1322T601-F1274 WeakPolarHBondContact O-CD1 3.31Å; V603-F1274 HydrophobicContact CG2-CB 3.8Å; V603-F1274 HydrophobicContact CG2-CG 4.33Å; I1261-F1274 CarbonylContact C-O 3.58Å; I1261-F1274 WeakPolarHBondContact CA-O 3.42Å; W1262-F1274 HydrophobicContact CB-CB 4.35Å; W1262-F1274 PolarHBondContact N-O 2.88Å; W1262-F1274 PolarHBondContact O-N 2.9Å; F1264-F1274 AromaticContact CD2-CD2 3.68Å; F1264-F1274 HydrophobicContact CD2-CD2 3.68Å; F1264-F1274 HydrophobicContact CD2-CE2 4.09Å; F1264-F1274 AromaticContact CE2-CD2 3.95Å; F1264-F1274 HydrophobicContact CE2-CD2 3.95Å; R1272-F1274 HydrophobicContact CB-CD2 4.12Å; R1272-F1274 HydrophobicContact CB-CE2 3.67Å; R1272-F1274 HydrophobicContact CG-CE2 4.48Å; F1274-F1317 HydrophobicContact CD1-CD1 4.41Å; F1274-F1317 HydrophobicContact CD2-CB 4.48Å; F1274-F1317 HydrophobicContact CD2-CD1 4.37Å; F1274-F1317 HydrophobicContact CE1-CD1 4.2Å; F1274-F1317 HydrophobicContact CE2-CB 3.92Å; F1274-F1317 HydrophobicContact CE2-CD1 4.1Å; F1274-F1317 HydrophobicContact CZ-CB 4.38Å; F1274-F1317 HydrophobicContact CZ-CD1 4.03Å; F1274-E1319 WeakPolarHBondContact CZ-O 3.19Å; F1274-L1321 VanDerWaalsContact CZ-C 3.44Å; F1274-G1322 VanDerWaalsContact CE1-N 3.31Å
1275P89.8Confident85.4Confident27 Ų2715.2 Ų15.218%0.1759%0.089CC..EExtended strand (participates in β ladder)trans-64.1145.4169.327.9-34000111T601 S602 V603 L1823T601-P1275 WeakPolarHBondContact O-CD 3.45Å; S602-P1275 CarbonylContact C-O 3.57Å; S602-P1275 VanDerWaalsContact CA-O 3.3Å; S602-P1275 WeakPolarHBondContact CA-O 3.49Å; S602-P1275 WeakPolarHBondContact CB-O 3.44Å; V603-P1275 PolarHBondContact N-O 2.96Å; P1275-L1823 HydrophobicContact CB-CD2 4.25Å; P1275-L1823 HydrophobicContact CG-CD1 3.59Å; P1275-L1823 HydrophobicContact CG-CD2 4.12Å
1276H86.4Confident85.5Confident10 Ų1015.3 Ų15.35%0.0469%0.09CC..BIsolated β-bridgetrans-83.1122168.5-166.3131.3000108P605 F1254 P1260 W1262 I1278 M1282P605-H1276 WeakPolarHBondContact CD-NE2 3.4Å; P605-H1276 WeakPolarHBondContact CG-CE1 3.48Å; P605-H1276 WeakPolarHBondContact CG-NE2 3.17Å; F1254-H1276 HydrophobicContact CE2-CB 4.3Å; F1254-H1276 AromaticContact CE2-ND1 3.66Å; F1254-H1276 AromaticContact CZ-ND1 3.8Å; P1260-H1276 HydrophobicContact CB-CB 3.99Å; P1260-H1276 HydrophobicContact CG-CB 4.06Å; P1260-H1276 WeakPolarHBondContact O-CB 3.33Å; P1260-H1276 PolarHBondContact O-N 3.36Å; W1262-H1276 AromaticContact CE2-ND1 3.9Å; W1262-H1276 AromaticContact NE1-CG 3.73Å; W1262-H1276 AromaticContact NE1-ND1 3.13Å; W1262-H1276 PolarHBondContact NE1-ND1 3.17Å; W1262-H1276 VanDerWaalsContact NE1-ND1 3.13Å; H1276-I1278 PolarHBondContact CD2-O 2.87Å; H1276-I1278 VanDerWaalsContact CD2-O 3.32Å; H1276-M1282 WeakPolarHBondContact CE1-CE 3.47Å; H1276-M1282 WeakPolarHBondContact NE2-CE 3.36Å
1277S70.6Confident85.7Confident30 Ų3016.6 Ų16.621%0.2110%0.098CC..  trans-102.4-8.8-169.153.80000116.4S602 V603 R604S602-S1277 WeakPolarHBondContact CB-OG 3.1Å; S602-S1277 WeakPolarHBondContact OG-CB 3.48Å; S602-S1277 PolarHBondContact OG-OG 2.87Å; V603-S1277 PolarHBondContact O-N 3.48Å; V603-S1277 PolarHBondContact O-OG 3.01Å; R604-S1277 WeakPolarHBondContact CG-OG 3.49Å
1278I69.8Low86.2Confident20 Ų2014.2 Ų14.210%0.1039%0.085CC..SBendtrans-106.1158.3-178-62.8-175.9000109.9L550 R604 H1276 G1280L550-I1278 HydrophobicContact CD1-CD1 4.03Å; R604-I1278 HydrophobicContact CB-CD1 3.73Å; R604-I1278 HydrophobicContact CB-CG1 4.49Å; R604-I1278 HydrophobicContact CG-CD1 4.08Å; R604-I1278 HydrophobicContact CG-CG1 4.45Å; H1276-I1278 PolarHBondContact CD2-O 2.87Å; H1276-I1278 VanDerWaalsContact CD2-O 3.32Å; I1278-G1280 PolarHBondContact O-N 3.14Å
1279D73.3Confident86.5Confident31 Ų3113.4 Ų13.417%0.1668%0.078CC..SBendtrans58.2-4.7174.6-62.3-18.1000119M1282 Y1299 T1301 R1307D1279-M1282 HydrophobicContact CB-CE 4.31Å; D1279-Y1299 HydrophobicContact CB-CE2 4.41Å; D1279-Y1299 PolarHBondContact OD2-OH 3.5Å; D1279-T1301 HydrophobicContact CB-CG2 4.19Å; D1279-R1307 IonicContact OD1-CZ 3.91Å; D1279-R1307 IonicContact OD1-NH1 2.68Å; D1279-R1307 PolarHBondContact OD1-NH1 3.03Å; D1279-R1307 VanDerWaalsContact OD2-CD 3.25Å; D1279-R1307 WeakPolarHBondContact OD2-CD 3.38Å; D1279-R1307 IonicContact OD2-CZ 2.62Å; D1279-R1307 IonicContact OD2-NE 2.79Å; D1279-R1307 IonicContact OD2-NH1 2.82Å; D1279-R1307 PolarHBondContact OD2-NH1 3Å
1280G78Confident86.6Confident4 Ų413.6 Ų13.64%0.0418%0.08CC..SBendtrans80-122.1169.300000113P1260 I1278 A1642P1260-G1280 VanDerWaalsContact CG-O 3.23Å; P1260-G1280 WeakPolarHBondContact CG-O 3.26Å; I1278-G1280 PolarHBondContact O-N 3.14Å; G1280-A1642 VanDerWaalsContact C-CB 3.41Å; G1280-A1642 VanDerWaalsContact O-CB 3.22Å; G1280-A1642 WeakPolarHBondContact O-CB 3.31Å
1281I83.6Confident86.3Confident1 Ų119.5 Ų19.51%0.00511%0.105CC..  trans-76.4129.9-176.4-54.8175.1000110.3V1230 L1234 F1302 L1643 V1646V1230-I1281 HydrophobicContact CG1-CD1 3.73Å; L1234-I1281 HydrophobicContact CD1-CG2 3.76Å; L1234-I1281 HydrophobicContact CD2-CG2 4.33Å; I1281-F1302 HydrophobicContact CB-CB 3.65Å; I1281-F1302 HydrophobicContact CB-CG 4.37Å; I1281-F1302 HydrophobicContact CD1-CB 4.25Å; I1281-F1302 HydrophobicContact CD1-CD1 4.32Å; I1281-F1302 HydrophobicContact CD1-CG 4.15Å; I1281-F1302 HydrophobicContact CG1-CB 4.5Å; I1281-F1302 HydrophobicContact CG2-CB 3.77Å; I1281-F1302 HydrophobicContact CG2-CD2 4.26Å; I1281-F1302 HydrophobicContact CG2-CG 4.22Å; I1281-F1302 PolarHBondContact O-N 2.75Å; I1281-L1643 HydrophobicContact CD1-CD2 3.65Å; I1281-L1643 HydrophobicContact CG1-CD2 4.02Å; I1281-V1646 HydrophobicContact CD1-CG2 3.59Å
1282M86.3Confident85.9Confident1 Ų121.9 Ų21.91%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-107.5122.5173.3-64-160.1167.600111.7F1254 G1257 P1260 H1276 D1279 Y1299 F1300F1254-M1282 HydrophobicContact CE1-CB 4.48Å; F1254-M1282 HydrophobicContact CE1-SD 4.04Å; F1254-M1282 HydrophobicContact CZ-SD 3.64Å; G1257-M1282 WeakPolarHBondContact CA-O 3.49Å; G1257-M1282 PolarHBondContact N-O 3.37Å; G1257-M1282 PolarHBondContact O-N 2.71Å; P1260-M1282 HydrophobicContact CB-CB 4.24Å; P1260-M1282 HydrophobicContact CB-CG 4.21Å; P1260-M1282 HydrophobicContact CG-CB 4.49Å; P1260-M1282 HydrophobicContact CG-CG 4.16Å; H1276-M1282 WeakPolarHBondContact CE1-CE 3.47Å; H1276-M1282 WeakPolarHBondContact NE2-CE 3.36Å; D1279-M1282 HydrophobicContact CB-CE 4.31Å; M1282-Y1299 HydrophobicContact CE-CD2 3.31Å; M1282-Y1299 HydrophobicContact CE-CE2 3.28Å; M1282-Y1299 HydrophobicContact CE-CG 4.02Å; M1282-Y1299 HydrophobicContact CG-CD2 4.41Å; M1282-Y1299 HydrophobicContact SD-CD2 3.72Å; M1282-Y1299 HydrophobicContact SD-CE2 4.32Å; M1282-Y1299 HydrophobicContact SD-CG 4.01Å; M1282-F1300 CarbonylContact C-O 3.55Å; M1282-F1300 WeakPolarHBondContact CA-O 3.49Å
1283G84.5Confident85.3Confident3 Ų320.9 Ų20.93%0.03111%0.114CC..EExtended strand (participates in β ladder)trans-84.2-33.2-178.200000114R1237 F1300R1237-G1283 VanDerWaalsContact NH1-CA 3.34Å; R1237-G1283 PolarHBondContact NH1-O 3.05Å; G1283-F1300 PolarHBondContact N-O 2.9Å
1284S89.6Confident84.8Confident5 Ų522.7 Ų22.74%0.03512%0.119CC..EExtended strand (participates in β ladder)trans-161.3165.9176.7-154.80000111.8S618 L619 Y1299 F1300S618-S1284 WeakPolarHBondContact CA-OG 3.34Å; L619-S1284 PolarHBondContact N-OG 3.25Å; S1284-Y1299 VanDerWaalsContact O-CA 3.27Å; S1284-Y1299 WeakPolarHBondContact O-CA 3.29Å; S1284-Y1299 WeakPolarHBondContact O-CB 3.48Å; S1284-F1300 PolarHBondContact O-N 3.16Å
1285F93.6Very high84.5Confident0 Ų023.3 Ų23.30%012%0.124CC..EExtended strand (participates in β ladder)trans-155147.2-174.1173.2-82.9000110.8R1242 F1244 I1247 F1254 W1262 F1297 V1298R1242-F1285 HydrophobicContact CB-CD1 3.77Å; R1242-F1285 HydrophobicContact CB-CE1 4.49Å; R1242-F1285 HydrophobicContact CG-CB 4.29Å; R1242-F1285 HydrophobicContact CG-CD1 4.31Å; R1242-F1285 WeakPolarHBondContact CG-O 3.36Å; R1242-F1285 PolarHBondContact NE-O 3.23Å; F1244-F1285 HydrophobicContact CB-CE1 4.46Å; F1244-F1285 HydrophobicContact CD1-CE1 4.25Å; F1244-F1285 HydrophobicContact CD1-CZ 4.39Å; I1247-F1285 HydrophobicContact CD1-CE1 4.23Å; I1247-F1285 HydrophobicContact CD1-CZ 3.67Å; F1254-F1285 HydrophobicContact CB-CD1 3.85Å; F1254-F1285 HydrophobicContact CB-CD2 4.32Å; F1254-F1285 HydrophobicContact CB-CE1 3.7Å; F1254-F1285 HydrophobicContact CB-CE2 4.16Å; F1254-F1285 HydrophobicContact CB-CG 4.17Å; F1254-F1285 HydrophobicContact CB-CZ 3.86Å; F1254-F1285 HydrophobicContact CD1-CB 3.56Å; F1254-F1285 AromaticContact CD1-CD1 3.94Å; F1254-F1285 HydrophobicContact CD1-CD1 3.94Å; F1254-F1285 AromaticContact CD1-CD2 3.44Å; F1254-F1285 HydrophobicContact CD1-CD2 3.44Å; F1254-F1285 VanDerWaalsContact CD1-CD2 3.44Å; F1254-F1285 HydrophobicContact CD1-CE1 4.47Å; F1254-F1285 HydrophobicContact CD1-CE2 4.01Å; F1254-F1285 AromaticContact CD1-CG 3.39Å; F1254-F1285 HydrophobicContact CD1-CG 3.39Å; F1254-F1285 HydrophobicContact CD1-CZ 4.5Å; F1254-F1285 HydrophobicContact CD2-CD2 4.45Å; F1254-F1285 HydrophobicContact CD2-CE2 4.28Å; F1254-F1285 HydrophobicContact CE1-CB 3.94Å; F1254-F1285 AromaticContact CE1-CD2 3.78Å; F1254-F1285 HydrophobicContact CE1-CD2 3.78Å; F1254-F1285 HydrophobicContact CE1-CG 4.02Å; F1254-F1285 HydrophobicContact CG-CD1 4.16Å; F1254-F1285 AromaticContact CG-CD2 3.8Å; F1254-F1285 HydrophobicContact CG-CD2 3.8Å; F1254-F1285 HydrophobicContact CG-CE1 4.24Å; F1254-F1285 AromaticContact CG-CE2 3.87Å; F1254-F1285 HydrophobicContact CG-CE2 3.87Å; F1254-F1285 AromaticContact CG-CG 3.94Å; F1254-F1285 HydrophobicContact CG-CG 3.94Å; F1254-F1285 HydrophobicContact CG-CZ 4.09Å; F1254-F1285 HydrophobicContact CZ-CD2 4.43Å; W1262-F1285 AromaticContact CH2-CE2 3.62Å; W1262-F1285 HydrophobicContact CH2-CE2 3.62Å; W1262-F1285 AromaticContact CH2-CZ 3.81Å; W1262-F1285 HydrophobicContact CH2-CZ 3.81Å; W1262-F1285 HydrophobicContact CZ2-CE2 4.12Å; W1262-F1285 HydrophobicContact CZ3-CE2 4.21Å; W1262-F1285 AromaticContact CZ3-CZ 3.97Å; W1262-F1285 HydrophobicContact CZ3-CZ 3.97Å; F1285-F1297 HydrophobicContact CD2-CD2 4.05Å; F1285-F1297 HydrophobicContact CE2-CB 3.74Å; F1285-F1297 AromaticContact CE2-CD2 3.46Å; F1285-F1297 HydrophobicContact CE2-CD2 3.46Å; F1285-F1297 VanDerWaalsContact CE2-CD2 3.46Å; F1285-F1297 HydrophobicContact CE2-CE2 4.19Å; F1285-F1297 AromaticContact CE2-CG 3.71Å; F1285-F1297 HydrophobicContact CE2-CG 3.71Å; F1285-F1297 HydrophobicContact CZ-CB 3.85Å; F1285-F1297 HydrophobicContact CZ-CD2 4.35Å; F1285-F1297 HydrophobicContact CZ-CG 4.15Å; F1285-V1298 WeakPolarHBondContact CA-O 3.32Å
1286A93.5Very high84.5Confident5 Ų522.1 Ų22.14%0.04112%0.116CC..EExtended strand (participates in β ladder)trans-149.8151.5162.500000111.6L619 F1297 V1298L619-A1286 HydrophobicContact CD1-CB 3.39Å; A1286-F1297 WeakPolarHBondContact O-CA 3.45Å; A1286-F1297 WeakPolarHBondContact O-CB 3.46Å; A1286-V1298 PolarHBondContact N-O 3.17Å; A1286-V1298 PolarHBondContact O-N 2.93Å
1287P93.7Very high84.8Confident27 Ų2721.6 Ų21.618%0.17511%0.114CC..EExtended strand (participates in β ladder)trans-61.8151.1168.828.3-35.5000111.2S621 F1244 I1247S621-P1287 VanDerWaalsContact CB-O 3.25Å; S621-P1287 WeakPolarHBondContact CB-O 3.38Å; S621-P1287 PolarHBondContact OG-O 3.27Å; F1244-P1287 HydrophobicContact CB-CB 4.3Å; I1247-P1287 HydrophobicContact CD1-CB 4.11Å; I1247-P1287 HydrophobicContact CG1-CB 4.28Å
1288L91.3Very high85.9Confident3 Ų320.2 Ų20.22%0.01610%0.104CC..EExtended strand (participates in β ladder)trans-147.7106.9177.5-17169.4000110.2H740 L743 V756 C1293 G1296 V1298 L1308H740-L1288 HydrophobicContact CB-CD1 3.99Å; L743-L1288 HydrophobicContact CD1-CD1 4.47Å; V756-L1288 HydrophobicContact CG1-CD1 4.45Å; L1288-C1293 HydrophobicContact CD2-CB 4.04Å; L1288-C1293 HydrophobicContact CG-CB 4.47Å; L1288-G1296 CarbonylContact C-O 3.42Å; L1288-G1296 PolarHBondContact N-O 2.94Å; L1288-G1296 CarbonylContact O-C 3.55Å; L1288-G1296 WeakPolarHBondContact O-CA 3.15Å; L1288-G1296 PolarHBondContact O-N 2.83Å; L1288-V1298 HydrophobicContact CB-CG1 4.23Å; L1288-V1298 HydrophobicContact CD2-CB 4.29Å; L1288-V1298 HydrophobicContact CD2-CG1 4.22Å; L1288-L1308 HydrophobicContact CD2-CD2 3.71Å; L1288-L1308 HydrophobicContact CD2-CG 3.98Å
1289N89.4Confident86.9Confident13 Ų1319.4 Ų19.47%0.0710%0.1CC..  trans-108.3104.8166.9-176.839.8000109L738 T739 H740 C1293 H1294 S1295L738-N1289 PolarHBondContact O-ND2 3.39Å; T739-N1289 WeakPolarHBondContact CA-O 3.44Å; H740-N1289 PolarHBondContact N-O 3.01Å; H740-N1289 PolarHBondContact ND1-N 3.21Å; H740-N1289 PolarHBondContact ND1-O 3.4Å; N1289-C1293 WeakPolarHBondContact CA-O 3.39Å; N1289-H1294 PolarHBondContact OD1-ND1 3.5Å; N1289-S1295 PolarHBondContact OD1-N 2.87Å
1290A85.9Confident87.6Confident5 Ų518 Ų184%0.0419%0.092CC..SBendtrans-144.7170178.600000110V756 I1292 C1293 H1294V756-A1290 HydrophobicContact CG1-CB 3.75Å; A1290-I1292 VanDerWaalsContact C-N 3.27Å; A1290-I1292 PolarHBondContact O-N 2.7Å; A1290-C1293 PolarHBondContact N-O 3.35Å; A1290-C1293 CarbonylContact O-C 3.56Å; A1290-C1293 PolarHBondContact O-N 2.72Å; A1290-C1293 VanDerWaalsContact O-O 3.05Å; A1290-H1294 PolarHBondContact O-N 2.75Å
1291K80.8Confident87.9Confident143 Ų14318 Ų1862%0.6229%0.091SC*.SBendtrans-62-33.5-178.2-68-177.2-176.1174.40113.7H758H758-K1291 PolarHBondContact NE2-NZ 2.98Å
1292I83.1Confident87.6Confident58 Ų5821.2 Ų21.230%0.29711%0.105SC..SBendtrans-71.1-36.4175.1-54.2169.7000111.1H758 I760 A1290H758-I1292 WeakPolarHBondContact O-CD1 3.36Å; I760-I1292 HydrophobicContact CD1-CD1 4.45Å; I760-I1292 HydrophobicContact CG1-CD1 3.93Å; A1290-I1292 VanDerWaalsContact C-N 3.27Å; A1290-I1292 PolarHBondContact O-N 2.7Å
1293C82Confident87.1Confident1 Ų124.7 Ų24.71%0.00713%0.129CC..SBendtrans-139.683.1-168.4178.30000109L608 L1288 N1289 A1290 L1308L608-C1293 HydrophobicContact CD1-CB 3.92Å; L1288-C1293 HydrophobicContact CD2-CB 4.04Å; L1288-C1293 HydrophobicContact CG-CB 4.47Å; N1289-C1293 WeakPolarHBondContact CA-O 3.39Å; A1290-C1293 PolarHBondContact N-O 3.35Å; A1290-C1293 CarbonylContact O-C 3.56Å; A1290-C1293 PolarHBondContact O-N 2.72Å; A1290-C1293 VanDerWaalsContact O-O 3.05Å; C1293-L1308 HydrophobicContact CB-CD2 4.31Å
1294H82.9Confident86.7Confident87 Ų8726.8 Ų26.840%0.40314%0.14SC..THydrogen-bonded Turntrans-80.6129.4-176.5-177.142.5000110.6N1289 A1290 G1296 R1399N1289-H1294 PolarHBondContact OD1-ND1 3.5Å; A1290-H1294 PolarHBondContact O-N 2.75Å; H1294-G1296 PolarHBondContact O-N 2.68Å; H1294-G1296 VanDerWaalsContact O-N 3.15Å; H1294-R1399 PolarHBondContact CD2-NH2 3.17Å; H1294-R1399 VanDerWaalsContact CD2-NH2 3.26Å; H1294-R1399 PolarHBondContact NE2-NH2 3.06Å
1295S86.5Confident86.4Confident16 Ų1628.3 Ų28.311%0.11215%0.146CC..THydrogen-bonded Turntrans45.542.2-177-54.20000113.8N1246 I1247 G1248 N1289N1246-S1295 WeakPolarHBondContact O-CB 3.42Å; I1247-S1295 CarbonylContact C-O 3.59Å; I1247-S1295 WeakPolarHBondContact CA-O 3.3Å; G1248-S1295 PolarHBondContact N-O 3.33Å; N1289-S1295 PolarHBondContact OD1-N 2.87Å
1296G90.2Very high86.2Confident1 Ų128.3 Ų28.31%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-117.2-152.7-175.800000113.3L1288 H1294 A1309L1288-G1296 CarbonylContact C-O 3.42Å; L1288-G1296 PolarHBondContact N-O 2.94Å; L1288-G1296 CarbonylContact O-C 3.55Å; L1288-G1296 WeakPolarHBondContact O-CA 3.15Å; L1288-G1296 PolarHBondContact O-N 2.83Å; H1294-G1296 PolarHBondContact O-N 2.68Å; H1294-G1296 VanDerWaalsContact O-N 3.15Å; G1296-A1309 WeakPolarHBondContact CA-O 3.36Å
1297F93.3Very high85.8Confident0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-158.4164.4-175.654.6-82.4000112.2P605 I1247 W1262 F1285 A1286 Y1299 A1309 L1311P605-F1297 HydrophobicContact CB-CE2 4.34Å; P605-F1297 HydrophobicContact CB-CZ 3.82Å; P605-F1297 HydrophobicContact CG-CE2 4.26Å; P605-F1297 HydrophobicContact CG-CZ 3.95Å; I1247-F1297 HydrophobicContact CD1-CB 4.07Å; I1247-F1297 HydrophobicContact CD1-CD1 4.42Å; I1247-F1297 HydrophobicContact CG2-CD1 3.68Å; I1247-F1297 HydrophobicContact CG2-CE1 4.17Å; W1262-F1297 AromaticContact CH2-CD1 3.82Å; W1262-F1297 HydrophobicContact CH2-CD1 3.82Å; W1262-F1297 HydrophobicContact CH2-CD2 4.2Å; W1262-F1297 AromaticContact CH2-CE1 3.59Å; W1262-F1297 HydrophobicContact CH2-CE1 3.59Å; W1262-F1297 AromaticContact CH2-CE2 3.99Å; W1262-F1297 HydrophobicContact CH2-CE2 3.99Å; W1262-F1297 HydrophobicContact CH2-CG 4.12Å; W1262-F1297 AromaticContact CH2-CZ 3.67Å; W1262-F1297 HydrophobicContact CH2-CZ 3.67Å; W1262-F1297 HydrophobicContact CZ2-CD2 4.42Å; W1262-F1297 AromaticContact CZ2-CE1 3.94Å; W1262-F1297 HydrophobicContact CZ2-CE1 3.94Å; W1262-F1297 AromaticContact CZ2-CE2 3.81Å; W1262-F1297 HydrophobicContact CZ2-CE2 3.81Å; W1262-F1297 AromaticContact CZ2-CZ 3.54Å; W1262-F1297 HydrophobicContact CZ2-CZ 3.54Å; F1285-F1297 HydrophobicContact CD2-CD2 4.05Å; F1285-F1297 HydrophobicContact CE2-CB 3.74Å; F1285-F1297 AromaticContact CE2-CD2 3.46Å; F1285-F1297 HydrophobicContact CE2-CD2 3.46Å; F1285-F1297 VanDerWaalsContact CE2-CD2 3.46Å; F1285-F1297 HydrophobicContact CE2-CE2 4.19Å; F1285-F1297 AromaticContact CE2-CG 3.71Å; F1285-F1297 HydrophobicContact CE2-CG 3.71Å; F1285-F1297 HydrophobicContact CZ-CB 3.85Å; F1285-F1297 HydrophobicContact CZ-CD2 4.35Å; F1285-F1297 HydrophobicContact CZ-CG 4.15Å; A1286-F1297 WeakPolarHBondContact O-CA 3.45Å; A1286-F1297 WeakPolarHBondContact O-CB 3.46Å; F1297-Y1299 AromaticContact CD2-CD1 3.72Å; F1297-Y1299 HydrophobicContact CD2-CD1 3.72Å; F1297-Y1299 HydrophobicContact CD2-CE1 4.15Å; F1297-Y1299 AromaticContact CE2-CD1 3.74Å; F1297-Y1299 HydrophobicContact CE2-CD1 3.74Å; F1297-Y1299 AromaticContact CE2-CE1 3.77Å; F1297-Y1299 HydrophobicContact CE2-CE1 3.77Å; F1297-A1309 HydrophobicContact CE1-CB 4.49Å; F1297-A1309 HydrophobicContact CE2-CB 3.97Å; F1297-A1309 HydrophobicContact CZ-CB 3.96Å; F1297-A1309 PolarHBondContact N-O 3.05Å; F1297-A1309 PolarHBondContact O-N 3.03Å; F1297-L1311 HydrophobicContact CE1-CD2 4.08Å; F1297-L1311 HydrophobicContact CE1-CG 4.27Å
1298V92.7Very high85.6Confident0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-131.2140.7174.353.40000109.9L619 L743 F1285 A1286 L1288 M1306 R1307 L1308L619-V1298 HydrophobicContact CD1-CG1 3.73Å; L619-V1298 HydrophobicContact CD2-CG2 4.45Å; L743-V1298 HydrophobicContact CD1-CG1 3.79Å; L743-V1298 HydrophobicContact CD2-CG1 4.32Å; L743-V1298 HydrophobicContact CD2-CG2 4.43Å; F1285-V1298 WeakPolarHBondContact CA-O 3.32Å; A1286-V1298 PolarHBondContact N-O 3.17Å; A1286-V1298 PolarHBondContact O-N 2.93Å; L1288-V1298 HydrophobicContact CB-CG1 4.23Å; L1288-V1298 HydrophobicContact CD2-CB 4.29Å; L1288-V1298 HydrophobicContact CD2-CG1 4.22Å; V1298-M1306 HydrophobicContact CG2-CG 3.48Å; V1298-M1306 VanDerWaalsContact CG2-CG 3.48Å; V1298-M1306 HydrophobicContact CG2-SD 3.95Å; V1298-R1307 WeakPolarHBondContact CA-O 3.25Å; V1298-L1308 HydrophobicContact CB-CD1 4.42Å; V1298-L1308 HydrophobicContact CB-CG 4.28Å; V1298-L1308 HydrophobicContact CG2-CD1 3.93Å; V1298-L1308 HydrophobicContact CG2-CG 4.33Å
1299Y91.4Very high85.5Confident4 Ų427.9 Ų27.92%0.01614%0.14CC..EExtended strand (participates in β ladder)trans-142.6157.6-176.457.8-81.4000111.7D1279 M1282 S1284 F1297 T1301 M1306 R1307 A1309D1279-Y1299 HydrophobicContact CB-CE2 4.41Å; D1279-Y1299 PolarHBondContact OD2-OH 3.5Å; M1282-Y1299 HydrophobicContact CE-CD2 3.31Å; M1282-Y1299 HydrophobicContact CE-CE2 3.28Å; M1282-Y1299 HydrophobicContact CE-CG 4.02Å; M1282-Y1299 HydrophobicContact CG-CD2 4.41Å; M1282-Y1299 HydrophobicContact SD-CD2 3.72Å; M1282-Y1299 HydrophobicContact SD-CE2 4.32Å; M1282-Y1299 HydrophobicContact SD-CG 4.01Å; S1284-Y1299 VanDerWaalsContact O-CA 3.27Å; S1284-Y1299 WeakPolarHBondContact O-CA 3.29Å; S1284-Y1299 WeakPolarHBondContact O-CB 3.48Å; F1297-Y1299 AromaticContact CD2-CD1 3.72Å; F1297-Y1299 HydrophobicContact CD2-CD1 3.72Å; F1297-Y1299 HydrophobicContact CD2-CE1 4.15Å; F1297-Y1299 AromaticContact CE2-CD1 3.74Å; F1297-Y1299 HydrophobicContact CE2-CD1 3.74Å; F1297-Y1299 AromaticContact CE2-CE1 3.77Å; F1297-Y1299 HydrophobicContact CE2-CE1 3.77Å; Y1299-T1301 HydrophobicContact CE2-CG2 4.37Å; Y1299-M1306 WeakPolarHBondContact O-CA 2.97Å; Y1299-R1307 HydrophobicContact CD1-CB 4.46Å; Y1299-R1307 WeakPolarHBondContact CD1-O 3.47Å; Y1299-R1307 HydrophobicContact CD2-CB 4.29Å; Y1299-R1307 HydrophobicContact CE1-CB 3.9Å; Y1299-R1307 HydrophobicContact CE2-CB 3.72Å; Y1299-R1307 HydrophobicContact CE2-CG 4.32Å; Y1299-R1307 VanDerWaalsContact CZ-CB 3.5Å; Y1299-R1307 PolarHBondContact N-O 3.03Å; Y1299-R1307 VanDerWaalsContact N-O 3.09Å; Y1299-R1307 PolarHBondContact O-N 2.81Å; Y1299-A1309 HydrophobicContact CE1-CB 3.84Å
1300F88.4Confident85.4Confident2 Ų228.5 Ų28.51%0.00914%0.144CC..EExtended strand (participates in β ladder)trans-102128.7168.8-88-60000110.8L613 Y616 L619 L745 M1282 G1283 S1284 E1305 M1306L613-F1300 HydrophobicContact CB-CE1 4.18Å; Y616-F1300 HydrophobicContact CD2-CZ 4.18Å; Y616-F1300 HydrophobicContact CG-CE2 4.4Å; Y616-F1300 AromaticContact CG-CZ 3.95Å; Y616-F1300 HydrophobicContact CG-CZ 3.95Å; L619-F1300 HydrophobicContact CB-CD2 4.23Å; L619-F1300 HydrophobicContact CB-CE2 4.08Å; L619-F1300 HydrophobicContact CD2-CD2 3.62Å; L619-F1300 HydrophobicContact CD2-CE2 4.09Å; L619-F1300 HydrophobicContact CD2-CG 4.28Å; L619-F1300 HydrophobicContact CG-CD2 4.47Å; L745-F1300 HydrophobicContact CD2-CE2 3.77Å; L745-F1300 HydrophobicContact CD2-CZ 4.01Å; M1282-F1300 CarbonylContact C-O 3.55Å; M1282-F1300 WeakPolarHBondContact CA-O 3.49Å; G1283-F1300 PolarHBondContact N-O 2.9Å; S1284-F1300 PolarHBondContact O-N 3.16Å; F1300-E1305 WeakPolarHBondContact CA-O 3.37Å; F1300-M1306 HydrophobicContact CD1-CB 4.09Å; F1300-M1306 HydrophobicContact CE1-CB 3.63Å; F1300-M1306 HydrophobicContact CE1-CG 4.42Å; F1300-M1306 HydrophobicContact CZ-CB 4.17Å
1301T82.7Confident85.5Confident3 Ų328.9 Ų28.92%0.01815%0.146CC..EExtended strand (participates in β ladder)trans-73.4164.5163.8680000110.7D1279 Y1299 S1303 N1304 E1305 R1307D1279-T1301 HydrophobicContact CB-CG2 4.19Å; Y1299-T1301 HydrophobicContact CE2-CG2 4.37Å; T1301-S1303 WeakPolarHBondContact CB-OG 3.49Å; T1301-S1303 PolarHBondContact O-N 3.19Å; T1301-S1303 PolarHBondContact OG1-N 2.86Å; T1301-S1303 PolarHBondContact OG1-OG 3.3Å; T1301-N1304 PolarHBondContact O-N 2.97Å; T1301-N1304 VanDerWaalsContact O-N 3.09Å; T1301-N1304 PolarHBondContact OG1-N 2.76Å; T1301-E1305 HydrophobicContact CG2-CB 4.22Å; T1301-E1305 PolarHBondContact N-O 3.1Å; T1301-E1305 WeakPolarHBondContact OG1-CB 2.97Å; T1301-E1305 PolarHBondContact OG1-N 2.93Å; T1301-R1307 HydrophobicContact CG2-CG 4.49Å
1302F77.3Confident85.4Confident69 Ų6922.7 Ų22.730%0.30312%0.12SC..THydrogen-bonded Turntrans-71.6-8169-171.1-98.1000114.1V1230 I1281V1230-F1302 HydrophobicContact CB-CZ 4.29Å; V1230-F1302 HydrophobicContact CG1-CD2 4.32Å; V1230-F1302 HydrophobicContact CG1-CE1 4.19Å; V1230-F1302 HydrophobicContact CG1-CE2 3.88Å; V1230-F1302 HydrophobicContact CG1-CZ 3.83Å; V1230-F1302 HydrophobicContact CG2-CE1 3.75Å; V1230-F1302 HydrophobicContact CG2-CE2 4.34Å; V1230-F1302 HydrophobicContact CG2-CZ 3.52Å; I1281-F1302 HydrophobicContact CB-CB 3.65Å; I1281-F1302 HydrophobicContact CB-CG 4.37Å; I1281-F1302 HydrophobicContact CD1-CB 4.25Å; I1281-F1302 HydrophobicContact CD1-CD1 4.32Å; I1281-F1302 HydrophobicContact CD1-CG 4.15Å; I1281-F1302 HydrophobicContact CG1-CB 4.5Å; I1281-F1302 HydrophobicContact CG2-CB 3.77Å; I1281-F1302 HydrophobicContact CG2-CD2 4.26Å; I1281-F1302 HydrophobicContact CG2-CG 4.22Å; I1281-F1302 PolarHBondContact O-N 2.75Å
1303S75.5Confident85.1Confident73 Ų7321.1 Ų21.151%0.5111%0.114SC..THydrogen-bonded Turntrans-81.31.4165.839.50000113.4T1301 E1305T1301-S1303 WeakPolarHBondContact CB-OG 3.49Å; T1301-S1303 PolarHBondContact O-N 3.19Å; T1301-S1303 PolarHBondContact OG1-N 2.86Å; T1301-S1303 PolarHBondContact OG1-OG 3.3Å; S1303-E1305 VanDerWaalsContact C-N 3.35Å; S1303-E1305 VanDerWaalsContact CB-OE1 3.28Å; S1303-E1305 WeakPolarHBondContact CB-OE1 3.38Å; S1303-E1305 PolarHBondContact OG-OE1 2.75Å
1304N77.4Confident84.9Confident47 Ų4722.9 Ų22.925%0.25113%0.132SC..  trans61.737.7-173.5-53.3-34.9000113.4L613 E615 T1301L613-N1304 CarbonylContact C-O 3.52Å; L613-N1304 VanDerWaalsContact C-O 3.31Å; L613-N1304 PolarHBondContact N-O 3.33Å; L613-N1304 WeakPolarHBondContact O-CB 3.5Å; E615-N1304 PolarHBondContact N-ND2 3.21Å; T1301-N1304 PolarHBondContact O-N 2.97Å; T1301-N1304 VanDerWaalsContact O-N 3.09Å; T1301-N1304 PolarHBondContact OG1-N 2.76Å
1305E83Confident85.1Confident37 Ų3719.7 Ų19.717%0.17312%0.117CC..EExtended strand (participates in β ladder)trans-94.7125.7167.2-60.4159.2-127.100108.8F611 F1300 T1301 S1303 R1307F611-E1305 CarbonylContact O-C 3.55Å; F611-E1305 WeakPolarHBondContact O-CA 2.93Å; F1300-E1305 WeakPolarHBondContact CA-O 3.37Å; T1301-E1305 HydrophobicContact CG2-CB 4.22Å; T1301-E1305 PolarHBondContact N-O 3.1Å; T1301-E1305 WeakPolarHBondContact OG1-CB 2.97Å; T1301-E1305 PolarHBondContact OG1-N 2.93Å; S1303-E1305 VanDerWaalsContact C-N 3.35Å; S1303-E1305 VanDerWaalsContact CB-OE1 3.28Å; S1303-E1305 WeakPolarHBondContact CB-OE1 3.38Å; S1303-E1305 PolarHBondContact OG-OE1 2.75Å; E1305-R1307 HydrophobicContact CB-CG 4.34Å; E1305-R1307 IonicContact OE2-CZ 3.63Å; E1305-R1307 IonicContact OE2-NE 3.61Å; E1305-R1307 PolarHBondContact OE2-NE 2.9Å; E1305-R1307 IonicContact OE2-NH2 2.65Å; E1305-R1307 PolarHBondContact OE2-NH2 3.19Å
1306M88.3Confident85.2Confident1 Ų120.8 Ų20.81%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-83.3120.4167.7-175.5179.77100108.4A610 F611 L613 L743 L745 L754 V1298 Y1299 F1300 L1308A610-M1306 CarbonylContact C-O 3.56Å; A610-M1306 WeakPolarHBondContact CA-O 3.48Å; F611-M1306 HydrophobicContact CB-CB 4.4Å; F611-M1306 HydrophobicContact CB-CE 4.19Å; F611-M1306 HydrophobicContact CD2-CE 3.51Å; F611-M1306 HydrophobicContact CE2-CE 4.05Å; F611-M1306 HydrophobicContact CG-CE 3.96Å; F611-M1306 PolarHBondContact N-O 3.09Å; F611-M1306 PolarHBondContact O-N 3.02Å; L613-M1306 HydrophobicContact CD1-CB 4.05Å; L613-M1306 HydrophobicContact CD1-CE 3.91Å; L613-M1306 HydrophobicContact CD1-SD 4.11Å; L743-M1306 HydrophobicContact CD2-SD 3.67Å; L745-M1306 HydrophobicContact CD1-SD 4.07Å; L745-M1306 HydrophobicContact CD2-SD 4.18Å; L754-M1306 HydrophobicContact CD1-CE 4.06Å; L754-M1306 HydrophobicContact CD1-SD 4.48Å; V1298-M1306 HydrophobicContact CG2-CG 3.48Å; V1298-M1306 VanDerWaalsContact CG2-CG 3.48Å; V1298-M1306 HydrophobicContact CG2-SD 3.95Å; Y1299-M1306 WeakPolarHBondContact O-CA 2.97Å; F1300-M1306 HydrophobicContact CD1-CB 4.09Å; F1300-M1306 HydrophobicContact CE1-CB 3.63Å; F1300-M1306 HydrophobicContact CE1-CG 4.42Å; F1300-M1306 HydrophobicContact CZ-CB 4.17Å; M1306-L1308 HydrophobicContact CE-CD1 4.23Å
1307R86.7Confident85.2Confident24 Ų2420.8 Ų20.89%0.09112%0.124CC..EExtended strand (participates in β ladder)trans-121129.1-178.1-67-177.1172.3-149.21.8110.8A610 D1279 V1298 Y1299 T1301 E1305A610-R1307 HydrophobicContact CB-CG 4Å; D1279-R1307 IonicContact OD1-CZ 3.91Å; D1279-R1307 IonicContact OD1-NH1 2.68Å; D1279-R1307 PolarHBondContact OD1-NH1 3.03Å; D1279-R1307 VanDerWaalsContact OD2-CD 3.25Å; D1279-R1307 WeakPolarHBondContact OD2-CD 3.38Å; D1279-R1307 IonicContact OD2-CZ 2.62Å; D1279-R1307 IonicContact OD2-NE 2.79Å; D1279-R1307 IonicContact OD2-NH1 2.82Å; D1279-R1307 PolarHBondContact OD2-NH1 3Å; V1298-R1307 WeakPolarHBondContact CA-O 3.25Å; Y1299-R1307 HydrophobicContact CD1-CB 4.46Å; Y1299-R1307 WeakPolarHBondContact CD1-O 3.47Å; Y1299-R1307 HydrophobicContact CD2-CB 4.29Å; Y1299-R1307 HydrophobicContact CE1-CB 3.9Å; Y1299-R1307 HydrophobicContact CE2-CB 3.72Å; Y1299-R1307 HydrophobicContact CE2-CG 4.32Å; Y1299-R1307 VanDerWaalsContact CZ-CB 3.5Å; Y1299-R1307 PolarHBondContact N-O 3.03Å; Y1299-R1307 VanDerWaalsContact N-O 3.09Å; Y1299-R1307 PolarHBondContact O-N 2.81Å; T1301-R1307 HydrophobicContact CG2-CG 4.49Å; E1305-R1307 HydrophobicContact CB-CG 4.34Å; E1305-R1307 IonicContact OE2-CZ 3.63Å; E1305-R1307 IonicContact OE2-NE 3.61Å; E1305-R1307 PolarHBondContact OE2-NE 2.9Å; E1305-R1307 IonicContact OE2-NH2 2.65Å; E1305-R1307 PolarHBondContact OE2-NH2 3.19Å
1308L89.7Confident85Confident2 Ų223.1 Ų23.11%0.0114%0.136CC..EExtended strand (participates in β ladder)trans-94.6133.4171.8-78.370.7000109L608 T609 F611 I760 L1288 C1293 V1298 M1306L608-L1308 PolarHBondContact N-O 2.84Å; T609-L1308 PolarHBondContact O-N 3.04Å; F611-L1308 HydrophobicContact CD2-CD1 4.25Å; F611-L1308 HydrophobicContact CE2-CD1 3.97Å; I760-L1308 HydrophobicContact CD1-CD1 4.36Å; I760-L1308 HydrophobicContact CD1-CD2 3.75Å; L1288-L1308 HydrophobicContact CD2-CD2 3.71Å; L1288-L1308 HydrophobicContact CD2-CG 3.98Å; C1293-L1308 HydrophobicContact CB-CD2 4.31Å; V1298-L1308 HydrophobicContact CB-CD1 4.42Å; V1298-L1308 HydrophobicContact CB-CG 4.28Å; V1298-L1308 HydrophobicContact CG2-CD1 3.93Å; V1298-L1308 HydrophobicContact CG2-CG 4.33Å; M1306-L1308 HydrophobicContact CE-CD1 4.23Å
1309A87.7Confident84.8Confident0 Ų024.9 Ų24.90%015%0.145CC..EExtended strand (participates in β ladder)trans-149.4163.9-179.400000113.7P605 R606 G1296 F1297 Y1299P605-A1309 HydrophobicContact CB-CB 3.66Å; R606-A1309 WeakPolarHBondContact O-CA 3.45Å; R606-A1309 VanDerWaalsContact O-CB 3.28Å; R606-A1309 WeakPolarHBondContact O-CB 3.24Å; G1296-A1309 WeakPolarHBondContact CA-O 3.36Å; F1297-A1309 HydrophobicContact CE1-CB 4.49Å; F1297-A1309 HydrophobicContact CE2-CB 3.97Å; F1297-A1309 HydrophobicContact CZ-CB 3.96Å; F1297-A1309 PolarHBondContact N-O 3.05Å; F1297-A1309 PolarHBondContact O-N 3.03Å; Y1299-A1309 HydrophobicContact CE1-CB 3.84Å
1310T88.2Confident84.7Confident25 Ų2528.7 Ų28.715%0.15316%0.162CC..EExtended strand (participates in β ladder)trans-122.7160.4171.742.40000110.1R606 L608R606-T1310 PolarHBondContact N-O 3.21Å; R606-T1310 PolarHBondContact O-N 2.91Å; L608-T1310 HydrophobicContact CD1-CG2 4.1Å
1311L86.7Confident84.8Confident13 Ų1328.8 Ų28.87%0.06816%0.163CC..PPolyproline II helixtrans-69.7147.7166.5-65.9178.6000109.7V603 I1247 W1262 F1264 F1297 F1317V603-L1311 HydrophobicContact CG1-CD2 3.56Å; I1247-L1311 HydrophobicContact CG2-CD1 3.9Å; I1247-L1311 HydrophobicContact CG2-CG 3.9Å; I1247-L1311 WeakPolarHBondContact O-CD1 3.48Å; W1262-L1311 HydrophobicContact CH2-CD2 4.19Å; W1262-L1311 HydrophobicContact CZ2-CD2 4.25Å; F1264-L1311 HydrophobicContact CE1-CD1 4.21Å; F1264-L1311 HydrophobicContact CZ-CD1 4.28Å; F1297-L1311 HydrophobicContact CE1-CD2 4.08Å; F1297-L1311 HydrophobicContact CE1-CG 4.27Å; L1311-F1317 HydrophobicContact CD1-CD2 4.45Å; L1311-F1317 HydrophobicContact CD1-CE2 4.28Å; L1311-F1317 HydrophobicContact CD2-CE2 4.49Å
1312P79.3Confident85.2Confident13 Ų1328.6 Ų28.68%0.08416%0.162CC..PPolyproline II helixtrans-60.3129.3179.5-27.137000112.1L550 R604 G1314 Y1315L550-P1312 HydrophobicContact CD2-CG 4.33Å; R604-P1312 WeakPolarHBondContact O-CD 3.4Å; R604-P1312 WeakPolarHBondContact O-CG 3.33Å; P1312-G1314 PolarHBondContact O-N 2.87Å; P1312-Y1315 HydrophobicContact CB-CD2 3.61Å; P1312-Y1315 HydrophobicContact CB-CE2 3.92Å; P1312-Y1315 HydrophobicContact CB-CG 4.48Å; P1312-Y1315 PolarHBondContact O-N 2.8Å
1313P76.2Confident85.8Confident25 Ų2526.1 Ų26.116%0.16215%0.152CC..THydrogen-bonded Turntrans-62.9134.2-173.524.4-34.5000111.9K1324 A1396 H1398P1313-K1324 WeakPolarHBondContact O-CE 3.5Å; P1313-K1324 PolarHBondContact O-NZ 3.41Å; P1313-A1396 WeakPolarHBondContact CB-O 3.23Å; P1313-A1396 WeakPolarHBondContact CG-O 3.03Å; P1313-H1398 WeakPolarHBondContact CA-NE2 3.42Å; P1313-H1398 VanDerWaalsContact CB-CD2 3.42Å; P1313-H1398 WeakPolarHBondContact CB-CD2 3.19Å
1314G78.9Confident86.4Confident38 Ų3824 Ų2439%0.39213%0.133SC..THydrogen-bonded Turntrans80.611.5178.600000116.2P1312 K1324 H1398P1312-G1314 PolarHBondContact O-N 2.87Å; G1314-K1324 WeakPolarHBondContact O-CB 3.33Å; G1314-K1324 VanDerWaalsContact O-CG 3.3Å; G1314-K1324 WeakPolarHBondContact O-CG 3.34Å; G1314-H1398 PolarHBondContact N-NE2 3.31Å
1315Y86.3Confident86.9Confident20 Ų2024.9 Ų24.98%0.07813%0.133CC..  trans-94.7130.8169.1-77.8-97.8000111L598 H600 H1250 P1312 I1323 K1324L598-Y1315 HydrophobicContact CB-CE1 4.29Å; H600-Y1315 AromaticContact CE1-CE1 3.62Å; H600-Y1315 AromaticContact CE1-CZ 3.58Å; H600-Y1315 PolarHBondContact CE1-OH 3.05Å; H600-Y1315 VanDerWaalsContact CE1-OH 3.24Å; H600-Y1315 AromaticContact ND1-CD1 3.95Å; H600-Y1315 AromaticContact ND1-CE1 3.27Å; H600-Y1315 VanDerWaalsContact ND1-CE1 3.27Å; H600-Y1315 WeakPolarHBondContact ND1-CE1 3.27Å; H600-Y1315 AromaticContact ND1-CZ 3.71Å; H1250-Y1315 PolarHBondContact NE2-O 2.71Å; P1312-Y1315 HydrophobicContact CB-CD2 3.61Å; P1312-Y1315 HydrophobicContact CB-CE2 3.92Å; P1312-Y1315 HydrophobicContact CB-CG 4.48Å; P1312-Y1315 PolarHBondContact O-N 2.8Å; Y1315-I1323 WeakPolarHBondContact CA-O 3.38Å; Y1315-K1324 HydrophobicContact CD1-CB 3.65Å; Y1315-K1324 HydrophobicContact CD2-CB 3.8Å; Y1315-K1324 HydrophobicContact CD2-CD 3.65Å; Y1315-K1324 HydrophobicContact CD2-CG 4.36Å; Y1315-K1324 HydrophobicContact CE1-CB 3.63Å; Y1315-K1324 HydrophobicContact CE2-CB 3.81Å; Y1315-K1324 HydrophobicContact CE2-CD 3.44Å; Y1315-K1324 VanDerWaalsContact CE2-CD 3.44Å; Y1315-K1324 HydrophobicContact CE2-CG 4.28Å; Y1315-K1324 HydrophobicContact CG-CB 3.74Å; Y1315-K1324 HydrophobicContact CG-CD 4.42Å
1316S89Confident87.1Confident39 Ų3923.3 Ų23.327%0.27313%0.126SC..BIsolated β-bridgetrans-102.8134.9167.2-175.90000110.8H1250 N1318 G1322 I1323H1250-S1316 WeakPolarHBondContact NE2-CA 3.22Å; S1316-N1318 PolarHBondContact OG-N 2.89Å; S1316-G1322 WeakPolarHBondContact O-CA 3.45Å; S1316-I1323 PolarHBondContact N-O 2.81Å; S1316-I1323 PolarHBondContact O-N 2.92Å
1317F91.3Very high86.8Confident2 Ų227.7 Ų27.71%0.00915%0.153CC..  trans-107.219.7177-59.7-82.9000112.5V603 F1264 F1274 L1311 E1319V603-F1317 HydrophobicContact CG2-CD1 4.16Å; V603-F1317 HydrophobicContact CG2-CE1 3.86Å; V603-F1317 HydrophobicContact CG2-CZ 4.27Å; F1264-F1317 HydrophobicContact CD2-CB 3.38Å; F1264-F1317 HydrophobicContact CD2-CG 4.01Å; F1264-F1317 HydrophobicContact CE2-CB 3.47Å; F1264-F1317 VanDerWaalsContact CE2-CB 3.47Å; F1264-F1317 AromaticContact CE2-CD1 3.94Å; F1264-F1317 HydrophobicContact CE2-CD1 3.94Å; F1264-F1317 HydrophobicContact CE2-CD2 4.03Å; F1264-F1317 AromaticContact CE2-CG 3.54Å; F1264-F1317 HydrophobicContact CE2-CG 3.54Å; F1264-F1317 HydrophobicContact CG-CB 4.01Å; F1264-F1317 HydrophobicContact CZ-CB 4.17Å; F1264-F1317 HydrophobicContact CZ-CD2 4.02Å; F1264-F1317 HydrophobicContact CZ-CG 4.02Å; F1274-F1317 HydrophobicContact CD1-CD1 4.41Å; F1274-F1317 HydrophobicContact CD2-CB 4.48Å; F1274-F1317 HydrophobicContact CD2-CD1 4.37Å; F1274-F1317 HydrophobicContact CE1-CD1 4.2Å; F1274-F1317 HydrophobicContact CE2-CB 3.92Å; F1274-F1317 HydrophobicContact CE2-CD1 4.1Å; F1274-F1317 HydrophobicContact CZ-CB 4.38Å; F1274-F1317 HydrophobicContact CZ-CD1 4.03Å; L1311-F1317 HydrophobicContact CD1-CD2 4.45Å; L1311-F1317 HydrophobicContact CD1-CE2 4.28Å; L1311-F1317 HydrophobicContact CD2-CE2 4.49Å; F1317-E1319 VanDerWaalsContact C-N 3.26Å; F1317-E1319 PolarHBondContact O-N 2.79Å
1318N89Confident86.7Confident48 Ų4827.6 Ų27.626%0.25715%0.154SC..SBendtrans-71.8-18.9175.1-77.1-24000113.1T1266 R1272 S1316T1266-N1318 HydrophobicContact CG2-CB 4.28Å; T1266-N1318 WeakPolarHBondContact CG2-O 3.48Å; R1272-N1318 PolarHBondContact NE-O 3.15Å; R1272-N1318 PolarHBondContact NH2-O 2.94Å; S1316-N1318 PolarHBondContact OG-N 2.89Å
1319E88.5Confident86.2Confident37 Ų3733.7 Ų33.717%0.17319%0.187CC..SBendtrans-99178.6177.5-76.3-61.2174.100113.8I534 R1272 F1274 F1317 L1321 I1323I534-E1319 HydrophobicContact CD1-CG 4.33Å; R1272-E1319 VanDerWaalsContact CD-O 3.27Å; R1272-E1319 WeakPolarHBondContact CD-O 3.06Å; R1272-E1319 IonicContact CZ-OE2 2.69Å; R1272-E1319 PolarHBondContact NE-O 3.18Å; R1272-E1319 IonicContact NH2-OE2 2.8Å; R1272-E1319 PolarHBondContact NH2-OE2 3.38Å; F1274-E1319 WeakPolarHBondContact CZ-O 3.19Å; F1317-E1319 VanDerWaalsContact C-N 3.26Å; F1317-E1319 PolarHBondContact O-N 2.79Å; E1319-L1321 PolarHBondContact O-N 2.79Å; E1319-I1323 HydrophobicContact CB-CD1 3.85Å; E1319-I1323 HydrophobicContact CB-CG1 4.5Å; E1319-I1323 HydrophobicContact CG-CD1 4.11Å
1320H88.2Confident86Confident84 Ų8434.7 Ų34.739%0.38919%0.193SC..SBendtrans-65.2-11.1175.8-63.782000113.3R1272R1272-H1320 VanDerWaalsContact CZ-CE1 3.48Å; R1272-H1320 PolarHBondContact NH1-CE1 3.28Å; R1272-H1320 PolarHBondContact NH1-NE2 3.09Å; R1272-H1320 PolarHBondContact NH2-CE1 3.36Å; R1272-H1320 PolarHBondContact NH2-ND1 3.02Å
1321L91.3Very high85.9Confident4 Ų434 Ų342%0.02119%0.189CC..SBendtrans-129.5152.2173.4-63.1177000108.5I20 L599 H600 T601 F1274 E1319 I1323 I1727I20-L1321 HydrophobicContact CG2-CD2 3.99Å; L599-L1321 HydrophobicContact CB-CD1 4.33Å; L599-L1321 HydrophobicContact CD1-CD1 4.29Å; L599-L1321 HydrophobicContact CD2-CD1 4.32Å; H600-L1321 CarbonylContact O-C 3.56Å; H600-L1321 WeakPolarHBondContact O-CA 3.17Å; T601-L1321 HydrophobicContact CG2-CD2 3.72Å; F1274-L1321 VanDerWaalsContact CZ-C 3.44Å; E1319-L1321 PolarHBondContact O-N 2.79Å; L1321-I1323 HydrophobicContact CB-CG1 4.32Å; L1321-I1323 PolarHBondContact O-N 2.9Å; L1321-I1727 HydrophobicContact CD1-CD1 3.99Å
1322G91Very high86.1Confident0 Ų033.4 Ų33.40%019%0.186CC..EExtended strand (participates in β ladder)trans-74.7114.4164.800000108.1L599 H600 F1274 S1316L599-G1322 WeakPolarHBondContact CA-O 3.45Å; H600-G1322 PolarHBondContact N-O 3.02Å; H600-G1322 PolarHBondContact O-N 3.32Å; F1274-G1322 VanDerWaalsContact CE1-N 3.31Å; S1316-G1322 WeakPolarHBondContact O-CA 3.45Å
1323I90.6Very high86.7Confident16 Ų1636.2 Ų36.28%0.08220%0.195CC..EExtended strand (participates in β ladder)trans-111.4128.8-173.1-52.4-179.8000109.6I534 L536 L598 L599 Y1315 S1316 E1319 L1321I534-I1323 HydrophobicContact CG2-CD1 4.45Å; L536-I1323 HydrophobicContact CD1-CD1 4.44Å; L536-I1323 HydrophobicContact CD2-CD1 4.46Å; L598-I1323 WeakPolarHBondContact O-CA 3.47Å; L599-I1323 HydrophobicContact CD2-CB 4.31Å; L599-I1323 HydrophobicContact CD2-CD1 4.44Å; L599-I1323 HydrophobicContact CD2-CG1 3.81Å; L599-I1323 HydrophobicContact CD2-CG2 4.1Å; Y1315-I1323 WeakPolarHBondContact CA-O 3.38Å; S1316-I1323 PolarHBondContact N-O 2.81Å; S1316-I1323 PolarHBondContact O-N 2.92Å; E1319-I1323 HydrophobicContact CB-CD1 3.85Å; E1319-I1323 HydrophobicContact CB-CG1 4.5Å; E1319-I1323 HydrophobicContact CG-CD1 4.11Å; L1321-I1323 HydrophobicContact CB-CG1 4.32Å; L1321-I1323 PolarHBondContact O-N 2.9Å
1324K88.1Confident87.5Confident30 Ų3037.1 Ų37.113%0.1320%0.196CC..EExtended strand (participates in β ladder)trans-119.3125.4162.2173.3164.8-176.9172.10109.4L598 P1313 G1314 Y1315L598-K1324 HydrophobicContact CB-CB 4.24Å; L598-K1324 HydrophobicContact CD1-CD 4.37Å; L598-K1324 HydrophobicContact CD1-CG 4.39Å; L598-K1324 PolarHBondContact N-O 3.16Å; L598-K1324 PolarHBondContact O-N 2.88Å; P1313-K1324 WeakPolarHBondContact O-CE 3.5Å; P1313-K1324 PolarHBondContact O-NZ 3.41Å; G1314-K1324 WeakPolarHBondContact O-CB 3.33Å; G1314-K1324 VanDerWaalsContact O-CG 3.3Å; G1314-K1324 WeakPolarHBondContact O-CG 3.34Å; Y1315-K1324 HydrophobicContact CD1-CB 3.65Å; Y1315-K1324 HydrophobicContact CD2-CB 3.8Å; Y1315-K1324 HydrophobicContact CD2-CD 3.65Å; Y1315-K1324 HydrophobicContact CD2-CG 4.36Å; Y1315-K1324 HydrophobicContact CE1-CB 3.63Å; Y1315-K1324 HydrophobicContact CE2-CB 3.81Å; Y1315-K1324 HydrophobicContact CE2-CD 3.44Å; Y1315-K1324 VanDerWaalsContact CE2-CD 3.44Å; Y1315-K1324 HydrophobicContact CE2-CG 4.28Å; Y1315-K1324 HydrophobicContact CG-CB 3.74Å; Y1315-K1324 HydrophobicContact CG-CD 4.42Å
1325W86.3Confident88.2Confident64 Ų6435.3 Ų35.324%0.24218%0.177CC..EExtended strand (participates in β ladder)trans-92.3135.3-176.7-129.2161.3000110I578 S592 A597I578-W1325 HydrophobicContact CB-CH2 4.03Å; I578-W1325 HydrophobicContact CD1-CH2 3.7Å; I578-W1325 HydrophobicContact CD1-CZ2 4.35Å; I578-W1325 HydrophobicContact CD1-CZ3 4.15Å; I578-W1325 HydrophobicContact CG1-CH2 4.23Å; S592-W1325 VanDerWaalsContact OG-CE2 3.27Å; S592-W1325 WeakPolarHBondContact OG-CZ2 3.21Å; S592-W1325 PolarHBondContact OG-NE1 2.77Å; A597-W1325 HydrophobicContact CB-CE3 3.86Å; A597-W1325 HydrophobicContact CB-CZ3 3.85Å
1326I87.3Confident88.5Confident4 Ų436.1 Ų36.12%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-122.2100.7171.7-54.3-173000108.3G595 V596 L598 L1328 P1404 W1405G595-I1326 CarbonylContact C-O 3.42Å; G595-I1326 VanDerWaalsContact CA-O 3.26Å; G595-I1326 WeakPolarHBondContact CA-O 3.31Å; V596-I1326 HydrophobicContact CB-CB 4.43Å; V596-I1326 PolarHBondContact N-O 3.46Å; V596-I1326 WeakPolarHBondContact O-CB 3.35Å; V596-I1326 PolarHBondContact O-N 2.6Å; L598-I1326 HydrophobicContact CD1-CD1 3.79Å; L598-I1326 HydrophobicContact CD2-CD1 4.17Å; L598-I1326 HydrophobicContact CG-CD1 3.93Å; L598-I1326 HydrophobicContact CG-CG1 4.38Å; I1326-L1328 HydrophobicContact CG2-CD2 3.8Å; I1326-L1328 HydrophobicContact CG2-CG 4.06Å; I1326-P1404 HydrophobicContact CD1-CG 4.14Å; I1326-P1404 HydrophobicContact CG1-CG 3.91Å; I1326-P1404 HydrophobicContact CG2-CG 4.27Å; I1326-W1405 HydrophobicContact CD1-CD2 3.69Å; I1326-W1405 VanDerWaalsContact CD1-CE2 3.4Å; I1326-W1405 HydrophobicContact CD1-CE3 4.42Å; I1326-W1405 HydrophobicContact CD1-CG 3.87Å; I1326-W1405 HydrophobicContact CD1-CZ2 3.91Å; I1326-W1405 HydrophobicContact CG2-CB 4.49Å; I1326-W1405 HydrophobicContact CG2-CD2 4.1Å; I1326-W1405 HydrophobicContact CG2-CE3 4.05Å; I1326-W1405 HydrophobicContact CG2-CG 4.32Å
1327T83.2Confident88.7Confident94 Ų9434.9 Ų34.958%0.57717%0.171SC*.  trans-75.6126.1169.749.50000109.2
1328L83.3Confident88.7Confident22 Ų2234.9 Ų34.912%0.11517%0.171CC..  trans-125.7149.1174.4-57.3174.9000108.7V596 I1326 P1330 P1332 V1346 Y1390 W1405V596-L1328 HydrophobicContact CG2-CD1 4.04Å; I1326-L1328 HydrophobicContact CG2-CD2 3.8Å; I1326-L1328 HydrophobicContact CG2-CG 4.06Å; L1328-P1330 CarbonylContact C-O 3.47Å; L1328-P1332 HydrophobicContact CD1-CB 4.44Å; L1328-P1332 HydrophobicContact CD1-CG 4.44Å; L1328-V1346 HydrophobicContact CD1-CG1 4.03Å; L1328-V1346 HydrophobicContact CD1-CG2 4.26Å; L1328-Y1390 HydrophobicContact CD1-CE2 4.07Å; L1328-Y1390 HydrophobicContact CD2-CD1 4.39Å; L1328-Y1390 HydrophobicContact CD2-CE1 3.88Å; L1328-W1405 HydrophobicContact CD1-CE3 4Å; L1328-W1405 HydrophobicContact CD1-CZ3 3.97Å; L1328-W1405 HydrophobicContact CD2-CE3 4.36Å
1329D80.1Confident88.5Confident130 Ų13036.9 Ų36.970%0.69519%0.185SC*.SBendtrans-131.2120.2174.2-166.216.7000107.3
1330P82.9Confident88.3Confident21 Ų2141 Ų4114%0.13620%0.204CC..SBendcis-66.7161.70.926.8-32.5000114.7L1328 S1386L1328-P1330 CarbonylContact C-O 3.47Å; P1330-S1386 VanDerWaalsContact CG-OG 3.27Å; P1330-S1386 WeakPolarHBondContact CG-OG 3.32Å
1331V87.3Confident88.3Confident11 Ų1137.8 Ų37.87%0.06719%0.191CC..EExtended strand (participates in β ladder)trans-70.1127.5-168.9172.50000111.8R580 G1348 I1349R580-V1331 WeakPolarHBondContact O-CG1 3.48Å; V1331-G1348 CarbonylContact O-C 3.57Å; V1331-G1348 VanDerWaalsContact O-CA 3.24Å; V1331-G1348 WeakPolarHBondContact O-CA 3.43Å; V1331-I1349 PolarHBondContact N-O 3.37Å; V1331-I1349 VanDerWaalsContact N-O 3.17Å; V1331-I1349 PolarHBondContact O-N 3.04Å
1332P90.7Very high88.1Confident0 Ų042 Ų420%021%0.209CC..EExtended strand (participates in β ladder)trans-73135.5-170.829.8-35.8000113C577 P579 G595 V596 L1328 V1335 V1346C577-P1332 VanDerWaalsContact SG-C 3.56Å; C577-P1332 PolarHBondContact SG-O 2.88Å; C577-P1332 VanDerWaalsContact SG-O 3.35Å; P579-P1332 WeakPolarHBondContact CA-O 3.37Å; G595-P1332 VanDerWaalsContact CA-CG 3.42Å; V596-P1332 HydrophobicContact CG2-CB 4.16Å; V596-P1332 HydrophobicContact CG2-CG 3.96Å; L1328-P1332 HydrophobicContact CD1-CB 4.44Å; L1328-P1332 HydrophobicContact CD1-CG 4.44Å; P1332-V1335 HydrophobicContact CB-CG2 4.49Å; P1332-V1346 HydrophobicContact CB-CG1 3.66Å
1333Y90.5Very high88.1Confident72 Ų7242 Ų4228%0.28221%0.209SC..EExtended strand (participates in β ladder)trans-112.8-44.7178.5-172.1-106.4000112.3C577 P579 V1347 I1349 Y1385C577-Y1333 VanDerWaalsContact SG-C 3.6Å; C577-Y1333 PolarHBondContact SG-O 3.48Å; P579-Y1333 HydrophobicContact CB-CD2 3.66Å; P579-Y1333 HydrophobicContact CB-CE2 4.35Å; P579-Y1333 HydrophobicContact CG-CD2 4.13Å; P579-Y1333 HydrophobicContact CG-CE2 4.46Å; Y1333-V1347 PolarHBondContact N-O 3.31Å; Y1333-I1349 HydrophobicContact CD1-CD1 4.26Å; Y1333-I1349 HydrophobicContact CD2-CD1 3.39Å; Y1333-I1349 HydrophobicContact CE2-CD1 4.03Å; Y1333-I1349 HydrophobicContact CG-CD1 3.53Å; Y1333-I1349 HydrophobicContact CG-CG1 4.31Å; Y1333-Y1385 HydrophobicContact CD1-CE1 4.18Å; Y1333-Y1385 HydrophobicContact CE1-CE1 4.41Å
1334Y93Very high88.2Confident44 Ų4441.3 Ų41.317%0.17321%0.205CC..EExtended strand (participates in β ladder)trans-123.6145.9168.2-64.4-53.9000111.4Q541 V1346 V1347 V1421 T1422 L1424Q541-Y1334 VanDerWaalsContact OE1-CA 3.3Å; Y1334-V1346 WeakPolarHBondContact O-CA 3.25Å; Y1334-V1347 PolarHBondContact N-O 2.69Å; Y1334-V1347 PolarHBondContact O-N 3.24Å; Y1334-V1421 HydrophobicContact CD2-CG1 4.21Å; Y1334-V1421 HydrophobicContact CE2-CG1 4.23Å; Y1334-T1422 PolarHBondContact OH-O 3.43Å; Y1334-L1424 HydrophobicContact CD2-CB 4.46Å
1335V93.7Very high88.5Confident0 Ų039.9 Ų39.90%020%0.199CC..EExtended strand (participates in β ladder)trans-132.5126173.8178.70000108.1Q541 T543 M575 C577 V596 P1332 A1345 V1346 W1405Q541-V1335 PolarHBondContact NE2-O 2.78Å; Q541-V1335 PolarHBondContact OE1-O 3.01Å; T543-V1335 HydrophobicContact CG2-CB 4.29Å; T543-V1335 HydrophobicContact CG2-CG1 4.28Å; M575-V1335 HydrophobicContact CE-CG1 4.45Å; M575-V1335 HydrophobicContact SD-CG1 4.16Å; C577-V1335 HydrophobicContact CB-CG2 3.96Å; V596-V1335 HydrophobicContact CB-CG2 4.5Å; V596-V1335 HydrophobicContact CG1-CG1 4.48Å; V596-V1335 HydrophobicContact CG1-CG2 4.15Å; V596-V1335 HydrophobicContact CG2-CG2 3.53Å; P1332-V1335 HydrophobicContact CB-CG2 4.49Å; V1335-A1345 WeakPolarHBondContact CA-O 3.5Å; V1335-V1346 HydrophobicContact CG2-CG2 4.34Å; V1335-W1405 HydrophobicContact CG1-CH2 4.22Å
1336Q93.5Very high89Confident36 Ų3637 Ų3717%0.16819%0.189CC..EExtended strand (participates in β ladder)trans-128.4122.7174.6-178.257.224.200109.8A1345 L1424 T1426 L1442Q1336-A1345 PolarHBondContact N-O 3.26Å; Q1336-A1345 PolarHBondContact O-N 3.41Å; Q1336-L1424 HydrophobicContact CB-CD2 3.68Å; Q1336-L1424 HydrophobicContact CB-CG 3.92Å; Q1336-T1426 PolarHBondContact NE2-OG1 3Å; Q1336-L1442 HydrophobicContact CG-CD2 3.96Å
1337Y92Very high89.3Confident14 Ų1436.8 Ų36.86%0.05519%0.188CC..EExtended strand (participates in β ladder)trans-78.2128.3172.1-175.3-110000109.8E546 V1339 K1342 Y1344E546-Y1337 HydrophobicContact CB-CE1 4.14Å; E546-Y1337 WeakPolarHBondContact CB-OH 3.44Å; Y1337-V1339 HydrophobicContact CD1-CG2 3.99Å; Y1337-V1339 HydrophobicContact CE1-CG2 4.17Å; Y1337-K1342 WeakPolarHBondContact OH-CA 3.08Å; Y1337-K1342 WeakPolarHBondContact OH-CB 3.21Å; Y1337-Y1344 AromaticContact CD2-CD1 3.75Å; Y1337-Y1344 HydrophobicContact CD2-CD1 3.75Å; Y1337-Y1344 AromaticContact CD2-CE1 3.68Å; Y1337-Y1344 HydrophobicContact CD2-CE1 3.68Å; Y1337-Y1344 HydrophobicContact CD2-CG 4.3Å; Y1337-Y1344 HydrophobicContact CE2-CE1 4.21Å
1338H91.5Very high89.8Confident2 Ų232.5 Ų32.51%0.00916%0.162CC..EExtended strand (participates in β ladder)trans-99.7111.7175.5-166.5-108.7000109.5S1341 K1342 T1343H1338-S1341 PolarHBondContact ND1-OG 2.75Å; H1338-K1342 VanDerWaalsContact O-CA 3.31Å; H1338-K1342 WeakPolarHBondContact O-CA 3.37Å; H1338-K1342 PolarHBondContact O-N 2.76Å; H1338-T1343 PolarHBondContact N-O 3.07Å; H1338-T1343 PolarHBondContact O-N 2.91Å
1339V85.5Confident90.1Very high90 Ų9032.2 Ų32.255%0.54516%0.16SC..THydrogen-bonded Turntrans-70.9-39.1-166.5-178.20000112.5Y1337Y1337-V1339 HydrophobicContact CD1-CG2 3.99Å; Y1337-V1339 HydrophobicContact CE1-CG2 4.17Å
1340E84.8Confident90.5Very high124 Ų12430.1 Ų30.158%0.57915%0.146SC*.THydrogen-bonded Turntrans-67.6-40.8-175.3-60.5-169.7166.700112.6
1341S86.8Confident90.6Very high16 Ų1631.3 Ų31.311%0.11216%0.155CC..THydrogen-bonded Turntrans-93.3-10.1178.957.50000114.1H1338 T1343H1338-S1341 PolarHBondContact ND1-OG 2.75Å; S1341-T1343 PolarHBondContact O-N 2.76Å; S1341-T1343 PolarHBondContact OG-OG1 3.39Å
1342K87.8Confident90.6Very high91 Ų9135.1 Ų35.140%0.39617%0.172SC..THydrogen-bonded Turntrans56.229.9-172.3-54.3-158.2-177.7-159.70115.1E546 Y1337 H1338E546-K1342 IonicContact OE1-NZ 3.84Å; E546-K1342 PolarHBondContact OE1-NZ 2.7Å; E546-K1342 WeakPolarHBondContact OE2-CE 3.24Å; E546-K1342 IonicContact OE2-NZ 2.69Å; E546-K1342 PolarHBondContact OE2-NZ 2.94Å; Y1337-K1342 WeakPolarHBondContact OH-CA 3.08Å; Y1337-K1342 WeakPolarHBondContact OH-CB 3.21Å; H1338-K1342 VanDerWaalsContact O-CA 3.31Å; H1338-K1342 WeakPolarHBondContact O-CA 3.37Å; H1338-K1342 PolarHBondContact O-N 2.76Å
1343T91.3Very high90.4Very high1 Ų139 Ų391%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-106.5157.7179.755.70000112.2H1338 S1341 M1389 Y1390 I1408H1338-T1343 PolarHBondContact N-O 3.07Å; H1338-T1343 PolarHBondContact O-N 2.91Å; S1341-T1343 PolarHBondContact O-N 2.76Å; S1341-T1343 PolarHBondContact OG-OG1 3.39Å; T1343-M1389 VanDerWaalsContact OG1-CE 3.29Å; T1343-M1389 WeakPolarHBondContact OG1-CE 3.23Å; T1343-Y1390 WeakPolarHBondContact CB-O 3.21Å; T1343-I1408 HydrophobicContact CG2-CD1 3.63Å
1344Y93.3Very high90.3Very high1 Ų136.3 Ų36.30%0.00419%0.189CC..EExtended strand (participates in β ladder)trans-102125.2174.7-50.8-98.5000109.9E573 M575 Y1337 Y1390 P1392 W1405E573-Y1344 PolarHBondContact OE1-OH 2.87Å; M575-Y1344 HydrophobicContact CE-CD1 3.8Å; M575-Y1344 HydrophobicContact CE-CE1 3.6Å; M575-Y1344 HydrophobicContact SD-CD1 3.82Å; M575-Y1344 HydrophobicContact SD-CE1 3.55Å; M575-Y1344 VanDerWaalsContact SD-CE1 3.55Å; Y1337-Y1344 AromaticContact CD2-CD1 3.75Å; Y1337-Y1344 HydrophobicContact CD2-CD1 3.75Å; Y1337-Y1344 AromaticContact CD2-CE1 3.68Å; Y1337-Y1344 HydrophobicContact CD2-CE1 3.68Å; Y1337-Y1344 HydrophobicContact CD2-CG 4.3Å; Y1337-Y1344 HydrophobicContact CE2-CE1 4.21Å; Y1344-Y1390 PolarHBondContact N-O 2.61Å; Y1344-Y1390 PolarHBondContact O-N 3.23Å; Y1344-P1392 HydrophobicContact CE2-CB 4.17Å; Y1344-P1392 HydrophobicContact CE2-CG 4.3Å; Y1344-W1405 AromaticContact CD1-CH2 3.65Å; Y1344-W1405 HydrophobicContact CD1-CH2 3.65Å; Y1344-W1405 AromaticContact CD1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CD1-CZ2 3.42Å; Y1344-W1405 VanDerWaalsContact CD1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CD2-CD2 4.21Å; Y1344-W1405 AromaticContact CD2-CE2 3.73Å; Y1344-W1405 HydrophobicContact CD2-CH2 4.36Å; Y1344-W1405 AromaticContact CD2-CZ2 3.85Å; Y1344-W1405 HydrophobicContact CD2-CZ2 3.85Å; Y1344-W1405 AromaticContact CD2-NE1 3.92Å; Y1344-W1405 HydrophobicContact CE1-CH2 4.11Å; Y1344-W1405 AromaticContact CE1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CE1-CZ2 3.42Å; Y1344-W1405 VanDerWaalsContact CE1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CE2-CD2 4.45Å; Y1344-W1405 AromaticContact CE2-CE2 3.64Å; Y1344-W1405 AromaticContact CE2-CZ2 3.86Å; Y1344-W1405 HydrophobicContact CE2-CZ2 3.86Å; Y1344-W1405 AromaticContact CE2-NE1 3.42Å; Y1344-W1405 AromaticContact CG-CE2 3.99Å; Y1344-W1405 AromaticContact CG-CH2 3.79Å; Y1344-W1405 HydrophobicContact CG-CH2 3.79Å; Y1344-W1405 AromaticContact CG-CZ2 3.63Å; Y1344-W1405 HydrophobicContact CG-CZ2 3.63Å; Y1344-W1405 HydrophobicContact CG-CZ3 4.3Å; Y1344-W1405 AromaticContact CZ-CE2 3.8Å; Y1344-W1405 AromaticContact CZ-CZ2 3.63Å; Y1344-W1405 AromaticContact CZ-NE1 3.64Å
1345A94.8Very high90Very high0 Ų040.8 Ų40.80%021%0.209CC..EExtended strand (participates in β ladder)trans-91.7127.7168.400000109V1335 Q1336 L1387 M1389 L1424 L1442V1335-A1345 WeakPolarHBondContact CA-O 3.5Å; Q1336-A1345 PolarHBondContact N-O 3.26Å; Q1336-A1345 PolarHBondContact O-N 3.41Å; A1345-L1387 HydrophobicContact CB-CD1 4.42Å; A1345-M1389 HydrophobicContact CB-CE 4.2Å; A1345-M1389 HydrophobicContact CB-SD 3.54Å; A1345-M1389 VanDerWaalsContact CB-SD 3.54Å; A1345-L1424 HydrophobicContact CB-CD2 4.29Å; A1345-L1442 HydrophobicContact CB-CD1 3.79Å; A1345-L1442 HydrophobicContact CB-CD2 4.31Å
1346V95Very high89.7Confident4 Ų441.6 Ų41.62%0.02422%0.215CC..EExtended strand (participates in β ladder)trans-129.8125.9-174.4-179.50000110.1L1328 P1332 Y1334 V1335 L1387 Q1388 Y1390 W1405L1328-V1346 HydrophobicContact CD1-CG1 4.03Å; L1328-V1346 HydrophobicContact CD1-CG2 4.26Å; P1332-V1346 HydrophobicContact CB-CG1 3.66Å; Y1334-V1346 WeakPolarHBondContact O-CA 3.25Å; V1335-V1346 HydrophobicContact CG2-CG2 4.34Å; V1346-L1387 WeakPolarHBondContact O-CA 3.45Å; V1346-Q1388 PolarHBondContact N-O 3.1Å; V1346-Q1388 PolarHBondContact O-N 3.23Å; V1346-Y1390 HydrophobicContact CB-CD2 4.01Å; V1346-Y1390 HydrophobicContact CB-CE2 3.83Å; V1346-Y1390 HydrophobicContact CG1-CE2 4.37Å; V1346-Y1390 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1390 HydrophobicContact CG2-CE2 3.9Å; V1346-W1405 HydrophobicContact CG2-CZ3 4.02Å
1347V95.1Very high89.4Confident0 Ų042.5 Ų42.50%022%0.223CC..EExtended strand (participates in β ladder)trans-95.9118.8168.6174.80000108.1Y1333 Y1334 Y1385 S1386 L1387 V1421 L1424 L1444Y1333-V1347 PolarHBondContact N-O 3.31Å; Y1334-V1347 PolarHBondContact N-O 2.69Å; Y1334-V1347 PolarHBondContact O-N 3.24Å; V1347-Y1385 HydrophobicContact CG1-CD1 3.96Å; V1347-S1386 CarbonylContact C-O 3.55Å; V1347-S1386 WeakPolarHBondContact CA-O 3.36Å; V1347-L1387 HydrophobicContact CG2-CB 4.46Å; V1347-L1387 HydrophobicContact CG2-CD1 3.93Å; V1347-V1421 HydrophobicContact CG1-CB 4.17Å; V1347-V1421 HydrophobicContact CG1-CG1 4.25Å; V1347-V1421 HydrophobicContact CG1-CG2 4.16Å; V1347-V1421 HydrophobicContact CG2-CG1 4.39Å; V1347-L1424 HydrophobicContact CG2-CD2 4.17Å; V1347-L1444 HydrophobicContact CG2-CD1 4.02Å
1348G93Very high89.2Confident3 Ų343.6 Ų43.63%0.03123%0.228CC..EExtended strand (participates in β ladder)trans-108.1151.9179.100000113.2V1331 Y1385 S1386V1331-G1348 CarbonylContact O-C 3.57Å; V1331-G1348 VanDerWaalsContact O-CA 3.24Å; V1331-G1348 WeakPolarHBondContact O-CA 3.43Å; G1348-Y1385 WeakPolarHBondContact O-CA 3.33Å; G1348-S1386 PolarHBondContact N-O 2.58Å; G1348-S1386 PolarHBondContact O-N 3.37Å
1349I90.4Very high89Confident17 Ų1748.9 Ų48.99%0.08725%0.248CC..EExtended strand (participates in β ladder)trans-115.9141.1178.6-65.4174.6000110.8V1331 Y1333 D1383 Y1384 Y1385V1331-I1349 PolarHBondContact N-O 3.37Å; V1331-I1349 VanDerWaalsContact N-O 3.17Å; V1331-I1349 PolarHBondContact O-N 3.04Å; Y1333-I1349 HydrophobicContact CD1-CD1 4.26Å; Y1333-I1349 HydrophobicContact CD2-CD1 3.39Å; Y1333-I1349 HydrophobicContact CE2-CD1 4.03Å; Y1333-I1349 HydrophobicContact CG-CD1 3.53Å; Y1333-I1349 HydrophobicContact CG-CG1 4.31Å; I1349-D1383 HydrophobicContact CG2-CB 3.97Å; I1349-Y1384 VanDerWaalsContact CA-O 3.32Å; I1349-Y1384 WeakPolarHBondContact CA-O 3.47Å; I1349-Y1385 HydrophobicContact CD1-CD1 4.25Å; I1349-Y1385 HydrophobicContact CD1-CE1 3.47Å; I1349-Y1385 VanDerWaalsContact CD1-CE1 3.47Å; I1349-Y1385 WeakPolarHBondContact CD1-OH 3.31Å; I1349-Y1385 HydrophobicContact CG1-CD1 3.79Å; I1349-Y1385 HydrophobicContact CG1-CE1 3.54Å; I1349-Y1385 HydrophobicContact CG1-CE2 4.47Å; I1349-Y1385 HydrophobicContact CG1-CG 4.37Å
1350H87.6Confident89Confident85 Ų8548.2 Ų48.239%0.39424%0.241SC..EExtended strand (participates in β ladder)trans-127.8153.515961.4-83.6000110.4D1383 Y1384H1350-D1383 WeakPolarHBondContact O-CA 3.37Å; H1350-Y1384 AromaticContact CD2-CD2 3.98Å; H1350-Y1384 VanDerWaalsContact CE1-CB 3.46Å; H1350-Y1384 WeakPolarHBondContact CE1-CB 3.34Å; H1350-Y1384 PolarHBondContact N-O 3.42Å; H1350-Y1384 VanDerWaalsContact N-O 3.09Å; H1350-Y1384 WeakPolarHBondContact NE2-CB 3.41Å; H1350-Y1384 AromaticContact NE2-CD2 3.9Å; H1350-Y1384 AromaticContact NE2-CG 3.74Å; H1350-Y1384 PolarHBondContact O-N 3.42Å
1351S85.6Confident89.1Confident46 Ų4644.2 Ų44.232%0.32222%0.223SC..EExtended strand (participates in β ladder)trans-127.3128.8-171.3-50.70000111.8L1382 D1383S1351-L1382 CarbonylContact C-O 3.51Å; S1351-L1382 WeakPolarHBondContact CA-O 3.29Å; S1351-D1383 VanDerWaalsContact CB-OD1 3.29Å; S1351-D1383 WeakPolarHBondContact CB-OD1 3.32Å; S1351-D1383 PolarHBondContact OG-OD1 2.83Å
1352E87.1Confident88.9Confident91 Ų9149.1 Ų49.143%0.42526%0.264SS..EExtended strand (participates in β ladder)trans-125.2160.8179.8-57.1-166.9123.200114C1354 T1381 L1382 Y1384E1352-C1354 PolarHBondContact O-N 2.94Å; E1352-T1381 CarbonylContact O-C 3.51Å; E1352-T1381 WeakPolarHBondContact O-CA 3.48Å; E1352-L1382 PolarHBondContact N-O 3.08Å; E1352-L1382 PolarHBondContact O-N 3.1Å; E1352-Y1384 HydrophobicContact CB-CE2 3.89Å; E1352-Y1384 HydrophobicContact CG-CD2 4.22Å; E1352-Y1384 HydrophobicContact CG-CE2 3.63Å; E1352-Y1384 WeakPolarHBondContact OE2-CE2 3.29Å; E1352-Y1384 VanDerWaalsContact OE2-CZ 3.28Å; E1352-Y1384 PolarHBondContact OE2-OH 3.39Å
1353P86.8Confident88.8Confident82 Ų8251.9 Ų51.953%0.53228%0.279SS..EExtended strand (participates in β ladder)trans-72.8113.4173.7-1530.9000113L1379P1353-L1379 HydrophobicContact CB-CB 4.48Å; P1353-L1379 HydrophobicContact CB-CD1 4.39Å
1354C87.6Confident88.2Confident15 Ų1554.2 Ų54.210%0.10130%0.303CS..  trans-77.1135.9-177.8-169.70000112.3E1352 S1356 P1380 L1382 W1418E1352-C1354 PolarHBondContact O-N 2.94Å; C1354-S1356 PolarHBondContact SG-O 3.47Å; C1354-S1356 VanDerWaalsContact SG-O 3.33Å; C1354-P1380 HydrophobicContact CB-CG 4.32Å; C1354-P1380 PolarHBondContact N-O 3.02Å; C1354-L1382 HydrophobicContact CB-CB 3.98Å; C1354-W1418 WeakPolarHBondContact SG-CZ2 3.42Å
1355K86.5Confident87.8Confident139 Ų13958.5 Ų58.560%0.60433%0.326SS*.  trans-118.4-12.6-174.5-65.9166.2-169.9156.70114.1L1371 L1379K1355-L1371 WeakPolarHBondContact O-CB 3.23Å; K1355-L1371 PolarHBondContact O-N 2.65Å; K1355-L1379 HydrophobicContact CG-CD1 4.04Å
1356S87.5Confident87.3Confident16 Ų1663.6 Ų63.611%0.11235%0.348CS..EExtended strand (participates in β ladder)trans-120160.8-179.552.70000112C1354 E1368 D1369C1354-S1356 PolarHBondContact SG-O 3.47Å; C1354-S1356 VanDerWaalsContact SG-O 3.33Å; S1356-E1368 WeakPolarHBondContact CB-OE1 3.28Å; S1356-E1368 PolarHBondContact OG-OE1 2.86Å; S1356-D1369 WeakPolarHBondContact CA-O 3.13Å
1357V87.9Confident87Confident56 Ų5669 Ų6934%0.33937%0.373SS..EExtended strand (participates in β ladder)trans-138.7130172.3168.60000108.4D1369 L1371V1357-D1369 PolarHBondContact N-O 2.88Å; V1357-D1369 WeakPolarHBondContact O-CB 3.46Å; V1357-D1369 PolarHBondContact O-N 3.25Å; V1357-L1371 HydrophobicContact CB-CD1 4.28Å; V1357-L1371 HydrophobicContact CG2-CD1 3.64Å; V1357-L1371 HydrophobicContact CG2-CG 4.39Å
1358F88Confident86.6Confident37 Ų3774 Ų7416%0.16240%0.397CS..EExtended strand (participates in β ladder)trans-78.1144.3173.9-73.5-93.2000111.4K1366 E1367 E1368 W1418 Y1450 I1454F1358-K1366 HydrophobicContact CD1-CB 4.25Å; F1358-E1367 CarbonylContact C-O 3.52Å; F1358-E1367 WeakPolarHBondContact CA-O 3.17Å; F1358-E1368 HydrophobicContact CD1-CB 4.13Å; F1358-E1368 HydrophobicContact CE1-CB 3.75Å; F1358-E1368 HydrophobicContact CE1-CG 4.19Å; F1358-E1368 HydrophobicContact CE2-CG 4.16Å; F1358-E1368 HydrophobicContact CZ-CB 4Å; F1358-E1368 HydrophobicContact CZ-CG 3.94Å; F1358-W1418 AromaticContact CD2-NE1 3.99Å; F1358-W1418 AromaticContact CE2-CD1 3.95Å; F1358-W1418 AromaticContact CE2-NE1 3.57Å; F1358-Y1450 HydrophobicContact CB-CD1 4.45Å; F1358-Y1450 HydrophobicContact CD1-CD1 4.48Å; F1358-Y1450 AromaticContact CD2-CD1 3.6Å; F1358-Y1450 HydrophobicContact CD2-CD1 3.6Å; F1358-Y1450 HydrophobicContact CD2-CE1 4.27Å; F1358-Y1450 HydrophobicContact CD2-CG 4.47Å; F1358-Y1450 AromaticContact CE2-CD1 3.93Å; F1358-Y1450 HydrophobicContact CE2-CD1 3.93Å; F1358-Y1450 HydrophobicContact CE2-CE1 4.16Å; F1358-Y1450 AromaticContact CG-CD1 3.91Å; F1358-Y1450 HydrophobicContact CG-CD1 3.91Å; F1358-Y1450 HydrophobicContact CG-CG 4.48Å; F1358-Y1450 HydrophobicContact CZ-CD1 4.49Å; F1358-Y1450 HydrophobicContact CZ-CE1 4.38Å; F1358-I1454 HydrophobicContact CB-CD1 3.52Å
1359R86.3Confident86.3Confident113 Ų11376.6 Ų76.643%0.42641%0.41SS..EExtended strand (participates in β ladder)trans-130.4165.1166.4-61.7-163.9-166.996.420.3110.7E1367 D1369R1359-E1367 PolarHBondContact N-O 3.28Å; R1359-E1367 PolarHBondContact O-N 3.08Å; R1359-D1369 IonicContact CZ-OD2 2.74Å; R1359-D1369 IonicContact NH1-OD2 3.7Å; R1359-D1369 PolarHBondContact NH1-OD2 2.8Å; R1359-D1369 IonicContact NH2-OD2 2.76Å; R1359-D1369 PolarHBondContact NH2-OD2 2.88Å
1360L86.3Confident86.1Confident76 Ų7680.3 Ų80.340%0.39843%0.433SS..EExtended strand (participates in β ladder)trans-86.2124.9164-64.7176.6000109.2N1365 E1453 I1454L1360-N1365 WeakPolarHBondContact CA-O 3.39Å; L1360-E1453 WeakPolarHBondContact CD1-O 3.39Å; L1360-I1454 HydrophobicContact CD2-CG1 4.01Å; L1360-I1454 HydrophobicContact CG-CG1 3.92Å
1361N86.4Confident85.8Confident40 Ų4078.2 Ų78.221%0.21443%0.425CS..  trans-74.3174.2170.388.1-10.5000110.7E1363 G1364 N1365 E1367N1361-E1363 PolarHBondContact ND2-OE2 3.02Å; N1361-E1363 PolarHBondContact O-N 3.17Å; N1361-E1363 WeakPolarHBondContact OD1-CA 2.94Å; N1361-E1363 VanDerWaalsContact OD1-CB 3.28Å; N1361-E1363 WeakPolarHBondContact OD1-CB 3.24Å; N1361-E1363 PolarHBondContact OD1-N 3.34Å; N1361-G1364 PolarHBondContact O-N 3.09Å; N1361-G1364 PolarHBondContact OD1-N 3.43Å; N1361-G1364 VanDerWaalsContact OD1-N 3.16Å; N1361-N1365 PolarHBondContact N-O 3.47Å; N1361-N1365 PolarHBondContact OD1-N 3.4Å; N1361-E1367 HydrophobicContact CB-CB 4.45Å; N1361-E1367 WeakPolarHBondContact CB-OE2 3.49Å
1362A83.6Confident85.7Confident118 Ų11882.3 Ų82.398%0.97545%0.447SS*.THydrogen-bonded Turntrans-64.3-10.6-17800000114.8
1363E84.3Confident85.6Confident150 Ų15084.3 Ų84.370%0.70145%0.451SS*.THydrogen-bonded Turntrans-97.9-9178.8-47.9167.1140.400111.9N1361 N1365N1361-E1363 PolarHBondContact ND2-OE2 3.02Å; N1361-E1363 PolarHBondContact O-N 3.17Å; N1361-E1363 WeakPolarHBondContact OD1-CA 2.94Å; N1361-E1363 VanDerWaalsContact OD1-CB 3.28Å; N1361-E1363 WeakPolarHBondContact OD1-CB 3.24Å; N1361-E1363 PolarHBondContact OD1-N 3.34Å; E1363-N1365 PolarHBondContact OE2-ND2 3.32Å
1364G79.7Confident85.4Confident50 Ų5083.8 Ų83.852%0.51545%0.447SS..SBendtrans87.78.1-174.400000114.7N1361N1361-G1364 PolarHBondContact O-N 3.09Å; N1361-G1364 PolarHBondContact OD1-N 3.43Å; N1361-G1364 VanDerWaalsContact OD1-N 3.16Å
1365N84.8Confident85.3Confident91 Ų9192.9 Ų92.949%0.48749%0.485SS..  trans-78.6147.8174.5-65.3-44.9000110.7L1360 N1361 E1363L1360-N1365 WeakPolarHBondContact CA-O 3.39Å; N1361-N1365 PolarHBondContact N-O 3.47Å; N1361-N1365 PolarHBondContact OD1-N 3.4Å; E1363-N1365 PolarHBondContact OE2-ND2 3.32Å
1366K85Confident85.2Confident107 Ų10788.7 Ų88.747%0.46547%0.472SS..EExtended strand (participates in β ladder)trans-72.7129168.9-59.2179.3-171.2169.40108.7F1358 Y1450F1358-K1366 HydrophobicContact CD1-CB 4.25Å; K1366-Y1450 HydrophobicContact CD-CE2 4.27Å; K1366-Y1450 VanDerWaalsContact NZ-CZ 3.33Å; K1366-Y1450 PolarHBondContact NZ-OH 3.27Å; K1366-Y1450 VanDerWaalsContact NZ-OH 3.09Å
1367E86.7Confident85.2Confident118 Ų11888.6 Ų88.655%0.55147%0.471SS*.EExtended strand (participates in β ladder)trans-128.3134.8175.7-170171.2-17500109.3F1358 R1359 N1361F1358-E1367 CarbonylContact C-O 3.52Å; F1358-E1367 WeakPolarHBondContact CA-O 3.17Å; R1359-E1367 PolarHBondContact N-O 3.28Å; R1359-E1367 PolarHBondContact O-N 3.08Å; N1361-E1367 HydrophobicContact CB-CB 4.45Å; N1361-E1367 WeakPolarHBondContact CB-OE2 3.49Å
1368E87.2Confident85.1Confident104 Ų10488.2 Ų88.249%0.48647%0.468SS..EExtended strand (participates in β ladder)trans-95.6112.2-176.2-171.7175.1-170.900111S1356 F1358S1356-E1368 WeakPolarHBondContact CB-OE1 3.28Å; S1356-E1368 PolarHBondContact OG-OE1 2.86Å; F1358-E1368 HydrophobicContact CD1-CB 4.13Å; F1358-E1368 HydrophobicContact CE1-CB 3.75Å; F1358-E1368 HydrophobicContact CE1-CG 4.19Å; F1358-E1368 HydrophobicContact CE2-CG 4.16Å; F1358-E1368 HydrophobicContact CZ-CB 4Å; F1358-E1368 HydrophobicContact CZ-CG 3.94Å
1369D86.4Confident85.1Confident58 Ų5889.6 Ų89.631%0.3148%0.477SS..EExtended strand (participates in β ladder)trans-93.4108.3176.7-178.322.8000110.3S1356 V1357 R1359 L1371S1356-D1369 WeakPolarHBondContact CA-O 3.13Å; V1357-D1369 PolarHBondContact N-O 2.88Å; V1357-D1369 WeakPolarHBondContact O-CB 3.46Å; V1357-D1369 PolarHBondContact O-N 3.25Å; R1359-D1369 IonicContact CZ-OD2 2.74Å; R1359-D1369 IonicContact NH1-OD2 3.7Å; R1359-D1369 PolarHBondContact NH1-OD2 2.8Å; R1359-D1369 IonicContact NH2-OD2 2.76Å; R1359-D1369 PolarHBondContact NH2-OD2 2.88Å; D1369-L1371 PolarHBondContact O-N 3Å; D1369-L1371 WeakPolarHBondContact OD2-CD2 3.26Å
1370V86.7Confident85.1Confident95 Ų9588.2 Ų88.258%0.57648%0.483SS*.EExtended strand (participates in β ladder)trans-79.5108.5178.5-178.30000109.7V1372V1370-V1372 PolarHBondContact O-N 2.8Å
1371L81.3Confident85.1Confident41 Ų4189.6 Ų89.622%0.21549%0.494CS..  trans-78.890.4-169.2-61.6-176.3000112.2K1355 V1357 D1369 R1373K1355-L1371 WeakPolarHBondContact O-CB 3.23Å; K1355-L1371 PolarHBondContact O-N 2.65Å; V1357-L1371 HydrophobicContact CB-CD1 4.28Å; V1357-L1371 HydrophobicContact CG2-CD1 3.64Å; V1357-L1371 HydrophobicContact CG2-CG 4.39Å; D1369-L1371 PolarHBondContact O-N 3Å; D1369-L1371 WeakPolarHBondContact OD2-CD2 3.26Å; L1371-R1373 HydrophobicContact CB-CG 4.44Å; L1371-R1373 PolarHBondContact O-N 3Å
1372V84.5Confident85.3Confident131 Ų13188.8 Ų88.879%0.79449%0.49SS*.  trans-59.2122.2166.6-175.60000109.4V1370V1370-V1372 PolarHBondContact O-N 2.8Å
1373R83.4Confident85.6Confident133 Ų13386.2 Ų86.250%0.50246%0.46SS..  trans-138.9152.8-177.8-69.7-63.1178.9-90.12.8110.5L1371 C1377L1371-R1373 HydrophobicContact CB-CG 4.44Å; L1371-R1373 PolarHBondContact O-N 3Å; R1373-C1377 HydrophobicContact CB-CB 3.88Å
1374P84.5Confident86Confident71 Ų7181.7 Ų81.746%0.46144%0.437SS..  trans-66.8156176.729.5-35.3000110.9C313 T1376 C1377C313-P1374 HydrophobicContact CB-CG 4.32Å; P1374-T1376 PolarHBondContact O-N 2.69Å; P1374-C1377 HydrophobicContact CG-CB 4.18Å; P1374-C1377 WeakPolarHBondContact O-CB 3.3Å; P1374-C1377 PolarHBondContact O-N 2.98Å
1375K83.7Confident86.7Confident206 Ų20680 Ų8090%0.89642%0.415SS*.THydrogen-bonded Turntrans-60.5-10.6175.7-64.7-171.6179.4-174.60114.2P332P332-K1375 WeakPolarHBondContact CG-O 3.5Å
1376T85Confident87.2Confident52 Ų5276 Ų7632%0.31939%0.394SS..THydrogen-bonded Turntrans-94.716.4174.849.40000113.4C313 V327 P332 P1374C313-T1376 PolarHBondContact N-O 2.88Å; C313-T1376 PolarHBondContact SG-O 2.88Å; C313-T1376 VanDerWaalsContact SG-O 3.38Å; V327-T1376 HydrophobicContact CB-CG2 4.43Å; V327-T1376 HydrophobicContact CG1-CG2 4.3Å; P332-T1376 VanDerWaalsContact CB-C 3.41Å; P332-T1376 WeakPolarHBondContact CB-O 3.36Å; P1374-T1376 PolarHBondContact O-N 2.69Å
1377C86.9Confident87.7Confident13 Ų1370.9 Ų70.99%0.08837%0.372CS..PPolyproline II helixtrans-102.4132.7178.8-1660000111.4Y314 R1373 P1374Y314-C1377 VanDerWaalsContact CZ-SG 3.6Å; Y314-C1377 PolarHBondContact OH-SG 2.84Å; R1373-C1377 HydrophobicContact CB-CB 3.88Å; P1374-C1377 HydrophobicContact CG-CB 4.18Å; P1374-C1377 WeakPolarHBondContact O-CB 3.3Å; P1374-C1377 PolarHBondContact O-N 2.98Å
1378V86.4Confident88Confident48 Ų4866.7 Ų66.729%0.29135%0.352SS..PPolyproline II helixtrans-83.5127.6170.1-174.50000108.7N312 Y314 P332N312-V1378 HydrophobicContact CB-CG2 4.21Å; Y314-V1378 HydrophobicContact CE2-CB 4.33Å; Y314-V1378 PolarHBondContact OH-O 2.89Å; Y314-V1378 VanDerWaalsContact OH-O 3.06Å; P332-V1378 HydrophobicContact CB-CG2 4.07Å
1379L87.5Confident88.3Confident66 Ų6661.9 Ų61.935%0.34633%0.33SS..PPolyproline II helixtrans-93.3151.2178.2-64.3179000111.7P1353 K1355P1353-L1379 HydrophobicContact CB-CB 4.48Å; P1353-L1379 HydrophobicContact CB-CD1 4.39Å; K1355-L1379 HydrophobicContact CG-CD1 4.04Å
1380P87.4Confident88.7Confident84 Ų8459.8 Ų59.855%0.54532%0.318SS..PPolyproline II helixtrans-73.2163.716932.2-33.7000111.5C1354C1354-P1380 HydrophobicContact CB-CG 4.32Å; C1354-P1380 PolarHBondContact N-O 3.02Å
1381T86.6Confident88.8Confident105 Ų10555.9 Ų55.964%0.64430%0.295SS*.EExtended strand (participates in β ladder)trans-101.9146.9173.349.90000111.7E1352E1352-T1381 CarbonylContact O-C 3.51Å; E1352-T1381 WeakPolarHBondContact O-CA 3.48Å
1382L90Very high88.9Confident23 Ų2355.5 Ų55.512%0.1230%0.295CS..EExtended strand (participates in β ladder)trans-115.4138.1169.9177.163.7000109S1351 E1352 C1354 Y1384 W1418S1351-L1382 CarbonylContact C-O 3.51Å; S1351-L1382 WeakPolarHBondContact CA-O 3.29Å; E1352-L1382 PolarHBondContact N-O 3.08Å; E1352-L1382 PolarHBondContact O-N 3.1Å; C1354-L1382 HydrophobicContact CB-CB 3.98Å; L1382-Y1384 HydrophobicContact CD2-CE2 4.47Å; L1382-W1418 HydrophobicContact CD1-CD2 3.76Å; L1382-W1418 HydrophobicContact CD1-CE3 3.66Å; L1382-W1418 HydrophobicContact CD1-CG 4.24Å; L1382-W1418 HydrophobicContact CD1-CH2 4.5Å; L1382-W1418 HydrophobicContact CD1-CZ3 4.05Å; L1382-W1418 HydrophobicContact CD2-CD2 4.18Å; L1382-W1418 HydrophobicContact CD2-CG 4.39Å; L1382-W1418 HydrophobicContact CD2-CZ2 4.36Å
1383D89.9Confident88.7Confident65 Ų6550.3 Ų50.335%0.34826%0.263SS..EExtended strand (participates in β ladder)trans-99.4130.8176.6-63.4-35.7000110.2I1349 H1350 S1351 Y1385I1349-D1383 HydrophobicContact CG2-CB 3.97Å; H1350-D1383 WeakPolarHBondContact O-CA 3.37Å; S1351-D1383 VanDerWaalsContact CB-OD1 3.29Å; S1351-D1383 WeakPolarHBondContact CB-OD1 3.32Å; S1351-D1383 PolarHBondContact OG-OD1 2.83Å; D1383-Y1385 HydrophobicContact CB-CE2 4.08Å
1384Y92.7Very high88Confident55 Ų5548.6 Ų48.622%0.21626%0.263CS..EExtended strand (participates in β ladder)trans-109.6147.2174.6-61.8-103.8000110.1I1349 H1350 E1352 L1382 P1417I1349-Y1384 VanDerWaalsContact CA-O 3.32Å; I1349-Y1384 WeakPolarHBondContact CA-O 3.47Å; H1350-Y1384 AromaticContact CD2-CD2 3.98Å; H1350-Y1384 VanDerWaalsContact CE1-CB 3.46Å; H1350-Y1384 WeakPolarHBondContact CE1-CB 3.34Å; H1350-Y1384 PolarHBondContact N-O 3.42Å; H1350-Y1384 VanDerWaalsContact N-O 3.09Å; H1350-Y1384 WeakPolarHBondContact NE2-CB 3.41Å; H1350-Y1384 AromaticContact NE2-CD2 3.9Å; H1350-Y1384 AromaticContact NE2-CG 3.74Å; H1350-Y1384 PolarHBondContact O-N 3.42Å; E1352-Y1384 HydrophobicContact CB-CE2 3.89Å; E1352-Y1384 HydrophobicContact CG-CD2 4.22Å; E1352-Y1384 HydrophobicContact CG-CE2 3.63Å; E1352-Y1384 WeakPolarHBondContact OE2-CE2 3.29Å; E1352-Y1384 VanDerWaalsContact OE2-CZ 3.28Å; E1352-Y1384 PolarHBondContact OE2-OH 3.39Å; L1382-Y1384 HydrophobicContact CD2-CE2 4.47Å; Y1384-P1417 HydrophobicContact CE1-CB 4.1Å; Y1384-P1417 HydrophobicContact CE1-CG 4.09Å
1385Y94.8Very high87Confident14 Ų1450.6 Ų50.66%0.05527%0.27CS..EExtended strand (participates in β ladder)trans-115.8149.1-174.2-68.1-106.7000110.9Y1333 V1347 G1348 I1349 D1383 F1415 E1419 V1420 V1421Y1333-Y1385 HydrophobicContact CD1-CE1 4.18Å; Y1333-Y1385 HydrophobicContact CE1-CE1 4.41Å; V1347-Y1385 HydrophobicContact CG1-CD1 3.96Å; G1348-Y1385 WeakPolarHBondContact O-CA 3.33Å; I1349-Y1385 HydrophobicContact CD1-CD1 4.25Å; I1349-Y1385 HydrophobicContact CD1-CE1 3.47Å; I1349-Y1385 VanDerWaalsContact CD1-CE1 3.47Å; I1349-Y1385 WeakPolarHBondContact CD1-OH 3.31Å; I1349-Y1385 HydrophobicContact CG1-CD1 3.79Å; I1349-Y1385 HydrophobicContact CG1-CE1 3.54Å; I1349-Y1385 HydrophobicContact CG1-CE2 4.47Å; I1349-Y1385 HydrophobicContact CG1-CG 4.37Å; D1383-Y1385 HydrophobicContact CB-CE2 4.08Å; Y1385-F1415 WeakPolarHBondContact O-CD2 3.47Å; Y1385-F1415 PolarHBondContact O-N 2.8Å; Y1385-F1415 VanDerWaalsContact O-N 3.12Å; Y1385-E1419 VanDerWaalsContact CD2-O 3.3Å; Y1385-E1419 WeakPolarHBondContact CD2-O 3.01Å; Y1385-V1420 HydrophobicContact CE2-CB 4.31Å; Y1385-V1420 HydrophobicContact CE2-CG1 4.21Å; Y1385-V1420 HydrophobicContact CE2-CG2 4.19Å; Y1385-V1421 HydrophobicContact CD1-CB 3.75Å; Y1385-V1421 HydrophobicContact CD1-CG2 3.81Å; Y1385-V1421 HydrophobicContact CE1-CB 4.25Å; Y1385-V1421 HydrophobicContact CG-CB 4.38Å; Y1385-V1421 HydrophobicContact CG-CG2 3.99Å
1386S94.9Very high85.9Confident6 Ų641.5 Ų41.54%0.04223%0.233CC..EExtended strand (participates in β ladder)trans-145154.1170.160.70000110.5P1330 V1347 G1348 I1413P1330-S1386 VanDerWaalsContact CG-OG 3.27Å; P1330-S1386 WeakPolarHBondContact CG-OG 3.32Å; V1347-S1386 CarbonylContact C-O 3.55Å; V1347-S1386 WeakPolarHBondContact CA-O 3.36Å; G1348-S1386 PolarHBondContact N-O 2.58Å; G1348-S1386 PolarHBondContact O-N 3.37Å; S1386-I1413 CarbonylContact C-O 3.6Å; S1386-I1413 VanDerWaalsContact CA-O 3.27Å; S1386-I1413 WeakPolarHBondContact CA-O 3.47Å
1387L95.3Very high84.4Confident1 Ų142.6 Ų42.61%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-114.8131.6173.3171.366.9000109.1A1345 V1346 V1347 L1412 I1413 F1415 L1444 L1463 L1481A1345-L1387 HydrophobicContact CB-CD1 4.42Å; V1346-L1387 WeakPolarHBondContact O-CA 3.45Å; V1347-L1387 HydrophobicContact CG2-CB 4.46Å; V1347-L1387 HydrophobicContact CG2-CD1 3.93Å; L1387-L1412 WeakPolarHBondContact O-CA 3.3Å; L1387-I1413 HydrophobicContact CB-CB 4.4Å; L1387-I1413 PolarHBondContact N-O 2.94Å; L1387-I1413 PolarHBondContact O-N 3.4Å; L1387-F1415 HydrophobicContact CB-CE2 4.06Å; L1387-L1444 HydrophobicContact CD2-CD1 4.45Å; L1387-L1463 HydrophobicContact CD2-CD1 3.37Å; L1387-L1481 HydrophobicContact CD2-CD2 4.18Å
1388Q93.7Very high82.8Confident29 Ų2948 Ų4814%0.13626%0.261CS..EExtended strand (participates in β ladder)trans-135.5153.5175.9-62-176.217.500110.6V1346 Y1390 L1407 L1412V1346-Q1388 PolarHBondContact N-O 3.1Å; V1346-Q1388 PolarHBondContact O-N 3.23Å; Q1388-Y1390 HydrophobicContact CB-CE2 3.96Å; Q1388-Y1390 PolarHBondContact OE1-OH 3.13Å; Q1388-L1407 HydrophobicContact CB-CD1 4.19Å; Q1388-L1412 HydrophobicContact CG-CD1 3.7Å
1389M93.8Very high81.2Confident3 Ų355 Ų552%0.01528%0.282CS..EExtended strand (participates in β ladder)trans-108.3139.9175.1-60-68.9-64.500111.1T1343 A1345 I1408 T1411 L1442 V1465 L1481T1343-M1389 VanDerWaalsContact OG1-CE 3.29Å; T1343-M1389 WeakPolarHBondContact OG1-CE 3.23Å; A1345-M1389 HydrophobicContact CB-CE 4.2Å; A1345-M1389 HydrophobicContact CB-SD 3.54Å; A1345-M1389 VanDerWaalsContact CB-SD 3.54Å; M1389-I1408 HydrophobicContact CB-CB 4.19Å; M1389-I1408 HydrophobicContact CB-CD1 4.02Å; M1389-I1408 HydrophobicContact CB-CG1 4.4Å; M1389-I1408 WeakPolarHBondContact O-CB 3.13Å; M1389-I1408 PolarHBondContact O-N 2.76Å; M1389-T1411 HydrophobicContact CB-CG2 4.01Å; M1389-T1411 WeakPolarHBondContact CB-OG1 3.29Å; M1389-T1411 HydrophobicContact CG-CG2 4.07Å; M1389-T1411 PolarHBondContact N-OG1 2.7Å; M1389-L1442 HydrophobicContact CE-CD1 4.32Å; M1389-L1442 HydrophobicContact SD-CD1 4.19Å; M1389-V1465 HydrophobicContact CE-CG1 4.21Å; M1389-V1465 HydrophobicContact CE-CG2 3.86Å; M1389-L1481 HydrophobicContact CG-CD1 4.23Å; M1389-L1481 HydrophobicContact SD-CD1 4.16Å
1390Y93Very high79.6Confident15 Ų1556 Ų566%0.05929%0.288CS..EExtended strand (participates in β ladder)trans-126.9145178.5-63.6-90000112L1328 T1343 Y1344 V1346 Q1388 W1405 L1406 L1407L1328-Y1390 HydrophobicContact CD1-CE2 4.07Å; L1328-Y1390 HydrophobicContact CD2-CD1 4.39Å; L1328-Y1390 HydrophobicContact CD2-CE1 3.88Å; T1343-Y1390 WeakPolarHBondContact CB-O 3.21Å; Y1344-Y1390 PolarHBondContact N-O 2.61Å; Y1344-Y1390 PolarHBondContact O-N 3.23Å; V1346-Y1390 HydrophobicContact CB-CD2 4.01Å; V1346-Y1390 HydrophobicContact CB-CE2 3.83Å; V1346-Y1390 HydrophobicContact CG1-CE2 4.37Å; V1346-Y1390 HydrophobicContact CG2-CD2 3.63Å; V1346-Y1390 HydrophobicContact CG2-CE2 3.9Å; Q1388-Y1390 HydrophobicContact CB-CE2 3.96Å; Q1388-Y1390 PolarHBondContact OE1-OH 3.13Å; Y1390-W1405 HydrophobicContact CD1-CB 4.31Å; Y1390-W1405 HydrophobicContact CG-CE3 4.27Å; Y1390-L1406 WeakPolarHBondContact CA-O 3.01Å; Y1390-L1407 HydrophobicContact CD1-CB 4.47Å; Y1390-L1407 HydrophobicContact CD1-CD1 4.4Å; Y1390-L1407 HydrophobicContact CE1-CB 4.28Å; Y1390-L1407 HydrophobicContact CE1-CD1 3.86Å
1391A89.5Confident78.3Confident12 Ų1262 Ų6210%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-110.9146.6170.600000110.8W1405 L1406 I1408 L1476A1391-W1405 CarbonylContact O-C 3.27Å; A1391-W1405 WeakPolarHBondContact O-CA 3.37Å; A1391-L1406 PolarHBondContact N-O 3.24Å; A1391-L1406 PolarHBondContact O-N 3.08Å; A1391-I1408 HydrophobicContact CB-CD1 4.09Å; A1391-I1408 HydrophobicContact CB-CG1 4.12Å; A1391-L1476 HydrophobicContact CB-CD2 3.85Å
1392P84.3Confident77.4Confident34 Ų3462 Ų6222%0.22130%0.298CS..EExtended strand (participates in β ladder)trans-71.2137.7176.326.8-32.1000113P548 Y1344 L1394P548-P1392 HydrophobicContact CB-CB 3.78Å; P548-P1392 HydrophobicContact CB-CG 4.08Å; P548-P1392 HydrophobicContact CG-CB 3.19Å; P548-P1392 HydrophobicContact CG-CG 3.74Å; Y1344-P1392 HydrophobicContact CE2-CB 4.17Å; Y1344-P1392 HydrophobicContact CE2-CG 4.3Å; P1392-L1394 PolarHBondContact O-N 3.47Å
1393N79.3Confident76.8Confident21 Ų2164.4 Ų64.411%0.11232%0.315CS..  trans-88.199.7177.2-168.2-8.6000111.9N1395 A1396 Q1402 P1403 P1404 L1406N1393-N1395 PolarHBondContact O-N 3.36Å; N1393-N1395 PolarHBondContact OD1-N 3.43Å; N1393-A1396 HydrophobicContact CB-CB 4Å; N1393-A1396 PolarHBondContact O-N 3.21Å; N1393-A1396 PolarHBondContact OD1-N 3.25Å; N1393-Q1402 PolarHBondContact ND2-OE1 2.91Å; N1393-P1403 WeakPolarHBondContact CB-O 3.14Å; N1393-P1403 PolarHBondContact ND2-O 2.64Å; N1393-P1404 VanDerWaalsContact CB-O 3.3Å; N1393-P1404 WeakPolarHBondContact CB-O 3.43Å; N1393-P1404 PolarHBondContact N-O 3.41Å; N1393-L1406 HydrophobicContact CB-CD1 3.93Å; N1393-L1406 HydrophobicContact CB-CG 4.01Å
1394L69.1Low76.3Confident98 Ų9863 Ų6351%0.51331%0.31SS..THydrogen-bonded Turntrans-65.5-19.3176.1-64.1170000113.7P548 R606 P1392P548-L1394 HydrophobicContact CB-CD2 3.6Å; R606-L1394 PolarHBondContact NH2-O 2.95Å; P1392-L1394 PolarHBondContact O-N 3.47Å
1395N64Low75.9Confident113 Ų11360.9 Ų60.960%0.60430%0.301SS*.THydrogen-bonded Turntrans-100.86.5-176.1-66.5-17.6000113.4N1393 N1397N1393-N1395 PolarHBondContact O-N 3.36Å; N1393-N1395 PolarHBondContact OD1-N 3.43Å; N1395-N1397 VanDerWaalsContact C-N 3.3Å; N1395-N1397 PolarHBondContact O-N 3.31Å
1396A59.7Low75.7Confident14 Ų1462.3 Ų62.312%0.11631%0.309CS..  trans-72.276.8179.200000112.6P1313 N1393P1313-A1396 WeakPolarHBondContact CB-O 3.23Å; P1313-A1396 WeakPolarHBondContact CG-O 3.03Å; N1393-A1396 HydrophobicContact CB-CB 4Å; N1393-A1396 PolarHBondContact O-N 3.21Å; N1393-A1396 PolarHBondContact OD1-N 3.25Å
1397N54.7Low75.4Confident76 Ų7666.3 Ų66.341%0.40633%0.33SS..  trans-92.8145.9169.4-62.5-10.6000109.9R606 N1395 R1399 N1400R606-N1397 PolarHBondContact NH1-OD1 2.9Å; N1395-N1397 VanDerWaalsContact C-N 3.3Å; N1395-N1397 PolarHBondContact O-N 3.31Å; N1397-R1399 PolarHBondContact O-N 3.27Å; N1397-N1400 PolarHBondContact O-N 3.27Å
1398H51.6Low75.3Confident126 Ų12666.4 Ų66.458%0.58333%0.33SS*.THydrogen-bonded Turntrans-49.5-29.9-174.4-80.8-105.2000115.9P1313 G1314 N1400P1313-H1398 WeakPolarHBondContact CA-NE2 3.42Å; P1313-H1398 VanDerWaalsContact CB-CD2 3.42Å; P1313-H1398 WeakPolarHBondContact CB-CD2 3.19Å; G1314-H1398 PolarHBondContact N-NE2 3.31Å; H1398-N1400 VanDerWaalsContact C-N 3.34Å
1399R52.5Low75Confident194 Ų19466.8 Ų66.873%0.73234%0.336SS*.THydrogen-bonded Turntrans-71.8-24.8178.9-64.7-174.7179.4-169.9-2.3113.8H1294 N1397H1294-R1399 PolarHBondContact CD2-NH2 3.17Å; H1294-R1399 VanDerWaalsContact CD2-NH2 3.26Å; H1294-R1399 PolarHBondContact NE2-NH2 3.06Å; N1397-R1399 PolarHBondContact O-N 3.27Å
1400N54Low74.7Confident89 Ų8972.4 Ų72.448%0.47637%0.365SS..SBendtrans-96.8113.3175.3-67.8-7.1000108.3N1397 H1398 Q1402N1397-N1400 PolarHBondContact O-N 3.27Å; H1398-N1400 VanDerWaalsContact C-N 3.34Å; N1400-Q1402 PolarHBondContact O-N 3.49Å
1401K61.7Low74.6Confident209 Ų20971.9 Ų71.991%0.90936%0.364SS*.  trans-68.532.5176.6-63.7-173.8177.5-178.10113.8
1402Q67.8Low74.8Confident105 Ų10575.6 Ų75.649%0.49138%0.382SS..  trans-83.1147.9176.3-72.4-170.2-9.600111.5N1393 N1400N1393-Q1402 PolarHBondContact ND2-OE1 2.91Å; N1400-Q1402 PolarHBondContact O-N 3.49Å
1403P76Confident75.3Confident74 Ų7475.7 Ų75.748%0.48138%0.38SS..  trans-67.5151.8177.330-36.1000111.8N1393 W1405 L1406N1393-P1403 WeakPolarHBondContact CB-O 3.14Å; N1393-P1403 PolarHBondContact ND2-O 2.64Å; P1403-W1405 VanDerWaalsContact C-N 3.3Å; P1403-W1405 WeakPolarHBondContact CB-O 3.37Å; P1403-W1405 WeakPolarHBondContact CG-O 3.39Å; P1403-W1405 PolarHBondContact O-N 3.34Å; P1403-L1406 HydrophobicContact CG-CD2 4.22Å
1404P79.1Confident75.9Confident36 Ų3681.7 Ų81.723%0.23441%0.407CS..SBendtrans-73.3-22.5-178.830.6-36000113.2I1326 N1393I1326-P1404 HydrophobicContact CD1-CG 4.14Å; I1326-P1404 HydrophobicContact CG1-CG 3.91Å; I1326-P1404 HydrophobicContact CG2-CG 4.27Å; N1393-P1404 VanDerWaalsContact CB-O 3.3Å; N1393-P1404 WeakPolarHBondContact CB-O 3.43Å; N1393-P1404 PolarHBondContact N-O 3.41Å
1405W86.2Confident77.1Confident10 Ų1077.8 Ų77.84%0.03839%0.386CS..EExtended strand (participates in β ladder)trans-116.9138168.4-75.8-1.1000108.4M575 V596 L598 I1326 L1328 V1335 Y1344 V1346 Y1390 A1391 P1403M575-W1405 HydrophobicContact SD-CH2 4.16Å; M575-W1405 HydrophobicContact SD-CZ2 4.06Å; V596-W1405 HydrophobicContact CB-CH2 4.03Å; V596-W1405 HydrophobicContact CB-CZ3 4.26Å; V596-W1405 HydrophobicContact CG1-CH2 3.9Å; V596-W1405 HydrophobicContact CG2-CH2 3.99Å; V596-W1405 HydrophobicContact CG2-CZ3 3.82Å; L598-W1405 HydrophobicContact CD2-CZ2 4.23Å; I1326-W1405 HydrophobicContact CD1-CD2 3.69Å; I1326-W1405 VanDerWaalsContact CD1-CE2 3.4Å; I1326-W1405 HydrophobicContact CD1-CE3 4.42Å; I1326-W1405 HydrophobicContact CD1-CG 3.87Å; I1326-W1405 HydrophobicContact CD1-CZ2 3.91Å; I1326-W1405 HydrophobicContact CG2-CB 4.49Å; I1326-W1405 HydrophobicContact CG2-CD2 4.1Å; I1326-W1405 HydrophobicContact CG2-CE3 4.05Å; I1326-W1405 HydrophobicContact CG2-CG 4.32Å; L1328-W1405 HydrophobicContact CD1-CE3 4Å; L1328-W1405 HydrophobicContact CD1-CZ3 3.97Å; L1328-W1405 HydrophobicContact CD2-CE3 4.36Å; V1335-W1405 HydrophobicContact CG1-CH2 4.22Å; Y1344-W1405 AromaticContact CD1-CH2 3.65Å; Y1344-W1405 HydrophobicContact CD1-CH2 3.65Å; Y1344-W1405 AromaticContact CD1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CD1-CZ2 3.42Å; Y1344-W1405 VanDerWaalsContact CD1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CD2-CD2 4.21Å; Y1344-W1405 AromaticContact CD2-CE2 3.73Å; Y1344-W1405 HydrophobicContact CD2-CH2 4.36Å; Y1344-W1405 AromaticContact CD2-CZ2 3.85Å; Y1344-W1405 HydrophobicContact CD2-CZ2 3.85Å; Y1344-W1405 AromaticContact CD2-NE1 3.92Å; Y1344-W1405 HydrophobicContact CE1-CH2 4.11Å; Y1344-W1405 AromaticContact CE1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CE1-CZ2 3.42Å; Y1344-W1405 VanDerWaalsContact CE1-CZ2 3.42Å; Y1344-W1405 HydrophobicContact CE2-CD2 4.45Å; Y1344-W1405 AromaticContact CE2-CE2 3.64Å; Y1344-W1405 AromaticContact CE2-CZ2 3.86Å; Y1344-W1405 HydrophobicContact CE2-CZ2 3.86Å; Y1344-W1405 AromaticContact CE2-NE1 3.42Å; Y1344-W1405 AromaticContact CG-CE2 3.99Å; Y1344-W1405 AromaticContact CG-CH2 3.79Å; Y1344-W1405 HydrophobicContact CG-CH2 3.79Å; Y1344-W1405 AromaticContact CG-CZ2 3.63Å; Y1344-W1405 HydrophobicContact CG-CZ2 3.63Å; Y1344-W1405 HydrophobicContact CG-CZ3 4.3Å; Y1344-W1405 AromaticContact CZ-CE2 3.8Å; Y1344-W1405 AromaticContact CZ-CZ2 3.63Å; Y1344-W1405 AromaticContact CZ-NE1 3.64Å; V1346-W1405 HydrophobicContact CG2-CZ3 4.02Å; Y1390-W1405 HydrophobicContact CD1-CB 4.31Å; Y1390-W1405 HydrophobicContact CG-CE3 4.27Å; A1391-W1405 CarbonylContact O-C 3.27Å; A1391-W1405 WeakPolarHBondContact O-CA 3.37Å; P1403-W1405 VanDerWaalsContact C-N 3.3Å; P1403-W1405 WeakPolarHBondContact CB-O 3.37Å; P1403-W1405 WeakPolarHBondContact CG-O 3.39Å; P1403-W1405 PolarHBondContact O-N 3.34Å
1406L88.9Confident78.4Confident43 Ų4377.2 Ų77.223%0.22538%0.38CS..EExtended strand (participates in β ladder)trans-105.8132.5178.2-66.6163.6000109Y1390 A1391 N1393 P1403 L1476Y1390-L1406 WeakPolarHBondContact CA-O 3.01Å; A1391-L1406 PolarHBondContact N-O 3.24Å; A1391-L1406 PolarHBondContact O-N 3.08Å; N1393-L1406 HydrophobicContact CB-CD1 3.93Å; N1393-L1406 HydrophobicContact CB-CG 4.01Å; P1403-L1406 HydrophobicContact CG-CD2 4.22Å; L1406-L1476 HydrophobicContact CB-CD1 3.76Å; L1406-L1476 HydrophobicContact CB-CD2 4.08Å; L1406-L1476 HydrophobicContact CD1-CD1 4.25Å; L1406-L1476 HydrophobicContact CD1-CD2 4.17Å; L1406-L1476 HydrophobicContact CG-CD1 4.49Å
1407L89.7Confident79.8Confident91 Ų9179.9 Ų79.948%0.47640%0.396SS..EExtended strand (participates in β ladder)trans-62.5134.2173.1-176.670.8000109.8Q1388 Y1390 P1409Q1388-L1407 HydrophobicContact CB-CD1 4.19Å; Y1390-L1407 HydrophobicContact CD1-CB 4.47Å; Y1390-L1407 HydrophobicContact CD1-CD1 4.4Å; Y1390-L1407 HydrophobicContact CE1-CB 4.28Å; Y1390-L1407 HydrophobicContact CE1-CD1 3.86Å; L1407-P1409 WeakPolarHBondContact O-CD 3.3Å
1408I91.9Very high81.6Confident2 Ų278.7 Ų78.71%0.0139%0.386CS..  trans-87.9115.7172.3-57.9-178.6000108.3T1343 M1389 A1391 T1411 H1479T1343-I1408 HydrophobicContact CG2-CD1 3.63Å; M1389-I1408 HydrophobicContact CB-CB 4.19Å; M1389-I1408 HydrophobicContact CB-CD1 4.02Å; M1389-I1408 HydrophobicContact CB-CG1 4.4Å; M1389-I1408 WeakPolarHBondContact O-CB 3.13Å; M1389-I1408 PolarHBondContact O-N 2.76Å; A1391-I1408 HydrophobicContact CB-CD1 4.09Å; A1391-I1408 HydrophobicContact CB-CG1 4.12Å; I1408-T1411 HydrophobicContact CB-CG2 3.99Å; I1408-T1411 HydrophobicContact CG2-CG2 3.6Å; I1408-T1411 PolarHBondContact O-OG1 3.03Å; I1408-H1479 HydrophobicContact CD1-CB 4.27Å; I1408-H1479 VanDerWaalsContact CG2-O 3.32Å; I1408-H1479 WeakPolarHBondContact CG2-O 3.13Å
1409P88.4Confident83.6Confident38 Ų3872.8 Ų72.825%0.24736%0.358CS..THydrogen-bonded Turntrans-58.7152.3-178.1-22.933.7000112.4L1407 T1411 T1477L1407-P1409 WeakPolarHBondContact O-CD 3.3Å; P1409-T1411 VanDerWaalsContact C-N 3.28Å; P1409-T1411 PolarHBondContact O-N 3.22Å; P1409-T1477 HydrophobicContact CB-CG2 4.14Å; P1409-T1477 HydrophobicContact CG-CG2 4.01Å
1410N87.3Confident85.5Confident120 Ų12065.8 Ų65.864%0.64234%0.337SS*.THydrogen-bonded Turntrans60.230176-52.9-38000114.8
1411T91.4Very high87.5Confident5 Ų561.6 Ų61.63%0.03132%0.315CS..  trans-116.81.1176.964.60000115.4M1389 I1408 P1409 L1481M1389-T1411 HydrophobicContact CB-CG2 4.01Å; M1389-T1411 WeakPolarHBondContact CB-OG1 3.29Å; M1389-T1411 HydrophobicContact CG-CG2 4.07Å; M1389-T1411 PolarHBondContact N-OG1 2.7Å; I1408-T1411 HydrophobicContact CB-CG2 3.99Å; I1408-T1411 HydrophobicContact CG2-CG2 3.6Å; I1408-T1411 PolarHBondContact O-OG1 3.03Å; P1409-T1411 VanDerWaalsContact C-N 3.28Å; P1409-T1411 PolarHBondContact O-N 3.22Å; T1411-L1481 HydrophobicContact CG2-CB 4.4Å
1412L92.9Very high89.1Confident89 Ų8952.9 Ų52.947%0.46628%0.279SS..  trans-67.1131.7177.7176.263000111.5L1387 Q1388 E1414L1387-L1412 WeakPolarHBondContact O-CA 3.3Å; Q1388-L1412 HydrophobicContact CG-CD1 3.7Å; L1412-E1414 HydrophobicContact CD1-CG 4.09Å; L1412-E1414 HydrophobicContact CD2-CG 4.25Å; L1412-E1414 HydrophobicContact CG-CG 4.13Å
1413I94.2Very high90.3Very high36 Ų3648.7 Ų48.719%0.18526%0.261CS..EExtended strand (participates in β ladder)trans-125.5126.4162.3-64.1179.9000107.9S1386 L1387 L1463 L1481 I1483S1386-I1413 CarbonylContact C-O 3.6Å; S1386-I1413 VanDerWaalsContact CA-O 3.27Å; S1386-I1413 WeakPolarHBondContact CA-O 3.47Å; L1387-I1413 HydrophobicContact CB-CB 4.4Å; L1387-I1413 PolarHBondContact N-O 2.94Å; L1387-I1413 PolarHBondContact O-N 3.4Å; I1413-L1463 HydrophobicContact CD1-CD2 3.97Å; I1413-L1481 HydrophobicContact CD1-CD2 3.67Å; I1413-L1481 HydrophobicContact CG1-CD2 4.19Å; I1413-I1483 HydrophobicContact CD1-CD1 4.19Å; I1413-I1483 HydrophobicContact CD1-CG1 4.22Å
1414E93.6Very high91.2Very high147 Ų14745.6 Ų45.669%0.68724%0.24SC*.EExtended strand (participates in β ladder)trans-99.1145.8173.1-64178.2162.100109.8L1412L1412-E1414 HydrophobicContact CD1-CG 4.09Å; L1412-E1414 HydrophobicContact CD2-CG 4.25Å; L1412-E1414 HydrophobicContact CG-CG 4.13Å
1415F94.4Very high91.9Very high17 Ų1745.5 Ų45.58%0.07524%0.238CC..PPolyproline II helixtrans-102.8159.3179.8-68.3-90.6000111.3Y1385 L1387 E1419 V1421 L1444 A1446 L1461Y1385-F1415 WeakPolarHBondContact O-CD2 3.47Å; Y1385-F1415 PolarHBondContact O-N 2.8Å; Y1385-F1415 VanDerWaalsContact O-N 3.12Å; L1387-F1415 HydrophobicContact CB-CE2 4.06Å; F1415-E1419 HydrophobicContact CB-CB 4.29Å; F1415-E1419 HydrophobicContact CB-CG 4.29Å; F1415-E1419 HydrophobicContact CD1-CG 4.22Å; F1415-V1421 HydrophobicContact CD1-CG2 4.18Å; F1415-V1421 HydrophobicContact CD2-CG2 4.07Å; F1415-V1421 HydrophobicContact CE1-CG2 4.03Å; F1415-V1421 HydrophobicContact CE2-CG2 3.93Å; F1415-V1421 HydrophobicContact CG-CG2 4.2Å; F1415-V1421 HydrophobicContact CZ-CG2 3.92Å; F1415-L1444 HydrophobicContact CE1-CD1 4.5Å; F1415-L1444 HydrophobicContact CE1-CD2 3.57Å; F1415-L1444 HydrophobicContact CE2-CD1 4.49Å; F1415-L1444 HydrophobicContact CZ-CD1 3.71Å; F1415-L1444 HydrophobicContact CZ-CD2 3.64Å; F1415-L1444 HydrophobicContact CZ-CG 4.37Å; F1415-A1446 HydrophobicContact CD1-CB 4.4Å; F1415-A1446 HydrophobicContact CE1-CB 4.38Å; F1415-L1461 HydrophobicContact CE1-CD1 3.71Å; F1415-L1461 HydrophobicContact CZ-CD1 4.38Å
1416E91.3Very high92.3Very high101 Ų10146.5 Ų46.547%0.47225%0.245SC..PPolyproline II helixtrans-68.2155.2-177.3-69-170.7-176.400112.8W1418 E1419 L1448E1416-W1418 PolarHBondContact O-N 2.78Å; E1416-E1419 HydrophobicContact CB-CB 4.08Å; E1416-E1419 PolarHBondContact N-OE2 2.85Å; E1416-E1419 WeakPolarHBondContact O-CB 3.34Å; E1416-E1419 PolarHBondContact O-N 2.89Å; E1416-L1448 HydrophobicContact CB-CD2 4.42Å; E1416-L1448 WeakPolarHBondContact OE2-CD2 3.39Å
1417P89Confident92.5Very high69 Ų6944.4 Ų44.445%0.44823%0.234SC..THydrogen-bonded Turntrans-55.1134.3169.2-21.832.3000110.8Y1384 E1419Y1384-P1417 HydrophobicContact CE1-CB 4.1Å; Y1384-P1417 HydrophobicContact CE1-CG 4.09Å; P1417-E1419 PolarHBondContact O-N 3.14Å
1418W91Very high92.7Very high52 Ų5245 Ų4520%0.19723%0.234CC..THydrogen-bonded Turntrans69.15.1-172.1-4684.7000115.9C1354 F1358 L1382 E1416 L1448 T1449 Y1450C1354-W1418 WeakPolarHBondContact SG-CZ2 3.42Å; F1358-W1418 AromaticContact CD2-NE1 3.99Å; F1358-W1418 AromaticContact CE2-CD1 3.95Å; F1358-W1418 AromaticContact CE2-NE1 3.57Å; L1382-W1418 HydrophobicContact CD1-CD2 3.76Å; L1382-W1418 HydrophobicContact CD1-CE3 3.66Å; L1382-W1418 HydrophobicContact CD1-CG 4.24Å; L1382-W1418 HydrophobicContact CD1-CH2 4.5Å; L1382-W1418 HydrophobicContact CD1-CZ3 4.05Å; L1382-W1418 HydrophobicContact CD2-CD2 4.18Å; L1382-W1418 HydrophobicContact CD2-CG 4.39Å; L1382-W1418 HydrophobicContact CD2-CZ2 4.36Å; E1416-W1418 PolarHBondContact O-N 2.78Å; W1418-L1448 WeakPolarHBondContact O-CA 3.3Å; W1418-T1449 PolarHBondContact O-N 2.91Å; W1418-Y1450 HydrophobicContact CB-CD1 3.91Å; W1418-Y1450 HydrophobicContact CB-CE1 3.92Å; W1418-Y1450 AromaticContact CD1-CD1 3.95Å; W1418-Y1450 AromaticContact CD1-CE1 3.97Å; W1418-Y1450 HydrophobicContact CD2-CD1 4.39Å; W1418-Y1450 AromaticContact CG-CD1 3.82Å; W1418-Y1450 HydrophobicContact CG-CD1 3.82Å; W1418-Y1450 HydrophobicContact CG-CE1 4.06Å
1419E93.5Very high92.8Very high1 Ų145 Ų451%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-86.1109.8172.2-172.3171-151.500111.1Y1385 F1415 E1416 P1417 A1446 L1448 R1459Y1385-E1419 VanDerWaalsContact CD2-O 3.3Å; Y1385-E1419 WeakPolarHBondContact CD2-O 3.01Å; F1415-E1419 HydrophobicContact CB-CB 4.29Å; F1415-E1419 HydrophobicContact CB-CG 4.29Å; F1415-E1419 HydrophobicContact CD1-CG 4.22Å; E1416-E1419 HydrophobicContact CB-CB 4.08Å; E1416-E1419 PolarHBondContact N-OE2 2.85Å; E1416-E1419 WeakPolarHBondContact O-CB 3.34Å; E1416-E1419 PolarHBondContact O-N 2.89Å; P1417-E1419 PolarHBondContact O-N 3.14Å; E1419-A1446 HydrophobicContact CG-CB 3.77Å; E1419-L1448 HydrophobicContact CB-CG 4.13Å; E1419-L1448 HydrophobicContact CG-CG 4.19Å; E1419-R1459 WeakPolarHBondContact OE1-CD 3.34Å; E1419-R1459 IonicContact OE1-CZ 3.92Å; E1419-R1459 IonicContact OE1-NE 3.16Å; E1419-R1459 IonicContact OE1-NH1 2.82Å; E1419-R1459 PolarHBondContact OE1-NH1 2.86Å; E1419-R1459 VanDerWaalsContact OE1-NH1 3.13Å; E1419-R1459 IonicContact OE2-NH1 3.63Å; E1419-R1459 PolarHBondContact OE2-NH1 3.13Å
1420V94.3Very high93Very high48 Ų4845.2 Ų45.229%0.29124%0.24SC..EExtended strand (participates in β ladder)trans-101.8120.6-176.8177.20000110.5Y1385 T1422 A1446 N1447Y1385-V1420 HydrophobicContact CE2-CB 4.31Å; Y1385-V1420 HydrophobicContact CE2-CG1 4.21Å; Y1385-V1420 HydrophobicContact CE2-CG2 4.19Å; V1420-T1422 PolarHBondContact O-N 2.81Å; V1420-A1446 CarbonylContact O-C 3.56Å; V1420-A1446 VanDerWaalsContact O-CA 3.28Å; V1420-A1446 WeakPolarHBondContact O-CA 3.41Å; V1420-N1447 PolarHBondContact N-O 3.25Å; V1420-N1447 PolarHBondContact O-N 2.63Å
1421V95.4Very high93Very high0 Ų040.3 Ų40.30%022%0.215CC..EExtended strand (participates in β ladder)trans-74.1122.9175.1-178.30000110.2Y1334 V1347 Y1385 F1415 L1444 A1446Y1334-V1421 HydrophobicContact CD2-CG1 4.21Å; Y1334-V1421 HydrophobicContact CE2-CG1 4.23Å; V1347-V1421 HydrophobicContact CG1-CB 4.17Å; V1347-V1421 HydrophobicContact CG1-CG1 4.25Å; V1347-V1421 HydrophobicContact CG1-CG2 4.16Å; V1347-V1421 HydrophobicContact CG2-CG1 4.39Å; Y1385-V1421 HydrophobicContact CD1-CB 3.75Å; Y1385-V1421 HydrophobicContact CD1-CG2 3.81Å; Y1385-V1421 HydrophobicContact CE1-CB 4.25Å; Y1385-V1421 HydrophobicContact CG-CB 4.38Å; Y1385-V1421 HydrophobicContact CG-CG2 3.99Å; F1415-V1421 HydrophobicContact CD1-CG2 4.18Å; F1415-V1421 HydrophobicContact CD2-CG2 4.07Å; F1415-V1421 HydrophobicContact CE1-CG2 4.03Å; F1415-V1421 HydrophobicContact CE2-CG2 3.93Å; F1415-V1421 HydrophobicContact CG-CG2 4.2Å; F1415-V1421 HydrophobicContact CZ-CG2 3.92Å; V1421-L1444 HydrophobicContact CG1-CD1 3.9Å; V1421-L1444 HydrophobicContact CG1-CD2 4.12Å; V1421-L1444 HydrophobicContact CG1-CG 3.88Å; V1421-L1444 HydrophobicContact CG2-CD2 4.37Å; V1421-A1446 HydrophobicContact CG2-CB 4.38Å
1422T93.8Very high92.7Very high26 Ų2649.9 Ų49.916%0.1626%0.259CS..EExtended strand (participates in β ladder)trans-104.3-20.8-176.1570000114.7Y1334 V1420 G1445 N1447 V1493Y1334-T1422 PolarHBondContact OH-O 3.43Å; V1420-T1422 PolarHBondContact O-N 2.81Å; T1422-G1445 PolarHBondContact N-O 3.25Å; T1422-G1445 PolarHBondContact OG1-O 2.63Å; T1422-N1447 WeakPolarHBondContact CG2-ND2 3.09Å; T1422-V1493 PolarHBondContact OG1-O 3.02Å
1423C93.5Very high92.1Very high17 Ų1751.6 Ų51.612%0.11527%0.265CS..EExtended strand (participates in β ladder)trans-162.4144.7178.450.10000112.3L1444 G1445C1423-L1444 WeakPolarHBondContact O-CA 3.15Å; C1423-G1445 PolarHBondContact N-O 3.44Å; C1423-G1445 PolarHBondContact O-N 2.66Å
1424L94.6Very high91.6Very high9 Ų952 Ų525%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-130.1127.7169.117365.7000107.7Y1334 Q1336 A1345 V1347 L1442 L1444Y1334-L1424 HydrophobicContact CD2-CB 4.46Å; Q1336-L1424 HydrophobicContact CB-CD2 3.68Å; Q1336-L1424 HydrophobicContact CB-CG 3.92Å; A1345-L1424 HydrophobicContact CB-CD2 4.29Å; V1347-L1424 HydrophobicContact CG2-CD2 4.17Å; L1424-L1442 HydrophobicContact CD1-CD2 4.42Å; L1424-L1444 HydrophobicContact CD1-CB 4.38Å; L1424-L1444 HydrophobicContact CD1-CD1 4.37Å
1425I94.6Very high90.9Very high34 Ų3451.9 Ų51.917%0.17427%0.266CS..EExtended strand (participates in β ladder)trans-138.8158.8177.963.3163.5000111.6A1427 L1442 A1443 L1496I1425-A1427 HydrophobicContact CD1-CB 3.96Å; I1425-A1427 HydrophobicContact CG1-CB 4.37Å; I1425-L1442 WeakPolarHBondContact O-CA 3.1Å; I1425-A1443 HydrophobicContact CD1-CB 4.42Å; I1425-A1443 HydrophobicContact CG1-CB 3.98Å; I1425-A1443 PolarHBondContact N-O 2.86Å; I1425-A1443 PolarHBondContact O-N 3.2Å; I1425-L1496 HydrophobicContact CD1-CB 3.65Å; I1425-L1496 HydrophobicContact CG1-CB 4.1Å
1426T94.2Very high90Very high31 Ų3159.1 Ų59.119%0.1930%0.3CS..EExtended strand (participates in β ladder)trans-86.6127.8154.7-50.50000108.5Q1336 D1440 Y1441Q1336-T1426 PolarHBondContact NE2-OG1 3Å; T1426-D1440 HydrophobicContact CG2-CB 3.73Å; T1426-D1440 WeakPolarHBondContact CG2-OD2 3.36Å; T1426-Y1441 CarbonylContact C-O 3.59Å; T1426-Y1441 WeakPolarHBondContact CA-O 3.02Å
1427A94.3Very high89.8Confident0 Ų056.1 Ų56.10%030%0.296CS..EExtended strand (participates in β ladder)trans-121.4121.1-175.500000110.5I1425 L1429 Y1441 A1443 L1503I1425-A1427 HydrophobicContact CD1-CB 3.96Å; I1425-A1427 HydrophobicContact CG1-CB 4.37Å; A1427-L1429 HydrophobicContact CB-CD2 4.18Å; A1427-L1429 HydrophobicContact CB-CG 4.28Å; A1427-L1429 PolarHBondContact O-N 3.23Å; A1427-Y1441 PolarHBondContact N-O 3.38Å; A1427-Y1441 PolarHBondContact O-N 3.16Å; A1427-A1443 HydrophobicContact CB-CB 3.95Å; A1427-L1503 HydrophobicContact CB-CD1 4.16Å
1428Q93.5Very high89.8Confident102 Ų10255.1 Ų55.148%0.47729%0.289SS..EExtended strand (participates in β ladder)trans-83.7101.4178.1-41.1-153.3-80.800109.1D1440 S1498 G1501Q1428-D1440 WeakPolarHBondContact CG-OD1 3.48Å; Q1428-D1440 PolarHBondContact NE2-OD1 2.83Å; Q1428-S1498 PolarHBondContact N-OG 3.22Å; Q1428-S1498 VanDerWaalsContact N-OG 3.1Å; Q1428-G1501 WeakPolarHBondContact O-CA 3.32Å
1429L93.8Very high89.9Confident2 Ų253.9 Ų53.91%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-109.2149.3-175.9-52.3-178.3000111.1A1427 S1431 T1438 K1439 Y1441 I1462 G1501 L1503 L1516A1427-L1429 HydrophobicContact CB-CD2 4.18Å; A1427-L1429 HydrophobicContact CB-CG 4.28Å; A1427-L1429 PolarHBondContact O-N 3.23Å; L1429-S1431 PolarHBondContact O-N 3.28Å; L1429-T1438 CarbonylContact O-C 3.46Å; L1429-T1438 WeakPolarHBondContact O-CA 3.3Å; L1429-K1439 PolarHBondContact N-O 2.83Å; L1429-K1439 PolarHBondContact O-N 2.9Å; L1429-Y1441 HydrophobicContact CB-CD2 3.76Å; L1429-Y1441 HydrophobicContact CB-CE2 3.93Å; L1429-Y1441 HydrophobicContact CD1-CD2 3.88Å; L1429-Y1441 HydrophobicContact CG-CD2 3.94Å; L1429-I1462 HydrophobicContact CD1-CD1 4.13Å; L1429-I1462 HydrophobicContact CD1-CG2 4.38Å; L1429-G1501 WeakPolarHBondContact CA-O 3.38Å; L1429-L1503 HydrophobicContact CD2-CB 3.78Å; L1429-L1503 HydrophobicContact CD2-CD1 4.37Å; L1429-L1516 HydrophobicContact CD1-CB 4.43Å; L1429-L1516 HydrophobicContact CD1-CD2 4.06Å
1430A91.6Very high89.8Confident44 Ų4455 Ų5536%0.36429%0.291SS..EExtended strand (participates in β ladder)trans-62.3127.1178.800000110.3G1437 G1501A1430-G1437 WeakPolarHBondContact CA-O 3.46Å; A1430-G1501 PolarHBondContact N-O 2.77Å
1431S88.8Confident89.8Confident17 Ų1753.2 Ų53.212%0.11928%0.279CS..  trans-146.8133.8-179.6-177.40000110.7L1429 E1433 G1437 Y1441L1429-S1431 PolarHBondContact O-N 3.28Å; S1431-E1433 PolarHBondContact O-N 3.05Å; S1431-E1433 WeakPolarHBondContact OG-CB 3.26Å; S1431-E1433 WeakPolarHBondContact OG-CG 3.29Å; S1431-E1433 PolarHBondContact OG-N 2.69Å; S1431-G1437 PolarHBondContact N-O 3.44Å; S1431-G1437 CarbonylContact O-C 3.59Å; S1431-G1437 WeakPolarHBondContact O-CA 3.13Å; S1431-Y1441 PolarHBondContact OG-OH 2.86Å
1432E84.3Confident89.8Confident205 Ų20553.2 Ų53.296%0.95828%0.279SS*.THydrogen-bonded Turntrans-77.5-5.9175.4-62.2178-172.200112T1434E1432-T1434 VanDerWaalsContact C-N 3.32Å; E1432-T1434 PolarHBondContact O-N 2.86Å
1433E80.9Confident89.9Confident125 Ų12552 Ų5258%0.58427%0.271SS*.THydrogen-bonded Turntrans-73.5-18.1177.2-61.4-179.5162.900113.7S1431 K1439S1431-E1433 PolarHBondContact O-N 3.05Å; S1431-E1433 WeakPolarHBondContact OG-CB 3.26Å; S1431-E1433 WeakPolarHBondContact OG-CG 3.29Å; S1431-E1433 PolarHBondContact OG-N 2.69Å; E1433-K1439 VanDerWaalsContact OE2-CD 3.3Å; E1433-K1439 WeakPolarHBondContact OE2-CD 3.14Å; E1433-K1439 IonicContact OE2-NZ 3.96Å; E1433-K1439 PolarHBondContact OE2-NZ 2.8Å
1434T82.6Confident90.1Very high44 Ų4451.2 Ų51.227%0.2727%0.266SS..SBendtrans-121.9143.8-169.564.80000112.7E1432 H1436 G1437 T1438 K1439E1432-T1434 VanDerWaalsContact C-N 3.32Å; E1432-T1434 PolarHBondContact O-N 2.86Å; T1434-H1436 PolarHBondContact O-N 2.91Å; T1434-H1436 VanDerWaalsContact O-N 3.16Å; T1434-G1437 PolarHBondContact O-N 3.24Å; T1434-G1437 PolarHBondContact OG1-N 3.12Å; T1434-T1438 VanDerWaalsContact OG1-C 3.27Å; T1434-T1438 PolarHBondContact OG1-N 3.3Å; T1434-T1438 VanDerWaalsContact OG1-N 3.16Å; T1434-T1438 PolarHBondContact OG1-O 2.86Å; T1434-K1439 HydrophobicContact CG2-CB 3.78Å; T1434-K1439 HydrophobicContact CG2-CD 4.36Å; T1434-K1439 HydrophobicContact CG2-CG 4.12Å
1435F79.1Confident90.1Very high146 Ų14650.8 Ų50.864%0.6426%0.264SS*.THydrogen-bonded Turntrans-63.4-22.1-179.2-163.3-95.2000113.6D1667F1435-D1667 VanDerWaalsContact CE2-OD2 3.26Å; F1435-D1667 WeakPolarHBondContact CE2-OD2 3.47Å; F1435-D1667 WeakPolarHBondContact CZ-OD2 3.43Å
1436H77Confident90.2Very high169 Ų16949.1 Ų49.178%0.78226%0.255SS*.THydrogen-bonded Turntrans-87.7-4.1174.9-63.7-43.1000113.8T1434 T1438T1434-H1436 PolarHBondContact O-N 2.91Å; T1434-H1436 VanDerWaalsContact O-N 3.16Å; H1436-T1438 PolarHBondContact O-N 2.98Å
1437G85.7Confident90.3Very high37 Ų3748 Ų4838%0.38125%0.248SC..SBendtrans72.76-177.800000114.6A1430 S1431 T1434A1430-G1437 WeakPolarHBondContact CA-O 3.46Å; S1431-G1437 PolarHBondContact N-O 3.44Å; S1431-G1437 CarbonylContact O-C 3.59Å; S1431-G1437 WeakPolarHBondContact O-CA 3.13Å; T1434-G1437 PolarHBondContact O-N 3.24Å; T1434-G1437 PolarHBondContact OG1-N 3.12Å
1438T90.2Very high90.2Very high48 Ų4848.6 Ų48.629%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-140.2135.8175.954.50000110.7L1429 T1434 H1436L1429-T1438 CarbonylContact O-C 3.46Å; L1429-T1438 WeakPolarHBondContact O-CA 3.3Å; T1434-T1438 VanDerWaalsContact OG1-C 3.27Å; T1434-T1438 PolarHBondContact OG1-N 3.3Å; T1434-T1438 VanDerWaalsContact OG1-N 3.16Å; T1434-T1438 PolarHBondContact OG1-O 2.86Å; H1436-T1438 PolarHBondContact O-N 2.98Å
1439K91.5Very high90.1Very high27 Ų2746.3 Ų46.312%0.11724%0.244CC..EExtended strand (participates in β ladder)trans-115.9146.7173.9-174174.4176.4-171.30109.5L1429 E1433 T1434 Y1441 D1464L1429-K1439 PolarHBondContact N-O 2.83Å; L1429-K1439 PolarHBondContact O-N 2.9Å; E1433-K1439 VanDerWaalsContact OE2-CD 3.3Å; E1433-K1439 WeakPolarHBondContact OE2-CD 3.14Å; E1433-K1439 IonicContact OE2-NZ 3.96Å; E1433-K1439 PolarHBondContact OE2-NZ 2.8Å; T1434-K1439 HydrophobicContact CG2-CB 3.78Å; T1434-K1439 HydrophobicContact CG2-CD 4.36Å; T1434-K1439 HydrophobicContact CG2-CG 4.12Å; K1439-Y1441 HydrophobicContact CB-CD2 4.48Å; K1439-Y1441 HydrophobicContact CB-CE2 3.81Å; K1439-Y1441 HydrophobicContact CD-CE1 3.89Å; K1439-Y1441 HydrophobicContact CD-CE2 4.44Å; K1439-Y1441 HydrophobicContact CG-CE1 4.31Å; K1439-Y1441 HydrophobicContact CG-CE2 4.24Å; K1439-Y1441 WeakPolarHBondContact O-CD2 3.31Å; K1439-D1464 VanDerWaalsContact CE-OD1 3.28Å; K1439-D1464 WeakPolarHBondContact CE-OD1 3.2Å; K1439-D1464 VanDerWaalsContact NZ-CG 3.33Å; K1439-D1464 IonicContact NZ-OD1 2.74Å; K1439-D1464 PolarHBondContact NZ-OD1 2.84Å; K1439-D1464 VanDerWaalsContact NZ-OD1 3.16Å; K1439-D1464 IonicContact NZ-OD2 3.88Å; K1439-D1464 PolarHBondContact NZ-OD2 2.85Å
1440D91.8Very high89.9Confident25 Ų2547.6 Ų47.613%0.13425%0.249CC..EExtended strand (participates in β ladder)trans-83128.8173.9-81.419.2000109.9T1426 Q1428T1426-D1440 HydrophobicContact CG2-CB 3.73Å; T1426-D1440 WeakPolarHBondContact CG2-OD2 3.36Å; Q1428-D1440 WeakPolarHBondContact CG-OD1 3.48Å; Q1428-D1440 PolarHBondContact NE2-OD1 2.83Å
1441Y94.3Very high89.6Confident9 Ų947.4 Ų47.44%0.03525%0.252CS..EExtended strand (participates in β ladder)trans-126150176.2-61.8-80.2000110.1T1426 A1427 L1429 S1431 K1439 I1462 D1464 I1484 L1516T1426-Y1441 CarbonylContact C-O 3.59Å; T1426-Y1441 WeakPolarHBondContact CA-O 3.02Å; A1427-Y1441 PolarHBondContact N-O 3.38Å; A1427-Y1441 PolarHBondContact O-N 3.16Å; L1429-Y1441 HydrophobicContact CB-CD2 3.76Å; L1429-Y1441 HydrophobicContact CB-CE2 3.93Å; L1429-Y1441 HydrophobicContact CD1-CD2 3.88Å; L1429-Y1441 HydrophobicContact CG-CD2 3.94Å; S1431-Y1441 PolarHBondContact OG-OH 2.86Å; K1439-Y1441 HydrophobicContact CB-CD2 4.48Å; K1439-Y1441 HydrophobicContact CB-CE2 3.81Å; K1439-Y1441 HydrophobicContact CD-CE1 3.89Å; K1439-Y1441 HydrophobicContact CD-CE2 4.44Å; K1439-Y1441 HydrophobicContact CG-CE1 4.31Å; K1439-Y1441 HydrophobicContact CG-CE2 4.24Å; K1439-Y1441 WeakPolarHBondContact O-CD2 3.31Å; Y1441-I1462 HydrophobicContact CG-CG2 4.24Å; Y1441-D1464 HydrophobicContact CD1-CB 3.98Å; Y1441-D1464 HydrophobicContact CE1-CB 4.16Å; Y1441-I1484 HydrophobicContact CD1-CD1 3.97Å; Y1441-I1484 HydrophobicContact CE1-CD1 3.44Å; Y1441-I1484 VanDerWaalsContact CE1-CD1 3.44Å; Y1441-L1516 HydrophobicContact CE2-CD2 4.37Å
1442L95.7Very high89.6Confident1 Ų156.3 Ų56.31%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-81.3117.9168.9-71.9170.9000108.7Q1336 A1345 M1389 L1424 I1425 L1463 V1465Q1336-L1442 HydrophobicContact CG-CD2 3.96Å; A1345-L1442 HydrophobicContact CB-CD1 3.79Å; A1345-L1442 HydrophobicContact CB-CD2 4.31Å; M1389-L1442 HydrophobicContact CE-CD1 4.32Å; M1389-L1442 HydrophobicContact SD-CD1 4.19Å; L1424-L1442 HydrophobicContact CD1-CD2 4.42Å; I1425-L1442 WeakPolarHBondContact O-CA 3.1Å; L1442-L1463 HydrophobicContact CB-CB 4.11Å; L1442-L1463 PolarHBondContact N-O 2.89Å; L1442-L1463 PolarHBondContact O-N 2.83Å; L1442-V1465 HydrophobicContact CD1-CG2 3.65Å; L1442-V1465 HydrophobicContact CG-CG2 4.42Å
1443A96.2Very high89.6Confident0 Ų053.5 Ų53.50%028%0.278CS..EExtended strand (participates in β ladder)trans-113130.7177.300000110.3I1425 A1427 L1461 L1496 L1503I1425-A1443 HydrophobicContact CD1-CB 4.42Å; I1425-A1443 HydrophobicContact CG1-CB 3.98Å; I1425-A1443 PolarHBondContact N-O 2.86Å; I1425-A1443 PolarHBondContact O-N 3.2Å; A1427-A1443 HydrophobicContact CB-CB 3.95Å; A1443-L1461 WeakPolarHBondContact CA-O 3.04Å; A1443-L1496 HydrophobicContact CB-CD1 4.1Å; A1443-L1503 HydrophobicContact CB-CD1 4.2Å
1444L96.6Very high90.1Very high0 Ų047.9 Ų47.90%025%0.252CS..EExtended strand (participates in β ladder)trans-127.7137.9-174.4-178.9150000110.5V1347 L1387 F1415 V1421 C1423 L1424 A1446 L1461V1347-L1444 HydrophobicContact CG2-CD1 4.02Å; L1387-L1444 HydrophobicContact CD2-CD1 4.45Å; F1415-L1444 HydrophobicContact CE1-CD1 4.5Å; F1415-L1444 HydrophobicContact CE1-CD2 3.57Å; F1415-L1444 HydrophobicContact CE2-CD1 4.49Å; F1415-L1444 HydrophobicContact CZ-CD1 3.71Å; F1415-L1444 HydrophobicContact CZ-CD2 3.64Å; F1415-L1444 HydrophobicContact CZ-CG 4.37Å; V1421-L1444 HydrophobicContact CG1-CD1 3.9Å; V1421-L1444 HydrophobicContact CG1-CD2 4.12Å; V1421-L1444 HydrophobicContact CG1-CG 3.88Å; V1421-L1444 HydrophobicContact CG2-CD2 4.37Å; C1423-L1444 WeakPolarHBondContact O-CA 3.15Å; L1424-L1444 HydrophobicContact CD1-CB 4.38Å; L1424-L1444 HydrophobicContact CD1-CD1 4.37Å; L1444-A1446 HydrophobicContact CD2-CB 4.18Å; L1444-L1461 HydrophobicContact CB-CB 4.38Å; L1444-L1461 HydrophobicContact CD2-CB 4.44Å; L1444-L1461 HydrophobicContact CD2-CD1 4.08Å; L1444-L1461 PolarHBondContact N-O 2.81Å; L1444-L1461 PolarHBondContact O-N 3.2Å
1445G96Very high90.4Very high0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-115.1133.5173.900000111.3T1422 C1423T1422-G1445 PolarHBondContact N-O 3.25Å; T1422-G1445 PolarHBondContact OG1-O 2.63Å; C1423-G1445 PolarHBondContact N-O 3.44Å; C1423-G1445 PolarHBondContact O-N 2.66Å
1446A96.4Very high91.1Very high0 Ų044.9 Ų44.90%025%0.247CC..EExtended strand (participates in β ladder)trans-136.3159.8178.300000112.2F1415 E1419 V1420 V1421 L1444 G1458 R1459F1415-A1446 HydrophobicContact CD1-CB 4.4Å; F1415-A1446 HydrophobicContact CE1-CB 4.38Å; E1419-A1446 HydrophobicContact CG-CB 3.77Å; V1420-A1446 CarbonylContact O-C 3.56Å; V1420-A1446 VanDerWaalsContact O-CA 3.28Å; V1420-A1446 WeakPolarHBondContact O-CA 3.41Å; V1421-A1446 HydrophobicContact CG2-CB 4.38Å; L1444-A1446 HydrophobicContact CD2-CB 4.18Å; A1446-G1458 CarbonylContact O-C 3.54Å; A1446-G1458 VanDerWaalsContact O-CA 3.23Å; A1446-G1458 WeakPolarHBondContact O-CA 3.28Å; A1446-R1459 PolarHBondContact N-O 2.83Å; A1446-R1459 VanDerWaalsContact N-O 3.08Å; A1446-R1459 PolarHBondContact O-N 3.49Å
1447N95.9Very high91.9Very high6 Ų641.8 Ų41.83%0.03223%0.229CC..EExtended strand (participates in β ladder)trans-140.3122.4-173.4-72.2-34.8000113.8V1420 T1422 T1449 V1456 R1457 G1458 P1492 V1493V1420-N1447 PolarHBondContact N-O 3.25Å; V1420-N1447 PolarHBondContact O-N 2.63Å; T1422-N1447 WeakPolarHBondContact CG2-ND2 3.09Å; N1447-T1449 PolarHBondContact O-N 3.38Å; N1447-T1449 PolarHBondContact O-OG1 3.11Å; N1447-V1456 HydrophobicContact CB-CG1 4Å; N1447-R1457 CarbonylContact C-O 3.53Å; N1447-R1457 WeakPolarHBondContact CA-O 3.5Å; N1447-G1458 VanDerWaalsContact OD1-CA 3.27Å; N1447-G1458 WeakPolarHBondContact OD1-CA 3.38Å; N1447-P1492 VanDerWaalsContact OD1-C 3.3Å; N1447-P1492 WeakPolarHBondContact OD1-CA 3.43Å; N1447-P1492 WeakPolarHBondContact OD1-CB 3.5Å; N1447-V1493 PolarHBondContact ND2-O 3.09Å; N1447-V1493 PolarHBondContact OD1-N 2.76Å; N1447-V1493 PolarHBondContact OD1-O 3.01Å
1448L93.1Very high92.3Very high14 Ų1440 Ų407%0.07321%0.211CC..EExtended strand (participates in β ladder)trans-84.2106.2177.2-59.398.8000110.7E1416 W1418 E1419 Y1450 R1457E1416-L1448 HydrophobicContact CB-CD2 4.42Å; E1416-L1448 WeakPolarHBondContact OE2-CD2 3.39Å; W1418-L1448 WeakPolarHBondContact O-CA 3.3Å; E1419-L1448 HydrophobicContact CB-CG 4.13Å; E1419-L1448 HydrophobicContact CG-CG 4.19Å; L1448-Y1450 HydrophobicContact CB-CE2 3.69Å; L1448-Y1450 WeakPolarHBondContact CD2-OH 3.23Å; L1448-R1457 HydrophobicContact CD1-CB 4.47Å; L1448-R1457 PolarHBondContact N-O 2.8Å
1449T90.2Very high92.6Very high54 Ų5440.1 Ų40.133%0.33121%0.205SC..  trans-121.788.5-161.5-52.80000112.2W1418 N1447 G1451 V1456W1418-T1449 PolarHBondContact O-N 2.91Å; N1447-T1449 PolarHBondContact O-N 3.38Å; N1447-T1449 PolarHBondContact O-OG1 3.11Å; T1449-G1451 VanDerWaalsContact C-N 3.35Å; T1449-G1451 PolarHBondContact O-N 2.92Å; T1449-V1456 HydrophobicContact CG2-CG2 4.16Å
1450Y89.5Confident92.8Very high29 Ų2938.9 Ų38.911%0.11420%0.2CC..  trans-92.323.9-173.7-49.6-86.8000114.6F1358 K1366 W1418 L1448 I1454F1358-Y1450 HydrophobicContact CB-CD1 4.45Å; F1358-Y1450 HydrophobicContact CD1-CD1 4.48Å; F1358-Y1450 AromaticContact CD2-CD1 3.6Å; F1358-Y1450 HydrophobicContact CD2-CD1 3.6Å; F1358-Y1450 HydrophobicContact CD2-CE1 4.27Å; F1358-Y1450 HydrophobicContact CD2-CG 4.47Å; F1358-Y1450 AromaticContact CE2-CD1 3.93Å; F1358-Y1450 HydrophobicContact CE2-CD1 3.93Å; F1358-Y1450 HydrophobicContact CE2-CE1 4.16Å; F1358-Y1450 AromaticContact CG-CD1 3.91Å; F1358-Y1450 HydrophobicContact CG-CD1 3.91Å; F1358-Y1450 HydrophobicContact CG-CG 4.48Å; F1358-Y1450 HydrophobicContact CZ-CD1 4.49Å; F1358-Y1450 HydrophobicContact CZ-CE1 4.38Å; K1366-Y1450 HydrophobicContact CD-CE2 4.27Å; K1366-Y1450 VanDerWaalsContact NZ-CZ 3.33Å; K1366-Y1450 PolarHBondContact NZ-OH 3.27Å; K1366-Y1450 VanDerWaalsContact NZ-OH 3.09Å; W1418-Y1450 HydrophobicContact CB-CD1 3.91Å; W1418-Y1450 HydrophobicContact CB-CE1 3.92Å; W1418-Y1450 AromaticContact CD1-CD1 3.95Å; W1418-Y1450 AromaticContact CD1-CE1 3.97Å; W1418-Y1450 HydrophobicContact CD2-CD1 4.39Å; W1418-Y1450 AromaticContact CG-CD1 3.82Å; W1418-Y1450 HydrophobicContact CG-CD1 3.82Å; W1418-Y1450 HydrophobicContact CG-CE1 4.06Å; L1448-Y1450 HydrophobicContact CB-CE2 3.69Å; L1448-Y1450 WeakPolarHBondContact CD2-OH 3.23Å; Y1450-I1454 HydrophobicContact CD2-CG2 3.89Å; Y1450-I1454 HydrophobicContact CG-CG2 4.39Å
1451G85.9Confident93Very high40 Ų4037.9 Ų37.941%0.41220%0.195SC..  trans95.2175.8-174.200000114.6T1449 E1453 I1454T1449-G1451 VanDerWaalsContact C-N 3.35Å; T1449-G1451 PolarHBondContact O-N 2.92Å; G1451-E1453 PolarHBondContact O-N 2.78Å; G1451-I1454 PolarHBondContact O-N 3.27Å
1452E88.4Confident93.1Very high204 Ų20437.4 Ų37.495%0.95319%0.193SC*.THydrogen-bonded Turntrans-67.5-28.9-169.3-171.8176.1-173.600114.2I1454E1452-I1454 VanDerWaalsContact C-N 3.3Å; E1452-I1454 PolarHBondContact O-N 2.87Å
1453E85.9Confident93.1Very high145 Ų14537.5 Ų37.568%0.67819%0.193SC*.THydrogen-bonded Turntrans-73.2-19.8-178.4-62.6-174.3175.600113.5L1360 G1451L1360-E1453 WeakPolarHBondContact CD1-O 3.39Å; G1451-E1453 PolarHBondContact O-N 2.78Å
1454I89.9Confident93Very high8 Ų837.7 Ų37.74%0.04119%0.194CC..SBendtrans-109.3127.1-172.8-68.1168.3000110.1F1358 L1360 Y1450 G1451 E1452 V1456F1358-I1454 HydrophobicContact CB-CD1 3.52Å; L1360-I1454 HydrophobicContact CD2-CG1 4.01Å; L1360-I1454 HydrophobicContact CG-CG1 3.92Å; Y1450-I1454 HydrophobicContact CD2-CG2 3.89Å; Y1450-I1454 HydrophobicContact CG-CG2 4.39Å; G1451-I1454 PolarHBondContact O-N 3.27Å; E1452-I1454 VanDerWaalsContact C-N 3.3Å; E1452-I1454 PolarHBondContact O-N 2.87Å; I1454-V1456 PolarHBondContact O-N 3.09Å; I1454-V1456 VanDerWaalsContact O-N 3.15Å
1455P90.1Very high92.8Very high87 Ų8738.4 Ų38.457%0.56520%0.198SC*.  trans-67.5115.2-17926.8-34.2000111.7R1457P1455-R1457 PolarHBondContact O-N 2.88Å
1456V92.8Very high92.6Very high40 Ų4040.8 Ų40.824%0.24221%0.211CC..  trans-58.8131.6-179.6-1750000111.5N1447 T1449 I1454 P1492N1447-V1456 HydrophobicContact CB-CG1 4Å; T1449-V1456 HydrophobicContact CG2-CG2 4.16Å; I1454-V1456 PolarHBondContact O-N 3.09Å; I1454-V1456 VanDerWaalsContact O-N 3.15Å; V1456-P1492 HydrophobicContact CB-CB 4.44Å; V1456-P1492 HydrophobicContact CG1-CB 3.85Å; V1456-P1492 HydrophobicContact CG1-CG 4.46Å
1457R93.5Very high92.3Very high104 Ų10444.8 Ų44.839%0.39223%0.232SC..EExtended strand (participates in β ladder)trans-102.1149168.6-69-63-163.8-129.8-9.5109.8N1447 L1448 P1455 Q1489 K1490N1447-R1457 CarbonylContact C-O 3.53Å; N1447-R1457 WeakPolarHBondContact CA-O 3.5Å; L1448-R1457 HydrophobicContact CD1-CB 4.47Å; L1448-R1457 PolarHBondContact N-O 2.8Å; P1455-R1457 PolarHBondContact O-N 2.88Å; R1457-Q1489 WeakPolarHBondContact CD-O 3.12Å; R1457-K1490 PolarHBondContact NH1-O 2.87Å
1458G94.5Very high92.1Very high0 Ų047.4 Ų47.40%025%0.248CC..EExtended strand (participates in β ladder)trans-109.3167.817200000111.8A1446 N1447 E1488 Q1489 G1491A1446-G1458 CarbonylContact O-C 3.54Å; A1446-G1458 VanDerWaalsContact O-CA 3.23Å; A1446-G1458 WeakPolarHBondContact O-CA 3.28Å; N1447-G1458 VanDerWaalsContact OD1-CA 3.27Å; N1447-G1458 WeakPolarHBondContact OD1-CA 3.38Å; G1458-E1488 CarbonylContact O-C 3.56Å; G1458-E1488 WeakPolarHBondContact O-CA 3.45Å; G1458-Q1489 PolarHBondContact N-O 2.72Å; G1458-Q1489 PolarHBondContact O-N 3.28Å; G1458-G1491 WeakPolarHBondContact CA-O 3.31Å; G1458-G1491 PolarHBondContact N-O 2.8Å; G1458-G1491 VanDerWaalsContact N-O 3.09Å
1459R95.7Very high91.9Very high50 Ų5053 Ų5319%0.18928%0.282CS..EExtended strand (participates in β ladder)trans-139.1140.1176.1-171.7-175.6-173.8172.63.1108.9E1419 A1446 D1486E1419-R1459 WeakPolarHBondContact OE1-CD 3.34Å; E1419-R1459 IonicContact OE1-CZ 3.92Å; E1419-R1459 IonicContact OE1-NE 3.16Å; E1419-R1459 IonicContact OE1-NH1 2.82Å; E1419-R1459 PolarHBondContact OE1-NH1 2.86Å; E1419-R1459 VanDerWaalsContact OE1-NH1 3.13Å; E1419-R1459 IonicContact OE2-NH1 3.63Å; E1419-R1459 PolarHBondContact OE2-NH1 3.13Å; A1446-R1459 PolarHBondContact N-O 2.83Å; A1446-R1459 VanDerWaalsContact N-O 3.08Å; A1446-R1459 PolarHBondContact O-N 3.49Å; R1459-D1486 WeakPolarHBondContact CG-OD1 3.44Å; R1459-D1486 IonicContact CZ-OD1 2.94Å; R1459-D1486 IonicContact CZ-OD2 3.21Å; R1459-D1486 IonicContact NE-OD1 2.89Å; R1459-D1486 PolarHBondContact NE-OD1 3.44Å; R1459-D1486 IonicContact NE-OD2 3.9Å; R1459-D1486 PolarHBondContact NE-OD2 2.82Å; R1459-D1486 IonicContact NH2-OD1 3.78Å; R1459-D1486 IonicContact NH2-OD2 2.71Å; R1459-D1486 PolarHBondContact NH2-OD2 3.39Å
1460I96.8Very high91.9Very high0 Ų053.1 Ų53.10%028%0.284CS..EExtended strand (participates in β ladder)trans-115.7122.4173-57.8178.5000108.3I1462 G1487 Q1489 V1493 L1503 I1507 L1521I1460-I1462 HydrophobicContact CG2-CG1 4.4Å; I1460-G1487 PolarHBondContact N-O 3.43Å; I1460-G1487 PolarHBondContact O-N 3.28Å; I1460-G1487 VanDerWaalsContact O-N 3.08Å; I1460-Q1489 HydrophobicContact CD1-CG 3.9Å; I1460-Q1489 HydrophobicContact CG1-CG 3.86Å; I1460-V1493 HydrophobicContact CD1-CG2 4.21Å; I1460-V1493 HydrophobicContact CG1-CG1 4.25Å; I1460-V1493 HydrophobicContact CG1-CG2 3.63Å; I1460-L1503 HydrophobicContact CG2-CD2 4.16Å; I1460-I1507 HydrophobicContact CD1-CD1 4.33Å; I1460-L1521 HydrophobicContact CB-CD1 4.39Å; I1460-L1521 HydrophobicContact CD1-CD1 4.32Å; I1460-L1521 HydrophobicContact CG2-CD1 3.88Å
1461L96Very high91.9Very high4 Ų456.7 Ų56.72%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-111.5134.1174-81151.4000109.4F1415 A1443 L1444 I1483 H1485 D1486F1415-L1461 HydrophobicContact CE1-CD1 3.71Å; F1415-L1461 HydrophobicContact CZ-CD1 4.38Å; A1443-L1461 WeakPolarHBondContact CA-O 3.04Å; L1444-L1461 HydrophobicContact CB-CB 4.38Å; L1444-L1461 HydrophobicContact CD2-CB 4.44Å; L1444-L1461 HydrophobicContact CD2-CD1 4.08Å; L1444-L1461 PolarHBondContact N-O 2.81Å; L1444-L1461 PolarHBondContact O-N 3.2Å; L1461-I1483 HydrophobicContact CD2-CG2 4.22Å; L1461-H1485 WeakPolarHBondContact CA-O 3.43Å; L1461-D1486 HydrophobicContact CD2-CB 3.77Å
1462I96.7Very high92Very high0 Ų061.3 Ų61.30%033%0.325CS..EExtended strand (participates in β ladder)trans-123.2126172.5-58.6175.1000108.3L1429 Y1441 I1460 I1484 H1485 L1503 L1516 L1521L1429-I1462 HydrophobicContact CD1-CD1 4.13Å; L1429-I1462 HydrophobicContact CD1-CG2 4.38Å; Y1441-I1462 HydrophobicContact CG-CG2 4.24Å; I1460-I1462 HydrophobicContact CG2-CG1 4.4Å; I1462-I1484 HydrophobicContact CG2-CB 4.48Å; I1462-I1484 PolarHBondContact O-N 2.99Å; I1462-H1485 HydrophobicContact CB-CB 3.96Å; I1462-H1485 HydrophobicContact CD1-CB 4.06Å; I1462-H1485 HydrophobicContact CG1-CB 4.13Å; I1462-H1485 PolarHBondContact N-O 2.85Å; I1462-H1485 PolarHBondContact O-N 2.9Å; I1462-L1503 HydrophobicContact CD1-CD2 4.11Å; I1462-L1516 HydrophobicContact CD1-CD1 4.41Å; I1462-L1521 HydrophobicContact CD1-CD1 4.09Å; I1462-L1521 HydrophobicContact CD1-CD2 3.75Å; I1462-L1521 HydrophobicContact CD1-CG 4.15Å
1463L95.3Very high91.8Very high2 Ų255.4 Ų55.41%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-126.8140-167.8-52.6167.9000109.1L1387 I1413 L1442 L1481 K1482 I1483L1387-L1463 HydrophobicContact CD2-CD1 3.37Å; I1413-L1463 HydrophobicContact CD1-CD2 3.97Å; L1442-L1463 HydrophobicContact CB-CB 4.11Å; L1442-L1463 PolarHBondContact N-O 2.89Å; L1442-L1463 PolarHBondContact O-N 2.83Å; L1463-L1481 HydrophobicContact CB-CD1 4.21Å; L1463-L1481 HydrophobicContact CB-CG 4.48Å; L1463-L1481 HydrophobicContact CD1-CD2 4.36Å; L1463-K1482 CarbonylContact C-O 3.57Å; L1463-K1482 WeakPolarHBondContact CA-O 3.32Å; L1463-I1483 HydrophobicContact CD2-CB 4.29Å; L1463-I1483 HydrophobicContact CD2-CG1 3.75Å; L1463-I1483 HydrophobicContact CD2-CG2 4.44Å
1464D93.9Very high91.8Very high5 Ų552.9 Ų52.93%0.02731%0.307CS..EExtended strand (participates in β ladder)trans-117.4133.6179.2-168.43.7000108.7K1439 Y1441 I1466 K1482 I1484K1439-D1464 VanDerWaalsContact CE-OD1 3.28Å; K1439-D1464 WeakPolarHBondContact CE-OD1 3.2Å; K1439-D1464 VanDerWaalsContact NZ-CG 3.33Å; K1439-D1464 IonicContact NZ-OD1 2.74Å; K1439-D1464 PolarHBondContact NZ-OD1 2.84Å; K1439-D1464 VanDerWaalsContact NZ-OD1 3.16Å; K1439-D1464 IonicContact NZ-OD2 3.88Å; K1439-D1464 PolarHBondContact NZ-OD2 2.85Å; Y1441-D1464 HydrophobicContact CD1-CB 3.98Å; Y1441-D1464 HydrophobicContact CE1-CB 4.16Å; D1464-I1466 HydrophobicContact CB-CG2 4.28Å; D1464-K1482 HydrophobicContact CB-CB 4.36Å; D1464-K1482 PolarHBondContact N-O 3.09Å; D1464-K1482 PolarHBondContact O-N 2.8Å; D1464-I1484 HydrophobicContact CB-CD1 3.57Å; D1464-I1484 HydrophobicContact CB-CG1 4.07Å
1465V93.3Very high91.5Very high14 Ų1457.3 Ų57.39%0.08534%0.336CS..EExtended strand (participates in β ladder)trans-98.790.9179.3-174.10000107.1M1389 L1442 H1479 L1481M1389-V1465 HydrophobicContact CE-CG1 4.21Å; M1389-V1465 HydrophobicContact CE-CG2 3.86Å; L1442-V1465 HydrophobicContact CD1-CG2 3.65Å; L1442-V1465 HydrophobicContact CG-CG2 4.42Å; V1465-H1479 HydrophobicContact CG1-CB 4.34Å; V1465-L1481 HydrophobicContact CG2-CD1 4.19Å
1466I91.5Very high91.3Very high51 Ų5155.4 Ų55.426%0.26232%0.321SS..EExtended strand (participates in β ladder)trans-91.4140.6-173.358.2165.9000111.6D1464 V1468 K1480 K1482D1464-I1466 HydrophobicContact CB-CG2 4.28Å; I1466-V1468 HydrophobicContact CD1-CG2 4.05Å; I1466-V1468 HydrophobicContact CG1-CG2 4.11Å; I1466-K1480 HydrophobicContact CG1-CB 4.17Å; I1466-K1480 VanDerWaalsContact CG1-O 3.25Å; I1466-K1480 WeakPolarHBondContact CG1-O 3.44Å; I1466-K1480 PolarHBondContact N-O 3.39Å; I1466-K1480 PolarHBondContact O-N 2.91Å; I1466-K1482 HydrophobicContact CD1-CB 4.18Å; I1466-K1482 HydrophobicContact CD1-CD 4.36Å; I1466-K1482 HydrophobicContact CG1-CB 4.31Å; I1466-K1482 HydrophobicContact CG2-CD 4.44Å
1467D89.9Confident91.1Very high84 Ų8454.1 Ų54.145%0.44931%0.313SS..EExtended strand (participates in β ladder)trans-81.5126.9169.4-90.323.8000110.5R1478 H1479D1467-R1478 CarbonylContact C-O 3.27Å; D1467-R1478 WeakPolarHBondContact CA-O 3.29Å; D1467-R1478 IonicContact OD1-NE 3.41Å; D1467-R1478 IonicContact OD2-CZ 3.2Å; D1467-R1478 IonicContact OD2-NE 2.7Å; D1467-R1478 PolarHBondContact OD2-NE 3.03Å; D1467-R1478 IonicContact OD2-NH2 3.65Å; D1467-R1478 PolarHBondContact OD2-NH2 2.96Å; D1467-H1479 IonicContact OD1-CE1 3.29Å; D1467-H1479 PolarHBondContact OD1-CE1 2.84Å; D1467-H1479 IonicContact OD1-ND1 3.69Å; D1467-H1479 PolarHBondContact OD1-ND1 2.87Å
1468V90.4Very high90.8Very high61 Ų6155.3 Ų55.337%0.3732%0.317SS..  trans-124.9158.3-178.5-1740000107.9I1466 P1470 R1478 K1480I1466-V1468 HydrophobicContact CD1-CG2 4.05Å; I1466-V1468 HydrophobicContact CG1-CG2 4.11Å; V1468-P1470 WeakPolarHBondContact O-CD 3.34Å; V1468-R1478 PolarHBondContact N-O 2.91Å; V1468-R1478 WeakPolarHBondContact O-CA 3.49Å; V1468-K1480 HydrophobicContact CG2-CB 3.75Å
1469V90.6Very high90.6Very high130 Ų13056.6 Ų56.679%0.78832%0.324SS*.PPolyproline II helixtrans-65.9122.1170.6-178.90000108.5
1470P89.6Confident90.4Very high58 Ų5859.3 Ų59.338%0.37734%0.337SS..PPolyproline II helixtrans-66.8145.5-179.426.6-34.1000111.8V1468 T1477 R1478V1468-P1470 WeakPolarHBondContact O-CD 3.34Å; P1470-T1477 WeakPolarHBondContact CA-OG1 3.21Å; P1470-R1478 HydrophobicContact CB-CB 4.3Å
1471E89.4Confident90.2Very high103 Ų10360.3 Ų60.348%0.48134%0.342SS..PPolyproline II helixtrans-65.4142.7175.4-65.2179.6-167.100111.1G1473 Q1474 T1477E1471-G1473 PolarHBondContact O-N 2.9Å; E1471-G1473 VanDerWaalsContact O-N 3.08Å; E1471-Q1474 PolarHBondContact O-N 2.57Å; E1471-T1477 PolarHBondContact N-OG1 3.16Å
1472P86.8Confident90Very high138 Ų13864.7 Ų64.790%0.89636%0.361SS*.THydrogen-bonded Turntrans-55.5116.6-178.1-27.135.6000112.7
1473G84.9Confident89.9Confident79 Ų7968.9 Ų68.981%0.81438%0.382SS*.THydrogen-bonded Turntrans92.6-10.7-177.800000115.6E1471 P1475E1471-G1473 PolarHBondContact O-N 2.9Å; E1471-G1473 VanDerWaalsContact O-N 3.08Å; G1473-P1475 WeakPolarHBondContact O-CD 3.29Å
1474Q85.4Confident89.9Confident93 Ų9369.9 Ų69.944%0.43539%0.387SS..  trans-120.775.6179.4-61.4-16426.600112.3E1471 L1476 T1477E1471-Q1474 PolarHBondContact O-N 2.57Å; Q1474-L1476 PolarHBondContact O-N 3.03Å; Q1474-T1477 HydrophobicContact CB-CG2 3.84Å; Q1474-T1477 PolarHBondContact O-N 2.93Å; Q1474-T1477 PolarHBondContact O-OG1 3.33Å
1475P84.9Confident89.9Confident100 Ų10070.6 Ų70.665%0.64939%0.39SS*.G310 helixtrans-60.4-22.1-174.525.2-35.3000114.4G1473 T1477 R1478G1473-P1475 WeakPolarHBondContact O-CD 3.29Å; P1475-T1477 VanDerWaalsContact C-N 3.27Å; P1475-T1477 PolarHBondContact O-N 2.89Å; P1475-R1478 WeakPolarHBondContact O-CB 3.29Å; P1475-R1478 PolarHBondContact O-N 2.83Å
1476L85.1Confident90Very high48 Ų4873.4 Ų73.425%0.25141%0.405SS..G310 helixtrans-63.4-30.9176.5-62170.3000112.8A1391 L1406 Q1474 R1478 H1479A1391-L1476 HydrophobicContact CB-CD2 3.85Å; L1406-L1476 HydrophobicContact CB-CD1 3.76Å; L1406-L1476 HydrophobicContact CB-CD2 4.08Å; L1406-L1476 HydrophobicContact CD1-CD1 4.25Å; L1406-L1476 HydrophobicContact CD1-CD2 4.17Å; L1406-L1476 HydrophobicContact CG-CD1 4.49Å; Q1474-L1476 PolarHBondContact O-N 3.03Å; L1476-R1478 PolarHBondContact O-N 2.84Å; L1476-H1479 PolarHBondContact O-N 3.06Å
1477T88.3Confident90.1Very high13 Ų1371.7 Ų71.78%0.0840%0.4CS..G310 helixtrans-66.6-0.7179.261.30000113.9P1409 P1470 E1471 Q1474 P1475 H1479P1409-T1477 HydrophobicContact CB-CG2 4.14Å; P1409-T1477 HydrophobicContact CG-CG2 4.01Å; P1470-T1477 WeakPolarHBondContact CA-OG1 3.21Å; E1471-T1477 PolarHBondContact N-OG1 3.16Å; Q1474-T1477 HydrophobicContact CB-CG2 3.84Å; Q1474-T1477 PolarHBondContact O-N 2.93Å; Q1474-T1477 PolarHBondContact O-OG1 3.33Å; P1475-T1477 VanDerWaalsContact C-N 3.27Å; P1475-T1477 PolarHBondContact O-N 2.89Å; T1477-H1479 PolarHBondContact O-N 3.33Å
1478R88.3Confident90.3Very high128 Ų12874.6 Ų74.648%0.48341%0.411SS..G310 helixtrans-51.3-38.6166.6175-178.7172.9172.7-2.5111.9D1467 V1468 P1470 P1475 L1476D1467-R1478 CarbonylContact C-O 3.27Å; D1467-R1478 WeakPolarHBondContact CA-O 3.29Å; D1467-R1478 IonicContact OD1-NE 3.41Å; D1467-R1478 IonicContact OD2-CZ 3.2Å; D1467-R1478 IonicContact OD2-NE 2.7Å; D1467-R1478 PolarHBondContact OD2-NE 3.03Å; D1467-R1478 IonicContact OD2-NH2 3.65Å; D1467-R1478 PolarHBondContact OD2-NH2 2.96Å; V1468-R1478 PolarHBondContact N-O 2.91Å; V1468-R1478 WeakPolarHBondContact O-CA 3.49Å; P1470-R1478 HydrophobicContact CB-CB 4.3Å; P1475-R1478 WeakPolarHBondContact O-CB 3.29Å; P1475-R1478 PolarHBondContact O-N 2.83Å; L1476-R1478 PolarHBondContact O-N 2.84Å
1479H90.7Very high90.5Very high28 Ų2873 Ų7313%0.1340%0.399CS..EExtended strand (participates in β ladder)trans-101.2127.8-178.4-53.1-63.7000110.2I1408 V1465 D1467 L1476 T1477I1408-H1479 HydrophobicContact CD1-CB 4.27Å; I1408-H1479 VanDerWaalsContact CG2-O 3.32Å; I1408-H1479 WeakPolarHBondContact CG2-O 3.13Å; V1465-H1479 HydrophobicContact CG1-CB 4.34Å; D1467-H1479 IonicContact OD1-CE1 3.29Å; D1467-H1479 PolarHBondContact OD1-CE1 2.84Å; D1467-H1479 IonicContact OD1-ND1 3.69Å; D1467-H1479 PolarHBondContact OD1-ND1 2.87Å; L1476-H1479 PolarHBondContact O-N 3.06Å; T1477-H1479 PolarHBondContact O-N 3.33Å
1480K90.5Very high90.5Very high107 Ų10775.8 Ų75.847%0.46540%0.401SS..EExtended strand (participates in β ladder)trans-125.2140.8175.9-173.4167-175.4166.50110.7I1466 V1468I1466-K1480 HydrophobicContact CG1-CB 4.17Å; I1466-K1480 VanDerWaalsContact CG1-O 3.25Å; I1466-K1480 WeakPolarHBondContact CG1-O 3.44Å; I1466-K1480 PolarHBondContact N-O 3.39Å; I1466-K1480 PolarHBondContact O-N 2.91Å; V1468-K1480 HydrophobicContact CG2-CB 3.75Å
1481L92.2Very high90.7Very high21 Ų2173.7 Ų73.711%0.1139%0.39CS..EExtended strand (participates in β ladder)trans-84.2130.8175.1-157.571.4000109.8L1387 M1389 T1411 I1413 L1463 V1465L1387-L1481 HydrophobicContact CD2-CD2 4.18Å; M1389-L1481 HydrophobicContact CG-CD1 4.23Å; M1389-L1481 HydrophobicContact SD-CD1 4.16Å; T1411-L1481 HydrophobicContact CG2-CB 4.4Å; I1413-L1481 HydrophobicContact CD1-CD2 3.67Å; I1413-L1481 HydrophobicContact CG1-CD2 4.19Å; L1463-L1481 HydrophobicContact CB-CD1 4.21Å; L1463-L1481 HydrophobicContact CB-CG 4.48Å; L1463-L1481 HydrophobicContact CD1-CD2 4.36Å; V1465-L1481 HydrophobicContact CG2-CD1 4.19Å
1482K93.4Very high91Very high95 Ų9570.1 Ų70.141%0.41338%0.376SS..EExtended strand (participates in β ladder)trans-123.1121.5176.9176-172172.3-165.90109.9L1463 D1464 I1466 I1484L1463-K1482 CarbonylContact C-O 3.57Å; L1463-K1482 WeakPolarHBondContact CA-O 3.32Å; D1464-K1482 HydrophobicContact CB-CB 4.36Å; D1464-K1482 PolarHBondContact N-O 3.09Å; D1464-K1482 PolarHBondContact O-N 2.8Å; I1466-K1482 HydrophobicContact CD1-CB 4.18Å; I1466-K1482 HydrophobicContact CD1-CD 4.36Å; I1466-K1482 HydrophobicContact CG1-CB 4.31Å; I1466-K1482 HydrophobicContact CG2-CD 4.44Å; K1482-I1484 PolarHBondContact O-N 2.88Å
1483I94.3Very high91.5Very high89 Ų8963.6 Ų63.646%0.45633%0.333SS..EExtended strand (participates in β ladder)trans-72.3127170.2-52175000108.4I1413 L1461 L1463 D1486I1413-I1483 HydrophobicContact CD1-CD1 4.19Å; I1413-I1483 HydrophobicContact CD1-CG1 4.22Å; L1461-I1483 HydrophobicContact CD2-CG2 4.22Å; L1463-I1483 HydrophobicContact CD2-CB 4.29Å; L1463-I1483 HydrophobicContact CD2-CG1 3.75Å; L1463-I1483 HydrophobicContact CD2-CG2 4.44Å; I1483-D1486 HydrophobicContact CG2-CB 4.28Å
1484I94.2Very high92Very high22 Ų2260 Ų6011%0.11330%0.295CS..EExtended strand (participates in β ladder)trans-106.7-38.8176.1-73.9-171.5000111.3Y1441 I1462 D1464 K1482 L1516 T1519Y1441-I1484 HydrophobicContact CD1-CD1 3.97Å; Y1441-I1484 HydrophobicContact CE1-CD1 3.44Å; Y1441-I1484 VanDerWaalsContact CE1-CD1 3.44Å; I1462-I1484 HydrophobicContact CG2-CB 4.48Å; I1462-I1484 PolarHBondContact O-N 2.99Å; D1464-I1484 HydrophobicContact CB-CD1 3.57Å; D1464-I1484 HydrophobicContact CB-CG1 4.07Å; K1482-I1484 PolarHBondContact O-N 2.88Å; I1484-L1516 HydrophobicContact CG2-CD1 4.18Å; I1484-L1516 HydrophobicContact CG2-CD2 4.04Å; I1484-T1519 HydrophobicContact CG2-CG2 4.28Å; I1484-T1519 WeakPolarHBondContact O-CB 3.07Å; I1484-T1519 VanDerWaalsContact O-CG2 3.23Å; I1484-T1519 WeakPolarHBondContact O-CG2 3.28Å
1485H95Very high92.5Very high20 Ų2055.7 Ų55.79%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-136.8138.8174-172.170.3000109.6L1461 I1462 T1519L1461-H1485 WeakPolarHBondContact CA-O 3.43Å; I1462-H1485 HydrophobicContact CB-CB 3.96Å; I1462-H1485 HydrophobicContact CD1-CB 4.06Å; I1462-H1485 HydrophobicContact CG1-CB 4.13Å; I1462-H1485 PolarHBondContact N-O 2.85Å; I1462-H1485 PolarHBondContact O-N 2.9Å; H1485-T1519 PolarHBondContact ND1-O 3.04Å
1486D94.7Very high93.1Very high74 Ų7451.2 Ų51.240%0.39625%0.246SC..EExtended strand (participates in β ladder)trans-137.6122166.1-172.22.3000106.9R1459 L1461 I1483R1459-D1486 WeakPolarHBondContact CG-OD1 3.44Å; R1459-D1486 IonicContact CZ-OD1 2.94Å; R1459-D1486 IonicContact CZ-OD2 3.21Å; R1459-D1486 IonicContact NE-OD1 2.89Å; R1459-D1486 PolarHBondContact NE-OD1 3.44Å; R1459-D1486 IonicContact NE-OD2 3.9Å; R1459-D1486 PolarHBondContact NE-OD2 2.82Å; R1459-D1486 IonicContact NH2-OD1 3.78Å; R1459-D1486 IonicContact NH2-OD2 2.71Å; R1459-D1486 PolarHBondContact NH2-OD2 3.39Å; L1461-D1486 HydrophobicContact CD2-CB 3.77Å; I1483-D1486 HydrophobicContact CG2-CB 4.28Å
1487G93.5Very high93.6Very high14 Ų1449.7 Ų49.714%0.14424%0.239CC..EExtended strand (participates in β ladder)trans-157.1112.6-169.100000114.5I1460 Q1489I1460-G1487 PolarHBondContact N-O 3.43Å; I1460-G1487 PolarHBondContact O-N 3.28Å; I1460-G1487 VanDerWaalsContact O-N 3.08Å; G1487-Q1489 PolarHBondContact O-NE2 2.84Å
1488E93.4Very high93.9Very high145 Ų14550.2 Ų50.268%0.67824%0.243SC*.EExtended strand (participates in β ladder)trans-58.2144.3169.7-90.7-165.3-12800113.1G1458G1458-E1488 CarbonylContact O-C 3.56Å; G1458-E1488 WeakPolarHBondContact O-CA 3.45Å
1489Q94.7Very high94.1Very high28 Ų2844.3 Ų44.313%0.13122%0.221CC..EExtended strand (participates in β ladder)trans-125.1142.2-178.5-58.5-54.8-39.700111.2R1457 G1458 I1460 G1487 G1491 V1493 I1507R1457-Q1489 WeakPolarHBondContact CD-O 3.12Å; G1458-Q1489 PolarHBondContact N-O 2.72Å; G1458-Q1489 PolarHBondContact O-N 3.28Å; I1460-Q1489 HydrophobicContact CD1-CG 3.9Å; I1460-Q1489 HydrophobicContact CG1-CG 3.86Å; G1487-Q1489 PolarHBondContact O-NE2 2.84Å; Q1489-G1491 PolarHBondContact O-N 2.82Å; Q1489-V1493 HydrophobicContact CB-CG2 4.1Å; Q1489-V1493 HydrophobicContact CG-CG2 3.88Å; Q1489-I1507 HydrophobicContact CB-CD1 4.19Å; Q1489-I1507 HydrophobicContact CB-CG2 4.2Å; Q1489-I1507 HydrophobicContact CG-CD1 3.95Å
1490K91.8Very high94.2Very high188 Ų18847.7 Ų47.782%0.81724%0.237SC*.SBendtrans-67.5-9.6-170.7-66.8-175.8179.2179.10115.1R1457R1457-K1490 PolarHBondContact NH1-O 2.87Å
1491G93.4Very high94.2Very high14 Ų1442.9 Ų42.914%0.14422%0.218CC..SBendtrans-146.5177.2170.800000110G1458 Q1489 I1507G1458-G1491 WeakPolarHBondContact CA-O 3.31Å; G1458-G1491 PolarHBondContact N-O 2.8Å; G1458-G1491 VanDerWaalsContact N-O 3.09Å; Q1489-G1491 PolarHBondContact O-N 2.82Å; G1491-I1507 WeakPolarHBondContact O-CG2 3.49Å
1492P95.7Very high94.3Very high29 Ų2943.5 Ų43.519%0.18822%0.22CC..  trans-64.6135.3-174.724.6-33.8000112.3N1447 V1456 T1494 I1507 G1508N1447-P1492 VanDerWaalsContact OD1-C 3.3Å; N1447-P1492 WeakPolarHBondContact OD1-CA 3.43Å; N1447-P1492 WeakPolarHBondContact OD1-CB 3.5Å; V1456-P1492 HydrophobicContact CB-CB 4.44Å; V1456-P1492 HydrophobicContact CG1-CB 3.85Å; V1456-P1492 HydrophobicContact CG1-CG 4.46Å; P1492-T1494 HydrophobicContact CB-CG2 4.18Å; P1492-T1494 HydrophobicContact CG-CG2 4.33Å; P1492-I1507 CarbonylContact O-C 3.55Å; P1492-I1507 VanDerWaalsContact O-CA 3.23Å; P1492-I1507 WeakPolarHBondContact O-CA 3.49Å; P1492-G1508 PolarHBondContact O-N 2.97Å
1493V97.1Very high94.4Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-81.3115.3167.7177.40000107.7T1422 N1447 I1460 Q1489 L1496 A1506 I1507T1422-V1493 PolarHBondContact OG1-O 3.02Å; N1447-V1493 PolarHBondContact ND2-O 3.09Å; N1447-V1493 PolarHBondContact OD1-N 2.76Å; N1447-V1493 PolarHBondContact OD1-O 3.01Å; I1460-V1493 HydrophobicContact CD1-CG2 4.21Å; I1460-V1493 HydrophobicContact CG1-CG1 4.25Å; I1460-V1493 HydrophobicContact CG1-CG2 3.63Å; Q1489-V1493 HydrophobicContact CB-CG2 4.1Å; Q1489-V1493 HydrophobicContact CG-CG2 3.88Å; V1493-L1496 HydrophobicContact CG1-CD2 4.03Å; V1493-L1496 HydrophobicContact CG1-CG 4.31Å; V1493-A1506 WeakPolarHBondContact CA-O 3.27Å; V1493-I1507 HydrophobicContact CG2-CG1 4.33Å
1494T95.9Very high94.5Very high3 Ų334.7 Ų34.72%0.01818%0.179CC..EExtended strand (participates in β ladder)trans-111.6-23.1-167.7650000113.8P1492 A1506 Y1532 I1533P1492-T1494 HydrophobicContact CB-CG2 4.18Å; P1492-T1494 HydrophobicContact CG-CG2 4.33Å; T1494-A1506 PolarHBondContact N-O 2.83Å; T1494-A1506 WeakPolarHBondContact OG1-CB 3.43Å; T1494-Y1532 HydrophobicContact CG2-CD1 4.4Å; T1494-Y1532 HydrophobicContact CG2-CD2 3.89Å; T1494-Y1532 HydrophobicContact CG2-CE1 3.92Å; T1494-Y1532 HydrophobicContact CG2-CE2 3.34Å; T1494-Y1532 HydrophobicContact CG2-CG 4.4Å; T1494-I1533 CarbonylContact C-O 3.44Å; T1494-I1533 VanDerWaalsContact CB-O 3.24Å; T1494-I1533 WeakPolarHBondContact CB-O 3.48Å; T1494-I1533 PolarHBondContact OG1-O 3.09Å
1495A96.3Very high94.7Very high4 Ų433.7 Ų33.73%0.03317%0.173CC..EExtended strand (participates in β ladder)trans-162.3151.5174.200000110.5S1505 A1506 L1536A1495-S1505 WeakPolarHBondContact O-CA 3.28Å; A1495-A1506 HydrophobicContact CB-CB 4.3Å; A1495-A1506 PolarHBondContact O-N 2.92Å; A1495-L1536 HydrophobicContact CB-CB 4.22Å; A1495-L1536 HydrophobicContact CB-CD1 4Å; A1495-L1536 HydrophobicContact CB-CG 3.9Å
1496L96.7Very high94.8Very high6 Ų632.7 Ų32.73%0.03117%0.169CC..EExtended strand (participates in β ladder)trans-125.3151.8173.5-63.5176.4000110.6I1425 A1443 V1493 I1504 S1505I1425-L1496 HydrophobicContact CD1-CB 3.65Å; I1425-L1496 HydrophobicContact CG1-CB 4.1Å; A1443-L1496 HydrophobicContact CB-CD1 4.1Å; V1493-L1496 HydrophobicContact CG1-CD2 4.03Å; V1493-L1496 HydrophobicContact CG1-CG 4.31Å; L1496-I1504 CarbonylContact C-O 3.44Å; L1496-I1504 WeakPolarHBondContact CA-O 3.39Å; L1496-S1505 VanDerWaalsContact CD2-CB 3.45Å
1497T95.8Very high94.8Very high16 Ų1630 Ų3010%0.09815%0.154CC..EExtended strand (participates in β ladder)trans-157.1171.1166.2-156.70000110.5I1504 L1536 C1538 V1543T1497-I1504 HydrophobicContact CG2-CB 3.82Å; T1497-I1504 HydrophobicContact CG2-CD1 4.45Å; T1497-I1504 HydrophobicContact CG2-CG1 4.43Å; T1497-I1504 HydrophobicContact CG2-CG2 4.3Å; T1497-I1504 PolarHBondContact N-O 3.24Å; T1497-I1504 PolarHBondContact O-N 3.02Å; T1497-L1536 WeakPolarHBondContact CB-O 3.31Å; T1497-L1536 HydrophobicContact CG2-CB 3.75Å; T1497-L1536 PolarHBondContact OG1-O 2.94Å; T1497-C1538 HydrophobicContact CG2-CB 4.25Å; T1497-V1543 HydrophobicContact CG2-CG1 4.31Å
1498S94.7Very high94.7Very high24 Ų2430 Ų3017%0.16816%0.155CC..EExtended strand (participates in β ladder)trans-119.7147.217657.70000113.1Q1428 H1502 C1538Q1428-S1498 PolarHBondContact N-OG 3.22Å; Q1428-S1498 VanDerWaalsContact N-OG 3.1Å; S1498-H1502 CarbonylContact C-O 3.53Å; S1498-H1502 WeakPolarHBondContact CA-O 3.43Å; S1498-C1538 WeakPolarHBondContact O-CB 3.3Å; S1498-C1538 PolarHBondContact O-SG 3.07Å
1499C93Very high94.7Very high3 Ų328.9 Ų28.92%0.0215%0.149CC..EExtended strand (participates in β ladder)trans-149.3114.3-176-175.40000110.9G1501 H1502 I1504 C1538 K1540C1499-G1501 VanDerWaalsContact C-N 3.28Å; C1499-G1501 PolarHBondContact O-N 3.13Å; C1499-H1502 PolarHBondContact N-O 3.45Å; C1499-H1502 WeakPolarHBondContact O-CB 3.48Å; C1499-H1502 PolarHBondContact O-N 3.45Å; C1499-I1504 HydrophobicContact CB-CD1 3.45Å; C1499-I1504 VanDerWaalsContact CB-CD1 3.45Å; C1499-I1504 HydrophobicContact CB-CG1 4.01Å; C1499-C1538 VanDerWaalsContact CB-SG 3.6Å; C1499-K1540 PolarHBondContact SG-O 3.49Å
1500Q91Very high94.8Very high100 Ų10030.8 Ų30.847%0.46716%0.157SC..THydrogen-bonded Turntrans51.340.4175.6-50.7-172.9-100.200114.3H1502 K1540 N1541Q1500-H1502 VanDerWaalsContact C-N 3.33Å; Q1500-K1540 VanDerWaalsContact CG-O 3.28Å; Q1500-K1540 WeakPolarHBondContact CG-O 3.16Å; Q1500-N1541 VanDerWaalsContact OE1-CB 3.25Å
1501G90.8Very high95Very high5 Ų521.9 Ų21.95%0.05212%0.118CC..BIsolated β-bridgetrans82.62.1-177.100000115.2Q1428 L1429 A1430 C1499Q1428-G1501 WeakPolarHBondContact O-CA 3.32Å; L1429-G1501 WeakPolarHBondContact CA-O 3.38Å; A1430-G1501 PolarHBondContact N-O 2.77Å; C1499-G1501 VanDerWaalsContact C-N 3.28Å; C1499-G1501 PolarHBondContact O-N 3.13Å
1502H94.8Very high95.1Very high34 Ų3424.2 Ų24.216%0.15712%0.123CC..EExtended strand (participates in β ladder)trans-105.5144.8174.6-59-74.6000111.6S1498 C1499 Q1500 I1513 W1514 T1515 F1557S1498-H1502 CarbonylContact C-O 3.53Å; S1498-H1502 WeakPolarHBondContact CA-O 3.43Å; C1499-H1502 PolarHBondContact N-O 3.45Å; C1499-H1502 WeakPolarHBondContact O-CB 3.48Å; C1499-H1502 PolarHBondContact O-N 3.45Å; Q1500-H1502 VanDerWaalsContact C-N 3.33Å; H1502-I1513 HydrophobicContact CB-CG2 3.59Å; H1502-W1514 WeakPolarHBondContact CA-O 3.45Å; H1502-W1514 VanDerWaalsContact CB-O 3.31Å; H1502-W1514 WeakPolarHBondContact CB-O 3.34Å; H1502-T1515 PolarHBondContact CE1-OG1 2.87Å; H1502-T1515 VanDerWaalsContact CE1-OG1 3.29Å; H1502-T1515 PolarHBondContact ND1-OG1 3.24Å; H1502-F1557 AromaticContact CD2-CE1 3.54Å; H1502-F1557 AromaticContact CD2-CZ 3.8Å; H1502-F1557 AromaticContact NE2-CE1 4Å; H1502-F1557 AromaticContact NE2-CZ 3.98Å
1503L96.5Very high95.1Very high0 Ų022.9 Ų22.90%011%0.114CC..EExtended strand (participates in β ladder)trans-80.6139.4168.2-174.869.6000108.9A1427 L1429 A1443 I1460 I1462 I1513 W1514 L1521A1427-L1503 HydrophobicContact CB-CD1 4.16Å; L1429-L1503 HydrophobicContact CD2-CB 3.78Å; L1429-L1503 HydrophobicContact CD2-CD1 4.37Å; A1443-L1503 HydrophobicContact CB-CD1 4.2Å; I1460-L1503 HydrophobicContact CG2-CD2 4.16Å; I1462-L1503 HydrophobicContact CD1-CD2 4.11Å; L1503-I1513 CarbonylContact O-C 3.57Å; L1503-I1513 WeakPolarHBondContact O-CA 3.33Å; L1503-W1514 HydrophobicContact CB-CB 4.4Å; L1503-W1514 PolarHBondContact N-O 3.43Å; L1503-W1514 PolarHBondContact O-N 2.82Å; L1503-L1521 HydrophobicContact CD2-CD1 3.97Å; L1503-L1521 HydrophobicContact CD2-CD2 4.24Å
1504I96.6Very high95Very high0 Ų024.3 Ų24.30%012%0.12CC..EExtended strand (participates in β ladder)trans-118.9129.9171.8-55-168000108.1L1496 T1497 C1499 I1511 Y1512 I1513 L1536 V1543L1496-I1504 CarbonylContact C-O 3.44Å; L1496-I1504 WeakPolarHBondContact CA-O 3.39Å; T1497-I1504 HydrophobicContact CG2-CB 3.82Å; T1497-I1504 HydrophobicContact CG2-CD1 4.45Å; T1497-I1504 HydrophobicContact CG2-CG1 4.43Å; T1497-I1504 HydrophobicContact CG2-CG2 4.3Å; T1497-I1504 PolarHBondContact N-O 3.24Å; T1497-I1504 PolarHBondContact O-N 3.02Å; C1499-I1504 HydrophobicContact CB-CD1 3.45Å; C1499-I1504 VanDerWaalsContact CB-CD1 3.45Å; C1499-I1504 HydrophobicContact CB-CG1 4.01Å; I1504-I1511 HydrophobicContact CG2-CG2 3.48Å; I1504-I1511 VanDerWaalsContact CG2-CG2 3.48Å; I1504-Y1512 VanDerWaalsContact CA-O 3.31Å; I1504-Y1512 WeakPolarHBondContact CA-O 3.41Å; I1504-Y1512 WeakPolarHBondContact CG2-O 3.49Å; I1504-I1513 HydrophobicContact CD1-CD1 4.03Å; I1504-I1513 HydrophobicContact CD1-CG1 4.13Å; I1504-I1513 HydrophobicContact CG1-CD1 4.39Å; I1504-I1513 HydrophobicContact CG1-CG1 4.01Å; I1504-I1513 HydrophobicContact CG1-CG2 4.43Å; I1504-L1536 HydrophobicContact CG2-CD1 4.14Å; I1504-V1543 HydrophobicContact CD1-CG2 3.68Å
1505S96.9Very high95Very high0 Ų025.2 Ų25.20%013%0.125CC..EExtended strand (participates in β ladder)trans-130.2132.7179.766.10000111.5A1495 L1496 I1507 I1511 Y1512 W1514A1495-S1505 WeakPolarHBondContact O-CA 3.28Å; L1496-S1505 VanDerWaalsContact CD2-CB 3.45Å; S1505-I1507 WeakPolarHBondContact OG-CD1 3.18Å; S1505-I1511 WeakPolarHBondContact O-CA 3.43Å; S1505-Y1512 PolarHBondContact N-O 2.84Å; S1505-Y1512 PolarHBondContact O-N 2.89Å; S1505-W1514 PolarHBondContact OG-NE1 2.92Å
1506A97Very high94.8Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-81.2123.8162.100000109.3V1493 T1494 A1495 I1511 I1533 L1536V1493-A1506 WeakPolarHBondContact CA-O 3.27Å; T1494-A1506 PolarHBondContact N-O 2.83Å; T1494-A1506 WeakPolarHBondContact OG1-CB 3.43Å; A1495-A1506 HydrophobicContact CB-CB 4.3Å; A1495-A1506 PolarHBondContact O-N 2.92Å; A1506-I1511 HydrophobicContact CB-CG1 4.34Å; A1506-I1533 HydrophobicContact CB-CB 3.75Å; A1506-I1533 HydrophobicContact CB-CG2 4.07Å; A1506-L1536 HydrophobicContact CB-CD1 4Å
1507I96.1Very high94.6Very high16 Ų1631.8 Ų31.88%0.08215%0.154CC..EExtended strand (participates in β ladder)trans-129.195.6180-55.5178.9000107.8I1460 Q1489 G1491 P1492 V1493 S1505 Q1509 K1510 Y1512 W1514I1460-I1507 HydrophobicContact CD1-CD1 4.33Å; Q1489-I1507 HydrophobicContact CB-CD1 4.19Å; Q1489-I1507 HydrophobicContact CB-CG2 4.2Å; Q1489-I1507 HydrophobicContact CG-CD1 3.95Å; G1491-I1507 WeakPolarHBondContact O-CG2 3.49Å; P1492-I1507 CarbonylContact O-C 3.55Å; P1492-I1507 VanDerWaalsContact O-CA 3.23Å; P1492-I1507 WeakPolarHBondContact O-CA 3.49Å; V1493-I1507 HydrophobicContact CG2-CG1 4.33Å; S1505-I1507 WeakPolarHBondContact OG-CD1 3.18Å; I1507-Q1509 PolarHBondContact O-N 2.99Å; I1507-K1510 PolarHBondContact N-O 2.99Å; I1507-K1510 PolarHBondContact O-N 2.95Å; I1507-Y1512 HydrophobicContact CB-CD2 3.94Å; I1507-Y1512 HydrophobicContact CB-CE2 3.93Å; I1507-Y1512 HydrophobicContact CD1-CD2 3.83Å; I1507-Y1512 HydrophobicContact CD1-CE2 4.25Å; I1507-Y1512 HydrophobicContact CG1-CD2 4.06Å; I1507-Y1512 HydrophobicContact CG1-CE2 4.47Å; I1507-W1514 HydrophobicContact CD1-CZ2 3.86Å
1508G91.6Very high94.1Very high16 Ų1638.3 Ų38.317%0.16519%0.188CC..THydrogen-bonded Turntrans54.7-128.1-169.200000112.6P1492 K1510P1492-G1508 PolarHBondContact O-N 2.97Å; G1508-K1510 PolarHBondContact O-N 3.28Å
1509Q93.3Very high93.8Very high121 Ų12141.3 Ų41.357%0.56521%0.206SC*.THydrogen-bonded Turntrans-8325.4-179.4-65.9172.20.900113.8I1507 S1529I1507-Q1509 PolarHBondContact O-N 2.99Å; Q1509-S1529 VanDerWaalsContact CA-OG 3.32Å; Q1509-S1529 WeakPolarHBondContact CA-OG 3.44Å; Q1509-S1529 PolarHBondContact O-N 2.92Å; Q1509-S1529 PolarHBondContact O-OG 3.35Å
1510K95.3Very high93.8Very high68 Ų6846 Ų4630%0.29623%0.231SC..EExtended strand (participates in β ladder)trans-141145.3178.4-70.4177.2-179-77.10111I1507 G1508 Y1512 V1527 D1528 S1529I1507-K1510 PolarHBondContact N-O 2.99Å; I1507-K1510 PolarHBondContact O-N 2.95Å; G1508-K1510 PolarHBondContact O-N 3.28Å; K1510-Y1512 HydrophobicContact CB-CD2 4.14Å; K1510-Y1512 HydrophobicContact CB-CE2 3.56Å; K1510-Y1512 HydrophobicContact CD-CE2 4.14Å; K1510-Y1512 VanDerWaalsContact CD-OH 3.28Å; K1510-Y1512 WeakPolarHBondContact CD-OH 3.44Å; K1510-V1527 WeakPolarHBondContact CA-O 3.34Å; K1510-D1528 IonicContact NZ-OD1 2.7Å; K1510-D1528 PolarHBondContact NZ-OD1 2.9Å; K1510-S1529 PolarHBondContact N-OG 3.16Å
1511I96.4Very high93.9Very high0 Ų042.2 Ų42.20%021%0.214CC..EExtended strand (participates in β ladder)trans-110.9120.8169.3-59.1163.4000107.6I1504 S1505 A1506 F1526 V1527 I1533 L1536 A1545 L1555 L1564I1504-I1511 HydrophobicContact CG2-CG2 3.48Å; I1504-I1511 VanDerWaalsContact CG2-CG2 3.48Å; S1505-I1511 WeakPolarHBondContact O-CA 3.43Å; A1506-I1511 HydrophobicContact CB-CG1 4.34Å; I1511-F1526 CarbonylContact O-C 3.58Å; I1511-F1526 WeakPolarHBondContact O-CA 3.47Å; I1511-V1527 HydrophobicContact CB-CG1 4.06Å; I1511-V1527 HydrophobicContact CD1-CG1 4.43Å; I1511-V1527 PolarHBondContact N-O 3.38Å; I1511-V1527 PolarHBondContact O-N 3.35Å; I1511-I1533 HydrophobicContact CD1-CG1 4.19Å; I1511-I1533 HydrophobicContact CG1-CG1 4.34Å; I1511-L1536 HydrophobicContact CD1-CD2 4.18Å; I1511-A1545 HydrophobicContact CD1-CB 3.78Å; I1511-L1555 HydrophobicContact CD1-CD1 3.62Å; I1511-L1564 HydrophobicContact CB-CD2 4.44Å; I1511-L1564 HydrophobicContact CG2-CD2 4Å
1512Y95.9Very high94.1Very high64 Ų6445.4 Ų45.425%0.25123%0.232SC..EExtended strand (participates in β ladder)trans-104.1150.5179.3-67.3-93.1000111I1504 S1505 I1507 K1510 W1514 F1526I1504-Y1512 VanDerWaalsContact CA-O 3.31Å; I1504-Y1512 WeakPolarHBondContact CA-O 3.41Å; I1504-Y1512 WeakPolarHBondContact CG2-O 3.49Å; S1505-Y1512 PolarHBondContact N-O 2.84Å; S1505-Y1512 PolarHBondContact O-N 2.89Å; I1507-Y1512 HydrophobicContact CB-CD2 3.94Å; I1507-Y1512 HydrophobicContact CB-CE2 3.93Å; I1507-Y1512 HydrophobicContact CD1-CD2 3.83Å; I1507-Y1512 HydrophobicContact CD1-CE2 4.25Å; I1507-Y1512 HydrophobicContact CG1-CD2 4.06Å; I1507-Y1512 HydrophobicContact CG1-CE2 4.47Å; K1510-Y1512 HydrophobicContact CB-CD2 4.14Å; K1510-Y1512 HydrophobicContact CB-CE2 3.56Å; K1510-Y1512 HydrophobicContact CD-CE2 4.14Å; K1510-Y1512 VanDerWaalsContact CD-OH 3.28Å; K1510-Y1512 WeakPolarHBondContact CD-OH 3.44Å; Y1512-W1514 HydrophobicContact CD1-CZ2 4.21Å; Y1512-W1514 HydrophobicContact CD2-CZ2 4.49Å; Y1512-W1514 AromaticContact CG-CZ2 3.93Å; Y1512-W1514 HydrophobicContact CG-CZ2 3.93Å; Y1512-F1526 HydrophobicContact CD1-CB 3.73Å; Y1512-F1526 HydrophobicContact CE1-CB 3.97Å; Y1512-F1526 HydrophobicContact CE1-CG 4.48Å; Y1512-F1526 HydrophobicContact CG-CB 4.31Å
1513I95.9Very high94Very high0 Ų046.2 Ų46.20%025%0.249CC..EExtended strand (participates in β ladder)trans-115.2132.4167.9-55.2-170.1000108.1H1502 L1503 I1504 V1524 A1525 F1557 L1564H1502-I1513 HydrophobicContact CB-CG2 3.59Å; L1503-I1513 CarbonylContact O-C 3.57Å; L1503-I1513 WeakPolarHBondContact O-CA 3.33Å; I1504-I1513 HydrophobicContact CD1-CD1 4.03Å; I1504-I1513 HydrophobicContact CD1-CG1 4.13Å; I1504-I1513 HydrophobicContact CG1-CD1 4.39Å; I1504-I1513 HydrophobicContact CG1-CG1 4.01Å; I1504-I1513 HydrophobicContact CG1-CG2 4.43Å; I1513-V1524 HydrophobicContact CB-CB 4.42Å; I1513-V1524 HydrophobicContact CG2-CB 4.24Å; I1513-V1524 WeakPolarHBondContact O-CB 3.37Å; I1513-V1524 PolarHBondContact O-N 2.81Å; I1513-A1525 HydrophobicContact CB-CB 4.26Å; I1513-A1525 HydrophobicContact CD1-CB 4.41Å; I1513-A1525 HydrophobicContact CG1-CB 4.42Å; I1513-A1525 PolarHBondContact N-O 2.88Å; I1513-A1525 PolarHBondContact O-N 2.82Å; I1513-F1557 HydrophobicContact CD1-CB 4.24Å; I1513-F1557 HydrophobicContact CD1-CD2 3.26Å; I1513-F1557 HydrophobicContact CD1-CE2 3.65Å; I1513-F1557 HydrophobicContact CD1-CG 3.81Å; I1513-F1557 HydrophobicContact CD1-CZ 4.46Å; I1513-F1557 HydrophobicContact CG2-CE2 4.35Å; I1513-F1557 HydrophobicContact CG2-CZ 4.41Å; I1513-L1564 HydrophobicContact CD1-CB 3.92Å; I1513-L1564 HydrophobicContact CD1-CD1 4.17Å; I1513-L1564 HydrophobicContact CD1-CD2 3.96Å; I1513-L1564 HydrophobicContact CD1-CG 4.23Å; I1513-L1564 HydrophobicContact CG1-CD2 4Å
1514W95.3Very high93.9Very high30 Ų3047.8 Ų47.811%0.11426%0.259CS..EExtended strand (participates in β ladder)trans-123.3147.3-176.9-49.292000111.4H1502 L1503 S1505 I1507 Y1512 L1521 V1522H1502-W1514 WeakPolarHBondContact CA-O 3.45Å; H1502-W1514 VanDerWaalsContact CB-O 3.31Å; H1502-W1514 WeakPolarHBondContact CB-O 3.34Å; L1503-W1514 HydrophobicContact CB-CB 4.4Å; L1503-W1514 PolarHBondContact N-O 3.43Å; L1503-W1514 PolarHBondContact O-N 2.82Å; S1505-W1514 PolarHBondContact OG-NE1 2.92Å; I1507-W1514 HydrophobicContact CD1-CZ2 3.86Å; Y1512-W1514 HydrophobicContact CD1-CZ2 4.21Å; Y1512-W1514 HydrophobicContact CD2-CZ2 4.49Å; Y1512-W1514 AromaticContact CG-CZ2 3.93Å; Y1512-W1514 HydrophobicContact CG-CZ2 3.93Å; W1514-L1521 HydrophobicContact CB-CB 4.22Å; W1514-L1521 HydrophobicContact CB-CD2 3.89Å; W1514-L1521 HydrophobicContact CD2-CB 4.17Å; W1514-L1521 HydrophobicContact CE3-CB 3.88Å; W1514-L1521 HydrophobicContact CG-CB 4.33Å; W1514-V1522 CarbonylContact C-O 3.54Å; W1514-V1522 WeakPolarHBondContact CA-O 3.47Å
1515T94.5Very high93.8Very high22 Ų2248.5 Ų48.514%0.13527%0.265CS..EExtended strand (participates in β ladder)trans-106.6127.2161.7-45.70000108H1502 K1517 V1522 V1524H1502-T1515 PolarHBondContact CE1-OG1 2.87Å; H1502-T1515 VanDerWaalsContact CE1-OG1 3.29Å; H1502-T1515 PolarHBondContact ND1-OG1 3.24Å; T1515-K1517 HydrophobicContact CG2-CG 3.98Å; T1515-K1517 PolarHBondContact O-N 3.38Å; T1515-V1522 PolarHBondContact N-O 2.96Å; T1515-V1522 PolarHBondContact O-N 2.89Å; T1515-V1524 WeakPolarHBondContact OG1-CG2 3.25Å
1516L93.9Very high93.7Very high24 Ų2454 Ų5413%0.12629%0.289CS..EExtended strand (participates in β ladder)trans-69.2124.5167.4-178.463.1000108.7L1429 Y1441 I1462 I1484 D1520 L1521L1429-L1516 HydrophobicContact CD1-CB 4.43Å; L1429-L1516 HydrophobicContact CD1-CD2 4.06Å; Y1441-L1516 HydrophobicContact CE2-CD2 4.37Å; I1462-L1516 HydrophobicContact CD1-CD1 4.41Å; I1484-L1516 HydrophobicContact CG2-CD1 4.18Å; I1484-L1516 HydrophobicContact CG2-CD2 4.04Å; L1516-D1520 CarbonylContact C-O 3.5Å; L1516-D1520 WeakPolarHBondContact CA-O 3.39Å; L1516-L1521 HydrophobicContact CB-CD2 4.3Å; L1516-L1521 HydrophobicContact CD1-CD2 4.26Å
1517K90.9Very high93.6Very high124 Ų12455 Ų5554%0.53930%0.295SS..EExtended strand (participates in β ladder)trans-147123.7178.4-69.7-163.9169.2-149.70109.6T1515 T1519 D1520 V1522T1515-K1517 HydrophobicContact CG2-CG 3.98Å; T1515-K1517 PolarHBondContact O-N 3.38Å; K1517-T1519 VanDerWaalsContact C-N 3.34Å; K1517-T1519 PolarHBondContact O-N 3.08Å; K1517-D1520 PolarHBondContact N-O 3.37Å; K1517-D1520 PolarHBondContact O-N 3.15Å; K1517-V1522 HydrophobicContact CB-CG2 4.21Å
1518N86.3Confident93.6Very high153 Ų15358.7 Ų58.782%0.81832%0.315SS*.THydrogen-bonded Turntrans47.955.1177.9-56.80.2000111.7D1520N1518-D1520 PolarHBondContact O-N 2.94Å
1519T87.5Confident93.5Very high88 Ų8858.6 Ų58.654%0.5431%0.311SS..THydrogen-bonded Turntrans61.4-8.5-173.749.10000117.1I1484 H1485 K1517I1484-T1519 HydrophobicContact CG2-CG2 4.28Å; I1484-T1519 WeakPolarHBondContact O-CB 3.07Å; I1484-T1519 VanDerWaalsContact O-CG2 3.23Å; I1484-T1519 WeakPolarHBondContact O-CG2 3.28Å; H1485-T1519 PolarHBondContact ND1-O 3.04Å; K1517-T1519 VanDerWaalsContact C-N 3.34Å; K1517-T1519 PolarHBondContact O-N 3.08Å
1520D92.5Very high93.3Very high102 Ų10256.2 Ų56.255%0.54530%0.3SS..EExtended strand (participates in β ladder)trans-96148.6178.5-75.3-35.2000113.8L1516 K1517 N1518L1516-D1520 CarbonylContact C-O 3.5Å; L1516-D1520 WeakPolarHBondContact CA-O 3.39Å; K1517-D1520 PolarHBondContact N-O 3.37Å; K1517-D1520 PolarHBondContact O-N 3.15Å; N1518-D1520 PolarHBondContact O-N 2.94Å
1521L93.9Very high93.1Very high19 Ų1956.6 Ų56.610%0.09931%0.305CS..EExtended strand (participates in β ladder)trans-90.5107.2168.7-73.6-179.6000111.2I1460 I1462 L1503 W1514 L1516I1460-L1521 HydrophobicContact CB-CD1 4.39Å; I1460-L1521 HydrophobicContact CD1-CD1 4.32Å; I1460-L1521 HydrophobicContact CG2-CD1 3.88Å; I1462-L1521 HydrophobicContact CD1-CD1 4.09Å; I1462-L1521 HydrophobicContact CD1-CD2 3.75Å; I1462-L1521 HydrophobicContact CD1-CG 4.15Å; L1503-L1521 HydrophobicContact CD2-CD1 3.97Å; L1503-L1521 HydrophobicContact CD2-CD2 4.24Å; W1514-L1521 HydrophobicContact CB-CB 4.22Å; W1514-L1521 HydrophobicContact CB-CD2 3.89Å; W1514-L1521 HydrophobicContact CD2-CB 4.17Å; W1514-L1521 HydrophobicContact CE3-CB 3.88Å; W1514-L1521 HydrophobicContact CG-CB 4.33Å; L1516-L1521 HydrophobicContact CB-CD2 4.3Å; L1516-L1521 HydrophobicContact CD1-CD2 4.26Å
1522V94.3Very high93Very high73 Ų7360.6 Ų60.644%0.44232%0.321SS..EExtended strand (participates in β ladder)trans-95.4117.9179.3-176.70000110.6W1514 T1515 K1517 V1524W1514-V1522 CarbonylContact C-O 3.54Å; W1514-V1522 WeakPolarHBondContact CA-O 3.47Å; T1515-V1522 PolarHBondContact N-O 2.96Å; T1515-V1522 PolarHBondContact O-N 2.89Å; K1517-V1522 HydrophobicContact CB-CG2 4.21Å; V1522-V1524 PolarHBondContact O-N 2.8Å
1523G92.9Very high93.1Very high50 Ų5057.5 Ų57.552%0.51531%0.309SS..EExtended strand (participates in β ladder)trans-63.6125.4179.600000112.9
1524V94.1Very high93Very high34 Ų3460 Ų6021%0.20632%0.32CS..EExtended strand (participates in β ladder)trans-100.8-47.1-177.6-177.80000111.3I1513 T1515 V1522 R1562I1513-V1524 HydrophobicContact CB-CB 4.42Å; I1513-V1524 HydrophobicContact CG2-CB 4.24Å; I1513-V1524 WeakPolarHBondContact O-CB 3.37Å; I1513-V1524 PolarHBondContact O-N 2.81Å; T1515-V1524 WeakPolarHBondContact OG1-CG2 3.25Å; V1522-V1524 PolarHBondContact O-N 2.8Å; V1524-R1562 HydrophobicContact CG1-CB 3.83Å; V1524-R1562 HydrophobicContact CG1-CG 3.89Å
1525A94.7Very high92.9Very high14 Ų1460.1 Ų60.112%0.11632%0.323CS..EExtended strand (participates in β ladder)trans-154.5161.1-173.400000109.9I1513 R1562 L1564I1513-A1525 HydrophobicContact CB-CB 4.26Å; I1513-A1525 HydrophobicContact CD1-CB 4.41Å; I1513-A1525 HydrophobicContact CG1-CB 4.42Å; I1513-A1525 PolarHBondContact N-O 2.88Å; I1513-A1525 PolarHBondContact O-N 2.82Å; A1525-R1562 WeakPolarHBondContact CB-O 3.27Å; A1525-L1564 HydrophobicContact CB-CB 4.36Å
1526F94.7Very high93Very high117 Ų11759.3 Ų59.351%0.51332%0.318SS..EExtended strand (participates in β ladder)trans-144.2162166.469.1-88.4000111I1511 Y1512I1511-F1526 CarbonylContact O-C 3.58Å; I1511-F1526 WeakPolarHBondContact O-CA 3.47Å; Y1512-F1526 HydrophobicContact CD1-CB 3.73Å; Y1512-F1526 HydrophobicContact CE1-CB 3.97Å; Y1512-F1526 HydrophobicContact CE1-CG 4.48Å; Y1512-F1526 HydrophobicContact CG-CB 4.31Å
1527V95.4Very high93Very high20 Ų2060 Ų6012%0.12132%0.321CS..EExtended strand (participates in β ladder)trans-139.2148.2164.972.30000109.1K1510 I1511 L1555 L1564 V1566K1510-V1527 WeakPolarHBondContact CA-O 3.34Å; I1511-V1527 HydrophobicContact CB-CG1 4.06Å; I1511-V1527 HydrophobicContact CD1-CG1 4.43Å; I1511-V1527 PolarHBondContact N-O 3.38Å; I1511-V1527 PolarHBondContact O-N 3.35Å; V1527-L1555 HydrophobicContact CG1-CD1 4.1Å; V1527-L1564 HydrophobicContact CB-CD2 4.18Å; V1527-L1564 HydrophobicContact CB-CG 4.16Å; V1527-L1564 HydrophobicContact CG1-CD2 3.55Å; V1527-L1564 HydrophobicContact CG1-CG 3.85Å; V1527-V1566 HydrophobicContact CG2-CG2 3.96Å
1528D95.2Very high93.2Very high93 Ų9355.3 Ų55.350%0.49730%0.304SS..EExtended strand (participates in β ladder)trans-79.8137176.1-55.9-45.6000110.4K1510K1510-D1528 IonicContact NZ-OD1 2.7Å; K1510-D1528 PolarHBondContact NZ-OD1 2.9Å
1529S91.6Very high93.4Very high14 Ų1449.9 Ų49.910%0.09828%0.276CS..  trans-106.7175.4173.460.80000110.9Q1509 K1510Q1509-S1529 VanDerWaalsContact CA-OG 3.32Å; Q1509-S1529 WeakPolarHBondContact CA-OG 3.44Å; Q1509-S1529 PolarHBondContact O-N 2.92Å; Q1509-S1529 PolarHBondContact O-OG 3.35Å; K1510-S1529 PolarHBondContact N-OG 3.16Å
1530E87.7Confident93.4Very high72 Ų7253.6 Ų53.634%0.33629%0.285SS..SBendtrans-90.8-45.1-172.1-72.9-177-139.800114.8K1550 Q1553 R1569E1530-K1550 HydrophobicContact CB-CB 4.21Å; E1530-K1550 HydrophobicContact CB-CG 3.83Å; E1530-K1550 WeakPolarHBondContact OE2-CD 3.48Å; E1530-K1550 WeakPolarHBondContact OE2-CG 3.48Å; E1530-Q1553 PolarHBondContact OE1-NE2 3.46Å; E1530-R1569 IonicContact OE1-CZ 2.68Å; E1530-R1569 IonicContact OE1-NE 3.73Å; E1530-R1569 IonicContact OE1-NH1 3.74Å; E1530-R1569 PolarHBondContact OE1-NH1 3.12Å
1531L92Very high93.4Very high76 Ų7651 Ų5140%0.39827%0.271SS..SBendtrans-140.3-69.4-179.5-172.972.2000113.7D1547 L1549L1531-D1547 WeakPolarHBondContact CA-OD2 3.32Å; L1531-D1547 PolarHBondContact N-OD2 2.93Å; L1531-L1549 HydrophobicContact CD2-CB 3.99Å; L1531-L1549 HydrophobicContact CD2-CD1 3.64Å; L1531-L1549 HydrophobicContact CD2-CG 4.39Å
1532Y94.5Very high93.4Very high83 Ų8352 Ų5233%0.32528%0.276SS..  trans-156.1116.9-173.7-172.2-75.7000109.7T1494 H1534 D1547 V1548T1494-Y1532 HydrophobicContact CG2-CD1 4.4Å; T1494-Y1532 HydrophobicContact CG2-CD2 3.89Å; T1494-Y1532 HydrophobicContact CG2-CE1 3.92Å; T1494-Y1532 HydrophobicContact CG2-CE2 3.34Å; T1494-Y1532 HydrophobicContact CG2-CG 4.4Å; Y1532-H1534 HydrophobicContact CD1-CB 4.2Å; Y1532-H1534 HydrophobicContact CE1-CB 4.02Å; Y1532-D1547 PolarHBondContact N-OD2 3.27Å; Y1532-D1547 CarbonylContact O-C 3.5Å; Y1532-D1547 VanDerWaalsContact O-CA 3.29Å; Y1532-D1547 WeakPolarHBondContact O-CA 3.41Å; Y1532-V1548 HydrophobicContact CD1-CG2 3.6Å; Y1532-V1548 HydrophobicContact CE1-CG2 4.36Å; Y1532-V1548 HydrophobicContact CG-CG2 4.33Å; Y1532-V1548 PolarHBondContact O-N 2.86Å
1533I96.2Very high93.5Very high0 Ų048.5 Ų48.50%026%0.255CS..EExtended strand (participates in β ladder)trans-96.9101.8-178.1-55.2-58.9000109.5T1494 A1506 I1511 N1535 L1536 A1545 A1546 D1547T1494-I1533 CarbonylContact C-O 3.44Å; T1494-I1533 VanDerWaalsContact CB-O 3.24Å; T1494-I1533 WeakPolarHBondContact CB-O 3.48Å; T1494-I1533 PolarHBondContact OG1-O 3.09Å; A1506-I1533 HydrophobicContact CB-CB 3.75Å; A1506-I1533 HydrophobicContact CB-CG2 4.07Å; I1511-I1533 HydrophobicContact CD1-CG1 4.19Å; I1511-I1533 HydrophobicContact CG1-CG1 4.34Å; I1533-N1535 WeakPolarHBondContact CG2-O 3.46Å; I1533-L1536 HydrophobicContact CG2-CD2 3.85Å; I1533-L1536 HydrophobicContact CG2-CG 3.92Å; I1533-A1545 HydrophobicContact CD1-CB 4.27Å; I1533-A1545 HydrophobicContact CG2-CB 4.04Å; I1533-A1546 WeakPolarHBondContact CA-O 3.33Å; I1533-D1547 HydrophobicContact CD1-CB 3.75Å
1534H94.5Very high93.7Very high52 Ų5246.1 Ų46.124%0.24123%0.231CC..EExtended strand (participates in β ladder)trans-85.6-13.1-177.773.2-83.9000113.4Y1532 A1546 V1548 V1576Y1532-H1534 HydrophobicContact CD1-CB 4.2Å; Y1532-H1534 HydrophobicContact CE1-CB 4.02Å; H1534-A1546 PolarHBondContact CE1-O 3.03Å; H1534-A1546 PolarHBondContact N-O 3.29Å; H1534-A1546 PolarHBondContact ND1-O 2.86Å; H1534-A1546 VanDerWaalsContact NE2-CB 3.26Å; H1534-A1546 WeakPolarHBondContact NE2-CB 3.35Å; H1534-V1548 HydrophobicContact CB-CG2 3.82Å; H1534-V1548 WeakPolarHBondContact CE1-CA 3.16Å; H1534-V1548 WeakPolarHBondContact CE1-CG2 3.39Å; H1534-V1548 PolarHBondContact CE1-N 3.02Å; H1534-V1576 WeakPolarHBondContact NE2-CB 3.18Å; H1534-V1576 WeakPolarHBondContact NE2-CG1 3.36Å; H1534-V1576 PolarHBondContact NE2-O 3.24Å
1535N94Very high93.8Very high33 Ų3344.5 Ų44.518%0.17622%0.221CC..EExtended strand (participates in β ladder)trans-149.9134.7-177.1-175-5.6000110.8I1533 A1546I1533-N1535 WeakPolarHBondContact CG2-O 3.46Å; N1535-A1546 HydrophobicContact CB-CB 4.21Å; N1535-A1546 PolarHBondContact O-N 3.34Å
1536L95.3Very high93.8Very high4 Ų443.9 Ų43.92%0.02122%0.216CC..EExtended strand (participates in β ladder)trans-128.9121.7177.9-77.1173.2000109.2A1495 T1497 I1504 A1506 I1511 I1533 V1543 A1545A1495-L1536 HydrophobicContact CB-CB 4.22Å; A1495-L1536 HydrophobicContact CB-CD1 4Å; A1495-L1536 HydrophobicContact CB-CG 3.9Å; T1497-L1536 WeakPolarHBondContact CB-O 3.31Å; T1497-L1536 HydrophobicContact CG2-CB 3.75Å; T1497-L1536 PolarHBondContact OG1-O 2.94Å; I1504-L1536 HydrophobicContact CG2-CD1 4.14Å; A1506-L1536 HydrophobicContact CB-CD1 4Å; I1511-L1536 HydrophobicContact CD1-CD2 4.18Å; I1533-L1536 HydrophobicContact CG2-CD2 3.85Å; I1533-L1536 HydrophobicContact CG2-CG 3.92Å; L1536-V1543 HydrophobicContact CD2-CG1 4.07Å; L1536-A1545 HydrophobicContact CD2-CB 3.74Å
1537L95Very high93.8Very high38 Ų3838.3 Ų38.320%0.19919%0.191CC..EExtended strand (participates in β ladder)trans-124.7130.4177-64177.4000111.2V1543 L1544 S1579 N1580 F1581L1537-V1543 CarbonylContact O-C 3.55Å; L1537-V1543 WeakPolarHBondContact O-CA 3.31Å; L1537-L1544 PolarHBondContact N-O 2.95Å; L1537-L1544 PolarHBondContact O-N 2.71Å; L1537-S1579 WeakPolarHBondContact CD1-O 3.22Å; L1537-N1580 HydrophobicContact CD1-CB 4.41Å; L1537-F1581 HydrophobicContact CB-CD2 4.22Å; L1537-F1581 HydrophobicContact CB-CE2 3.6Å; L1537-F1581 HydrophobicContact CB-CZ 4.34Å; L1537-F1581 WeakPolarHBondContact O-CE2 3.45Å; L1537-F1581 WeakPolarHBondContact O-CZ 3.37Å
1538C94.3Very high93.8Very high26 Ų2639.7 Ų39.718%0.17620%0.2CC..EExtended strand (participates in β ladder)trans-106140.3178.1-173.40000112.3T1497 S1498 C1499 L1542T1497-C1538 HydrophobicContact CG2-CB 4.25Å; S1498-C1538 WeakPolarHBondContact O-CB 3.3Å; S1498-C1538 PolarHBondContact O-SG 3.07Å; C1499-C1538 VanDerWaalsContact CB-SG 3.6Å; C1538-L1542 WeakPolarHBondContact CA-O 3.39Å
1539V90.2Very high93.6Very high39 Ų3938.5 Ų38.524%0.23619%0.193CC..EExtended strand (participates in β ladder)trans-133.1111.5160164.70000108.4N1541 L1542 F1581V1539-N1541 PolarHBondContact O-N 2.88Å; V1539-L1542 PolarHBondContact N-O 2.89Å; V1539-L1542 PolarHBondContact O-N 3.33Å; V1539-F1581 HydrophobicContact CB-CD2 4.34Å; V1539-F1581 HydrophobicContact CB-CE2 4.05Å; V1539-F1581 HydrophobicContact CB-CZ 4.16Å; V1539-F1581 HydrophobicContact CG2-CD1 4.45Å; V1539-F1581 HydrophobicContact CG2-CD2 3.43Å; V1539-F1581 VanDerWaalsContact CG2-CD2 3.43Å; V1539-F1581 HydrophobicContact CG2-CE2 3.53Å; V1539-F1581 HydrophobicContact CG2-CG 3.91Å; V1539-F1581 HydrophobicContact CG2-CZ 4.11Å
1540K89Confident93.7Very high166 Ų16641.3 Ų41.372%0.72220%0.203SC*.THydrogen-bonded Turntrans59.8-88.2-176.9-58.5-174.2177-171.30113.2C1499 Q1500C1499-K1540 PolarHBondContact SG-O 3.49Å; Q1500-K1540 VanDerWaalsContact CG-O 3.28Å; Q1500-K1540 WeakPolarHBondContact CG-O 3.16Å
1541N92.3Very high93.9Very high47 Ų4737.9 Ų37.925%0.25119%0.187SC..THydrogen-bonded Turntrans-132.68.8178.272.5-31.9000113Q1500 V1539 R1556 F1557Q1500-N1541 VanDerWaalsContact OE1-CB 3.25Å; V1539-N1541 PolarHBondContact O-N 2.88Å; N1541-R1556 WeakPolarHBondContact O-CA 3.47Å; N1541-F1557 PolarHBondContact ND2-O 2.93Å; N1541-F1557 PolarHBondContact O-N 2.83Å
1542L94.5Very high94Very high40 Ų4034.2 Ų34.221%0.20917%0.168CC..EExtended strand (participates in β ladder)trans-99134.4169.4-63.4179.3000108.8C1538 V1539 L1554 L1555 R1556 L1588C1538-L1542 WeakPolarHBondContact CA-O 3.39Å; V1539-L1542 PolarHBondContact N-O 2.89Å; V1539-L1542 PolarHBondContact O-N 3.33Å; L1542-L1554 HydrophobicContact CB-CD1 4.29Å; L1542-L1555 WeakPolarHBondContact CA-O 3.48Å; L1542-R1556 HydrophobicContact CD2-CB 3.94Å; L1542-R1556 HydrophobicContact CD2-CG 4.21Å; L1542-L1588 HydrophobicContact CD1-CD2 4.18Å
1543V95.7Very high94Very high1 Ų130.6 Ų30.61%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-123.2123.9178.6-174.50000108.1T1497 I1504 L1536 L1537 L1555T1497-V1543 HydrophobicContact CG2-CG1 4.31Å; I1504-V1543 HydrophobicContact CD1-CG2 3.68Å; L1536-V1543 HydrophobicContact CD2-CG1 4.07Å; L1537-V1543 CarbonylContact O-C 3.55Å; L1537-V1543 WeakPolarHBondContact O-CA 3.31Å; V1543-L1555 HydrophobicContact CB-CB 4.28Å; V1543-L1555 PolarHBondContact N-O 3.37Å; V1543-L1555 PolarHBondContact O-N 2.69Å
1544L96Very high94Very high0 Ų030.8 Ų30.80%016%0.155CC..EExtended strand (participates in β ladder)trans-93.3117.7171.5-172.368000107.7L1537 V1552 F1581 F1590L1537-L1544 PolarHBondContact N-O 2.95Å; L1537-L1544 PolarHBondContact O-N 2.71Å; L1544-V1552 HydrophobicContact CD1-CB 3.87Å; L1544-V1552 HydrophobicContact CD1-CG1 4.41Å; L1544-V1552 HydrophobicContact CD1-CG2 4.15Å; L1544-F1581 HydrophobicContact CB-CE1 3.98Å; L1544-F1581 HydrophobicContact CB-CZ 3.77Å; L1544-F1590 HydrophobicContact CD1-CB 4.04Å; L1544-F1590 HydrophobicContact CD1-CD1 4.03Å; L1544-F1590 HydrophobicContact CD1-CG 4.2Å; L1544-F1590 HydrophobicContact CD2-CB 4.24Å; L1544-F1590 HydrophobicContact CD2-CD1 4.49Å
1545A96.2Very high94.1Very high0 Ų028.3 Ų28.30%014%0.144CC..EExtended strand (participates in β ladder)trans-105.9124.3173.700000109.1I1511 I1533 L1536 V1552 Q1553 L1555I1511-A1545 HydrophobicContact CD1-CB 3.78Å; I1533-A1545 HydrophobicContact CD1-CB 4.27Å; I1533-A1545 HydrophobicContact CG2-CB 4.04Å; L1536-A1545 HydrophobicContact CD2-CB 3.74Å; A1545-V1552 WeakPolarHBondContact O-CA 3.45Å; A1545-Q1553 PolarHBondContact N-O 2.7Å; A1545-Q1553 PolarHBondContact O-N 2.96Å; A1545-L1555 HydrophobicContact CB-CD1 4.21Å
1546A95.8Very high94.1Very high0 Ų032 Ų320%016%0.155CC..EExtended strand (participates in β ladder)trans-101.5114.8176.500000110.2I1533 H1534 N1535 V1552 V1576I1533-A1546 WeakPolarHBondContact CA-O 3.33Å; H1534-A1546 PolarHBondContact CE1-O 3.03Å; H1534-A1546 PolarHBondContact N-O 3.29Å; H1534-A1546 PolarHBondContact ND1-O 2.86Å; H1534-A1546 VanDerWaalsContact NE2-CB 3.26Å; H1534-A1546 WeakPolarHBondContact NE2-CB 3.35Å; N1535-A1546 HydrophobicContact CB-CB 4.21Å; N1535-A1546 PolarHBondContact O-N 3.34Å; A1546-V1552 HydrophobicContact CB-CG1 4.08Å; A1546-V1576 HydrophobicContact CB-CG1 4.08Å
1547D95.4Very high94.1Very high0 Ų031.8 Ų31.80%015%0.154CC..EExtended strand (participates in β ladder)trans-86.2140.3173-171.7-77.8000109.8L1531 Y1532 I1533 L1549 K1550 S1551L1531-D1547 WeakPolarHBondContact CA-OD2 3.32Å; L1531-D1547 PolarHBondContact N-OD2 2.93Å; Y1532-D1547 PolarHBondContact N-OD2 3.27Å; Y1532-D1547 CarbonylContact O-C 3.5Å; Y1532-D1547 VanDerWaalsContact O-CA 3.29Å; Y1532-D1547 WeakPolarHBondContact O-CA 3.41Å; I1533-D1547 HydrophobicContact CD1-CB 3.75Å; D1547-L1549 PolarHBondContact O-N 3.23Å; D1547-L1549 PolarHBondContact OD1-N 3.24Å; D1547-K1550 HydrophobicContact CB-CB 3.78Å; D1547-K1550 WeakPolarHBondContact OD1-CB 3.46Å; D1547-K1550 PolarHBondContact OD1-N 2.99Å; D1547-S1551 PolarHBondContact N-O 3.14Å
1548V93.6Very high94.1Very high50 Ų5032.8 Ų32.830%0.30316%0.158SC..SBendtrans-58.4-30.7-178.2170.90000112.6Y1532 H1534 E1575 V1576Y1532-V1548 HydrophobicContact CD1-CG2 3.6Å; Y1532-V1548 HydrophobicContact CE1-CG2 4.36Å; Y1532-V1548 HydrophobicContact CG-CG2 4.33Å; Y1532-V1548 PolarHBondContact O-N 2.86Å; H1534-V1548 HydrophobicContact CB-CG2 3.82Å; H1534-V1548 WeakPolarHBondContact CE1-CA 3.16Å; H1534-V1548 WeakPolarHBondContact CE1-CG2 3.39Å; H1534-V1548 PolarHBondContact CE1-N 3.02Å; V1548-E1575 WeakPolarHBondContact O-CA 3.48Å; V1548-V1576 PolarHBondContact O-N 3.03Å
1549L92.3Very high93.8Very high68 Ų6833.6 Ų33.636%0.35616%0.164SC..SBendtrans-125.6-16.3-178.8-89.8157.9000114.1L1531 D1547 S1573 R1574 E1575L1531-L1549 HydrophobicContact CD2-CB 3.99Å; L1531-L1549 HydrophobicContact CD2-CD1 3.64Å; L1531-L1549 HydrophobicContact CD2-CG 4.39Å; D1547-L1549 PolarHBondContact O-N 3.23Å; D1547-L1549 PolarHBondContact OD1-N 3.24Å; L1549-S1573 CarbonylContact O-C 3.54Å; L1549-S1573 WeakPolarHBondContact O-CA 3.47Å; L1549-S1573 WeakPolarHBondContact O-CB 3.41Å; L1549-R1574 CarbonylContact C-O 3.51Å; L1549-R1574 PolarHBondContact O-N 2.93Å; L1549-R1574 VanDerWaalsContact O-N 3.07Å; L1549-E1575 HydrophobicContact CD2-CG 3.51Å; L1549-E1575 HydrophobicContact CG-CG 4.13Å
1550K92.5Very high93.8Very high72 Ų7238.7 Ų38.731%0.31319%0.19SC..BIsolated β-bridgetrans-104.426.4-174.9-58.6-63.6-177.8-176.50114.6E1530 D1547 S1573E1530-K1550 HydrophobicContact CB-CB 4.21Å; E1530-K1550 HydrophobicContact CB-CG 3.83Å; E1530-K1550 WeakPolarHBondContact OE2-CD 3.48Å; E1530-K1550 WeakPolarHBondContact OE2-CG 3.48Å; D1547-K1550 HydrophobicContact CB-CB 3.78Å; D1547-K1550 WeakPolarHBondContact OD1-CB 3.46Å; D1547-K1550 PolarHBondContact OD1-N 2.99Å; K1550-S1573 WeakPolarHBondContact CD-OG 3.37Å; K1550-S1573 PolarHBondContact NZ-OG 2.77Å
1551S92.3Very high93.8Very high0 Ų036.5 Ų36.50%019%0.185CC..  trans57.8-141.7177.9-172.10000110.2D1547 D1570 I1572D1547-S1551 PolarHBondContact N-O 3.14Å; S1551-D1570 WeakPolarHBondContact OG-CB 3.47Å; S1551-D1570 PolarHBondContact OG-OD2 3.23Å; S1551-D1570 VanDerWaalsContact OG-OD2 3.07Å; S1551-I1572 VanDerWaalsContact CB-O 3.28Å; S1551-I1572 WeakPolarHBondContact CB-O 3.47Å
1552V94.5Very high93.7Very high0 Ų042.6 Ų42.60%021%0.205CC..EExtended strand (participates in β ladder)trans-114.3144.1-177.6-63.60000114.4L1544 A1545 A1546 R1569 D1570 V1592 L1617L1544-V1552 HydrophobicContact CD1-CB 3.87Å; L1544-V1552 HydrophobicContact CD1-CG1 4.41Å; L1544-V1552 HydrophobicContact CD1-CG2 4.15Å; A1545-V1552 WeakPolarHBondContact O-CA 3.45Å; A1546-V1552 HydrophobicContact CB-CG1 4.08Å; V1552-R1569 WeakPolarHBondContact O-CA 3.39Å; V1552-D1570 PolarHBondContact O-N 2.99Å; V1552-V1592 HydrophobicContact CB-CG2 4.26Å; V1552-V1592 HydrophobicContact CG1-CB 4.48Å; V1552-V1592 HydrophobicContact CG1-CG1 4.08Å; V1552-V1592 HydrophobicContact CG1-CG2 3.55Å; V1552-V1592 HydrophobicContact CG2-CG2 3.65Å; V1552-L1617 HydrophobicContact CG2-CD1 3.86Å
1553Q95Very high93.6Very high7 Ų743.9 Ų43.93%0.03321%0.214CC..EExtended strand (participates in β ladder)trans-114.4130.4173-55.8-171.7-0.700109.9E1530 A1545 L1555 R1569E1530-Q1553 PolarHBondContact OE1-NE2 3.46Å; A1545-Q1553 PolarHBondContact N-O 2.7Å; A1545-Q1553 PolarHBondContact O-N 2.96Å; Q1553-L1555 HydrophobicContact CB-CD2 4.38Å; Q1553-R1569 HydrophobicContact CB-CB 4.41Å; Q1553-R1569 HydrophobicContact CG-CB 4.07Å
1554L95.8Very high93.5Very high3 Ų344.3 Ų44.32%0.01622%0.216CC..EExtended strand (participates in β ladder)trans-96.3113.6173.7178.864.9000109.2L1542 V1567 S1568 F1590 Y1604 L1617L1542-L1554 HydrophobicContact CB-CD1 4.29Å; L1554-V1567 HydrophobicContact CD2-CB 4.38Å; L1554-V1567 HydrophobicContact CD2-CG1 4.28Å; L1554-V1567 HydrophobicContact CG-CB 4.29Å; L1554-V1567 WeakPolarHBondContact O-CB 3.48Å; L1554-V1567 PolarHBondContact O-N 3Å; L1554-S1568 PolarHBondContact N-O 2.81Å; L1554-S1568 PolarHBondContact O-N 3.03Å; L1554-F1590 HydrophobicContact CD1-CD1 4.29Å; L1554-F1590 HydrophobicContact CD1-CE1 3.61Å; L1554-F1590 HydrophobicContact CD1-CZ 3.82Å; L1554-F1590 HydrophobicContact CD2-CE1 4.26Å; L1554-F1590 HydrophobicContact CD2-CE2 3.89Å; L1554-F1590 HydrophobicContact CD2-CZ 3.58Å; L1554-F1590 HydrophobicContact CG-CZ 4.3Å; L1554-Y1604 HydrophobicContact CD2-CD2 4.31Å; L1554-Y1604 HydrophobicContact CD2-CG 4.21Å; L1554-L1617 HydrophobicContact CB-CD2 4.47Å; L1554-L1617 HydrophobicContact CD2-CD2 4.34Å
1555L95.5Very high93.4Very high0 Ų045.9 Ų45.90%023%0.227CC..EExtended strand (participates in β ladder)trans-105156177.8-45176.3000110.4I1511 V1527 L1542 V1543 A1545 Q1553 L1564 S1565 V1566I1511-L1555 HydrophobicContact CD1-CD1 3.62Å; V1527-L1555 HydrophobicContact CG1-CD1 4.1Å; L1542-L1555 WeakPolarHBondContact CA-O 3.48Å; V1543-L1555 HydrophobicContact CB-CB 4.28Å; V1543-L1555 PolarHBondContact N-O 3.37Å; V1543-L1555 PolarHBondContact O-N 2.69Å; A1545-L1555 HydrophobicContact CB-CD1 4.21Å; Q1553-L1555 HydrophobicContact CB-CD2 4.38Å; L1555-L1564 HydrophobicContact CB-CD1 3.79Å; L1555-L1564 HydrophobicContact CD1-CD1 4.32Å; L1555-L1564 HydrophobicContact CD1-CD2 4.29Å; L1555-L1564 HydrophobicContact CD1-CG 4.48Å; L1555-S1565 CarbonylContact C-O 3.56Å; L1555-S1565 VanDerWaalsContact CA-O 3.25Å; L1555-S1565 WeakPolarHBondContact CA-O 3.45Å; L1555-V1566 HydrophobicContact CD2-CB 4.19Å; L1555-V1566 HydrophobicContact CD2-CG1 4.29Å; L1555-V1566 HydrophobicContact CD2-CG2 3.76Å
1556R95.5Very high93.3Very high111 Ų11149.3 Ų49.342%0.41925%0.248SC..EExtended strand (participates in β ladder)trans-130.4126.7170.4174.8175.8173.4-173.2-1.8110.3N1541 L1542 Q1558 S1565 V1567N1541-R1556 WeakPolarHBondContact O-CA 3.47Å; L1542-R1556 HydrophobicContact CD2-CB 3.94Å; L1542-R1556 HydrophobicContact CD2-CG 4.21Å; R1556-Q1558 HydrophobicContact CG-CG 4.33Å; R1556-S1565 PolarHBondContact N-O 3.01Å; R1556-S1565 PolarHBondContact O-N 3.08Å; R1556-S1565 PolarHBondContact O-OG 2.81Å; R1556-V1567 HydrophobicContact CB-CG2 3.36Å
1557F95.3Very high93.2Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-84.2144.7166.7-177.8-128.6000110.4H1502 I1513 N1541 L1564H1502-F1557 AromaticContact CD2-CE1 3.54Å; H1502-F1557 AromaticContact CD2-CZ 3.8Å; H1502-F1557 AromaticContact NE2-CE1 4Å; H1502-F1557 AromaticContact NE2-CZ 3.98Å; I1513-F1557 HydrophobicContact CD1-CB 4.24Å; I1513-F1557 HydrophobicContact CD1-CD2 3.26Å; I1513-F1557 HydrophobicContact CD1-CE2 3.65Å; I1513-F1557 HydrophobicContact CD1-CG 3.81Å; I1513-F1557 HydrophobicContact CD1-CZ 4.46Å; I1513-F1557 HydrophobicContact CG2-CE2 4.35Å; I1513-F1557 HydrophobicContact CG2-CZ 4.41Å; N1541-F1557 PolarHBondContact ND2-O 2.93Å; N1541-F1557 PolarHBondContact O-N 2.83Å; F1557-L1564 HydrophobicContact CB-CD1 4.43Å
1558Q93.5Very high93.2Very high59 Ų5951.1 Ų51.128%0.27626%0.259SS..EExtended strand (participates in β ladder)trans-129.896.3172.2-61.2-175.78.200107.5R1556 D1560 L1561 R1562 V1563R1556-Q1558 HydrophobicContact CG-CG 4.33Å; Q1558-D1560 PolarHBondContact O-N 2.84Å; Q1558-L1561 HydrophobicContact CB-CB 4.49Å; Q1558-L1561 PolarHBondContact O-N 2.63Å; Q1558-R1562 WeakPolarHBondContact O-CA 3.28Å; Q1558-R1562 PolarHBondContact O-N 3.39Å; Q1558-V1563 PolarHBondContact N-O 2.96Å; Q1558-V1563 PolarHBondContact O-N 2.8Å
1559S88.4Confident93.2Very high42 Ų4253.5 Ų53.529%0.29426%0.262SS..THydrogen-bonded Turntrans-44.3-48.6178.240.30000112.5L1561 R1562S1559-L1561 VanDerWaalsContact C-N 3.33Å; S1559-L1561 PolarHBondContact O-N 3.04Å; S1559-R1562 WeakPolarHBondContact O-CG 3.31Å; S1559-R1562 PolarHBondContact O-N 2.82Å; S1559-R1562 VanDerWaalsContact O-N 3.17Å
1560D89.8Confident93.1Very high147 Ų14750.3 Ų50.379%0.78625%0.246SC*.THydrogen-bonded Turntrans-71.2-31-167.3-36.8-23.2000111.9Q1558Q1558-D1560 PolarHBondContact O-N 2.84Å
1561L90.2Very high92.8Very high119 Ų11950.8 Ų50.862%0.62325%0.252SS*.THydrogen-bonded Turntrans-97.3-11.2175.3-59-171.6000113.1Q1558 S1559 V1563Q1558-L1561 HydrophobicContact CB-CB 4.49Å; Q1558-L1561 PolarHBondContact O-N 2.63Å; S1559-L1561 VanDerWaalsContact C-N 3.33Å; S1559-L1561 PolarHBondContact O-N 3.04Å; L1561-V1563 VanDerWaalsContact C-N 3.28Å; L1561-V1563 HydrophobicContact CB-CB 4.44Å; L1561-V1563 HydrophobicContact CB-CG2 4.11Å; L1561-V1563 PolarHBondContact O-N 2.67Å
1562R90Very high92.5Very high176 Ų17652 Ų5266%0.66426%0.258SS*.THydrogen-bonded Turntrans53.642.1-170.6-59.5179.3-177.8178.13.1112.9V1524 A1525 Q1558 S1559V1524-R1562 HydrophobicContact CG1-CB 3.83Å; V1524-R1562 HydrophobicContact CG1-CG 3.89Å; A1525-R1562 WeakPolarHBondContact CB-O 3.27Å; Q1558-R1562 WeakPolarHBondContact O-CA 3.28Å; Q1558-R1562 PolarHBondContact O-N 3.39Å; S1559-R1562 WeakPolarHBondContact O-CG 3.31Å; S1559-R1562 PolarHBondContact O-N 2.82Å; S1559-R1562 VanDerWaalsContact O-N 3.17Å
1563V93Very high92.2Very high66 Ų6654.2 Ų54.240%0.427%0.274SS..EExtended strand (participates in β ladder)trans-116.4132.6179.3175.30000110.5Q1558 L1561Q1558-V1563 PolarHBondContact N-O 2.96Å; Q1558-V1563 PolarHBondContact O-N 2.8Å; L1561-V1563 VanDerWaalsContact C-N 3.28Å; L1561-V1563 HydrophobicContact CB-CB 4.44Å; L1561-V1563 HydrophobicContact CB-CG2 4.11Å; L1561-V1563 PolarHBondContact O-N 2.67Å
1564L93.7Very high91.9Very high10 Ų1054.3 Ų54.35%0.05227%0.274CS..EExtended strand (participates in β ladder)trans-98.7129.2162.6-177.755.6000108.1I1511 I1513 A1525 V1527 L1555 F1557I1511-L1564 HydrophobicContact CB-CD2 4.44Å; I1511-L1564 HydrophobicContact CG2-CD2 4Å; I1513-L1564 HydrophobicContact CD1-CB 3.92Å; I1513-L1564 HydrophobicContact CD1-CD1 4.17Å; I1513-L1564 HydrophobicContact CD1-CD2 3.96Å; I1513-L1564 HydrophobicContact CD1-CG 4.23Å; I1513-L1564 HydrophobicContact CG1-CD2 4Å; A1525-L1564 HydrophobicContact CB-CB 4.36Å; V1527-L1564 HydrophobicContact CB-CD2 4.18Å; V1527-L1564 HydrophobicContact CB-CG 4.16Å; V1527-L1564 HydrophobicContact CG1-CD2 3.55Å; V1527-L1564 HydrophobicContact CG1-CG 3.85Å; L1555-L1564 HydrophobicContact CB-CD1 3.79Å; L1555-L1564 HydrophobicContact CD1-CD1 4.32Å; L1555-L1564 HydrophobicContact CD1-CD2 4.29Å; L1555-L1564 HydrophobicContact CD1-CG 4.48Å; F1557-L1564 HydrophobicContact CB-CD1 4.43Å
1565S93.8Very high91.7Very high34 Ų3457.9 Ų57.924%0.23829%0.291CS..EExtended strand (participates in β ladder)trans-134137.7-170.557.10000112L1555 R1556 V1567L1555-S1565 CarbonylContact C-O 3.56Å; L1555-S1565 VanDerWaalsContact CA-O 3.25Å; L1555-S1565 WeakPolarHBondContact CA-O 3.45Å; R1556-S1565 PolarHBondContact N-O 3.01Å; R1556-S1565 PolarHBondContact O-N 3.08Å; R1556-S1565 PolarHBondContact O-OG 2.81Å; S1565-V1567 PolarHBondContact O-N 2.96Å
1566V93.7Very high91.6Very high72 Ų7258.3 Ų58.344%0.43629%0.293SS..EExtended strand (participates in β ladder)trans-75.3118.1171.9-170.70000108.8V1527 L1555V1527-V1566 HydrophobicContact CG2-CG2 3.96Å; L1555-V1566 HydrophobicContact CD2-CB 4.19Å; L1555-V1566 HydrophobicContact CD2-CG1 4.29Å; L1555-V1566 HydrophobicContact CD2-CG2 3.76Å
1567V93.5Very high91.5Very high36 Ų3657 Ų5722%0.21829%0.288CS..EExtended strand (participates in β ladder)trans-88.8-43.6178.3178.40000110.8L1554 R1556 S1565 Y1604L1554-V1567 HydrophobicContact CD2-CB 4.38Å; L1554-V1567 HydrophobicContact CD2-CG1 4.28Å; L1554-V1567 HydrophobicContact CG-CB 4.29Å; L1554-V1567 WeakPolarHBondContact O-CB 3.48Å; L1554-V1567 PolarHBondContact O-N 3Å; R1556-V1567 HydrophobicContact CB-CG2 3.36Å; S1565-V1567 PolarHBondContact O-N 2.96Å; V1567-Y1604 HydrophobicContact CG1-CD2 4.09Å; V1567-Y1604 HydrophobicContact CG1-CE1 4.32Å; V1567-Y1604 HydrophobicContact CG1-CE2 3.48Å; V1567-Y1604 VanDerWaalsContact CG1-CE2 3.48Å
1568S94.6Very high91.4Very high2 Ų257.3 Ų57.31%0.01429%0.29CS..EExtended strand (participates in β ladder)trans-160.7161.2-175.5-158.40000110.1L1554 G1614 R1616 L1617L1554-S1568 PolarHBondContact N-O 2.81Å; L1554-S1568 PolarHBondContact O-N 3.03Å; S1568-G1614 VanDerWaalsContact CB-O 3.22Å; S1568-G1614 WeakPolarHBondContact CB-O 3.2Å; S1568-G1614 PolarHBondContact OG-O 2.91Å; S1568-R1616 PolarHBondContact OG-N 3.21Å; S1568-L1617 PolarHBondContact OG-N 3.01Å
1569R93.4Very high91.5Very high99 Ų9954.5 Ų54.537%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-147.2163.3168.461169.9-177.1-149.8-9111E1530 V1552 Q1553 N1571 R1615 R1616 L1617E1530-R1569 IonicContact OE1-CZ 2.68Å; E1530-R1569 IonicContact OE1-NE 3.73Å; E1530-R1569 IonicContact OE1-NH1 3.74Å; E1530-R1569 PolarHBondContact OE1-NH1 3.12Å; V1552-R1569 WeakPolarHBondContact O-CA 3.39Å; Q1553-R1569 HydrophobicContact CB-CB 4.41Å; Q1553-R1569 HydrophobicContact CG-CB 4.07Å; R1569-N1571 PolarHBondContact NE-OD1 2.71Å; R1569-R1615 PolarHBondContact N-O 3.45Å; R1569-R1616 WeakPolarHBondContact O-CA 3.46Å; R1569-L1617 PolarHBondContact O-N 3.03Å
1570D91.2Very high91.8Very high2 Ų252.9 Ų52.91%0.01127%0.266CS..  trans-72.2155153.6-165.54.9000109.6S1551 V1552 I1572 Y1602S1551-D1570 WeakPolarHBondContact OG-CB 3.47Å; S1551-D1570 PolarHBondContact OG-OD2 3.23Å; S1551-D1570 VanDerWaalsContact OG-OD2 3.07Å; V1552-D1570 PolarHBondContact O-N 2.99Å; D1570-I1572 PolarHBondContact OD1-N 2.66Å; D1570-I1572 VanDerWaalsContact OD1-N 3.11Å; D1570-Y1602 HydrophobicContact CB-CE1 4.37Å; D1570-Y1602 PolarHBondContact OD2-OH 3.34Å
1571N86.2Confident92.1Very high81 Ų8145.9 Ų45.943%0.43323%0.228SC..  trans-115.5-0.3172.9-60.4-77.4000112.1R1569R1569-N1571 PolarHBondContact NE-OD1 2.71Å
1572I87Confident92.3Very high25 Ų2540.2 Ų40.213%0.12820%0.199CC..SBendtrans-84.6120.8172.5-50.4172.8000107.4S1551 D1570 R1574 E1772S1551-I1572 VanDerWaalsContact CB-O 3.28Å; S1551-I1572 WeakPolarHBondContact CB-O 3.47Å; D1570-I1572 PolarHBondContact OD1-N 2.66Å; D1570-I1572 VanDerWaalsContact OD1-N 3.11Å; I1572-R1574 HydrophobicContact CB-CG 4.43Å; I1572-R1574 HydrophobicContact CG2-CG 3.83Å; I1572-E1772 HydrophobicContact CD1-CG 4.24Å
1573S87.9Confident92.4Very high48 Ų4832.9 Ų32.934%0.33617%0.173SC..  trans-73.4126.6171.4-59.10000109.1L1549 K1550L1549-S1573 CarbonylContact O-C 3.54Å; L1549-S1573 WeakPolarHBondContact O-CA 3.47Å; L1549-S1573 WeakPolarHBondContact O-CB 3.41Å; K1550-S1573 WeakPolarHBondContact CD-OG 3.37Å; K1550-S1573 PolarHBondContact NZ-OG 2.77Å
1574R87.8Confident92.3Very high8 Ų830 Ų303%0.0316%0.156CC..BIsolated β-bridgetrans-151.5140-174-66.4175.364.4-152.2-1.1107.4L1549 I1572 V1576 D1594 T1600 Y1602 P1769L1549-R1574 CarbonylContact C-O 3.51Å; L1549-R1574 PolarHBondContact O-N 2.93Å; L1549-R1574 VanDerWaalsContact O-N 3.07Å; I1572-R1574 HydrophobicContact CB-CG 4.43Å; I1572-R1574 HydrophobicContact CG2-CG 3.83Å; R1574-V1576 PolarHBondContact O-N 2.98Å; R1574-D1594 IonicContact CZ-OD2 3.18Å; R1574-D1594 IonicContact NE-OD2 3.15Å; R1574-D1594 PolarHBondContact NE-OD2 2.96Å; R1574-D1594 VanDerWaalsContact NE-OD2 3.14Å; R1574-D1594 IonicContact NH2-OD2 2.74Å; R1574-D1594 PolarHBondContact NH2-OD2 2.84Å; R1574-T1600 PolarHBondContact NH1-OG1 3.08Å; R1574-Y1602 PolarHBondContact NH1-OH 3.5Å; R1574-P1769 HydrophobicContact CG-CG 4.32Å
1575E92Very high91.9Very high79 Ų7930.1 Ų30.137%0.36916%0.159SC..  trans-77.6115.5176.9-68.7-172-17200110.9V1548 L1549 D1594 E1595V1548-E1575 WeakPolarHBondContact O-CA 3.48Å; L1549-E1575 HydrophobicContact CD2-CG 3.51Å; L1549-E1575 HydrophobicContact CG-CG 4.13Å; E1575-D1594 WeakPolarHBondContact O-CA 3.37Å; E1575-D1594 VanDerWaalsContact O-CB 3.28Å; E1575-D1594 WeakPolarHBondContact O-CB 3.35Å; E1575-E1595 HydrophobicContact CB-CB 4.17Å; E1575-E1595 HydrophobicContact CB-CG 4.08Å; E1575-E1595 PolarHBondContact O-N 2.91Å
1576V93.7Very high91.4Very high8 Ų834.9 Ų34.95%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-95.9126.2-174.3-178.40000111.1H1534 A1546 V1548 R1574 V1592 S1593H1534-V1576 WeakPolarHBondContact NE2-CB 3.18Å; H1534-V1576 WeakPolarHBondContact NE2-CG1 3.36Å; H1534-V1576 PolarHBondContact NE2-O 3.24Å; A1546-V1576 HydrophobicContact CB-CG1 4.08Å; V1548-V1576 PolarHBondContact O-N 3.03Å; R1574-V1576 PolarHBondContact O-N 2.98Å; V1576-V1592 HydrophobicContact CB-CG1 4.26Å; V1576-V1592 HydrophobicContact CG1-CG1 3.61Å; V1576-V1592 HydrophobicContact CG2-CG1 3.66Å; V1576-S1593 WeakPolarHBondContact CA-O 3.35Å
1577Y93.2Very high91.1Very high83 Ų8335 Ų3533%0.32516%0.164SC..EExtended strand (participates in β ladder)trans-94.5-47.7176.7-88-117.5000112.5S1593 E1595 A1629Y1577-S1593 PolarHBondContact N-O 2.88Å; Y1577-S1593 VanDerWaalsContact N-O 3.12Å; Y1577-E1595 HydrophobicContact CE2-CB 3.86Å; Y1577-A1629 WeakPolarHBondContact CB-O 3.43Å
1578T93.9Very high91Very high7 Ų735.9 Ų35.94%0.04317%0.167CC..EExtended strand (participates in β ladder)trans-148.2156.6173.1-168.90000111.1S1593 A1629 S1632 F1720T1578-S1593 VanDerWaalsContact CG2-OG 3.25Å; T1578-S1593 WeakPolarHBondContact CG2-OG 3.46Å; T1578-S1593 PolarHBondContact N-OG 2.89Å; T1578-S1593 PolarHBondContact O-N 2.87Å; T1578-S1593 PolarHBondContact O-OG 2.88Å; T1578-A1629 HydrophobicContact CG2-CB 4.47Å; T1578-S1632 PolarHBondContact OG1-OG 2.82Å; T1578-S1632 VanDerWaalsContact OG1-OG 3.05Å; T1578-F1720 HydrophobicContact CG2-CD1 4.07Å; T1578-F1720 HydrophobicContact CG2-CE1 4.21Å
1579S94.5Very high91Very high0 Ų035.8 Ų35.80%017%0.167CC..EExtended strand (participates in β ladder)trans-136.3155.417775.60000110.2L1537 M1591L1537-S1579 WeakPolarHBondContact CD1-O 3.22Å; S1579-M1591 CarbonylContact C-O 3.01Å; S1579-M1591 WeakPolarHBondContact CA-O 3.29Å; S1579-M1591 WeakPolarHBondContact CB-O 3.36Å
1580N95.4Very high91.1Very high9 Ų931.3 Ų31.35%0.04815%0.15CC..EExtended strand (participates in β ladder)trans-158.3170.1174.3-134.6-56.9000112.4L1537 M1591 S1632 R1634 I1718L1537-N1580 HydrophobicContact CD1-CB 4.41Å; N1580-M1591 HydrophobicContact CB-CE 3.96Å; N1580-M1591 PolarHBondContact N-O 2.78Å; N1580-M1591 WeakPolarHBondContact O-CB 3.36Å; N1580-M1591 PolarHBondContact O-N 3.01Å; N1580-S1632 PolarHBondContact ND2-OG 2.96Å; N1580-S1632 VanDerWaalsContact ND2-OG 3.09Å; N1580-R1634 WeakPolarHBondContact OD1-CD 3.37Å; N1580-R1634 PolarHBondContact OD1-NE 2.91Å; N1580-I1718 HydrophobicContact CB-CD1 4.03Å; N1580-I1718 HydrophobicContact CB-CG1 4.44Å; N1580-I1718 HydrophobicContact CB-CG2 4.21Å
1581F95.1Very high91.3Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-88.6120.4176-69.3-72.2000111.5L1537 V1539 L1544 V1583 L1588 F1590 R1634L1537-F1581 HydrophobicContact CB-CD2 4.22Å; L1537-F1581 HydrophobicContact CB-CE2 3.6Å; L1537-F1581 HydrophobicContact CB-CZ 4.34Å; L1537-F1581 WeakPolarHBondContact O-CE2 3.45Å; L1537-F1581 WeakPolarHBondContact O-CZ 3.37Å; V1539-F1581 HydrophobicContact CB-CD2 4.34Å; V1539-F1581 HydrophobicContact CB-CE2 4.05Å; V1539-F1581 HydrophobicContact CB-CZ 4.16Å; V1539-F1581 HydrophobicContact CG2-CD1 4.45Å; V1539-F1581 HydrophobicContact CG2-CD2 3.43Å; V1539-F1581 VanDerWaalsContact CG2-CD2 3.43Å; V1539-F1581 HydrophobicContact CG2-CE2 3.53Å; V1539-F1581 HydrophobicContact CG2-CG 3.91Å; V1539-F1581 HydrophobicContact CG2-CZ 4.11Å; L1544-F1581 HydrophobicContact CB-CE1 3.98Å; L1544-F1581 HydrophobicContact CB-CZ 3.77Å; F1581-V1583 HydrophobicContact CB-CG2 4.31Å; F1581-V1583 PolarHBondContact O-N 3Å; F1581-L1588 HydrophobicContact CB-CD1 3.96Å; F1581-L1588 HydrophobicContact CD1-CD1 3.92Å; F1581-L1588 HydrophobicContact CD1-CD2 4.47Å; F1581-L1588 HydrophobicContact CD1-CG 4.44Å; F1581-L1588 HydrophobicContact CG-CD1 4.28Å; F1581-F1590 AromaticContact CD1-CD1 3.84Å; F1581-F1590 HydrophobicContact CD1-CD1 3.84Å; F1581-F1590 HydrophobicContact CD1-CE1 4.06Å; F1581-F1590 AromaticContact CE1-CD1 3.82Å; F1581-F1590 HydrophobicContact CE1-CD1 3.82Å; F1581-F1590 AromaticContact CE1-CE1 3.86Å; F1581-F1590 HydrophobicContact CE1-CE1 3.86Å; F1581-R1634 WeakPolarHBondContact O-CD 3.29Å
1582F94.9Very high91.7Very high0 Ų027.3 Ų27.30%013%0.129CC..EExtended strand (participates in β ladder)trans-87.3103.8176.2-167.5-102000110F13 A15 G1589 M1591 I1601 I1718 I1730 P1732F13-F1582 HydrophobicContact CB-CD1 4.42Å; F13-F1582 HydrophobicContact CB-CE1 4.06Å; F13-F1582 AromaticContact CD1-CD1 3.62Å; F13-F1582 HydrophobicContact CD1-CD1 3.62Å; F13-F1582 AromaticContact CD1-CE1 3.69Å; F13-F1582 HydrophobicContact CD1-CE1 3.69Å; F13-F1582 AromaticContact CE1-CD1 3.99Å; F13-F1582 HydrophobicContact CE1-CD1 3.99Å; F13-F1582 HydrophobicContact CE1-CE1 4.44Å; F13-F1582 AromaticContact CG-CD1 4Å; F13-F1582 HydrophobicContact CG-CD1 4Å; F13-F1582 HydrophobicContact CG-CE1 4.06Å; A15-F1582 HydrophobicContact CB-CE2 4.36Å; A15-F1582 HydrophobicContact CB-CZ 3.84Å; F1582-G1589 PolarHBondContact N-O 3.02Å; F1582-G1589 PolarHBondContact O-N 3.27Å; F1582-M1591 HydrophobicContact CB-CB 4.41Å; F1582-I1601 HydrophobicContact CB-CG2 3.95Å; F1582-I1601 HydrophobicContact CD1-CD1 4.09Å; F1582-I1601 HydrophobicContact CD1-CG2 3.83Å; F1582-I1601 HydrophobicContact CD2-CD1 3.75Å; F1582-I1601 HydrophobicContact CD2-CG1 4.36Å; F1582-I1601 HydrophobicContact CE1-CD1 4Å; F1582-I1601 HydrophobicContact CE2-CD1 3.67Å; F1582-I1601 HydrophobicContact CG-CD1 3.95Å; F1582-I1601 HydrophobicContact CG-CG1 4.35Å; F1582-I1601 HydrophobicContact CG-CG2 3.93Å; F1582-I1601 HydrophobicContact CZ-CD1 3.78Å; F1582-I1718 HydrophobicContact CB-CD1 4.5Å; F1582-I1718 HydrophobicContact CD2-CD1 4.04Å; F1582-I1730 HydrophobicContact CE2-CG2 4.16Å; F1582-P1732 HydrophobicContact CE1-CB 3.83Å; F1582-P1732 HydrophobicContact CE2-CB 4.4Å; F1582-P1732 HydrophobicContact CZ-CB 3.61Å; F1582-P1732 HydrophobicContact CZ-CG 4.3Å
1583V93Very high92Very high22 Ų2226.2 Ų26.213%0.13312%0.123CC..EExtended strand (participates in β ladder)trans-104.8100.9-172.9-168.40000110.5F1581 L1588 F1714 R1715 Q1716F1581-V1583 HydrophobicContact CB-CG2 4.31Å; F1581-V1583 PolarHBondContact O-N 3Å; V1583-L1588 HydrophobicContact CG2-CD1 3.96Å; V1583-F1714 WeakPolarHBondContact CG1-O 3.29Å; V1583-R1715 WeakPolarHBondContact O-CA 3.38Å; V1583-Q1716 HydrophobicContact CB-CB 4.08Å; V1583-Q1716 HydrophobicContact CB-CG 3.94Å; V1583-Q1716 HydrophobicContact CG1-CG 4.42Å; V1583-Q1716 HydrophobicContact CG2-CG 4.39Å; V1583-Q1716 PolarHBondContact O-N 3.48Å
1584D90.1Very high92.2Very high6 Ų624 Ų243%0.03211%0.108CC..EExtended strand (participates in β ladder)trans-99.379.6171.817636.7000110.5F13 R1586 R1587 R1715 P1732F13-D1584 HydrophobicContact CD1-CB 4.08Å; F13-D1584 HydrophobicContact CE1-CB 4.06Å; D1584-R1586 PolarHBondContact O-N 3.45Å; D1584-R1587 HydrophobicContact CB-CB 4.29Å; D1584-R1587 PolarHBondContact N-O 3.18Å; D1584-R1587 PolarHBondContact O-N 3.46Å; D1584-R1587 IonicContact OD2-CZ 2.69Å; D1584-R1587 IonicContact OD2-NE 3.66Å; D1584-R1587 PolarHBondContact OD2-NE 3.03Å; D1584-R1587 IonicContact OD2-NH2 3.62Å; D1584-R1587 PolarHBondContact OD2-NH2 2.74Å; D1584-R1715 IonicContact OD1-CZ 3.13Å; D1584-R1715 IonicContact OD1-NE 3.12Å; D1584-R1715 PolarHBondContact OD1-NE 2.87Å; D1584-R1715 IonicContact OD1-NH2 2.66Å; D1584-P1732 HydrophobicContact CB-CB 3.71Å; D1584-P1732 HydrophobicContact CB-CG 4.47Å
1585G85.9Confident92.3Very high11 Ų1127 Ų2711%0.11312%0.121CC..THydrogen-bonded Turntrans68-91.2175.200000112.6P1711 F1714G1585-P1711 WeakPolarHBondContact CA-O 3.12Å; G1585-F1714 WeakPolarHBondContact O-CB 3.48Å
1586R83.4Confident92.1Very high135 Ų13525.5 Ų25.551%0.50912%0.116SC..THydrogen-bonded Turntrans-105.5-8.3174.7-60.3-178.2-175.7-174.6-0.7113.4T3 D1584T3-R1586 PolarHBondContact O-NH1 3.22Å; T3-R1586 PolarHBondContact OG1-NH1 3.16Å; D1584-R1586 PolarHBondContact O-N 3.45Å
1587R87.5Confident91.9Very high75 Ų7525.2 Ų25.228%0.28312%0.115SC..EExtended strand (participates in β ladder)trans-91.5135.5176.9-60.2-169.6-82.2-156.3-5.3109.6T12 F13 D1584 D1735T12-R1587 PolarHBondContact O-NE 2.79Å; T12-R1587 PolarHBondContact O-NH1 2.62Å; T12-R1587 PolarHBondContact OG1-NH1 2.89Å; F13-R1587 HydrophobicContact CE1-CB 3.51Å; F13-R1587 HydrophobicContact CZ-CB 3.94Å; D1584-R1587 HydrophobicContact CB-CB 4.29Å; D1584-R1587 PolarHBondContact N-O 3.18Å; D1584-R1587 PolarHBondContact O-N 3.46Å; D1584-R1587 IonicContact OD2-CZ 2.69Å; D1584-R1587 IonicContact OD2-NE 3.66Å; D1584-R1587 PolarHBondContact OD2-NE 3.03Å; D1584-R1587 IonicContact OD2-NH2 3.62Å; D1584-R1587 PolarHBondContact OD2-NH2 2.74Å; R1587-D1735 IonicContact CZ-OD2 3.45Å; R1587-D1735 IonicContact NH1-OD2 2.76Å; R1587-D1735 PolarHBondContact NH1-OD2 3.42Å; R1587-D1735 VanDerWaalsContact NH1-OD2 3.12Å; R1587-D1735 IonicContact NH2-OD2 2.69Å; R1587-D1735 PolarHBondContact NH2-OD2 3.41Å
1588L91.4Very high91.8Very high54 Ų5421.2 Ų21.228%0.28310%0.099SC..EExtended strand (participates in β ladder)trans-117.5122.7176.4-178.166.7000109.8L1542 F1581 V1583 F1590L1542-L1588 HydrophobicContact CD1-CD2 4.18Å; F1581-L1588 HydrophobicContact CB-CD1 3.96Å; F1581-L1588 HydrophobicContact CD1-CD1 3.92Å; F1581-L1588 HydrophobicContact CD1-CD2 4.47Å; F1581-L1588 HydrophobicContact CD1-CG 4.44Å; F1581-L1588 HydrophobicContact CG-CD1 4.28Å; V1583-L1588 HydrophobicContact CG2-CD1 3.96Å; L1588-F1590 HydrophobicContact CD2-CE1 4.24Å; L1588-F1590 HydrophobicContact CG-CE1 4.32Å
1589G93.4Very high91.8Very high0 Ų021 Ų210%010%0.098CC..EExtended strand (participates in β ladder)trans-118.1169.6171.800000111.9F1582 Y1602F1582-G1589 PolarHBondContact N-O 3.02Å; F1582-G1589 PolarHBondContact O-N 3.27Å; G1589-Y1602 CarbonylContact C-O 3.54Å; G1589-Y1602 WeakPolarHBondContact CA-O 3.44Å
1590F95.2Very high91.8Very high4 Ų421 Ų212%0.01810%0.098CC..EExtended strand (participates in β ladder)trans-120.1115-179.3-42.8-74.7000107.8L1544 L1554 F1581 L1588 Y1602 L1617L1544-F1590 HydrophobicContact CD1-CB 4.04Å; L1544-F1590 HydrophobicContact CD1-CD1 4.03Å; L1544-F1590 HydrophobicContact CD1-CG 4.2Å; L1544-F1590 HydrophobicContact CD2-CB 4.24Å; L1544-F1590 HydrophobicContact CD2-CD1 4.49Å; L1554-F1590 HydrophobicContact CD1-CD1 4.29Å; L1554-F1590 HydrophobicContact CD1-CE1 3.61Å; L1554-F1590 HydrophobicContact CD1-CZ 3.82Å; L1554-F1590 HydrophobicContact CD2-CE1 4.26Å; L1554-F1590 HydrophobicContact CD2-CE2 3.89Å; L1554-F1590 HydrophobicContact CD2-CZ 3.58Å; L1554-F1590 HydrophobicContact CG-CZ 4.3Å; F1581-F1590 AromaticContact CD1-CD1 3.84Å; F1581-F1590 HydrophobicContact CD1-CD1 3.84Å; F1581-F1590 HydrophobicContact CD1-CE1 4.06Å; F1581-F1590 AromaticContact CE1-CD1 3.82Å; F1581-F1590 HydrophobicContact CE1-CD1 3.82Å; F1581-F1590 AromaticContact CE1-CE1 3.86Å; F1581-F1590 HydrophobicContact CE1-CE1 3.86Å; L1588-F1590 HydrophobicContact CD2-CE1 4.24Å; L1588-F1590 HydrophobicContact CG-CE1 4.32Å; F1590-Y1602 PolarHBondContact N-O 2.8Å; F1590-Y1602 PolarHBondContact O-N 3.41Å; F1590-L1617 HydrophobicContact CD2-CD2 3.84Å; F1590-L1617 HydrophobicContact CE2-CD2 3.92Å
1591M95.2Very high91.8Very high0 Ų020.8 Ų20.80%010%0.096CC..EExtended strand (participates in β ladder)trans-101.3138-175.5-170.9-164.574.700109.9S1579 N1580 F1582 V1599 T1600 I1601 I1718 F1720S1579-M1591 CarbonylContact C-O 3.01Å; S1579-M1591 WeakPolarHBondContact CA-O 3.29Å; S1579-M1591 WeakPolarHBondContact CB-O 3.36Å; N1580-M1591 HydrophobicContact CB-CE 3.96Å; N1580-M1591 PolarHBondContact N-O 2.78Å; N1580-M1591 WeakPolarHBondContact O-CB 3.36Å; N1580-M1591 PolarHBondContact O-N 3.01Å; F1582-M1591 HydrophobicContact CB-CB 4.41Å; M1591-V1599 HydrophobicContact CG-CG1 3.6Å; M1591-V1599 HydrophobicContact SD-CG1 3.93Å; M1591-T1600 WeakPolarHBondContact CA-O 3.24Å; M1591-I1601 HydrophobicContact CB-CG1 4.4Å; M1591-I1601 HydrophobicContact CG-CG1 4.06Å; M1591-I1718 HydrophobicContact CB-CD1 4.32Å; M1591-I1718 HydrophobicContact CE-CB 4.24Å; M1591-I1718 HydrophobicContact CE-CD1 3.77Å; M1591-I1718 HydrophobicContact CE-CG2 3.68Å; M1591-I1718 HydrophobicContact SD-CB 4.31Å; M1591-I1718 HydrophobicContact SD-CD1 3.47Å; M1591-I1718 WeakPolarHBondContact SD-CD1 3.18Å; M1591-I1718 HydrophobicContact SD-CG2 4.39Å; M1591-F1720 HydrophobicContact CE-CD1 4.47Å; M1591-F1720 HydrophobicContact CE-CE1 3.36Å; M1591-F1720 HydrophobicContact CE-CE2 4.16Å; M1591-F1720 HydrophobicContact CE-CZ 3.19Å; M1591-F1720 HydrophobicContact SD-CE1 4.25Å; M1591-F1720 HydrophobicContact SD-CE2 4.17Å; M1591-F1720 HydrophobicContact SD-CZ 3.46Å; M1591-F1720 WeakPolarHBondContact SD-CZ 3.2Å
1592V95.1Very high91.7Very high0 Ų020.9 Ų20.90%010%0.097CC..EExtended strand (participates in β ladder)trans-138.8132.7-175.8-167.40000109.1V1552 V1576 V1599 T1600 Y1602V1552-V1592 HydrophobicContact CB-CG2 4.26Å; V1552-V1592 HydrophobicContact CG1-CB 4.48Å; V1552-V1592 HydrophobicContact CG1-CG1 4.08Å; V1552-V1592 HydrophobicContact CG1-CG2 3.55Å; V1552-V1592 HydrophobicContact CG2-CG2 3.65Å; V1576-V1592 HydrophobicContact CB-CG1 4.26Å; V1576-V1592 HydrophobicContact CG1-CG1 3.61Å; V1576-V1592 HydrophobicContact CG2-CG1 3.66Å; V1592-V1599 WeakPolarHBondContact O-CA 3.26Å; V1592-T1600 PolarHBondContact N-O 3.08Å; V1592-T1600 PolarHBondContact O-N 3.33Å; V1592-T1600 PolarHBondContact O-OG1 2.84Å; V1592-Y1602 HydrophobicContact CB-CE2 4.38Å; V1592-Y1602 HydrophobicContact CG2-CD2 4.03Å; V1592-Y1602 HydrophobicContact CG2-CE2 3.84Å
1593S94.6Very high91.6Very high1 Ų121 Ų211%0.00710%0.098CC..EExtended strand (participates in β ladder)trans-101.8147.4166.567.10000111.7V1576 Y1577 T1578 N1598V1576-S1593 WeakPolarHBondContact CA-O 3.35Å; Y1577-S1593 PolarHBondContact N-O 2.88Å; Y1577-S1593 VanDerWaalsContact N-O 3.12Å; T1578-S1593 VanDerWaalsContact CG2-OG 3.25Å; T1578-S1593 WeakPolarHBondContact CG2-OG 3.46Å; T1578-S1593 PolarHBondContact N-OG 2.89Å; T1578-S1593 PolarHBondContact O-N 2.87Å; T1578-S1593 PolarHBondContact O-OG 2.88Å; S1593-N1598 CarbonylContact C-O 3.44Å; S1593-N1598 VanDerWaalsContact CA-O 3.27Å; S1593-N1598 WeakPolarHBondContact CA-O 3.41Å
1594D91.8Very high91.6Very high3 Ų324.5 Ų24.52%0.01611%0.109CC..EExtended strand (participates in β ladder)trans-122.5173.4176.57613.8000115.6R1574 E1575 L1596 G1597 N1598R1574-D1594 IonicContact CZ-OD2 3.18Å; R1574-D1594 IonicContact NE-OD2 3.15Å; R1574-D1594 PolarHBondContact NE-OD2 2.96Å; R1574-D1594 VanDerWaalsContact NE-OD2 3.14Å; R1574-D1594 IonicContact NH2-OD2 2.74Å; R1574-D1594 PolarHBondContact NH2-OD2 2.84Å; E1575-D1594 WeakPolarHBondContact O-CA 3.37Å; E1575-D1594 VanDerWaalsContact O-CB 3.28Å; E1575-D1594 WeakPolarHBondContact O-CB 3.35Å; D1594-L1596 PolarHBondContact O-N 3.33Å; D1594-L1596 VanDerWaalsContact O-N 3.15Å; D1594-L1596 WeakPolarHBondContact OD1-CA 3.17Å; D1594-L1596 WeakPolarHBondContact OD1-CB 3.18Å; D1594-L1596 PolarHBondContact OD1-N 2.75Å; D1594-G1597 PolarHBondContact O-N 2.77Å; D1594-G1597 PolarHBondContact OD1-N 2.77Å; D1594-N1598 PolarHBondContact N-O 3.37Å; D1594-N1598 VanDerWaalsContact OD1-CB 3.31Å; D1594-N1598 WeakPolarHBondContact OD1-CB 3.43Å; D1594-N1598 PolarHBondContact OD1-N 2.87Å; D1594-N1598 PolarHBondContact OD1-ND2 3.32Å; D1594-N1598 WeakPolarHBondContact OD2-CB 3.26Å; D1594-N1598 PolarHBondContact OD2-ND2 2.81Å
1595E89.1Confident91.5Very high69 Ų6924.9 Ų24.932%0.32211%0.111SC..THydrogen-bonded Turntrans-54.5-25.7177.260.5149.4162.800114.9E1575 Y1577 G1597 R1628E1575-E1595 HydrophobicContact CB-CB 4.17Å; E1575-E1595 HydrophobicContact CB-CG 4.08Å; E1575-E1595 PolarHBondContact O-N 2.91Å; Y1577-E1595 HydrophobicContact CE2-CB 3.86Å; E1595-G1597 VanDerWaalsContact C-N 3.27Å; E1595-R1628 VanDerWaalsContact O-CD 3.22Å; E1595-R1628 WeakPolarHBondContact O-CD 3.18Å; E1595-R1628 WeakPolarHBondContact O-CG 3.15Å
1596L87.8Confident91.7Very high48 Ų4827.1 Ų27.125%0.25112%0.124SC..THydrogen-bonded Turntrans-87.3-1.7-180-55.9-177.3000112.1D1594 R1624 N1767 P1769D1594-L1596 PolarHBondContact O-N 3.33Å; D1594-L1596 VanDerWaalsContact O-N 3.15Å; D1594-L1596 WeakPolarHBondContact OD1-CA 3.17Å; D1594-L1596 WeakPolarHBondContact OD1-CB 3.18Å; D1594-L1596 PolarHBondContact OD1-N 2.75Å; L1596-R1624 PolarHBondContact O-NE 3.01Å; L1596-N1767 HydrophobicContact CD1-CB 4.39Å; L1596-P1769 HydrophobicContact CD1-CB 3.9Å
1597G88.5Confident91.9Very high2 Ų226.9 Ų26.92%0.02113%0.132CC..  trans837.3-172.700000113.6D1594 E1595 V1599 L1625D1594-G1597 PolarHBondContact O-N 2.77Å; D1594-G1597 PolarHBondContact OD1-N 2.77Å; E1595-G1597 VanDerWaalsContact C-N 3.27Å; G1597-V1599 PolarHBondContact O-N 3.49Å; G1597-L1625 WeakPolarHBondContact O-CB 3.22Å; G1597-L1625 PolarHBondContact O-N 3.3Å
1598N92.3Very high91.8Very high0 Ų025 Ų250%013%0.128CC..EExtended strand (participates in β ladder)trans-70130.8179.3-60.3-56.8000110.8S1593 D1594 M1623 Y1766 N1767S1593-N1598 CarbonylContact C-O 3.44Å; S1593-N1598 VanDerWaalsContact CA-O 3.27Å; S1593-N1598 WeakPolarHBondContact CA-O 3.41Å; D1594-N1598 PolarHBondContact N-O 3.37Å; D1594-N1598 VanDerWaalsContact OD1-CB 3.31Å; D1594-N1598 WeakPolarHBondContact OD1-CB 3.43Å; D1594-N1598 PolarHBondContact OD1-N 2.87Å; D1594-N1598 PolarHBondContact OD1-ND2 3.32Å; D1594-N1598 WeakPolarHBondContact OD2-CB 3.26Å; D1594-N1598 PolarHBondContact OD2-ND2 2.81Å; N1598-M1623 CarbonylContact C-O 3.47Å; N1598-M1623 VanDerWaalsContact CA-O 3.28Å; N1598-M1623 WeakPolarHBondContact CA-O 3.41Å; N1598-Y1766 HydrophobicContact CB-CD2 3.77Å; N1598-Y1766 HydrophobicContact CB-CE2 3.89Å; N1598-N1767 PolarHBondContact ND2-O 2.98Å; N1598-N1767 PolarHBondContact OD1-N 2.75Å
1599V94Very high91.5Very high3 Ų328.2 Ų28.22%0.01815%0.152CC..EExtended strand (participates in β ladder)trans-103125.3162.5172.70000109.1M1591 V1592 G1597 D1622 M1623 L1625 F1720 I1730M1591-V1599 HydrophobicContact CG-CG1 3.6Å; M1591-V1599 HydrophobicContact SD-CG1 3.93Å; V1592-V1599 WeakPolarHBondContact O-CA 3.26Å; G1597-V1599 PolarHBondContact O-N 3.49Å; V1599-D1622 WeakPolarHBondContact O-CA 3.21Å; V1599-M1623 HydrophobicContact CB-CG 4.37Å; V1599-M1623 PolarHBondContact N-O 3.19Å; V1599-M1623 PolarHBondContact O-N 2.81Å; V1599-L1625 HydrophobicContact CG2-CD1 3.52Å; V1599-L1625 HydrophobicContact CG2-CD2 4.36Å; V1599-L1625 HydrophobicContact CG2-CG 3.7Å; V1599-F1720 HydrophobicContact CG1-CZ 4.26Å; V1599-F1720 HydrophobicContact CG2-CE1 4.19Å; V1599-F1720 HydrophobicContact CG2-CZ 3.76Å; V1599-I1730 HydrophobicContact CB-CD1 4.15Å; V1599-I1730 HydrophobicContact CG1-CD1 3.92Å; V1599-I1730 HydrophobicContact CG2-CD1 4.25Å
1600T93.6Very high91.2Very high0 Ų031 Ų310%017%0.171CC..EExtended strand (participates in β ladder)trans-121.7128.7177.848.90000110.5R1574 M1591 V1592 Y1602 D1622 Y1766R1574-T1600 PolarHBondContact NH1-OG1 3.08Å; M1591-T1600 WeakPolarHBondContact CA-O 3.24Å; V1592-T1600 PolarHBondContact N-O 3.08Å; V1592-T1600 PolarHBondContact O-N 3.33Å; V1592-T1600 PolarHBondContact O-OG1 2.84Å; T1600-Y1602 VanDerWaalsContact OG1-CE2 3.26Å; T1600-Y1602 WeakPolarHBondContact OG1-CE2 3.4Å; T1600-D1622 HydrophobicContact CG2-CB 4.01Å; T1600-Y1766 HydrophobicContact CG2-CD2 3.77Å; T1600-Y1766 HydrophobicContact CG2-CE2 3.43Å; T1600-Y1766 VanDerWaalsContact CG2-CE2 3.43Å
1601I95.3Very high90.8Very high3 Ų330.8 Ų30.82%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-104.9113.6174.9-57.6167.8000108.1F13 A15 F1582 M1591 C1620 A1621F13-I1601 HydrophobicContact CB-CG2 4.36Å; F13-I1601 HydrophobicContact CD2-CG2 3.76Å; F13-I1601 HydrophobicContact CE2-CG2 4.31Å; F13-I1601 HydrophobicContact CG-CG2 4.12Å; A15-I1601 HydrophobicContact CB-CD1 4.45Å; F1582-I1601 HydrophobicContact CB-CG2 3.95Å; F1582-I1601 HydrophobicContact CD1-CD1 4.09Å; F1582-I1601 HydrophobicContact CD1-CG2 3.83Å; F1582-I1601 HydrophobicContact CD2-CD1 3.75Å; F1582-I1601 HydrophobicContact CD2-CG1 4.36Å; F1582-I1601 HydrophobicContact CE1-CD1 4Å; F1582-I1601 HydrophobicContact CE2-CD1 3.67Å; F1582-I1601 HydrophobicContact CG-CD1 3.95Å; F1582-I1601 HydrophobicContact CG-CG1 4.35Å; F1582-I1601 HydrophobicContact CG-CG2 3.93Å; F1582-I1601 HydrophobicContact CZ-CD1 3.78Å; M1591-I1601 HydrophobicContact CB-CG1 4.4Å; M1591-I1601 HydrophobicContact CG-CG1 4.06Å; I1601-C1620 PolarHBondContact O-N 3.19Å; I1601-A1621 HydrophobicContact CB-CB 4.3Å; I1601-A1621 HydrophobicContact CD1-CB 4.32Å; I1601-A1621 PolarHBondContact N-O 3.4Å; I1601-A1621 PolarHBondContact O-N 2.83Å
1602Y93.6Very high90.5Very high3 Ų339.2 Ų39.21%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-95.1157.2175.2-60.9-96.4000111.8D1570 R1574 G1589 F1590 V1592 T1600 L1617 V1618 R1619D1570-Y1602 HydrophobicContact CB-CE1 4.37Å; D1570-Y1602 PolarHBondContact OD2-OH 3.34Å; R1574-Y1602 PolarHBondContact NH1-OH 3.5Å; G1589-Y1602 CarbonylContact C-O 3.54Å; G1589-Y1602 WeakPolarHBondContact CA-O 3.44Å; F1590-Y1602 PolarHBondContact N-O 2.8Å; F1590-Y1602 PolarHBondContact O-N 3.41Å; V1592-Y1602 HydrophobicContact CB-CE2 4.38Å; V1592-Y1602 HydrophobicContact CG2-CD2 4.03Å; V1592-Y1602 HydrophobicContact CG2-CE2 3.84Å; T1600-Y1602 VanDerWaalsContact OG1-CE2 3.26Å; T1600-Y1602 WeakPolarHBondContact OG1-CE2 3.4Å; Y1602-L1617 HydrophobicContact CD1-CB 3.8Å; Y1602-L1617 HydrophobicContact CG-CB 4.15Å; Y1602-V1618 CarbonylContact C-O 3.54Å; Y1602-V1618 WeakPolarHBondContact CA-O 3.46Å; Y1602-R1619 HydrophobicContact CD1-CB 4.27Å; Y1602-R1619 HydrophobicContact CE1-CB 4.28Å
1603S92.9Very high90.2Very high2 Ų244 Ų441%0.01424%0.236CC..EExtended strand (participates in β ladder)trans-117.4164.716282.40000112.1T11 V1618 C1620T11-S1603 WeakPolarHBondContact OG1-CB 3.38Å; T11-S1603 PolarHBondContact OG1-OG 3.42Å; S1603-V1618 PolarHBondContact N-O 3.05Å; S1603-V1618 PolarHBondContact O-N 3.25Å; S1603-C1620 VanDerWaalsContact CB-SG 3.53Å; S1603-C1620 PolarHBondContact OG-SG 3.41Å; S1603-C1620 VanDerWaalsContact OG-SG 3.34Å
1604Y92.8Very high89.9Confident95 Ų9544 Ų4437%0.37324%0.236SC..  trans-105.795.4161174.1-100.4000108.1L1554 V1567 P1606 G1614L1554-Y1604 HydrophobicContact CD2-CD2 4.31Å; L1554-Y1604 HydrophobicContact CD2-CG 4.21Å; V1567-Y1604 HydrophobicContact CG1-CD2 4.09Å; V1567-Y1604 HydrophobicContact CG1-CE1 4.32Å; V1567-Y1604 HydrophobicContact CG1-CE2 3.48Å; V1567-Y1604 VanDerWaalsContact CG1-CE2 3.48Å; Y1604-P1606 HydrophobicContact CE1-CG 4.11Å; Y1604-G1614 VanDerWaalsContact CE2-O 3.29Å; Y1604-G1614 WeakPolarHBondContact CE2-O 3.34Å
1605D89.1Confident89.9Confident14 Ų1453.4 Ų53.48%0.07527%0.271CS..  trans-118.6100173.5-170.4-28.3000108.7P10 T11 L1607 D1608 S1611P10-D1605 WeakPolarHBondContact CA-OD2 3.27Å; T11-D1605 PolarHBondContact N-OD2 2.99Å; T11-D1605 VanDerWaalsContact N-OD2 3.12Å; D1605-L1607 PolarHBondContact O-N 3.21Å; D1605-L1607 WeakPolarHBondContact OD1-CB 3.44Å; D1605-L1607 PolarHBondContact OD1-N 3.2Å; D1605-D1608 HydrophobicContact CB-CB 4.13Å; D1605-D1608 PolarHBondContact O-N 3.21Å; D1605-D1608 PolarHBondContact OD1-N 3.46Å; D1605-S1611 WeakPolarHBondContact O-CB 3.03Å; D1605-S1611 PolarHBondContact O-OG 2.93Å; D1605-S1611 VanDerWaalsContact O-OG 3.09Å
1606P88.6Confident90Very high59 Ų5953.2 Ų53.238%0.38327%0.267SS..SBendtrans-75.7-7-178.131.6-35.6000113.7Y1604Y1604-P1606 HydrophobicContact CE1-CG 4.11Å
1607L88.1Confident90.2Very high129 Ų12951 Ų5168%0.67526%0.255SS*.SBendtrans-90.1-27.5176.8-58176.6000111.5T7 D1605 P1609T7-L1607 WeakPolarHBondContact O-CD1 3.3Å; D1605-L1607 PolarHBondContact O-N 3.21Å; D1605-L1607 WeakPolarHBondContact OD1-CB 3.44Å; D1605-L1607 PolarHBondContact OD1-N 3.2Å; L1607-P1609 WeakPolarHBondContact O-CD 3.34Å
1608D85.6Confident90.3Very high37 Ų3751.6 Ų51.620%0.19826%0.259CS..SBendtrans-62.5122.9172.1-171.4-49000110.7D1605 S1610 S1611 V1618D1605-D1608 HydrophobicContact CB-CB 4.13Å; D1605-D1608 PolarHBondContact O-N 3.21Å; D1605-D1608 PolarHBondContact OD1-N 3.46Å; D1608-S1610 VanDerWaalsContact CG-OG 3.3Å; D1608-S1610 PolarHBondContact O-N 3.06Å; D1608-S1610 VanDerWaalsContact O-N 3.15Å; D1608-S1610 WeakPolarHBondContact OD1-CA 3.32Å; D1608-S1610 WeakPolarHBondContact OD1-CB 3.41Å; D1608-S1610 PolarHBondContact OD1-N 3.19Å; D1608-S1610 PolarHBondContact OD1-OG 3.44Å; D1608-S1611 VanDerWaalsContact O-CB 3.28Å; D1608-S1611 WeakPolarHBondContact O-CB 3.28Å; D1608-S1611 PolarHBondContact O-N 2.77Å; D1608-S1611 PolarHBondContact O-OG 2.85Å; D1608-V1618 HydrophobicContact CB-CG2 4.28Å
1609P86Confident90.2Very high121 Ų12153.1 Ų53.179%0.78626%0.264SS*.G310 helixtrans-57.5-28.9179.4-26.835.7000114.7L1607 S1611 R1612L1607-P1609 WeakPolarHBondContact O-CD 3.34Å; P1609-S1611 PolarHBondContact O-N 2.89Å; P1609-R1612 PolarHBondContact O-N 3.2Å
1610S85.4Confident90.1Very high57 Ų5753.2 Ų53.240%0.39927%0.265SS..G310 helixtrans-68.7-21.8179.273.30000113.2D1608 R1612D1608-S1610 VanDerWaalsContact CG-OG 3.3Å; D1608-S1610 PolarHBondContact O-N 3.06Å; D1608-S1610 VanDerWaalsContact O-N 3.15Å; D1608-S1610 WeakPolarHBondContact OD1-CA 3.32Å; D1608-S1610 WeakPolarHBondContact OD1-CB 3.41Å; D1608-S1610 PolarHBondContact OD1-N 3.19Å; D1608-S1610 PolarHBondContact OD1-OG 3.44Å; S1610-R1612 PolarHBondContact O-N 3.19Å
1611S88Confident90Very high0 Ų053.2 Ų53.20%027%0.265CS..G310 helixtrans-69.9-14.5173.776.70000113.7D1605 D1608 P1609 S1613 G1614 R1615 R1616D1605-S1611 WeakPolarHBondContact O-CB 3.03Å; D1605-S1611 PolarHBondContact O-OG 2.93Å; D1605-S1611 VanDerWaalsContact O-OG 3.09Å; D1608-S1611 VanDerWaalsContact O-CB 3.28Å; D1608-S1611 WeakPolarHBondContact O-CB 3.28Å; D1608-S1611 PolarHBondContact O-N 2.77Å; D1608-S1611 PolarHBondContact O-OG 2.85Å; P1609-S1611 PolarHBondContact O-N 2.89Å; S1611-S1613 PolarHBondContact OG-N 3.04Å; S1611-G1614 CarbonylContact O-C 3.25Å; S1611-G1614 PolarHBondContact O-N 2.98Å; S1611-G1614 PolarHBondContact OG-N 3.26Å; S1611-R1615 PolarHBondContact O-N 2.96Å; S1611-R1615 VanDerWaalsContact O-N 3.1Å; S1611-R1616 WeakPolarHBondContact CA-O 3.49Å; S1611-R1616 WeakPolarHBondContact CB-O 3.29Å; S1611-R1616 WeakPolarHBondContact O-CB 3.38Å; S1611-R1616 PolarHBondContact O-N 2.98Å
1612R88.8Confident89.9Confident177 Ų17753.3 Ų53.367%0.66827%0.266SS*.THydrogen-bonded Turntrans52.253.8-170.2-56.5179175.8179.4-2.4111.7P1609 S1610P1609-R1612 PolarHBondContact O-N 3.2Å; S1610-R1612 PolarHBondContact O-N 3.19Å
1613S88.6Confident89.9Confident102 Ų10253.6 Ų53.671%0.71327%0.267SS*.THydrogen-bonded Turntrans59.750.1-175.6-510000112.5S1611 R1615S1611-S1613 PolarHBondContact OG-N 3.04Å; S1613-R1615 VanDerWaalsContact C-N 3.25Å; S1613-R1615 PolarHBondContact O-N 2.85Å
1614G88.2Confident89.8Confident1 Ų155.9 Ų55.91%0.0128%0.276CS..THydrogen-bonded Turntrans79.4-14.3176.700000115.9S1568 Y1604 S1611 R1616S1568-G1614 VanDerWaalsContact CB-O 3.22Å; S1568-G1614 WeakPolarHBondContact CB-O 3.2Å; S1568-G1614 PolarHBondContact OG-O 2.91Å; Y1604-G1614 VanDerWaalsContact CE2-O 3.29Å; Y1604-G1614 WeakPolarHBondContact CE2-O 3.34Å; S1611-G1614 CarbonylContact O-C 3.25Å; S1611-G1614 PolarHBondContact O-N 2.98Å; S1611-G1614 PolarHBondContact OG-N 3.26Å; G1614-R1616 PolarHBondContact O-N 3.09Å
1615R91Very high89.7Confident199 Ų19951.6 Ų51.675%0.75126%0.259SS*.THydrogen-bonded Turntrans-64.6-21.6-176.1-67.7-177.2173.6-172.3-1.9114.4R1569 S1611 S1613R1569-R1615 PolarHBondContact N-O 3.45Å; S1611-R1615 PolarHBondContact O-N 2.96Å; S1611-R1615 VanDerWaalsContact O-N 3.1Å; S1613-R1615 VanDerWaalsContact C-N 3.25Å; S1613-R1615 PolarHBondContact O-N 2.85Å
1616R91.7Very high89.6Confident66 Ų6652.1 Ų52.125%0.24926%0.263CS..BIsolated β-bridgetrans-117.2137.4175.9-171.4-167.2-178.2-168.21.9110.1S1568 R1569 S1611 G1614S1568-R1616 PolarHBondContact OG-N 3.21Å; R1569-R1616 WeakPolarHBondContact O-CA 3.46Å; S1611-R1616 WeakPolarHBondContact CA-O 3.49Å; S1611-R1616 WeakPolarHBondContact CB-O 3.29Å; S1611-R1616 WeakPolarHBondContact O-CB 3.38Å; S1611-R1616 PolarHBondContact O-N 2.98Å; G1614-R1616 PolarHBondContact O-N 3.09Å
1617L92.7Very high89.5Confident1 Ų150 Ų501%0.00525%0.25CS..PPolyproline II helixtrans-69.1138.4168.8-67.5176.2000111.3V1552 L1554 S1568 R1569 F1590 Y1602V1552-L1617 HydrophobicContact CG2-CD1 3.86Å; L1554-L1617 HydrophobicContact CB-CD2 4.47Å; L1554-L1617 HydrophobicContact CD2-CD2 4.34Å; S1568-L1617 PolarHBondContact OG-N 3.01Å; R1569-L1617 PolarHBondContact O-N 3.03Å; F1590-L1617 HydrophobicContact CD2-CD2 3.84Å; F1590-L1617 HydrophobicContact CE2-CD2 3.92Å; Y1602-L1617 HydrophobicContact CD1-CB 3.8Å; Y1602-L1617 HydrophobicContact CG-CB 4.15Å
1618V90.7Very high89.6Confident14 Ų1448.4 Ų48.49%0.08524%0.235CC..EExtended strand (participates in β ladder)trans-98.1122.5-176.1-179.80000109.4Y1602 S1603 D1608 C1620Y1602-V1618 CarbonylContact C-O 3.54Å; Y1602-V1618 WeakPolarHBondContact CA-O 3.46Å; S1603-V1618 PolarHBondContact N-O 3.05Å; S1603-V1618 PolarHBondContact O-N 3.25Å; D1608-V1618 HydrophobicContact CB-CG2 4.28Å; V1618-C1620 PolarHBondContact O-N 2.88Å; V1618-C1620 PolarHBondContact O-SG 3.43Å
1619R90.1Very high90Very high32 Ų3246.8 Ų46.812%0.12123%0.226CC..EExtended strand (participates in β ladder)trans-71.4121.6175.1-170166.973.7-138.7-7.1108.9Y1602 D1622 Y1766 E1772 A1774 N1775 C1777Y1602-R1619 HydrophobicContact CD1-CB 4.27Å; Y1602-R1619 HydrophobicContact CE1-CB 4.28Å; R1619-D1622 VanDerWaalsContact CD-OD2 3.25Å; R1619-D1622 WeakPolarHBondContact CD-OD2 3.15Å; R1619-D1622 HydrophobicContact CG-CB 4.45Å; R1619-D1622 IonicContact CZ-OD2 2.9Å; R1619-D1622 IonicContact NE-OD2 2.75Å; R1619-D1622 PolarHBondContact NE-OD2 3.22Å; R1619-Y1766 PolarHBondContact NH1-OH 3.25Å; R1619-E1772 IonicContact CZ-OE2 3.13Å; R1619-E1772 IonicContact NH1-OE1 2.76Å; R1619-E1772 PolarHBondContact NH1-OE1 2.82Å; R1619-E1772 IonicContact NH1-OE2 2.61Å; R1619-E1772 PolarHBondContact NH1-OE2 3.16Å; R1619-E1772 IonicContact NH2-OE2 2.69Å; R1619-E1772 PolarHBondContact NH2-OE2 3.02Å; R1619-A1774 PolarHBondContact NH2-O 2.82Å; R1619-N1775 PolarHBondContact NH2-O 3.37Å; R1619-C1777 PolarHBondContact O-SG 2.92Å; R1619-C1777 VanDerWaalsContact O-SG 3.32Å
1620C90.7Very high90.2Very high6 Ų642.9 Ų42.94%0.04120%0.2CC..EExtended strand (participates in β ladder)trans-110.6-34.7-171.9-71.80000113.2T11 F13 I1601 S1603 V1618 K1779T11-C1620 PolarHBondContact O-SG 2.99Å; F13-C1620 HydrophobicContact CD2-CB 3.82Å; I1601-C1620 PolarHBondContact O-N 3.19Å; S1603-C1620 VanDerWaalsContact CB-SG 3.53Å; S1603-C1620 PolarHBondContact OG-SG 3.41Å; S1603-C1620 VanDerWaalsContact OG-SG 3.34Å; V1618-C1620 PolarHBondContact O-N 2.88Å; V1618-C1620 PolarHBondContact O-SG 3.43Å; C1620-K1779 WeakPolarHBondContact O-CD 3.37Å; C1620-K1779 PolarHBondContact O-NZ 2.98Å
1621A92.5Very high90.6Very high0 Ų040.7 Ų40.70%019%0.185CC..EExtended strand (participates in β ladder)trans-145.2148.6173.400000109.7I1601 G1778 K1779I1601-A1621 HydrophobicContact CB-CB 4.3Å; I1601-A1621 HydrophobicContact CD1-CB 4.32Å; I1601-A1621 PolarHBondContact N-O 3.4Å; I1601-A1621 PolarHBondContact O-N 2.83Å; A1621-G1778 CarbonylContact C-O 3.53Å; A1621-G1778 WeakPolarHBondContact CA-O 3.38Å; A1621-G1778 WeakPolarHBondContact CB-O 3.38Å; A1621-K1779 HydrophobicContact CB-CB 3.93Å
1622D93Very high90.9Very high5 Ų541.6 Ų41.63%0.02719%0.192CC..EExtended strand (participates in β ladder)trans-151.8151.1178.549.749.9000112.6V1599 T1600 R1619 Y1766 C1777 G1778V1599-D1622 WeakPolarHBondContact O-CA 3.21Å; T1600-D1622 HydrophobicContact CG2-CB 4.01Å; R1619-D1622 VanDerWaalsContact CD-OD2 3.25Å; R1619-D1622 WeakPolarHBondContact CD-OD2 3.15Å; R1619-D1622 HydrophobicContact CG-CB 4.45Å; R1619-D1622 IonicContact CZ-OD2 2.9Å; R1619-D1622 IonicContact NE-OD2 2.75Å; R1619-D1622 PolarHBondContact NE-OD2 3.22Å; D1622-Y1766 HydrophobicContact CB-CD2 4.07Å; D1622-Y1766 HydrophobicContact CB-CG 4.27Å; D1622-C1777 PolarHBondContact OD1-N 3.15Å; D1622-C1777 WeakPolarHBondContact OD2-CB 3.42Å; D1622-C1777 PolarHBondContact OD2-N 2.93Å; D1622-G1778 PolarHBondContact N-O 3.21Å; D1622-G1778 CarbonylContact O-C 3.54Å; D1622-G1778 WeakPolarHBondContact O-CA 3.27Å; D1622-G1778 PolarHBondContact OD1-N 3.42Å
1623M92.4Very high91.2Very high9 Ų934.4 Ų34.44%0.04417%0.166CC..EExtended strand (participates in β ladder)trans-157.4173.1171.575.7-178.8-49.900111F17 N1598 V1599 I1730 W1764 V1780F17-M1623 HydrophobicContact CB-CE 3.64Å; F17-M1623 HydrophobicContact CB-SD 3.87Å; F17-M1623 HydrophobicContact CD1-CE 4.2Å; F17-M1623 HydrophobicContact CD2-CE 4.12Å; F17-M1623 HydrophobicContact CD2-SD 4.27Å; F17-M1623 HydrophobicContact CG-CE 3.72Å; F17-M1623 HydrophobicContact CG-SD 4.24Å; N1598-M1623 CarbonylContact C-O 3.47Å; N1598-M1623 VanDerWaalsContact CA-O 3.28Å; N1598-M1623 WeakPolarHBondContact CA-O 3.41Å; V1599-M1623 HydrophobicContact CB-CG 4.37Å; V1599-M1623 PolarHBondContact N-O 3.19Å; V1599-M1623 PolarHBondContact O-N 2.81Å; M1623-I1730 HydrophobicContact SD-CD1 3.67Å; M1623-I1730 HydrophobicContact SD-CG1 4.44Å; M1623-W1764 CarbonylContact C-O 3.55Å; M1623-W1764 WeakPolarHBondContact CA-O 3.4Å; M1623-W1764 HydrophobicContact CE-CB 4.32Å; M1623-V1780 HydrophobicContact CB-CB 4.35Å; M1623-V1780 HydrophobicContact CB-CG2 4.02Å; M1623-V1780 HydrophobicContact CE-CB 4.35Å; M1623-V1780 HydrophobicContact CE-CG1 4.12Å; M1623-V1780 HydrophobicContact CG-CG2 4.13Å; M1623-V1780 HydrophobicContact SD-CB 3.91Å; M1623-V1780 HydrophobicContact SD-CG1 3.63Å; M1623-V1780 HydrophobicContact SD-CG2 3.87Å
1624R92Very high91.4Very high50 Ų5033.4 Ų33.419%0.18915%0.147CC..EExtended strand (participates in β ladder)trans-110.5123.9166.6-172.9180-176.3-168-0.7109.8E99 L1596 W1764 S1765E99-R1624 IonicContact OE1-CZ 3.75Å; E99-R1624 IonicContact OE1-NH1 3.95Å; E99-R1624 PolarHBondContact OE1-NH1 3.4Å; E99-R1624 IonicContact OE1-NH2 2.76Å; L1596-R1624 PolarHBondContact O-NE 3.01Å; R1624-W1764 PolarHBondContact N-O 2.89Å; R1624-W1764 WeakPolarHBondContact O-CA 3.42Å; R1624-S1765 WeakPolarHBondContact CB-O 3.47Å
1625L90.8Very high91.5Very high5 Ų534.2 Ų34.23%0.02615%0.152CC..  trans-69.5153.1170.5-69.4174.3000110.1F17 G1597 V1599 S1627 A1629 Y1728 I1730F17-L1625 HydrophobicContact CD2-CD2 3.77Å; F17-L1625 HydrophobicContact CE2-CD2 3.53Å; G1597-L1625 WeakPolarHBondContact O-CB 3.22Å; G1597-L1625 PolarHBondContact O-N 3.3Å; V1599-L1625 HydrophobicContact CG2-CD1 3.52Å; V1599-L1625 HydrophobicContact CG2-CD2 4.36Å; V1599-L1625 HydrophobicContact CG2-CG 3.7Å; L1625-S1627 VanDerWaalsContact CB-O 3.31Å; L1625-S1627 WeakPolarHBondContact CB-O 3.49Å; L1625-S1627 PolarHBondContact O-N 2.9Å; L1625-A1629 HydrophobicContact CD1-CB 3.78Å; L1625-Y1728 HydrophobicContact CB-CE2 4.38Å; L1625-Y1728 HydrophobicContact CD1-CD2 4.04Å; L1625-Y1728 HydrophobicContact CD1-CE2 4.4Å; L1625-Y1728 HydrophobicContact CD2-CD2 3.97Å; L1625-Y1728 HydrophobicContact CD2-CG 4.2Å; L1625-Y1728 HydrophobicContact CG-CD2 4.44Å; L1625-I1730 HydrophobicContact CD2-CD1 4.13Å
1626P86.5Confident91.4Very high24 Ų2426.8 Ų26.816%0.15613%0.132CC..SBendtrans-60.6-28.3173-23.935000113.5F17 N76 Y1728F17-P1626 HydrophobicContact CZ-CG 3.97Å; N76-P1626 PolarHBondContact ND2-O 2.82Å; N76-P1626 PolarHBondContact OD1-O 2.99Å; P1626-Y1728 HydrophobicContact CG-CE1 4.31Å
1627S87.3Confident91.1Very high16 Ų1624.2 Ų24.211%0.11212%0.124CC..SBendtrans-142.7162.5177.4-167.90000111.9L1625 A1629 N1724 Y1728L1625-S1627 VanDerWaalsContact CB-O 3.31Å; L1625-S1627 WeakPolarHBondContact CB-O 3.49Å; L1625-S1627 PolarHBondContact O-N 2.9Å; S1627-A1629 PolarHBondContact O-N 3.32Å; S1627-N1724 WeakPolarHBondContact CB-OD1 3.32Å; S1627-N1724 VanDerWaalsContact OG-CG 3.32Å; S1627-N1724 PolarHBondContact OG-OD1 3.08Å; S1627-Y1728 WeakPolarHBondContact CB-OH 3.37Å; S1627-Y1728 PolarHBondContact N-OH 2.86Å
1628R90.4Very high90.5Very high95 Ų9529.4 Ų29.436%0.35814%0.143SC..  trans-64.3120.4175.2-68-177.8-70.7-146.2-1.3110.1E1595 S1722 Q1723E1595-R1628 VanDerWaalsContact O-CD 3.22Å; E1595-R1628 WeakPolarHBondContact O-CD 3.18Å; E1595-R1628 WeakPolarHBondContact O-CG 3.15Å; R1628-S1722 WeakPolarHBondContact O-CA 2.99Å; R1628-S1722 WeakPolarHBondContact O-CB 3.38Å; R1628-Q1723 PolarHBondContact O-N 2.75Å; R1628-Q1723 VanDerWaalsContact O-N 3.15Å
1629A92.2Very high89.9Confident2 Ų231.8 Ų31.82%0.01716%0.155CC..EExtended strand (participates in β ladder)trans-80.3120.2170.700000110.3Y1577 T1578 L1625 S1627 F1720 G1721Y1577-A1629 WeakPolarHBondContact CB-O 3.43Å; T1578-A1629 HydrophobicContact CG2-CB 4.47Å; L1625-A1629 HydrophobicContact CD1-CB 3.78Å; S1627-A1629 PolarHBondContact O-N 3.32Å; A1629-F1720 HydrophobicContact CB-CB 3.82Å; A1629-F1720 HydrophobicContact CB-CD1 3.45Å; A1629-F1720 VanDerWaalsContact CB-CD1 3.45Å; A1629-F1720 HydrophobicContact CB-CE1 4.15Å; A1629-F1720 HydrophobicContact CB-CG 3.94Å; A1629-G1721 CarbonylContact C-O 3.56Å; A1629-G1721 WeakPolarHBondContact CA-O 3.32Å
1630T92Very high89.2Confident39 Ų3932.9 Ų32.924%0.23916%0.159CC..EExtended strand (participates in β ladder)trans-85.9-37.9-179.947.60000111.9M539 G1721 Q1723M539-T1630 WeakPolarHBondContact O-CB 3.44Å; M539-T1630 PolarHBondContact O-OG1 2.89Å; T1630-G1721 PolarHBondContact N-O 2.79Å; T1630-G1721 PolarHBondContact OG1-O 2.81Å; T1630-Q1723 HydrophobicContact CG2-CB 4.22Å
1631C93.4Very high88.8Confident11 Ų1133.9 Ų33.97%0.07416%0.163CC..EExtended strand (participates in β ladder)trans-138.2159.6-175.2560000111.3L542 F1720 G1721L542-C1631 HydrophobicContact CB-CB 4.44Å; C1631-F1720 VanDerWaalsContact O-CA 3.3Å; C1631-F1720 WeakPolarHBondContact O-CA 3.48Å; C1631-G1721 PolarHBondContact O-N 2.89Å; C1631-G1721 VanDerWaalsContact O-N 3.1Å
1632S94.7Very high88.1Confident20 Ų2034.5 Ų34.514%0.1417%0.169CC..EExtended strand (participates in β ladder)trans-143.9141.617767.10000113.7T1578 N1580 Y1719T1578-S1632 PolarHBondContact OG1-OG 2.82Å; T1578-S1632 VanDerWaalsContact OG1-OG 3.05Å; N1580-S1632 PolarHBondContact ND2-OG 2.96Å; N1580-S1632 VanDerWaalsContact ND2-OG 3.09Å; S1632-Y1719 CarbonylContact C-O 3.5Å; S1632-Y1719 WeakPolarHBondContact CA-O 3.36Å; S1632-Y1719 WeakPolarHBondContact CB-O 3.43Å
1633L94.3Very high87.5Confident25 Ų2534.3 Ų34.313%0.13117%0.168CC..EExtended strand (participates in β ladder)trans-123.6135.6178.3178.766.2000109.8L542 L574 V1635 I1718 Y1719 F1825L542-L1633 HydrophobicContact CB-CB 4.44Å; L542-L1633 HydrophobicContact CD2-CB 3.92Å; L542-L1633 HydrophobicContact CG-CB 4.12Å; L574-L1633 HydrophobicContact CD1-CD2 3.53Å; L1633-V1635 HydrophobicContact CD2-CG2 4.33Å; L1633-V1635 HydrophobicContact CG-CG2 4.24Å; L1633-I1718 CarbonylContact O-C 3.43Å; L1633-I1718 WeakPolarHBondContact O-CA 3.45Å; L1633-Y1719 PolarHBondContact N-O 3.13Å; L1633-Y1719 PolarHBondContact O-N 3.19Å; L1633-F1825 HydrophobicContact CD2-CZ 4.17Å
1634R92.7Very high86.8Confident81 Ų8138 Ų3831%0.30619%0.187SC..EExtended strand (participates in β ladder)trans-106121.6-177.2178.416151.997.21.9111N1580 F1581 Q1716 I1718N1580-R1634 WeakPolarHBondContact OD1-CD 3.37Å; N1580-R1634 PolarHBondContact OD1-NE 2.91Å; F1581-R1634 WeakPolarHBondContact O-CD 3.29Å; R1634-Q1716 VanDerWaalsContact CD-OE1 3.3Å; R1634-Q1716 HydrophobicContact CG-CB 3.96Å; R1634-I1718 HydrophobicContact CB-CG1 4.39Å; R1634-I1718 HydrophobicContact CG-CG1 4.34Å
1635V90.8Very high85.8Confident19 Ų1938.1 Ų38.112%0.11520%0.196CC..EExtended strand (participates in β ladder)trans-120.5131.6-170.3-175.60000109.3L1633 N1637 Q1716 S1717 Y1719 H1824 F1825L1633-V1635 HydrophobicContact CD2-CG2 4.33Å; L1633-V1635 HydrophobicContact CG-CG2 4.24Å; V1635-N1637 PolarHBondContact O-N 2.98Å; V1635-Q1716 CarbonylContact O-C 3.37Å; V1635-Q1716 WeakPolarHBondContact O-CA 3.4Å; V1635-Q1716 WeakPolarHBondContact O-CB 3.49Å; V1635-S1717 PolarHBondContact N-O 3.05Å; V1635-S1717 PolarHBondContact O-N 2.66Å; V1635-Y1719 HydrophobicContact CB-CD2 4.11Å; V1635-Y1719 HydrophobicContact CB-CE2 4Å; V1635-Y1719 HydrophobicContact CG1-CE2 4.46Å; V1635-Y1719 HydrophobicContact CG2-CD2 3.57Å; V1635-Y1719 HydrophobicContact CG2-CE2 3.82Å; V1635-Y1719 HydrophobicContact CG2-CG 4.46Å; V1635-H1824 HydrophobicContact CG1-CB 4.05Å; V1635-F1825 HydrophobicContact CG1-CZ 4.34Å; V1635-F1825 HydrophobicContact CG2-CE2 3.99Å; V1635-F1825 HydrophobicContact CG2-CZ 3.65Å
1636A88.3Confident84.9Confident42 Ų4239.6 Ų39.635%0.34720%0.204SC..EExtended strand (participates in β ladder)trans-78.2120.2179.600000111.5R1638 Q1716 H1824A1636-R1638 PolarHBondContact O-N 3.28Å; A1636-Q1716 HydrophobicContact CB-CG 4.38Å; A1636-H1824 PolarHBondContact O-CE1 2.83Å
1637N85.7Confident83.6Confident12 Ų1244.8 Ų44.86%0.06423%0.225CC..  trans-63.8127.8178.7-69.728.4000109.5V1635 R1715 S1717 T1821V1635-N1637 PolarHBondContact O-N 2.98Å; N1637-R1715 HydrophobicContact CB-CB 4.08Å; N1637-R1715 WeakPolarHBondContact CB-O 3.22Å; N1637-R1715 PolarHBondContact N-O 2.83Å; N1637-S1717 PolarHBondContact ND2-OG 2.99Å; N1637-S1717 WeakPolarHBondContact OD1-CB 3.28Å; N1637-S1717 PolarHBondContact OD1-N 3.32Å; N1637-S1717 PolarHBondContact OD1-OG 2.9Å; N1637-T1821 WeakPolarHBondContact CB-O 3.25Å; N1637-T1821 PolarHBondContact ND2-O 3.38Å
1638R79.4Confident81.5Confident110 Ų11048.9 Ų48.942%0.41525%0.251SS..  trans-125.6138.8170.7-64.4-173.2-176.4-170.50.1107.7E568 A1636 R1640 H1824E568-R1638 PolarHBondContact O-NH1 2.81Å; A1636-R1638 PolarHBondContact O-N 3.28Å; R1638-R1640 HydrophobicContact CB-CG 4.29Å; R1638-R1640 PolarHBondContact O-N 3.25Å; R1638-R1640 VanDerWaalsContact O-N 3.16Å; R1638-H1824 PolarHBondContact N-CE1 3.09Å
1639L79.7Confident79.1Confident64 Ų6448.6 Ų48.634%0.33526%0.263SS..  trans-68.6110.9169.3-176.871.4000107.7V1221 L1644 A1820 T1821V1221-L1639 HydrophobicContact CG2-CD2 4.24Å; L1639-L1644 HydrophobicContact CD2-CD1 4.37Å; L1639-L1644 HydrophobicContact CG-CD1 4.2Å; L1639-L1644 WeakPolarHBondContact O-CD1 3.44Å; L1639-A1820 HydrophobicContact CD1-CB 3.76Å; L1639-T1821 HydrophobicContact CB-CG2 4.37Å; L1639-T1821 HydrophobicContact CD1-CG2 3.66Å
1640R75.5Confident76.1Confident55 Ų5554.2 Ų54.221%0.20830%0.303CS..  trans-121.8120.1-179.6-75.1175.1161.7-162-7.9108.6M569 R1638 A1820 L1823M569-R1640 PolarHBondContact O-NH2 3.02Å; R1638-R1640 HydrophobicContact CB-CG 4.29Å; R1638-R1640 PolarHBondContact O-N 3.25Å; R1638-R1640 VanDerWaalsContact O-N 3.16Å; R1640-A1820 PolarHBondContact N-O 3.3Å; R1640-A1820 WeakPolarHBondContact O-CA 3.45Å; R1640-A1820 WeakPolarHBondContact O-CB 3.49Å; R1640-L1823 WeakPolarHBondContact CD-O 3.24Å
1641H80.9Confident73Confident28 Ų2858.2 Ų58.213%0.1333%0.327CS..  trans-157139.7177.7-165.5-84.8000108.7G1258 L1643 L1644 A1820G1258-H1641 PolarHBondContact O-CE1 3.48Å; G1258-H1641 VanDerWaalsContact O-CE1 3.26Å; H1641-L1643 VanDerWaalsContact C-N 3.31Å; H1641-L1643 PolarHBondContact ND1-N 2.81Å; H1641-L1643 PolarHBondContact O-N 2.83Å; H1641-L1644 HydrophobicContact CB-CD1 4.35Å; H1641-L1644 HydrophobicContact CB-CG 4.32Å; H1641-L1644 WeakPolarHBondContact O-CB 3.46Å; H1641-L1644 PolarHBondContact O-N 2.96Å; H1641-A1820 HydrophobicContact CB-CB 4.48Å
1642A78.9Confident69.8Low13 Ų1363.5 Ų63.511%0.10736%0.359CS..G310 helixtrans-55.3-42.6-17500000113.4G1258 P1260 G1280 L1644 S1645G1258-A1642 WeakPolarHBondContact O-CB 3.38Å; P1260-A1642 HydrophobicContact CG-CB 4.35Å; G1280-A1642 VanDerWaalsContact C-CB 3.41Å; G1280-A1642 VanDerWaalsContact O-CB 3.22Å; G1280-A1642 WeakPolarHBondContact O-CB 3.31Å; A1642-L1644 PolarHBondContact O-N 3.43Å; A1642-S1645 PolarHBondContact O-N 2.87Å; A1642-S1645 VanDerWaalsContact O-N 3.08Å; A1642-S1645 PolarHBondContact O-OG 3.33Å
1643L80.1Confident66.5Low1 Ų169.2 Ų69.21%0.00539%0.393CS..G310 helixtrans-54.4-16174.4-61.1171.1000116A1217 V1221 I1227 Q1231 I1281 H1641 S1645 V1646A1217-L1643 HydrophobicContact CB-CD1 3.49Å; A1217-L1643 VanDerWaalsContact CB-CD1 3.49Å; V1221-L1643 HydrophobicContact CG1-CB 3.71Å; V1221-L1643 HydrophobicContact CG1-CD1 3.97Å; V1221-L1643 HydrophobicContact CG1-CG 4.49Å; I1227-L1643 HydrophobicContact CD1-CB 4.5Å; I1227-L1643 HydrophobicContact CG2-CB 3.91Å; I1227-L1643 HydrophobicContact CG2-CD1 3.69Å; I1227-L1643 HydrophobicContact CG2-CD2 4.24Å; I1227-L1643 HydrophobicContact CG2-CG 4.15Å; Q1231-L1643 HydrophobicContact CG-CD1 3.82Å; Q1231-L1643 HydrophobicContact CG-CD2 4.13Å; I1281-L1643 HydrophobicContact CD1-CD2 3.65Å; I1281-L1643 HydrophobicContact CG1-CD2 4.02Å; H1641-L1643 VanDerWaalsContact C-N 3.31Å; H1641-L1643 PolarHBondContact ND1-N 2.81Å; H1641-L1643 PolarHBondContact O-N 2.83Å; L1643-S1645 PolarHBondContact O-N 2.96Å; L1643-V1646 WeakPolarHBondContact O-CG2 3.43Å
1644L76.9Confident63.2Low86 Ų8672.5 Ų72.545%0.4542%0.424SS..G310 helixtrans-73.2-9.1176-63.4174.7000113.2V1221 L1639 H1641 A1642 V1646V1221-L1644 HydrophobicContact CG1-CD2 4.43Å; V1221-L1644 HydrophobicContact CG2-CD2 4.24Å; L1639-L1644 HydrophobicContact CD2-CD1 4.37Å; L1639-L1644 HydrophobicContact CG-CD1 4.2Å; L1639-L1644 WeakPolarHBondContact O-CD1 3.44Å; H1641-L1644 HydrophobicContact CB-CD1 4.35Å; H1641-L1644 HydrophobicContact CB-CG 4.32Å; H1641-L1644 WeakPolarHBondContact O-CB 3.46Å; H1641-L1644 PolarHBondContact O-N 2.96Å; A1642-L1644 PolarHBondContact O-N 3.43Å; L1644-V1646 VanDerWaalsContact C-N 3.25Å; L1644-V1646 PolarHBondContact O-N 3.39Å
1645S71.6Confident60Low53 Ų5374.6 Ų74.637%0.37145%0.451SS..G310 helixtrans-75.3-8.1176.167.70000114.4A1642 L1643 K1647A1642-S1645 PolarHBondContact O-N 2.87Å; A1642-S1645 VanDerWaalsContact O-N 3.08Å; A1642-S1645 PolarHBondContact O-OG 3.33Å; L1643-S1645 PolarHBondContact O-N 2.96Å; S1645-K1647 PolarHBondContact O-N 3.17Å
1646V70.7Confident56.8Low35 Ų3578.5 Ų78.521%0.21249%0.485CS..  trans-69.793.3-177.8-178.70000110.3I1281 L1643 L1644I1281-V1646 HydrophobicContact CD1-CG2 3.59Å; L1643-V1646 WeakPolarHBondContact O-CG2 3.43Å; L1644-V1646 VanDerWaalsContact C-N 3.25Å; L1644-V1646 PolarHBondContact O-N 3.39Å
1647K59.5Low54Low133 Ų13385.6 Ų85.658%0.57851%0.514SS*.  trans-54.6133.2176.1-69.6178.1175.5173.10110.1S1645 S1649S1645-K1647 PolarHBondContact O-N 3.17Å; K1647-S1649 PolarHBondContact O-N 2.78Å
1648P43Very low51Low103 Ų10392 Ų9267%0.66955%0.554SS**  trans-70.1102.9174.928.2-33.2000110.1S1650P1648-S1650 PolarHBondContact O-N 2.93Å
1649S40.2Very low48.5Very low88 Ų8891.2 Ų91.262%0.61557%0.57SS**  trans-44.9123.2176.942.70000113.8K1226 K1647K1226-S1649 PolarHBondContact NZ-OG 3.1Å; K1647-S1649 PolarHBondContact O-N 2.78Å
1650S29.9Very low45.8Very low121 Ų12191.2 Ų91.285%0.84659%0.586SS**  trans-11276.8-178.546.60000112P1648P1648-S1650 PolarHBondContact O-N 2.93Å
1651T27Very low43.4Very low123 Ų12395.2 Ų95.276%0.75562%0.617SS**  trans-112.4144161.940.90000108.3
1652T25.6Very low40.7Very low122 Ų12298.7 Ų98.775%0.74865%0.645SS**SBendcis-147.3169.526.1-31.50000112.5
1653T26.5Very low38Very low139 Ų139102.9 Ų102.985%0.85368%0.679SS**  trans77.3134.216665.50000118.5
1654A23.5Very low35.3Very low94 Ų94109.4 Ų109.478%0.77772%0.719SS**  trans-98.3148.4-175.600000112.4
1655S26.4Very low32.8Very low125 Ų125112.2 Ų112.287%0.87473%0.733SS**  trans-160.3115.4151.1-80.40000108.6
1656A24Very low30.6Very low101 Ų101118.9 Ų118.984%0.83576%0.759SS**  trans-83.1129.3-179.600000111.1
1657M28.3Very low28.2Very low191 Ų191122.4 Ų122.494%0.94178%0.776SS**  trans-138.694.4162.8-78.9-157.2167.100112.2
1658T23.7Very low26.5Very low147 Ų147120.3 Ų120.390%0.90278%0.778SS**  trans-6.1116.6156.4-45.10000119.5
1659A26.7Very low25.5Very low93 Ų93121 Ų12177%0.76978%0.781SS**  trans-159.6148.5139.700000107
1660G23.4Very low24.7Very low65 Ų65123.7 Ų123.767%0.6779%0.788SS**  cis88.7119.12100000110
1661T24.7Very low24.4Very low138 Ų138123.8 Ų123.885%0.84778%0.784SS**  cis-157.5169.97.8-33.20000109.6
1662S24.1Very low24.3Very low102 Ų102124 Ų12471%0.71379%0.785SS**  trans-14138.9170.1-47.90000119.5
1663A22.1Very low24.1Very low101 Ų101125.4 Ų125.484%0.83579%0.787SS**  trans-62.7147.1162.600000112.1
1664T23.9Very low24.1Very low138 Ų138124.5 Ų124.585%0.84778%0.777SS**  trans-153.8148.9161.3-220000109.9
1665I24.5Very low24.1Very low145 Ų145125.7 Ų125.774%0.74477%0.77SS**  trans-86.9133.3-171-60.8158.4000110.7
1666Q24.1Very low24.1Very low193 Ų193126.6 Ų126.690%0.90277%0.765SS**  trans-166.2175.6142.7-113.1169.921.300113.1
1667D21.4Very low24.1Very low108 Ų108126.9 Ų126.958%0.57876%0.76SS**  trans-124.9168.2-140.8-133.4-42.1000115.8F1435F1435-D1667 VanDerWaalsContact CE2-OD2 3.26Å; F1435-D1667 WeakPolarHBondContact CE2-OD2 3.47Å; F1435-D1667 WeakPolarHBondContact CZ-OD2 3.43Å
1668S23.3Very low24Very low90 Ų90128.2 Ų128.263%0.62976%0.755SS**  trans74.7115.7149.273.60000123.2
1669T22.1Very low24.1Very low118 Ų118126.3 Ų126.372%0.72474%0.743SS**  75.3122.9127.260.30000125.2
1670N23.2Very low24Very low143 Ų143128.1 Ų128.177%0.76574%0.74SS**  81.6149.9127.9-76.1-28000125.1
1671T24.4Very low24.1Very low123 Ų123130.1 Ų130.176%0.75574%0.743SS**  trans7393.5153.538.30000122.5
1672V23.4Very low24.2Very low127 Ų127129.2 Ų129.277%0.7774%0.737SS**  61.7116.2105.6173.20000120.9
1673L23.2Very low24.3Very low153 Ų153130.5 Ų130.580%0.80174%0.736SS**  trans83.8149.1150.3-112.374.4000122.7
1674D24.8Very low24.6Very low120 Ų120132.8 Ų132.864%0.64273%0.73SS**  trans75.492.5150.1-85.837.9000124.3
1675N25.4Very low24.7Very low119 Ų119133.7 Ų133.764%0.63673%0.726SS**  88.3125.3106.8-87.4-35.6000123.4
1676L24.5Very low24.9Very low144 Ų144132.6 Ų132.675%0.75472%0.722SS**  trans82.3123.1134.2-73.5167000122.8
1677S25.8Very low25.2Very low106 Ų106129.2 Ų129.274%0.74171%0.71SS**  trans82145.9138.383.10000117.7
1678R25.2Very low25.5Very low220 Ų220130.1 Ų130.183%0.8371%0.714SS**  cis-166.4149.3-0.9-128.4-176.1168.9166.5-3.6111.9
1679V25.1Very low25.7Very low107 Ų107135 Ų13565%0.64872%0.718SS**  47.5139.6121.8155.90000119.5
1680D24.9Very low25.9Very low131 Ų131136.6 Ų136.670%0.70172%0.718SS**  cis-171.3178.2-3.4-106.2-12000111.4
1681S26.5Very low26.1Very low107 Ų107134.9 Ų134.975%0.74872%0.717SS**  trans105.8119.9153.1-42.70000115.9
1682V26Very low26.2Very low119 Ų119136.9 Ų136.972%0.72172%0.718SS**  cis101.4138.816.8-176.90000115.1
1683N26.7Very low26.4Very low129 Ų129137.1 Ų137.169%0.6971%0.711SS**  trans95.2140.1176.7-57-55.7000115.8
1684Q27.8Very low26.4Very low149 Ų149137.7 Ų137.770%0.69671%0.709SS**  cis-160.1144.3-6.5-119.5166.639.700112.7
1685M26.8Very low26.3Very low156 Ų156136.8 Ų136.877%0.76871%0.712SS**  41155122.8-70.6-176.8174.900121.7
1686N28.8Very low26.4Very low122 Ų122137.9 Ų137.965%0.65272%0.723SS**  cis-165.3177.224.8-139.7-18.2000115.9
1687N28.9Very low26.3Very low123 Ų123135.6 Ų135.666%0.65873%0.725SS**  trans73.1159.5158.5-68.1-31.2000117.5
1688L28.5Very low26.4Very low127 Ų127135.2 Ų135.267%0.66573%0.729SS**  cis-166.3156.7-24.1-83.5158.7000104.3
1689R28.3Very low26.6Very low191 Ų191134.4 Ų134.472%0.72174%0.735SS**  cis-156.7156.2-7.1-114.7-170.1162.1116.86.4108.2
1690Q24.8Very low26.6Very low152 Ų152138.6 Ų138.671%0.7175%0.747SS**  52134.879-51.4178.9-25.400115.1
1691S29Very low26.8Very low108 Ų108135.6 Ų135.676%0.75575%0.747SS**  cis-140.4137.331.649.90000114.1
1692Q26.4Very low26.7Very low164 Ų164137.4 Ų137.477%0.76675%0.754SS**  76.7138.982.7-126.5-166.44800112.8
1693Q26.4Very low26.8Very low133 Ų133137.9 Ų137.962%0.62176%0.757SS**  cis-153.5157.134.4-81.9-174.48.900115.4
1694Q24Very low26.8Very low165 Ų165139 Ų13977%0.77176%0.763SS**  trans59.2137.4151-67.6175.258.800118.6
1695S23.5Very low27Very low101 Ų101138 Ų13871%0.70677%0.769SS**  cis-168.2179.6-4.156.50000107.7
1696T26.3Very low27Very low141 Ų141137.4 Ų137.487%0.86577%0.77SS**  cis-129.3-113.414.4550000113.2
1697A23.1Very low27.1Very low96 Ų96137.6 Ų137.679%0.79378%0.78SS**  trans-128.9128.1-163.200000114.7
1698A28.1Very low27.6Very low99 Ų99135.1 Ų135.182%0.81878%0.784SS**  trans-143.1129.315500000108.8Q1700A1698-Q1700 PolarHBondContact O-N 3.12Å
1699Q28.2Very low28.7Very low203 Ų203133.5 Ų133.595%0.94978%0.779SS**  trans-80.3109.8179.6-75.9-178.2-29.100110.7G1701Q1699-G1701 PolarHBondContact O-N 3.41Å
1700Q26.2Very low30.1Very low194 Ų194128.4 Ų128.491%0.90777%0.766SS**  trans-78.7108.9166.4-72.3-177.5-1700109.7A1698A1698-Q1700 PolarHBondContact O-N 3.12Å
1701G28Very low31.8Very low68 Ų68124 Ų12470%0.70175%0.751SS**  trans-80119.1165.600000110Q1699 T1703Q1699-G1701 PolarHBondContact O-N 3.41Å; G1701-T1703 PolarHBondContact O-N 2.9Å
1702T24.4Very low33.3Very low145 Ų145120.4 Ų120.489%0.8972%0.722SS**  trans-68.8126.9176.946.10000111
1703T28.4Very low35.2Very low130 Ų130119.9 Ų119.980%0.79872%0.717SS**  trans-122.5137.4173.548.50000110.6G1701G1701-T1703 PolarHBondContact O-N 2.9Å
1704N27.3Very low37.5Very low151 Ų151118.2 Ų118.281%0.80771%0.708SS**  trans-69.9132.9-175.6-70.8-21.7000111.5N1706N1704-N1706 VanDerWaalsContact C-N 3.25Å; N1704-N1706 PolarHBondContact O-N 2.77Å
1705P31.7Very low40.6Very low128 Ų128112 Ų11283%0.83168%0.677SS**SBendtrans-79.771.817133.9-34.7000110.3
1706N27.3Very low43.8Very low145 Ų145109.3 Ų109.378%0.77565%0.654SS**SBendtrans-153.6133172-111.3-38.7000112.7N1704N1704-N1706 VanDerWaalsContact C-N 3.25Å; N1704-N1706 PolarHBondContact O-N 2.77Å
1707S31Very low47Very low125 Ų125102.6 Ų102.687%0.87461%0.612SS**SBendtrans60.754.8175.668.20000117.4
1708G38.3Very low50.5Low71 Ų7198 Ų9873%0.73258%0.575SS**  trans-125.780.7173.100000113.5D1710G1708-D1710 PolarHBondContact O-N 2.93Å
1709V51.1Low53.7Low93 Ų9393.3 Ų93.356%0.56454%0.536SS*.  trans-65.7119.5171-170.90000108.8F1714V1709-F1714 HydrophobicContact CB-CE2 4.21Å; V1709-F1714 HydrophobicContact CB-CZ 4.46Å; V1709-F1714 HydrophobicContact CG1-CE2 3.57Å; V1709-F1714 HydrophobicContact CG1-CZ 3.72Å
1710D59.2Low56.9Low85 Ų8583.7 Ų83.746%0.45549%0.491SS..  trans-56120.1-177.3-169.9-28.4000110G1708 E1712 K1713G1708-D1710 PolarHBondContact O-N 2.93Å; D1710-E1712 PolarHBondContact O-N 2.88Å; D1710-E1712 WeakPolarHBondContact OD1-CG 3.36Å; D1710-E1712 PolarHBondContact OD1-N 3.09Å; D1710-K1713 PolarHBondContact O-N 3.21Å
1711P58.9Low60.1Low59 Ų5974.4 Ų74.438%0.38345%0.447SS..G310 helixtrans-59.2-16-177.824.9-35.5000113.7G1585 F1714G1585-P1711 WeakPolarHBondContact CA-O 3.12Å; P1711-F1714 PolarHBondContact O-N 3.04Å
1712E62.2Low63.2Low33 Ų3371.2 Ų71.215%0.15441%0.414CS..G310 helixtrans-77.6-25.1-178.6-53.6-155.3129.500113.5R1220 D1710 F1714 R1715 R1734R1220-E1712 IonicContact CZ-OE2 2.68Å; R1220-E1712 IonicContact NH1-OE2 3.98Å; R1220-E1712 PolarHBondContact NH1-OE2 3.48Å; D1710-E1712 PolarHBondContact O-N 2.88Å; D1710-E1712 WeakPolarHBondContact OD1-CG 3.36Å; D1710-E1712 PolarHBondContact OD1-N 3.09Å; E1712-F1714 PolarHBondContact O-N 3.48Å; E1712-R1715 PolarHBondContact O-N 2.93Å; E1712-R1715 VanDerWaalsContact O-N 3.11Å; E1712-R1715 IonicContact OE1-CZ 3.43Å; E1712-R1715 VanDerWaalsContact OE1-CZ 3.29Å; E1712-R1715 IonicContact OE1-NH1 3.65Å; E1712-R1715 PolarHBondContact OE1-NH1 2.92Å; E1712-R1715 IonicContact OE1-NH2 2.77Å; E1712-R1715 PolarHBondContact OE1-NH2 3.41Å; E1712-R1734 IonicContact OE1-CZ 2.91Å; E1712-R1734 VanDerWaalsContact OE1-CZ 3.23Å; E1712-R1734 IonicContact OE1-NE 2.82Å; E1712-R1734 PolarHBondContact OE1-NE 3.32Å; E1712-R1734 IonicContact OE1-NH2 3.73Å; E1712-R1734 PolarHBondContact OE1-NH2 3.45Å; E1712-R1734 IonicContact OE2-CZ 3.19Å; E1712-R1734 IonicContact OE2-NE 3.88Å; E1712-R1734 IonicContact OE2-NH2 3.23Å; E1712-R1734 PolarHBondContact OE2-NH2 3.22Å
1713K66.5Low66.3Low152 Ų15268 Ų6866%0.66139%0.389SS*.G310 helixtrans-62.8-8.2171.1-71.5-160174.3-1620113.6D1710D1710-K1713 PolarHBondContact O-N 3.21Å
1714F72.9Confident69.3Low98 Ų9862.5 Ų62.543%0.4336%0.355SS..G310 helixtrans-109.95.1177.9-55.2-76.8000114.1V1583 G1585 V1709 P1711 E1712V1583-F1714 WeakPolarHBondContact CG1-O 3.29Å; G1585-F1714 WeakPolarHBondContact O-CB 3.48Å; V1709-F1714 HydrophobicContact CB-CE2 4.21Å; V1709-F1714 HydrophobicContact CB-CZ 4.46Å; V1709-F1714 HydrophobicContact CG1-CE2 3.57Å; V1709-F1714 HydrophobicContact CG1-CZ 3.72Å; P1711-F1714 PolarHBondContact O-N 3.04Å; E1712-F1714 PolarHBondContact O-N 3.48Å
1715R89.1Confident72.3Confident34 Ų3455.3 Ų55.313%0.12832%0.316CS..  trans-69.9142.4171.7-81.2-164.2-174.3111.125.6111V1583 D1584 N1637 E1712 P1732V1583-R1715 WeakPolarHBondContact O-CA 3.38Å; D1584-R1715 IonicContact OD1-CZ 3.13Å; D1584-R1715 IonicContact OD1-NE 3.12Å; D1584-R1715 PolarHBondContact OD1-NE 2.87Å; D1584-R1715 IonicContact OD1-NH2 2.66Å; N1637-R1715 HydrophobicContact CB-CB 4.08Å; N1637-R1715 WeakPolarHBondContact CB-O 3.22Å; N1637-R1715 PolarHBondContact N-O 2.83Å; E1712-R1715 PolarHBondContact O-N 2.93Å; E1712-R1715 VanDerWaalsContact O-N 3.11Å; E1712-R1715 IonicContact OE1-CZ 3.43Å; E1712-R1715 VanDerWaalsContact OE1-CZ 3.29Å; E1712-R1715 IonicContact OE1-NH1 3.65Å; E1712-R1715 PolarHBondContact OE1-NH1 2.92Å; E1712-R1715 IonicContact OE1-NH2 2.77Å; E1712-R1715 PolarHBondContact OE1-NH2 3.41Å; R1715-P1732 HydrophobicContact CB-CG 4.04Å; R1715-P1732 WeakPolarHBondContact CD-O 3.19Å; R1715-P1732 HydrophobicContact CG-CG 4.01Å
1716Q92.1Very high75.2Confident45 Ų4549.2 Ų49.221%0.2128%0.277CS..EExtended strand (participates in β ladder)trans-134.9124.7176.6-51.5-170.7-3200110.3V1583 R1634 V1635 A1636 P1732V1583-Q1716 HydrophobicContact CB-CB 4.08Å; V1583-Q1716 HydrophobicContact CB-CG 3.94Å; V1583-Q1716 HydrophobicContact CG1-CG 4.42Å; V1583-Q1716 HydrophobicContact CG2-CG 4.39Å; V1583-Q1716 PolarHBondContact O-N 3.48Å; R1634-Q1716 VanDerWaalsContact CD-OE1 3.3Å; R1634-Q1716 HydrophobicContact CG-CB 3.96Å; V1635-Q1716 CarbonylContact O-C 3.37Å; V1635-Q1716 WeakPolarHBondContact O-CA 3.4Å; V1635-Q1716 WeakPolarHBondContact O-CB 3.49Å; A1636-Q1716 HydrophobicContact CB-CG 4.38Å; Q1716-P1732 WeakPolarHBondContact O-CD 3.41Å
1717S93.2Very high78.4Confident0 Ų042.3 Ų42.30%024%0.24CC..EExtended strand (participates in β ladder)trans-86.4153.9171-57.50000109.9V1635 N1637 G1731V1635-S1717 PolarHBondContact N-O 3.05Å; V1635-S1717 PolarHBondContact O-N 2.66Å; N1637-S1717 PolarHBondContact ND2-OG 2.99Å; N1637-S1717 WeakPolarHBondContact OD1-CB 3.28Å; N1637-S1717 PolarHBondContact OD1-N 3.32Å; N1637-S1717 PolarHBondContact OD1-OG 2.9Å; S1717-G1731 WeakPolarHBondContact OG-CA 3.29Å
1718I95.6Very high81.4Confident0 Ų036.4 Ų36.40%020%0.198CC..EExtended strand (participates in β ladder)trans-117121.6177.2-56.7155.8000108.1N1580 F1582 M1591 L1633 R1634 F1720 R1729 I1730N1580-I1718 HydrophobicContact CB-CD1 4.03Å; N1580-I1718 HydrophobicContact CB-CG1 4.44Å; N1580-I1718 HydrophobicContact CB-CG2 4.21Å; F1582-I1718 HydrophobicContact CB-CD1 4.5Å; F1582-I1718 HydrophobicContact CD2-CD1 4.04Å; M1591-I1718 HydrophobicContact CB-CD1 4.32Å; M1591-I1718 HydrophobicContact CE-CB 4.24Å; M1591-I1718 HydrophobicContact CE-CD1 3.77Å; M1591-I1718 HydrophobicContact CE-CG2 3.68Å; M1591-I1718 HydrophobicContact SD-CB 4.31Å; M1591-I1718 HydrophobicContact SD-CD1 3.47Å; M1591-I1718 WeakPolarHBondContact SD-CD1 3.18Å; M1591-I1718 HydrophobicContact SD-CG2 4.39Å; L1633-I1718 CarbonylContact O-C 3.43Å; L1633-I1718 WeakPolarHBondContact O-CA 3.45Å; R1634-I1718 HydrophobicContact CB-CG1 4.39Å; R1634-I1718 HydrophobicContact CG-CG1 4.34Å; I1718-F1720 HydrophobicContact CG2-CE2 4.49Å; I1718-R1729 WeakPolarHBondContact O-CA 3.31Å; I1718-I1730 PolarHBondContact N-O 3.23Å; I1718-I1730 PolarHBondContact O-N 3.16Å
1719Y95.7Very high84Confident1 Ų133.3 Ų33.30%0.00417%0.165CC..EExtended strand (participates in β ladder)trans-88.9145.5171.9-72.4-114000108.3I20 S1632 L1633 V1635 I1727 Y1728 R1729 T1822 F1825I20-Y1719 HydrophobicContact CD1-CE1 4.26Å; I20-Y1719 HydrophobicContact CG1-CD1 4.23Å; I20-Y1719 HydrophobicContact CG1-CE1 3.86Å; I20-Y1719 HydrophobicContact CG2-CE1 4.32Å; S1632-Y1719 CarbonylContact C-O 3.5Å; S1632-Y1719 WeakPolarHBondContact CA-O 3.36Å; S1632-Y1719 WeakPolarHBondContact CB-O 3.43Å; L1633-Y1719 PolarHBondContact N-O 3.13Å; L1633-Y1719 PolarHBondContact O-N 3.19Å; V1635-Y1719 HydrophobicContact CB-CD2 4.11Å; V1635-Y1719 HydrophobicContact CB-CE2 4Å; V1635-Y1719 HydrophobicContact CG1-CE2 4.46Å; V1635-Y1719 HydrophobicContact CG2-CD2 3.57Å; V1635-Y1719 HydrophobicContact CG2-CE2 3.82Å; V1635-Y1719 HydrophobicContact CG2-CG 4.46Å; Y1719-I1727 HydrophobicContact CD1-CG2 4.13Å; Y1719-Y1728 CarbonylContact C-O 3.5Å; Y1719-Y1728 VanDerWaalsContact CA-O 3.24Å; Y1719-Y1728 WeakPolarHBondContact CA-O 3.4Å; Y1719-R1729 HydrophobicContact CD2-CG 4.24Å; Y1719-R1729 HydrophobicContact CE1-CB 4.47Å; Y1719-R1729 HydrophobicContact CE2-CG 3.95Å; Y1719-T1822 PolarHBondContact OH-O 3.45Å; Y1719-F1825 HydrophobicContact CD1-CE2 4.16Å; Y1719-F1825 HydrophobicContact CD2-CE2 4.37Å; Y1719-F1825 HydrophobicContact CE1-CD2 4.09Å; Y1719-F1825 AromaticContact CE1-CE2 3.86Å; Y1719-F1825 HydrophobicContact CE1-CE2 3.86Å; Y1719-F1825 HydrophobicContact CE2-CE2 4.11Å; Y1719-F1825 HydrophobicContact CG-CE2 4.42Å; Y1719-F1825 AromaticContact CZ-CE2 3.85Å
1720F95.5Very high86.1Confident0 Ų028.9 Ų28.90%014%0.138CC..EExtended strand (participates in β ladder)trans-127.6138176.5-60.5-96.9000110.3T1578 M1591 V1599 A1629 C1631 I1718 I1727 Y1728 I1730T1578-F1720 HydrophobicContact CG2-CD1 4.07Å; T1578-F1720 HydrophobicContact CG2-CE1 4.21Å; M1591-F1720 HydrophobicContact CE-CD1 4.47Å; M1591-F1720 HydrophobicContact CE-CE1 3.36Å; M1591-F1720 HydrophobicContact CE-CE2 4.16Å; M1591-F1720 HydrophobicContact CE-CZ 3.19Å; M1591-F1720 HydrophobicContact SD-CE1 4.25Å; M1591-F1720 HydrophobicContact SD-CE2 4.17Å; M1591-F1720 HydrophobicContact SD-CZ 3.46Å; M1591-F1720 WeakPolarHBondContact SD-CZ 3.2Å; V1599-F1720 HydrophobicContact CG1-CZ 4.26Å; V1599-F1720 HydrophobicContact CG2-CE1 4.19Å; V1599-F1720 HydrophobicContact CG2-CZ 3.76Å; A1629-F1720 HydrophobicContact CB-CB 3.82Å; A1629-F1720 HydrophobicContact CB-CD1 3.45Å; A1629-F1720 VanDerWaalsContact CB-CD1 3.45Å; A1629-F1720 HydrophobicContact CB-CE1 4.15Å; A1629-F1720 HydrophobicContact CB-CG 3.94Å; C1631-F1720 VanDerWaalsContact O-CA 3.3Å; C1631-F1720 WeakPolarHBondContact O-CA 3.48Å; I1718-F1720 HydrophobicContact CG2-CE2 4.49Å; F1720-I1727 VanDerWaalsContact O-CA 3.32Å; F1720-I1727 WeakPolarHBondContact O-CA 3.33Å; F1720-Y1728 HydrophobicContact CB-CD2 4.4Å; F1720-Y1728 PolarHBondContact N-O 2.81Å; F1720-Y1728 PolarHBondContact O-N 3.34Å; F1720-I1730 HydrophobicContact CE2-CB 4.15Å; F1720-I1730 HydrophobicContact CE2-CD1 3.78Å; F1720-I1730 HydrophobicContact CE2-CG1 3.88Å; F1720-I1730 HydrophobicContact CZ-CD1 4.25Å
1721G94.5Very high87.7Confident0 Ų024.9 Ų24.90%012%0.117CC..EExtended strand (participates in β ladder)trans-90.1140160.700000110.1A1629 T1630 C1631A1629-G1721 CarbonylContact C-O 3.56Å; A1629-G1721 WeakPolarHBondContact CA-O 3.32Å; T1630-G1721 PolarHBondContact N-O 2.79Å; T1630-G1721 PolarHBondContact OG1-O 2.81Å; C1631-G1721 PolarHBondContact O-N 2.89Å; C1631-G1721 VanDerWaalsContact O-N 3.1Å
1722S92.7Very high89.3Confident0 Ų022.3 Ų22.30%010%0.1CC..EExtended strand (participates in β ladder)trans-106.3163.4176.384.60000113.4R1628 N1724 G1725 S1726R1628-S1722 WeakPolarHBondContact O-CA 2.99Å; R1628-S1722 WeakPolarHBondContact O-CB 3.38Å; S1722-N1724 PolarHBondContact O-N 2.98Å; S1722-N1724 PolarHBondContact OG-N 3.42Å; S1722-N1724 PolarHBondContact OG-OD1 2.92Å; S1722-G1725 PolarHBondContact O-N 3.1Å; S1722-G1725 PolarHBondContact OG-N 2.88Å; S1722-S1726 PolarHBondContact N-O 2.83Å; S1722-S1726 WeakPolarHBondContact OG-CB 3.3Å; S1722-S1726 PolarHBondContact OG-N 2.97Å; S1722-S1726 PolarHBondContact OG-O 2.89Å
1723Q89.6Confident90.7Very high78 Ų7820.9 Ų20.936%0.3649%0.093SC..THydrogen-bonded Turntrans-61-26.3173.5-168.9178.320.600113.4P538 R1628 T1630P538-Q1723 WeakPolarHBondContact CA-O 3.33Å; P538-Q1723 HydrophobicContact CB-CG 4.31Å; R1628-Q1723 PolarHBondContact O-N 2.75Å; R1628-Q1723 VanDerWaalsContact O-N 3.15Å; T1630-Q1723 HydrophobicContact CG2-CB 4.22Å
1724N90.7Very high91.8Very high14 Ų1417.7 Ų17.78%0.0758%0.077CC..THydrogen-bonded Turntrans-10518.3-178.861.6-19.1000114.1P23 T24 A25 S1627 S1722 S1726P23-N1724 WeakPolarHBondContact CA-O 3.34Å; P23-N1724 HydrophobicContact CB-CB 4.4Å; P23-N1724 WeakPolarHBondContact CB-ND2 3.44Å; T24-N1724 PolarHBondContact N-O 3.15Å; A25-N1724 HydrophobicContact CB-CB 3.95Å; A25-N1724 PolarHBondContact N-O 3.34Å; S1627-N1724 WeakPolarHBondContact CB-OD1 3.32Å; S1627-N1724 VanDerWaalsContact OG-CG 3.32Å; S1627-N1724 PolarHBondContact OG-OD1 3.08Å; S1722-N1724 PolarHBondContact O-N 2.98Å; S1722-N1724 PolarHBondContact OG-N 3.42Å; S1722-N1724 PolarHBondContact OG-OD1 2.92Å; N1724-S1726 VanDerWaalsContact C-N 3.33Å; N1724-S1726 PolarHBondContact O-N 3.01Å
1725G90.5Very high92.5Very high0 Ų015.2 Ų15.20%07%0.068CC..SBendtrans832.1172.500000115.5M539 S1722M539-G1725 VanDerWaalsContact CE-C 3.48Å; M539-G1725 WeakPolarHBondContact CE-O 3.47Å; S1722-G1725 PolarHBondContact O-N 3.1Å; S1722-G1725 PolarHBondContact OG-N 2.88Å
1726S93.1Very high92.5Very high0 Ų022 Ų220%010%0.099CC..  trans-69.2142.5170.9-47.50000110.9S21 P22 P23 M539 S1722 N1724 Y1728S21-S1726 WeakPolarHBondContact O-CA 3.38Å; P22-S1726 WeakPolarHBondContact O-CA 3.5Å; P23-S1726 WeakPolarHBondContact CA-OG 3.26Å; P23-S1726 VanDerWaalsContact CB-OG 3.3Å; P23-S1726 WeakPolarHBondContact CB-OG 3.21Å; P23-S1726 WeakPolarHBondContact CD-OG 3.48Å; M539-S1726 VanDerWaalsContact CE-O 3.23Å; M539-S1726 WeakPolarHBondContact CE-O 3.29Å; S1722-S1726 PolarHBondContact N-O 2.83Å; S1722-S1726 WeakPolarHBondContact OG-CB 3.3Å; S1722-S1726 PolarHBondContact OG-N 2.97Å; S1722-S1726 PolarHBondContact OG-O 2.89Å; N1724-S1726 VanDerWaalsContact C-N 3.33Å; N1724-S1726 PolarHBondContact O-N 3.01Å; S1726-Y1728 VanDerWaalsContact CB-CE1 3.41Å; S1726-Y1728 WeakPolarHBondContact CB-OH 3.46Å; S1726-Y1728 PolarHBondContact OG-OH 2.84Å
1727I95Very high92.5Very high0 Ų020.1 Ų20.10%09%0.09CC..EExtended strand (participates in β ladder)trans-110.2120165.8-60.6179.4000107.9I20 S21 M539 L574 L599 L1321 Y1719 F1720I20-I1727 HydrophobicContact CB-CB 4.23Å; I20-I1727 HydrophobicContact CB-CG2 3.96Å; I20-I1727 HydrophobicContact CG2-CG2 4.23Å; I20-I1727 PolarHBondContact N-O 2.93Å; S21-I1727 PolarHBondContact N-O 2.7Å; S21-I1727 VanDerWaalsContact N-O 3.13Å; S21-I1727 PolarHBondContact O-N 2.91Å; S21-I1727 VanDerWaalsContact O-N 3.07Å; M539-I1727 HydrophobicContact CE-CD1 4.44Å; M539-I1727 HydrophobicContact CE-CG1 3.68Å; M539-I1727 HydrophobicContact SD-CD1 4.35Å; M539-I1727 HydrophobicContact SD-CG1 4.08Å; L574-I1727 HydrophobicContact CD2-CD1 4.09Å; L599-I1727 HydrophobicContact CD1-CD1 3.49Å; L599-I1727 VanDerWaalsContact CD1-CD1 3.49Å; L1321-I1727 HydrophobicContact CD1-CD1 3.99Å; Y1719-I1727 HydrophobicContact CD1-CG2 4.13Å; F1720-I1727 VanDerWaalsContact O-CA 3.32Å; F1720-I1727 WeakPolarHBondContact O-CA 3.33Å
1728Y93Very high92.5Very high1 Ų120.6 Ų20.60%0.0049%0.092CC..EExtended strand (participates in β ladder)trans-104.7152.4177-51.4-52.6000110.4F17 H19 L1625 P1626 S1627 Y1719 F1720 S1726F17-Y1728 AromaticContact CE2-CD1 3.74Å; F17-Y1728 HydrophobicContact CE2-CD1 3.74Å; F17-Y1728 HydrophobicContact CE2-CE1 4.5Å; F17-Y1728 AromaticContact CE2-CG 3.88Å; F17-Y1728 HydrophobicContact CE2-CG 3.88Å; F17-Y1728 AromaticContact CZ-CD1 3.89Å; F17-Y1728 HydrophobicContact CZ-CD1 3.89Å; F17-Y1728 HydrophobicContact CZ-CE1 4.36Å; F17-Y1728 HydrophobicContact CZ-CG 4.49Å; H19-Y1728 AromaticContact CD2-CD1 3.89Å; H19-Y1728 AromaticContact CD2-CE1 3.56Å; H19-Y1728 AromaticContact NE2-CE1 3.58Å; L1625-Y1728 HydrophobicContact CB-CE2 4.38Å; L1625-Y1728 HydrophobicContact CD1-CD2 4.04Å; L1625-Y1728 HydrophobicContact CD1-CE2 4.4Å; L1625-Y1728 HydrophobicContact CD2-CD2 3.97Å; L1625-Y1728 HydrophobicContact CD2-CG 4.2Å; L1625-Y1728 HydrophobicContact CG-CD2 4.44Å; P1626-Y1728 HydrophobicContact CG-CE1 4.31Å; S1627-Y1728 WeakPolarHBondContact CB-OH 3.37Å; S1627-Y1728 PolarHBondContact N-OH 2.86Å; Y1719-Y1728 CarbonylContact C-O 3.5Å; Y1719-Y1728 VanDerWaalsContact CA-O 3.24Å; Y1719-Y1728 WeakPolarHBondContact CA-O 3.4Å; F1720-Y1728 HydrophobicContact CB-CD2 4.4Å; F1720-Y1728 PolarHBondContact N-O 2.81Å; F1720-Y1728 PolarHBondContact O-N 3.34Å; S1726-Y1728 VanDerWaalsContact CB-CE1 3.41Å; S1726-Y1728 WeakPolarHBondContact CB-OH 3.46Å; S1726-Y1728 PolarHBondContact OG-OH 2.84Å
1729R93.9Very high92.4Very high7 Ų723.8 Ų23.83%0.02611%0.114CC..EExtended strand (participates in β ladder)trans-126.8127.4169.1-177.6-157.470-158.911109.9F17 K18 I20 I1718 Y1719 T1822F17-R1729 CarbonylContact C-O 3.15Å; F17-R1729 WeakPolarHBondContact CA-O 3.31Å; K18-R1729 PolarHBondContact N-O 3.03Å; K18-R1729 PolarHBondContact O-N 3.19Å; I20-R1729 HydrophobicContact CD1-CB 3.99Å; I20-R1729 HydrophobicContact CG1-CB 3.71Å; I1718-R1729 WeakPolarHBondContact O-CA 3.31Å; Y1719-R1729 HydrophobicContact CD2-CG 4.24Å; Y1719-R1729 HydrophobicContact CE1-CB 4.47Å; Y1719-R1729 HydrophobicContact CE2-CG 3.95Å; R1729-T1822 PolarHBondContact NH1-OG1 3.21Å
1730I95Very high92.3Very high0 Ų027.7 Ų27.70%013%0.129CC..EExtended strand (participates in β ladder)trans-112.8119.5165.5-62.6-179.4000108.7A15 V16 F17 F1582 V1599 M1623 L1625 I1718 F1720A15-I1730 HydrophobicContact CB-CG2 3.89Å; V16-I1730 WeakPolarHBondContact O-CA 3.49Å; F17-I1730 HydrophobicContact CB-CG1 4.33Å; F17-I1730 HydrophobicContact CD2-CG1 4.11Å; F1582-I1730 HydrophobicContact CE2-CG2 4.16Å; V1599-I1730 HydrophobicContact CB-CD1 4.15Å; V1599-I1730 HydrophobicContact CG1-CD1 3.92Å; V1599-I1730 HydrophobicContact CG2-CD1 4.25Å; M1623-I1730 HydrophobicContact SD-CD1 3.67Å; M1623-I1730 HydrophobicContact SD-CG1 4.44Å; L1625-I1730 HydrophobicContact CD2-CD1 4.13Å; I1718-I1730 PolarHBondContact N-O 3.23Å; I1718-I1730 PolarHBondContact O-N 3.16Å; F1720-I1730 HydrophobicContact CE2-CB 4.15Å; F1720-I1730 HydrophobicContact CE2-CD1 3.78Å; F1720-I1730 HydrophobicContact CE2-CG1 3.88Å; F1720-I1730 HydrophobicContact CZ-CD1 4.25Å
1731G92.4Very high92.2Very high1 Ų127.7 Ų27.71%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-120.9141.7-176.800000113.1A15 V16 S1717A15-G1731 CarbonylContact C-O 3.56Å; A15-G1731 WeakPolarHBondContact CA-O 3.41Å; A15-G1731 WeakPolarHBondContact CB-O 3.18Å; V16-G1731 PolarHBondContact N-O 3.41Å; V16-G1731 PolarHBondContact O-N 3.3Å; S1717-G1731 WeakPolarHBondContact OG-CA 3.29Å
1732P93.3Very high92Very high5 Ų532.5 Ų32.53%0.03215%0.147CC..EExtended strand (participates in β ladder)trans-68.6137174.624.1-30.2000112.7F1582 D1584 R1715 Q1716F1582-P1732 HydrophobicContact CE1-CB 3.83Å; F1582-P1732 HydrophobicContact CE2-CB 4.4Å; F1582-P1732 HydrophobicContact CZ-CB 3.61Å; F1582-P1732 HydrophobicContact CZ-CG 4.3Å; D1584-P1732 HydrophobicContact CB-CB 3.71Å; D1584-P1732 HydrophobicContact CB-CG 4.47Å; R1715-P1732 HydrophobicContact CB-CG 4.04Å; R1715-P1732 WeakPolarHBondContact CD-O 3.19Å; R1715-P1732 HydrophobicContact CG-CG 4.01Å; Q1716-P1732 WeakPolarHBondContact O-CD 3.41Å
1733I91.5Very high92Very high3 Ų336.4 Ų36.42%0.01517%0.167CC..  trans-131.5155.6178.964174.6000111.5S14 A15 V16 D1735 M1737 Y1738 L1818S14-I1733 PolarHBondContact O-N 3.34Å; A15-I1733 WeakPolarHBondContact O-CD1 3.26Å; V16-I1733 HydrophobicContact CB-CD1 4.31Å; V16-I1733 HydrophobicContact CB-CG2 3.96Å; V16-I1733 HydrophobicContact CG1-CG2 3.66Å; I1733-D1735 PolarHBondContact O-N 2.95Å; I1733-M1737 HydrophobicContact CB-SD 4.47Å; I1733-Y1738 HydrophobicContact CD1-CD2 3.88Å; I1733-Y1738 HydrophobicContact CD1-CG 4.2Å; I1733-L1818 HydrophobicContact CG2-CD2 3.57Å
1734R88.2Confident92.2Very high85 Ų8532.7 Ų32.732%0.32115%0.15SC..  trans-63.4133.1178.9-62.5165.7168.6-175-4.6110.4E1712 K1736 M1737 Y1738 E1817E1712-R1734 IonicContact OE1-CZ 2.91Å; E1712-R1734 VanDerWaalsContact OE1-CZ 3.23Å; E1712-R1734 IonicContact OE1-NE 2.82Å; E1712-R1734 PolarHBondContact OE1-NE 3.32Å; E1712-R1734 IonicContact OE1-NH2 3.73Å; E1712-R1734 PolarHBondContact OE1-NH2 3.45Å; E1712-R1734 IonicContact OE2-CZ 3.19Å; E1712-R1734 IonicContact OE2-NE 3.88Å; E1712-R1734 IonicContact OE2-NH2 3.23Å; E1712-R1734 PolarHBondContact OE2-NH2 3.22Å; R1734-K1736 PolarHBondContact O-N 3.04Å; R1734-M1737 HydrophobicContact CB-CB 4.02Å; R1734-M1737 WeakPolarHBondContact O-CA 3.23Å; R1734-M1737 WeakPolarHBondContact O-CB 3.42Å; R1734-M1737 PolarHBondContact O-N 3.27Å; R1734-Y1738 PolarHBondContact O-N 3.31Å; R1734-E1817 IonicContact CZ-OE1 3.62Å; R1734-E1817 IonicContact NH1-OE1 3.34Å
1735D87.7Confident92.3Very high46 Ų4632.6 Ų32.625%0.24615%0.149CC..Hα-helixtrans-56.9-30.1-178.9-58.5-85.7000113.2T12 S14 R1587 I1733 S1739T12-D1735 PolarHBondContact OG1-OD1 3.17Å; S14-D1735 PolarHBondContact OG-OD1 2.74Å; R1587-D1735 IonicContact CZ-OD2 3.45Å; R1587-D1735 IonicContact NH1-OD2 2.76Å; R1587-D1735 PolarHBondContact NH1-OD2 3.42Å; R1587-D1735 VanDerWaalsContact NH1-OD2 3.12Å; R1587-D1735 IonicContact NH2-OD2 2.69Å; R1587-D1735 PolarHBondContact NH2-OD2 3.41Å; I1733-D1735 PolarHBondContact O-N 2.95Å; D1735-S1739 WeakPolarHBondContact O-CB 3.4Å; D1735-S1739 PolarHBondContact O-N 3.29Å; D1735-S1739 VanDerWaalsContact O-N 3.08Å; D1735-S1739 PolarHBondContact O-OG 3.27Å
1736K90.2Very high92.3Very high177 Ų17739.3 Ų39.377%0.7718%0.178SC*.Hα-helixtrans-68.3-42.3172.4-71.4-173.3176.4-176.40113.5R1734 S1739 R1740R1734-K1736 PolarHBondContact O-N 3.04Å; K1736-S1739 PolarHBondContact O-N 2.76Å; K1736-R1740 PolarHBondContact O-N 3.28Å
1737M92Very high92.2Very high4 Ų440.7 Ų40.72%0.0219%0.186CC..Hα-helixtrans-69.3-43.3178.1175.9-173.2-106.400110.2I1733 R1734 S1739 R1740 L1741 D1814 E1817 L1818I1733-M1737 HydrophobicContact CB-SD 4.47Å; R1734-M1737 HydrophobicContact CB-CB 4.02Å; R1734-M1737 WeakPolarHBondContact O-CA 3.23Å; R1734-M1737 WeakPolarHBondContact O-CB 3.42Å; R1734-M1737 PolarHBondContact O-N 3.27Å; M1737-S1739 VanDerWaalsContact C-N 3.3Å; M1737-S1739 PolarHBondContact O-N 2.95Å; M1737-R1740 PolarHBondContact O-N 3.41Å; M1737-L1741 HydrophobicContact CG-CD1 3.81Å; M1737-L1741 HydrophobicContact CG-CG 4.39Å; M1737-L1741 WeakPolarHBondContact O-CB 3.3Å; M1737-L1741 WeakPolarHBondContact O-CG 3.46Å; M1737-L1741 PolarHBondContact O-N 3.48Å; M1737-D1814 HydrophobicContact CE-CB 4.05Å; M1737-D1814 VanDerWaalsContact CE-OD1 3.22Å; M1737-D1814 WeakPolarHBondContact CE-OD1 3.41Å; M1737-D1814 HydrophobicContact CG-CB 4.39Å; M1737-E1817 HydrophobicContact CE-CB 4.11Å; M1737-E1817 HydrophobicContact CE-CG 4.11Å; M1737-L1818 HydrophobicContact CE-CG 4.35Å; M1737-L1818 HydrophobicContact SD-CD1 4.39Å; M1737-L1818 HydrophobicContact SD-CD2 3.94Å; M1737-L1818 HydrophobicContact SD-CG 4.1Å
1738Y93.4Very high92Very high10 Ų1040.7 Ų40.74%0.03919%0.186CC..Hα-helixtrans-54.9-46.6170.6177.5-117.8000112I1733 R1734 R1740 L1741 R1742 K1779 V1780 A1781I1733-Y1738 HydrophobicContact CD1-CD2 3.88Å; I1733-Y1738 HydrophobicContact CD1-CG 4.2Å; R1734-Y1738 PolarHBondContact O-N 3.31Å; Y1738-R1740 VanDerWaalsContact C-N 3.29Å; Y1738-R1740 PolarHBondContact O-N 3.3Å; Y1738-L1741 PolarHBondContact O-N 3.11Å; Y1738-R1742 HydrophobicContact CE2-CB 4.15Å; Y1738-R1742 HydrophobicContact CE2-CG 4.28Å; Y1738-R1742 WeakPolarHBondContact O-CB 3.38Å; Y1738-R1742 PolarHBondContact O-N 3.05Å; Y1738-R1742 WeakPolarHBondContact OH-CD 3.38Å; Y1738-R1742 VanDerWaalsContact OH-CZ 3.28Å; Y1738-R1742 PolarHBondContact OH-NE 2.91Å; Y1738-K1779 HydrophobicContact CE1-CB 4.21Å; Y1738-K1779 HydrophobicContact CE1-CG 4.3Å; Y1738-K1779 VanDerWaalsContact OH-CA 3.29Å; Y1738-K1779 WeakPolarHBondContact OH-CA 3.44Å; Y1738-K1779 PolarHBondContact OH-N 3.37Å; Y1738-V1780 PolarHBondContact OH-O 3.45Å; Y1738-A1781 HydrophobicContact CD2-CB 3.87Å; Y1738-A1781 HydrophobicContact CE2-CB 3.72Å
1739S92.8Very high91.8Very high68 Ų6842 Ų4248%0.47619%0.192SC..Hα-helixtrans-60.3-37.4-179.1-60.10000112.7D1735 K1736 M1737 I1743D1735-S1739 WeakPolarHBondContact O-CB 3.4Å; D1735-S1739 PolarHBondContact O-N 3.29Å; D1735-S1739 VanDerWaalsContact O-N 3.08Å; D1735-S1739 PolarHBondContact O-OG 3.27Å; K1736-S1739 PolarHBondContact O-N 2.76Å; M1737-S1739 VanDerWaalsContact C-N 3.3Å; M1737-S1739 PolarHBondContact O-N 2.95Å; S1739-I1743 WeakPolarHBondContact O-CD1 3.25Å; S1739-I1743 WeakPolarHBondContact O-CG1 3.31Å
1740R93.6Very high91.5Very high83 Ų8347 Ų4731%0.31322%0.216SC..Hα-helixtrans-68-58172.6-82.8-165.8-57.4-1164.2112.2K1736 M1737 Y1738 R1742 I1743 T1744 Q1806 D1814K1736-R1740 PolarHBondContact O-N 3.28Å; M1737-R1740 PolarHBondContact O-N 3.41Å; Y1738-R1740 VanDerWaalsContact C-N 3.29Å; Y1738-R1740 PolarHBondContact O-N 3.3Å; R1740-R1742 VanDerWaalsContact C-N 3.26Å; R1740-R1742 PolarHBondContact O-N 3.41Å; R1740-I1743 WeakPolarHBondContact O-CB 3.47Å; R1740-I1743 PolarHBondContact O-N 3.11Å; R1740-T1744 PolarHBondContact O-N 3.19Å; R1740-T1744 PolarHBondContact O-OG1 3.02Å; R1740-Q1806 VanDerWaalsContact CB-OE1 3.27Å; R1740-Q1806 HydrophobicContact CG-CG 4.46Å; R1740-Q1806 PolarHBondContact O-NE2 3.46Å; R1740-D1814 IonicContact CZ-OD1 3.14Å; R1740-D1814 IonicContact CZ-OD2 3.13Å; R1740-D1814 IonicContact NE-OD2 3.02Å; R1740-D1814 PolarHBondContact NE-OD2 2.81Å; R1740-D1814 IonicContact NH2-OD1 2.7Å; R1740-D1814 PolarHBondContact NH2-OD1 2.57Å; R1740-D1814 IonicContact NH2-OD2 3.93Å; R1740-D1814 PolarHBondContact NH2-OD2 2.94Å
1741L93Very high91Very high0 Ų049.7 Ų49.70%023%0.228CC..Hα-helixtrans-60.2-34.4-175.2-70.8176.1000112.6M1737 Y1738 I1743 T1744 E1745 I1786 D1814 L1818M1737-L1741 HydrophobicContact CG-CD1 3.81Å; M1737-L1741 HydrophobicContact CG-CG 4.39Å; M1737-L1741 WeakPolarHBondContact O-CB 3.3Å; M1737-L1741 WeakPolarHBondContact O-CG 3.46Å; M1737-L1741 PolarHBondContact O-N 3.48Å; Y1738-L1741 PolarHBondContact O-N 3.11Å; L1741-I1743 VanDerWaalsContact C-N 3.3Å; L1741-I1743 PolarHBondContact O-N 3.04Å; L1741-T1744 WeakPolarHBondContact O-CB 3.24Å; L1741-T1744 PolarHBondContact O-N 3.14Å; L1741-E1745 VanDerWaalsContact O-CB 3.31Å; L1741-E1745 WeakPolarHBondContact O-CB 3.12Å; L1741-E1745 PolarHBondContact O-N 2.88Å; L1741-I1786 HydrophobicContact CB-CD1 3.93Å; L1741-I1786 HydrophobicContact CD1-CD1 4.48Å; L1741-I1786 HydrophobicContact CD2-CD1 4.47Å; L1741-I1786 HydrophobicContact CD2-CG2 4.21Å; L1741-D1814 HydrophobicContact CD2-CB 4.1Å; L1741-D1814 HydrophobicContact CG-CB 4.47Å; L1741-L1818 HydrophobicContact CD1-CD1 3.59Å
1742R91.4Very high90.5Very high100 Ų10052.8 Ų52.838%0.37724%0.244SC..Hα-helixtrans-65.9-28.2175.7-165.5-167.8-161.6179.110.9113.6Y1738 R1740 K1746Y1738-R1742 HydrophobicContact CE2-CB 4.15Å; Y1738-R1742 HydrophobicContact CE2-CG 4.28Å; Y1738-R1742 WeakPolarHBondContact O-CB 3.38Å; Y1738-R1742 PolarHBondContact O-N 3.05Å; Y1738-R1742 WeakPolarHBondContact OH-CD 3.38Å; Y1738-R1742 VanDerWaalsContact OH-CZ 3.28Å; Y1738-R1742 PolarHBondContact OH-NE 2.91Å; R1740-R1742 VanDerWaalsContact C-N 3.26Å; R1740-R1742 PolarHBondContact O-N 3.41Å; R1742-K1746 PolarHBondContact O-N 3.45Å
1743I92.9Very high89.7Confident82 Ų8254.1 Ų54.142%0.42126%0.259SS..Hα-helixtrans-73.9-45.4173.9-63.7166.6000108.9S1739 R1740 L1741 K1746 N1747S1739-I1743 WeakPolarHBondContact O-CD1 3.25Å; S1739-I1743 WeakPolarHBondContact O-CG1 3.31Å; R1740-I1743 WeakPolarHBondContact O-CB 3.47Å; R1740-I1743 PolarHBondContact O-N 3.11Å; L1741-I1743 VanDerWaalsContact C-N 3.3Å; L1741-I1743 PolarHBondContact O-N 3.04Å; I1743-K1746 PolarHBondContact O-N 3.49Å; I1743-N1747 PolarHBondContact O-N 3.49Å; I1743-N1747 VanDerWaalsContact O-N 3.11Å
1744T93.6Very high88.9Confident1 Ų156.6 Ų56.61%0.00628%0.275CS..Hα-helixtrans-59.7-46175-44.60000111.6R1740 L1741 K1746 N1747 L1748 Y1789 I1800 I1811R1740-T1744 PolarHBondContact O-N 3.19Å; R1740-T1744 PolarHBondContact O-OG1 3.02Å; L1741-T1744 WeakPolarHBondContact O-CB 3.24Å; L1741-T1744 PolarHBondContact O-N 3.14Å; T1744-K1746 PolarHBondContact O-N 2.86Å; T1744-N1747 PolarHBondContact O-N 3.34Å; T1744-N1747 VanDerWaalsContact O-N 3.16Å; T1744-L1748 HydrophobicContact CG2-CD1 4.07Å; T1744-L1748 WeakPolarHBondContact O-CB 3.33Å; T1744-L1748 WeakPolarHBondContact O-CG 3.18Å; T1744-L1748 PolarHBondContact O-N 2.84Å; T1744-Y1789 HydrophobicContact CG2-CD2 4.4Å; T1744-I1800 HydrophobicContact CG2-CG2 4.16Å; T1744-I1811 HydrophobicContact CG2-CD1 4.06Å; T1744-I1811 HydrophobicContact CG2-CG2 4.11Å
1745E91.8Very high88.5Confident11 Ų1154 Ų545%0.05127%0.267CS..Hα-helixtrans-51.9-52.2172.6-178.4-150.9134.300111.3L1741 N1747 L1748 I1749 L1785L1741-E1745 VanDerWaalsContact O-CB 3.31Å; L1741-E1745 WeakPolarHBondContact O-CB 3.12Å; L1741-E1745 PolarHBondContact O-N 2.88Å; E1745-N1747 VanDerWaalsContact C-N 3.28Å; E1745-N1747 PolarHBondContact O-N 2.87Å; E1745-L1748 WeakPolarHBondContact O-CB 3.47Å; E1745-L1748 PolarHBondContact O-N 3.29Å; E1745-I1749 WeakPolarHBondContact O-CG1 3.48Å; E1745-I1749 PolarHBondContact O-N 2.93Å; E1745-L1785 HydrophobicContact CG-CD2 4.16Å
1746K90.6Very high88.3Confident142 Ų14251.8 Ų51.862%0.61726%0.255SS*.Hα-helixtrans-58-40.9178.8-173.3-157.8169.5-157.90111.9R1742 I1743 T1744 H1750R1742-K1746 PolarHBondContact O-N 3.45Å; I1743-K1746 PolarHBondContact O-N 3.49Å; T1744-K1746 PolarHBondContact O-N 2.86Å; K1746-H1750 PolarHBondContact O-N 3.04Å
1747N92.1Very high87.7Confident29 Ų2944.7 Ų44.716%0.15523%0.232CC..Hα-helixtrans-75.2-32.4-179.4-69.1-18.9000112.1I1743 T1744 E1745 H1750 H1751 I1800 K1803 S1804I1743-N1747 PolarHBondContact O-N 3.49Å; I1743-N1747 VanDerWaalsContact O-N 3.11Å; T1744-N1747 PolarHBondContact O-N 3.34Å; T1744-N1747 VanDerWaalsContact O-N 3.16Å; E1745-N1747 VanDerWaalsContact C-N 3.28Å; E1745-N1747 PolarHBondContact O-N 2.87Å; N1747-H1750 PolarHBondContact O-N 3.25Å; N1747-H1751 PolarHBondContact O-N 3.35Å; N1747-I1800 HydrophobicContact CB-CG2 4.24Å; N1747-K1803 PolarHBondContact ND2-O 3.41Å; N1747-S1804 WeakPolarHBondContact ND2-CA 3.48Å; N1747-S1804 PolarHBondContact ND2-N 2.93Å; N1747-S1804 PolarHBondContact ND2-OG 3.31Å
1748L90.7Very high87.2Confident0 Ų044.7 Ų44.70%023%0.232CC..Hα-helixtrans-63.1-43.1170.7-80.2158.8000112.5T1744 E1745 H1750 H1751 L1752 L1785 Y1789 L1792 I1800T1744-L1748 HydrophobicContact CG2-CD1 4.07Å; T1744-L1748 WeakPolarHBondContact O-CB 3.33Å; T1744-L1748 WeakPolarHBondContact O-CG 3.18Å; T1744-L1748 PolarHBondContact O-N 2.84Å; E1745-L1748 WeakPolarHBondContact O-CB 3.47Å; E1745-L1748 PolarHBondContact O-N 3.29Å; L1748-H1750 PolarHBondContact O-N 2.55Å; L1748-H1751 PolarHBondContact O-N 3.17Å; L1748-L1752 HydrophobicContact CD2-CD1 4.26Å; L1748-L1752 WeakPolarHBondContact O-CB 3.46Å; L1748-L1752 PolarHBondContact O-N 3.31Å; L1748-L1785 HydrophobicContact CB-CD1 4.31Å; L1748-L1785 HydrophobicContact CB-CD2 4.41Å; L1748-L1785 HydrophobicContact CB-CG 4.18Å; L1748-Y1789 HydrophobicContact CD2-CD2 4.23Å; L1748-L1792 HydrophobicContact CD2-CD1 3.89Å; L1748-I1800 HydrophobicContact CD2-CD1 4.09Å
1749I88.2Confident86.6Confident27 Ų2746.9 Ų46.914%0.13825%0.248CC..Hα-helixtrans-58-39.8174.9-63.2178.9000110.8E1745 G1753 P1759 P1760 K1761 L1785E1745-I1749 WeakPolarHBondContact O-CG1 3.48Å; E1745-I1749 PolarHBondContact O-N 2.93Å; I1749-G1753 PolarHBondContact O-N 2.93Å; I1749-P1759 HydrophobicContact CG2-CB 4.36Å; I1749-P1760 HydrophobicContact CD1-CG 4.1Å; I1749-P1760 HydrophobicContact CG1-CG 4.05Å; I1749-K1761 HydrophobicContact CD1-CB 4.02Å; I1749-L1785 HydrophobicContact CD1-CD2 4.17Å; I1749-L1785 HydrophobicContact CG1-CD2 3.45Å; I1749-L1785 VanDerWaalsContact CG1-CD2 3.45Å
1750H86.4Confident86Confident112 Ų11243.8 Ų43.852%0.51923%0.226SC..Hα-helixtrans-70.2-43.4179.8-173-108.9000112.5H981 K1746 N1747 L1748H981-H1750 AromaticContact CD2-CE1 3.85Å; H981-H1750 AromaticContact CD2-NE2 3.31Å; H981-H1750 PolarHBondContact CD2-NE2 3.02Å; H981-H1750 VanDerWaalsContact CD2-NE2 3.31Å; H981-H1750 AromaticContact NE2-CD2 3.84Å; H981-H1750 AromaticContact NE2-CE1 3.9Å; H981-H1750 AromaticContact NE2-NE2 2.92Å; H981-H1750 PolarHBondContact NE2-NE2 2.95Å; K1746-H1750 PolarHBondContact O-N 3.04Å; N1747-H1750 PolarHBondContact O-N 3.25Å; L1748-H1750 PolarHBondContact O-N 2.55Å
1751H86Confident85.2Confident58 Ų5845.2 Ų45.227%0.26924%0.235SC..Hα-helixtrans-73.5-43.8-178.2-175.7-64.7000113.5N1747 L1748 G1753 Q1796 E1799 I1800N1747-H1751 PolarHBondContact O-N 3.35Å; L1748-H1751 PolarHBondContact O-N 3.17Å; H1751-G1753 VanDerWaalsContact C-N 3.35Å; H1751-Q1796 PolarHBondContact CE1-OE1 3.42Å; H1751-E1799 IonicContact CD2-OE2 2.69Å; H1751-I1800 HydrophobicContact CB-CD1 4Å; H1751-I1800 HydrophobicContact CB-CG1 4.39Å
1752L81.6Confident84.5Confident66 Ų6648 Ų4835%0.34626%0.255SS..Hα-helixtrans-76-23.7-176.6-75.9167.3000113.3L1748 L1785 R1788 L1792L1748-L1752 HydrophobicContact CD2-CD1 4.26Å; L1748-L1752 WeakPolarHBondContact O-CB 3.46Å; L1748-L1752 PolarHBondContact O-N 3.31Å; L1752-L1785 HydrophobicContact CD1-CD1 3.66Å; L1752-R1788 HydrophobicContact CD1-CB 4.22Å; L1752-L1792 HydrophobicContact CD2-CD2 4.08Å
1753G76.3Confident83.8Confident33 Ų3343.8 Ų43.834%0.3424%0.24SC..  trans75.1149.3-171.600000113.1I1749 H1751 I1755I1749-G1753 PolarHBondContact O-N 2.93Å; H1751-G1753 VanDerWaalsContact C-N 3.35Å; G1753-I1755 PolarHBondContact O-N 2.85Å
1754P74.1Confident83.3Confident55 Ų5541.1 Ų41.136%0.35723%0.225SC..  trans-80.4117.6178.431.2-33.5000111.8G1757 M1758 P1759P1754-G1757 WeakPolarHBondContact O-CA 3.35Å; P1754-G1757 PolarHBondContact O-N 3.44Å; P1754-M1758 VanDerWaalsContact CB-C 3.47Å; P1754-M1758 WeakPolarHBondContact CB-O 3.29Å; P1754-P1759 HydrophobicContact CB-CB 4.48Å
1755I81Confident82.9Confident29 Ų2943.9 Ų43.915%0.14924%0.244CC..G310 helixtrans-59.8136.6171.8-61.9167.2000109.1S72 V73 M105 G1753 G1757 M1758S72-I1755 WeakPolarHBondContact O-CD1 3.34Å; V73-I1755 HydrophobicContact CG2-CG2 4.15Å; M105-I1755 HydrophobicContact CE-CG2 4.34Å; G1753-I1755 PolarHBondContact O-N 2.85Å; I1755-G1757 PolarHBondContact O-N 2.85Å; I1755-G1757 VanDerWaalsContact O-N 3.1Å; I1755-M1758 PolarHBondContact O-N 2.84Å; I1755-M1758 VanDerWaalsContact O-N 3.08Å
1756C82.7Confident82.6Confident0 Ų043.7 Ų43.70%024%0.243CC..G310 helixtrans5815-171.3-59.20000114.2V73 L95 F97 A103 M105 T116 M1758V73-C1756 HydrophobicContact CG1-CB 4.24Å; L95-C1756 VanDerWaalsContact CD1-SG 3.59Å; F97-C1756 HydrophobicContact CE2-CB 4.46Å; F97-C1756 HydrophobicContact CZ-CB 4.18Å; A103-C1756 HydrophobicContact CB-CB 3.71Å; M105-C1756 HydrophobicContact SD-CB 4.3Å; T116-C1756 VanDerWaalsContact OG1-CA 3.24Å; T116-C1756 WeakPolarHBondContact OG1-CA 3.27Å; T116-C1756 PolarHBondContact OG1-N 2.98Å; C1756-M1758 HydrophobicContact CB-CE 3.87Å; C1756-M1758 HydrophobicContact CB-CG 4.43Å; C1756-M1758 PolarHBondContact O-N 2.83Å
1757G77.7Confident82.2Confident28 Ų2839.5 Ų39.529%0.28923%0.227SC..G310 helixtrans73.63.8-172.500000114.6P1754 I1755 P1759P1754-G1757 WeakPolarHBondContact O-CA 3.35Å; P1754-G1757 PolarHBondContact O-N 3.44Å; I1755-G1757 PolarHBondContact O-N 2.85Å; I1755-G1757 VanDerWaalsContact O-N 3.1Å; G1757-P1759 WeakPolarHBondContact O-CD 3.3Å
1758M81.1Confident81.6Confident4 Ų441.9 Ų41.92%0.0223%0.234CC..  trans-96.4113.1-175.6-60.3-169.5-65.500111.6V73 E75 F97 K101 P1754 I1755 C1756V73-M1758 HydrophobicContact CG1-CE 3.37Å; E75-M1758 HydrophobicContact CB-CE 3.79Å; E75-M1758 HydrophobicContact CB-SD 3.89Å; F97-M1758 HydrophobicContact CD1-CE 3.74Å; F97-M1758 HydrophobicContact CD1-SD 4.23Å; F97-M1758 HydrophobicContact CD2-CE 4.28Å; F97-M1758 HydrophobicContact CD2-SD 4.19Å; F97-M1758 HydrophobicContact CE1-CE 3.39Å; F97-M1758 HydrophobicContact CE1-SD 4.39Å; F97-M1758 HydrophobicContact CE2-CE 3.95Å; F97-M1758 HydrophobicContact CE2-SD 4.33Å; F97-M1758 HydrophobicContact CG-CE 4.18Å; F97-M1758 HydrophobicContact CG-SD 4.13Å; F97-M1758 HydrophobicContact CZ-CE 3.5Å; F97-M1758 VanDerWaalsContact CZ-CE 3.5Å; F97-M1758 HydrophobicContact CZ-SD 4.43Å; K101-M1758 HydrophobicContact CD-CG 4.35Å; K101-M1758 HydrophobicContact CD-SD 3.79Å; P1754-M1758 VanDerWaalsContact CB-C 3.47Å; P1754-M1758 WeakPolarHBondContact CB-O 3.29Å; I1755-M1758 PolarHBondContact O-N 2.84Å; I1755-M1758 VanDerWaalsContact O-N 3.08Å; C1756-M1758 HydrophobicContact CB-CE 3.87Å; C1756-M1758 HydrophobicContact CB-CG 4.43Å; C1756-M1758 PolarHBondContact O-N 2.83Å
1759P81.1Confident80.4Confident56 Ų5643.3 Ų43.336%0.36424%0.243SC..  trans-74.2124.4179.628.5-31.3000110.1I1749 P1754 G1757 K1761 S1762I1749-P1759 HydrophobicContact CG2-CB 4.36Å; P1754-P1759 HydrophobicContact CB-CB 4.48Å; G1757-P1759 WeakPolarHBondContact O-CD 3.3Å; P1759-K1761 PolarHBondContact O-N 3.08Å; P1759-S1762 PolarHBondContact O-N 3.16Å; P1759-S1762 PolarHBondContact O-OG 3.21Å
1760P79.9Confident79.7Confident3 Ų347.9 Ų47.92%0.01926%0.264CS..Hα-helixtrans-48.3-39.8-170.2-5.6-8.1000115Y74 I1749 S1762 C1763 W1764 L1785Y74-P1760 HydrophobicContact CD1-CB 3.65Å; Y74-P1760 HydrophobicContact CD1-CG 4.25Å; Y74-P1760 HydrophobicContact CD2-CB 3.84Å; Y74-P1760 HydrophobicContact CD2-CG 3.81Å; Y74-P1760 HydrophobicContact CE1-CB 3.83Å; Y74-P1760 HydrophobicContact CE1-CG 4.02Å; Y74-P1760 HydrophobicContact CE2-CB 4.02Å; Y74-P1760 HydrophobicContact CE2-CG 3.57Å; Y74-P1760 HydrophobicContact CG-CB 3.64Å; Y74-P1760 HydrophobicContact CG-CG 4.14Å; I1749-P1760 HydrophobicContact CD1-CG 4.1Å; I1749-P1760 HydrophobicContact CG1-CG 4.05Å; P1760-S1762 VanDerWaalsContact C-N 3.29Å; P1760-S1762 PolarHBondContact O-N 3Å; P1760-C1763 WeakPolarHBondContact O-CB 3.35Å; P1760-C1763 PolarHBondContact O-N 3.43Å; P1760-W1764 HydrophobicContact CB-CD2 4.3Å; P1760-W1764 HydrophobicContact CB-CE3 3.96Å; P1760-W1764 HydrophobicContact CB-CH2 3.16Å; P1760-W1764 HydrophobicContact CB-CZ2 3.57Å; P1760-W1764 HydrophobicContact CB-CZ3 3.39Å; P1760-W1764 HydrophobicContact CG-CH2 4.15Å; P1760-W1764 HydrophobicContact CG-CZ3 4.44Å; P1760-W1764 PolarHBondContact O-N 2.95Å; P1760-L1785 HydrophobicContact CG-CD2 4.27Å
1761K77.8Confident79Confident114 Ų11448.4 Ų48.450%0.49628%0.278SS..Hα-helixtrans-61-25.3180-177.2177.1174.3-173.50115.2I1749 P1759I1749-K1761 HydrophobicContact CD1-CB 4.02Å; P1759-K1761 PolarHBondContact O-N 3.08Å
1762S77.7Confident78.5Confident59 Ų5946.9 Ų46.941%0.41327%0.271SS..Hα-helixtrans-76-41171.154.40000111P1759 P1760 W1764 S1765P1759-S1762 PolarHBondContact O-N 3.16Å; P1759-S1762 PolarHBondContact O-OG 3.21Å; P1760-S1762 VanDerWaalsContact C-N 3.29Å; P1760-S1762 PolarHBondContact O-N 3Å; S1762-W1764 PolarHBondContact O-N 2.79Å; S1762-S1765 WeakPolarHBondContact O-CB 3.33Å; S1762-S1765 PolarHBondContact O-N 2.86Å; S1762-S1765 VanDerWaalsContact O-N 3.12Å; S1762-S1765 PolarHBondContact O-OG 2.91Å
1763C77.1Confident78.1Confident11 Ų1152.7 Ų52.77%0.07430%0.301CS..Hα-helixtrans-66.5-38.3-177.4-520000112.1Y74 P1760 S1765Y74-C1763 WeakPolarHBondContact O-CB 3.35Å; P1760-C1763 WeakPolarHBondContact O-CB 3.35Å; P1760-C1763 PolarHBondContact O-N 3.43Å; C1763-S1765 VanDerWaalsContact C-N 3.3Å; C1763-S1765 PolarHBondContact O-N 2.85Å
1764W81.2Confident78Confident25 Ų2552.9 Ų52.910%0.09530%0.299CS..THydrogen-bonded Turntrans-83.85.5173.6-47.6-44.6000114.6Y74 M1623 R1624 P1760 S1762 D1782Y74-W1764 HydrophobicContact CD1-CH2 4.31Å; Y74-W1764 AromaticContact CD1-CZ2 3.6Å; Y74-W1764 HydrophobicContact CD1-CZ2 3.6Å; Y74-W1764 HydrophobicContact CE1-CH2 4.27Å; Y74-W1764 AromaticContact CE1-CZ2 3.89Å; Y74-W1764 HydrophobicContact CE1-CZ2 3.89Å; M1623-W1764 CarbonylContact C-O 3.55Å; M1623-W1764 WeakPolarHBondContact CA-O 3.4Å; M1623-W1764 HydrophobicContact CE-CB 4.32Å; R1624-W1764 PolarHBondContact N-O 2.89Å; R1624-W1764 WeakPolarHBondContact O-CA 3.42Å; P1760-W1764 HydrophobicContact CB-CD2 4.3Å; P1760-W1764 HydrophobicContact CB-CE3 3.96Å; P1760-W1764 HydrophobicContact CB-CH2 3.16Å; P1760-W1764 HydrophobicContact CB-CZ2 3.57Å; P1760-W1764 HydrophobicContact CB-CZ3 3.39Å; P1760-W1764 HydrophobicContact CG-CH2 4.15Å; P1760-W1764 HydrophobicContact CG-CZ3 4.44Å; P1760-W1764 PolarHBondContact O-N 2.95Å; S1762-W1764 PolarHBondContact O-N 2.79Å; W1764-D1782 HydrophobicContact CE3-CB 3.92Å; W1764-D1782 HydrophobicContact CH2-CB 3.3Å; W1764-D1782 WeakPolarHBondContact CH2-OD2 3.35Å; W1764-D1782 HydrophobicContact CZ2-CB 4.06Å; W1764-D1782 HydrophobicContact CZ3-CB 3.21Å
1765S85.7Confident78.3Confident60 Ų6056 Ų5642%0.4231%0.313SS..SBendtrans-74.6144.3177.574.10000111.2R1624 S1762 C1763 N1767R1624-S1765 WeakPolarHBondContact CB-O 3.47Å; S1762-S1765 WeakPolarHBondContact O-CB 3.33Å; S1762-S1765 PolarHBondContact O-N 2.86Å; S1762-S1765 VanDerWaalsContact O-N 3.12Å; S1762-S1765 PolarHBondContact O-OG 2.91Å; C1763-S1765 VanDerWaalsContact C-N 3.3Å; C1763-S1765 PolarHBondContact O-N 2.85Å; S1765-N1767 PolarHBondContact O-N 2.97Å; S1765-N1767 VanDerWaalsContact O-N 3.09Å
1766Y85.4Confident78.2Confident7 Ų757 Ų573%0.02732%0.322CS..  trans-57114179.3173.8-97000111N1598 T1600 R1619 D1622 R1768 E1772 P1776N1598-Y1766 HydrophobicContact CB-CD2 3.77Å; N1598-Y1766 HydrophobicContact CB-CE2 3.89Å; T1600-Y1766 HydrophobicContact CG2-CD2 3.77Å; T1600-Y1766 HydrophobicContact CG2-CE2 3.43Å; T1600-Y1766 VanDerWaalsContact CG2-CE2 3.43Å; R1619-Y1766 PolarHBondContact NH1-OH 3.25Å; D1622-Y1766 HydrophobicContact CB-CD2 4.07Å; D1622-Y1766 HydrophobicContact CB-CG 4.27Å; Y1766-R1768 HydrophobicContact CD1-CG 4.14Å; Y1766-R1768 HydrophobicContact CE1-CB 4.46Å; Y1766-R1768 HydrophobicContact CE1-CG 4.12Å; Y1766-E1772 VanDerWaalsContact CE1-OE1 3.31Å; Y1766-E1772 WeakPolarHBondContact CE1-OE1 3.49Å; Y1766-E1772 PolarHBondContact OH-OE1 2.91Å; Y1766-P1776 HydrophobicContact CD1-CG 4.3Å
1767N83.6Confident78.3Confident53 Ų5359 Ų5928%0.28334%0.335SS..  trans-79121.7176.1-173.710.9000108.9L1596 N1598 S1765 P1769L1596-N1767 HydrophobicContact CD1-CB 4.39Å; N1598-N1767 PolarHBondContact ND2-O 2.98Å; N1598-N1767 PolarHBondContact OD1-N 2.75Å; S1765-N1767 PolarHBondContact O-N 2.97Å; S1765-N1767 VanDerWaalsContact O-N 3.09Å; N1767-P1769 VanDerWaalsContact O-CD 3.3Å; N1767-P1769 WeakPolarHBondContact O-CD 3.16Å
1768R77.5Confident78.5Confident79 Ų7958.8 Ų58.830%0.29833%0.332SS..  trans-80.9114.4-175.3-52.1-171.2-164.8-157.54.2109.6Y1766 Q1770 E1772 A1774 N1775Y1766-R1768 HydrophobicContact CD1-CG 4.14Å; Y1766-R1768 HydrophobicContact CE1-CB 4.46Å; Y1766-R1768 HydrophobicContact CE1-CG 4.12Å; R1768-Q1770 WeakPolarHBondContact CB-O 3.4Å; R1768-Q1770 PolarHBondContact O-N 3.5Å; R1768-E1772 PolarHBondContact NH1-O 2.99Å; R1768-A1774 PolarHBondContact NH1-O 2.91Å; R1768-N1775 PolarHBondContact NH2-OD1 3.07Å
1769P67.1Low78.9Confident30 Ų3061.3 Ų61.320%0.19534%0.343CS..SBendtrans-65.8-26.8178.626.7-34.2000112.3R1574 L1596 N1767R1574-P1769 HydrophobicContact CG-CG 4.32Å; L1596-P1769 HydrophobicContact CD1-CB 3.9Å; N1767-P1769 VanDerWaalsContact O-CD 3.3Å; N1767-P1769 WeakPolarHBondContact O-CD 3.16Å
1770Q73.1Confident79.5Confident124 Ų12459.6 Ų59.658%0.57933%0.331SS*.SBendtrans-141.1159.7175.4-65.4-172.77.400109.4R1768 E1772R1768-Q1770 WeakPolarHBondContact CB-O 3.4Å; R1768-Q1770 PolarHBondContact O-N 3.5Å; Q1770-E1772 VanDerWaalsContact C-N 3.32Å; Q1770-E1772 PolarHBondContact O-N 3.4Å
1771P72.2Confident80Confident123 Ų12359.5 Ų59.580%0.79933%0.331SS*.  trans-66.685.217826.2-35000112.6
1772E74.5Confident80.7Confident26 Ų2654.3 Ų54.312%0.12131%0.309CS..  trans-74.1140.8176.3-68.1177.4-143.300113.1I1572 R1619 Y1766 R1768 Q1770 A1774I1572-E1772 HydrophobicContact CD1-CG 4.24Å; R1619-E1772 IonicContact CZ-OE2 3.13Å; R1619-E1772 IonicContact NH1-OE1 2.76Å; R1619-E1772 PolarHBondContact NH1-OE1 2.82Å; R1619-E1772 IonicContact NH1-OE2 2.61Å; R1619-E1772 PolarHBondContact NH1-OE2 3.16Å; R1619-E1772 IonicContact NH2-OE2 2.69Å; R1619-E1772 PolarHBondContact NH2-OE2 3.02Å; Y1766-E1772 VanDerWaalsContact CE1-OE1 3.31Å; Y1766-E1772 WeakPolarHBondContact CE1-OE1 3.49Å; Y1766-E1772 PolarHBondContact OH-OE1 2.91Å; R1768-E1772 PolarHBondContact NH1-O 2.99Å; Q1770-E1772 VanDerWaalsContact C-N 3.32Å; Q1770-E1772 PolarHBondContact O-N 3.4Å; E1772-A1774 PolarHBondContact O-N 2.91Å
1773L73.6Confident81.2Confident188 Ų18851.5 Ų51.598%0.98429%0.289SS*.SBendtrans-70.1-8.3167.6-66.7172.1000113.9
1774A74.5Confident81.7Confident36 Ų3652.7 Ų52.730%0.29830%0.295SS..SBendtrans-100.6129.7178.100000110.5R1619 R1768 E1772R1619-A1774 PolarHBondContact NH2-O 2.82Å; R1768-A1774 PolarHBondContact NH1-O 2.91Å; E1772-A1774 PolarHBondContact O-N 2.91Å
1775N79.2Confident82.1Confident120 Ų12051.6 Ų51.664%0.64229%0.291SS*.PPolyproline II helixtrans-73.4156.7172.8-74.9-32.2000111.5R1619 R1768R1619-N1775 PolarHBondContact NH2-O 3.37Å; R1768-N1775 PolarHBondContact NH2-OD1 3.07Å
1776P80.5Confident82.4Confident52 Ų5248.8 Ų48.834%0.33827%0.271SS..PPolyproline II helixtrans-54.4139.9164.5-27.336000112Y1766Y1766-P1776 HydrophobicContact CD1-CG 4.3Å
1777C83.3Confident82.7Confident42 Ų4249.4 Ų49.428%0.28427%0.273SS..  trans-85.8-33.2177.5-600000112R1619 D1622 K1779R1619-C1777 PolarHBondContact O-SG 2.92Å; R1619-C1777 VanDerWaalsContact O-SG 3.32Å; D1622-C1777 PolarHBondContact OD1-N 3.15Å; D1622-C1777 WeakPolarHBondContact OD2-CB 3.42Å; D1622-C1777 PolarHBondContact OD2-N 2.93Å; C1777-K1779 PolarHBondContact O-N 2.79Å
1778G83.1Confident82.9Confident22 Ų2250.2 Ų50.223%0.22727%0.272CS..  trans61.4-124-16500000110.8A1621 D1622 V1780A1621-G1778 CarbonylContact C-O 3.53Å; A1621-G1778 WeakPolarHBondContact CA-O 3.38Å; A1621-G1778 WeakPolarHBondContact CB-O 3.38Å; D1622-G1778 PolarHBondContact N-O 3.21Å; D1622-G1778 CarbonylContact O-C 3.54Å; D1622-G1778 WeakPolarHBondContact O-CA 3.27Å; D1622-G1778 PolarHBondContact OD1-N 3.42Å; G1778-V1780 PolarHBondContact O-N 2.96Å
1779K89.4Confident83.6Confident57 Ų5746.5 Ų46.525%0.24826%0.258CS..  trans6614.3-177.6-53.6-174.4-160.1145.40116.2F13 S14 A15 C1620 A1621 Y1738 C1777F13-K1779 WeakPolarHBondContact O-CB 3.32Å; F13-K1779 VanDerWaalsContact O-CD 3.25Å; F13-K1779 WeakPolarHBondContact O-CD 3.39Å; S14-K1779 CarbonylContact C-O 3.56Å; S14-K1779 WeakPolarHBondContact CA-O 3.49Å; A15-K1779 PolarHBondContact N-O 3.31Å; C1620-K1779 WeakPolarHBondContact O-CD 3.37Å; C1620-K1779 PolarHBondContact O-NZ 2.98Å; A1621-K1779 HydrophobicContact CB-CB 3.93Å; Y1738-K1779 HydrophobicContact CE1-CB 4.21Å; Y1738-K1779 HydrophobicContact CE1-CG 4.3Å; Y1738-K1779 VanDerWaalsContact OH-CA 3.29Å; Y1738-K1779 WeakPolarHBondContact OH-CA 3.44Å; Y1738-K1779 PolarHBondContact OH-N 3.37Å; C1777-K1779 PolarHBondContact O-N 2.79Å
1780V92.6Very high84.7Confident20 Ų2045.4 Ų45.412%0.12125%0.251CS..EExtended strand (participates in β ladder)trans-101.2142.5156.3-160.80000108.7A15 F17 M1623 Y1738 G1778A15-V1780 HydrophobicContact CB-CG1 4.11Å; A15-V1780 HydrophobicContact CB-CG2 4.27Å; A15-V1780 CarbonylContact O-C 3.45Å; A15-V1780 WeakPolarHBondContact O-CA 3.37Å; F17-V1780 HydrophobicContact CB-CG1 3.82Å; M1623-V1780 HydrophobicContact CB-CB 4.35Å; M1623-V1780 HydrophobicContact CB-CG2 4.02Å; M1623-V1780 HydrophobicContact CE-CB 4.35Å; M1623-V1780 HydrophobicContact CE-CG1 4.12Å; M1623-V1780 HydrophobicContact CG-CG2 4.13Å; M1623-V1780 HydrophobicContact SD-CB 3.91Å; M1623-V1780 HydrophobicContact SD-CG1 3.63Å; M1623-V1780 HydrophobicContact SD-CG2 3.87Å; Y1738-V1780 PolarHBondContact OH-O 3.45Å; G1778-V1780 PolarHBondContact O-N 2.96Å
1781A91.7Very high85.5Confident1 Ų140.1 Ų40.11%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-105.3148.1165.600000109.3A15 V16 F17 Y1738 I1786A15-A1781 PolarHBondContact O-N 3.06Å; V16-A1781 WeakPolarHBondContact CA-O 3.32Å; F17-A1781 PolarHBondContact N-O 2.95Å; Y1738-A1781 HydrophobicContact CD2-CB 3.87Å; Y1738-A1781 HydrophobicContact CE2-CB 3.72Å; A1781-I1786 HydrophobicContact CB-CD1 4Å
1782D91.3Very high86.4Confident5 Ų534.6 Ų34.63%0.02719%0.191CC..EExtended strand (participates in β ladder)trans-87.1116.5170.817440.4000112F17 W1764 D1784 L1785 I1786F17-D1782 WeakPolarHBondContact CD1-OD1 3.11Å; W1764-D1782 HydrophobicContact CE3-CB 3.92Å; W1764-D1782 HydrophobicContact CH2-CB 3.3Å; W1764-D1782 WeakPolarHBondContact CH2-OD2 3.35Å; W1764-D1782 HydrophobicContact CZ2-CB 4.06Å; W1764-D1782 HydrophobicContact CZ3-CB 3.21Å; D1782-D1784 VanDerWaalsContact C-N 3.33Å; D1782-D1784 PolarHBondContact OD1-N 3.09Å; D1782-D1784 PolarHBondContact OD2-N 2.72Å; D1782-L1785 WeakPolarHBondContact OD2-CB 3.38Å; D1782-L1785 PolarHBondContact OD2-N 2.88Å; D1782-I1786 WeakPolarHBondContact O-CB 3.26Å; D1782-I1786 VanDerWaalsContact O-CD1 3.26Å; D1782-I1786 WeakPolarHBondContact O-CD1 3.48Å; D1782-I1786 WeakPolarHBondContact O-CG1 3.25Å; D1782-I1786 PolarHBondContact O-N 3.46Å
1783G89.8Confident87.1Confident0 Ų033.6 Ų33.60%019%0.186CC..Hα-helixtrans-71-21.7175.100000113.9F17 W1787F17-G1783 WeakPolarHBondContact O-CA 3.39Å; F17-G1783 PolarHBondContact O-N 2.86Å; G1783-W1787 WeakPolarHBondContact O-CB 3.47Å; G1783-W1787 PolarHBondContact O-N 3.43Å
1784D87.6Confident87.8Confident36 Ų3625 Ų2519%0.19314%0.141CC..Hα-helixtrans-78.5-43.7-177.7-65.9-47.1000112.1K18 H19 D1782 W1787 R1788K18-D1784 WeakPolarHBondContact CG-OD1 3.32Å; K18-D1784 IonicContact NZ-OD1 3.84Å; K18-D1784 PolarHBondContact NZ-OD1 3.36Å; H19-D1784 WeakPolarHBondContact CB-OD2 3.36Å; H19-D1784 IonicContact CE1-OD2 2.76Å; H19-D1784 IonicContact CG-OD2 2.78Å; H19-D1784 PolarHBondContact N-OD2 2.78Å; H19-D1784 IonicContact ND1-OD2 2.7Å; H19-D1784 PolarHBondContact ND1-OD2 3.21Å; D1782-D1784 VanDerWaalsContact C-N 3.33Å; D1782-D1784 PolarHBondContact OD1-N 3.09Å; D1782-D1784 PolarHBondContact OD2-N 2.72Å; D1784-W1787 PolarHBondContact O-N 2.91Å; D1784-R1788 PolarHBondContact O-N 2.82Å; D1784-R1788 VanDerWaalsContact O-N 3.16Å
1785L89.1Confident88.5Confident2 Ų226 Ų261%0.0115%0.146CC..Hα-helixtrans-63.8-39.8168.3-177.165.2000111.8E1745 L1748 I1749 L1752 P1760 D1782 W1787 R1788E1745-L1785 HydrophobicContact CG-CD2 4.16Å; L1748-L1785 HydrophobicContact CB-CD1 4.31Å; L1748-L1785 HydrophobicContact CB-CD2 4.41Å; L1748-L1785 HydrophobicContact CB-CG 4.18Å; I1749-L1785 HydrophobicContact CD1-CD2 4.17Å; I1749-L1785 HydrophobicContact CG1-CD2 3.45Å; I1749-L1785 VanDerWaalsContact CG1-CD2 3.45Å; L1752-L1785 HydrophobicContact CD1-CD1 3.66Å; P1760-L1785 HydrophobicContact CG-CD2 4.27Å; D1782-L1785 WeakPolarHBondContact OD2-CB 3.38Å; D1782-L1785 PolarHBondContact OD2-N 2.88Å; L1785-W1787 VanDerWaalsContact C-N 3.33Å; L1785-W1787 PolarHBondContact O-N 2.93Å; L1785-R1788 WeakPolarHBondContact O-CB 3.26Å; L1785-R1788 PolarHBondContact O-N 2.96Å
1786I92Very high89.1Confident1 Ų123.2 Ų23.21%0.00513%0.129CC..Hα-helixtrans-62.4-40.1174.5-71.4167000110.8L1741 A1781 D1782 R1788 Y1789 I1815L1741-I1786 HydrophobicContact CB-CD1 3.93Å; L1741-I1786 HydrophobicContact CD1-CD1 4.48Å; L1741-I1786 HydrophobicContact CD2-CD1 4.47Å; L1741-I1786 HydrophobicContact CD2-CG2 4.21Å; A1781-I1786 HydrophobicContact CB-CD1 4Å; D1782-I1786 WeakPolarHBondContact O-CB 3.26Å; D1782-I1786 VanDerWaalsContact O-CD1 3.26Å; D1782-I1786 WeakPolarHBondContact O-CD1 3.48Å; D1782-I1786 WeakPolarHBondContact O-CG1 3.25Å; D1782-I1786 PolarHBondContact O-N 3.46Å; I1786-R1788 VanDerWaalsContact C-N 3.27Å; I1786-R1788 PolarHBondContact O-N 2.87Å; I1786-Y1789 WeakPolarHBondContact O-CB 3.39Å; I1786-Y1789 PolarHBondContact O-N 2.98Å; I1786-I1815 HydrophobicContact CG2-CD1 3.75Å; I1786-I1815 HydrophobicContact CG2-CG1 3.7Å
1787W90.2Very high89.6Confident21 Ų2120.8 Ų20.88%0.0811%0.113CC..Hα-helixtrans-67.3-26.5176.9-94.2-125.6000112.5G1783 D1784 L1785 Y1789 L1790 I1815 L1818 I1819G1783-W1787 WeakPolarHBondContact O-CB 3.47Å; G1783-W1787 PolarHBondContact O-N 3.43Å; D1784-W1787 PolarHBondContact O-N 2.91Å; L1785-W1787 VanDerWaalsContact C-N 3.33Å; L1785-W1787 PolarHBondContact O-N 2.93Å; W1787-Y1789 PolarHBondContact O-N 3.3Å; W1787-L1790 WeakPolarHBondContact O-CB 3.44Å; W1787-L1790 PolarHBondContact O-N 3.23Å; W1787-I1815 HydrophobicContact CD2-CG2 4.12Å; W1787-I1815 HydrophobicContact CE3-CG2 4.03Å; W1787-I1815 HydrophobicContact CH2-CG2 4.26Å; W1787-I1815 HydrophobicContact CZ2-CG2 4.31Å; W1787-I1815 HydrophobicContact CZ3-CG2 4.1Å; W1787-L1818 HydrophobicContact CH2-CB 3.71Å; W1787-L1818 HydrophobicContact CH2-CD1 4.43Å; W1787-L1818 HydrophobicContact CZ3-CB 4.46Å; W1787-L1818 HydrophobicContact CZ3-CD1 4.43Å; W1787-I1819 HydrophobicContact CH2-CG1 4.33Å; W1787-I1819 HydrophobicContact CZ2-CB 4.49Å; W1787-I1819 HydrophobicContact CZ2-CD1 4.28Å; W1787-I1819 HydrophobicContact CZ2-CG1 3.37Å
1788R88.8Confident90Very high69 Ų6919.5 Ų19.526%0.2610%0.103SC..Hα-helixtrans-61-21171-67.8-173.6-176-162.53.5112.9L1752 D1784 L1785 I1786 L1790 T1791L1752-R1788 HydrophobicContact CD1-CB 4.22Å; D1784-R1788 PolarHBondContact O-N 2.82Å; D1784-R1788 VanDerWaalsContact O-N 3.16Å; L1785-R1788 WeakPolarHBondContact O-CB 3.26Å; L1785-R1788 PolarHBondContact O-N 2.96Å; I1786-R1788 VanDerWaalsContact C-N 3.27Å; I1786-R1788 PolarHBondContact O-N 2.87Å; R1788-L1790 PolarHBondContact O-N 2.98Å; R1788-T1791 PolarHBondContact O-N 2.99Å; R1788-T1791 PolarHBondContact O-OG1 3.43Å
1789Y92.7Very high90.4Very high1 Ų122.6 Ų22.60%0.00411%0.111CC..G310 helixtrans-54.4-40170.4-173.2-109.1000112.1T1744 L1748 I1786 W1787 T1791 L1792 R1797 I1800 L1808 I1811 M1812 I1815T1744-Y1789 HydrophobicContact CG2-CD2 4.4Å; L1748-Y1789 HydrophobicContact CD2-CD2 4.23Å; I1786-Y1789 WeakPolarHBondContact O-CB 3.39Å; I1786-Y1789 PolarHBondContact O-N 2.98Å; W1787-Y1789 PolarHBondContact O-N 3.3Å; Y1789-T1791 PolarHBondContact O-N 2.85Å; Y1789-L1792 PolarHBondContact O-N 2.85Å; Y1789-R1797 HydrophobicContact CD1-CG 4.35Å; Y1789-R1797 HydrophobicContact CD2-CG 4.1Å; Y1789-R1797 HydrophobicContact CE1-CB 4.38Å; Y1789-R1797 HydrophobicContact CE1-CG 4.04Å; Y1789-R1797 HydrophobicContact CE2-CB 3.96Å; Y1789-R1797 HydrophobicContact CE2-CG 3.76Å; Y1789-R1797 HydrophobicContact CG-CG 4.38Å; Y1789-R1797 VanDerWaalsContact O-CD 3.28Å; Y1789-R1797 WeakPolarHBondContact O-CD 3.4Å; Y1789-R1797 WeakPolarHBondContact O-CG 3.3Å; Y1789-R1797 PolarHBondContact OH-O 2.92Å; Y1789-I1800 HydrophobicContact CD2-CG2 4.19Å; Y1789-I1800 HydrophobicContact CE2-CB 4.05Å; Y1789-I1800 HydrophobicContact CE2-CG2 3.81Å; Y1789-L1808 HydrophobicContact CE1-CD1 4.06Å; Y1789-L1808 VanDerWaalsContact OH-CD1 3.23Å; Y1789-L1808 WeakPolarHBondContact OH-CD1 3.34Å; Y1789-I1811 HydrophobicContact CD1-CG2 3.72Å; Y1789-I1811 HydrophobicContact CE1-CB 4.05Å; Y1789-I1811 HydrophobicContact CE1-CG2 3.49Å; Y1789-I1811 VanDerWaalsContact CE1-CG2 3.49Å; Y1789-I1811 HydrophobicContact CG-CG2 4.42Å; Y1789-M1812 HydrophobicContact CD1-SD 4.47Å; Y1789-M1812 HydrophobicContact CE1-SD 4.29Å; Y1789-I1815 HydrophobicContact CD1-CD1 4.09Å
1790L90Very high90.6Very high8 Ų819.9 Ų19.94%0.04210%0.1CC..G310 helixtrans-67.6-16.1177.5-53.2178.5000113.3P1212 P1214 W1787 R1788 M1812 I1815P1212-L1790 HydrophobicContact CB-CB 4.03Å; P1212-L1790 HydrophobicContact CB-CD1 3.99Å; P1214-L1790 HydrophobicContact CB-CD1 4.2Å; P1214-L1790 HydrophobicContact CG-CD1 3.92Å; W1787-L1790 WeakPolarHBondContact O-CB 3.44Å; W1787-L1790 PolarHBondContact O-N 3.23Å; R1788-L1790 PolarHBondContact O-N 2.98Å; L1790-M1812 HydrophobicContact CD2-CE 3.82Å; L1790-M1812 HydrophobicContact CD2-SD 3.51Å; L1790-M1812 VanDerWaalsContact CD2-SD 3.51Å; L1790-I1815 HydrophobicContact CD1-CG2 3.96Å; L1790-I1815 HydrophobicContact CD2-CD1 4.24Å; L1790-I1815 HydrophobicContact CD2-CG2 4.34Å; L1790-I1815 HydrophobicContact CG-CG2 4.38Å
1791T89.1Confident90.7Very high13 Ų1319.1 Ų19.18%0.0810%0.095CC..G310 helixtrans-93.4-5.3-179.365.90000113.3R1208 P1210 P1212 R1788 Y1789R1208-T1791 PolarHBondContact NE-O 2.78Å; P1210-T1791 HydrophobicContact CB-CG2 4.44Å; P1212-T1791 HydrophobicContact CB-CG2 4.16Å; R1788-T1791 PolarHBondContact O-N 2.99Å; R1788-T1791 PolarHBondContact O-OG1 3.43Å; Y1789-T1791 PolarHBondContact O-N 2.85Å
1792L90.7Very high90.6Very high7 Ų724.1 Ų24.14%0.03712%0.117CC..SBendtrans-85.7147.9-177.2-65.3176.7000112.9L1748 L1752 Y1789 Q1796 R1797 I1800L1748-L1792 HydrophobicContact CD2-CD1 3.89Å; L1752-L1792 HydrophobicContact CD2-CD2 4.08Å; Y1789-L1792 PolarHBondContact O-N 2.85Å; L1792-Q1796 HydrophobicContact CB-CB 4.42Å; L1792-R1797 HydrophobicContact CB-CG 3.99Å; L1792-R1797 PolarHBondContact O-NE 3.13Å; L1792-R1797 PolarHBondContact O-NH2 2.88Å; L1792-R1797 VanDerWaalsContact O-NH2 3.11Å; L1792-I1800 HydrophobicContact CD1-CD1 3.51Å
1793P89.7Confident90.7Very high4 Ų428.9 Ų28.93%0.02614%0.138CC..  trans-48.6150165.7-27.935.3000113.2C1795 Q1796 R1797P1793-C1795 PolarHBondContact O-N 3.34Å; P1793-Q1796 HydrophobicContact CB-CG 4.45Å; P1793-Q1796 PolarHBondContact O-N 3.11Å; P1793-R1797 PolarHBondContact O-N 2.84Å; P1793-R1797 VanDerWaalsContact O-N 3.08Å
1794H88.6Confident90.8Very high7 Ų729.2 Ų29.23%0.03214%0.14CC..Hα-helixtrans-59.2-47.3-173.4179.577.6000112.3D1115 P1150 Q1796 R1797 L1798D1115-H1794 PolarHBondContact O-N 2.89Å; D1115-H1794 IonicContact OD1-CD2 2.78Å; P1150-H1794 HydrophobicContact CB-CB 4.39Å; H1794-Q1796 VanDerWaalsContact C-N 3.32Å; H1794-Q1796 PolarHBondContact O-N 3.24Å; H1794-R1797 WeakPolarHBondContact O-CB 3.31Å; H1794-R1797 PolarHBondContact O-N 3.03Å; H1794-R1797 VanDerWaalsContact O-N 3.13Å; H1794-L1798 WeakPolarHBondContact NE2-CD1 3.34Å; H1794-L1798 PolarHBondContact O-N 2.9Å
1795C88.8Confident91Very high59 Ų5931 Ų3140%0.39917%0.167SC..Hα-helixtrans-55.1-39.8175.659.50000114P1793 L1798 E1799P1793-C1795 PolarHBondContact O-N 3.34Å; C1795-L1798 PolarHBondContact O-N 2.85Å; C1795-E1799 PolarHBondContact O-N 3.4Å
1796Q91Very high91.2Very high60 Ų6032.2 Ų32.228%0.2817%0.172SC..Hα-helixtrans-72.2-37.2177.7-67.3179.80.700111.9H1751 L1792 P1793 H1794 E1799 I1800H1751-Q1796 PolarHBondContact CE1-OE1 3.42Å; L1792-Q1796 HydrophobicContact CB-CB 4.42Å; P1793-Q1796 HydrophobicContact CB-CG 4.45Å; P1793-Q1796 PolarHBondContact O-N 3.11Å; H1794-Q1796 VanDerWaalsContact C-N 3.32Å; H1794-Q1796 PolarHBondContact O-N 3.24Å; Q1796-E1799 PolarHBondContact O-N 3Å; Q1796-I1800 WeakPolarHBondContact O-CB 3.25Å; Q1796-I1800 WeakPolarHBondContact O-CG1 3.18Å; Q1796-I1800 PolarHBondContact O-N 3.39Å
1797R91.9Very high91.1Very high1 Ų134.5 Ų34.50%0.00419%0.188CC..Hα-helixtrans-61.5-42.7172.5-80.8-172.5-85.8-172.1-16.5112.2E1177 Y1789 L1792 P1793 H1794 I1800 A1801 L1808E1177-R1797 IonicContact OE1-CZ 2.73Å; E1177-R1797 IonicContact OE1-NH1 3.2Å; E1177-R1797 IonicContact OE1-NH2 2.98Å; E1177-R1797 PolarHBondContact OE1-NH2 2.84Å; E1177-R1797 IonicContact OE2-CZ 3.8Å; E1177-R1797 IonicContact OE2-NH1 3.52Å; E1177-R1797 PolarHBondContact OE2-NH1 3.48Å; E1177-R1797 IonicContact OE2-NH2 2.68Å; E1177-R1797 PolarHBondContact OE2-NH2 3.33Å; Y1789-R1797 HydrophobicContact CD1-CG 4.35Å; Y1789-R1797 HydrophobicContact CD2-CG 4.1Å; Y1789-R1797 HydrophobicContact CE1-CB 4.38Å; Y1789-R1797 HydrophobicContact CE1-CG 4.04Å; Y1789-R1797 HydrophobicContact CE2-CB 3.96Å; Y1789-R1797 HydrophobicContact CE2-CG 3.76Å; Y1789-R1797 HydrophobicContact CG-CG 4.38Å; Y1789-R1797 VanDerWaalsContact O-CD 3.28Å; Y1789-R1797 WeakPolarHBondContact O-CD 3.4Å; Y1789-R1797 WeakPolarHBondContact O-CG 3.3Å; Y1789-R1797 PolarHBondContact OH-O 2.92Å; L1792-R1797 HydrophobicContact CB-CG 3.99Å; L1792-R1797 PolarHBondContact O-NE 3.13Å; L1792-R1797 PolarHBondContact O-NH2 2.88Å; L1792-R1797 VanDerWaalsContact O-NH2 3.11Å; P1793-R1797 PolarHBondContact O-N 2.84Å; P1793-R1797 VanDerWaalsContact O-N 3.08Å; H1794-R1797 WeakPolarHBondContact O-CB 3.31Å; H1794-R1797 PolarHBondContact O-N 3.03Å; H1794-R1797 VanDerWaalsContact O-N 3.13Å; R1797-I1800 PolarHBondContact O-N 3.08Å; R1797-A1801 WeakPolarHBondContact O-CB 3.1Å; R1797-A1801 PolarHBondContact O-N 3.03Å; R1797-L1808 HydrophobicContact CB-CD1 3.96Å
1798L91.7Very high91.1Very high15 Ų1534.1 Ų34.18%0.07919%0.188CC..Hα-helixtrans-62.7-44.1174.5-73.1179.2000112.1D1147 H1794 C1795 I1800 A1801 K1802 L1808D1147-L1798 VanDerWaalsContact O-CD2 3.22Å; D1147-L1798 WeakPolarHBondContact O-CD2 3.34Å; H1794-L1798 WeakPolarHBondContact NE2-CD1 3.34Å; H1794-L1798 PolarHBondContact O-N 2.9Å; C1795-L1798 PolarHBondContact O-N 2.85Å; L1798-I1800 PolarHBondContact O-N 2.76Å; L1798-A1801 PolarHBondContact O-N 3.45Å; L1798-K1802 WeakPolarHBondContact O-CB 3.5Å; L1798-K1802 WeakPolarHBondContact O-CG 3.5Å; L1798-K1802 PolarHBondContact O-N 3Å; L1798-L1808 HydrophobicContact CD2-CB 4.08Å; L1798-L1808 HydrophobicContact CD2-CD2 3.87Å
1799E91.9Very high91.1Very high87 Ų8734.5 Ų34.541%0.40719%0.192SC..Hα-helixtrans-62.2-44.7178.3-159-154-172.300111.5H1751 C1795 Q1796 K1802 K1803H1751-E1799 IonicContact CD2-OE2 2.69Å; C1795-E1799 PolarHBondContact O-N 3.4Å; Q1796-E1799 PolarHBondContact O-N 3Å; E1799-K1802 PolarHBondContact O-N 3.01Å; E1799-K1803 VanDerWaalsContact CD-CE 3.44Å; E1799-K1803 HydrophobicContact CG-CD 4.38Å; E1799-K1803 WeakPolarHBondContact O-CB 3.44Å; E1799-K1803 VanDerWaalsContact O-CG 3.3Å; E1799-K1803 WeakPolarHBondContact O-CG 3.37Å; E1799-K1803 PolarHBondContact O-N 3.49Å; E1799-K1803 WeakPolarHBondContact OE1-CE 3.28Å; E1799-K1803 IonicContact OE1-NZ 3.7Å; E1799-K1803 PolarHBondContact OE1-NZ 3.43Å; E1799-K1803 IonicContact OE2-NZ 3.7Å; E1799-K1803 PolarHBondContact OE2-NZ 3.05Å
1800I93.3Very high91Very high1 Ų135.7 Ų35.71%0.00520%0.201CC..Hα-helixtrans-65.5-39.2176.2-68.8168.4000111.3T1744 N1747 L1748 H1751 Y1789 L1792 Q1796 R1797 L1798 K1803 S1804T1744-I1800 HydrophobicContact CG2-CG2 4.16Å; N1747-I1800 HydrophobicContact CB-CG2 4.24Å; L1748-I1800 HydrophobicContact CD2-CD1 4.09Å; H1751-I1800 HydrophobicContact CB-CD1 4Å; H1751-I1800 HydrophobicContact CB-CG1 4.39Å; Y1789-I1800 HydrophobicContact CD2-CG2 4.19Å; Y1789-I1800 HydrophobicContact CE2-CB 4.05Å; Y1789-I1800 HydrophobicContact CE2-CG2 3.81Å; L1792-I1800 HydrophobicContact CD1-CD1 3.51Å; Q1796-I1800 WeakPolarHBondContact O-CB 3.25Å; Q1796-I1800 WeakPolarHBondContact O-CG1 3.18Å; Q1796-I1800 PolarHBondContact O-N 3.39Å; R1797-I1800 PolarHBondContact O-N 3.08Å; L1798-I1800 PolarHBondContact O-N 2.76Å; I1800-K1803 PolarHBondContact O-N 2.65Å; I1800-S1804 VanDerWaalsContact O-CB 3.24Å; I1800-S1804 WeakPolarHBondContact O-CB 3.41Å; I1800-S1804 PolarHBondContact O-N 2.9Å; I1800-S1804 PolarHBondContact O-OG 3.33Å
1801A93.5Very high91.1Very high3 Ų335.4 Ų35.43%0.02520%0.199CC..Hα-helixtrans-61.7-50176.100000111.3R1797 L1798 K1803 S1804 G1805 Q1806 I1811R1797-A1801 WeakPolarHBondContact O-CB 3.1Å; R1797-A1801 PolarHBondContact O-N 3.03Å; L1798-A1801 PolarHBondContact O-N 3.45Å; A1801-K1803 PolarHBondContact O-N 2.94Å; A1801-S1804 CarbonylContact O-C 3.49Å; A1801-S1804 WeakPolarHBondContact O-CA 3.04Å; A1801-S1804 WeakPolarHBondContact O-CB 3.29Å; A1801-S1804 PolarHBondContact O-N 2.82Å; A1801-G1805 PolarHBondContact O-N 2.91Å; A1801-G1805 VanDerWaalsContact O-N 3.13Å; A1801-Q1806 CarbonylContact C-O 3.51Å; A1801-Q1806 VanDerWaalsContact C-O 3.27Å; A1801-Q1806 WeakPolarHBondContact CB-O 3.33Å; A1801-Q1806 PolarHBondContact O-N 2.94Å; A1801-Q1806 VanDerWaalsContact O-O 3.07Å; A1801-I1811 HydrophobicContact CB-CD1 3.97Å
1802K91.5Very high91.2Very high106 Ų10635.2 Ų35.246%0.46120%0.198SC..Hα-helixtrans-57.9-47.8175-70.6173.9-178.4178.40111.7Y1143 L1798 E1799 S1804 G1805Y1143-K1802 VanDerWaalsContact CE1-NZ 3.32Å; L1798-K1802 WeakPolarHBondContact O-CB 3.5Å; L1798-K1802 WeakPolarHBondContact O-CG 3.5Å; L1798-K1802 PolarHBondContact O-N 3Å; E1799-K1802 PolarHBondContact O-N 3.01Å; K1802-S1804 PolarHBondContact O-N 2.94Å; K1802-G1805 PolarHBondContact O-N 2.75Å; K1802-G1805 VanDerWaalsContact O-N 3.17Å
1803K92.8Very high91.2Very high106 Ų10635.3 Ų35.346%0.46120%0.198SC..Hα-helixtrans-61.2-20.8172.9-74172.8-179.2167.40113.6N1747 E1799 I1800 A1801N1747-K1803 PolarHBondContact ND2-O 3.41Å; E1799-K1803 VanDerWaalsContact CD-CE 3.44Å; E1799-K1803 HydrophobicContact CG-CD 4.38Å; E1799-K1803 WeakPolarHBondContact O-CB 3.44Å; E1799-K1803 VanDerWaalsContact O-CG 3.3Å; E1799-K1803 WeakPolarHBondContact O-CG 3.37Å; E1799-K1803 PolarHBondContact O-N 3.49Å; E1799-K1803 WeakPolarHBondContact OE1-CE 3.28Å; E1799-K1803 IonicContact OE1-NZ 3.7Å; E1799-K1803 PolarHBondContact OE1-NZ 3.43Å; E1799-K1803 IonicContact OE2-NZ 3.7Å; E1799-K1803 PolarHBondContact OE2-NZ 3.05Å; I1800-K1803 PolarHBondContact O-N 2.65Å; A1801-K1803 PolarHBondContact O-N 2.94Å
1804S92.1Very high91.4Very high7 Ų735.4 Ų35.45%0.04920%0.199CC..THydrogen-bonded Turntrans-97.1-0.6179.9-53.70000113.9N1747 I1800 A1801 K1802 Q1806N1747-S1804 WeakPolarHBondContact ND2-CA 3.48Å; N1747-S1804 PolarHBondContact ND2-N 2.93Å; N1747-S1804 PolarHBondContact ND2-OG 3.31Å; I1800-S1804 VanDerWaalsContact O-CB 3.24Å; I1800-S1804 WeakPolarHBondContact O-CB 3.41Å; I1800-S1804 PolarHBondContact O-N 2.9Å; I1800-S1804 PolarHBondContact O-OG 3.33Å; A1801-S1804 CarbonylContact O-C 3.49Å; A1801-S1804 WeakPolarHBondContact O-CA 3.04Å; A1801-S1804 WeakPolarHBondContact O-CB 3.29Å; A1801-S1804 PolarHBondContact O-N 2.82Å; K1802-S1804 PolarHBondContact O-N 2.94Å; S1804-Q1806 VanDerWaalsContact C-N 3.31Å; S1804-Q1806 PolarHBondContact O-N 3.45Å; S1804-Q1806 PolarHBondContact O-NE2 3.47Å; S1804-Q1806 VanDerWaalsContact O-NE2 3.1Å
1805G92.1Very high91.6Very high73 Ų7335.2 Ų35.275%0.75320%0.198SC*.THydrogen-bonded Turntrans65.231.1-178.500000113.8A1801 K1802A1801-G1805 PolarHBondContact O-N 2.91Å; A1801-G1805 VanDerWaalsContact O-N 3.13Å; K1802-G1805 PolarHBondContact O-N 2.75Å; K1802-G1805 VanDerWaalsContact O-N 3.17Å
1806Q92.3Very high91.6Very high27 Ų2732.7 Ų32.713%0.12618%0.181CC..SBendtrans-137.4153.3-172.6-70.8166.375.300110.3R1740 A1801 S1804 I1811R1740-Q1806 VanDerWaalsContact CB-OE1 3.27Å; R1740-Q1806 HydrophobicContact CG-CG 4.46Å; R1740-Q1806 PolarHBondContact O-NE2 3.46Å; A1801-Q1806 CarbonylContact C-O 3.51Å; A1801-Q1806 VanDerWaalsContact C-O 3.27Å; A1801-Q1806 WeakPolarHBondContact CB-O 3.33Å; A1801-Q1806 PolarHBondContact O-N 2.94Å; A1801-Q1806 VanDerWaalsContact O-O 3.07Å; S1804-Q1806 VanDerWaalsContact C-N 3.31Å; S1804-Q1806 PolarHBondContact O-N 3.45Å; S1804-Q1806 PolarHBondContact O-NE2 3.47Å; S1804-Q1806 VanDerWaalsContact O-NE2 3.1Å; Q1806-I1811 HydrophobicContact CB-CD1 4.11Å; Q1806-I1811 HydrophobicContact CB-CG1 4.13Å
1807S91Very high91.6Very high50 Ų5030.5 Ų30.535%0.3517%0.171SC..  trans-75.1155.1168.760.40000111.1E1809 S1810 I1811S1807-E1809 VanDerWaalsContact C-N 3.34Å; S1807-E1809 PolarHBondContact O-N 3.4Å; S1807-S1810 PolarHBondContact O-N 2.91Å; S1807-S1810 WeakPolarHBondContact OG-CB 3.37Å; S1807-S1810 PolarHBondContact OG-N 3.06Å; S1807-I1811 PolarHBondContact O-N 3.02Å
1808L90.2Very high91.5Very high13 Ų1330.8 Ų30.87%0.06817%0.173CC..Hα-helixtrans-55.8-49.2174.2173.960.3000111Y1789 R1797 L1798 S1810 I1811 M1812Y1789-L1808 HydrophobicContact CE1-CD1 4.06Å; Y1789-L1808 VanDerWaalsContact OH-CD1 3.23Å; Y1789-L1808 WeakPolarHBondContact OH-CD1 3.34Å; R1797-L1808 HydrophobicContact CB-CD1 3.96Å; L1798-L1808 HydrophobicContact CD2-CB 4.08Å; L1798-L1808 HydrophobicContact CD2-CD2 3.87Å; L1808-S1810 VanDerWaalsContact C-N 3.32Å; L1808-S1810 PolarHBondContact O-N 2.72Å; L1808-I1811 PolarHBondContact O-N 3.37Å; L1808-I1811 VanDerWaalsContact O-N 3.14Å; L1808-M1812 HydrophobicContact CD1-CG 4.19Å; L1808-M1812 HydrophobicContact CG-CG 4.49Å; L1808-M1812 WeakPolarHBondContact O-CG 3.46Å; L1808-M1812 PolarHBondContact O-N 3.37Å; L1808-M1812 VanDerWaalsContact O-N 3.09Å
1809E87.6Confident91.3Very high76 Ų7632.2 Ų32.236%0.35518%0.18SC..Hα-helixtrans-56.9-43.1179.2-167.7-167.3-149.200111.8R1219 R1222 S1807 I1811 M1812 D1813R1219-E1809 IonicContact NH1-OE2 3.87Å; R1222-E1809 IonicContact CZ-OE1 2.65Å; R1222-E1809 IonicContact NE-OE1 3.61Å; R1222-E1809 IonicContact NH2-OE1 2.99Å; R1222-E1809 PolarHBondContact NH2-OE1 2.89Å; S1807-E1809 VanDerWaalsContact C-N 3.34Å; S1807-E1809 PolarHBondContact O-N 3.4Å; E1809-I1811 PolarHBondContact O-N 3.23Å; E1809-M1812 PolarHBondContact O-N 3.06Å; E1809-D1813 VanDerWaalsContact O-CB 3.32Å; E1809-D1813 WeakPolarHBondContact O-CB 3.47Å; E1809-D1813 PolarHBondContact O-N 3.29Å
1810S90.7Very high91Very high27 Ų2728.2 Ų28.219%0.18916%0.162CC..Hα-helixtrans-66.7-23.4-178.3-1760000113.8S1807 L1808 D1814S1807-S1810 PolarHBondContact O-N 2.91Å; S1807-S1810 WeakPolarHBondContact OG-CB 3.37Å; S1807-S1810 PolarHBondContact OG-N 3.06Å; L1808-S1810 VanDerWaalsContact C-N 3.32Å; L1808-S1810 PolarHBondContact O-N 2.72Å; S1810-D1814 PolarHBondContact O-N 3.15Å
1811I93Very high90.7Very high1 Ų129.4 Ų29.41%0.00517%0.169CC..Hα-helixtrans-82-42.4174.6-61.8172000109.5T1744 Y1789 A1801 Q1806 S1807 L1808 E1809 D1814 I1815T1744-I1811 HydrophobicContact CG2-CD1 4.06Å; T1744-I1811 HydrophobicContact CG2-CG2 4.11Å; Y1789-I1811 HydrophobicContact CD1-CG2 3.72Å; Y1789-I1811 HydrophobicContact CE1-CB 4.05Å; Y1789-I1811 HydrophobicContact CE1-CG2 3.49Å; Y1789-I1811 VanDerWaalsContact CE1-CG2 3.49Å; Y1789-I1811 HydrophobicContact CG-CG2 4.42Å; A1801-I1811 HydrophobicContact CB-CD1 3.97Å; Q1806-I1811 HydrophobicContact CB-CD1 4.11Å; Q1806-I1811 HydrophobicContact CB-CG1 4.13Å; S1807-I1811 PolarHBondContact O-N 3.02Å; L1808-I1811 PolarHBondContact O-N 3.37Å; L1808-I1811 VanDerWaalsContact O-N 3.14Å; E1809-I1811 PolarHBondContact O-N 3.23Å; I1811-D1814 PolarHBondContact O-N 3Å; I1811-I1815 HydrophobicContact CG2-CD1 4.01Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.22Å; I1811-I1815 PolarHBondContact O-N 3.43Å; I1811-I1815 VanDerWaalsContact O-N 3.1Å
1812M91.3Very high90.2Very high9 Ų929.8 Ų29.84%0.04417%0.171CC..Hα-helixtrans-61.2-44.4174.9-63.6-68-72.600111.6V1216 Y1789 L1790 L1808 E1809 D1814 I1815 A1816V1216-M1812 HydrophobicContact CG2-CE 4.12Å; Y1789-M1812 HydrophobicContact CD1-SD 4.47Å; Y1789-M1812 HydrophobicContact CE1-SD 4.29Å; L1790-M1812 HydrophobicContact CD2-CE 3.82Å; L1790-M1812 HydrophobicContact CD2-SD 3.51Å; L1790-M1812 VanDerWaalsContact CD2-SD 3.51Å; L1808-M1812 HydrophobicContact CD1-CG 4.19Å; L1808-M1812 HydrophobicContact CG-CG 4.49Å; L1808-M1812 WeakPolarHBondContact O-CG 3.46Å; L1808-M1812 PolarHBondContact O-N 3.37Å; L1808-M1812 VanDerWaalsContact O-N 3.09Å; E1809-M1812 PolarHBondContact O-N 3.06Å; M1812-D1814 PolarHBondContact O-N 3.22Å; M1812-I1815 PolarHBondContact O-N 3.35Å; M1812-A1816 WeakPolarHBondContact O-CB 3.49Å; M1812-A1816 PolarHBondContact O-N 2.96Å
1813D91Very high89.6Confident9 Ų926.5 Ų26.55%0.04816%0.158CC..Hα-helixtrans-54.2-49.4174-96.2-16.9000112R1219 E1809 I1815 A1816 E1817R1219-D1813 HydrophobicContact CB-CB 4.47Å; R1219-D1813 VanDerWaalsContact CB-OD1 3.32Å; R1219-D1813 WeakPolarHBondContact CB-OD1 3.36Å; R1219-D1813 VanDerWaalsContact CD-OD2 3.24Å; R1219-D1813 WeakPolarHBondContact CD-OD2 3.28Å; R1219-D1813 WeakPolarHBondContact CG-OD2 3.19Å; R1219-D1813 IonicContact CZ-OD2 3.47Å; R1219-D1813 PolarHBondContact N-OD1 3.26Å; R1219-D1813 IonicContact NE-OD2 3.29Å; R1219-D1813 IonicContact NH1-OD2 3.46Å; R1219-D1813 PolarHBondContact NH1-OD2 3.34Å; E1809-D1813 VanDerWaalsContact O-CB 3.32Å; E1809-D1813 WeakPolarHBondContact O-CB 3.47Å; E1809-D1813 PolarHBondContact O-N 3.29Å; D1813-I1815 VanDerWaalsContact C-N 3.35Å; D1813-A1816 PolarHBondContact O-N 3.28Å; D1813-E1817 WeakPolarHBondContact O-CB 3.06Å; D1813-E1817 PolarHBondContact O-N 3.06Å
1814D92.3Very high89.1Confident7 Ų722 Ų224%0.03714%0.139CC..Hα-helixtrans-66-38-178.5-90.4-9.5000111.4M1737 R1740 L1741 S1810 I1811 M1812 L1818M1737-D1814 HydrophobicContact CE-CB 4.05Å; M1737-D1814 VanDerWaalsContact CE-OD1 3.22Å; M1737-D1814 WeakPolarHBondContact CE-OD1 3.41Å; M1737-D1814 HydrophobicContact CG-CB 4.39Å; R1740-D1814 IonicContact CZ-OD1 3.14Å; R1740-D1814 IonicContact CZ-OD2 3.13Å; R1740-D1814 IonicContact NE-OD2 3.02Å; R1740-D1814 PolarHBondContact NE-OD2 2.81Å; R1740-D1814 IonicContact NH2-OD1 2.7Å; R1740-D1814 PolarHBondContact NH2-OD1 2.57Å; R1740-D1814 IonicContact NH2-OD2 3.93Å; R1740-D1814 PolarHBondContact NH2-OD2 2.94Å; L1741-D1814 HydrophobicContact CD2-CB 4.1Å; L1741-D1814 HydrophobicContact CG-CB 4.47Å; S1810-D1814 PolarHBondContact O-N 3.15Å; I1811-D1814 PolarHBondContact O-N 3Å; M1812-D1814 PolarHBondContact O-N 3.22Å; D1814-L1818 VanDerWaalsContact O-CG 3.3Å; D1814-L1818 WeakPolarHBondContact O-CG 3.36Å; D1814-L1818 PolarHBondContact O-N 3.42Å
1815I92.9Very high88.6Confident2 Ų221.9 Ų21.91%0.0114%0.138CC..Hα-helixtrans-70.1-44.9176.3-64.7169.7000110.6I1786 W1787 Y1789 L1790 I1811 M1812 D1813 E1817 L1818 I1819I1786-I1815 HydrophobicContact CG2-CD1 3.75Å; I1786-I1815 HydrophobicContact CG2-CG1 3.7Å; W1787-I1815 HydrophobicContact CD2-CG2 4.12Å; W1787-I1815 HydrophobicContact CE3-CG2 4.03Å; W1787-I1815 HydrophobicContact CH2-CG2 4.26Å; W1787-I1815 HydrophobicContact CZ2-CG2 4.31Å; W1787-I1815 HydrophobicContact CZ3-CG2 4.1Å; Y1789-I1815 HydrophobicContact CD1-CD1 4.09Å; L1790-I1815 HydrophobicContact CD1-CG2 3.96Å; L1790-I1815 HydrophobicContact CD2-CD1 4.24Å; L1790-I1815 HydrophobicContact CD2-CG2 4.34Å; L1790-I1815 HydrophobicContact CG-CG2 4.38Å; I1811-I1815 HydrophobicContact CG2-CD1 4.01Å; I1811-I1815 WeakPolarHBondContact O-CG1 3.22Å; I1811-I1815 PolarHBondContact O-N 3.43Å; I1811-I1815 VanDerWaalsContact O-N 3.1Å; M1812-I1815 PolarHBondContact O-N 3.35Å; D1813-I1815 VanDerWaalsContact C-N 3.35Å; I1815-E1817 PolarHBondContact O-N 2.91Å; I1815-L1818 PolarHBondContact O-N 2.79Å; I1815-L1818 VanDerWaalsContact O-N 3.14Å; I1815-I1819 HydrophobicContact CG2-CD1 4.17Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.36Å; I1815-I1819 PolarHBondContact O-N 2.99Å
1816A90.4Very high88.5Confident6 Ų619.4 Ų19.45%0.0511%0.107CC..Hα-helixtrans-61.4-43.2177.700000112.1V1216 P1218 M1812 D1813 L1818 I1819 A1820V1216-A1816 WeakPolarHBondContact O-CB 3.46Å; P1218-A1816 HydrophobicContact CG-CB 4.45Å; M1812-A1816 WeakPolarHBondContact O-CB 3.49Å; M1812-A1816 PolarHBondContact O-N 2.96Å; D1813-A1816 PolarHBondContact O-N 3.28Å; A1816-L1818 VanDerWaalsContact C-N 3.3Å; A1816-L1818 PolarHBondContact O-N 3Å; A1816-I1819 PolarHBondContact O-N 3.17Å; A1816-A1820 PolarHBondContact O-N 3.13Å
1817E89.5Confident88.3Confident14 Ų1418.9 Ų18.97%0.06511%0.106CC..Hα-helixtrans-59.1-41.1173.1-178.2173.7158.100111.7P1218 R1220 R1734 M1737 D1813 I1815 T1821P1218-E1817 HydrophobicContact CB-CB 4.42Å; R1220-E1817 IonicContact CZ-OE1 2.98Å; R1220-E1817 VanDerWaalsContact CZ-OE1 3.29Å; R1220-E1817 IonicContact CZ-OE2 2.74Å; R1220-E1817 VanDerWaalsContact NH1-CD 3.3Å; R1220-E1817 IonicContact NH1-OE1 3.46Å; R1220-E1817 PolarHBondContact NH1-OE1 3.37Å; R1220-E1817 IonicContact NH1-OE2 2.83Å; R1220-E1817 IonicContact NH2-OE1 3.66Å; R1220-E1817 PolarHBondContact NH2-OE1 2.96Å; R1220-E1817 IonicContact NH2-OE2 3.87Å; R1220-E1817 PolarHBondContact NH2-OE2 3.48Å; R1734-E1817 IonicContact CZ-OE1 3.62Å; R1734-E1817 IonicContact NH1-OE1 3.34Å; M1737-E1817 HydrophobicContact CE-CB 4.11Å; M1737-E1817 HydrophobicContact CE-CG 4.11Å; D1813-E1817 WeakPolarHBondContact O-CB 3.06Å; D1813-E1817 PolarHBondContact O-N 3.06Å; I1815-E1817 PolarHBondContact O-N 2.91Å; E1817-T1821 HydrophobicContact CG-CG2 4.29Å; E1817-T1821 WeakPolarHBondContact O-CB 3.45Å; E1817-T1821 VanDerWaalsContact O-CG2 3.29Å; E1817-T1821 WeakPolarHBondContact O-CG2 3.32Å; E1817-T1821 PolarHBondContact O-N 2.99Å; E1817-T1821 PolarHBondContact O-OG1 2.9Å
1818L90.2Very high88.1Confident7 Ų717.2 Ų17.24%0.0379%0.092CC..Hα-helixtrans-69.3-35.7176.3-70174.8000113V16 I1733 M1737 L1741 W1787 D1814 I1815 A1816 T1822V16-L1818 HydrophobicContact CG1-CD2 4.42Å; I1733-L1818 HydrophobicContact CG2-CD2 3.57Å; M1737-L1818 HydrophobicContact CE-CG 4.35Å; M1737-L1818 HydrophobicContact SD-CD1 4.39Å; M1737-L1818 HydrophobicContact SD-CD2 3.94Å; M1737-L1818 HydrophobicContact SD-CG 4.1Å; L1741-L1818 HydrophobicContact CD1-CD1 3.59Å; W1787-L1818 HydrophobicContact CH2-CB 3.71Å; W1787-L1818 HydrophobicContact CH2-CD1 4.43Å; W1787-L1818 HydrophobicContact CZ3-CB 4.46Å; W1787-L1818 HydrophobicContact CZ3-CD1 4.43Å; D1814-L1818 VanDerWaalsContact O-CG 3.3Å; D1814-L1818 WeakPolarHBondContact O-CG 3.36Å; D1814-L1818 PolarHBondContact O-N 3.42Å; I1815-L1818 PolarHBondContact O-N 2.79Å; I1815-L1818 VanDerWaalsContact O-N 3.14Å; A1816-L1818 VanDerWaalsContact C-N 3.3Å; A1816-L1818 PolarHBondContact O-N 3Å; L1818-T1822 WeakPolarHBondContact O-CB 3.37Å; L1818-T1822 WeakPolarHBondContact O-CG2 3.42Å; L1818-T1822 PolarHBondContact O-N 3.13Å; L1818-T1822 PolarHBondContact O-OG1 2.97Å
1819I88.4Confident88Confident46 Ų4617.5 Ų17.524%0.2369%0.094CC..Hα-helixtrans-59.6-60171.4-66.3167.6000109.3P1214 W1787 I1815 A1816 T1821 T1822 L1823P1214-I1819 HydrophobicContact CG-CD1 3.53Å; W1787-I1819 HydrophobicContact CH2-CG1 4.33Å; W1787-I1819 HydrophobicContact CZ2-CB 4.49Å; W1787-I1819 HydrophobicContact CZ2-CD1 4.28Å; W1787-I1819 HydrophobicContact CZ2-CG1 3.37Å; I1815-I1819 HydrophobicContact CG2-CD1 4.17Å; I1815-I1819 WeakPolarHBondContact O-CG1 3.36Å; I1815-I1819 PolarHBondContact O-N 2.99Å; A1816-I1819 PolarHBondContact O-N 3.17Å; I1819-T1821 VanDerWaalsContact C-N 3.31Å; I1819-T1821 PolarHBondContact O-N 2.92Å; I1819-T1822 PolarHBondContact O-N 3.24Å; I1819-T1822 VanDerWaalsContact O-N 3.09Å; I1819-L1823 PolarHBondContact O-N 3.01Å; I1819-L1823 VanDerWaalsContact O-N 3.16Å
1820A86.1Confident88Confident3 Ų313.8 Ų13.83%0.0258%0.077CC..Hα-helixtrans-64.8-29.8-172.700000113.9P1218 L1639 R1640 H1641 A1816 T1822P1218-A1820 HydrophobicContact CG-CB 3.42Å; P1218-A1820 VanDerWaalsContact CG-CB 3.42Å; L1639-A1820 HydrophobicContact CD1-CB 3.76Å; R1640-A1820 PolarHBondContact N-O 3.3Å; R1640-A1820 WeakPolarHBondContact O-CA 3.45Å; R1640-A1820 WeakPolarHBondContact O-CB 3.49Å; H1641-A1820 HydrophobicContact CB-CB 4.48Å; A1816-A1820 PolarHBondContact O-N 3.13Å; A1820-T1822 VanDerWaalsContact C-N 3.34Å
1821T85Confident87.9Confident26 Ų2612.9 Ų12.916%0.167%0.07CC..THydrogen-bonded Turntrans-85.4-1.9177.357.10000114.6N1637 L1639 E1817 I1819N1637-T1821 WeakPolarHBondContact CB-O 3.25Å; N1637-T1821 PolarHBondContact ND2-O 3.38Å; L1639-T1821 HydrophobicContact CB-CG2 4.37Å; L1639-T1821 HydrophobicContact CD1-CG2 3.66Å; E1817-T1821 HydrophobicContact CG-CG2 4.29Å; E1817-T1821 WeakPolarHBondContact O-CB 3.45Å; E1817-T1821 VanDerWaalsContact O-CG2 3.29Å; E1817-T1821 WeakPolarHBondContact O-CG2 3.32Å; E1817-T1821 PolarHBondContact O-N 2.99Å; E1817-T1821 PolarHBondContact O-OG1 2.9Å; I1819-T1821 VanDerWaalsContact C-N 3.31Å; I1819-T1821 PolarHBondContact O-N 2.92Å
1822T83.4Confident87.5Confident10 Ų1013.8 Ų13.86%0.0618%0.075CC..THydrogen-bonded Turntrans-130.510.2-178.665.70000114.4Y1719 R1729 L1818 I1819 A1820 H1824Y1719-T1822 PolarHBondContact OH-O 3.45Å; R1729-T1822 PolarHBondContact NH1-OG1 3.21Å; L1818-T1822 WeakPolarHBondContact O-CB 3.37Å; L1818-T1822 WeakPolarHBondContact O-CG2 3.42Å; L1818-T1822 PolarHBondContact O-N 3.13Å; L1818-T1822 PolarHBondContact O-OG1 2.97Å; I1819-T1822 PolarHBondContact O-N 3.24Å; I1819-T1822 VanDerWaalsContact O-N 3.09Å; A1820-T1822 VanDerWaalsContact C-N 3.34Å; T1822-H1824 PolarHBondContact O-N 3.5Å; T1822-H1824 VanDerWaalsContact O-N 3.1Å
1823L80.1Confident87.2Confident37 Ų3714.2 Ų14.219%0.1948%0.077CC..  trans-77.790.4175.7-177.358.4000111P1275 R1640 I1819P1275-L1823 HydrophobicContact CB-CD2 4.25Å; P1275-L1823 HydrophobicContact CG-CD1 3.59Å; P1275-L1823 HydrophobicContact CG-CD2 4.12Å; R1640-L1823 WeakPolarHBondContact CD-O 3.24Å; I1819-L1823 PolarHBondContact O-N 3.01Å; I1819-L1823 VanDerWaalsContact O-N 3.16Å
1824H81.1Confident86.9Confident11 Ų1114.6 Ų14.65%0.0518%0.079CC..  trans-126.1148.2178.3-62.6-79.9000110.9T601 V1635 A1636 R1638 T1822T601-H1824 WeakPolarHBondContact CG2-O 3.17Å; T601-H1824 PolarHBondContact OG1-O 2.92Å; V1635-H1824 HydrophobicContact CG1-CB 4.05Å; A1636-H1824 PolarHBondContact O-CE1 2.83Å; R1638-H1824 PolarHBondContact N-CE1 3.09Å; T1822-H1824 PolarHBondContact O-N 3.5Å; T1822-H1824 VanDerWaalsContact O-N 3.1Å
1825F83.3Confident86.4Confident6 Ų615.3 Ų15.33%0.0268%0.083CC..  trans68.50-171.1-41.2-71.6000111.2V572 L574 T601 S602 R604 L1633 V1635 Y1719V572-F1825 HydrophobicContact CB-CE1 4.44Å; V572-F1825 HydrophobicContact CG1-CD1 4.25Å; V572-F1825 HydrophobicContact CG1-CE1 3.78Å; V572-F1825 WeakPolarHBondContact O-CD1 3.34Å; L574-F1825 HydrophobicContact CB-CB 4.16Å; L574-F1825 HydrophobicContact CB-CD1 3.62Å; L574-F1825 HydrophobicContact CB-CD2 3.93Å; L574-F1825 HydrophobicContact CB-CE1 3.9Å; L574-F1825 HydrophobicContact CB-CE2 4.21Å; L574-F1825 HydrophobicContact CB-CG 3.62Å; L574-F1825 HydrophobicContact CB-CZ 4.19Å; L574-F1825 HydrophobicContact CD1-CD2 4.46Å; L574-F1825 HydrophobicContact CD1-CE1 4.18Å; L574-F1825 HydrophobicContact CD1-CE2 3.94Å; L574-F1825 HydrophobicContact CD1-CZ 3.78Å; L574-F1825 HydrophobicContact CD2-CD2 4.18Å; L574-F1825 HydrophobicContact CD2-CE2 4.31Å; L574-F1825 HydrophobicContact CG-CD2 4.44Å; L574-F1825 HydrophobicContact CG-CE2 4.4Å; L574-F1825 HydrophobicContact CG-CZ 4.5Å; L574-F1825 VanDerWaalsContact N-CD1 3.35Å; T601-F1825 CarbonylContact C-O 3.56Å; T601-F1825 VanDerWaalsContact CA-O 3.23Å; T601-F1825 WeakPolarHBondContact CA-O 3.31Å; T601-F1825 VanDerWaalsContact CB-O 3.29Å; T601-F1825 WeakPolarHBondContact CB-O 3.45Å; T601-F1825 PolarHBondContact N-O 3.34Å; T601-F1825 PolarHBondContact OG1-O 3.22Å; S602-F1825 PolarHBondContact N-O 3.06Å; S602-F1825 VanDerWaalsContact N-O 3.07Å; S602-F1825 PolarHBondContact OG-O 3.2Å; S602-F1825 PolarHBondContact OG-OXT 2.91Å; R604-F1825 PolarHBondContact NE-OXT 2.66Å; R604-F1825 VanDerWaalsContact NE-OXT 3.08Å; R604-F1825 PolarHBondContact NH2-OXT 2.76Å; L1633-F1825 HydrophobicContact CD2-CZ 4.17Å; V1635-F1825 HydrophobicContact CG1-CZ 4.34Å; V1635-F1825 HydrophobicContact CG2-CE2 3.99Å; V1635-F1825 HydrophobicContact CG2-CZ 3.65Å; Y1719-F1825 HydrophobicContact CD1-CE2 4.16Å; Y1719-F1825 HydrophobicContact CD2-CE2 4.37Å; Y1719-F1825 HydrophobicContact CE1-CD2 4.09Å; Y1719-F1825 AromaticContact CE1-CE2 3.86Å; Y1719-F1825 HydrophobicContact CE1-CE2 3.86Å; Y1719-F1825 HydrophobicContact CE2-CE2 4.11Å; Y1719-F1825 HydrophobicContact CG-CE2 4.42Å; Y1719-F1825 AromaticContact CZ-CE2 3.85Å

Retrieved 1,825 of 1,825 residues in 396.7 ms (Link to these results)

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