X5J538_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J538, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 105 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
1A78.8Confident92.5Very high116 Ų11676.3 Ų76.396%0.95946%0.462SS*.  0144.5000000108.2T100A1-T100 CarbonylContact C-O 3.58Å; A1-T100 WeakPolarHBondContact CA-O 3.48Å
2E87.1Confident92.9Very high74 Ų7470.4 Ų70.435%0.34643%0.426SS..EExtended strand (participates in β ladder)trans-129.6128.5-174.3-167.6167176.500109.8V4 V10 T100 L101 T102E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 HydrophobicContact CG-CG2 4.39Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; E2-T100 PolarHBondContact N-O 3.25Å; E2-L101 HydrophobicContact CB-CD1 4.01Å; E2-L101 HydrophobicContact CG-CD1 4.28Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; E2-T102 PolarHBondContact O-N 2.94Å
3L92.5Very high93.1Very high125 Ų12570.8 Ų70.865%0.65443%0.434SS*.EExtended strand (participates in β ladder)trans-110.7120.8-179.8-178.367.3000108.7T102 S104L3-T102 WeakPolarHBondContact CA-O 3.37Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; L3-S104 WeakPolarHBondContact CD1-OG 3.36Å
4V94.2Very high93.2Very high20 Ų2066.8 Ų66.812%0.12141%0.41CS..EExtended strand (participates in β ladder)trans-135.4154.8-174.5-61.50000111.6E2 A8 L78 L101 T102 V103 S104E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-A8 HydrophobicContact CB-CB 4.31Å; V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; V4-L101 HydrophobicContact CG1-CD1 4.36Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V4-T102 PolarHBondContact N-O 3.29Å; V4-V103 HydrophobicContact CG2-CB 4.4Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.84Å; V4-V103 WeakPolarHBondContact O-CA 3.16Å; V4-S104 PolarHBondContact O-N 2.63Å
5K93.8Very high93.2Very high148 Ų14873 Ų7364%0.64343%0.429SS*.  trans-80.4151.3175.6-65.4-175.5178.9-1760110.8A8K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.16Å
6P95Very high93.1Very high74 Ų7469 Ų6948%0.48141%0.407SS..THydrogen-bonded Turntrans-52.7141.4169.5-2533.9000112A8 L78 V103P6-A8 PolarHBondContact O-N 3.3Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; P6-V103 HydrophobicContact CB-CG1 4.44Å; P6-V103 HydrophobicContact CG-CG1 4.18Å
7G93.6Very high92.8Very high53 Ų5370.8 Ų70.855%0.54642%0.424SS..THydrogen-bonded Turntrans82.5-12-176.900000114.9L78G7-L78 PolarHBondContact N-O 3.34Å
8A94.8Very high92.4Very high35 Ų3572 Ų7229%0.28945%0.453SS..  trans-67.7165.9175.300000112V4 K5 P6 S77 L78V4-A8 HydrophobicContact CB-CB 4.31Å; K5-A8 WeakPolarHBondContact O-CB 3.25Å; K5-A8 PolarHBondContact O-N 3.02Å; K5-A8 VanDerWaalsContact O-N 3.16Å; P6-A8 PolarHBondContact O-N 3.3Å; A8-S77 PolarHBondContact O-N 2.85Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 3.32Å
9S95.7Very high92Very high71 Ų7171.6 Ų71.650%0.49744%0.442SS..  trans-116.7145.2169.5-57.40000109.6L75 S76S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.14Å; S9-S76 WeakPolarHBondContact OG-CA 3.37Å
10V95.8Very high91.9Very high5 Ų572.4 Ų72.43%0.0345%0.447CS..EExtended strand (participates in β ladder)trans-126149.2178.963.70000110.1E2 L12 Q74 L75 L78 L101E2-V10 HydrophobicContact CG-CG2 4.39Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.31Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.45Å; V10-L12 HydrophobicContact CG2-CD2 3.79Å; V10-L12 HydrophobicContact CG2-CG 4.31Å; V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.27Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.42Å; V10-L75 PolarHBondContact N-O 3.23Å; V10-L75 PolarHBondContact O-N 2.97Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L101 HydrophobicContact CB-CD1 4.43Å; V10-L101 HydrophobicContact CG1-CD1 4.22Å; V10-L101 HydrophobicContact CG1-CD2 3.97Å; V10-L101 HydrophobicContact CG2-CD1 4.28Å
11K96.6Very high91.9Very high118 Ų11869 Ų6951%0.51343%0.426SS..EExtended strand (participates in β ladder)trans-122.8105.1171.6-174.5177.6177.8-179.10109.8Y72K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12L96.5Very high92.6Very high6 Ų666.1 Ų66.13%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-83.2146.2174.6-54.9-179.8000109.8V10 W28 Y72 L73 Y86 T99V10-L12 HydrophobicContact CG2-CD2 3.79Å; V10-L12 HydrophobicContact CG2-CG 4.31Å; L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 2.99Å; L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.34Å; L12-L73 PolarHBondContact N-O 3.16Å; L12-L73 PolarHBondContact O-N 2.87Å; L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; L12-T99 HydrophobicContact CD2-CG2 3.88Å
13S95.8Very high92.8Very high75 Ų7566.1 Ų66.152%0.52441%0.405SS..EExtended strand (participates in β ladder)trans-123148.5178.263.60000111.3A71S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å
14C94.8Very high92.6Very high15 Ų1564.2 Ų64.210%0.10139%0.39CS..EExtended strand (participates in β ladder)trans-139.51111751770000109.4W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.87Å; C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å
15K93.7Very high92.6Very high160 Ų16068.2 Ų68.270%0.69640%0.403SS*.EExtended strand (participates in β ladder)trans-90.3122.8179.8-170175.9-176.81770110.1
16A90.3Very high92.7Very high9 Ų961.3 Ų61.37%0.07437%0.373CS..  trans-72.3141.9173.200000110.8Y19 F21 N69A16-Y19 HydrophobicContact CB-CE1 4.03Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.99Å; A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.38Å
17S88.1Confident92.7Very high100 Ų10058.3 Ų58.370%0.69935%0.352SS*.  trans-147.2146.117665.10000110.3Y19S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 WeakPolarHBondContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CE1 3.25Å; S17-Y19 PolarHBondContact O-N 2.81Å
18G86.1Confident92.9Very high92 Ų9256 Ų5695%0.94833%0.327SS*.SBendtrans80.85.5177.500000115.8
19Y85.3Confident92.9Very high64 Ų6454.5 Ų54.525%0.25131%0.314SS..SBendtrans-155.6165.6176.563.4-89000112.1A16 S17 F21 Y24 M26 N90A16-Y19 HydrophobicContact CB-CE1 4.03Å; A16-Y19 HydrophobicContact CB-CE2 3.92Å; A16-Y19 VanDerWaalsContact CB-CZ 3.47Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.35Å; S17-Y19 VanDerWaalsContact C-N 3.34Å; S17-Y19 WeakPolarHBondContact O-CD1 3.31Å; S17-Y19 WeakPolarHBondContact O-CE1 3.25Å; S17-Y19 PolarHBondContact O-N 2.81Å; Y19-F21 PolarHBondContact O-N 2.81Å; Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CG-CD2 4.26Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; Y19-N90 WeakPolarHBondContact CE1-ND2 3.48Å
20T90.5Very high93Very high87 Ų8751.2 Ų51.253%0.53429%0.291SS..  trans-71107.9173.1-56.10000110T22 S23T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.06Å
21F90.9Very high93Very high2 Ų254.2 Ų54.21%0.00931%0.305CS..G310 helixtrans-54.6-37.6-172.8179.3-129.8000113.8A16 Y19 S23 M26 P45 A64 N69 A71A16-F21 HydrophobicContact CB-CB 4.07Å; A16-F21 HydrophobicContact CB-CD2 3.35Å; A16-F21 HydrophobicContact CB-CE2 4.06Å; A16-F21 HydrophobicContact CB-CG 3.99Å; Y19-F21 PolarHBondContact O-N 2.81Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.45Å; F21-M26 HydrophobicContact CE2-CE 4.05Å; F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.27Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; F21-A64 HydrophobicContact CE1-CB 4.09Å; F21-A64 HydrophobicContact CZ-CB 4.03Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.19Å; F21-N69 HydrophobicContact CG-CB 4.12Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.02Å
22T93.1Very high92.8Very high55 Ų5551.1 Ų51.134%0.33729%0.29SS..G310 helixtrans-75.7-9.6179.453.80000114.4T20 Y24 P45 T66T20-T22 PolarHBondContact O-N 2.99Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; T22-P45 HydrophobicContact CG2-CB 4.44Å; T22-T66 HydrophobicContact CG2-CG2 3.65Å
23S91.2Very high92.5Very high75 Ų7556.3 Ų56.352%0.52432%0.324SS..G310 helixtrans-82.2-9179.4-600000113.6T20 F21T20-S23 WeakPolarHBondContact CB-OG 3.47Å; T20-S23 WeakPolarHBondContact CG2-OG 3.34Å; T20-S23 WeakPolarHBondContact O-CB 3.27Å; T20-S23 PolarHBondContact O-N 3.06Å; F21-S23 VanDerWaalsContact C-N 3.28Å; F21-S23 PolarHBondContact O-N 3.45Å
24Y89.9Confident92.2Very high85 Ų8557.1 Ų57.133%0.33334%0.344SS..SBendtrans-138.8144.9-172.8-59.6-79.7000112Y19 T22 P45 W91Y19-Y24 AromaticContact CD2-CD2 3.48Å; Y19-Y24 HydrophobicContact CD2-CD2 3.48Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.48Å; Y19-Y24 AromaticContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CE2 3.96Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CE2-CD2 3.96Å; Y19-Y24 HydrophobicContact CG-CD2 4.26Å; Y19-Y24 HydrophobicContact CG-CE2 4.35Å; T22-Y24 VanDerWaalsContact C-N 3.3Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; Y24-W91 AromaticContact CD1-CE3 3.54Å; Y24-W91 HydrophobicContact CD1-CE3 3.54Å; Y24-W91 AromaticContact CD1-CZ3 3.95Å; Y24-W91 HydrophobicContact CD1-CZ3 3.95Å; Y24-W91 AromaticContact CE1-CE3 3.38Å; Y24-W91 HydrophobicContact CE1-CE3 3.38Å; Y24-W91 AromaticContact CE1-CZ3 3.52Å; Y24-W91 HydrophobicContact CE1-CZ3 3.52Å
25W93.8Very high92Very high103 Ų10361 Ų6139%0.3936%0.361SS..PPolyproline II helixtrans-71.6138.5169.2-61.9-15000110.6V43 D44W25-V43 WeakPolarHBondContact CA-O 2.98Å; W25-D44 VanDerWaalsContact CD1-CB 3.49Å; W25-D44 VanDerWaalsContact CD1-CG 3.49Å; W25-D44 HydrophobicContact CG-CB 4.49Å; W25-D44 VanDerWaalsContact NE1-CG 3.28Å; W25-D44 PolarHBondContact NE1-OD2 2.91Å
26M94.7Very high91.9Very high3 Ų356 Ų562%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-97.7117.3172.8-17561.263.500109.4Y19 F21 R42 V43 A71 C88Y19-M26 WeakPolarHBondContact OH-CE 3.39Å; F21-M26 HydrophobicContact CE2-CE 4.05Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.03Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; M26-V43 HydrophobicContact CB-CG1 4.07Å; M26-V43 PolarHBondContact N-O 3.07Å; M26-V43 PolarHBondContact O-N 2.88Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 3.55Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.74Å
27H96Very high92.1Very high11 Ų1160.2 Ų60.25%0.05138%0.375CS..EExtended strand (participates in β ladder)trans-94.8146.2178.3-68.7-110.1000110.6W39 G41 C88 A89 F92H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-CE2 3.94Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; H27-G41 WeakPolarHBondContact CA-O 3.37Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.43Å; H27-F92 AromaticContact CE1-CE2 3.8Å; H27-F92 AromaticContact CE1-CZ 3.53Å; H27-F92 AromaticContact ND1-CE1 3.87Å; H27-F92 AromaticContact ND1-CZ 3.39Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.47Å
28W96.9Very high92.5Very high5 Ų557.4 Ų57.42%0.01935%0.351CS..EExtended strand (participates in β ladder)trans-117135171.5-72.996.4000110.4L12 C14 I40 G41 A71 L73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.07Å; L12-W28 HydrophobicContact CB-CZ3 4.1Å; C14-W28 HydrophobicContact CB-CH2 3.76Å; C14-W28 HydrophobicContact CB-CZ2 3.89Å; W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.9Å; W28-G41 PolarHBondContact N-O 2.8Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.72Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.01Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.94Å; W28-L73 HydrophobicContact CZ3-CD2 4.31Å; W28-Y87 WeakPolarHBondContact CA-O 3.07Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å
29V96.4Very high93Very high4 Ų456.1 Ų56.12%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-136.7137.1-173.8-176.80000109.4L37 E38 Y86 Y87 W95V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; V29-E38 CarbonylContact C-O 3.38Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 3.39Å; V29-W95 HydrophobicContact CB-CH2 4.2Å; V29-W95 HydrophobicContact CB-CZ3 3.96Å; V29-W95 HydrophobicContact CG1-CH2 4.1Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.92Å; V29-W95 HydrophobicContact CG2-CZ3 4.06Å
30K95.9Very high93.5Very high1 Ų153 Ų530%0.00431%0.305CS..EExtended strand (participates in β ladder)trans-103.7138.1173.9-179.1179.6-179.7175.90109.5E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 3.41Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; K30-E81 PolarHBondContact NZ-O 3.01Å; K30-D82 IonicContact NZ-OD1 2.97Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å
31Q96Very high93.8Very high68 Ų6848.9 Ų48.932%0.31828%0.28SS..EExtended strand (participates in β ladder)trans-128.8115171.7-167.3-178.631.400110.1L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 3.02Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å
32R93.9Very high94.1Very high54 Ų5451 Ų5120%0.20429%0.288CS..  trans-85.8149.5170.6-63.2-166.5-172.5103.2-5.4110.6G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 3.46Å; R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; R32-E38 IonicContact CZ-OE2 3.32Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 IonicContact NH1-OE2 3.82Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.81Å; R32-A84 HydrophobicContact CG-CB 4.18Å
33P89Confident94.3Very high114 Ų11448.4 Ų48.474%0.7427%0.272SS*.THydrogen-bonded Turntrans-53.4125.8173.1-25.134.4000111.4Q35P33-Q35 PolarHBondContact O-N 3.02Å
34G89.6Confident94.5Very high92 Ų9245.9 Ų45.995%0.94825%0.253SS*.THydrogen-bonded Turntrans735.8-179.800000115.7R32R32-G34 PolarHBondContact O-N 3.46Å
35Q91.3Very high94.8Very high98 Ų9842.2 Ų42.246%0.45824%0.239SC..SBendtrans-113.7163.2175.4-57.3-173.56.100111.5R32 P33R32-Q35 HydrophobicContact CB-CB 4Å; R32-Q35 HydrophobicContact CB-CG 3.99Å; R32-Q35 VanDerWaalsContact NH1-OE1 3.07Å; R32-Q35 PolarHBondContact O-N 3.46Å; P33-Q35 PolarHBondContact O-N 3.02Å
36G91.9Very high94.8Very high54 Ų5440.3 Ų40.356%0.55725%0.246SC*.  trans-68.4175.4173.100000113.2
37L93.9Very high94.9Very high97 Ų9745.4 Ų45.451%0.50827%0.273SS..EExtended strand (participates in β ladder)trans-73.9126.7173.8-64.8171.3000110.2V29 Q31 W95V29-L37 HydrophobicContact CG1-CB 3.78Å; V29-L37 HydrophobicContact CG1-CD2 3.87Å; V29-L37 HydrophobicContact CG1-CG 4.33Å; Q31-L37 HydrophobicContact CB-CD2 3.89Å; Q31-L37 HydrophobicContact CG-CD2 3.94Å; L37-W95 HydrophobicContact CD1-CH2 3.73Å; L37-W95 HydrophobicContact CD1-CZ2 4.22Å; L37-W95 HydrophobicContact CD1-CZ3 4.43Å; L37-W95 HydrophobicContact CD2-CH2 4.42Å; L37-W95 HydrophobicContact CD2-CZ3 4.39Å
38E95.7Very high94.8Very high41 Ų4147 Ų4719%0.19229%0.293CS..EExtended strand (participates in β ladder)trans-106115.1175.1-62.6-174.199.200109.4V29 K30 R32 I40 F56V29-E38 CarbonylContact C-O 3.38Å; V29-E38 WeakPolarHBondContact CA-O 3.46Å; V29-E38 WeakPolarHBondContact CG1-O 3.4Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.93Å; K30-E38 PolarHBondContact O-N 3.41Å; R32-E38 IonicContact CZ-OE2 3.32Å; R32-E38 IonicContact NH1-OE1 3.56Å; R32-E38 IonicContact NH1-OE2 3.82Å; R32-E38 PolarHBondContact NH1-OE2 2.85Å; E38-I40 PolarHBondContact O-N 2.8Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.19Å
39W96Very high94.8Very high65 Ų6553.3 Ų53.325%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-73.2126176.3-178.169.9000110.4H27 G41 R42 K51 D53H27-W39 AromaticContact CG-NE1 3.91Å; H27-W39 AromaticContact ND1-CD1 3.89Å; H27-W39 AromaticContact ND1-CE2 3.94Å; H27-W39 AromaticContact ND1-NE1 3.1Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; H27-W39 VanDerWaalsContact ND1-NE1 3.1Å; W39-G41 PolarHBondContact NE1-O 2.83Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; W39-K51 HydrophobicContact CH2-CB 4.29Å; W39-K51 HydrophobicContact CH2-CD 4.17Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; W39-D53 HydrophobicContact CE3-CB 3.91Å; W39-D53 HydrophobicContact CZ3-CB 4.12Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.39Å
40I97.1Very high94.8Very high0 Ų055.2 Ų55.20%033%0.329CS..EExtended strand (participates in β ladder)trans-89.4-46.4-179-61.4174.1000110.2W28 K30 E38 D53 F56 A60 L73 Y86W28-I40 HydrophobicContact CB-CB 4.17Å; W28-I40 HydrophobicContact CB-CD1 4.36Å; W28-I40 WeakPolarHBondContact O-CB 3.39Å; W28-I40 PolarHBondContact O-N 2.9Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.8Å; I40-D53 PolarHBondContact O-N 2.95Å; I40-F56 HydrophobicContact CB-CD2 4.42Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.28Å; I40-F56 HydrophobicContact CG1-CE2 4.38Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.35Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; I40-A60 HydrophobicContact CG2-CB 3.76Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å
41G97Very high94.9Very high0 Ų060 Ų600%035%0.35CS..EExtended strand (participates in β ladder)trans167.6-175.5-171.400000112.6H27 W28 W39 K51H27-G41 WeakPolarHBondContact CA-O 3.37Å; W28-G41 PolarHBondContact N-O 2.8Å; W39-G41 PolarHBondContact NE1-O 2.83Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å
42R96.6Very high95Very high45 Ų4559 Ų5917%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-148.4160.3174.571.7-172.9-176.7-163.53.5111.7M26 W39 T50 K51M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.03Å; M26-R42 WeakPolarHBondContact O-CB 3.36Å; W39-R42 HydrophobicContact CZ2-CB 4.06Å; W39-R42 HydrophobicContact CZ2-CG 3.99Å; R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.81Å; R42-K51 PolarHBondContact O-N 2.74Å
43V97.1Very high95.1Very high1 Ų158.5 Ų58.51%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-126.114116860.50000110.1W25 M26 P45 Y49 T50 I62 A64 A71W25-V43 WeakPolarHBondContact CA-O 2.98Å; M26-V43 HydrophobicContact CB-CG1 4.07Å; M26-V43 PolarHBondContact N-O 3.07Å; M26-V43 PolarHBondContact O-N 2.88Å; V43-P45 WeakPolarHBondContact O-CD 3.06Å; V43-Y49 CarbonylContact C-O 3.6Å; V43-Y49 WeakPolarHBondContact CA-O 3.43Å; V43-T50 HydrophobicContact CB-CG2 3.94Å; V43-T50 HydrophobicContact CG2-CG2 3.84Å; V43-I62 HydrophobicContact CB-CG2 3.61Å; V43-I62 HydrophobicContact CG1-CG2 3.57Å; V43-A64 HydrophobicContact CG1-CB 4.07Å; V43-A64 HydrophobicContact CG2-CB 4.01Å; V43-A71 HydrophobicContact CG1-CB 4.5Å
44D96.3Very high95.5Very high23 Ų2358.1 Ų58.112%0.12334%0.343CS..  trans-88.4108.1164.4-174.5-18.3000108.8W25 A46 N47 G48 Y49W25-D44 VanDerWaalsContact CD1-CB 3.49Å; W25-D44 VanDerWaalsContact CD1-CG 3.49Å; W25-D44 HydrophobicContact CG-CB 4.49Å; W25-D44 VanDerWaalsContact NE1-CG 3.28Å; W25-D44 PolarHBondContact NE1-OD2 2.91Å; D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.2Å; D44-A46 PolarHBondContact OD1-N 2.95Å; D44-N47 WeakPolarHBondContact CB-OD1 3.19Å; D44-N47 PolarHBondContact O-N 3.11Å; D44-N47 PolarHBondContact OD2-ND2 3.06Å; D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.09Å; D44-Y49 PolarHBondContact N-O 2.87Å
45P95.4Very high95.6Very high7 Ų761.4 Ų61.45%0.04533%0.331CS..THydrogen-bonded Turntrans-67.4-16.8-178-18.833.8000113.6F21 T22 Y24 V43 A64 T66F21-P45 HydrophobicContact CD1-CB 3.76Å; F21-P45 HydrophobicContact CD1-CG 4.27Å; F21-P45 HydrophobicContact CD2-CB 4.45Å; F21-P45 HydrophobicContact CD2-CG 4.09Å; F21-P45 HydrophobicContact CE1-CB 3.55Å; F21-P45 HydrophobicContact CE1-CG 3.96Å; F21-P45 HydrophobicContact CE2-CB 4.26Å; F21-P45 HydrophobicContact CE2-CG 3.75Å; F21-P45 HydrophobicContact CG-CB 4.24Å; F21-P45 HydrophobicContact CG-CG 4.36Å; F21-P45 HydrophobicContact CZ-CB 3.82Å; F21-P45 HydrophobicContact CZ-CG 3.68Å; F21-P45 WeakPolarHBondContact O-CG 3.38Å; T22-P45 HydrophobicContact CG2-CB 4.44Å; Y24-P45 WeakPolarHBondContact O-CD 3.45Å; V43-P45 WeakPolarHBondContact O-CD 3.06Å; P45-A64 HydrophobicContact CB-CB 3.96Å; P45-A64 HydrophobicContact CG-CB 4.33Å; P45-T66 HydrophobicContact CB-CG2 4.47Å; P45-T66 WeakPolarHBondContact O-CG2 3.25Å
46A95.1Very high95.8Very high64 Ų6457.7 Ų57.753%0.52931%0.313SS..THydrogen-bonded Turntrans-72.1-33.6-179.900000113.1D44D44-A46 PolarHBondContact O-N 2.83Å; D44-A46 VanDerWaalsContact OD1-CB 3.28Å; D44-A46 WeakPolarHBondContact OD1-CB 3.2Å; D44-A46 PolarHBondContact OD1-N 2.95Å
47N95.1Very high95.9Very high109 Ų10961.2 Ų61.258%0.58332%0.315SS*.THydrogen-bonded Turntrans-135.1-2.1-17358.239000113.6D44 Y49D44-N47 WeakPolarHBondContact CB-OD1 3.19Å; D44-N47 PolarHBondContact O-N 3.11Å; D44-N47 PolarHBondContact OD2-ND2 3.06Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 3.1Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.49Å; N47-Y49 PolarHBondContact OD1-N 3.03Å
48G94.5Very high95.9Very high46 Ų4661.6 Ų61.647%0.47433%0.332SS..  trans75.86.7-179.900000114.6D44 T50D44-G48 VanDerWaalsContact O-CA 3.25Å; D44-G48 WeakPolarHBondContact O-CA 3.39Å; D44-G48 PolarHBondContact O-N 3.09Å; G48-T50 PolarHBondContact O-N 2.89Å
49Y96.4Very high95.8Very high136 Ų13662.1 Ų62.153%0.53333%0.334SS..  trans-62.4130179.1177-97.9000110.6V43 D44 N47 K51V43-Y49 CarbonylContact C-O 3.6Å; V43-Y49 WeakPolarHBondContact CA-O 3.43Å; D44-Y49 PolarHBondContact N-O 2.87Å; N47-Y49 VanDerWaalsContact C-N 3.25Å; N47-Y49 PolarHBondContact O-N 3.1Å; N47-Y49 WeakPolarHBondContact OD1-CB 3.49Å; N47-Y49 PolarHBondContact OD1-N 3.03Å; Y49-K51 HydrophobicContact CE1-CB 4.32Å
50T97.5Very high95.9Very high45 Ų4559.1 Ų59.128%0.27632%0.323SS..EExtended strand (participates in β ladder)trans-117.8146.3-179.950.70000111.5R42 V43 G48 Y52 I62R42-T50 VanDerWaalsContact O-CA 3.3Å; R42-T50 WeakPolarHBondContact O-CA 3.41Å; V43-T50 HydrophobicContact CB-CG2 3.94Å; V43-T50 HydrophobicContact CG2-CG2 3.84Å; G48-T50 PolarHBondContact O-N 2.89Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; T50-I62 HydrophobicContact CG2-CB 4.37Å; T50-I62 WeakPolarHBondContact CG2-O 3.47Å
51K97.3Very high95.9Very high100 Ų10062.4 Ų62.444%0.43534%0.343SS..EExtended strand (participates in β ladder)trans-133.3135.7169.9-171.5-176.3177.5178.60108.5W39 G41 R42 Y49W39-K51 HydrophobicContact CH2-CB 4.29Å; W39-K51 HydrophobicContact CH2-CD 4.17Å; W39-K51 HydrophobicContact CH2-CG 4.01Å; G41-K51 CarbonylContact C-O 3.54Å; G41-K51 WeakPolarHBondContact CA-O 3.33Å; R42-K51 HydrophobicContact CG-CB 4.19Å; R42-K51 PolarHBondContact N-O 2.81Å; R42-K51 PolarHBondContact O-N 2.74Å; Y49-K51 HydrophobicContact CE1-CB 4.32Å
52Y97.8Very high96Very high49 Ų4962.7 Ų62.719%0.19234%0.344CS..EExtended strand (participates in β ladder)trans-118154.1-178.4-61.2-90.6000110.6T50 A60 I62T50-Y52 WeakPolarHBondContact OG1-CE2 3.34Å; Y52-A60 HydrophobicContact CD1-CB 4.46Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.06Å; Y52-I62 HydrophobicContact CE1-CB 4.19Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.74Å; Y52-I62 PolarHBondContact OH-N 2.91Å
53D96.8Very high96Very high43 Ų4363.5 Ų63.523%0.2336%0.355CS..  trans-73.7133.1155.5-177.6-58.9000108.3W39 I40 K55 F56 Q57W39-D53 HydrophobicContact CE3-CB 3.91Å; W39-D53 HydrophobicContact CZ3-CB 4.12Å; W39-D53 VanDerWaalsContact O-CB 3.27Å; W39-D53 WeakPolarHBondContact O-CB 3.39Å; I40-D53 PolarHBondContact O-N 2.95Å; D53-K55 PolarHBondContact O-N 3.32Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.11Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.35Å; D53-K55 PolarHBondContact OD1-N 3.04Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 2.83Å; D53-Q57 PolarHBondContact O-N 3.24Å
54P96.1Very high96Very high106 Ų10665.1 Ų65.169%0.68837%0.368SS*.THydrogen-bonded Turntrans-51.8-30-178.7-28.835.7000114.5F56P54-F56 PolarHBondContact O-N 2.92Å
55K93.7Very high96Very high161 Ų16166.5 Ų66.570%0.738%0.376SS*.THydrogen-bonded Turntrans-62.8-30.2177.9-66174.7179177.50113.1D53D53-K55 PolarHBondContact O-N 3.32Å; D53-K55 VanDerWaalsContact OD1-CB 3.25Å; D53-K55 WeakPolarHBondContact OD1-CB 3.11Å; D53-K55 VanDerWaalsContact OD1-CG 3.31Å; D53-K55 WeakPolarHBondContact OD1-CG 3.35Å; D53-K55 PolarHBondContact OD1-N 3.04Å
56F95.1Very high95.9Very high19 Ų1969.7 Ų69.78%0.08340%0.395CS..THydrogen-bonded Turntrans-106.9-10.2-174.1-62.1-83.5000113.2K30 E38 I40 D53 P54 A58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.93Å; K30-F56 HydrophobicContact CD-CZ 4.16Å; E38-F56 HydrophobicContact CB-CE2 4.37Å; E38-F56 HydrophobicContact CB-CZ 4.19Å; I40-F56 HydrophobicContact CB-CD2 4.42Å; I40-F56 HydrophobicContact CB-CG 4.34Å; I40-F56 HydrophobicContact CG1-CD1 4.25Å; I40-F56 HydrophobicContact CG1-CD2 4.36Å; I40-F56 HydrophobicContact CG1-CE1 4.28Å; I40-F56 HydrophobicContact CG1-CE2 4.38Å; I40-F56 HydrophobicContact CG1-CG 4.28Å; I40-F56 HydrophobicContact CG1-CZ 4.35Å; I40-F56 HydrophobicContact CG2-CB 3.84Å; I40-F56 HydrophobicContact CG2-CD1 4.39Å; I40-F56 HydrophobicContact CG2-CG 4.02Å; D53-F56 HydrophobicContact CB-CD2 4.06Å; D53-F56 PolarHBondContact O-N 2.83Å; P54-F56 PolarHBondContact O-N 2.92Å; F56-A58 PolarHBondContact O-N 3.13Å; F56-A58 VanDerWaalsContact O-N 3.13Å; F56-K59 PolarHBondContact O-N 2.64Å; F56-A60 HydrophobicContact CB-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.16Å; F56-A60 PolarHBondContact O-N 2.89Å
57Q93.6Very high95.9Very high128 Ų12871.7 Ų71.760%0.59841%0.405SS*.THydrogen-bonded Turntrans-57.9-31.7-172.9-171.51742.100114.2D53 K59D53-Q57 PolarHBondContact O-N 3.24Å; Q57-K59 VanDerWaalsContact C-N 3.35Å
58A93.8Very high95.8Very high105 Ų10568.2 Ų68.287%0.86839%0.39SS*.THydrogen-bonded Turntrans-79.5-17.2177.700000113.7F56F56-A58 PolarHBondContact O-N 3.13Å; F56-A58 VanDerWaalsContact O-N 3.13Å
59K94.8Very high95.8Very high52 Ų5269.3 Ų69.323%0.22639%0.385CS..THydrogen-bonded Turntrans-115-28.4-168.7-122.5-173.6-179.3-178.50113.8F56 Q57 L75 S76 S77 T79 D82F56-K59 PolarHBondContact O-N 2.64Å; Q57-K59 VanDerWaalsContact C-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 WeakPolarHBondContact CG-O 3.26Å; K59-S76 PolarHBondContact O-N 3.21Å; K59-S76 PolarHBondContact O-OG 2.8Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 3.01Å; K59-T79 PolarHBondContact NZ-OG1 3.38Å; K59-D82 IonicContact NZ-OD1 3.71Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å
60A97.1Very high95.8Very high3 Ų363.4 Ų63.43%0.02536%0.362CS..EExtended strand (participates in β ladder)trans-107.3131.5-173.300000111.2I40 Y52 F56 L73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.76Å; Y52-A60 HydrophobicContact CD1-CB 4.46Å; Y52-A60 HydrophobicContact CE1-CB 4.41Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.47Å; F56-A60 HydrophobicContact CB-CB 4.18Å; F56-A60 WeakPolarHBondContact O-CB 3.16Å; F56-A60 PolarHBondContact O-N 2.89Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.97Å
61T97.9Very high95.8Very high69 Ų6961.2 Ų61.242%0.42335%0.349SS..EExtended strand (participates in β ladder)trans-118.9119167.9-58.80000108.2T63 Q74T61-T63 HydrophobicContact CG2-CG2 4.29Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 3.01Å
62I97.9Very high95.8Very high5 Ų558.8 Ų58.83%0.02634%0.338CS..EExtended strand (participates in β ladder)trans-104.9132.1178.9-58.6166.5000109V43 T50 Y52 Y72 L73V43-I62 HydrophobicContact CB-CG2 3.61Å; V43-I62 HydrophobicContact CG1-CG2 3.57Å; T50-I62 HydrophobicContact CG2-CB 4.37Å; T50-I62 WeakPolarHBondContact CG2-O 3.47Å; Y52-I62 HydrophobicContact CD1-CD1 4.06Å; Y52-I62 HydrophobicContact CE1-CB 4.19Å; Y52-I62 HydrophobicContact CE1-CD1 3.69Å; Y52-I62 HydrophobicContact CE1-CG1 3.74Å; Y52-I62 PolarHBondContact OH-N 2.91Å; I62-Y72 WeakPolarHBondContact CA-O 3.05Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å
63T97.2Very high95.8Very high62 Ų6256.5 Ų56.538%0.3833%0.329SS..EExtended strand (participates in β ladder)trans-136.2164.9175.560.20000111.3T61 A71 Y72T61-T63 HydrophobicContact CG2-CG2 4.29Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.43Å; T63-Y72 PolarHBondContact N-O 2.8Å; T63-Y72 PolarHBondContact O-N 2.96Å
64A96.8Very high95.8Very high36 Ų3658.6 Ų58.630%0.29834%0.337SS..EExtended strand (participates in β ladder)trans-135.6140.1175.300000110.3F21 V43 P45F21-A64 HydrophobicContact CE1-CB 4.09Å; F21-A64 HydrophobicContact CZ-CB 4.03Å; V43-A64 HydrophobicContact CG1-CB 4.07Å; V43-A64 HydrophobicContact CG2-CB 4.01Å; P45-A64 HydrophobicContact CB-CB 3.96Å; P45-A64 HydrophobicContact CG-CB 4.33Å
65D95.9Very high95.9Very high51 Ų5153.7 Ų53.727%0.27331%0.305SS..EExtended strand (participates in β ladder)trans-117.6109.6172.5174.411.4000108.8S67 S68 N69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; D65-S67 PolarHBondContact OD2-OG 3.04Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.3Å; D65-N69 WeakPolarHBondContact O-CA 3.13Å; D65-N69 PolarHBondContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 2.82Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66T94.3Very high96Very high74 Ų7447.9 Ų47.945%0.45429%0.285SS..THydrogen-bonded Turntrans-76.1-21.3-178.555.40000112.7T22 P45 S68 N69T22-T66 HydrophobicContact CG2-CG2 3.65Å; P45-T66 HydrophobicContact CB-CG2 4.47Å; P45-T66 WeakPolarHBondContact O-CG2 3.25Å; T66-S68 VanDerWaalsContact C-N 3.34Å; T66-N69 PolarHBondContact O-OD1 2.81Å
67S93.4Very high96Very high107 Ų10750.5 Ų50.575%0.74831%0.306SS*.THydrogen-bonded Turntrans-69.9-35.2177.374.40000111.8D65D65-S67 VanDerWaalsContact C-N 3.33Å; D65-S67 WeakPolarHBondContact OD1-CB 3.17Å; D65-S67 PolarHBondContact OD1-N 3.38Å; D65-S67 PolarHBondContact OD1-OG 2.91Å; D65-S67 PolarHBondContact OD2-OG 3.04Å
68S95Very high96.1Very high36 Ų3644.5 Ų44.525%0.25228%0.278SS..THydrogen-bonded Turntrans-103.71.1179.166.70000113.6D65 T66 T70D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 3.3Å; T66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.35Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.91Å
69N94.3Very high96.1Very high69 Ų6942.1 Ų42.137%0.36925%0.252SS..THydrogen-bonded Turntrans49.841.2-172.6-66.5-42.1000112.8A16 F21 D65 T66A16-N69 HydrophobicContact CB-CB 4.47Å; A16-N69 PolarHBondContact N-O 3.38Å; F21-N69 HydrophobicContact CB-CB 3.95Å; F21-N69 VanDerWaalsContact CB-OD1 3.31Å; F21-N69 WeakPolarHBondContact CB-OD1 3.4Å; F21-N69 HydrophobicContact CD1-CB 4.19Å; F21-N69 HydrophobicContact CG-CB 4.12Å; D65-N69 WeakPolarHBondContact O-CA 3.13Å; D65-N69 PolarHBondContact O-N 3.11Å; T66-N69 PolarHBondContact O-OD1 2.81Å
70T95.9Very high96Very high11 Ų1143.7 Ų43.77%0.06727%0.27CS..EExtended strand (participates in β ladder)trans-123.1129-172.6-57.10000111C14 D65 S68 Y72C14-T70 CarbonylContact O-C 3.58Å; C14-T70 WeakPolarHBondContact O-CA 3.26Å; D65-T70 PolarHBondContact N-O 3.19Å; D65-T70 PolarHBondContact O-N 2.82Å; S68-T70 PolarHBondContact O-N 2.78Å; S68-T70 PolarHBondContact O-OG1 3.35Å; S68-T70 WeakPolarHBondContact OG-CB 3.2Å; S68-T70 PolarHBondContact OG-OG1 2.91Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å
71A96.4Very high95.7Very high0 Ų049.9 Ų49.90%030%0.298CS..EExtended strand (participates in β ladder)trans-94.4151.1167.700000110.4S13 C14 F21 M26 W28 V43 T63S13-A71 CarbonylContact C-O 3.37Å; S13-A71 WeakPolarHBondContact CA-O 2.99Å; C14-A71 PolarHBondContact N-O 2.94Å; C14-A71 PolarHBondContact O-N 2.87Å; F21-A71 HydrophobicContact CE2-CB 4.32Å; F21-A71 HydrophobicContact CZ-CB 4.02Å; M26-A71 HydrophobicContact CB-CB 4.03Å; M26-A71 HydrophobicContact CG-CB 3.55Å; W28-A71 HydrophobicContact CZ2-CB 4.36Å; V43-A71 HydrophobicContact CG1-CB 4.5Å; T63-A71 CarbonylContact O-C 3.54Å; T63-A71 WeakPolarHBondContact O-CA 3.43Å
72Y97.4Very high95.5Very high49 Ų4947.1 Ų47.119%0.19228%0.281CS..EExtended strand (participates in β ladder)trans-129144.5178.5-56.3-82.4000111.4K11 L12 I62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; L12-Y72 CarbonylContact O-C 3.59Å; L12-Y72 VanDerWaalsContact O-CA 3.22Å; L12-Y72 WeakPolarHBondContact O-CA 2.99Å; I62-Y72 WeakPolarHBondContact CA-O 3.05Å; T63-Y72 PolarHBondContact N-O 2.8Å; T63-Y72 PolarHBondContact O-N 2.96Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.21Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.94Å; T70-Y72 VanDerWaalsContact CG2-CZ 3.42Å
73L97.9Very high95.4Very high0 Ų049 Ų490%029%0.293CS..EExtended strand (participates in β ladder)trans-121.4113.1168170.266.9000107.7L12 W28 I40 A60 I62 L75 Y86L12-L73 HydrophobicContact CB-CB 4.44Å; L12-L73 HydrophobicContact CD1-CD2 4.34Å; L12-L73 PolarHBondContact N-O 3.16Å; L12-L73 PolarHBondContact O-N 2.87Å; W28-L73 HydrophobicContact CB-CD2 4.18Å; W28-L73 HydrophobicContact CD2-CB 3.49Å; W28-L73 VanDerWaalsContact CD2-CB 3.49Å; W28-L73 HydrophobicContact CD2-CD2 3.91Å; W28-L73 HydrophobicContact CD2-CG 4.26Å; W28-L73 HydrophobicContact CE3-CB 3.72Å; W28-L73 HydrophobicContact CE3-CD2 3.66Å; W28-L73 HydrophobicContact CE3-CG 4.34Å; W28-L73 HydrophobicContact CG-CB 4.01Å; W28-L73 HydrophobicContact CG-CD2 4.15Å; W28-L73 HydrophobicContact CG-CG 4.48Å; W28-L73 HydrophobicContact CH2-CB 3.96Å; W28-L73 HydrophobicContact CZ2-CB 3.76Å; W28-L73 HydrophobicContact CZ3-CB 3.94Å; W28-L73 HydrophobicContact CZ3-CD2 4.31Å; I40-L73 HydrophobicContact CD1-CD2 3.71Å; I40-L73 HydrophobicContact CG2-CD1 4.16Å; A60-L73 HydrophobicContact CB-CD1 3.83Å; I62-L73 HydrophobicContact CG1-CD1 3.82Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD1-CG 4.44Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.29Å; L73-L75 HydrophobicContact CG-CD2 4.18Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å
74Q97.6Very high95.4Very high87 Ų8746.2 Ų46.241%0.40728%0.276SS..EExtended strand (participates in β ladder)trans-97.1125.8171-176.3174.22.600109.2V10 A60 T61V10-Q74 CarbonylContact O-C 3.53Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.27Å; A60-Q74 CarbonylContact C-O 3.51Å; A60-Q74 WeakPolarHBondContact CA-O 3.43Å; T61-Q74 PolarHBondContact N-O 2.98Å; T61-Q74 PolarHBondContact O-N 3.01Å
75L96.9Very high95.4Very high4 Ų446 Ų462%0.02127%0.271CS..EExtended strand (participates in β ladder)trans-112.7129.2174.3-60.5166.6000108.4S9 V10 K59 A60 L73 L78 Y86 L101S9-L75 CarbonylContact C-O 3.51Å; S9-L75 WeakPolarHBondContact CA-O 2.98Å; S9-L75 WeakPolarHBondContact CB-O 3.14Å; V10-L75 HydrophobicContact CG1-CB 3.86Å; V10-L75 HydrophobicContact CG1-CD1 4.19Å; V10-L75 HydrophobicContact CG1-CG 4.42Å; V10-L75 PolarHBondContact N-O 3.23Å; V10-L75 PolarHBondContact O-N 2.97Å; K59-L75 WeakPolarHBondContact O-CA 3.3Å; A60-L75 HydrophobicContact CB-CD2 3.97Å; L73-L75 HydrophobicContact CD1-CD2 4.03Å; L73-L75 HydrophobicContact CD1-CG 4.44Å; L73-L75 HydrophobicContact CD2-CD1 4.34Å; L73-L75 HydrophobicContact CD2-CD2 4.29Å; L73-L75 HydrophobicContact CD2-CG 4.29Å; L73-L75 HydrophobicContact CG-CD2 4.18Å; L73-L75 HydrophobicContact CG-CG 4.1Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; L75-L101 HydrophobicContact CD1-CD2 4.16Å
76S96.4Very high95.5Very high38 Ų3843.7 Ų43.727%0.26626%0.258SS..  trans-106.1161.1179.158.90000112.2S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.37Å; K59-S76 WeakPolarHBondContact CE-O 3.38Å; K59-S76 WeakPolarHBondContact CG-O 3.26Å; K59-S76 PolarHBondContact O-N 3.21Å; K59-S76 PolarHBondContact O-OG 2.8Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.03Å
77S95.1Very high95.5Very high75 Ų7542.4 Ų42.452%0.52425%0.246SC..SBendtrans49.349.5171.7-58.40000113.3A8 K59A8-S77 PolarHBondContact O-N 2.85Å; K59-S77 WeakPolarHBondContact CE-O 3.4Å; K59-S77 PolarHBondContact NZ-O 3.01Å
78L95.1Very high95.6Very high2 Ų238 Ų381%0.0121%0.214CC..  trans-61.5140.3-172.5-70.6173.5000112.5V4 P6 G7 A8 V10 L75 S76 D82 L101 V103V4-L78 HydrophobicContact CB-CD1 4.46Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.56Å; P6-L78 WeakPolarHBondContact CA-O 3.39Å; G7-L78 PolarHBondContact N-O 3.34Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 WeakPolarHBondContact O-CG 3.36Å; A8-L78 PolarHBondContact O-N 3.32Å; V10-L78 HydrophobicContact CB-CD1 4.11Å; V10-L78 HydrophobicContact CG1-CD1 3.74Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.32Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 3.03Å; L78-D82 WeakPolarHBondContact CA-OD2 3.22Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; L78-L101 HydrophobicContact CD1-CD2 4.15Å; L78-L101 HydrophobicContact CD2-CD2 4Å; L78-V103 HydrophobicContact CB-CG1 4.21Å; L78-V103 HydrophobicContact CB-CG2 4.04Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å
79T94.6Very high95.5Very high54 Ų5436.3 Ų36.333%0.33120%0.203SC..  trans-120.5169.1174.760.90000110.4K59 E81 D82 V103K59-T79 PolarHBondContact NZ-OG1 3.38Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.02Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 WeakPolarHBondContact O-CG2 3.38Å
80S92.4Very high95.2Very high86 Ų8633.8 Ų33.860%0.60119%0.189SC*.G310 helixtrans-54.3-31.2175.650.20000112.6D82 T83S80-D82 PolarHBondContact O-N 2.98Å; S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.97Å; S80-T83 VanDerWaalsContact O-OG1 3.06Å
81E91.3Very high93.9Very high132 Ų13241.7 Ų41.762%0.61722%0.218SC*.G310 helixtrans-67-13.7176.2-59.7-178.1175.100114.5K30 R32 T79 T83K30-E81 PolarHBondContact NZ-O 3.01Å; R32-E81 PolarHBondContact NE-O 2.94Å; R32-E81 PolarHBondContact NH2-O 2.81Å; T79-E81 PolarHBondContact O-N 2.81Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-T83 VanDerWaalsContact C-N 3.31Å
82D94.2Very high92.5Very high11 Ų1146.8 Ų46.86%0.05924%0.24CC..G310 helixtrans-85.9-4.8174-61.8-44000113.2K30 K59 L78 T79 S80 A84 Y86 V103K30-D82 IonicContact NZ-OD1 2.97Å; K30-D82 PolarHBondContact NZ-OD1 2.84Å; K59-D82 IonicContact NZ-OD1 3.71Å; K59-D82 IonicContact NZ-OD2 2.64Å; K59-D82 PolarHBondContact NZ-OD2 2.81Å; L78-D82 WeakPolarHBondContact CA-OD2 3.22Å; L78-D82 HydrophobicContact CD2-CB 3.73Å; T79-D82 PolarHBondContact N-OD2 2.83Å; T79-D82 WeakPolarHBondContact O-CB 3.35Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.02Å; S80-D82 PolarHBondContact O-N 2.98Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V103 HydrophobicContact CB-CG2 4.2Å
83T95.8Very high91.2Very high46 Ų4651 Ų5128%0.28227%0.266SS..  trans-63.5111.3170.9-61.60000109.9S80 E81 L101 T102 V103S80-T83 VanDerWaalsContact O-CB 3.25Å; S80-T83 WeakPolarHBondContact O-CB 3.44Å; S80-T83 PolarHBondContact O-N 2.81Å; S80-T83 VanDerWaalsContact O-N 3.09Å; S80-T83 PolarHBondContact O-OG1 2.97Å; S80-T83 VanDerWaalsContact O-OG1 3.06Å; E81-T83 VanDerWaalsContact C-N 3.31Å; T83-L101 VanDerWaalsContact CA-O 3.27Å; T83-L101 WeakPolarHBondContact CA-O 3.42Å; T83-T102 HydrophobicContact CG2-CG2 4.42Å; T83-V103 PolarHBondContact OG1-N 2.89Å
84A96.6Very high90.4Very high3 Ų354.1 Ų54.13%0.02529%0.288CS..EExtended strand (participates in β ladder)trans-168.9170.9-172.200000110.4K30 Q31 R32 D82 Y86 L101K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.34Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.47Å; R32-A84 HydrophobicContact CG-CB 4.18Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-A84 VanDerWaalsContact O-N 3.11Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; A84-L101 PolarHBondContact N-O 2.63Å; A84-L101 PolarHBondContact O-N 3.05Å
85V96.9Very high90.1Very high31 Ų3154.6 Ų54.619%0.18829%0.286CS..EExtended strand (participates in β ladder)trans-93.7130.2162.7-168.50000108.7Q31 Y87Q31-V85 PolarHBondContact N-O 3.32Å; Q31-V85 PolarHBondContact O-N 3.02Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å
86Y97.1Very high89.7Confident3 Ų355.6 Ų55.61%0.01230%0.298CS..EExtended strand (participates in β ladder)trans-107.3125.3178.9-69.1-96.5000109.5L12 V29 K30 I40 L73 L75 D82 A84 G98 T99 L101L12-Y86 HydrophobicContact CD1-CD1 4.23Å; L12-Y86 HydrophobicContact CD1-CD2 4.12Å; L12-Y86 HydrophobicContact CD1-CG 3.69Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.27Å; K30-Y86 HydrophobicContact CB-CE1 4.01Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 WeakPolarHBondContact CE-OH 3.34Å; K30-Y86 HydrophobicContact CG-CD1 4.46Å; K30-Y86 HydrophobicContact CG-CE1 3.89Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.8Å; L73-Y86 HydrophobicContact CD2-CD1 3.96Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.34Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.38Å; A84-Y86 HydrophobicContact CB-CE2 3.79Å; Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.37Å; Y86-T99 PolarHBondContact N-O 3.21Å; Y86-T99 PolarHBondContact O-N 2.95Å; Y86-L101 HydrophobicContact CD2-CB 3.83Å; Y86-L101 HydrophobicContact CD2-CD2 4.32Å; Y86-L101 HydrophobicContact CE2-CB 3.69Å; Y86-L101 HydrophobicContact CE2-CD2 3.66Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å
87Y95.9Very high89.5Confident47 Ų4762.9 Ų62.918%0.18433%0.328CS..EExtended strand (participates in β ladder)trans-113.8148.6-178.9-60.7-86.6000110.5W28 V29 Q31 V85 W95 G98W28-Y87 WeakPolarHBondContact CA-O 3.07Å; V29-Y87 PolarHBondContact N-O 3.26Å; V29-Y87 PolarHBondContact O-N 3.39Å; Q31-Y87 HydrophobicContact CB-CD2 4.34Å; Q31-Y87 HydrophobicContact CB-CE2 3.82Å; Q31-Y87 PolarHBondContact OE1-OH 3.12Å; V85-Y87 HydrophobicContact CB-CE2 3.68Å; V85-Y87 HydrophobicContact CG1-CD2 4.22Å; V85-Y87 HydrophobicContact CG1-CE1 3.89Å; V85-Y87 HydrophobicContact CG1-CE2 3.51Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.36Å; Y87-W95 HydrophobicContact CD1-CE3 4.25Å; Y87-W95 HydrophobicContact CD2-CZ3 4.44Å; Y87-W95 AromaticContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CZ3 4.11Å; Y87-G98 VanDerWaalsContact CD1-CA 3.4Å
88C94.8Very high89.4Confident13 Ų1360.6 Ų60.69%0.08832%0.316CS..EExtended strand (participates in β ladder)trans-107.6149.9161.960.80000109.5C14 M26 H27 W28 G96C14-C88 HydrophobicContact CB-CB 3.44Å; C14-C88 VanDerWaalsContact CB-CB 3.44Å; C14-C88 WeakPolarHBondContact CB-SG 3.25Å; C14-C88 WeakPolarHBondContact SG-CB 3.45Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.77Å; M26-C88 HydrophobicContact CG-CB 4.47Å; M26-C88 HydrophobicContact SD-CB 3.74Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.01Å; W28-C88 HydrophobicContact CD2-CB 4.4Å; W28-C88 HydrophobicContact CE3-CB 4.21Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.46Å; W28-C88 HydrophobicContact CZ3-CB 4.17Å; C88-G96 PolarHBondContact O-N 2.99Å
89A92.9Very high89.4Confident2 Ų262.7 Ų62.72%0.01733%0.328CS..EExtended strand (participates in β ladder)trans-148.1146.4177.100000112.1H27 S94 W95H27-A89 PolarHBondContact N-O 3.36Å; H27-A89 PolarHBondContact O-N 3.43Å; A89-S94 WeakPolarHBondContact CA-O 3.35Å; A89-S94 WeakPolarHBondContact CB-O 3.36Å; A89-W95 HydrophobicContact CB-CD2 4.07Å; A89-W95 HydrophobicContact CB-CE3 4.35Å; A89-W95 HydrophobicContact CB-CG 4.36Å
90N86.9Confident89.4Confident16 Ų1663.1 Ų63.19%0.08633%0.331CS..EExtended strand (participates in β ladder)trans-107.2134.6164.768.5-16.9000109.3Y19 F92 D93 S94Y19-N90 WeakPolarHBondContact CE1-ND2 3.48Å; N90-F92 PolarHBondContact O-N 3.22Å; N90-D93 PolarHBondContact O-N 3.39Å; N90-S94 PolarHBondContact N-O 2.84Å; N90-S94 VanDerWaalsContact N-O 3.11Å; N90-S94 PolarHBondContact O-N 3.16Å; N90-S94 WeakPolarHBondContact OD1-CB 3.16Å; N90-S94 PolarHBondContact OD1-O 3.47Å; N90-S94 PolarHBondContact OD1-OG 3.35Å
91W70.5Confident89.6Confident176 Ų17659 Ų5967%0.66730%0.302SS*.THydrogen-bonded Turntrans53.711.1-180-148.8-71.3000115.8Y24 D93Y24-W91 AromaticContact CD1-CE3 3.54Å; Y24-W91 HydrophobicContact CD1-CE3 3.54Å; Y24-W91 AromaticContact CD1-CZ3 3.95Å; Y24-W91 HydrophobicContact CD1-CZ3 3.95Å; Y24-W91 AromaticContact CE1-CE3 3.38Å; Y24-W91 HydrophobicContact CE1-CE3 3.38Å; Y24-W91 AromaticContact CE1-CZ3 3.52Å; Y24-W91 HydrophobicContact CE1-CZ3 3.52Å; W91-D93 PolarHBondContact O-N 2.94Å
92F66.4Low89.8Confident107 Ų10755.2 Ų55.247%0.46929%0.288SS..THydrogen-bonded Turntrans62.1-6.4-171.3-54.1-79.4000116.6H27 N90 W95H27-F92 AromaticContact CE1-CE2 3.8Å; H27-F92 AromaticContact CE1-CZ 3.53Å; H27-F92 AromaticContact ND1-CE1 3.87Å; H27-F92 AromaticContact ND1-CZ 3.39Å; H27-F92 WeakPolarHBondContact ND1-CZ 3.47Å; N90-F92 PolarHBondContact O-N 3.22Å; F92-W95 PolarHBondContact O-NE1 2.84Å
93D70.4Confident89.8Confident137 Ų13755 Ų5573%0.73329%0.287SS*.THydrogen-bonded Turntrans-92.2-26177.6-69.2-34.1000113.1N90 W91N90-D93 PolarHBondContact O-N 3.39Å; W91-D93 PolarHBondContact O-N 2.94Å
94S81.6Confident89.6Confident66 Ų6655.3 Ų55.346%0.46229%0.292SS..EExtended strand (participates in β ladder)trans-116.8123.7173.3-14.90000111.3A89 N90A89-S94 WeakPolarHBondContact CA-O 3.35Å; A89-S94 WeakPolarHBondContact CB-O 3.36Å; N90-S94 PolarHBondContact N-O 2.84Å; N90-S94 VanDerWaalsContact N-O 3.11Å; N90-S94 PolarHBondContact O-N 3.16Å; N90-S94 WeakPolarHBondContact OD1-CB 3.16Å; N90-S94 PolarHBondContact OD1-O 3.47Å; N90-S94 PolarHBondContact OD1-OG 3.35Å
95W89.6Confident88.7Confident97 Ų9762.5 Ų62.537%0.36734%0.342SS..EExtended strand (participates in β ladder)trans-111140.9-177.6-68.871.3000110.6V29 L37 Y87 A89 F92V29-W95 HydrophobicContact CB-CH2 4.2Å; V29-W95 HydrophobicContact CB-CZ3 3.96Å; V29-W95 HydrophobicContact CG1-CH2 4.1Å; V29-W95 HydrophobicContact CG1-CZ3 4.1Å; V29-W95 HydrophobicContact CG2-CH2 3.92Å; V29-W95 HydrophobicContact CG2-CZ3 4.06Å; L37-W95 HydrophobicContact CD1-CH2 3.73Å; L37-W95 HydrophobicContact CD1-CZ2 4.22Å; L37-W95 HydrophobicContact CD1-CZ3 4.43Å; L37-W95 HydrophobicContact CD2-CH2 4.42Å; L37-W95 HydrophobicContact CD2-CZ3 4.39Å; Y87-W95 HydrophobicContact CD1-CE3 4.25Å; Y87-W95 HydrophobicContact CD2-CZ3 4.44Å; Y87-W95 AromaticContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CE3 3.93Å; Y87-W95 HydrophobicContact CG-CZ3 4.11Å; A89-W95 HydrophobicContact CB-CD2 4.07Å; A89-W95 HydrophobicContact CB-CE3 4.35Å; A89-W95 HydrophobicContact CB-CG 4.36Å; F92-W95 PolarHBondContact O-NE1 2.84Å
96G89.8Confident88.3Confident26 Ų2664.1 Ų64.127%0.26835%0.349SS..  trans-66.5163164.500000111.2C88 G98C88-G96 PolarHBondContact O-N 2.99Å; G96-G98 PolarHBondContact O-N 3.29Å
97Q90.6Very high87.8Confident191 Ų19167.3 Ų67.389%0.89337%0.367SS*.  trans-60.3-18.8179.3-65.5-64.9-54.500113.7
98G92.9Very high87.4Confident26 Ų2668.4 Ų68.427%0.26838%0.377SS..  trans82.6148.9-176.200000112.3Y86 Y87 G96Y86-G98 CarbonylContact O-C 3.52Å; Y86-G98 VanDerWaalsContact O-CA 3.25Å; Y86-G98 WeakPolarHBondContact O-CA 3.37Å; Y87-G98 VanDerWaalsContact CD1-CA 3.4Å; G96-G98 PolarHBondContact O-N 3.29Å
99T95.4Very high86.9Confident46 Ų4671.7 Ų71.728%0.28239%0.394SS..EExtended strand (participates in β ladder)trans-119.7115175.2-59.80000109L12 Y86 L101L12-T99 HydrophobicContact CD2-CG2 3.88Å; Y86-T99 PolarHBondContact N-O 3.21Å; Y86-T99 PolarHBondContact O-N 2.95Å; T99-L101 PolarHBondContact O-N 2.8Å
100T96.3Very high86.6Confident63 Ų6376.1 Ų76.139%0.38742%0.418SS..EExtended strand (participates in β ladder)trans-69119.8170.4-48.80000109.5A1 E2A1-T100 CarbonylContact C-O 3.58Å; A1-T100 WeakPolarHBondContact CA-O 3.48Å; E2-T100 PolarHBondContact N-O 3.25Å
101L95.3Very high86.5Confident0 Ų080.1 Ų80.10%044%0.44CS..EExtended strand (participates in β ladder)trans-107.7126.6170.5-179.968.3000108.2E2 V4 V10 L75 L78 T83 A84 Y86 T99 V103E2-L101 HydrophobicContact CB-CD1 4.01Å; E2-L101 HydrophobicContact CG-CD1 4.28Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; V4-L101 HydrophobicContact CG1-CD1 4.36Å; V4-L101 HydrophobicContact CG2-CD1 3.88Å; V10-L101 HydrophobicContact CB-CD1 4.43Å; V10-L101 HydrophobicContact CG1-CD1 4.22Å; V10-L101 HydrophobicContact CG1-CD2 3.97Å; V10-L101 HydrophobicContact CG2-CD1 4.28Å; L75-L101 HydrophobicContact CD1-CD2 4.16Å; L78-L101 HydrophobicContact CD1-CD2 4.15Å; L78-L101 HydrophobicContact CD2-CD2 4Å; T83-L101 VanDerWaalsContact CA-O 3.27Å; T83-L101 WeakPolarHBondContact CA-O 3.42Å; A84-L101 PolarHBondContact N-O 2.63Å; A84-L101 PolarHBondContact O-N 3.05Å; Y86-L101 HydrophobicContact CD2-CB 3.83Å; Y86-L101 HydrophobicContact CD2-CD2 4.32Å; Y86-L101 HydrophobicContact CE2-CB 3.69Å; Y86-L101 HydrophobicContact CE2-CD2 3.66Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å; T99-L101 PolarHBondContact O-N 2.8Å; L101-V103 HydrophobicContact CG-CG2 4.38Å
102T95.7Very high87.7Confident52 Ų5273.2 Ų73.232%0.31942%0.424SS..EExtended strand (participates in β ladder)trans-118.1123.7176-57.60000109.1E2 L3 V4 T83E2-T102 PolarHBondContact O-N 2.94Å; L3-T102 WeakPolarHBondContact CA-O 3.37Å; L3-T102 HydrophobicContact CD1-CG2 3.71Å; V4-T102 PolarHBondContact N-O 3.29Å; T83-T102 HydrophobicContact CG2-CG2 4.42Å
103V93.9Very high89.3Confident7 Ų770.6 Ų70.64%0.04242%0.421CS..EExtended strand (participates in β ladder)trans-108.9105.8177.6-170.50000108.8V4 P6 L78 T79 D82 T83 L101V4-V103 HydrophobicContact CG2-CB 4.4Å; V4-V103 HydrophobicContact CG2-CG1 4.42Å; V4-V103 HydrophobicContact CG2-CG2 3.84Å; V4-V103 WeakPolarHBondContact O-CA 3.16Å; P6-V103 HydrophobicContact CB-CG1 4.44Å; P6-V103 HydrophobicContact CG-CG1 4.18Å; L78-V103 HydrophobicContact CB-CG1 4.21Å; L78-V103 HydrophobicContact CB-CG2 4.04Å; L78-V103 HydrophobicContact CD1-CG2 4.33Å; T79-V103 WeakPolarHBondContact O-CB 3.41Å; T79-V103 WeakPolarHBondContact O-CG2 3.38Å; D82-V103 HydrophobicContact CB-CG2 4.2Å; T83-V103 PolarHBondContact OG1-N 2.89Å; L101-V103 HydrophobicContact CG-CG2 4.38Å
104S91.3Very high90.9Very high53 Ų5365.1 Ų65.137%0.37140%0.395SS..  trans-141.3149.3-179.566.80000111.7L3 V4L3-S104 WeakPolarHBondContact CD1-OG 3.36Å; V4-S104 PolarHBondContact O-N 2.63Å
105S78.3Confident91.7Very high154 Ų15465 Ų65100%1.07739%0.389SS*.  trans-73.7017556.60000112.7

Retrieved 105 of 105 residues in 24 ms (Link to these results)