X5J539_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J539, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 108 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
1P63.4Low84.5Confident141 Ų14190.7 Ų90.792%0.91653%0.525SS*.  0119.702.618.8000109.8L107P1-L107 CarbonylContact C-O 3.46Å; P1-L107 WeakPolarHBondContact CA-O 3.13Å; P1-L107 HydrophobicContact CB-CB 4.39Å; P1-L107 HydrophobicContact CB-CD2 4.45Å
2E76.4Confident85.4Confident79 Ų7983.8 Ų83.837%0.36948%0.484SS..  trans-108.6121.2179.2-170.3170.7175.400108.8V10 L107 V108E2-V10 WeakPolarHBondContact OE2-CG1 3.28Å; E2-L107 PolarHBondContact N-O 2.86Å; E2-V108 HydrophobicContact CB-CG2 4.42Å; E2-V108 WeakPolarHBondContact O-CA 3.45Å; E2-V108 VanDerWaalsContact O-OXT 3.1Å
3L79.5Confident86.2Confident175 Ų17583.2 Ų83.292%0.91649%0.488SS*.  trans-96.2116.9177.7-71.4171.3000109.2
4V83.3Confident86.8Confident46 Ų4678 Ų7828%0.27946%0.458SS..  trans-114.5145.6-178.8-119.20000112.7A8 V10 M78 V108V4-A8 HydrophobicContact CG1-CB 4.02Å; V4-V10 HydrophobicContact CB-CG2 3.8Å; V4-V10 HydrophobicContact CG1-CG2 3.23Å; V4-V10 HydrophobicContact CG2-CG2 3.31Å; V4-M78 HydrophobicContact CG2-CE 4.5Å; V4-V108 HydrophobicContact CG2-CG1 3.46Å; V4-V108 VanDerWaalsContact CG2-CG1 3.46Å
5K83.6Confident87.3Confident171 Ų17183.7 Ų83.774%0.74348%0.475SS*.  trans-72.3142.2170.8-65.4-178.5-178.5178.60110G7 A8K5-G7 PolarHBondContact O-N 3.43Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.39Å; K5-A8 PolarHBondContact O-N 2.94Å; K5-A8 VanDerWaalsContact O-N 3.12Å
6P85.1Confident87.5Confident117 Ų11779.3 Ų79.376%0.7645%0.451SS*.THydrogen-bonded Turntrans-53138.1170.6-25.734.3000111.6A8 M78P6-A8 VanDerWaalsContact C-N 3.27Å; P6-A8 PolarHBondContact O-N 3.34Å; P6-M78 CarbonylContact C-O 3.58Å; P6-M78 WeakPolarHBondContact CA-O 3.23Å
7G86.4Confident87.6Confident53 Ų5380.9 Ų80.955%0.54647%0.468SS..THydrogen-bonded Turntrans84.2-13.5-177.600000115.1K5 M78K5-G7 PolarHBondContact O-N 3.43Å; G7-M78 PolarHBondContact N-O 3.3Å
8A90.7Very high87.7Confident36 Ų3681.2 Ų81.230%0.29849%0.492SS..  trans-72.2161.5174.100000111.6V4 K5 P6 R77 M78V4-A8 HydrophobicContact CG1-CB 4.02Å; K5-A8 VanDerWaalsContact O-CB 3.23Å; K5-A8 WeakPolarHBondContact O-CB 3.39Å; K5-A8 PolarHBondContact O-N 2.94Å; K5-A8 VanDerWaalsContact O-N 3.12Å; P6-A8 VanDerWaalsContact C-N 3.27Å; P6-A8 PolarHBondContact O-N 3.34Å; A8-R77 PolarHBondContact O-N 3Å; A8-M78 WeakPolarHBondContact O-CB 3.23Å; A8-M78 WeakPolarHBondContact O-CG 3.42Å; A8-M78 PolarHBondContact O-N 3.09Å
9S93.1Very high87.6Confident63 Ų6379.8 Ų79.844%0.44148%0.477SS..  trans-96.9145.5167.3-58.90000110.2L75S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å
10V93.7Very high87.8Confident1 Ų179.8 Ų79.81%0.00648%0.477CS..EExtended strand (participates in β ladder)trans-117.9137.1171.9171.80000109.6E2 V4 E74 L75 M78 V108E2-V10 WeakPolarHBondContact OE2-CG1 3.28Å; V4-V10 HydrophobicContact CB-CG2 3.8Å; V4-V10 HydrophobicContact CG1-CG2 3.23Å; V4-V10 HydrophobicContact CG2-CG2 3.31Å; V10-E74 CarbonylContact O-C 3.55Å; V10-E74 VanDerWaalsContact O-CA 3.24Å; V10-E74 WeakPolarHBondContact O-CA 3.41Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 3.44Å; V10-M78 HydrophobicContact CG2-CG 4.11Å; V10-V108 HydrophobicContact CB-CG1 4.39Å; V10-V108 HydrophobicContact CG1-CG1 4.13Å; V10-V108 HydrophobicContact CG1-CG2 4.46Å; V10-V108 HydrophobicContact CG2-CG1 3.92Å
11K94.8Very high88Confident116 Ų11676.3 Ų76.350%0.50446%0.456SS..EExtended strand (participates in β ladder)trans-114.6114.1172-174.3176.7-179176.70110Y72 M73 E74K11-Y72 HydrophobicContact CG-CD1 4.44Å; K11-M73 WeakPolarHBondContact CA-O 3.36Å; K11-E74 HydrophobicContact CB-CG 4.45Å
12M94.8Very high89.4Confident7 Ų771.6 Ų71.63%0.03443%0.425CS..EExtended strand (participates in β ladder)trans-102.3153.3175.158.7-174.478.200111.5W28 Y72 M73 L75 Y86 V108M12-W28 HydrophobicContact CB-CH2 4.45Å; M12-W28 HydrophobicContact CB-CZ3 4.39Å; M12-W28 HydrophobicContact CG-CE3 4.27Å; M12-W28 HydrophobicContact CG-CH2 3.74Å; M12-W28 HydrophobicContact CG-CZ3 3.5Å; M12-W28 HydrophobicContact SD-CE3 3.84Å; M12-W28 HydrophobicContact SD-CH2 4.27Å; M12-W28 HydrophobicContact SD-CZ3 3.42Å; M12-W28 WeakPolarHBondContact SD-CZ3 3.41Å; M12-Y72 WeakPolarHBondContact O-CA 3.48Å; M12-M73 HydrophobicContact CE-CE 3.54Å; M12-M73 HydrophobicContact CG-CB 3.83Å; M12-M73 HydrophobicContact CG-CE 4.07Å; M12-M73 VanDerWaalsContact CG-O 3.32Å; M12-M73 WeakPolarHBondContact CG-O 2.98Å; M12-M73 PolarHBondContact N-O 2.79Å; M12-M73 PolarHBondContact O-N 3.12Å; M12-M73 HydrophobicContact SD-CB 4.39Å; M12-M73 HydrophobicContact SD-CE 3.16Å; M12-M73 WeakPolarHBondContact SD-CE 3.35Å; M12-L75 HydrophobicContact CE-CD1 3.82Å; M12-Y86 HydrophobicContact CE-CD1 4.08Å; M12-Y86 HydrophobicContact CE-CD2 3.88Å; M12-Y86 HydrophobicContact CE-CE2 4.44Å; M12-Y86 HydrophobicContact CE-CG 3.65Å; M12-Y86 VanDerWaalsContact SD-CB 3.51Å; M12-Y86 HydrophobicContact SD-CD1 4.38Å; M12-Y86 HydrophobicContact SD-CG 3.99Å; M12-V108 HydrophobicContact CE-CG2 4.11Å
13S95.6Very high90.1Very high76 Ų7672.5 Ų72.553%0.53143%0.432SS..EExtended strand (participates in β ladder)trans-124.1146.9-178.170.80000111.2A71 Y72S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å
14C95.1Very high90.5Very high11 Ų1166.8 Ų66.87%0.07440%0.399CS..EExtended strand (participates in β ladder)trans-130.694.7174.4179.70000108.1W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; C14-T70 WeakPolarHBondContact O-CA 3.4Å; C14-A71 HydrophobicContact CB-CB 4.45Å; C14-A71 PolarHBondContact N-O 3.41Å; C14-A71 PolarHBondContact O-N 2.85Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.03Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å
15K94.6Very high91Very high163 Ų16365 Ų6571%0.70939%0.387SS*.EExtended strand (participates in β ladder)trans-84.1134.5176.4-175.6171.8-176.5178.90109.7T70K15-T70 HydrophobicContact CB-CG2 4.35Å
16T90.3Very high91.5Very high14 Ų1457 Ų579%0.08635%0.353CS..  trans-117.4156-174.869.20000110.6Y19 F21 M26 S69T16-Y19 VanDerWaalsContact CB-OH 3.22Å; T16-Y19 WeakPolarHBondContact CB-OH 3.16Å; T16-Y19 HydrophobicContact CG2-CE1 4.47Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.42Å; T16-F21 HydrophobicContact CG2-CD2 3.96Å; T16-F21 HydrophobicContact CG2-CE2 3.94Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.33Å; T16-M26 HydrophobicContact CG2-CE 3.52Å; T16-S69 PolarHBondContact N-O 2.84Å; T16-S69 PolarHBondContact OG1-O 2.83Å
17S89.5Confident92Very high107 Ų10752 Ų5275%0.74832%0.32SS*.  trans-156.3159.8178.362.70000110.6Y19S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.18Å
18G88.5Confident92.4Very high86 Ų8649.8 Ų49.889%0.88729%0.294SS*.SBendtrans82.212.717700000115.3
19Y87Confident92.6Very high55 Ų5548.2 Ų48.222%0.21628%0.281CS..SBendtrans-161.5166.6174.264.5-83.9000111.3T16 S17 F21 Y24 R90T16-Y19 VanDerWaalsContact CB-OH 3.22Å; T16-Y19 WeakPolarHBondContact CB-OH 3.16Å; T16-Y19 HydrophobicContact CG2-CE1 4.47Å; T16-Y19 WeakPolarHBondContact CG2-OH 3.42Å; S17-Y19 VanDerWaalsContact O-CD1 3.27Å; S17-Y19 WeakPolarHBondContact O-CD1 3.18Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 3.69Å; Y19-Y24 AromaticContact CE2-CD2 3.69Å; Y19-Y24 HydrophobicContact CE2-CD2 3.69Å; Y19-Y24 HydrophobicContact CE2-CE2 4.37Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-R90 HydrophobicContact CE2-CG 4.4Å
20T91.6Very high92.7Very high78 Ų7845.9 Ų45.948%0.47926%0.263SS..  trans-71.9105172.4-53.20000109.9T22 D23T20-T22 WeakPolarHBondContact CG2-OG1 3.47Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.5Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.1Å
21F91.2Very high92.6Very high7 Ų748.9 Ų48.93%0.03128%0.277CS..G310 helixtrans-55.7-32-173.6176.9-123.4000114.1T16 Y19 D23 M26 P45 V64 A71T16-F21 HydrophobicContact CG2-CD2 3.96Å; T16-F21 HydrophobicContact CG2-CE2 3.94Å; T16-F21 WeakPolarHBondContact OG1-CD2 3.33Å; Y19-F21 HydrophobicContact CE2-CD2 4.47Å; Y19-F21 PolarHBondContact O-N 3.06Å; F21-D23 VanDerWaalsContact C-N 3.29Å; F21-D23 PolarHBondContact O-N 3.19Å; F21-M26 HydrophobicContact CE2-CE 4.15Å; F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.3Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 VanDerWaalsContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.9Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.37Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; F21-V64 HydrophobicContact CE1-CB 4.24Å; F21-V64 HydrophobicContact CE1-CG1 4.26Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; F21-A71 HydrophobicContact CE2-CB 4.46Å; F21-A71 HydrophobicContact CZ-CB 4.04Å
22T92.8Very high92.4Very high42 Ų4244.1 Ų44.126%0.25826%0.258SS..G310 helixtrans-74.1-14.1-179.350.50000114.7T20 Y24 N46 K66T20-T22 WeakPolarHBondContact CG2-OG1 3.47Å; T20-T22 PolarHBondContact O-N 3Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-Y24 VanDerWaalsContact C-N 3.26Å; T22-Y24 PolarHBondContact O-N 3.43Å; T22-N46 WeakPolarHBondContact O-CB 3.2Å; T22-K66 HydrophobicContact CG2-CD 4.34Å
23D90.7Very high91.7Very high98 Ų9850.4 Ų50.452%0.52429%0.287SS..G310 helixtrans-82.3-7.6-173.8-64.9-3.3000112.8T20 F21T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.5Å; T20-D23 WeakPolarHBondContact CG2-OD2 3.41Å; T20-D23 PolarHBondContact O-N 3.1Å; F21-D23 VanDerWaalsContact C-N 3.29Å; F21-D23 PolarHBondContact O-N 3.19Å
24Y89.2Confident90.7Very high55 Ų5551.2 Ų51.222%0.21631%0.308CS..SBendtrans-135.3143-171.9-57.5-78.5000112.4Y19 T22 P45 R90 E91 I92Y19-Y24 AromaticContact CD2-CD2 3.44Å; Y19-Y24 HydrophobicContact CD2-CD2 3.44Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.44Å; Y19-Y24 AromaticContact CD2-CE2 3.69Å; Y19-Y24 HydrophobicContact CD2-CE2 3.69Å; Y19-Y24 AromaticContact CE2-CD2 3.69Å; Y19-Y24 HydrophobicContact CE2-CD2 3.69Å; Y19-Y24 HydrophobicContact CE2-CE2 4.37Å; Y19-Y24 HydrophobicContact CE2-CG 4.5Å; Y19-Y24 HydrophobicContact CG-CD2 4.46Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; T22-Y24 VanDerWaalsContact C-N 3.26Å; T22-Y24 PolarHBondContact O-N 3.43Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; Y24-R90 HydrophobicContact CD1-CG 4.36Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; Y24-E91 WeakPolarHBondContact CD1-O 3.44Å; Y24-I92 HydrophobicContact CD1-CG1 4.29Å; Y24-I92 HydrophobicContact CE1-CG1 4.08Å; Y24-I92 HydrophobicContact CE1-CG2 4.49Å
25N92.3Very high89.6Confident8 Ų857.5 Ų57.54%0.04333%0.334CS..PPolyproline II helixtrans-71.9141.7169.4-61.9-43.2000110.4Y42 N44 E91 Y93N25-Y42 HydrophobicContact CB-CD2 3.93Å; N25-Y42 HydrophobicContact CB-CG 4.48Å; N25-N44 WeakPolarHBondContact OD1-CA 2.97Å; N25-N44 WeakPolarHBondContact OD1-CB 3.32Å; N25-N44 VanDerWaalsContact OD1-CG 3.31Å; N25-N44 PolarHBondContact OD1-ND2 2.76Å; N25-E91 HydrophobicContact CB-CB 4.27Å; N25-E91 WeakPolarHBondContact CB-OE2 3.15Å; N25-E91 PolarHBondContact ND2-OE2 2.72Å; N25-E91 PolarHBondContact O-N 2.81Å; N25-E91 VanDerWaalsContact O-N 3.15Å; N25-Y93 PolarHBondContact ND2-OH 2.76Å; N25-Y93 VanDerWaalsContact ND2-OH 3.11Å
26M94.3Very high89.1Confident4 Ų454.2 Ų54.22%0.0233%0.331CS..EExtended strand (participates in β ladder)trans-104117.7173.7-173.257.862.600109.8T16 F21 Y42 I43 A71 C88 A89T16-M26 HydrophobicContact CG2-CE 3.52Å; F21-M26 HydrophobicContact CE2-CE 4.15Å; M26-Y42 CarbonylContact O-C 3.43Å; M26-Y42 WeakPolarHBondContact O-CA 3.18Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 3.08Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.63Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.77Å; M26-A89 VanDerWaalsContact SD-O 3.38Å
27H95.1Very high89.2Confident13 Ų1357.8 Ų57.86%0.0635%0.35CS..EExtended strand (participates in β ladder)trans-98.5149.1179.6-66.5-111.3000110.8W39 G41 Y42 C88 A89 E91 F99H27-W39 AromaticContact CG-NE1 3.86Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.75Å; H27-G41 WeakPolarHBondContact CA-O 3.48Å; H27-Y42 AromaticContact CE1-CG 3.99Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.2Å; H27-A89 HydrophobicContact CB-CB 4.46Å; H27-A89 PolarHBondContact N-O 3.06Å; H27-A89 PolarHBondContact O-N 2.83Å; H27-E91 IonicContact NE2-OE2 2.56Å; H27-E91 PolarHBondContact NE2-OE2 2.8Å; H27-F99 HydrophobicContact CB-CD1 4.22Å; H27-F99 HydrophobicContact CB-CE1 3.63Å; H27-F99 HydrophobicContact CB-CZ 4.3Å; H27-F99 AromaticContact CD2-CE1 3.7Å; H27-F99 AromaticContact CE1-CE1 3.82Å; H27-F99 AromaticContact CG-CE1 3.29Å; H27-F99 AromaticContact ND1-CE1 3.37Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.36Å; H27-F99 AromaticContact ND1-CZ 3.82Å
28W96.2Very high89.3Confident5 Ų554.9 Ų54.92%0.01932%0.324CS..EExtended strand (participates in β ladder)trans-118.7137.6173.6-69.390.3000110.1M12 C14 I40 G41 L62 A71 M73 Y87 C88M12-W28 HydrophobicContact CB-CH2 4.45Å; M12-W28 HydrophobicContact CB-CZ3 4.39Å; M12-W28 HydrophobicContact CG-CE3 4.27Å; M12-W28 HydrophobicContact CG-CH2 3.74Å; M12-W28 HydrophobicContact CG-CZ3 3.5Å; M12-W28 HydrophobicContact SD-CE3 3.84Å; M12-W28 HydrophobicContact SD-CH2 4.27Å; M12-W28 HydrophobicContact SD-CZ3 3.42Å; M12-W28 WeakPolarHBondContact SD-CZ3 3.41Å; C14-W28 HydrophobicContact CB-CH2 3.75Å; C14-W28 HydrophobicContact CB-CZ2 3.91Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.41Å; W28-G41 PolarHBondContact N-O 2.82Å; W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; W28-A71 HydrophobicContact CZ2-CB 4.29Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.66Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.21Å; W28-M73 HydrophobicContact CE3-CB 3.96Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.37Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.2Å; W28-M73 HydrophobicContact CZ3-CE 4.47Å; W28-Y87 WeakPolarHBondContact CA-O 3.5Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å
29V94.8Very high89.6Confident4 Ų454.4 Ų54.42%0.02430%0.296CS..EExtended strand (participates in β ladder)trans-139.2135.1-172.8-1780000109.4L37 E38 Y86 Y87 W102V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 4.05Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 3.18Å; V29-W102 HydrophobicContact CB-CH2 4Å; V29-W102 HydrophobicContact CB-CZ3 3.71Å; V29-W102 HydrophobicContact CG1-CH2 3.94Å; V29-W102 HydrophobicContact CG1-CZ3 3.9Å; V29-W102 HydrophobicContact CG2-CH2 3.68Å; V29-W102 HydrophobicContact CG2-CZ3 3.77Å
30K94.3Very high90Very high13 Ų1351.8 Ų51.86%0.05729%0.285CS..EExtended strand (participates in β ladder)trans-100.4135.5174.5-175.7-176.5179.5-169.10109.7S32 E38 I40 F56 E81 D82 A84 Y86K30-S32 WeakPolarHBondContact CE-OG 3.44Å; K30-E38 HydrophobicContact CB-CB 4.43Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 3.4Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; K30-F56 HydrophobicContact CB-CZ 4.37Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; K30-E81 PolarHBondContact NZ-O 3.41Å; K30-D82 WeakPolarHBondContact CE-O 2.95Å; K30-D82 IonicContact NZ-OD1 3.9Å; K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 VanDerWaalsContact CE-CB 3.48Å; K30-A84 HydrophobicContact CG-CB 3.5Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4.07Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31Q92.6Very high90.2Very high64 Ų6448 Ų4830%0.29926%0.263SS..EExtended strand (participates in β ladder)trans-119100.1169.1-172179.93400109.4L37 A84 I85 Y87Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; Q31-I85 HydrophobicContact CB-CB 4.42Å; Q31-I85 PolarHBondContact N-O 3.11Å; Q31-I85 PolarHBondContact O-N 3.12Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.4Å
32S89.3Confident90.4Very high16 Ų1651.3 Ų51.311%0.11228%0.275CS..EExtended strand (participates in β ladder)trans-73.6152.9172.9-74.10000111.2K30 G34 K35K30-S32 WeakPolarHBondContact CE-OG 3.44Å; S32-G34 PolarHBondContact O-N 3.19Å; S32-G34 VanDerWaalsContact O-N 3.09Å; S32-K35 PolarHBondContact O-N 2.95Å
33H81.7Confident90.6Very high139 Ų13949.5 Ų49.564%0.64426%0.264SS*.THydrogen-bonded Turntrans-54.5116.4-178.9-70.8-146.4000110.7K35H33-K35 VanDerWaalsContact C-N 3.27Å; H33-K35 PolarHBondContact O-N 2.91Å
34G73.8Confident90.8Very high94 Ų9446.4 Ų46.497%0.96925%0.248SC*.THydrogen-bonded Turntrans71.19.1179.400000116.2S32S32-G34 PolarHBondContact O-N 3.19Å; S32-G34 VanDerWaalsContact O-N 3.09Å
35K72.3Confident91.1Very high143 Ų14343.8 Ų43.862%0.62224%0.237SC*.SBendtrans-109.7165.8179.4-65.6-170.9-178.9177.50112.5S32 H33S32-K35 PolarHBondContact O-N 2.95Å; H33-K35 VanDerWaalsContact C-N 3.27Å; H33-K35 PolarHBondContact O-N 2.91Å
36S84.7Confident91.2Very high93 Ų9348 Ų4865%0.6526%0.26SS*.  trans-62.9160170.952.30000112E38S36-E38 PolarHBondContact O-N 3.04Å
37L90.6Very high91.2Very high89 Ų8953.5 Ų53.547%0.46629%0.289SS..EExtended strand (participates in β ladder)trans-64.6127.5172.3-64.5175.5000110.1V29 Q31 W102V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 4.05Å; V29-L37 HydrophobicContact CG1-CG 4.39Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W102 HydrophobicContact CD1-CH2 3.93Å; L37-W102 HydrophobicContact CD1-CZ2 4.44Å; L37-W102 HydrophobicContact CD1-CZ3 4.47Å
38E92.8Very high91.1Very high47 Ų4754.6 Ų54.622%0.2230%0.304CS..EExtended strand (participates in β ladder)trans-107.7116.8174.9-66.4-166.3136.400109.9V29 K30 S36 I40 K55V29-E38 CarbonylContact C-O 3.5Å; V29-E38 WeakPolarHBondContact CA-O 3.43Å; V29-E38 WeakPolarHBondContact CG1-O 3.22Å; K30-E38 HydrophobicContact CB-CB 4.43Å; K30-E38 PolarHBondContact N-O 3.47Å; K30-E38 PolarHBondContact O-N 3.4Å; S36-E38 PolarHBondContact O-N 3.04Å; E38-I40 PolarHBondContact O-N 2.82Å; E38-K55 IonicContact OE1-NZ 2.75Å; E38-K55 PolarHBondContact OE1-NZ 2.89Å
39W93.8Very high91.1Very high75 Ų7555.8 Ų55.828%0.28432%0.318SS..EExtended strand (participates in β ladder)trans-70.4128.2174.1179.971.4000110.8H27 G41 Y42 N53H27-W39 AromaticContact CG-NE1 3.86Å; H27-W39 AromaticContact ND1-CD1 3.91Å; H27-W39 AromaticContact ND1-CE2 3.89Å; H27-W39 AromaticContact ND1-NE1 3.08Å; H27-W39 PolarHBondContact ND1-NE1 2.75Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-Y42 HydrophobicContact CH2-CD1 4.4Å; W39-Y42 AromaticContact CZ2-CD1 3.84Å; W39-Y42 HydrophobicContact CZ2-CD1 3.84Å; W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.24Å; W39-N53 PolarHBondContact O-ND2 2.83Å
40I95.9Very high91.2Very high0 Ų058.7 Ų58.70%034%0.336CS..EExtended strand (participates in β ladder)trans-91.4-49.5-178.1-59.4176.7000110.3W28 K30 E38 Y52 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.26Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 3.41Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.18Å; E38-I40 PolarHBondContact O-N 2.82Å; I40-Y52 WeakPolarHBondContact O-CA 3.16Å; I40-N53 PolarHBondContact O-N 2.56Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.05Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4Å; I40-F56 HydrophobicContact CG2-CD2 4.18Å; I40-F56 HydrophobicContact CG2-CG 3.71Å; I40-A60 HydrophobicContact CG2-CB 3.8Å; I40-M73 HydrophobicContact CD1-CE 3.64Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å
41G95.9Very high91.3Very high0 Ų060.2 Ų60.20%035%0.348CS..EExtended strand (participates in β ladder)trans172.3175.5-169.600000112.3H27 W28 W39 S51H27-G41 WeakPolarHBondContact CA-O 3.48Å; W28-G41 PolarHBondContact N-O 2.82Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-S51 CarbonylContact C-O 3.59Å; G41-S51 WeakPolarHBondContact CA-O 3.49Å
42Y95.9Very high91.5Very high75 Ų7560 Ų6029%0.29435%0.345SS..EExtended strand (participates in β ladder)trans-135.3156.116982.4-101.7000110.8N25 M26 H27 W39 N44 T50 S51 L62N25-Y42 HydrophobicContact CB-CD2 3.93Å; N25-Y42 HydrophobicContact CB-CG 4.48Å; M26-Y42 CarbonylContact O-C 3.43Å; M26-Y42 WeakPolarHBondContact O-CA 3.18Å; H27-Y42 AromaticContact CE1-CG 3.99Å; W39-Y42 HydrophobicContact CH2-CD1 4.4Å; W39-Y42 AromaticContact CZ2-CD1 3.84Å; W39-Y42 HydrophobicContact CZ2-CD1 3.84Å; Y42-N44 HydrophobicContact CE2-CB 4.4Å; Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.19Å; Y42-S51 PolarHBondContact N-O 2.8Å; Y42-S51 PolarHBondContact O-N 3.46Å; Y42-L62 VanDerWaalsContact C-CD1 3.49Å; Y42-L62 WeakPolarHBondContact O-CD1 3.27Å
43I96.4Very high91.7Very high5 Ų561.4 Ų61.43%0.02635%0.351CS..EExtended strand (participates in β ladder)trans-126.3132.9167.3-175.1156.4000109.6M26 P45 G49 T50 L62 V64M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 2.99Å; M26-I43 PolarHBondContact O-N 3.08Å; I43-P45 WeakPolarHBondContact O-CD 3.45Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 2.99Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.73Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; I43-L62 HydrophobicContact CB-CB 3.98Å; I43-L62 HydrophobicContact CB-CD1 4.33Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 WeakPolarHBondContact CD1-O 3.5Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; I43-V64 HydrophobicContact CB-CG1 4.47Å; I43-V64 HydrophobicContact CD1-CB 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.29Å; I43-V64 HydrophobicContact CG1-CG1 3.87Å; I43-V64 HydrophobicContact CG2-CG1 3.77Å
44N95.1Very high92.3Very high33 Ų3363.3 Ų63.318%0.17636%0.36CS..  trans-86.5113.3171.4-177.2-56.9000108.7N25 Y42 N46 N47 G48 G49N25-N44 WeakPolarHBondContact OD1-CA 2.97Å; N25-N44 WeakPolarHBondContact OD1-CB 3.32Å; N25-N44 VanDerWaalsContact OD1-CG 3.31Å; N25-N44 PolarHBondContact OD1-ND2 2.76Å; Y42-N44 HydrophobicContact CE2-CB 4.4Å; N44-N46 PolarHBondContact O-N 2.82Å; N44-N46 WeakPolarHBondContact OD1-CA 3.22Å; N44-N46 WeakPolarHBondContact OD1-CB 3.4Å; N44-N46 PolarHBondContact OD1-N 2.76Å; N44-N47 WeakPolarHBondContact CB-OD1 3.37Å; N44-N47 PolarHBondContact OD1-N 3.01Å; N44-N47 PolarHBondContact OD1-OD1 2.83Å; N44-G48 WeakPolarHBondContact O-CA 3.49Å; N44-G48 PolarHBondContact O-N 2.83Å; N44-G49 PolarHBondContact N-O 2.81Å
45P94.9Very high93.1Very high0 Ų065.6 Ų65.60%034%0.344CS..THydrogen-bonded Turntrans-71.3-16.9-177.3-16.431.7000114F21 Y24 I43 V64 K66F21-P45 HydrophobicContact CD1-CB 3.79Å; F21-P45 HydrophobicContact CD1-CG 4.3Å; F21-P45 HydrophobicContact CD2-CG 4.3Å; F21-P45 HydrophobicContact CE1-CB 3.5Å; F21-P45 VanDerWaalsContact CE1-CB 3.5Å; F21-P45 HydrophobicContact CE1-CG 3.9Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.87Å; F21-P45 HydrophobicContact CG-CB 4.37Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.66Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-P45 WeakPolarHBondContact O-CG 3.32Å; I43-P45 WeakPolarHBondContact O-CD 3.45Å; P45-V64 HydrophobicContact CB-CB 4.49Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å; P45-K66 PolarHBondContact O-NZ 3.45Å
46N94.3Very high94.1Very high97 Ų9759.2 Ų59.252%0.51932%0.316SS..THydrogen-bonded Turntrans-70.6-54176.5-171.719.3000111.6T22 N44 K66T22-N46 WeakPolarHBondContact O-CB 3.2Å; N44-N46 PolarHBondContact O-N 2.82Å; N44-N46 WeakPolarHBondContact OD1-CA 3.22Å; N44-N46 WeakPolarHBondContact OD1-CB 3.4Å; N44-N46 PolarHBondContact OD1-N 2.76Å; N46-K66 PolarHBondContact O-NZ 3.25Å
47N94.3Very high94.6Very high119 Ų11962.5 Ų62.564%0.63632%0.319SS*.THydrogen-bonded Turntrans-112.1-4.3-173.265.117.8000114.4N44 G49N44-N47 WeakPolarHBondContact CB-OD1 3.37Å; N44-N47 PolarHBondContact OD1-N 3.01Å; N44-N47 PolarHBondContact OD1-OD1 2.83Å; N47-G49 PolarHBondContact O-N 2.83Å; N47-G49 WeakPolarHBondContact OD1-CA 3.36Å; N47-G49 PolarHBondContact OD1-N 2.02Å
48G93.9Very high94.6Very high36 Ų3662.1 Ų62.137%0.37134%0.336SS..  trans75.47.4-178.100000114.3N44N44-G48 WeakPolarHBondContact O-CA 3.49Å; N44-G48 PolarHBondContact O-N 2.83Å
49G95.9Very high94.7Very high30 Ų3062.2 Ų62.231%0.30934%0.335SS..  trans-60.5135.5176.900000111.1I43 N44 N47I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 2.99Å; N44-G49 PolarHBondContact N-O 2.81Å; N47-G49 PolarHBondContact O-N 2.83Å; N47-G49 WeakPolarHBondContact OD1-CA 3.36Å; N47-G49 PolarHBondContact OD1-N 2.02Å
50T96.6Very high94.8Very high64 Ų6458.8 Ų58.839%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-126.5147.3-179.253.50000111.5Y42 I43 L62Y42-T50 VanDerWaalsContact O-CA 3.3Å; Y42-T50 WeakPolarHBondContact O-CA 3.19Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.73Å; I43-T50 HydrophobicContact CG1-CG2 3.76Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51S95.9Very high94.9Very high46 Ų4662.2 Ų62.232%0.32235%0.345SS..EExtended strand (participates in β ladder)trans-134.2147.5168-173.60000109.4G41 Y42G41-S51 CarbonylContact C-O 3.59Å; G41-S51 WeakPolarHBondContact CA-O 3.49Å; Y42-S51 PolarHBondContact N-O 2.8Å; Y42-S51 PolarHBondContact O-N 3.46Å
52Y96.4Very high95Very high58 Ų5862.7 Ų62.723%0.22735%0.347CS..EExtended strand (participates in β ladder)trans-132.2144.1-175.8-62.5-91.9000110.3I40 A60 L62I40-Y52 WeakPolarHBondContact O-CA 3.16Å; Y52-A60 HydrophobicContact CD1-CB 4.32Å; Y52-A60 HydrophobicContact CE1-CB 4.14Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.96Å
53N94.8Very high95.1Very high47 Ų4761.9 Ų61.925%0.25135%0.35SS..  trans-65.2138.8158.4179.7-26000109W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.92Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.24Å; W39-N53 PolarHBondContact O-ND2 2.83Å; I40-N53 PolarHBondContact O-N 2.56Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.9Å; N53-K57 PolarHBondContact O-N 2.91Å; N53-K57 VanDerWaalsContact O-N 3.17Å
54Q94.1Very high95.1Very high178 Ų17863.4 Ų63.483%0.83236%0.359SS*.G310 helixtrans-52.4-35.7-177.9-68.7-173.8-12.200113.1F56 K57Q54-F56 PolarHBondContact O-N 3.27Å; Q54-K57 PolarHBondContact O-N 2.87Å
55K91.5Very high95.1Very high143 Ų14364.4 Ų64.462%0.62237%0.365SS*.G310 helixtrans-60.6-29.8178-66.6-173.4-176-176.70113.8E38 N53E38-K55 IonicContact OE1-NZ 2.75Å; E38-K55 PolarHBondContact OE1-NZ 2.89Å; N53-K55 PolarHBondContact O-N 2.82Å; N53-K55 VanDerWaalsContact O-N 3.1Å; N53-K55 PolarHBondContact OD1-N 2.89Å; N53-K55 VanDerWaalsContact OD1-N 3.12Å
56F93.3Very high95.1Very high8 Ų869.7 Ų69.74%0.03539%0.388CS..G310 helixtrans-107-5.1-173.9-62.3-84000112.8K30 I40 N53 Q54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.37Å; K30-F56 HydrophobicContact CD-CE1 4.09Å; K30-F56 HydrophobicContact CD-CZ 3.97Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.24Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.23Å; I40-F56 HydrophobicContact CG1-CD2 4.2Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.05Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4Å; I40-F56 HydrophobicContact CG2-CB 3.72Å; I40-F56 HydrophobicContact CG2-CD1 4Å; I40-F56 HydrophobicContact CG2-CD2 4.18Å; I40-F56 HydrophobicContact CG2-CG 3.71Å; N53-F56 HydrophobicContact CB-CD2 4.08Å; N53-F56 PolarHBondContact O-N 2.9Å; Q54-F56 PolarHBondContact O-N 3.27Å; F56-G58 PolarHBondContact O-N 2.99Å; F56-K59 PolarHBondContact O-N 3.42Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 2.86Å
57K93.3Very high95Very high163 Ų16370.2 Ų70.271%0.70940%0.399SS*.BIsolated β-bridgetrans-62.5123.9177.1-166.7173.9-176.3178.30109.7N53 Q54 K59N53-K57 PolarHBondContact O-N 2.91Å; N53-K57 VanDerWaalsContact O-N 3.17Å; Q54-K57 PolarHBondContact O-N 2.87Å; K57-K59 PolarHBondContact O-N 3.06Å
58G91.9Very high95.1Very high80 Ų8066.3 Ų66.383%0.82538%0.381SS*.THydrogen-bonded Turntrans82.2-6.3-175.900000114.9F56F56-G58 PolarHBondContact O-N 2.99Å
59K94.6Very high95.2Very high49 Ų4966.4 Ų66.421%0.21338%0.376CS..THydrogen-bonded Turntrans-104.2-44.1172.2-169.8171.1-167.21680112.1F56 K57 A76 D82F56-K59 PolarHBondContact O-N 3.42Å; K57-K59 PolarHBondContact O-N 3.06Å; K59-A76 WeakPolarHBondContact CE-O 3.41Å; K59-A76 WeakPolarHBondContact CG-O 3.36Å; K59-A76 PolarHBondContact O-N 2.88Å; K59-D82 WeakPolarHBondContact CE-OD1 3.35Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 3.43Å; K59-D82 PolarHBondContact NZ-OD2 2.64Å
60A96.6Very high95.2Very high4 Ų465.3 Ų65.33%0.03336%0.363CS..EExtended strand (participates in β ladder)trans-94138.6176.200000110.8I40 Y52 F56 M73 E74 L75I40-A60 HydrophobicContact CG2-CB 3.8Å; Y52-A60 HydrophobicContact CD1-CB 4.32Å; Y52-A60 HydrophobicContact CE1-CB 4.14Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; F56-A60 HydrophobicContact CB-CB 4.19Å; F56-A60 PolarHBondContact O-N 2.86Å; A60-M73 HydrophobicContact CB-CG 4.47Å; A60-M73 HydrophobicContact CB-SD 4.27Å; A60-E74 CarbonylContact C-O 3.46Å; A60-E74 WeakPolarHBondContact CA-O 3.46Å; A60-L75 HydrophobicContact CB-CD2 3.8Å
61T97.7Very high95.2Very high72 Ų7262.2 Ų62.244%0.44234%0.344SS..EExtended strand (participates in β ladder)trans-123.3120.2169.4-61.70000108.6T63 M73 E74T61-T63 HydrophobicContact CG2-CG2 4.32Å; T61-M73 CarbonylContact O-C 3.46Å; T61-M73 WeakPolarHBondContact O-CA 3.03Å; T61-E74 PolarHBondContact N-O 2.89Å; T61-E74 PolarHBondContact O-N 3.15Å
62L97.8Very high95.3Very high9 Ų962.6 Ų62.65%0.04734%0.339CS..EExtended strand (participates in β ladder)trans-100.3133.1178.8-53.4-176.6000110.4W28 Y42 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.46Å; W28-L62 HydrophobicContact CG-CD2 4.03Å; Y42-L62 VanDerWaalsContact C-CD1 3.49Å; Y42-L62 WeakPolarHBondContact O-CD1 3.27Å; I43-L62 HydrophobicContact CB-CB 3.98Å; I43-L62 HydrophobicContact CB-CD1 4.33Å; I43-L62 HydrophobicContact CD1-CB 4.12Å; I43-L62 WeakPolarHBondContact CD1-O 3.5Å; I43-L62 HydrophobicContact CG2-CB 4.3Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.08Å; Y52-L62 HydrophobicContact CE1-CG 3.72Å; Y52-L62 PolarHBondContact OH-N 2.96Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; L62-M73 HydrophobicContact CD2-CB 3.65Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 4Å
63T97.5Very high95.3Very high59 Ų5959.9 Ų59.936%0.36233%0.328SS..EExtended strand (participates in β ladder)trans-139163.4176.656.40000110.8T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.32Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 2.81Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.19Å
64V96.9Very high95.4Very high37 Ų3761.5 Ų61.522%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-134.8146.1177-690000110.6F21 I43 P45 A71F21-V64 HydrophobicContact CE1-CB 4.24Å; F21-V64 HydrophobicContact CE1-CG1 4.26Å; F21-V64 HydrophobicContact CZ-CB 4.49Å; F21-V64 HydrophobicContact CZ-CG1 4.06Å; I43-V64 HydrophobicContact CB-CG1 4.47Å; I43-V64 HydrophobicContact CD1-CB 4.49Å; I43-V64 HydrophobicContact CD1-CG1 3.79Å; I43-V64 HydrophobicContact CD1-CG2 4.29Å; I43-V64 HydrophobicContact CG1-CG1 3.87Å; I43-V64 HydrophobicContact CG2-CG1 3.77Å; P45-V64 HydrophobicContact CB-CB 4.49Å; P45-V64 HydrophobicContact CB-CG1 4.08Å; P45-V64 HydrophobicContact CG-CG1 4.23Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
65D95.9Very high95.5Very high54 Ų5453.1 Ų53.129%0.28930%0.295SS..EExtended strand (participates in β ladder)trans-115.7108.1163.5175.17.2000108.3S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.22Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 3.12Å; D65-S68 WeakPolarHBondContact CB-OG 3.12Å; D65-S68 PolarHBondContact OD1-N 3.39Å; D65-S68 WeakPolarHBondContact OD2-CB 3.1Å; D65-S68 PolarHBondContact OD2-OG 2.96Å; D65-S69 PolarHBondContact O-N 3.02Å; D65-S69 VanDerWaalsContact O-N 3.12Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 2.94Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å
66K94.1Very high95.6Very high111 Ų11147.8 Ų47.848%0.48328%0.278SS..THydrogen-bonded Turntrans-68.7-33.1-178.2-54.1-171.9-166.4-167.10111.7T22 P45 N46 S68 S69T22-K66 HydrophobicContact CG2-CD 4.34Å; P45-K66 WeakPolarHBondContact O-CE 3.43Å; P45-K66 PolarHBondContact O-NZ 3.45Å; N46-K66 PolarHBondContact O-NZ 3.25Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3Å; K66-S69 PolarHBondContact O-N 2.86Å
67S92.9Very high95.6Very high108 Ų10856.9 Ų56.976%0.75531%0.312SS*.THydrogen-bonded Turntrans-65.8-35.9-176.773.10000111.8D65D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 WeakPolarHBondContact OD1-CB 3.22Å; D65-S67 PolarHBondContact OD1-N 2.94Å; D65-S67 PolarHBondContact OD1-OG 3.1Å; D65-S67 PolarHBondContact OD2-OG 3.12Å
68S95.3Very high95.4Very high36 Ų3649.5 Ų49.525%0.25228%0.28SS..THydrogen-bonded Turntrans-100.24.1178.266.10000113.7D65 K66 T70D65-S68 WeakPolarHBondContact CB-OG 3.12Å; D65-S68 PolarHBondContact OD1-N 3.39Å; D65-S68 WeakPolarHBondContact OD2-CB 3.1Å; D65-S68 PolarHBondContact OD2-OG 2.96Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 3.06Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 3.25Å
69S95.5Very high95.4Very high39 Ų3948.7 Ų48.727%0.27326%0.259SS..THydrogen-bonded Turntrans49.942.3-175.6-62.70000113.1T16 D65 K66T16-S69 PolarHBondContact N-O 2.84Å; T16-S69 PolarHBondContact OG1-O 2.83Å; D65-S69 PolarHBondContact O-N 3.02Å; D65-S69 VanDerWaalsContact O-N 3.12Å; K66-S69 PolarHBondContact O-N 2.86Å
70T96.6Very high95Very high6 Ų651.4 Ų51.44%0.03729%0.285CS..EExtended strand (participates in β ladder)trans-121.7128-172.9-56.80000110.8C14 K15 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.4Å; K15-T70 HydrophobicContact CB-CG2 4.35Å; D65-T70 PolarHBondContact N-O 2.94Å; D65-T70 PolarHBondContact O-N 2.94Å; S68-T70 PolarHBondContact O-N 2.8Å; S68-T70 PolarHBondContact O-OG1 3.06Å; S68-T70 WeakPolarHBondContact OG-CB 3.44Å; S68-T70 PolarHBondContact OG-OG1 3.25Å; T70-Y72 HydrophobicContact CG2-CD1 4.37Å; T70-Y72 HydrophobicContact CG2-CD2 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.78Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
71A96.9Very high94.5Very high0 Ų058.6 Ų58.60%032%0.317CS..EExtended strand (participates in β ladder)trans-94.1149.2167.100000110.1S13 C14 F21 M26 W28 V64S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.46Å; C14-A71 HydrophobicContact CB-CB 4.45Å; C14-A71 PolarHBondContact N-O 3.41Å; C14-A71 PolarHBondContact O-N 2.85Å; F21-A71 HydrophobicContact CE2-CB 4.46Å; F21-A71 HydrophobicContact CZ-CB 4.04Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.63Å; W28-A71 HydrophobicContact CZ2-CB 4.29Å; V64-A71 HydrophobicContact CG1-CB 4.23Å
72Y97.3Very high94.1Very high54 Ų5455.6 Ų55.621%0.21230%0.299CS..EExtended strand (participates in β ladder)trans-129.2146176.3-57.7-90.8000110.7K11 M12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CG-CD1 4.44Å; M12-Y72 WeakPolarHBondContact O-CA 3.48Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.45Å; T63-Y72 PolarHBondContact N-O 2.89Å; T63-Y72 PolarHBondContact O-N 2.81Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.19Å; D65-Y72 HydrophobicContact CB-CE2 3.94Å; T70-Y72 HydrophobicContact CG2-CD1 4.37Å; T70-Y72 HydrophobicContact CG2-CD2 4.26Å; T70-Y72 HydrophobicContact CG2-CE1 3.78Å; T70-Y72 HydrophobicContact CG2-CE2 3.64Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.26Å
73M97.3Very high93.7Very high0 Ų057.7 Ų57.70%031%0.314CS..EExtended strand (participates in β ladder)trans-122.3128.5165.2176.3171.970.100108.6K11 M12 W28 I40 A60 T61 L62 L75 Y86K11-M73 WeakPolarHBondContact CA-O 3.36Å; M12-M73 HydrophobicContact CE-CE 3.54Å; M12-M73 HydrophobicContact CG-CB 3.83Å; M12-M73 HydrophobicContact CG-CE 4.07Å; M12-M73 VanDerWaalsContact CG-O 3.32Å; M12-M73 WeakPolarHBondContact CG-O 2.98Å; M12-M73 PolarHBondContact N-O 2.79Å; M12-M73 PolarHBondContact O-N 3.12Å; M12-M73 HydrophobicContact SD-CB 4.39Å; M12-M73 HydrophobicContact SD-CE 3.16Å; M12-M73 WeakPolarHBondContact SD-CE 3.35Å; W28-M73 HydrophobicContact CB-CE 4.43Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.66Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.21Å; W28-M73 HydrophobicContact CE3-CB 3.96Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.37Å; W28-M73 HydrophobicContact CG-CB 4.13Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.16Å; W28-M73 HydrophobicContact CZ2-CB 3.89Å; W28-M73 HydrophobicContact CZ3-CB 4.2Å; W28-M73 HydrophobicContact CZ3-CE 4.47Å; I40-M73 HydrophobicContact CD1-CE 3.64Å; I40-M73 HydrophobicContact CD1-SD 3.66Å; I40-M73 HydrophobicContact CG2-SD 3.83Å; A60-M73 HydrophobicContact CB-CG 4.47Å; A60-M73 HydrophobicContact CB-SD 4.27Å; T61-M73 CarbonylContact O-C 3.46Å; T61-M73 WeakPolarHBondContact O-CA 3.03Å; L62-M73 HydrophobicContact CD2-CB 3.65Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 4Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.27Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.15Å; M73-Y86 HydrophobicContact CE-CG 4.33Å
74E96.8Very high93.4Very high82 Ų8254.9 Ų54.938%0.38330%0.297SS..EExtended strand (participates in β ladder)trans-106.4125.8168.3-171.8175171.900109.4V10 K11 A60 T61V10-E74 CarbonylContact O-C 3.55Å; V10-E74 VanDerWaalsContact O-CA 3.24Å; V10-E74 WeakPolarHBondContact O-CA 3.41Å; K11-E74 HydrophobicContact CB-CG 4.45Å; A60-E74 CarbonylContact C-O 3.46Å; A60-E74 WeakPolarHBondContact CA-O 3.46Å; T61-E74 PolarHBondContact N-O 2.89Å; T61-E74 PolarHBondContact O-N 3.15Å
75L95.3Very high93.3Very high1 Ų155.6 Ų55.61%0.00530%0.299CS..EExtended strand (participates in β ladder)trans-106.2119.5173.8-67.8171.7000108.7S9 V10 M12 A60 M73 M78 Y86S9-L75 CarbonylContact C-O 3.5Å; S9-L75 WeakPolarHBondContact CA-O 3.4Å; V10-L75 PolarHBondContact N-O 2.86Å; V10-L75 PolarHBondContact O-N 3.44Å; M12-L75 HydrophobicContact CE-CD1 3.82Å; A60-L75 HydrophobicContact CB-CD2 3.8Å; M73-L75 HydrophobicContact CE-CD1 3.89Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.01Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.28Å; M73-L75 HydrophobicContact SD-CD2 4.01Å; M73-L75 HydrophobicContact SD-CG 4.27Å; L75-M78 HydrophobicContact CB-SD 3.57Å; L75-M78 VanDerWaalsContact CB-SD 3.57Å; L75-M78 HydrophobicContact CD1-SD 4Å; L75-M78 HydrophobicContact CG-SD 4.44Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å
76A94.4Very high93.2Very high31 Ų3153.2 Ų53.226%0.25629%0.286SS..  trans-89.1150.7178.300000111.9K59 M78K59-A76 WeakPolarHBondContact CE-O 3.41Å; K59-A76 WeakPolarHBondContact CG-O 3.36Å; K59-A76 PolarHBondContact O-N 2.88Å; A76-M78 PolarHBondContact O-N 3.04Å
77R92.3Very high93.2Very high200 Ų20050 Ų5076%0.75527%0.271SS*.SBendtrans53.555.5171.5-55.8177.2-177.1165.20.7112.2A8 T79A8-R77 PolarHBondContact O-N 3Å; R77-T79 PolarHBondContact O-N 3.08Å
78M90.8Very high93.3Very high8 Ų845.5 Ų45.54%0.03924%0.239CC..  trans-56.8133.5-179.6-69.1-66-72.500111.2V4 P6 G7 A8 V10 L75 A76 D82 V108V4-M78 HydrophobicContact CG2-CE 4.5Å; P6-M78 CarbonylContact C-O 3.58Å; P6-M78 WeakPolarHBondContact CA-O 3.23Å; G7-M78 PolarHBondContact N-O 3.3Å; A8-M78 WeakPolarHBondContact O-CB 3.23Å; A8-M78 WeakPolarHBondContact O-CG 3.42Å; A8-M78 PolarHBondContact O-N 3.09Å; V10-M78 HydrophobicContact CG2-CG 4.11Å; L75-M78 HydrophobicContact CB-SD 3.57Å; L75-M78 VanDerWaalsContact CB-SD 3.57Å; L75-M78 HydrophobicContact CD1-SD 4Å; L75-M78 HydrophobicContact CG-SD 4.44Å; A76-M78 PolarHBondContact O-N 3.04Å; M78-D82 HydrophobicContact CE-CB 3.66Å; M78-D82 HydrophobicContact SD-CB 4.01Å; M78-V108 HydrophobicContact CE-CG1 3.68Å
79T90.2Very high93.1Very high62 Ų6243.9 Ų43.938%0.3823%0.228SC..  trans-117.9169.4172.971.50000110.1R77 E81 D82R77-T79 PolarHBondContact O-N 3.08Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 PolarHBondContact OG1-N 2.62Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.7Å
80S86.4Confident92.9Very high107 Ų10743.3 Ų43.375%0.74822%0.22SC*.G310 helixtrans-59-27.2175.152.50000113.1D82 S83S80-D82 PolarHBondContact O-N 3.05Å; S80-S83 PolarHBondContact O-N 3.26Å
81E86.1Confident92.2Very high155 Ų15544.8 Ų44.872%0.72423%0.226SC*.G310 helixtrans-73.5-17.7177.1-60-179.1171.200113K30 T79 S83K30-E81 PolarHBondContact NZ-O 3.41Å; T79-E81 PolarHBondContact O-N 2.91Å; T79-E81 PolarHBondContact OG1-N 2.62Å; E81-S83 VanDerWaalsContact C-N 3.33Å
82D88.9Confident91.1Very high9 Ų946 Ų465%0.04823%0.232CC..G310 helixtrans-80.2-17.1175-60.9-51.2000112.7K30 K59 M78 T79 S80 A84 Y86K30-D82 WeakPolarHBondContact CE-O 2.95Å; K30-D82 IonicContact NZ-OD1 3.9Å; K59-D82 WeakPolarHBondContact CE-OD1 3.35Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD1 2.82Å; K59-D82 PolarHBondContact NZ-OD1 3.37Å; K59-D82 IonicContact NZ-OD2 3.43Å; K59-D82 PolarHBondContact NZ-OD2 2.64Å; M78-D82 HydrophobicContact CE-CB 3.66Å; M78-D82 HydrophobicContact SD-CB 4.01Å; T79-D82 PolarHBondContact N-OD2 3.43Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 3.17Å; T79-D82 PolarHBondContact OG1-OD2 2.7Å; S80-D82 PolarHBondContact O-N 3.05Å; D82-A84 WeakPolarHBondContact O-CB 3.3Å; D82-A84 PolarHBondContact O-N 3.27Å; D82-A84 VanDerWaalsContact O-N 3.08Å; D82-Y86 PolarHBondContact O-OH 3.5Å
83S90.1Very high89.4Confident52 Ų5251.1 Ų51.136%0.36425%0.252SS..  trans-60.9119-178.9-1700000111S80 E81 V108S80-S83 PolarHBondContact O-N 3.26Å; E81-S83 VanDerWaalsContact C-N 3.33Å; S83-V108 VanDerWaalsContact CA-O 3.23Å; S83-V108 WeakPolarHBondContact CA-O 3.18Å; S83-V108 PolarHBondContact OG-O 2.96Å
84A92.6Very high87.4Confident0 Ų060.1 Ų60.10%029%0.288CS..EExtended strand (participates in β ladder)trans-170.4167.3-166.400000110.5K30 Q31 D82 Y86 V108K30-A84 HydrophobicContact CD-CB 4.12Å; K30-A84 VanDerWaalsContact CE-CB 3.48Å; K30-A84 HydrophobicContact CG-CB 3.5Å; Q31-A84 WeakPolarHBondContact O-CA 3.39Å; Q31-A84 VanDerWaalsContact O-CB 3.28Å; Q31-A84 WeakPolarHBondContact O-CB 3.4Å; D82-A84 WeakPolarHBondContact O-CB 3.3Å; D82-A84 PolarHBondContact O-N 3.27Å; D82-A84 VanDerWaalsContact O-N 3.08Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.97Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; A84-V108 PolarHBondContact N-O 3.17Å; A84-V108 VanDerWaalsContact N-O 3.1Å; A84-V108 PolarHBondContact O-N 3.4Å
85I93.2Very high85.2Confident53 Ų5365 Ų6527%0.27231%0.311SS..EExtended strand (participates in β ladder)trans-88.5127.2165.8-52.4172.6000108.1Q31 Y87 L107Q31-I85 HydrophobicContact CB-CB 4.42Å; Q31-I85 PolarHBondContact N-O 3.11Å; Q31-I85 PolarHBondContact O-N 3.12Å; I85-Y87 HydrophobicContact CB-CE2 3.88Å; I85-Y87 HydrophobicContact CG2-CD1 4.48Å; I85-Y87 HydrophobicContact CG2-CD2 4.23Å; I85-Y87 HydrophobicContact CG2-CE1 3.83Å; I85-Y87 HydrophobicContact CG2-CE2 3.54Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.38Å; I85-L107 HydrophobicContact CG1-CB 4.4Å; I85-L107 HydrophobicContact CG1-CD1 3.93Å
86Y94.5Very high83.1Confident3 Ų375.5 Ų75.51%0.01235%0.352CS..EExtended strand (participates in β ladder)trans-106.6129.5178-68.5-88.6000110.3M12 V29 K30 I40 M73 L75 D82 A84 G105 T106 V108M12-Y86 HydrophobicContact CE-CD1 4.08Å; M12-Y86 HydrophobicContact CE-CD2 3.88Å; M12-Y86 HydrophobicContact CE-CE2 4.44Å; M12-Y86 HydrophobicContact CE-CG 3.65Å; M12-Y86 VanDerWaalsContact SD-CB 3.51Å; M12-Y86 HydrophobicContact SD-CD1 4.38Å; M12-Y86 HydrophobicContact SD-CG 3.99Å; V29-Y86 CarbonylContact O-C 3.6Å; V29-Y86 WeakPolarHBondContact O-CA 3.42Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.89Å; K30-Y86 HydrophobicContact CD-CE1 4.07Å; K30-Y86 HydrophobicContact CG-CD1 4.25Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.75Å; I40-Y86 HydrophobicContact CD1-CE1 3.84Å; M73-Y86 HydrophobicContact CE-CD1 3.65Å; M73-Y86 HydrophobicContact CE-CE1 4.15Å; M73-Y86 HydrophobicContact CE-CG 4.33Å; L75-Y86 HydrophobicContact CD1-CD1 4.15Å; L75-Y86 HydrophobicContact CD1-CE1 3.45Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.45Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å; L75-Y86 WeakPolarHBondContact CD1-OH 3.46Å; D82-Y86 PolarHBondContact O-OH 3.5Å; A84-Y86 HydrophobicContact CB-CD2 4.46Å; A84-Y86 HydrophobicContact CB-CE2 3.97Å; A84-Y86 WeakPolarHBondContact O-CD2 3.37Å; Y86-G105 CarbonylContact O-C 3.54Å; Y86-G105 WeakPolarHBondContact O-CA 3.5Å; Y86-T106 PolarHBondContact N-O 3.38Å; Y86-T106 PolarHBondContact O-N 2.82Å; Y86-V108 HydrophobicContact CD2-CB 4.01Å; Y86-V108 HydrophobicContact CD2-CG2 3.94Å; Y86-V108 HydrophobicContact CE2-CB 3.99Å; Y86-V108 HydrophobicContact CE2-CG2 4.38Å
87Y94.2Very high81.1Confident44 Ų4475.9 Ų75.917%0.17336%0.359CS..EExtended strand (participates in β ladder)trans-117.7147.5179.7-56.5-88.9000110.6W28 V29 Q31 I85 W102W28-Y87 WeakPolarHBondContact CA-O 3.5Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 3.18Å; Q31-Y87 HydrophobicContact CB-CD2 4.37Å; Q31-Y87 HydrophobicContact CB-CE2 3.71Å; Q31-Y87 VanDerWaalsContact OE1-CE2 3.3Å; Q31-Y87 PolarHBondContact OE1-OH 3.4Å; I85-Y87 HydrophobicContact CB-CE2 3.88Å; I85-Y87 HydrophobicContact CG2-CD1 4.48Å; I85-Y87 HydrophobicContact CG2-CD2 4.23Å; I85-Y87 HydrophobicContact CG2-CE1 3.83Å; I85-Y87 HydrophobicContact CG2-CE2 3.54Å; I85-Y87 WeakPolarHBondContact CG2-OH 3.38Å; Y87-W102 HydrophobicContact CD1-CE3 4.45Å; Y87-W102 HydrophobicContact CD2-CZ3 4.45Å; Y87-W102 AromaticContact CG-CE3 3.98Å; Y87-W102 HydrophobicContact CG-CE3 3.98Å; Y87-W102 HydrophobicContact CG-CZ3 4.23Å
88C94.3Very high79.6Confident14 Ų1477.3 Ų77.310%0.09536%0.364CS..EExtended strand (participates in β ladder)trans-101.2146.4159.762.30000109.7C14 M26 H27 W28 W102 G103C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.03Å; C14-C88 WeakPolarHBondContact SG-CB 3.42Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.06Å; M26-C88 HydrophobicContact CG-CB 4.45Å; M26-C88 HydrophobicContact SD-CB 3.77Å; H27-C88 CarbonylContact O-C 3.52Å; H27-C88 WeakPolarHBondContact O-CA 3.2Å; W28-C88 HydrophobicContact CD2-CB 4.36Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.24Å; W28-C88 HydrophobicContact CZ2-CB 4.42Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å; C88-W102 WeakPolarHBondContact O-CA 3.34Å; C88-G103 PolarHBondContact O-N 2.85Å
89A92.7Very high78.4Confident1 Ų180.1 Ų80.11%0.00838%0.376CS..EExtended strand (participates in β ladder)trans-138.8137178.700000111.5M26 H27 F99 Y101 W102M26-A89 VanDerWaalsContact SD-O 3.38Å; H27-A89 HydrophobicContact CB-CB 4.46Å; H27-A89 PolarHBondContact N-O 3.06Å; H27-A89 PolarHBondContact O-N 2.83Å; A89-F99 HydrophobicContact CB-CB 4.16Å; A89-F99 HydrophobicContact CB-CD1 3.95Å; A89-F99 HydrophobicContact CB-CG 4.1Å; A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 3.21Å; A89-W102 HydrophobicContact CB-CD2 3.86Å; A89-W102 HydrophobicContact CB-CE3 4.05Å; A89-W102 HydrophobicContact CB-CG 4.31Å; A89-W102 HydrophobicContact CB-CH2 4.47Å; A89-W102 HydrophobicContact CB-CZ2 4.31Å; A89-W102 HydrophobicContact CB-CZ3 4.35Å
90R90Very high77.3Confident28 Ų2879.3 Ų79.311%0.10638%0.376CS..EExtended strand (participates in β ladder)trans-85.8123.8174.2-175.6-179.976178.10.7109.9Y19 Y24 I92 A100 Y101Y19-R90 HydrophobicContact CE2-CG 4.4Å; Y24-R90 HydrophobicContact CD1-CG 4.36Å; Y24-R90 HydrophobicContact CD2-CG 4.45Å; Y24-R90 HydrophobicContact CG-CG 3.92Å; R90-I92 VanDerWaalsContact NH2-CD1 3.3Å; R90-A100 PolarHBondContact O-N 3.4Å; R90-Y101 PolarHBondContact N-O 2.69Å
91E82.7Confident76.8Confident37 Ų3781.1 Ų81.117%0.17337%0.368CS..  trans-72.4141.2167.8-174.5175.9-153.900110Y24 N25 H27 Y93Y24-E91 WeakPolarHBondContact CD1-O 3.44Å; N25-E91 HydrophobicContact CB-CB 4.27Å; N25-E91 WeakPolarHBondContact CB-OE2 3.15Å; N25-E91 PolarHBondContact ND2-OE2 2.72Å; N25-E91 PolarHBondContact O-N 2.81Å; N25-E91 VanDerWaalsContact O-N 3.15Å; H27-E91 IonicContact NE2-OE2 2.56Å; H27-E91 PolarHBondContact NE2-OE2 2.8Å; E91-Y93 PolarHBondContact OE2-OH 3.21Å
92I72.7Confident76.7Confident24 Ų2478.9 Ų78.912%0.12335%0.353CS..  trans-131.4125.3170.6-63.6-173.8000108.5Y24 R90 Y94 A100 Y101Y24-I92 HydrophobicContact CD1-CG1 4.29Å; Y24-I92 HydrophobicContact CE1-CG1 4.08Å; Y24-I92 HydrophobicContact CE1-CG2 4.49Å; R90-I92 VanDerWaalsContact NH2-CD1 3.3Å; I92-Y94 HydrophobicContact CG2-CD2 3.42Å; I92-Y94 VanDerWaalsContact CG2-CD2 3.42Å; I92-Y94 HydrophobicContact CG2-CE2 4.17Å; I92-Y94 HydrophobicContact CG2-CG 4.25Å; I92-Y94 PolarHBondContact O-N 3.11Å; I92-A100 HydrophobicContact CB-CB 3.8Å; I92-A100 HydrophobicContact CD1-CB 3.14Å; I92-A100 HydrophobicContact CG1-CB 3.43Å; I92-A100 VanDerWaalsContact CG1-CB 3.43Å; I92-Y101 HydrophobicContact CD1-CD2 3.76Å; I92-Y101 HydrophobicContact CD1-CE2 3.57Å
93Y62Low76.4Confident162 Ų16279.8 Ų79.864%0.63536%0.364SS*.  trans-8148.3179.4-69.7-75.3000113.8N25 E91N25-Y93 PolarHBondContact ND2-OH 2.76Å; N25-Y93 VanDerWaalsContact ND2-OH 3.11Å; E91-Y93 PolarHBondContact OE2-OH 3.21Å
94Y55.1Low76.1Confident190 Ų19087.1 Ų87.175%0.74539%0.393SS*.SBendtrans-113.1153.7169.5-71.9-64.7000110.9I92 Y96I92-Y94 HydrophobicContact CG2-CD2 3.42Å; I92-Y94 VanDerWaalsContact CG2-CD2 3.42Å; I92-Y94 HydrophobicContact CG2-CE2 4.17Å; I92-Y94 HydrophobicContact CG2-CG 4.25Å; I92-Y94 PolarHBondContact O-N 3.11Å; Y94-Y96 PolarHBondContact O-N 2.92Å
95E51.1Low75.6Confident185 Ų18588.4 Ų88.486%0.86441%0.405SS*.THydrogen-bonded Turntrans-46.6-1.2-169.1-88.6-179.9146.900118.5
96Y50.8Low75.1Confident220 Ų22088.4 Ų88.486%0.86341%0.408SS*.THydrogen-bonded Turntrans-135.213.1-169.8-72.3-77.4000117.8Y94Y94-Y96 PolarHBondContact O-N 2.92Å
97G52.7Low74.6Confident39 Ų3991.8 Ų91.840%0.40243%0.426SS..  trans-174.6146.1172.700000118.3
98W60.6Low73.8Confident231 Ų23190.4 Ų90.488%0.87542%0.422SS*.SBendtrans-79.2-27.8-179.7-61.570.6000112.8
99F66.4Low72.8Confident66 Ų6694.2 Ų94.229%0.28944%0.438SS..  trans-144.4124.7174.4-59.4-58.4000109.1H27 A89 W102H27-F99 HydrophobicContact CB-CD1 4.22Å; H27-F99 HydrophobicContact CB-CE1 3.63Å; H27-F99 HydrophobicContact CB-CZ 4.3Å; H27-F99 AromaticContact CD2-CE1 3.7Å; H27-F99 AromaticContact CE1-CE1 3.82Å; H27-F99 AromaticContact CG-CE1 3.29Å; H27-F99 AromaticContact ND1-CE1 3.37Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.36Å; H27-F99 AromaticContact ND1-CZ 3.82Å; A89-F99 HydrophobicContact CB-CB 4.16Å; A89-F99 HydrophobicContact CB-CD1 3.95Å; A89-F99 HydrophobicContact CB-CG 4.1Å; F99-W102 HydrophobicContact CB-CZ2 4.02Å; F99-W102 HydrophobicContact CD2-CH2 4.36Å; F99-W102 AromaticContact CD2-CZ2 3.68Å; F99-W102 HydrophobicContact CD2-CZ2 3.68Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å
100A66.5Low71.8Confident46 Ų4699.1 Ų99.138%0.3846%0.461SS..  trans-102.4-26.7-173.300000114R90 I92R90-A100 PolarHBondContact O-N 3.4Å; I92-A100 HydrophobicContact CB-CB 3.8Å; I92-A100 HydrophobicContact CD1-CB 3.14Å; I92-A100 HydrophobicContact CG1-CB 3.43Å; I92-A100 VanDerWaalsContact CG1-CB 3.43Å
101Y76.4Confident70.7Confident145 Ų145103.1 Ų103.157%0.56948%0.481SS*.EExtended strand (participates in β ladder)trans-140.5129.2-178.7-66.1-96.5000109.9A89 R90 I92A89-Y101 CarbonylContact C-O 3.53Å; A89-Y101 VanDerWaalsContact CA-O 3.22Å; A89-Y101 WeakPolarHBondContact CA-O 3.21Å; R90-Y101 PolarHBondContact N-O 2.69Å; I92-Y101 HydrophobicContact CD1-CD2 3.76Å; I92-Y101 HydrophobicContact CD1-CE2 3.57Å
102W83.9Confident70Confident108 Ų108106.9 Ų106.941%0.40950%0.499SS..EExtended strand (participates in β ladder)trans-109.5139.5178.5-68.476.2000109.8V29 L37 Y87 C88 A89 F99V29-W102 HydrophobicContact CB-CH2 4Å; V29-W102 HydrophobicContact CB-CZ3 3.71Å; V29-W102 HydrophobicContact CG1-CH2 3.94Å; V29-W102 HydrophobicContact CG1-CZ3 3.9Å; V29-W102 HydrophobicContact CG2-CH2 3.68Å; V29-W102 HydrophobicContact CG2-CZ3 3.77Å; L37-W102 HydrophobicContact CD1-CH2 3.93Å; L37-W102 HydrophobicContact CD1-CZ2 4.44Å; L37-W102 HydrophobicContact CD1-CZ3 4.47Å; Y87-W102 HydrophobicContact CD1-CE3 4.45Å; Y87-W102 HydrophobicContact CD2-CZ3 4.45Å; Y87-W102 AromaticContact CG-CE3 3.98Å; Y87-W102 HydrophobicContact CG-CE3 3.98Å; Y87-W102 HydrophobicContact CG-CZ3 4.23Å; C88-W102 WeakPolarHBondContact O-CA 3.34Å; A89-W102 HydrophobicContact CB-CD2 3.86Å; A89-W102 HydrophobicContact CB-CE3 4.05Å; A89-W102 HydrophobicContact CB-CG 4.31Å; A89-W102 HydrophobicContact CB-CH2 4.47Å; A89-W102 HydrophobicContact CB-CZ2 4.31Å; A89-W102 HydrophobicContact CB-CZ3 4.35Å; F99-W102 HydrophobicContact CB-CZ2 4.02Å; F99-W102 HydrophobicContact CD2-CH2 4.36Å; F99-W102 AromaticContact CD2-CZ2 3.68Å; F99-W102 HydrophobicContact CD2-CZ2 3.68Å; F99-W102 HydrophobicContact CG-CZ2 4.01Å
103G82Confident69.9Low28 Ų28112.1 Ų112.129%0.28952%0.522SS..  trans-67166166.800000111.3C88 G105C88-G103 PolarHBondContact O-N 2.85Å; G103-G105 PolarHBondContact O-N 3.3Å
104Q84.8Confident70.4Confident206 Ų206108.8 Ų108.896%0.96352%0.515SS*.  trans-63.3-13.4-179.7-69.2-176.8-33.900114
105G80.3Confident71.5Confident26 Ų26103 Ų10327%0.26850%0.498SS..  trans80.6154.2-176.600000112.4Y86 G103Y86-G105 CarbonylContact O-C 3.54Å; Y86-G105 WeakPolarHBondContact O-CA 3.5Å; G103-G105 PolarHBondContact O-N 3.3Å
106T84Confident73.1Confident54 Ų5496.7 Ų96.733%0.33147%0.47SS..EExtended strand (participates in β ladder)trans-128.8122172.1-63.70000108.7Y86 V108Y86-T106 PolarHBondContact N-O 3.38Å; Y86-T106 PolarHBondContact O-N 2.82Å; T106-V108 HydrophobicContact CG2-CG2 3.95Å
107L83Confident74.9Confident73 Ų7386.4 Ų86.438%0.38244%0.437SS..EExtended strand (participates in β ladder)trans-73.7123.9168.7179.664.8000108.7P1 E2 I85P1-L107 CarbonylContact C-O 3.46Å; P1-L107 WeakPolarHBondContact CA-O 3.13Å; P1-L107 HydrophobicContact CB-CB 4.39Å; P1-L107 HydrophobicContact CB-CD2 4.45Å; E2-L107 PolarHBondContact N-O 2.86Å; I85-L107 HydrophobicContact CG1-CB 4.4Å; I85-L107 HydrophobicContact CG1-CD1 3.93Å
108V78.5Confident76.9Confident15 Ų1590.7 Ų90.79%0.09144%0.441CS..  trans-122.60175.3-173.60000109.3E2 V4 V10 M12 M78 S83 A84 Y86 T106E2-V108 HydrophobicContact CB-CG2 4.42Å; E2-V108 WeakPolarHBondContact O-CA 3.45Å; E2-V108 VanDerWaalsContact O-OXT 3.1Å; V4-V108 HydrophobicContact CG2-CG1 3.46Å; V4-V108 VanDerWaalsContact CG2-CG1 3.46Å; V10-V108 HydrophobicContact CB-CG1 4.39Å; V10-V108 HydrophobicContact CG1-CG1 4.13Å; V10-V108 HydrophobicContact CG1-CG2 4.46Å; V10-V108 HydrophobicContact CG2-CG1 3.92Å; M12-V108 HydrophobicContact CE-CG2 4.11Å; M78-V108 HydrophobicContact CE-CG1 3.68Å; S83-V108 VanDerWaalsContact CA-O 3.23Å; S83-V108 WeakPolarHBondContact CA-O 3.18Å; S83-V108 PolarHBondContact OG-O 2.96Å; A84-V108 PolarHBondContact N-O 3.17Å; A84-V108 VanDerWaalsContact N-O 3.1Å; A84-V108 PolarHBondContact O-N 3.4Å; Y86-V108 HydrophobicContact CD2-CB 4.01Å; Y86-V108 HydrophobicContact CD2-CG2 3.94Å; Y86-V108 HydrophobicContact CE2-CB 3.99Å; Y86-V108 HydrophobicContact CE2-CG2 4.38Å; T106-V108 HydrophobicContact CG2-CG2 3.95Å

Retrieved 108 of 108 residues in 21.8 ms (Link to these results)

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