X5J4T3_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4T3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 aa.

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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
1A49.6Very low77.1Confident117 Ų11791.5 Ų91.597%0.96754%0.537SS*.  0123.8000000107.4
2E56.2Low78.2Confident98 Ų9885.3 Ų85.346%0.45850%0.5SS..  trans-96.5101.1179.4-168173.6175.700107.8M4 T105 L106E2-M4 HydrophobicContact CG-CE 4.26Å; E2-M4 HydrophobicContact CG-CG 4.49Å; E2-M4 PolarHBondContact O-N 3.04Å; E2-M4 VanDerWaalsContact O-N 3.13Å; E2-M4 VanDerWaalsContact OE1-CE 3.22Å; E2-M4 WeakPolarHBondContact OE1-CE 3.31Å; E2-T105 PolarHBondContact N-O 2.64Å; E2-L106 HydrophobicContact CB-CD2 4.38Å
3L62.9Low79.2Confident170 Ų17084.9 Ų84.989%0.8951%0.505SS*.  trans-75.4100.7179.6-84.6148.6000109.6
4M71.4Confident79.8Confident55 Ų5579.7 Ų79.727%0.27148%0.475SS..PPolyproline II helixtrans-88.9142.6-179.9-79.3-102.4148.600112E2 A8 V10 L78 L106E2-M4 HydrophobicContact CG-CE 4.26Å; E2-M4 HydrophobicContact CG-CG 4.49Å; E2-M4 PolarHBondContact O-N 3.04Å; E2-M4 VanDerWaalsContact O-N 3.13Å; E2-M4 VanDerWaalsContact OE1-CE 3.22Å; E2-M4 WeakPolarHBondContact OE1-CE 3.31Å; M4-A8 HydrophobicContact SD-CB 3.97Å; M4-V10 HydrophobicContact CE-CB 3.92Å; M4-V10 HydrophobicContact CE-CG2 3.77Å; M4-V10 HydrophobicContact CG-CB 4.47Å; M4-V10 HydrophobicContact SD-CB 3.71Å; M4-V10 HydrophobicContact SD-CG2 4.15Å; M4-L78 HydrophobicContact CB-CD1 3.72Å; M4-L78 HydrophobicContact CG-CD1 3.9Å; M4-L78 HydrophobicContact SD-CD1 3.76Å; M4-L106 HydrophobicContact CG-CD2 4.39Å
5K77.4Confident80.4Confident170 Ų17084.2 Ų84.274%0.73949%0.486SS*.PPolyproline II helixtrans-72.7143.5172.2-66.3-178.4-178179.40110.1G7 A8K5-G7 PolarHBondContact O-N 3.22Å; K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.08Å
6P82.6Confident80.6Confident118 Ų11879.3 Ų79.377%0.76646%0.458SS*.THydrogen-bonded Turntrans-52.7140.2169.4-25.334.2000111.6A8 L78P6-A8 PolarHBondContact O-N 2.74Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å
7G85.3Confident80.7Confident52 Ų5278.9 Ų78.954%0.53646%0.461SS..THydrogen-bonded Turntrans81-11.2-176.200000115K5 L78K5-G7 PolarHBondContact O-N 3.22Å; G7-L78 PolarHBondContact N-O 2.8Å
8A89.3Confident80.7Confident31 Ų3179.6 Ų79.626%0.25649%0.487SS..  trans-66.4166.1174.700000111.7M4 K5 P6 S77 L78M4-A8 HydrophobicContact SD-CB 3.97Å; K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.29Å; K5-A8 VanDerWaalsContact O-N 3.08Å; P6-A8 PolarHBondContact O-N 2.74Å; A8-S77 PolarHBondContact O-N 2.93Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.15Å; A8-L78 PolarHBondContact O-N 2.88Å
9S91.3Very high80.6Confident62 Ų6277.5 Ų77.543%0.43447%0.47SS..  trans-117.6145.1169.1-57.60000109.3L75 S76S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.88Å; S9-L75 WeakPolarHBondContact CB-O 3.09Å; S9-S76 WeakPolarHBondContact OG-CA 3.44Å
10V90Very high81Confident7 Ų777.8 Ų77.84%0.04247%0.472CS..EExtended strand (participates in β ladder)trans-130.3145.7178.865.80000110.5M4 L12 Q74 L75 L78 L106M4-V10 HydrophobicContact CE-CB 3.92Å; M4-V10 HydrophobicContact CE-CG2 3.77Å; M4-V10 HydrophobicContact CG-CB 4.47Å; M4-V10 HydrophobicContact SD-CB 3.71Å; M4-V10 HydrophobicContact SD-CG2 4.15Å; V10-L12 HydrophobicContact CG2-CD2 4.3Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.21Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.43Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 2.99Å; V10-L78 HydrophobicContact CB-CD1 4.19Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; V10-L106 HydrophobicContact CB-CD2 4.33Å; V10-L106 HydrophobicContact CG1-CD1 3.48Å; V10-L106 VanDerWaalsContact CG1-CD1 3.48Å; V10-L106 HydrophobicContact CG1-CD2 3.99Å; V10-L106 HydrophobicContact CG1-CG 4.39Å; V10-L106 HydrophobicContact CG2-CD2 3.77Å
11K91.6Very high81.3Confident126 Ų12674.2 Ų74.255%0.54845%0.45SS..EExtended strand (participates in β ladder)trans-114.8111.1175-173.9177.9179.6-179.10109.3Y72K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å
12L90.6Very high83.2Confident17 Ų1771 Ų719%0.08942%0.419CS..EExtended strand (participates in β ladder)trans-89.1144174.6-59.6177.7000109.9V10 Y72 M73 L75 Y86 T104 L106V10-L12 HydrophobicContact CG2-CD2 4.3Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 3.47Å; L12-M73 PolarHBondContact O-N 2.78Å; L12-L75 HydrophobicContact CD1-CD1 4.48Å; L12-Y86 HydrophobicContact CD1-CD1 4.36Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.8Å; L12-T104 HydrophobicContact CD2-CG2 3.69Å; L12-L106 HydrophobicContact CD1-CD1 3.83Å; L12-L106 HydrophobicContact CD2-CD1 4.05Å; L12-L106 HydrophobicContact CD2-CD2 4.07Å; L12-L106 HydrophobicContact CD2-CG 4.23Å; L12-L106 HydrophobicContact CG-CD1 4.21Å
13S90.9Very high84.8Confident81 Ų8171.3 Ų71.357%0.56642%0.423SS*.EExtended strand (participates in β ladder)trans-123149.9176.564.70000111.3A71S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 2.87Å
14C88.4Confident85.8Confident12 Ų1266.4 Ų66.48%0.08139%0.393CS..EExtended strand (participates in β ladder)trans-142.7109.3178.3168.50000108.8T70 A71 C88C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; C14-A71 HydrophobicContact CB-CB 4.23Å; C14-A71 PolarHBondContact N-O 3.35Å; C14-A71 PolarHBondContact O-N 3.07Å; C14-C88 HydrophobicContact CB-CB 3.6Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.04Å
15K88.2Confident86.7Confident147 Ų14767.1 Ų67.164%0.63939%0.393SS*.EExtended strand (participates in β ladder)trans-94.1123.9-179.6-172.6173.9-176.7179.20110.4W100K15-W100 VanDerWaalsContact O-CE3 3.29Å
16A83.6Confident87.3Confident5 Ų559.1 Ų59.14%0.04136%0.358CS..  trans-77.2146.5173.300000111.4Y19 F21 N69A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.46Å; A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.15Å; A16-N69 HydrophobicContact CB-CB 4.36Å; A16-N69 WeakPolarHBondContact CB-O 3.41Å; A16-N69 PolarHBondContact N-O 2.93Å
17S82.3Confident87.7Confident73 Ų7354.2 Ų54.251%0.5133%0.325SS..  trans-147.7164.6174.2780000110Y19 W100S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 WeakPolarHBondContact O-CE1 3.32Å; S17-Y19 PolarHBondContact O-N 2.74Å; S17-W100 WeakPolarHBondContact O-CH2 3.3Å; S17-W100 WeakPolarHBondContact O-CZ2 3.49Å; S17-W100 WeakPolarHBondContact OG-CH2 3.41Å; S17-W100 WeakPolarHBondContact OG-CZ3 3.47Å
18G81.1Confident88Confident91 Ų9152 Ų5294%0.93830%0.301SS*.SBendtrans68.90.2174.900000117.1
19Y79Confident88.1Confident41 Ų4151.4 Ų51.416%0.16129%0.294CS..SBendtrans-152.7165.8171.967.3-84.8000111.7A16 S17 F21 Y24 M26 T90 W100A16-Y19 HydrophobicContact CB-CE1 3.87Å; A16-Y19 HydrophobicContact CB-CE2 4.25Å; A16-Y19 WeakPolarHBondContact CB-OH 3.46Å; S17-Y19 WeakPolarHBondContact O-CD1 3.4Å; S17-Y19 WeakPolarHBondContact O-CE1 3.32Å; S17-Y19 PolarHBondContact O-N 2.74Å; Y19-F21 PolarHBondContact O-N 2.85Å; Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.75Å; Y19-Y24 HydrophobicContact CE2-CD2 3.75Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y19-Y24 HydrophobicContact CG-CD2 4.29Å; Y19-Y24 HydrophobicContact CG-CE2 4.29Å; Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; Y19-T90 HydrophobicContact CE2-CG2 4.16Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.4Å; Y19-W100 HydrophobicContact CD1-CH2 4.35Å; Y19-W100 AromaticContact CD1-CZ2 3.65Å; Y19-W100 HydrophobicContact CD1-CZ2 3.65Å; Y19-W100 HydrophobicContact CE1-CD2 4.11Å; Y19-W100 AromaticContact CE1-CE2 3.37Å; Y19-W100 HydrophobicContact CE1-CH2 4.05Å; Y19-W100 AromaticContact CE1-CZ2 3.33Å; Y19-W100 HydrophobicContact CE1-CZ2 3.33Å; Y19-W100 AromaticContact CE1-NE1 3.58Å
20T87.8Confident88Confident82 Ų8248.9 Ų48.950%0.50328%0.275SS..  trans-73.1105.9174-56.80000110T22 N23T20-T22 WeakPolarHBondContact CG2-OG1 3.5Å; T20-T22 PolarHBondContact O-N 2.74Å; T20-N23 WeakPolarHBondContact CG2-OD1 3.43Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.13Å
21F87.5Confident88Confident3 Ų352 Ų521%0.01329%0.289CS..G310 helixtrans-50.7-35.3-174.1-179.7-126.3000114.3A16 Y19 N23 M26 P45 V64 N69 A71A16-F21 HydrophobicContact CB-CB 4.26Å; A16-F21 HydrophobicContact CB-CD2 3.41Å; A16-F21 VanDerWaalsContact CB-CD2 3.41Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 4.15Å; Y19-F21 PolarHBondContact O-N 2.85Å; F21-N23 VanDerWaalsContact C-N 3.28Å; F21-N23 PolarHBondContact O-N 3.25Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.78Å; F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.41Å; F21-P45 HydrophobicContact CD2-CB 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.3Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; F21-V64 HydrophobicContact CE1-CB 4.2Å; F21-V64 HydrophobicContact CZ-CB 4.16Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 VanDerWaalsContact CB-OD1 3.29Å; F21-N69 WeakPolarHBondContact CB-OD1 3.26Å; F21-N69 HydrophobicContact CD1-CB 4.24Å; F21-N69 HydrophobicContact CG-CB 4.06Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 4.2Å
22T90.4Very high87.9Confident50 Ų5049.1 Ų49.131%0.30728%0.275SS..G310 helixtrans-74.7-10.8-179.153.70000114.9T20 S46 K66T20-T22 WeakPolarHBondContact CG2-OG1 3.5Å; T20-T22 PolarHBondContact O-N 2.74Å; T22-S46 WeakPolarHBondContact O-CB 3.11Å; T22-K66 HydrophobicContact CG2-CG 4.4Å
23N88.4Confident87.6Confident105 Ų10554 Ų5456%0.56131%0.307SS*.G310 helixtrans-82.8-15.4-175.9-704.1000113.4T20 F21T20-N23 WeakPolarHBondContact CG2-OD1 3.43Å; T20-N23 WeakPolarHBondContact O-CB 3.43Å; T20-N23 PolarHBondContact O-N 3.13Å; F21-N23 VanDerWaalsContact C-N 3.28Å; F21-N23 PolarHBondContact O-N 3.25Å
24Y85.5Confident87.5Confident66 Ų6654.6 Ų54.626%0.25933%0.327SS..SBendtrans-131.3143.3-171.4-57.2-83000111.6Y19 P45 I92Y19-Y24 AromaticContact CD2-CD2 3.4Å; Y19-Y24 HydrophobicContact CD2-CD2 3.4Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.4Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.49Å; Y19-Y24 AromaticContact CE2-CD2 3.75Å; Y19-Y24 HydrophobicContact CE2-CD2 3.75Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y19-Y24 HydrophobicContact CG-CD2 4.29Å; Y19-Y24 HydrophobicContact CG-CE2 4.29Å; Y24-P45 WeakPolarHBondContact O-CD 2.96Å; Y24-P45 WeakPolarHBondContact O-CG 3.34Å; Y24-I92 HydrophobicContact CD1-CG1 4.15Å; Y24-I92 HydrophobicContact CE1-CB 4.26Å; Y24-I92 HydrophobicContact CE1-CG1 3.84Å; Y24-I92 HydrophobicContact CE1-CG2 4.1Å
25W89.8Confident87.4Confident71 Ų7159.2 Ų59.227%0.26935%0.347SS..PPolyproline II helixtrans-67.1137.9168.4-70.172000109.5H27 E42 N44 R49 N51W25-H27 PolarHBondContact O-CD2 3.29Å; W25-E42 HydrophobicContact CE3-CB 4.16Å; W25-E42 HydrophobicContact CE3-CG 3.52Å; W25-E42 HydrophobicContact CZ3-CG 3.82Å; W25-N44 HydrophobicContact CD2-CB 3.7Å; W25-N44 HydrophobicContact CE3-CB 3.8Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.93Å; W25-N44 HydrophobicContact CZ2-CB 3.8Å; W25-N44 HydrophobicContact CZ3-CB 3.92Å; W25-R49 HydrophobicContact CH2-CB 4.25Å; W25-R49 HydrophobicContact CH2-CG 3.94Å; W25-R49 HydrophobicContact CZ3-CG 4.47Å; W25-N51 WeakPolarHBondContact CZ3-ND2 3.22Å
26M90.1Very high87.4Confident1 Ų155.2 Ų55.21%0.00535%0.347CS..EExtended strand (participates in β ladder)trans-98.5118.4176.5-177.461.270.400109.1Y19 F21 R28 E42 T43 P45 A71 C88 T90Y19-M26 WeakPolarHBondContact OH-CE 3.42Å; F21-M26 HydrophobicContact CD2-CE 4.34Å; F21-M26 HydrophobicContact CE2-CE 3.78Å; M26-R28 VanDerWaalsContact CG-CZ 3.45Å; M26-R28 PolarHBondContact O-NH1 2.81Å; M26-E42 CarbonylContact O-C 3.56Å; M26-E42 WeakPolarHBondContact O-CA 3.29Å; M26-E42 WeakPolarHBondContact O-CB 3.41Å; M26-T43 PolarHBondContact N-O 2.85Å; M26-T43 PolarHBondContact O-N 2.9Å; M26-P45 HydrophobicContact CB-CG 4.47Å; M26-A71 HydrophobicContact CB-CB 4.42Å; M26-A71 HydrophobicContact CE-CB 4.37Å; M26-A71 HydrophobicContact CG-CB 3.58Å; M26-A71 HydrophobicContact SD-CB 4.48Å; M26-C88 HydrophobicContact SD-CB 3.73Å; M26-T90 HydrophobicContact CE-CG2 3.89Å; M26-T90 HydrophobicContact SD-CG2 4.21Å
27H91.1Very high87.5Confident15 Ų1559.7 Ų59.77%0.06937%0.37CS..EExtended strand (participates in β ladder)trans-100143.5-178.6-62.1-100.6000110.6W25 W39 E42 C88 A89 F91W25-H27 PolarHBondContact O-CD2 3.29Å; H27-W39 AromaticContact ND1-NE1 3.47Å; H27-W39 PolarHBondContact ND1-NE1 3.47Å; H27-E42 IonicContact CE1-OE2 2.76Å; H27-E42 PolarHBondContact CE1-OE2 2.89Å; H27-E42 IonicContact ND1-OE2 3.55Å; H27-E42 IonicContact NE2-OE2 2.54Å; H27-E42 PolarHBondContact NE2-OE2 2.61Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.45Å; H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 WeakPolarHBondContact CB-O 3.36Å; H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 2.75Å; H27-F91 AromaticContact CD2-CD2 3.55Å; H27-F91 AromaticContact CD2-CE2 3.86Å; H27-F91 AromaticContact CE1-CD2 3.41Å; H27-F91 VanDerWaalsContact CE1-CD2 3.41Å; H27-F91 WeakPolarHBondContact CE1-CD2 3.49Å; H27-F91 AromaticContact CE1-CE2 3.5Å; H27-F91 VanDerWaalsContact CE1-CE2 3.5Å; H27-F91 WeakPolarHBondContact CE1-CE2 3.38Å; H27-F91 AromaticContact CG-CD2 3.95Å; H27-F91 AromaticContact CG-CE2 3.76Å; H27-F91 AromaticContact ND1-CD2 3.86Å; H27-F91 AromaticContact ND1-CE2 3.52Å; H27-F91 AromaticContact NE2-CD2 3.22Å; H27-F91 WeakPolarHBondContact NE2-CD2 3.5Å; H27-F91 AromaticContact NE2-CE2 3.74Å
28R91.5Very high87.9Confident6 Ų657.4 Ų57.42%0.02336%0.358CS..EExtended strand (participates in β ladder)trans-116.2128.4177.5-79.450.1161.6-125.5-10108.3M26 I40 G41 T43 L62 T63 Y72 M73M26-R28 VanDerWaalsContact CG-CZ 3.45Å; M26-R28 PolarHBondContact O-NH1 2.81Å; R28-I40 HydrophobicContact CB-CB 4.16Å; R28-I40 HydrophobicContact CB-CD1 4.46Å; R28-I40 WeakPolarHBondContact O-CB 3.48Å; R28-I40 PolarHBondContact O-N 3.18Å; R28-G41 PolarHBondContact N-O 2.73Å; R28-T43 PolarHBondContact NH1-OG1 2.81Å; R28-T43 VanDerWaalsContact NH1-OG1 3.16Å; R28-L62 HydrophobicContact CB-CD2 4.29Å; R28-L62 HydrophobicContact CG-CD2 3.9Å; R28-T63 PolarHBondContact NH2-O 3.47Å; R28-T63 VanDerWaalsContact NH2-O 3.07Å; R28-Y72 PolarHBondContact NH2-O 3.09Å; R28-M73 HydrophobicContact CB-SD 3.84Å; R28-M73 HydrophobicContact CG-CB 4.25Å; R28-M73 HydrophobicContact CG-SD 3.87Å
29V90.9Very high88.5Confident19 Ų1957.4 Ų57.412%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-133.3142.3-171.9-174.40000109L37 G38 Y86 Y87V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD1 4.48Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; V29-G38 CarbonylContact C-O 3.59Å; V29-G38 WeakPolarHBondContact CA-O 3.24Å; V29-Y86 CarbonylContact O-C 3.27Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; V29-Y87 PolarHBondContact N-O 3.36Å; V29-Y87 PolarHBondContact O-N 2.79Å
30K90.3Very high89.2Confident9 Ų955.5 Ų55.54%0.03932%0.322CS..EExtended strand (participates in β ladder)trans-114.4138.3175.2-179.6-179.7179.4176.60109.7G38 I40 F56 E81 D82 A84 Y86K30-G38 PolarHBondContact N-O 3.23Å; K30-G38 PolarHBondContact O-N 2.86Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.3Å; K30-F56 HydrophobicContact CD-CE1 4.19Å; K30-F56 HydrophobicContact CD-CZ 4.39Å; K30-E81 PolarHBondContact NZ-O 3.16Å; K30-D82 IonicContact NZ-OD1 3.66Å; K30-A84 HydrophobicContact CD-CB 4.02Å; K30-A84 VanDerWaalsContact CE-CB 3.43Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.03Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.8Å; K30-Y86 WeakPolarHBondContact CE-OH 3.23Å; K30-Y86 HydrophobicContact CG-CD1 4.2Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31Q88.7Confident89.5Confident71 Ų7151.6 Ų51.633%0.33230%0.298SS..EExtended strand (participates in β ladder)trans-126.9117.2172.1-172.1-18033.900110.2L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; Q31-V85 PolarHBondContact N-O 2.94Å; Q31-V85 PolarHBondContact O-N 3.2Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.59Å; Q31-Y87 HydrophobicContact CG-CE2 4.45Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y87 PolarHBondContact OE1-OH 2.65Å
32R88.8Confident89.8Confident66 Ų6653 Ų5325%0.24931%0.305CS..  trans-90.3149.5171.2-68.6-176.6-176.6151.7-6.3110G34 Q35 E81 A84R32-G34 PolarHBondContact O-N 2.9Å; R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.12Å; R32-Q35 PolarHBondContact O-N 2.77Å; R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 3.43Å; R32-E81 IonicContact NH2-OE2 3.35Å; R32-E81 PolarHBondContact NH2-OE2 2.54Å; R32-A84 HydrophobicContact CG-CB 4.01Å
33P86.1Confident90.1Very high119 Ų11950.7 Ų50.777%0.77329%0.291SS*.THydrogen-bonded Turntrans-53.1128.9172.8-2534.4000111.4Q35P33-Q35 PolarHBondContact O-N 2.87Å
34G87.8Confident90.3Very high94 Ų9446.5 Ų46.597%0.96927%0.269SS*.THydrogen-bonded Turntrans715.1-179.600000115.7R32R32-G34 PolarHBondContact O-N 2.9Å
35Q87.6Confident90.6Very high110 Ų11043.4 Ų43.451%0.51426%0.256SS..SBendtrans-116.8158.9175.7-57.2-170.8-2.900111.6R32 P33R32-Q35 HydrophobicContact CB-CB 4.05Å; R32-Q35 HydrophobicContact CB-CG 4.12Å; R32-Q35 PolarHBondContact O-N 2.77Å; P33-Q35 PolarHBondContact O-N 2.87Å
36G86.2Confident90.8Very high62 Ų6242.5 Ų42.564%0.63926%0.261SS*.  trans-68.5175.5173.400000113.4G38G36-G38 PolarHBondContact O-N 2.78Å
37L87.7Confident90.9Very high99 Ų9947.5 Ų47.552%0.51829%0.288SS..EExtended strand (participates in β ladder)trans-68.8126.6174.4-63.7178.8000110.7V29 Q31 Y87V29-L37 HydrophobicContact CG1-CB 3.77Å; V29-L37 HydrophobicContact CG1-CD1 4.48Å; V29-L37 HydrophobicContact CG1-CD2 3.93Å; V29-L37 HydrophobicContact CG1-CG 4.27Å; Q31-L37 HydrophobicContact CB-CD2 3.85Å; Q31-L37 HydrophobicContact CG-CD2 4.02Å; L37-Y87 HydrophobicContact CD2-CD2 4.33Å; L37-Y87 HydrophobicContact CD2-CE2 4.24Å
38G90.6Very high91Very high26 Ų2648.6 Ų48.627%0.26830%0.303SS..EExtended strand (participates in β ladder)trans-103.1116.1172.400000111.1V29 K30 G36V29-G38 CarbonylContact C-O 3.59Å; V29-G38 WeakPolarHBondContact CA-O 3.24Å; K30-G38 PolarHBondContact N-O 3.23Å; K30-G38 PolarHBondContact O-N 2.86Å; G36-G38 PolarHBondContact O-N 2.78Å
39W92.2Very high91.1Very high91 Ų9155.6 Ų55.635%0.34533%0.329SS..EExtended strand (participates in β ladder)trans-75127.1174.8-178.771.8000111.1H27 G41 E42 N51 N53H27-W39 AromaticContact ND1-NE1 3.47Å; H27-W39 PolarHBondContact ND1-NE1 3.47Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 3.37Å; W39-E42 HydrophobicContact CZ2-CB 4.14Å; W39-E42 HydrophobicContact CZ2-CG 3.87Å; W39-N51 HydrophobicContact CH2-CB 4.36Å; W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.47Å
40I94.3Very high91.4Very high0 Ų056.6 Ų56.60%034%0.336CS..EExtended strand (participates in β ladder)trans-93.1-44.5-179-62.1174.6000110.6R28 K30 N53 F56 A60 M73 Y86R28-I40 HydrophobicContact CB-CB 4.16Å; R28-I40 HydrophobicContact CB-CD1 4.46Å; R28-I40 WeakPolarHBondContact O-CB 3.48Å; R28-I40 PolarHBondContact O-N 3.18Å; K30-I40 HydrophobicContact CB-CD1 4.08Å; K30-I40 HydrophobicContact CB-CG1 4.3Å; I40-N53 WeakPolarHBondContact O-CB 3.05Å; I40-N53 PolarHBondContact O-N 3.13Å; I40-F56 HydrophobicContact CB-CD2 4.43Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.36Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.36Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.43Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 3.76Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41G94.8Very high91.6Very high0 Ų058.5 Ų58.50%035%0.347CS..EExtended strand (participates in β ladder)trans164.5-178.5-173.600000111.9R28 W39 N51R28-G41 PolarHBondContact N-O 2.73Å; W39-G41 VanDerWaalsContact CZ2-CA 3.45Å; W39-G41 PolarHBondContact NE1-O 3.37Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.39Å
42E93.9Very high91.9Very high32 Ų3258 Ų5815%0.1534%0.342CS..EExtended strand (participates in β ladder)trans-146.3156.5-179.965.6-178.1158.800111.6W25 M26 H27 W39 T50 N51W25-E42 HydrophobicContact CE3-CB 4.16Å; W25-E42 HydrophobicContact CE3-CG 3.52Å; W25-E42 HydrophobicContact CZ3-CG 3.82Å; M26-E42 CarbonylContact O-C 3.56Å; M26-E42 WeakPolarHBondContact O-CA 3.29Å; M26-E42 WeakPolarHBondContact O-CB 3.41Å; H27-E42 IonicContact CE1-OE2 2.76Å; H27-E42 PolarHBondContact CE1-OE2 2.89Å; H27-E42 IonicContact ND1-OE2 3.55Å; H27-E42 IonicContact NE2-OE2 2.54Å; H27-E42 PolarHBondContact NE2-OE2 2.61Å; W39-E42 HydrophobicContact CZ2-CB 4.14Å; W39-E42 HydrophobicContact CZ2-CG 3.87Å; E42-T50 CarbonylContact O-C 3.49Å; E42-T50 VanDerWaalsContact O-CA 3.26Å; E42-T50 WeakPolarHBondContact O-CA 3.23Å; E42-T50 VanDerWaalsContact O-CG2 3.26Å; E42-T50 WeakPolarHBondContact O-CG2 3Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 3.04Å; E42-N51 PolarHBondContact O-N 3.24Å; E42-N51 PolarHBondContact OE1-ND2 3.23Å
43T95.1Very high92.2Very high2 Ų257 Ų571%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-133133.2173.1-47.80000109.1M26 R28 P45 R49 T50 L62 V64M26-T43 PolarHBondContact N-O 2.85Å; M26-T43 PolarHBondContact O-N 2.9Å; R28-T43 PolarHBondContact NH1-OG1 2.81Å; R28-T43 VanDerWaalsContact NH1-OG1 3.16Å; T43-P45 VanDerWaalsContact O-CD 3.23Å; T43-P45 WeakPolarHBondContact O-CD 3.41Å; T43-R49 CarbonylContact C-O 3.55Å; T43-R49 WeakPolarHBondContact CA-O 3.22Å; T43-T50 WeakPolarHBondContact CG2-OG1 3.22Å; T43-L62 WeakPolarHBondContact OG1-CB 3.49Å; T43-V64 HydrophobicContact CG2-CB 4.47Å; T43-V64 HydrophobicContact CG2-CG1 3.68Å; T43-V64 HydrophobicContact CG2-CG2 3.94Å
44N93.3Very high92.6Very high18 Ų1857.5 Ų57.510%0.09633%0.334CS..  trans-79.7112.1168.1-173.8-26.5000109.2W25 S46 N47 G48 R49W25-N44 HydrophobicContact CD2-CB 3.7Å; W25-N44 HydrophobicContact CE3-CB 3.8Å; W25-N44 HydrophobicContact CG-CB 4.38Å; W25-N44 HydrophobicContact CH2-CB 3.93Å; W25-N44 HydrophobicContact CZ2-CB 3.8Å; W25-N44 HydrophobicContact CZ3-CB 3.92Å; N44-S46 VanDerWaalsContact CG-OG 3.28Å; N44-S46 PolarHBondContact ND2-OG 3.41Å; N44-S46 PolarHBondContact O-N 2.83Å; N44-S46 WeakPolarHBondContact OD1-CB 3.13Å; N44-S46 PolarHBondContact OD1-N 2.92Å; N44-S46 PolarHBondContact OD1-OG 2.81Å; N44-N47 WeakPolarHBondContact CB-OD1 3.39Å; N44-N47 PolarHBondContact O-N 2.95Å; N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.33Å; N44-G48 PolarHBondContact O-N 3.26Å; N44-R49 HydrophobicContact CB-CB 4.35Å; N44-R49 PolarHBondContact N-O 3.22Å
45P92.6Very high92.7Very high0 Ų061.4 Ų61.40%032%0.324CS..THydrogen-bonded Turntrans-69-19.2-177.9-16.933000113.4F21 Y24 M26 T43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.77Å; F21-P45 HydrophobicContact CD1-CG 4.41Å; F21-P45 HydrophobicContact CD2-CB 4.47Å; F21-P45 HydrophobicContact CD2-CG 4.26Å; F21-P45 HydrophobicContact CE1-CB 3.57Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.3Å; F21-P45 HydrophobicContact CE2-CG 3.95Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.49Å; F21-P45 HydrophobicContact CZ-CB 3.86Å; F21-P45 HydrophobicContact CZ-CG 3.88Å; F21-P45 WeakPolarHBondContact O-CG 3.5Å; Y24-P45 WeakPolarHBondContact O-CD 2.96Å; Y24-P45 WeakPolarHBondContact O-CG 3.34Å; M26-P45 HydrophobicContact CB-CG 4.47Å; T43-P45 VanDerWaalsContact O-CD 3.23Å; T43-P45 WeakPolarHBondContact O-CD 3.41Å; P45-V64 HydrophobicContact CB-CB 4.45Å; P45-V64 HydrophobicContact CB-CG1 4.35Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; P45-K66 WeakPolarHBondContact O-CE 3.08Å
46S92.8Very high92.8Very high52 Ų5257.7 Ų57.736%0.36431%0.306SS..THydrogen-bonded Turntrans-68.4-40.9177.969.30000113.2T22 N44 K66T22-S46 WeakPolarHBondContact O-CB 3.11Å; N44-S46 VanDerWaalsContact CG-OG 3.28Å; N44-S46 PolarHBondContact ND2-OG 3.41Å; N44-S46 PolarHBondContact O-N 2.83Å; N44-S46 WeakPolarHBondContact OD1-CB 3.13Å; N44-S46 PolarHBondContact OD1-N 2.92Å; N44-S46 PolarHBondContact OD1-OG 2.81Å; S46-K66 VanDerWaalsContact O-CE 3.26Å; S46-K66 WeakPolarHBondContact O-CE 3.08Å; S46-K66 PolarHBondContact O-NZ 2.85Å
47N93.6Very high93.1Very high106 Ų10660 Ų6057%0.56730%0.299SS*.THydrogen-bonded Turntrans-129.6-0.3-171.86320000114.2N44 R49N44-N47 WeakPolarHBondContact CB-OD1 3.39Å; N44-N47 PolarHBondContact O-N 2.95Å; N47-R49 PolarHBondContact O-N 2.92Å; N47-R49 VanDerWaalsContact OD1-CB 3.23Å; N47-R49 WeakPolarHBondContact OD1-CB 3.42Å; N47-R49 PolarHBondContact OD1-N 3.37Å
48G91.6Very high93.3Very high38 Ų3860.8 Ų60.839%0.39231%0.312SS..  trans76.32.417800000114.7N44 T50N44-G48 VanDerWaalsContact O-CA 3.3Å; N44-G48 WeakPolarHBondContact O-CA 3.33Å; N44-G48 PolarHBondContact O-N 3.26Å; G48-T50 PolarHBondContact O-N 3.43Å; G48-T50 PolarHBondContact O-OG1 3.45Å
49R95.1Very high93.4Very high153 Ų15361.6 Ų61.658%0.57731%0.308SS*.  trans-59.2130.7177.1-178.7174.7171.5-179.30.7109.6W25 T43 N44 N47W25-R49 HydrophobicContact CH2-CB 4.25Å; W25-R49 HydrophobicContact CH2-CG 3.94Å; W25-R49 HydrophobicContact CZ3-CG 4.47Å; T43-R49 CarbonylContact C-O 3.55Å; T43-R49 WeakPolarHBondContact CA-O 3.22Å; N44-R49 HydrophobicContact CB-CB 4.35Å; N44-R49 PolarHBondContact N-O 3.22Å; N47-R49 PolarHBondContact O-N 2.92Å; N47-R49 VanDerWaalsContact OD1-CB 3.23Å; N47-R49 WeakPolarHBondContact OD1-CB 3.42Å; N47-R49 PolarHBondContact OD1-N 3.37Å
50T95.4Very high93.5Very high41 Ų4157.4 Ų57.425%0.25229%0.293SS..EExtended strand (participates in β ladder)trans-125.3133.1-176.8-580000110E42 T43 G48 Y52 L62E42-T50 CarbonylContact O-C 3.49Å; E42-T50 VanDerWaalsContact O-CA 3.26Å; E42-T50 WeakPolarHBondContact O-CA 3.23Å; E42-T50 VanDerWaalsContact O-CG2 3.26Å; E42-T50 WeakPolarHBondContact O-CG2 3Å; T43-T50 WeakPolarHBondContact CG2-OG1 3.22Å; G48-T50 PolarHBondContact O-N 3.43Å; G48-T50 PolarHBondContact O-OG1 3.45Å; T50-Y52 HydrophobicContact CG2-CD2 3.92Å; T50-Y52 HydrophobicContact CG2-CE1 4.27Å; T50-Y52 HydrophobicContact CG2-CE2 3.27Å; T50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; T50-L62 HydrophobicContact CG2-CB 3.88Å; T50-L62 HydrophobicContact CG2-CD1 4.04Å; T50-L62 HydrophobicContact CG2-CG 4.36Å
51N95.4Very high93.6Very high49 Ų4960.8 Ų60.826%0.26231%0.314SS..EExtended strand (participates in β ladder)trans-114.6145.2170.7-55.1-40000108.8W25 W39 G41 E42W25-N51 WeakPolarHBondContact CZ3-ND2 3.22Å; W39-N51 HydrophobicContact CH2-CB 4.36Å; G41-N51 CarbonylContact C-O 3.53Å; G41-N51 WeakPolarHBondContact CA-O 3.39Å; E42-N51 HydrophobicContact CG-CB 3.91Å; E42-N51 PolarHBondContact N-O 3.04Å; E42-N51 PolarHBondContact O-N 3.24Å; E42-N51 PolarHBondContact OE1-ND2 3.23Å
52Y95.8Very high93.6Very high61 Ų6161.1 Ų61.124%0.23932%0.316CS..EExtended strand (participates in β ladder)trans-124150.4-177.8-71-88.8000110.6T50 K57 A60 L62T50-Y52 HydrophobicContact CG2-CD2 3.92Å; T50-Y52 HydrophobicContact CG2-CE1 4.27Å; T50-Y52 HydrophobicContact CG2-CE2 3.27Å; T50-Y52 VanDerWaalsContact CG2-CZ 3.48Å; Y52-K57 HydrophobicContact CD2-CG 4.4Å; Y52-K57 HydrophobicContact CG-CB 4.41Å; Y52-K57 HydrophobicContact CG-CG 4.18Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-L62 HydrophobicContact CD1-CD1 4.32Å; Y52-L62 HydrophobicContact CD1-CG 4.44Å; Y52-L62 HydrophobicContact CE1-CB 4.35Å; Y52-L62 HydrophobicContact CE1-CD1 3.97Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 3.35Å
53N94.8Very high93.7Very high45 Ų4562.6 Ų62.624%0.24133%0.327CS..  trans-74.7127.5154-176.7-26000108.2W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.75Å; W39-N53 HydrophobicContact CZ3-CB 3.93Å; W39-N53 VanDerWaalsContact O-CB 3.24Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.47Å; I40-N53 WeakPolarHBondContact O-CB 3.05Å; I40-N53 PolarHBondContact O-N 3.13Å; N53-K55 PolarHBondContact O-N 2.79Å; N53-K55 PolarHBondContact OD1-N 3.31Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.06Å; N53-K57 PolarHBondContact O-N 3.13Å
54E93.4Very high93.6Very high129 Ų12964.2 Ų64.260%0.60334%0.337SS*.THydrogen-bonded Turntrans-54.6-29.6-176.7-68.9-6114400112.8F56 K57E54-F56 PolarHBondContact O-N 3.4Å; E54-K57 IonicContact OE1-NZ 3.31Å; E54-K57 PolarHBondContact OE1-NZ 2.95Å; E54-K57 VanDerWaalsContact OE2-CD 3.24Å; E54-K57 WeakPolarHBondContact OE2-CD 3.32Å; E54-K57 IonicContact OE2-NZ 2.83Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å
55K90.4Very high93.7Very high176 Ų17665.9 Ų65.977%0.76535%0.346SS*.THydrogen-bonded Turntrans-62.1-25.4175.6-67.1-175.1179.5-178.50114.3N53N53-K55 PolarHBondContact O-N 2.79Å; N53-K55 PolarHBondContact OD1-N 3.31Å; N53-K55 VanDerWaalsContact OD1-N 3.13Å
56F90.4Very high93.7Very high32 Ų3271.2 Ų71.214%0.1437%0.369CS..THydrogen-bonded Turntrans-113.4-8.2-174-63.5-84.2000113.4K30 I40 N53 E54 S58 K59 A60K30-F56 HydrophobicContact CD-CE1 4.19Å; K30-F56 HydrophobicContact CD-CZ 4.39Å; I40-F56 HydrophobicContact CB-CD2 4.43Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.3Å; I40-F56 HydrophobicContact CG1-CE1 4.29Å; I40-F56 HydrophobicContact CG1-CE2 4.36Å; I40-F56 HydrophobicContact CG1-CG 4.21Å; I40-F56 HydrophobicContact CG1-CZ 4.36Å; I40-F56 HydrophobicContact CG2-CB 3.78Å; I40-F56 HydrophobicContact CG2-CD1 4.43Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; N53-F56 HydrophobicContact CB-CD2 4Å; N53-F56 PolarHBondContact O-N 3.06Å; E54-F56 PolarHBondContact O-N 3.4Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.85Å; F56-K59 PolarHBondContact O-N 2.93Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.08Å
57K91Very high93.6Very high111 Ų11173.9 Ų73.948%0.48339%0.387SS..THydrogen-bonded Turntrans-59.4-31.6-172.6-169177.9-173.1174.90114.3Y52 N53 E54Y52-K57 HydrophobicContact CD2-CG 4.4Å; Y52-K57 HydrophobicContact CG-CB 4.41Å; Y52-K57 HydrophobicContact CG-CG 4.18Å; N53-K57 PolarHBondContact O-N 3.13Å; E54-K57 IonicContact OE1-NZ 3.31Å; E54-K57 PolarHBondContact OE1-NZ 2.95Å; E54-K57 VanDerWaalsContact OE2-CD 3.24Å; E54-K57 WeakPolarHBondContact OE2-CD 3.32Å; E54-K57 IonicContact OE2-NZ 2.83Å; E54-K57 PolarHBondContact OE2-NZ 2.91Å
58S92.1Very high93.5Very high115 Ų11570.5 Ų70.580%0.80437%0.372SS*.THydrogen-bonded Turntrans-82.8-14.1176.457.20000113.9F56F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.85Å
59K92.6Very high93.5Very high43 Ų4371.8 Ų71.819%0.18737%0.37CS..THydrogen-bonded Turntrans-115.2-29.8-168.5-161.9171-165.71720113.7F56 L75 S76 T79 D82F56-K59 PolarHBondContact O-N 2.93Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; K59-S76 WeakPolarHBondContact CE-O 3.34Å; K59-S76 WeakPolarHBondContact CG-O 3.39Å; K59-S76 PolarHBondContact O-N 3.34Å; K59-S76 PolarHBondContact O-OG 3.28Å; K59-T79 PolarHBondContact NZ-OG1 2.94Å; K59-D82 WeakPolarHBondContact CE-OD1 3.23Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.26Å; K59-D82 PolarHBondContact NZ-OD1 3.18Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.76Å
60A94.9Very high93.4Very high2 Ų265 Ų652%0.01735%0.345CS..EExtended strand (participates in β ladder)trans-109.8132.1-177.200000110.6I40 Y52 F56 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; F56-A60 HydrophobicContact CB-CB 4.35Å; F56-A60 PolarHBondContact O-N 3.08Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; A60-L75 HydrophobicContact CB-CD2 3.85Å
61T96.3Very high93.2Very high72 Ų7263.1 Ų63.144%0.44233%0.334SS..EExtended strand (participates in β ladder)trans-112.4117.3168.3-58.70000108.6T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.32Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 3.16Å
62L95.8Very high93.1Very high7 Ų763.3 Ų63.34%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-99.3130.4179.5-54-175.8000110.6R28 T43 T50 Y52 M73R28-L62 HydrophobicContact CB-CD2 4.29Å; R28-L62 HydrophobicContact CG-CD2 3.9Å; T43-L62 WeakPolarHBondContact OG1-CB 3.49Å; T50-L62 HydrophobicContact CG2-CB 3.88Å; T50-L62 HydrophobicContact CG2-CD1 4.04Å; T50-L62 HydrophobicContact CG2-CG 4.36Å; Y52-L62 HydrophobicContact CD1-CD1 4.32Å; Y52-L62 HydrophobicContact CD1-CG 4.44Å; Y52-L62 HydrophobicContact CE1-CB 4.35Å; Y52-L62 HydrophobicContact CE1-CD1 3.97Å; Y52-L62 HydrophobicContact CE1-CG 3.66Å; Y52-L62 PolarHBondContact OH-N 3.35Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 3.76Å
63T95.1Very high93Very high63 Ų6360.7 Ų60.739%0.38732%0.321SS..EExtended strand (participates in β ladder)trans-139.7166.2177.554.30000111.2R28 T61 Y72R28-T63 PolarHBondContact NH2-O 3.47Å; R28-T63 VanDerWaalsContact NH2-O 3.07Å; T61-T63 HydrophobicContact CG2-CG2 4.32Å; T63-Y72 PolarHBondContact N-O 2.68Å; T63-Y72 PolarHBondContact O-N 3.44Å; T63-Y72 WeakPolarHBondContact OG1-CB 2.96Å
64V94.3Very high93Very high36 Ų3662.8 Ų62.822%0.21833%0.33CS..EExtended strand (participates in β ladder)trans-141.5142.2180-680000109.2F21 T43 P45 T70 A71F21-V64 HydrophobicContact CE1-CB 4.2Å; F21-V64 HydrophobicContact CZ-CB 4.16Å; F21-V64 HydrophobicContact CZ-CG1 4.05Å; T43-V64 HydrophobicContact CG2-CB 4.47Å; T43-V64 HydrophobicContact CG2-CG1 3.68Å; T43-V64 HydrophobicContact CG2-CG2 3.94Å; P45-V64 HydrophobicContact CB-CB 4.45Å; P45-V64 HydrophobicContact CB-CG1 4.35Å; P45-V64 HydrophobicContact CG-CG1 4.31Å; V64-T70 CarbonylContact C-O 3.49Å; V64-A71 HydrophobicContact CG1-CB 4.39Å
65D93.9Very high93Very high53 Ų5356.7 Ų56.728%0.28330%0.301SS..EExtended strand (participates in β ladder)trans-118.6109171175.37.2000108.4S67 S68 N69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.06Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.47Å; D65-S67 PolarHBondContact OD2-OG 2.76Å; D65-S68 WeakPolarHBondContact CB-OG 3.22Å; D65-S68 WeakPolarHBondContact OD2-CB 2.71Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; D65-N69 WeakPolarHBondContact O-CA 3.17Å; D65-N69 PolarHBondContact O-N 3Å; D65-N69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.92Å; D65-T70 PolarHBondContact O-N 2Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å
66K92.3Very high93.2Very high112 Ų11250.1 Ų50.149%0.48728%0.278SS..THydrogen-bonded Turntrans-66.4-32.6-179.9-66.2172173.7175.20112.1T22 P45 S46 S68 N69T22-K66 HydrophobicContact CG2-CG 4.4Å; P45-K66 WeakPolarHBondContact O-CE 3.08Å; S46-K66 VanDerWaalsContact O-CE 3.26Å; S46-K66 WeakPolarHBondContact O-CE 3.08Å; S46-K66 PolarHBondContact O-NZ 2.85Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-N69 PolarHBondContact O-N 2.8Å; K66-N69 PolarHBondContact O-OD1 3.19Å
67S91.8Very high93.2Very high108 Ų10852.3 Ų52.376%0.75530%0.296SS*.THydrogen-bonded Turntrans-69.8-36.1-174.871.10000111.8D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.06Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 3.47Å; D65-S67 PolarHBondContact OD2-OG 2.76Å
68S92.3Very high93.2Very high34 Ų3447.5 Ų47.524%0.23828%0.276CS..THydrogen-bonded Turntrans-100.93.8179.665.20000113.7D65 K66 T70D65-S68 WeakPolarHBondContact CB-OG 3.22Å; D65-S68 WeakPolarHBondContact OD2-CB 2.71Å; D65-S68 PolarHBondContact OD2-OG 3.29Å; K66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.76Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 WeakPolarHBondContact OG-CB 3.18Å; S68-T70 PolarHBondContact OG-OG1 2.88Å
69N90.7Very high93.1Very high66 Ų6645.3 Ų45.335%0.35326%0.258SS..THydrogen-bonded Turntrans4938.5-171.9-65.3-36.2000112.6A16 F21 D65 K66A16-N69 HydrophobicContact CB-CB 4.36Å; A16-N69 WeakPolarHBondContact CB-O 3.41Å; A16-N69 PolarHBondContact N-O 2.93Å; F21-N69 HydrophobicContact CB-CB 3.93Å; F21-N69 VanDerWaalsContact CB-OD1 3.29Å; F21-N69 WeakPolarHBondContact CB-OD1 3.26Å; F21-N69 HydrophobicContact CD1-CB 4.24Å; F21-N69 HydrophobicContact CG-CB 4.06Å; D65-N69 WeakPolarHBondContact O-CA 3.17Å; D65-N69 PolarHBondContact O-N 3Å; D65-N69 VanDerWaalsContact O-N 3.12Å; K66-N69 PolarHBondContact O-N 2.8Å; K66-N69 PolarHBondContact O-OD1 3.19Å
70T91.9Very high92.9Very high10 Ų1048.6 Ų48.66%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-118.6128.2-171.9-56.20000111.3C14 V64 D65 S68 Y72C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.36Å; V64-T70 CarbonylContact C-O 3.49Å; D65-T70 PolarHBondContact N-O 2.92Å; D65-T70 PolarHBondContact O-N 2Å; S68-T70 PolarHBondContact O-N 2.76Å; S68-T70 PolarHBondContact O-OG1 2.79Å; S68-T70 WeakPolarHBondContact OG-CB 3.18Å; S68-T70 PolarHBondContact OG-OG1 2.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
71A92.1Very high92.5Very high1 Ų154.4 Ų54.41%0.00831%0.313CS..EExtended strand (participates in β ladder)trans-93.3140.8170.100000110.2S13 C14 F21 M26 V64S13-A71 CarbonylContact C-O 3.57Å; S13-A71 WeakPolarHBondContact CA-O 2.87Å; C14-A71 HydrophobicContact CB-CB 4.23Å; C14-A71 PolarHBondContact N-O 3.35Å; C14-A71 PolarHBondContact O-N 3.07Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 4.2Å; M26-A71 HydrophobicContact CB-CB 4.42Å; M26-A71 HydrophobicContact CE-CB 4.37Å; M26-A71 HydrophobicContact CG-CB 3.58Å; M26-A71 HydrophobicContact SD-CB 4.48Å; V64-A71 HydrophobicContact CG1-CB 4.39Å
72Y93.4Very high92.1Very high54 Ų5451.3 Ų51.321%0.21229%0.294CS..EExtended strand (participates in β ladder)trans-124.8152.7175.8-55.2-88.4000111.5K11 L12 R28 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.43Å; K11-Y72 VanDerWaalsContact CE-CD1 3.45Å; K11-Y72 HydrophobicContact CG-CD1 4.4Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 WeakPolarHBondContact O-CA 3.49Å; R28-Y72 PolarHBondContact NH2-O 3.09Å; T63-Y72 PolarHBondContact N-O 2.68Å; T63-Y72 PolarHBondContact O-N 3.44Å; T63-Y72 WeakPolarHBondContact OG1-CB 2.96Å; D65-Y72 HydrophobicContact CB-CE2 3.9Å; T70-Y72 HydrophobicContact CG2-CD1 4.27Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.68Å; T70-Y72 HydrophobicContact CG2-CE2 3.73Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.39Å
73M94.4Very high91.8Very high6 Ų654 Ų543%0.0331%0.313CS..EExtended strand (participates in β ladder)trans-136119.8169.9175167.47200108.5L12 R28 I40 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.65Å; L12-M73 PolarHBondContact N-O 3.47Å; L12-M73 PolarHBondContact O-N 2.78Å; R28-M73 HydrophobicContact CB-SD 3.84Å; R28-M73 HydrophobicContact CG-CB 4.25Å; R28-M73 HydrophobicContact CG-SD 3.87Å; I40-M73 HydrophobicContact CD1-CE 3.76Å; I40-M73 HydrophobicContact CD1-SD 3.57Å; I40-M73 VanDerWaalsContact CD1-SD 3.57Å; I40-M73 HydrophobicContact CG2-SD 3.99Å; T61-M73 WeakPolarHBondContact O-CA 3.4Å; L62-M73 HydrophobicContact CD2-CB 3.77Å; L62-M73 HydrophobicContact CD2-CG 3.57Å; L62-M73 HydrophobicContact CD2-SD 3.76Å; M73-L75 HydrophobicContact CE-CD1 4.39Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.45Å; M73-Y86 VanDerWaalsContact CE-CD1 3.45Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.09Å
74Q94.4Very high91.5Very high88 Ų8851.1 Ų51.141%0.41130%0.296SS..EExtended strand (participates in β ladder)trans-99.1126.3171.7-175.7174.2-1.500109.1V10 A60 T61V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.27Å; V10-Q74 WeakPolarHBondContact O-CA 3.21Å; A60-Q74 CarbonylContact C-O 3.57Å; A60-Q74 WeakPolarHBondContact CA-O 3.45Å; T61-Q74 PolarHBondContact N-O 2.94Å; T61-Q74 PolarHBondContact O-N 3.16Å
75L93.4Very high91.2Very high2 Ų251.1 Ų51.11%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-105.5127.9171.6-64.7170.2000108.3S9 V10 L12 K59 A60 M73 L78 Y86 L106S9-L75 CarbonylContact C-O 3.48Å; S9-L75 WeakPolarHBondContact CA-O 2.88Å; S9-L75 WeakPolarHBondContact CB-O 3.09Å; V10-L75 HydrophobicContact CG1-CB 4.07Å; V10-L75 HydrophobicContact CG1-CD1 4.43Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 2.99Å; L12-L75 HydrophobicContact CD1-CD1 4.48Å; K59-L75 WeakPolarHBondContact O-CA 3.35Å; A60-L75 HydrophobicContact CB-CD2 3.85Å; M73-L75 HydrophobicContact CE-CD1 4.39Å; M73-L75 HydrophobicContact CG-CD2 4.41Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.34Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.21Å; L75-L106 HydrophobicContact CD1-CD1 3.91Å
76S93.3Very high91Very high38 Ų3849.1 Ų49.127%0.26629%0.285SS..  trans-103.7155.9177.255.90000111.9S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.44Å; K59-S76 WeakPolarHBondContact CE-O 3.34Å; K59-S76 WeakPolarHBondContact CG-O 3.39Å; K59-S76 PolarHBondContact O-N 3.34Å; K59-S76 PolarHBondContact O-OG 3.28Å; S76-L78 PolarHBondContact O-N 2.93Å
77S92.3Very high90.8Very high77 Ų7745.7 Ų45.754%0.53827%0.269SS..SBendtrans50.455.5172.4-57.60000112.7A8A8-S77 PolarHBondContact O-N 2.93Å
78L90.6Very high90.6Very high11 Ų1141 Ų416%0.05824%0.236CC..  trans-58.3138.1-175.3-69.8172.7000112M4 P6 G7 A8 V10 L75 S76 D82M4-L78 HydrophobicContact CB-CD1 3.72Å; M4-L78 HydrophobicContact CG-CD1 3.9Å; M4-L78 HydrophobicContact SD-CD1 3.76Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å; G7-L78 PolarHBondContact N-O 2.8Å; A8-L78 WeakPolarHBondContact O-CB 3.27Å; A8-L78 WeakPolarHBondContact O-CG 3.15Å; A8-L78 PolarHBondContact O-N 2.88Å; V10-L78 HydrophobicContact CB-CD1 4.19Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-L78 HydrophobicContact CG1-CD2 4.31Å; L75-L78 HydrophobicContact CB-CD2 3.81Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 PolarHBondContact O-N 2.93Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.75Å
79T90.3Very high90.2Very high68 Ų6839.8 Ų39.842%0.41723%0.228SC..  trans-123169.3174.262.80000109.9K59 E81 D82K59-T79 PolarHBondContact NZ-OG1 2.94Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.13Å; T79-D82 PolarHBondContact N-OD2 3.26Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 3.31Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å
80S86.7Confident89.7Confident112 Ų11236.8 Ų36.878%0.78321%0.212SC*.G310 helixtrans-55.9-30.1175.852.10000112.6D82 S83S80-D82 PolarHBondContact O-N 3.05Å; S80-S83 PolarHBondContact O-N 3.21Å
81E86.9Confident88.5Confident124 Ų12441.4 Ų41.458%0.57923%0.232SC*.G310 helixtrans-63.7-19.7173.7-81.3-167-141.700114.2K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 3.16Å; R32-E81 PolarHBondContact NE-O 2.83Å; R32-E81 PolarHBondContact NH2-O 3.43Å; R32-E81 IonicContact NH2-OE2 3.35Å; R32-E81 PolarHBondContact NH2-OE2 2.54Å; T79-E81 PolarHBondContact O-N 2.84Å; T79-E81 VanDerWaalsContact O-N 3.13Å; E81-S83 VanDerWaalsContact C-N 3.34Å
82D88.8Confident87Confident8 Ų843.7 Ų43.74%0.04324%0.243CC..G310 helixtrans-83.5-11.4177.1-57.1-45.7000113.9K30 K59 L78 T79 S80 A84 Y86K30-D82 IonicContact NZ-OD1 3.66Å; K59-D82 WeakPolarHBondContact CE-OD1 3.23Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 3.26Å; K59-D82 PolarHBondContact NZ-OD1 3.18Å; K59-D82 IonicContact NZ-OD2 2.87Å; K59-D82 PolarHBondContact NZ-OD2 2.76Å; L78-D82 VanDerWaalsContact CA-OD2 3.29Å; L78-D82 WeakPolarHBondContact CA-OD2 3.34Å; L78-D82 HydrophobicContact CD2-CB 3.75Å; T79-D82 PolarHBondContact N-OD2 3.26Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 3.31Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; S80-D82 PolarHBondContact O-N 3.05Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.09Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.97Å
83S88.9Confident85Confident63 Ų6347.2 Ų47.244%0.44128%0.276SS..  trans-66.3115.1177.4-170.40000110.2S80 E81 L106S80-S83 PolarHBondContact O-N 3.21Å; E81-S83 VanDerWaalsContact C-N 3.34Å; S83-L106 VanDerWaalsContact CA-O 3.26Å; S83-L106 WeakPolarHBondContact CA-O 3.26Å; S83-L106 WeakPolarHBondContact CB-O 2.76Å; S83-L106 PolarHBondContact OG-O 2.74Å
84A89.5Confident82.7Confident3 Ų351.2 Ų51.23%0.02530%0.301CS..SBendtrans-171167.7-169.500000109.4K30 Q31 R32 D82 Y86 L106K30-A84 HydrophobicContact CD-CB 4.02Å; K30-A84 VanDerWaalsContact CE-CB 3.43Å; K30-A84 HydrophobicContact CG-CB 3.42Å; K30-A84 VanDerWaalsContact CG-CB 3.42Å; Q31-A84 WeakPolarHBondContact O-CA 3.35Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; R32-A84 HydrophobicContact CG-CB 4.01Å; D82-A84 PolarHBondContact O-N 2.98Å; D82-A84 VanDerWaalsContact O-N 3.09Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; A84-L106 PolarHBondContact N-O 2.83Å; A84-L106 PolarHBondContact O-N 3.33Å
85V88.4Confident80.3Confident36 Ų3653.8 Ų53.822%0.21832%0.316CS..EExtended strand (participates in β ladder)trans-90.5131.9163.9-166.50000108.4Q31 Y87Q31-V85 PolarHBondContact N-O 2.94Å; Q31-V85 PolarHBondContact O-N 3.2Å; V85-Y87 HydrophobicContact CB-CE1 4.13Å; V85-Y87 HydrophobicContact CB-CE2 4.39Å; V85-Y87 HydrophobicContact CG1-CD1 4.17Å; V85-Y87 HydrophobicContact CG1-CE1 3.26Å; V85-Y87 HydrophobicContact CG1-CE2 4.35Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.43Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.04Å
86Y89.4Confident78Confident11 Ų1161.2 Ų61.24%0.04335%0.345CS..EExtended strand (participates in β ladder)trans-108135.6177.9-67.5-93.5000110.4L12 V29 K30 I40 M73 L75 D82 A84 G103 T104 L106L12-Y86 HydrophobicContact CD1-CD1 4.36Å; L12-Y86 HydrophobicContact CD1-CD2 4.13Å; L12-Y86 HydrophobicContact CD1-CG 3.8Å; V29-Y86 CarbonylContact O-C 3.27Å; V29-Y86 WeakPolarHBondContact O-CA 3.26Å; K30-Y86 HydrophobicContact CB-CD1 4.03Å; K30-Y86 HydrophobicContact CB-CE1 3.85Å; K30-Y86 HydrophobicContact CD-CE1 3.8Å; K30-Y86 WeakPolarHBondContact CE-OH 3.23Å; K30-Y86 HydrophobicContact CG-CD1 4.2Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.78Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; M73-Y86 HydrophobicContact CE-CD1 3.45Å; M73-Y86 VanDerWaalsContact CE-CD1 3.45Å; M73-Y86 HydrophobicContact CE-CE1 4.1Å; M73-Y86 HydrophobicContact CE-CG 4.09Å; L75-Y86 HydrophobicContact CD1-CD1 4.34Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.21Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.97Å; A84-Y86 HydrophobicContact CB-CD2 4.44Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; Y86-G103 VanDerWaalsContact O-CA 3.23Å; Y86-G103 WeakPolarHBondContact O-CA 3.41Å; Y86-T104 PolarHBondContact N-O 3.48Å; Y86-T104 PolarHBondContact O-N 2.59Å; Y86-L106 HydrophobicContact CD2-CB 4.48Å; Y86-L106 HydrophobicContact CD2-CD1 3.79Å; Y86-L106 HydrophobicContact CD2-CG 4.2Å; Y86-L106 HydrophobicContact CE2-CB 4.15Å; Y86-L106 HydrophobicContact CE2-CD1 3.64Å; Y86-L106 HydrophobicContact CE2-CG 4.22Å
87Y87Confident75.8Confident39 Ų3965.2 Ų65.215%0.15336%0.357CS..EExtended strand (participates in β ladder)trans-122.8149.8-178.5-52.5-59.4000110.8V29 Q31 L37 V85 Y99V29-Y87 PolarHBondContact N-O 3.36Å; V29-Y87 PolarHBondContact O-N 2.79Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.59Å; Q31-Y87 HydrophobicContact CG-CE2 4.45Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.27Å; Q31-Y87 PolarHBondContact OE1-OH 2.65Å; L37-Y87 HydrophobicContact CD2-CD2 4.33Å; L37-Y87 HydrophobicContact CD2-CE2 4.24Å; V85-Y87 HydrophobicContact CB-CE1 4.13Å; V85-Y87 HydrophobicContact CB-CE2 4.39Å; V85-Y87 HydrophobicContact CG1-CD1 4.17Å; V85-Y87 HydrophobicContact CG1-CE1 3.26Å; V85-Y87 HydrophobicContact CG1-CE2 4.35Å; V85-Y87 VanDerWaalsContact CG1-CZ 3.43Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.04Å; Y87-Y99 HydrophobicContact CD1-CD2 4.47Å; Y87-Y99 AromaticContact CD1-CE2 3.49Å; Y87-Y99 HydrophobicContact CD1-CE2 3.49Å; Y87-Y99 VanDerWaalsContact CD1-CE2 3.49Å; Y87-Y99 AromaticContact CD1-CZ 3.59Å; Y87-Y99 WeakPolarHBondContact CD1-OH 3.47Å; Y87-Y99 AromaticContact CE1-CE2 3.54Å; Y87-Y99 HydrophobicContact CE1-CE2 3.54Å; Y87-Y99 AromaticContact CE1-CZ 3.45Å; Y87-Y99 VanDerWaalsContact CE1-CZ 3.45Å; Y87-Y99 WeakPolarHBondContact CE1-OH 3.48Å; Y87-Y99 HydrophobicContact CG-CE2 4.18Å
88C88.2Confident73.6Confident11 Ų1164.1 Ų64.17%0.07435%0.345CS..EExtended strand (participates in β ladder)trans-108147.4158.956.40000109.9C14 M26 H27 W100C14-C88 HydrophobicContact CB-CB 3.6Å; C14-C88 WeakPolarHBondContact CB-SG 3.49Å; C14-C88 WeakPolarHBondContact SG-CB 3.29Å; C14-C88 CovalentContact SG-SG 2Å; C14-C88 PolarHBondContact SG-SG 3.04Å; M26-C88 HydrophobicContact SD-CB 3.73Å; H27-C88 CarbonylContact O-C 3.51Å; H27-C88 WeakPolarHBondContact O-CA 3.45Å; C88-W100 WeakPolarHBondContact SG-CB 3.33Å; C88-W100 PolarHBondContact SG-O 3.25Å
89A84.1Confident71.7Confident8 Ų870.2 Ų70.27%0.06637%0.369CS..EExtended strand (participates in β ladder)trans-144151.8-17900000110.3H27H27-A89 HydrophobicContact CB-CB 4.41Å; H27-A89 WeakPolarHBondContact CB-O 3.36Å; H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 2.75Å
90T79.1Confident69.7Low2 Ų269 Ų691%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-117135.2168.5490000109Y19 M26 I92Y19-T90 HydrophobicContact CE2-CG2 4.16Å; Y19-T90 WeakPolarHBondContact OH-CG2 3.4Å; M26-T90 HydrophobicContact CE-CG2 3.89Å; M26-T90 HydrophobicContact SD-CG2 4.21Å; T90-I92 PolarHBondContact O-N 3.42Å
91F67.7Low67.9Low108 Ų10865.7 Ų65.747%0.47434%0.34SS..EExtended strand (participates in β ladder)trans-88.3105.7167.5-70.3-67.9000109.3H27 F97H27-F91 AromaticContact CD2-CD2 3.55Å; H27-F91 AromaticContact CD2-CE2 3.86Å; H27-F91 AromaticContact CE1-CD2 3.41Å; H27-F91 VanDerWaalsContact CE1-CD2 3.41Å; H27-F91 WeakPolarHBondContact CE1-CD2 3.49Å; H27-F91 AromaticContact CE1-CE2 3.5Å; H27-F91 VanDerWaalsContact CE1-CE2 3.5Å; H27-F91 WeakPolarHBondContact CE1-CE2 3.38Å; H27-F91 AromaticContact CG-CD2 3.95Å; H27-F91 AromaticContact CG-CE2 3.76Å; H27-F91 AromaticContact ND1-CD2 3.86Å; H27-F91 AromaticContact ND1-CE2 3.52Å; H27-F91 AromaticContact NE2-CD2 3.22Å; H27-F91 WeakPolarHBondContact NE2-CD2 3.5Å; H27-F91 AromaticContact NE2-CE2 3.74Å; F91-F97 HydrophobicContact CE1-CE1 4.38Å
92I59.3Low66.3Low48 Ų4868.8 Ų68.825%0.24636%0.355CS..  trans-87.4150159.9-47.7-177000106Y24 T90 T94 D98Y24-I92 HydrophobicContact CD1-CG1 4.15Å; Y24-I92 HydrophobicContact CE1-CB 4.26Å; Y24-I92 HydrophobicContact CE1-CG1 3.84Å; Y24-I92 HydrophobicContact CE1-CG2 4.1Å; T90-I92 PolarHBondContact O-N 3.42Å; I92-T94 CarbonylContact C-O 3.6Å; I92-T94 CarbonylContact O-C 3.53Å; I92-T94 VanDerWaalsContact O-C 3.27Å; I92-T94 PolarHBondContact O-N 2.59Å; I92-D98 WeakPolarHBondContact CD1-OD2 3.4Å
93S52.6Low64.7Low129 Ų12969.4 Ų69.490%0.90236%0.363SS*.SBendtrans-53.3-2.2-168.252.90000118
94T46.1Very low63.5Low90 Ų9068.9 Ų68.955%0.55236%0.358SS*.SBendtrans-128.6133.9166.89.70000105.4I92 Y96I92-T94 CarbonylContact C-O 3.6Å; I92-T94 CarbonylContact O-C 3.53Å; I92-T94 VanDerWaalsContact O-C 3.27Å; I92-T94 PolarHBondContact O-N 2.59Å; T94-Y96 PolarHBondContact O-N 3.48Å
95I44.7Very low62.4Low142 Ų14271.7 Ų71.773%0.72838%0.375SS*.  trans-58.649.7-167.9-36.3171.8000114.2F97I95-F97 HydrophobicContact CG2-CD2 4.24Å; I95-F97 HydrophobicContact CG2-CE2 3.79Å; I95-F97 HydrophobicContact CG2-CZ 4.39Å; I95-F97 PolarHBondContact O-N 2.91Å
96Y44.2Very low61.2Low157 Ų15771.1 Ų71.162%0.61637%0.37SS*.  trans-7699163.9-79.2-87.9000105T94 D98T94-Y96 PolarHBondContact O-N 3.48Å; Y96-D98 PolarHBondContact O-N 2.82Å
97F46.2Very low59.8Low122 Ų12274.1 Ų74.154%0.53539%0.386SS..EExtended strand (participates in β ladder)trans-62.880.3152.6-67.2-83.9000106F91 I95 Y99F91-F97 HydrophobicContact CE1-CE1 4.38Å; I95-F97 HydrophobicContact CG2-CD2 4.24Å; I95-F97 HydrophobicContact CG2-CE2 3.79Å; I95-F97 HydrophobicContact CG2-CZ 4.39Å; I95-F97 PolarHBondContact O-N 2.91Å; F97-Y99 VanDerWaalsContact C-N 3.31Å; F97-Y99 PolarHBondContact O-N 3.26Å
98D47Very low58.3Low54 Ų5475.9 Ų75.929%0.28940%0.399SS..EExtended strand (participates in β ladder)trans-62.2106.8165.4-81.1-33.1000105.2I92 Y96 W100I92-D98 WeakPolarHBondContact CD1-OD2 3.4Å; Y96-D98 PolarHBondContact O-N 2.82Å; D98-W100 VanDerWaalsContact C-N 3.29Å; D98-W100 PolarHBondContact O-N 3.32Å
99Y50.8Low56.7Low139 Ų13979.6 Ų79.655%0.54542%0.417SS..EExtended strand (participates in β ladder)trans-7590.2-175.4-168.3-92.5000107.2Y87 F97 G101Y87-Y99 HydrophobicContact CD1-CD2 4.47Å; Y87-Y99 AromaticContact CD1-CE2 3.49Å; Y87-Y99 HydrophobicContact CD1-CE2 3.49Å; Y87-Y99 VanDerWaalsContact CD1-CE2 3.49Å; Y87-Y99 AromaticContact CD1-CZ 3.59Å; Y87-Y99 WeakPolarHBondContact CD1-OH 3.47Å; Y87-Y99 AromaticContact CE1-CE2 3.54Å; Y87-Y99 HydrophobicContact CE1-CE2 3.54Å; Y87-Y99 AromaticContact CE1-CZ 3.45Å; Y87-Y99 VanDerWaalsContact CE1-CZ 3.45Å; Y87-Y99 WeakPolarHBondContact CE1-OH 3.48Å; Y87-Y99 HydrophobicContact CG-CE2 4.18Å; F97-Y99 VanDerWaalsContact C-N 3.31Å; F97-Y99 PolarHBondContact O-N 3.26Å; Y99-G101 WeakPolarHBondContact CD1-O 3.37Å; Y99-G101 WeakPolarHBondContact CE1-O 3.46Å; Y99-G101 PolarHBondContact O-N 3.03Å
100W47.9Very low55.1Low42 Ų4283.8 Ų83.816%0.15944%0.437CS..EExtended strand (participates in β ladder)trans-79.8114.4177.1-75.394.4000108.4K15 S17 Y19 C88 D98K15-W100 VanDerWaalsContact O-CE3 3.29Å; S17-W100 WeakPolarHBondContact O-CH2 3.3Å; S17-W100 WeakPolarHBondContact O-CZ2 3.49Å; S17-W100 WeakPolarHBondContact OG-CH2 3.41Å; S17-W100 WeakPolarHBondContact OG-CZ3 3.47Å; Y19-W100 HydrophobicContact CD1-CH2 4.35Å; Y19-W100 AromaticContact CD1-CZ2 3.65Å; Y19-W100 HydrophobicContact CD1-CZ2 3.65Å; Y19-W100 HydrophobicContact CE1-CD2 4.11Å; Y19-W100 AromaticContact CE1-CE2 3.37Å; Y19-W100 HydrophobicContact CE1-CH2 4.05Å; Y19-W100 AromaticContact CE1-CZ2 3.33Å; Y19-W100 HydrophobicContact CE1-CZ2 3.33Å; Y19-W100 AromaticContact CE1-NE1 3.58Å; C88-W100 WeakPolarHBondContact SG-CB 3.33Å; C88-W100 PolarHBondContact SG-O 3.25Å; D98-W100 VanDerWaalsContact C-N 3.29Å; D98-W100 PolarHBondContact O-N 3.32Å
101G49.8Very low53.6Low43 Ų4388.9 Ų88.944%0.44346%0.464SS..EExtended strand (participates in β ladder)trans83.8134.7174.700000114.6Y99 G103Y99-G101 WeakPolarHBondContact CD1-O 3.37Å; Y99-G101 WeakPolarHBondContact CE1-O 3.46Å; Y99-G101 PolarHBondContact O-N 3.03Å; G101-G103 PolarHBondContact O-N 3.12Å
102Q52.1Low52.6Low189 Ų18987.6 Ų87.688%0.88346%0.463SS*.EExtended strand (participates in β ladder)trans-58105.7161.9-72.3-179.3-1000106.9T104Q102-T104 PolarHBondContact O-N 2.9Å
103G55.6Low52.1Low22 Ų2290.4 Ų90.423%0.22748%0.479CS..EExtended strand (participates in β ladder)trans-48.8136.6-172.200000112.2Y86 G101 T105Y86-G103 VanDerWaalsContact O-CA 3.23Å; Y86-G103 WeakPolarHBondContact O-CA 3.41Å; G101-G103 PolarHBondContact O-N 3.12Å; G103-T105 PolarHBondContact O-N 3.47Å
104T64.1Low52.1Low52 Ų5287.5 Ų87.532%0.31945%0.446SS..EExtended strand (participates in β ladder)trans-81.9120.3178.7-57.40000108.8L12 Y86 Q102 L106L12-T104 HydrophobicContact CD2-CG2 3.69Å; Y86-T104 PolarHBondContact N-O 3.48Å; Y86-T104 PolarHBondContact O-N 2.59Å; Q102-T104 PolarHBondContact O-N 2.9Å; T104-L106 HydrophobicContact CG2-CD2 4.24Å
105T66.9Low52.6Low62 Ų6287.3 Ų87.338%0.3844%0.437SS..EExtended strand (participates in β ladder)trans-80.6121167.9-44.30000109.4E2 G103E2-T105 PolarHBondContact N-O 2.64Å; G103-T105 PolarHBondContact O-N 3.47Å
106L62.1Low53.3Low23 Ų2382.3 Ų82.312%0.1241%0.411CS..  trans-104.20171.6-64.8175.3000111.4E2 M4 V10 L12 L75 S83 A84 Y86 T104E2-L106 HydrophobicContact CB-CD2 4.38Å; M4-L106 HydrophobicContact CG-CD2 4.39Å; V10-L106 HydrophobicContact CB-CD2 4.33Å; V10-L106 HydrophobicContact CG1-CD1 3.48Å; V10-L106 VanDerWaalsContact CG1-CD1 3.48Å; V10-L106 HydrophobicContact CG1-CD2 3.99Å; V10-L106 HydrophobicContact CG1-CG 4.39Å; V10-L106 HydrophobicContact CG2-CD2 3.77Å; L12-L106 HydrophobicContact CD1-CD1 3.83Å; L12-L106 HydrophobicContact CD2-CD1 4.05Å; L12-L106 HydrophobicContact CD2-CD2 4.07Å; L12-L106 HydrophobicContact CD2-CG 4.23Å; L12-L106 HydrophobicContact CG-CD1 4.21Å; L75-L106 HydrophobicContact CD1-CD1 3.91Å; S83-L106 VanDerWaalsContact CA-O 3.26Å; S83-L106 WeakPolarHBondContact CA-O 3.26Å; S83-L106 WeakPolarHBondContact CB-O 2.76Å; S83-L106 PolarHBondContact OG-O 2.74Å; A84-L106 PolarHBondContact N-O 2.83Å; A84-L106 PolarHBondContact O-N 3.33Å; Y86-L106 HydrophobicContact CD2-CB 4.48Å; Y86-L106 HydrophobicContact CD2-CD1 3.79Å; Y86-L106 HydrophobicContact CD2-CG 4.2Å; Y86-L106 HydrophobicContact CE2-CB 4.15Å; Y86-L106 HydrophobicContact CE2-CD1 3.64Å; Y86-L106 HydrophobicContact CE2-CG 4.22Å; T104-L106 HydrophobicContact CG2-CD2 4.24Å

Retrieved 106 of 106 residues in 25.2 ms (Link to these results)

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