X5J593_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J593, 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
1P71.9Confident89.8Confident147 Ų14783.8 Ų83.896%0.95546%0.464SS*.  0132.1014-30.6000107.7L103P1-L103 CarbonylContact C-O 3.54Å; P1-L103 WeakPolarHBondContact CA-O 3.48Å; P1-L103 HydrophobicContact CB-CB 4.24Å; P1-L103 HydrophobicContact CB-CD2 4.27Å
2E82.6Confident90.5Very high75 Ų7577.2 Ų77.235%0.3543%0.427SS..EExtended strand (participates in β ladder)trans-120117.5-174.1-161.1168.4177.900109.3V4 V10 L103 V104 T105E2-V4 HydrophobicContact CG-CG1 3.97Å; E2-V10 HydrophobicContact CG-CG2 4.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.16Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.16Å; E2-L103 PolarHBondContact N-O 3.42Å; E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.39Å; E2-T105 PolarHBondContact O-N 2.94Å
3L89.3Confident91Very high127 Ų12777.1 Ų77.167%0.66544%0.435SS*.EExtended strand (participates in β ladder)trans-100120.7178.8-175.568.1000108.6T105 S107L3-T105 WeakPolarHBondContact CA-O 3.48Å; L3-T105 HydrophobicContact CD1-CG2 3.95Å; L3-S107 WeakPolarHBondContact CD1-OG 2.87Å
4V90.4Very high91.5Very high17 Ų1772.6 Ų72.610%0.10341%0.411CS..EExtended strand (participates in β ladder)trans-134.3153.3-173-62.90000111.7E2 V8 L78 V104 T105 V106 S107E2-V4 HydrophobicContact CG-CG1 3.97Å; V4-V8 HydrophobicContact CB-CG2 3.71Å; V4-V8 HydrophobicContact CG1-CG2 4.22Å; V4-V8 HydrophobicContact CG2-CG2 4.32Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; V4-V104 HydrophobicContact CG2-CG1 4.15Å; V4-T105 PolarHBondContact N-O 3.46Å; V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.45Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 WeakPolarHBondContact O-CA 3.1Å; V4-S107 PolarHBondContact O-N 3.12Å; V4-S107 VanDerWaalsContact O-N 3.1Å
5R89.4Confident91.8Very high191 Ų19177.9 Ų77.972%0.72143%0.428SS*.  trans-81.3153.3174.1-65.5-178.1-177.9176.80.5110.5V8R5-V8 HydrophobicContact CB-CG1 4.42Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.41Å
6P92.1Very high92Very high73 Ų7373.6 Ų73.647%0.47441%0.407SS..THydrogen-bonded Turntrans-56.5145.4172.9-23.533.4000112.1V8 L78 V106 S107P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 2.84Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å; P6-V106 HydrophobicContact CB-CG1 4.37Å; P6-V106 HydrophobicContact CG-CG1 4.15Å; P6-S107 WeakPolarHBondContact CD-O 3.29Å
7G90.8Very high92Very high51 Ų5175.1 Ų75.153%0.52642%0.424SS..THydrogen-bonded Turntrans85.8-12176.200000115.3L78G7-L78 PolarHBondContact N-O 2.86Å
8V93.7Very high92Very high60 Ų6075.8 Ų75.836%0.36445%0.451SS..  trans-79.6158.4175.2-47.70000111.5V4 R5 P6 L78V4-V8 HydrophobicContact CB-CG2 3.71Å; V4-V8 HydrophobicContact CG1-CG2 4.22Å; V4-V8 HydrophobicContact CG2-CG2 4.32Å; R5-V8 HydrophobicContact CB-CG1 4.42Å; R5-V8 VanDerWaalsContact O-CG2 3.29Å; R5-V8 WeakPolarHBondContact O-CG2 3.41Å; P6-V8 VanDerWaalsContact C-N 3.31Å; P6-V8 PolarHBondContact O-N 2.84Å; V8-L78 WeakPolarHBondContact O-CB 3.4Å; V8-L78 WeakPolarHBondContact O-CG 3.19Å; V8-L78 PolarHBondContact O-N 2.9Å
9S95.4Very high92Very high60 Ų6074.6 Ų74.642%0.4244%0.438SS..  trans-93.8149.2168.2-57.10000110.3L75 A76S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; S9-A76 WeakPolarHBondContact OG-CA 3.37Å
10V95.7Very high92.2Very high3 Ų375 Ų752%0.01844%0.442CS..EExtended strand (participates in β ladder)trans-124.4143.3173.672.30000110.6E2 I12 E74 L75 L78E2-V10 HydrophobicContact CG-CG2 4.28Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.16Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.16Å; V10-I12 HydrophobicContact CG1-CG1 4.37Å; V10-E74 CarbonylContact O-C 3.54Å; V10-E74 VanDerWaalsContact O-CA 3.23Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 3.18Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD1 3.64Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L78 HydrophobicContact CG1-CG 4.41Å
11K96.9Very high92.3Very high118 Ų11871.8 Ų71.851%0.51342%0.422SS..EExtended strand (participates in β ladder)trans-114.3113.9176.5-172.6177.5-178178.70110.4Y72K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12I97.2Very high93.5Very high4 Ų466.8 Ų66.82%0.02139%0.389CS..EExtended strand (participates in β ladder)trans-98.3131.7179.3-49.5-175.7000108.8V10 W28 Y72 M73 L75 Y86 T102 V104V10-I12 HydrophobicContact CG1-CG1 4.37Å; I12-W28 HydrophobicContact CB-CH2 4.31Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 2.98Å; I12-Y72 CarbonylContact O-C 3.43Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; I12-M73 HydrophobicContact CD1-CE 3.8Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 2.95Å; I12-L75 HydrophobicContact CD1-CD1 4.17Å; I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.92Å; I12-Y86 HydrophobicContact CD1-CG 3.68Å; I12-T102 HydrophobicContact CG2-CG2 4.44Å; I12-V104 HydrophobicContact CD1-CG2 3.99Å
13S97.4Very high94Very high76 Ų7668.3 Ų68.353%0.53140%0.399SS..EExtended strand (participates in β ladder)trans-107.5143178.463.20000112.1A71 Y72S13-A71 CarbonylContact C-O 3.5Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å
14C97.5Very high94.2Very high14 Ų1464.5 Ų64.510%0.09538%0.377CS..EExtended strand (participates in β ladder)trans-132.7109.8171.7-178.40000110.2W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; C14-T70 WeakPolarHBondContact O-CA 3.21Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.82Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15K96.9Very high94.5Very high152 Ų15265.6 Ų65.666%0.66139%0.388SS*.EExtended strand (participates in β ladder)trans-92.1125.4-180-172.9173.6-175.8177.60110.7
16G94.3Very high94.9Very high10 Ų1056.7 Ų56.710%0.10335%0.354CS..  trans-73.7140171.700000111.7Y19 S69G16-Y19 WeakPolarHBondContact CA-OH 3.34Å; G16-S69 PolarHBondContact N-O 2.81Å
17S92.7Very high95.1Very high98 Ų9856.1 Ų56.169%0.68535%0.345SS*.  trans-145138.4178.662.20000111.4Y19S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å
18G92.2Very high95.5Very high89 Ų8953.8 Ų53.892%0.91832%0.32SS*.SBendtrans79.915.9175.600000115
19Y91.7Very high95.7Very high53 Ų5351.5 Ų51.521%0.20831%0.306CS..SBendtrans-157.2163.8174.865.2-82.8000110.3G16 S17 F21 Y24 R90G16-Y19 WeakPolarHBondContact CA-OH 3.34Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; Y19-R90 VanDerWaalsContact CZ-CD 3.49Å
20T95.1Very high95.7Very high82 Ų8249.1 Ų49.150%0.50329%0.288SS..  trans-68.4106.5170.7-54.80000109.1T22 D23T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.17Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 2.98Å
21F95.3Very high95.7Very high7 Ų751.6 Ų51.63%0.03130%0.3CS..G310 helixtrans-55-36.3-169.9176.1-113.8000113.9Y19 D23 M26 T45 V64 S69 A71Y19-F21 HydrophobicContact CE2-CD2 4.35Å; Y19-F21 PolarHBondContact O-N 2.97Å; Y19-F21 VanDerWaalsContact O-N 3.12Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.92Å; F21-M26 HydrophobicContact CE2-CE 3.86Å; F21-T45 HydrophobicContact CD1-CG2 4.42Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.87Å; F21-T45 HydrophobicContact CE2-CG2 3.86Å; F21-T45 HydrophobicContact CZ-CG2 3.54Å; F21-T45 PolarHBondContact O-OG1 3.23Å; F21-V64 HydrophobicContact CE1-CG2 3.41Å; F21-V64 VanDerWaalsContact CE1-CG2 3.41Å; F21-V64 HydrophobicContact CZ-CG2 3.84Å; F21-S69 WeakPolarHBondContact CE2-O 3.39Å; F21-A71 HydrophobicContact CZ-CB 4.07Å
22T96Very high95.3Very high42 Ų4247.1 Ų47.126%0.25828%0.283SS..G310 helixtrans-73.5-11.6-178.251.90000114.8T20 Y24 T45 Y46 K66T20-T22 PolarHBondContact O-N 3.42Å; T20-T22 VanDerWaalsContact O-N 3.11Å; T22-Y24 PolarHBondContact O-N 2.79Å; T22-T45 VanDerWaalsContact CA-OG1 3.28Å; T22-T45 WeakPolarHBondContact CA-OG1 3.48Å; T22-T45 PolarHBondContact O-OG1 2.84Å; T22-Y46 WeakPolarHBondContact O-CB 3.41Å; T22-K66 HydrophobicContact CG2-CG 4.44Å
23D94.2Very high94.5Very high107 Ų10754.2 Ų54.257%0.57232%0.316SS*.G310 helixtrans-78.7-9.7-177.8-67-1.6000112.5T20 F21T20-D23 VanDerWaalsContact CB-OD2 3.26Å; T20-D23 WeakPolarHBondContact CB-OD2 3.41Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.17Å; T20-D23 WeakPolarHBondContact O-CB 3.37Å; T20-D23 PolarHBondContact O-N 2.98Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 2.92Å
24Y93.6Very high93.4Very high48 Ų4854.7 Ų54.719%0.18833%0.325CS..SBendtrans-133.2135.9-172.6-62-84.8000112.2Y19 T22 T45 F91 Y92Y19-Y24 AromaticContact CD2-CD2 3.39Å; Y19-Y24 HydrophobicContact CD2-CD2 3.39Å; Y19-Y24 AromaticContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CE2 3.76Å; Y19-Y24 HydrophobicContact CD2-CG 4.42Å; Y19-Y24 AromaticContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CD2 3.66Å; Y19-Y24 HydrophobicContact CE2-CE2 4.45Å; Y19-Y24 HydrophobicContact CE2-CG 4.33Å; Y19-Y24 HydrophobicContact CG-CD2 4.38Å; Y19-Y24 HydrophobicContact CG-CE2 4.41Å; T22-Y24 PolarHBondContact O-N 2.79Å; Y24-T45 WeakPolarHBondContact O-CB 3.47Å; Y24-T45 WeakPolarHBondContact O-CG2 3.25Å; Y24-T45 PolarHBondContact O-OG1 3.09Å; Y24-F91 VanDerWaalsContact CD1-O 3.32Å; Y24-F91 WeakPolarHBondContact CD1-O 3.32Å; Y24-Y92 AromaticContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CE2 4.47Å; Y24-Y92 HydrophobicContact CE1-CG 4.11Å; Y24-Y92 AromaticContact CZ-CD2 3.61Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y24-Y92 WeakPolarHBondContact OH-CE2 3.45Å
25A96.1Very high92.1Very high40 Ų4062.3 Ų62.333%0.33136%0.356SS..PPolyproline II helixtrans-68.8148.7165.600000111.2V42 I43A25-V42 HydrophobicContact CB-CG2 3.55Å; A25-I43 CarbonylContact C-O 3.52Å; A25-I43 WeakPolarHBondContact CA-O 3.49Å
26M97.6Very high91.6Very high4 Ų457.8 Ų57.82%0.0234%0.344CS..EExtended strand (participates in β ladder)trans-103.9118.5176.8-170.365.770.100109.9F21 V42 I43 T45 A71 C88F21-M26 HydrophobicContact CE2-CE 3.86Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 WeakPolarHBondContact O-CA 3.44Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.09Å; M26-T45 HydrophobicContact CB-CG2 4.19Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.83Å; M26-C88 HydrophobicContact CG-CB 4.21Å; M26-C88 HydrophobicContact SD-CB 3.72Å
27H97.6Very high91.6Very high61 Ų6162 Ų6228%0.28236%0.363SS..EExtended strand (participates in β ladder)trans-92144.9175.4-65-105.2000110.3W39 G41 C88 A89H27-W39 AromaticContact ND1-NE1 3.33Å; H27-W39 PolarHBondContact ND1-NE1 2.56Å; H27-G41 WeakPolarHBondContact CA-O 3.3Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; H27-A89 WeakPolarHBondContact CB-O 3.3Å; H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å
28W98.1Very high91.7Very high2 Ų259.4 Ų59.41%0.00834%0.34CS..EExtended strand (participates in β ladder)trans-117.8135.1173.6-67.592.8000110.6I12 C14 I40 G41 M62 A71 M73 Y87 C88I12-W28 HydrophobicContact CB-CH2 4.31Å; I12-W28 HydrophobicContact CB-CZ3 4.07Å; I12-W28 HydrophobicContact CG2-CH2 4.09Å; I12-W28 HydrophobicContact CG2-CZ3 3.69Å; I12-W28 WeakPolarHBondContact O-CH2 2.98Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 4.02Å; C14-W28 HydrophobicContact CB-CZ3 4.49Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.72Å; W28-G41 PolarHBondContact N-O 2.85Å; W28-M62 HydrophobicContact CB-CE 3.83Å; W28-M62 VanDerWaalsContact CD1-SD 3.55Å; W28-M62 HydrophobicContact CG-CE 3.99Å; W28-M62 HydrophobicContact CG-SD 4.43Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.36Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å
29V97.4Very high91.9Very high11 Ų1159.8 Ų59.87%0.06731%0.314CS..EExtended strand (participates in β ladder)trans-137.2133-173.5-175.60000109.6L37 E38 Y86 Y87 W98V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 2.95Å; V29-W98 HydrophobicContact CB-CH2 4.33Å; V29-W98 HydrophobicContact CB-CZ3 3.92Å; V29-W98 HydrophobicContact CG1-CH2 4.27Å; V29-W98 HydrophobicContact CG1-CZ3 4.13Å; V29-W98 HydrophobicContact CG2-CH2 3.92Å; V29-W98 HydrophobicContact CG2-CZ3 3.85Å
30K96.4Very high92.2Very high10 Ų1057.2 Ų57.24%0.04330%0.304CS..EExtended strand (participates in β ladder)trans-95.9131.2171.7-176.7-178-179.1-176.30109.1L37 E38 I40 F56 E81 D82 A84 Y86K30-L37 WeakPolarHBondContact O-CA 3.23Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.09Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; K30-E81 PolarHBondContact NZ-O 3.39Å; K30-D82 IonicContact NZ-OD1 2.72Å; K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.56Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å
31Q95.9Very high92.3Very high55 Ų5553.3 Ų53.326%0.25728%0.28SS..EExtended strand (participates in β ladder)trans-108.5106.4167.5-170.6179.143.400109.4S36 L37 A84 V85 Y87Q31-S36 WeakPolarHBondContact CA-O 3.4Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-V85 VanDerWaalsContact O-N 3.09Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.58Å
32S89Confident92.5Very high24 Ų2454.3 Ų54.317%0.16829%0.287CS..EExtended strand (participates in β ladder)trans-72.7162.8177.173.90000111.4A34 K35 S36S32-A34 PolarHBondContact O-N 3.38Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-A34 PolarHBondContact OG-N 3.11Å; S32-K35 WeakPolarHBondContact O-CA 3.23Å; S32-K35 PolarHBondContact O-N 3.01Å; S32-S36 PolarHBondContact N-O 2.83Å; S32-S36 PolarHBondContact OG-OG 2.86Å
33H79.1Confident92.6Very high153 Ų15352.3 Ų52.371%0.70827%0.274SS*.THydrogen-bonded Turntrans-58.4-22.5176-71-167.5000113.2K35H33-K35 PolarHBondContact O-N 2.81Å
34A75.6Confident92.7Very high87 Ų8748.3 Ų48.372%0.71926%0.255SS*.THydrogen-bonded Turntrans-76.48172.100000113.6S32 S36S32-A34 PolarHBondContact O-N 3.38Å; S32-A34 VanDerWaalsContact O-N 3.09Å; S32-A34 PolarHBondContact OG-N 3.11Å; A34-S36 PolarHBondContact O-N 2.89Å; A34-S36 VanDerWaalsContact O-N 3.15Å
35K69.7Low92.9Very high174 Ų17446.1 Ų46.176%0.75725%0.246SC*.  trans60.912.9-178.2-57.7-176.5179.9-179.80115.2S32 H33S32-K35 WeakPolarHBondContact O-CA 3.23Å; S32-K35 PolarHBondContact O-N 3.01Å; H33-K35 PolarHBondContact O-N 2.81Å
36S87Confident92.9Very high56 Ų5650.4 Ų50.439%0.39226%0.255SS..  trans-75.3131.517060.80000110.2Q31 S32 A34Q31-S36 WeakPolarHBondContact CA-O 3.4Å; S32-S36 PolarHBondContact N-O 2.83Å; S32-S36 PolarHBondContact OG-OG 2.86Å; A34-S36 PolarHBondContact O-N 2.89Å; A34-S36 VanDerWaalsContact O-N 3.15Å
37L93.3Very high92.9Very high99 Ų9958.8 Ų58.852%0.51829%0.288SS..EExtended strand (participates in β ladder)trans-88.6119.8169.5-66.8175.4000108.7V29 K30 Q31 W98V29-L37 HydrophobicContact CG1-CB 4.02Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; K30-L37 WeakPolarHBondContact O-CA 3.23Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.8Å; L37-W98 HydrophobicContact CD1-CH2 4.45Å
38E95.3Very high92.8Very high43 Ų4357.5 Ų57.520%0.20129%0.291CS..EExtended strand (participates in β ladder)trans-111.5117.3176.8-56.7-172.783.900109.1V29 K30 I40 K55 F56V29-E38 CarbonylContact C-O 3.6Å; V29-E38 WeakPolarHBondContact CA-O 3.04Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.09Å; K30-E38 PolarHBondContact O-N 2.93Å; E38-I40 PolarHBondContact O-N 3.24Å; E38-K55 IonicContact OE1-NZ 2.56Å; E38-K55 PolarHBondContact OE1-NZ 3.01Å; E38-K55 IonicContact OE2-NZ 2.62Å; E38-K55 PolarHBondContact OE2-NZ 2.9Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.22Å
39W96.3Very high92.8Very high97 Ų9761.9 Ų61.937%0.36731%0.314SS..EExtended strand (participates in β ladder)trans-70.9124.5173.9-179.272000110H27 G41 V42 N53H27-W39 AromaticContact ND1-NE1 3.33Å; H27-W39 PolarHBondContact ND1-NE1 2.56Å; W39-G41 VanDerWaalsContact CE2-C 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.82Å; W39-V42 HydrophobicContact CH2-CG1 4.39Å; W39-V42 HydrophobicContact CZ2-CB 3.84Å; W39-V42 HydrophobicContact CZ2-CG1 3.75Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.37Å
40I97.8Very high92.8Very high0 Ų062.8 Ų62.80%032%0.323CS..EExtended strand (participates in β ladder)trans-88.8-44.9-178.3-58.5169.3000109.9W28 K30 E38 N53 F56 A60 M62 M73 Y86W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.28Å; W28-I40 PolarHBondContact O-N 2.72Å; K30-I40 HydrophobicContact CB-CD1 4Å; K30-I40 HydrophobicContact CB-CG1 4.13Å; E38-I40 PolarHBondContact O-N 3.24Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.12Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.68Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.68Å; I40-M62 HydrophobicContact CB-CE 4.34Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å
41G97.8Very high92.8Very high0 Ų065.5 Ų65.50%034%0.343CS..EExtended strand (participates in β ladder)trans169.2-177.5-175.500000112.6H27 W28 W39 S51H27-G41 WeakPolarHBondContact CA-O 3.3Å; W28-G41 PolarHBondContact N-O 2.85Å; W39-G41 VanDerWaalsContact CE2-C 3.41Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.82Å; G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.33Å
42V98Very high92.9Very high27 Ų2766.1 Ų66.116%0.16434%0.344CS..EExtended strand (participates in β ladder)trans-139.1142.1177.364.10000109.3A25 M26 W39 A50 S51A25-V42 HydrophobicContact CB-CG2 3.55Å; M26-V42 CarbonylContact O-C 3.45Å; M26-V42 WeakPolarHBondContact O-CA 3.44Å; W39-V42 HydrophobicContact CH2-CG1 4.39Å; W39-V42 HydrophobicContact CZ2-CB 3.84Å; W39-V42 HydrophobicContact CZ2-CG1 3.75Å; V42-A50 CarbonylContact O-C 3.58Å; V42-A50 VanDerWaalsContact O-CA 3.3Å; V42-A50 WeakPolarHBondContact O-CA 3.47Å; V42-S51 PolarHBondContact N-O 2.59Å; V42-S51 PolarHBondContact O-N 2.78Å
43I98.3Very high93.3Very high0 Ų067.6 Ų67.60%035%0.35CS..EExtended strand (participates in β ladder)trans-119.5131.5171.3-176.2166000110.2A25 M26 T45 D49 A50 M62 V64 A71A25-I43 CarbonylContact C-O 3.52Å; A25-I43 WeakPolarHBondContact CA-O 3.49Å; M26-I43 HydrophobicContact CB-CG2 3.94Å; M26-I43 PolarHBondContact N-O 3.02Å; M26-I43 PolarHBondContact O-N 3.09Å; I43-T45 PolarHBondContact O-N 2.76Å; I43-D49 WeakPolarHBondContact CA-O 3.41Å; I43-A50 HydrophobicContact CB-CB 4.24Å; I43-A50 HydrophobicContact CG1-CB 4.31Å; I43-M62 HydrophobicContact CB-CB 4.01Å; I43-M62 HydrophobicContact CB-SD 4.33Å; I43-M62 HydrophobicContact CD1-CB 3.91Å; I43-M62 HydrophobicContact CG1-CB 4.5Å; I43-M62 HydrophobicContact CG2-CB 4.31Å; I43-V64 HydrophobicContact CD1-CB 4.2Å; I43-V64 HydrophobicContact CD1-CG1 4.48Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
44S97.6Very high94.1Very high24 Ų2468.7 Ų68.717%0.16836%0.355CS..  trans-68.6118.1168.5178.20000109.2Y46 Y47 G48 D49S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.22Å; S44-Y47 WeakPolarHBondContact OG-CB 3.41Å; S44-Y47 WeakPolarHBondContact OG-CD2 3.41Å; S44-Y47 PolarHBondContact OG-N 3.44Å; S44-G48 WeakPolarHBondContact O-CA 3.42Å; S44-G48 PolarHBondContact O-N 3.5Å; S44-D49 WeakPolarHBondContact CB-OD1 3.45Å; S44-D49 PolarHBondContact N-O 2.63Å
45T97Very high95Very high1 Ų170.8 Ų70.81%0.00635%0.348CS..THydrogen-bonded Turntrans-74.7-21.217857.60000112.3F21 T22 Y24 M26 I43 V64 K66F21-T45 HydrophobicContact CD1-CG2 4.42Å; F21-T45 HydrophobicContact CD2-CG2 4.43Å; F21-T45 HydrophobicContact CE1-CG2 3.87Å; F21-T45 HydrophobicContact CE2-CG2 3.86Å; F21-T45 HydrophobicContact CZ-CG2 3.54Å; F21-T45 PolarHBondContact O-OG1 3.23Å; T22-T45 VanDerWaalsContact CA-OG1 3.28Å; T22-T45 WeakPolarHBondContact CA-OG1 3.48Å; T22-T45 PolarHBondContact O-OG1 2.84Å; Y24-T45 WeakPolarHBondContact O-CB 3.47Å; Y24-T45 WeakPolarHBondContact O-CG2 3.25Å; Y24-T45 PolarHBondContact O-OG1 3.09Å; M26-T45 HydrophobicContact CB-CG2 4.19Å; I43-T45 PolarHBondContact O-N 2.76Å; T45-V64 HydrophobicContact CG2-CG2 4.43Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.47Å
46Y96.7Very high96.2Very high130 Ų13062.7 Ų62.751%0.5131%0.313SS..THydrogen-bonded Turntrans-83-51.5174.7-173.8-96000112.3T22 S44 K66T22-Y46 WeakPolarHBondContact O-CB 3.41Å; S44-Y46 VanDerWaalsContact C-N 3.27Å; S44-Y46 PolarHBondContact O-N 3.22Å; Y46-K66 WeakPolarHBondContact O-CE 3.21Å; Y46-K66 PolarHBondContact O-NZ 2.62Å
47Y96.9Very high96.5Very high181 Ų18166.6 Ų66.671%0.7132%0.323SS*.THydrogen-bonded Turntrans-90.2-26.2-174.6-64.8-66.8000113S44 D49S44-Y47 WeakPolarHBondContact OG-CB 3.41Å; S44-Y47 WeakPolarHBondContact OG-CD2 3.41Å; S44-Y47 PolarHBondContact OG-N 3.44Å; Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.31Å
48G96.1Very high96.6Very high34 Ų3468.5 Ų68.535%0.35133%0.333SS..  trans81.61.5-178.400000114.6S44S44-G48 WeakPolarHBondContact O-CA 3.42Å; S44-G48 PolarHBondContact O-N 3.5Å
49D96.8Very high96.6Very high93 Ų9368.6 Ų68.650%0.49733%0.333SS..  trans-78.6146.217467.9-65.4000111.3I43 S44 Y47I43-D49 WeakPolarHBondContact CA-O 3.41Å; S44-D49 WeakPolarHBondContact CB-OD1 3.45Å; S44-D49 PolarHBondContact N-O 2.63Å; Y47-D49 VanDerWaalsContact C-N 3.29Å; Y47-D49 WeakPolarHBondContact CB-OD1 3.31Å
50A97.7Very high96.7Very high31 Ų3164.1 Ų64.126%0.25632%0.317SS..EExtended strand (participates in β ladder)trans-124.8140.1-176.300000111.6V42 I43 Y52 M62V42-A50 CarbonylContact O-C 3.58Å; V42-A50 VanDerWaalsContact O-CA 3.3Å; V42-A50 WeakPolarHBondContact O-CA 3.47Å; I43-A50 HydrophobicContact CB-CB 4.24Å; I43-A50 HydrophobicContact CG1-CB 4.31Å; A50-Y52 HydrophobicContact CB-CE2 3.65Å; A50-Y52 WeakPolarHBondContact CB-OH 3.31Å; A50-M62 HydrophobicContact CB-CB 4.07Å
51S97.9Very high96.7Very high66 Ų6667.7 Ų67.746%0.46234%0.339SS..EExtended strand (participates in β ladder)trans-116.6138.8171.9-70.50000109.6G41 V42G41-S51 CarbonylContact C-O 3.48Å; G41-S51 WeakPolarHBondContact CA-O 3.33Å; V42-S51 PolarHBondContact N-O 2.59Å; V42-S51 PolarHBondContact O-N 2.78Å
52Y98.1Very high96.7Very high69 Ų6968.2 Ų68.227%0.27134%0.341SS..EExtended strand (participates in β ladder)trans-123.2147.2-171.9-59.4-91.1000111.1A50 A60 M62A50-Y52 HydrophobicContact CB-CE2 3.65Å; A50-Y52 WeakPolarHBondContact CB-OH 3.31Å; Y52-A60 HydrophobicContact CD1-CB 4.29Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; Y52-M62 HydrophobicContact CD1-CE 4.11Å; Y52-M62 HydrophobicContact CE1-CB 4.47Å; Y52-M62 HydrophobicContact CE1-CE 4Å; Y52-M62 HydrophobicContact CE1-CG 3.88Å; Y52-M62 HydrophobicContact CE1-SD 4.06Å; Y52-M62 PolarHBondContact OH-N 2.97Å
53N96.8Very high96.7Very high55 Ų5570 Ų7029%0.29435%0.353SS..  trans-66.8138.2158.5-179.6-28.1000109W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.06Å; W39-N53 WeakPolarHBondContact O-CB 2.98Å; W39-N53 PolarHBondContact O-ND2 3.37Å; I40-N53 WeakPolarHBondContact O-CB 3.4Å; I40-N53 PolarHBondContact O-N 3.12Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.33Å; N53-K57 PolarHBondContact O-N 2.84Å
54Q95.9Very high96.7Very high176 Ų17671.8 Ų71.882%0.82236%0.363SS*.G310 helixtrans-54.3-33.4-177.5-168.1162.69.100113.2F56Q54-F56 PolarHBondContact O-N 2.95Å
55K93.3Very high96.7Very high131 Ų13173.1 Ų73.157%0.5737%0.368SS*.G310 helixtrans-61.4-27.9176.5-173.2179.4179.9-178.10113.5E38 N53E38-K55 IonicContact OE1-NZ 2.56Å; E38-K55 PolarHBondContact OE1-NZ 3.01Å; E38-K55 IonicContact OE2-NZ 2.62Å; E38-K55 PolarHBondContact OE2-NZ 2.9Å; N53-K55 PolarHBondContact O-N 3.21Å; N53-K55 VanDerWaalsContact O-N 3.11Å; N53-K55 PolarHBondContact OD1-N 2.8Å
56F95.4Very high96.7Very high4 Ų478.2 Ų78.22%0.01839%0.391CS..G310 helixtrans-112.8-2.7-172.2-61.8-83000113.6K30 E38 I40 N53 Q54 D58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.48Å; K30-F56 HydrophobicContact CD-CE1 4.07Å; K30-F56 HydrophobicContact CD-CZ 4.11Å; E38-F56 HydrophobicContact CB-CE2 4.24Å; E38-F56 HydrophobicContact CB-CZ 4.22Å; I40-F56 HydrophobicContact CB-CD2 4.25Å; I40-F56 HydrophobicContact CB-CG 4.22Å; I40-F56 HydrophobicContact CG1-CD1 4.21Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.17Å; I40-F56 HydrophobicContact CG1-CE2 4.18Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.15Å; I40-F56 HydrophobicContact CG2-CB 3.68Å; I40-F56 HydrophobicContact CG2-CD1 4.14Å; I40-F56 HydrophobicContact CG2-CD2 4.28Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.09Å; N53-F56 PolarHBondContact O-N 3.33Å; Q54-F56 PolarHBondContact O-N 2.95Å; F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 2.78Å; F56-K59 PolarHBondContact O-N 2.87Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.83Å
57K94.5Very high96.6Very high138 Ų13877.3 Ų77.360%0.640%0.403SS*.THydrogen-bonded Turntrans-57.1-37.6-172.6-170.7177.6179.8-177.50113.7N53 K59N53-K57 PolarHBondContact O-N 2.84Å; K57-K59 VanDerWaalsContact C-N 3.35Å
58D94.6Very high96.6Very high138 Ų13870.4 Ų70.474%0.73838%0.382SS*.THydrogen-bonded Turntrans-93.73.6-179.4-56.7-39.2000113.2F56F56-D58 VanDerWaalsContact C-N 3.28Å; F56-D58 PolarHBondContact O-N 2.78Å
59K95.6Very high96.7Very high46 Ų4670.8 Ų70.820%0.238%0.379CS..THydrogen-bonded Turntrans-120.1-39.3-171.9-162.9166.4-161.9166.40113.4F56 K57 L75 A76 D82F56-K59 PolarHBondContact O-N 2.87Å; K57-K59 VanDerWaalsContact C-N 3.35Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; K59-A76 PolarHBondContact O-N 3.25Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.39Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.81Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å
60A97.6Very high96.7Very high2 Ų266.8 Ų66.82%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-100.9135.2-178.400000110.7I40 Y52 F56 M73 E74 L75I40-A60 HydrophobicContact CG2-CB 3.68Å; Y52-A60 HydrophobicContact CD1-CB 4.29Å; Y52-A60 HydrophobicContact CE1-CB 4.19Å; Y52-A60 WeakPolarHBondContact CE1-O 3.43Å; F56-A60 HydrophobicContact CB-CB 4.3Å; F56-A60 PolarHBondContact O-N 2.83Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.44Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; A60-L75 HydrophobicContact CB-CD2 4.04Å
61T98.2Very high96.8Very high75 Ų7565.3 Ų65.346%0.4635%0.346SS..EExtended strand (participates in β ladder)trans-122.5122.4168.1-63.80000108.7T63 M73 E74T61-T63 HydrophobicContact CG2-CG2 4.5Å; T61-M73 CarbonylContact O-C 3.54Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; T61-E74 PolarHBondContact N-O 3.21Å; T61-E74 PolarHBondContact O-N 2.83Å
62M98.5Very high96.8Very high11 Ų1164.6 Ų64.65%0.05433%0.333CS..EExtended strand (participates in β ladder)trans-103.5136.9-180-62175.8-172.400110.6W28 I40 I43 A50 Y52 Y72 M73W28-M62 HydrophobicContact CB-CE 3.83Å; W28-M62 VanDerWaalsContact CD1-SD 3.55Å; W28-M62 HydrophobicContact CG-CE 3.99Å; W28-M62 HydrophobicContact CG-SD 4.43Å; I40-M62 HydrophobicContact CB-CE 4.34Å; I40-M62 HydrophobicContact CG2-CE 3.77Å; I43-M62 HydrophobicContact CB-CB 4.01Å; I43-M62 HydrophobicContact CB-SD 4.33Å; I43-M62 HydrophobicContact CD1-CB 3.91Å; I43-M62 HydrophobicContact CG1-CB 4.5Å; I43-M62 HydrophobicContact CG2-CB 4.31Å; A50-M62 HydrophobicContact CB-CB 4.07Å; Y52-M62 HydrophobicContact CD1-CE 4.11Å; Y52-M62 HydrophobicContact CE1-CB 4.47Å; Y52-M62 HydrophobicContact CE1-CE 4Å; Y52-M62 HydrophobicContact CE1-CG 3.88Å; Y52-M62 HydrophobicContact CE1-SD 4.06Å; Y52-M62 PolarHBondContact OH-N 2.97Å; M62-Y72 WeakPolarHBondContact CA-O 3.33Å; M62-M73 HydrophobicContact CE-SD 4.41Å; M62-M73 HydrophobicContact CG-CG 4.41Å
63T98.3Very high96.8Very high66 Ų6661.3 Ų61.341%0.40532%0.32SS..EExtended strand (participates in β ladder)trans-138.6161.8176.356.50000110.7T61 Y72T61-T63 HydrophobicContact CG2-CG2 4.5Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.84Å
64V98.1Very high96.8Very high37 Ų3762.7 Ų62.722%0.22433%0.325CS..EExtended strand (participates in β ladder)trans-132.2134.4179.168.20000110.7F21 I43 T45 K66F21-V64 HydrophobicContact CE1-CG2 3.41Å; F21-V64 VanDerWaalsContact CE1-CG2 3.41Å; F21-V64 HydrophobicContact CZ-CG2 3.84Å; I43-V64 HydrophobicContact CD1-CB 4.2Å; I43-V64 HydrophobicContact CD1-CG1 4.48Å; T45-V64 HydrophobicContact CG2-CG2 4.43Å; V64-K66 HydrophobicContact CG2-CG 4.45Å
65D97.5Very high96.9Very high51 Ų5154.4 Ų54.427%0.27329%0.286SS..EExtended strand (participates in β ladder)trans-111.6103.4167176.46.9000108.7S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.17Å; D65-S67 PolarHBondContact OD2-OG 3.49Å; D65-S68 PolarHBondContact OD1-N 3.15Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; D65-S69 PolarHBondContact O-N 2.81Å; D65-S69 VanDerWaalsContact O-N 3.15Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.79Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å
66K95.8Very high97Very high109 Ų10949.3 Ų49.347%0.47427%0.269SS..THydrogen-bonded Turntrans-69.9-28.2-179-61.8175.6-177.6174.50112.2T22 T45 Y46 V64 S68 S69T22-K66 HydrophobicContact CG2-CG 4.44Å; T45-K66 VanDerWaalsContact O-CE 3.24Å; T45-K66 WeakPolarHBondContact O-CE 3.47Å; Y46-K66 WeakPolarHBondContact O-CE 3.21Å; Y46-K66 PolarHBondContact O-NZ 2.62Å; V64-K66 HydrophobicContact CG2-CG 4.45Å; K66-S68 VanDerWaalsContact C-N 3.34Å; K66-S69 PolarHBondContact O-N 3.39Å
67S95.4Very high97Very high111 Ų11157.6 Ų57.678%0.77630%0.3SS*.THydrogen-bonded Turntrans-69.3-35.4-177.2730000111.9D65D65-S67 VanDerWaalsContact C-N 3.3Å; D65-S67 PolarHBondContact O-N 2.86Å; D65-S67 WeakPolarHBondContact OD1-CB 3.25Å; D65-S67 PolarHBondContact OD1-N 2.83Å; D65-S67 PolarHBondContact OD1-OG 3.17Å; D65-S67 PolarHBondContact OD2-OG 3.49Å
68S96.9Very high97Very high36 Ų3651 Ų5125%0.25227%0.271SS..THydrogen-bonded Turntrans-100.33.6177.968.20000113.5D65 K66 T70D65-S68 PolarHBondContact OD1-N 3.15Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.43Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; K66-S68 VanDerWaalsContact C-N 3.34Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.39Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.15Å
69S97.3Very high97Very high41 Ų4147.1 Ų47.129%0.28725%0.253SS..THydrogen-bonded Turntrans5242-174.4-64.30000112.9G16 F21 D65 K66G16-S69 PolarHBondContact N-O 2.81Å; F21-S69 WeakPolarHBondContact CE2-O 3.39Å; D65-S69 PolarHBondContact O-N 2.81Å; D65-S69 VanDerWaalsContact O-N 3.15Å; K66-S69 PolarHBondContact O-N 3.39Å
70T98.1Very high96.8Very high10 Ų1049 Ų496%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-123.7128.3-172.9-54.50000111.3C14 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.21Å; D65-T70 PolarHBondContact N-O 2.88Å; D65-T70 PolarHBondContact O-N 2.79Å; S68-T70 PolarHBondContact O-N 3.48Å; S68-T70 PolarHBondContact O-OG1 3.39Å; S68-T70 WeakPolarHBondContact OG-CB 3.49Å; S68-T70 PolarHBondContact OG-OG1 3.15Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
71A98.1Very high96.4Very high0 Ų056.5 Ų56.50%031%0.306CS..EExtended strand (participates in β ladder)trans-95.4146.6166.700000109.4S13 C14 F21 M26 W28 I43S13-A71 CarbonylContact C-O 3.5Å; C14-A71 PolarHBondContact N-O 2.93Å; C14-A71 PolarHBondContact O-N 2.82Å; F21-A71 HydrophobicContact CZ-CB 4.07Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 3.83Å; W28-A71 HydrophobicContact CZ2-CB 4.28Å; I43-A71 HydrophobicContact CG2-CB 4.49Å
72Y98.3Very high96.1Very high51 Ų5153.2 Ų53.220%0.229%0.286CS..EExtended strand (participates in β ladder)trans-126.5147.7176.1-55-88.9000111K11 I12 S13 M62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; I12-Y72 CarbonylContact O-C 3.43Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.42Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; M62-Y72 WeakPolarHBondContact CA-O 3.33Å; T63-Y72 PolarHBondContact N-O 2.03Å; T63-Y72 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 3.85Å; T70-Y72 HydrophobicContact CG2-CD1 4.2Å; T70-Y72 HydrophobicContact CG2-CD2 4.34Å; T70-Y72 HydrophobicContact CG2-CE1 3.64Å; T70-Y72 HydrophobicContact CG2-CE2 3.78Å
73M98.1Very high96Very high0 Ų053.6 Ų53.60%029%0.29CS..EExtended strand (participates in β ladder)trans-126.2118.8166.8-180-173.466.100108.5I12 W28 I40 A60 T61 M62 L75 Y86I12-M73 HydrophobicContact CD1-CE 3.8Å; I12-M73 HydrophobicContact CG1-CE 4.46Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 2.95Å; W28-M73 HydrophobicContact CB-SD 3.79Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.36Å; W28-M73 HydrophobicContact CD2-CG 4.35Å; W28-M73 HydrophobicContact CD2-SD 4Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.08Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-CG 4.47Å; W28-M73 HydrophobicContact CG-SD 3.9Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.81Å; W28-M73 HydrophobicContact CZ3-CB 4.08Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 3.97Å; I40-M73 HydrophobicContact CD1-SD 3.63Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; A60-M73 HydrophobicContact CB-CG 4.35Å; A60-M73 HydrophobicContact CB-SD 4.44Å; T61-M73 CarbonylContact O-C 3.54Å; T61-M73 WeakPolarHBondContact O-CA 3.46Å; M62-M73 HydrophobicContact CE-SD 4.41Å; M62-M73 HydrophobicContact CG-CG 4.41Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.1Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å
74E98Very high95.8Very high84 Ų8450.5 Ų50.539%0.39327%0.271SS..EExtended strand (participates in β ladder)trans-93.5128.3169-172.2175.117300109.5V10 A60 T61V10-E74 CarbonylContact O-C 3.54Å; V10-E74 VanDerWaalsContact O-CA 3.23Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; A60-E74 CarbonylContact C-O 3.52Å; A60-E74 VanDerWaalsContact CA-O 3.31Å; A60-E74 WeakPolarHBondContact CA-O 3.47Å; T61-E74 PolarHBondContact N-O 3.21Å; T61-E74 PolarHBondContact O-N 2.83Å
75L96.8Very high95.8Very high1 Ų150.3 Ų50.31%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-107.7118172.6-64.6164.3000108.4S9 V10 I12 K59 A60 M73 L78 Y86S9-L75 CarbonylContact C-O 3.59Å; S9-L75 WeakPolarHBondContact CA-O 3.49Å; S9-L75 WeakPolarHBondContact CB-O 3.45Å; V10-L75 HydrophobicContact CG1-CB 3.96Å; V10-L75 HydrophobicContact CG1-CD1 4.14Å; V10-L75 PolarHBondContact N-O 3.1Å; V10-L75 PolarHBondContact O-N 3.18Å; I12-L75 HydrophobicContact CD1-CD1 4.17Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; A60-L75 HydrophobicContact CB-CD2 4.04Å; M73-L75 HydrophobicContact CE-CD1 3.79Å; M73-L75 HydrophobicContact CE-CD2 4.1Å; M73-L75 HydrophobicContact CE-CG 3.88Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.5Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 HydrophobicContact CD1-CG 4.41Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.47Å
76A96.6Very high95.8Very high25 Ų2548 Ų4821%0.20726%0.257CS..  trans-88.3149-177.900000112.4S9 K59 L78S9-A76 WeakPolarHBondContact OG-CA 3.37Å; K59-A76 PolarHBondContact O-N 3.25Å; A76-L78 PolarHBondContact O-N 2.98Å
77R94.7Very high95.8Very high177 Ų17745 Ų4567%0.66824%0.243SC*.SBendtrans51.757.1167.7-63.6176.1-81-178.9-4.2112.4
78L94.3Very high95.9Very high0 Ų040.5 Ų40.50%021%0.211CC..  trans-61.8140.9-175.5-70.4175.7000112.6V4 P6 G7 V8 V10 L75 A76 D82 V104 V106V4-L78 HydrophobicContact CG2-CD1 3.61Å; P6-L78 WeakPolarHBondContact CA-O 3.47Å; G7-L78 PolarHBondContact N-O 2.86Å; V8-L78 WeakPolarHBondContact O-CB 3.4Å; V8-L78 WeakPolarHBondContact O-CG 3.19Å; V8-L78 PolarHBondContact O-N 2.9Å; V10-L78 HydrophobicContact CB-CD1 3.86Å; V10-L78 HydrophobicContact CG1-CD1 3.64Å; V10-L78 HydrophobicContact CG1-CD2 4.39Å; V10-L78 HydrophobicContact CG1-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.35Å; A76-L78 PolarHBondContact O-N 2.98Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; L78-V104 HydrophobicContact CD1-CG1 4.18Å; L78-V106 HydrophobicContact CB-CG1 4.33Å; L78-V106 HydrophobicContact CB-CG2 3.91Å; L78-V106 HydrophobicContact CD1-CG2 4.18Å
79T93.8Very high95.9Very high57 Ų5739.2 Ų39.235%0.3520%0.203SC..  trans-120.2168.9173.666.30000109.9E81 D82 V106T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; T79-V106 WeakPolarHBondContact O-CB 3.16Å; T79-V106 WeakPolarHBondContact O-CG2 3.04Å
80S91.5Very high95.8Very high86 Ų8638.8 Ų38.860%0.60120%0.195SC*.G310 helixtrans-53.3-33.8176.951.20000112.8D82 S83S80-D82 PolarHBondContact O-N 2.91Å; S80-S83 WeakPolarHBondContact O-CB 3.18Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.65Å
81E90.1Very high95.3Very high158 Ų15844 Ų4474%0.73822%0.217SC*.G310 helixtrans-65.8-16.2177.1-60.5-178.4175.400114K30 T79 S83K30-E81 PolarHBondContact NZ-O 3.39Å; T79-E81 PolarHBondContact O-N 2.87Å; T79-E81 VanDerWaalsContact O-N 3.12Å; E81-S83 VanDerWaalsContact C-N 3.31Å
82D92.8Very high94.6Very high6 Ų648.6 Ų48.63%0.03224%0.235CC..G310 helixtrans-84.3-6.2174.7-59.6-50.1000113.5K30 K59 L78 T79 S80 A84 Y86 V106K30-D82 IonicContact NZ-OD1 2.72Å; K59-D82 VanDerWaalsContact CE-CG 3.47Å; K59-D82 VanDerWaalsContact CE-OD1 3.28Å; K59-D82 WeakPolarHBondContact CE-OD1 3.01Å; K59-D82 WeakPolarHBondContact CE-OD2 3.48Å; K59-D82 IonicContact NZ-OD1 3.39Å; K59-D82 PolarHBondContact NZ-OD1 3.11Å; K59-D82 IonicContact NZ-OD2 3.81Å; K59-D82 PolarHBondContact NZ-OD2 3.07Å; L78-D82 WeakPolarHBondContact CA-OD2 3.5Å; L78-D82 HydrophobicContact CD2-CB 3.6Å; T79-D82 PolarHBondContact N-OD2 2.82Å; T79-D82 WeakPolarHBondContact O-CB 3.24Å; T79-D82 PolarHBondContact O-N 2.89Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; S80-D82 PolarHBondContact O-N 2.91Å; D82-A84 PolarHBondContact O-N 2.84Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.47Å; D82-V106 HydrophobicContact CB-CG2 4.35Å
83S94.6Very high93.6Very high20 Ų2056.1 Ų56.114%0.1426%0.264CS..  trans-61.5112.8173.9-57.80000110S80 E81 V104 V106S80-S83 WeakPolarHBondContact O-CB 3.18Å; S80-S83 PolarHBondContact O-N 2.96Å; S80-S83 VanDerWaalsContact O-N 3.11Å; S80-S83 PolarHBondContact O-OG 2.65Å; E81-S83 VanDerWaalsContact C-N 3.31Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; S83-V106 PolarHBondContact OG-N 2.83Å
84A95.8Very high92.6Very high0 Ų059.1 Ų59.10%030%0.295CS..EExtended strand (participates in β ladder)trans-168.1168.5-170.200000110.8K30 Q31 D82 Y86 V104K30-A84 HydrophobicContact CD-CB 4.16Å; K30-A84 HydrophobicContact CG-CB 3.56Å; Q31-A84 WeakPolarHBondContact O-CA 3.45Å; Q31-A84 VanDerWaalsContact O-CB 3.25Å; Q31-A84 WeakPolarHBondContact O-CB 3.38Å; D82-A84 PolarHBondContact O-N 2.84Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; A84-V104 PolarHBondContact N-O 2.84Å; A84-V104 VanDerWaalsContact N-O 3.09Å; A84-V104 PolarHBondContact O-N 3.04Å
85V96.8Very high92Very high34 Ų3458 Ų5821%0.20630%0.297CS..EExtended strand (participates in β ladder)trans-93.5126.1164.2-170.20000108.7Q31 Y87 T102 L103Q31-V85 HydrophobicContact CB-CB 4.45Å; Q31-V85 PolarHBondContact N-O 3.12Å; Q31-V85 PolarHBondContact O-N 2.89Å; Q31-V85 VanDerWaalsContact O-N 3.09Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.11Å; V85-T102 WeakPolarHBondContact CA-O 3.35Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.01Å
86Y97.3Very high91.7Very high2 Ų261 Ų611%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-103.7126179.2-69.3-88.3000110.2I12 V29 K30 I40 M73 L75 D82 A84 G101 T102 V104I12-Y86 HydrophobicContact CD1-CD1 4.35Å; I12-Y86 HydrophobicContact CD1-CD2 3.92Å; I12-Y86 HydrophobicContact CD1-CG 3.68Å; V29-Y86 WeakPolarHBondContact O-CA 3.28Å; K30-Y86 HydrophobicContact CB-CD1 4.18Å; K30-Y86 HydrophobicContact CB-CE1 3.93Å; K30-Y86 HydrophobicContact CD-CE1 4.1Å; K30-Y86 HydrophobicContact CG-CD1 4.33Å; K30-Y86 HydrophobicContact CG-CE1 3.78Å; I40-Y86 HydrophobicContact CD1-CD1 3.73Å; I40-Y86 HydrophobicContact CD1-CE1 3.88Å; M73-Y86 HydrophobicContact CE-CD1 3.72Å; M73-Y86 HydrophobicContact CE-CE1 4.31Å; M73-Y86 HydrophobicContact CE-CG 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 3.95Å; L75-Y86 HydrophobicContact CD1-CD2 4.45Å; L75-Y86 HydrophobicContact CD1-CE1 3.4Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.4Å; L75-Y86 HydrophobicContact CD1-CE2 3.99Å; L75-Y86 HydrophobicContact CD1-CG 4.41Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.41Å; L75-Y86 HydrophobicContact CD2-CE1 4.47Å; D82-Y86 WeakPolarHBondContact O-CE2 3.39Å; D82-Y86 PolarHBondContact O-OH 3.47Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.88Å; Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.5Å; Y86-T102 PolarHBondContact N-O 2.9Å; Y86-T102 PolarHBondContact O-N 3.33Å; Y86-V104 HydrophobicContact CD2-CB 4.02Å; Y86-V104 HydrophobicContact CD2-CG2 3.76Å; Y86-V104 HydrophobicContact CE2-CB 3.89Å; Y86-V104 HydrophobicContact CE2-CG2 4.06Å
87Y97.4Very high91.5Very high47 Ų4765.1 Ų65.118%0.18433%0.329CS..EExtended strand (participates in β ladder)trans-113.2144.7-178.5-63.9-85.6000110.7W28 V29 Q31 V85 W98 G99 G101W28-Y87 WeakPolarHBondContact CA-O 3.49Å; V29-Y87 PolarHBondContact N-O 3.4Å; V29-Y87 PolarHBondContact O-N 2.95Å; Q31-Y87 HydrophobicContact CB-CD2 4.21Å; Q31-Y87 HydrophobicContact CB-CE2 3.72Å; Q31-Y87 PolarHBondContact OE1-OH 2.58Å; V85-Y87 HydrophobicContact CB-CE2 3.73Å; V85-Y87 HydrophobicContact CG1-CD2 4.2Å; V85-Y87 HydrophobicContact CG1-CE1 4.03Å; V85-Y87 HydrophobicContact CG1-CE2 3.48Å; V85-Y87 VanDerWaalsContact CG1-CE2 3.48Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.11Å; Y87-W98 HydrophobicContact CD1-CE3 4.42Å; Y87-W98 HydrophobicContact CG-CE3 4.12Å; Y87-W98 HydrophobicContact CG-CZ3 4.38Å; Y87-G99 WeakPolarHBondContact CD1-O 3.49Å; Y87-G101 VanDerWaalsContact CD1-CA 3.44Å; Y87-G101 VanDerWaalsContact CE1-CA 3.47Å
88C97.3Very high91.5Very high16 Ų1662.6 Ų62.611%0.10832%0.319CS..EExtended strand (participates in β ladder)trans-101.2149.1157.662.20000109.6C14 M26 H27 W28 G99C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.45Å; C14-C88 WeakPolarHBondContact SG-CB 3.37Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CG-CB 4.21Å; M26-C88 HydrophobicContact SD-CB 3.72Å; H27-C88 CarbonylContact O-C 3.58Å; H27-C88 WeakPolarHBondContact O-CA 3.49Å; W28-C88 HydrophobicContact CD2-CB 4.45Å; W28-C88 HydrophobicContact CE3-CB 4.16Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ3-CB 4.09Å; C88-G99 PolarHBondContact O-N 2.86Å
89A96.5Very high91.6Very high9 Ų963.9 Ų63.97%0.07433%0.333CS..EExtended strand (participates in β ladder)trans-146.3153176.700000111.9H27 Y97 W98H27-A89 WeakPolarHBondContact CB-O 3.3Å; H27-A89 PolarHBondContact N-O 3.12Å; H27-A89 PolarHBondContact O-N 2.77Å; A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.5Å; A89-W98 HydrophobicContact CB-CD2 3.82Å; A89-W98 HydrophobicContact CB-CE3 3.92Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.45Å; A89-W98 HydrophobicContact CB-CZ3 4.28Å
90R94.3Very high91.6Very high32 Ų3270.6 Ų70.612%0.12136%0.361CS..EExtended strand (participates in β ladder)trans-127150.5167.767.7174.2-174.293.82.6110.3Y19 S96 Y97Y19-R90 VanDerWaalsContact CZ-CD 3.49Å; R90-S96 WeakPolarHBondContact O-CA 3.05Å; R90-Y97 HydrophobicContact CG-CD2 4.23Å; R90-Y97 HydrophobicContact CG-CG 4.47Å; R90-Y97 PolarHBondContact N-O 2.92Å; R90-Y97 VanDerWaalsContact NH2-CD2 3.31Å; R90-Y97 PolarHBondContact O-N 3.37Å
91F88Confident91.8Very high118 Ų11867.8 Ų67.852%0.51835%0.345SS..EExtended strand (participates in β ladder)trans-110.2135.7177.3-167.1-98.5000110.7Y24 S96Y24-F91 VanDerWaalsContact CD1-O 3.32Å; Y24-F91 WeakPolarHBondContact CD1-O 3.32Å; F91-S96 WeakPolarHBondContact CD2-OG 3.2Å
92Y82.9Confident92.1Very high98 Ų9862.3 Ų62.338%0.38432%0.322SS..EExtended strand (participates in β ladder)trans-141.9112.2176175.4-110.7000109.8Y24 G94 S95Y24-Y92 AromaticContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CD2 3.55Å; Y24-Y92 HydrophobicContact CE1-CE2 4.47Å; Y24-Y92 HydrophobicContact CE1-CG 4.11Å; Y24-Y92 AromaticContact CZ-CD2 3.61Å; Y24-Y92 WeakPolarHBondContact OH-CD2 3.32Å; Y24-Y92 WeakPolarHBondContact OH-CE2 3.45Å; Y92-G94 PolarHBondContact O-N 3.11Å; Y92-G94 VanDerWaalsContact O-N 3.12Å; Y92-S95 PolarHBondContact N-O 3.03Å; Y92-S95 WeakPolarHBondContact O-CA 3.26Å; Y92-S95 WeakPolarHBondContact O-CB 3.32Å; Y92-S95 PolarHBondContact O-N 3.35Å
93Y77.5Confident92.2Very high208 Ų20865.2 Ų65.282%0.81634%0.338SS*.THydrogen-bonded Turntrans33.959.9174.6-64.1-75.1000115S95Y93-S95 VanDerWaalsContact C-N 3.33Å; Y93-S95 PolarHBondContact O-N 2.87Å
94G78.7Confident92.2Very high63 Ų6364.3 Ų64.365%0.64933%0.331SS*.THydrogen-bonded Turntrans87.1-5.5176.400000115.4Y92Y92-G94 PolarHBondContact O-N 3.11Å; Y92-G94 VanDerWaalsContact O-N 3.12Å
95S84.4Confident92.2Very high60 Ų6066.7 Ų66.742%0.4235%0.346SS..EExtended strand (participates in β ladder)trans-110138173.2-62.80000111.6Y92 Y93Y92-S95 PolarHBondContact N-O 3.03Å; Y92-S95 WeakPolarHBondContact O-CA 3.26Å; Y92-S95 WeakPolarHBondContact O-CB 3.32Å; Y92-S95 PolarHBondContact O-N 3.35Å; Y93-S95 VanDerWaalsContact C-N 3.33Å; Y93-S95 PolarHBondContact O-N 2.87Å
96S89.8Confident92Very high65 Ų6565.5 Ų65.546%0.45534%0.339SS..EExtended strand (participates in β ladder)trans-110.4125.2174.7-59.40000109.9R90 F91R90-S96 WeakPolarHBondContact O-CA 3.05Å; F91-S96 WeakPolarHBondContact CD2-OG 3.2Å
97Y93.3Very high91.6Very high112 Ų11267.8 Ų67.844%0.43936%0.355SS..EExtended strand (participates in β ladder)trans-103.3124.3173.9-61.1-91.2000108.9A89 R90A89-Y97 CarbonylContact C-O 3.59Å; A89-Y97 WeakPolarHBondContact CA-O 3.5Å; R90-Y97 HydrophobicContact CG-CD2 4.23Å; R90-Y97 HydrophobicContact CG-CG 4.47Å; R90-Y97 PolarHBondContact N-O 2.92Å; R90-Y97 VanDerWaalsContact NH2-CD2 3.31Å; R90-Y97 PolarHBondContact O-N 3.37Å
98W95.1Very high90.3Very high123 Ų12372.5 Ų72.547%0.46640%0.403SS..EExtended strand (participates in β ladder)trans-111142.2-177.1-66.477.3000110.3V29 L37 Y87 A89V29-W98 HydrophobicContact CB-CH2 4.33Å; V29-W98 HydrophobicContact CB-CZ3 3.92Å; V29-W98 HydrophobicContact CG1-CH2 4.27Å; V29-W98 HydrophobicContact CG1-CZ3 4.13Å; V29-W98 HydrophobicContact CG2-CH2 3.92Å; V29-W98 HydrophobicContact CG2-CZ3 3.85Å; L37-W98 HydrophobicContact CD1-CH2 4.45Å; Y87-W98 HydrophobicContact CD1-CE3 4.42Å; Y87-W98 HydrophobicContact CG-CE3 4.12Å; Y87-W98 HydrophobicContact CG-CZ3 4.38Å; A89-W98 HydrophobicContact CB-CD2 3.82Å; A89-W98 HydrophobicContact CB-CE3 3.92Å; A89-W98 HydrophobicContact CB-CG 4.24Å; A89-W98 HydrophobicContact CB-CZ2 4.45Å; A89-W98 HydrophobicContact CB-CZ3 4.28Å
99G95.2Very high89.9Confident28 Ų2875.3 Ų75.329%0.28942%0.418SS..  trans-67164.4165.100000111.4Y87 C88 G101Y87-G99 WeakPolarHBondContact CD1-O 3.49Å; C88-G99 PolarHBondContact O-N 2.86Å; G99-G101 PolarHBondContact O-N 2.86Å; G99-G101 VanDerWaalsContact O-N 3.12Å
100Q94.5Very high89.6Confident198 Ų19878.8 Ų78.893%0.92544%0.436SS*.  trans-59.5-22.6176.9-71.2-89.7-40.300113.2
101G95.1Very high89.3Confident26 Ų2681.4 Ų81.427%0.26845%0.454SS..  trans89.2148.2-175.500000112.3Y86 Y87 G99Y86-G101 CarbonylContact O-C 3.57Å; Y86-G101 VanDerWaalsContact O-CA 3.3Å; Y86-G101 WeakPolarHBondContact O-CA 3.5Å; Y87-G101 VanDerWaalsContact CD1-CA 3.44Å; Y87-G101 VanDerWaalsContact CE1-CA 3.47Å; G99-G101 PolarHBondContact O-N 2.86Å; G99-G101 VanDerWaalsContact O-N 3.12Å
102T96.3Very high89.4Confident44 Ų4479.2 Ų79.227%0.2745%0.45SS..EExtended strand (participates in β ladder)trans-117.2112.7175-59.10000108.5I12 V85 Y86 V104I12-T102 HydrophobicContact CG2-CG2 4.44Å; V85-T102 WeakPolarHBondContact CA-O 3.35Å; Y86-T102 PolarHBondContact N-O 2.9Å; Y86-T102 PolarHBondContact O-N 3.33Å; T102-V104 HydrophobicContact CG2-CG2 4.3Å; T102-V104 PolarHBondContact O-N 3.38Å
103L95.8Very high89.8Confident67 Ų6778.1 Ų78.135%0.35145%0.454SS..EExtended strand (participates in β ladder)trans-71119.9170.2175.764.1000108.9P1 E2 V85P1-L103 CarbonylContact C-O 3.54Å; P1-L103 WeakPolarHBondContact CA-O 3.48Å; P1-L103 HydrophobicContact CB-CB 4.24Å; P1-L103 HydrophobicContact CB-CD2 4.27Å; E2-L103 PolarHBondContact N-O 3.42Å; V85-L103 HydrophobicContact CG2-CB 4.42Å; V85-L103 HydrophobicContact CG2-CD1 4.01Å
104V95.1Very high90.6Very high0 Ų069.4 Ų69.40%043%0.43CS..EExtended strand (participates in β ladder)trans-109.8129.7168.9178.40000107.5E2 V4 I12 L78 S83 A84 Y86 T102 V106E2-V104 HydrophobicContact CB-CG2 4.49Å; E2-V104 WeakPolarHBondContact O-CA 3.39Å; V4-V104 HydrophobicContact CG2-CG1 4.15Å; I12-V104 HydrophobicContact CD1-CG2 3.99Å; L78-V104 HydrophobicContact CD1-CG1 4.18Å; S83-V104 VanDerWaalsContact CA-O 3.32Å; S83-V104 WeakPolarHBondContact CA-O 3.42Å; A84-V104 PolarHBondContact N-O 2.84Å; A84-V104 VanDerWaalsContact N-O 3.09Å; A84-V104 PolarHBondContact O-N 3.04Å; Y86-V104 HydrophobicContact CD2-CB 4.02Å; Y86-V104 HydrophobicContact CD2-CG2 3.76Å; Y86-V104 HydrophobicContact CE2-CB 3.89Å; Y86-V104 HydrophobicContact CE2-CG2 4.06Å; T102-V104 HydrophobicContact CG2-CG2 4.3Å; T102-V104 PolarHBondContact O-N 3.38Å; V104-V106 HydrophobicContact CG1-CG2 4.41Å
105T94.7Very high91.5Very high50 Ų5069.9 Ų69.931%0.30741%0.414SS..EExtended strand (participates in β ladder)trans-123.8122.3178.3-56.60000109E2 L3 V4E2-T105 PolarHBondContact O-N 2.94Å; L3-T105 WeakPolarHBondContact CA-O 3.48Å; L3-T105 HydrophobicContact CD1-CG2 3.95Å; V4-T105 PolarHBondContact N-O 3.46Å
106V92.7Very high92Very high10 Ų1070.6 Ų70.66%0.06141%0.414CS..EExtended strand (participates in β ladder)trans-105.5106.5179.8-169.70000108.1V4 P6 L78 T79 D82 S83 V104V4-V106 HydrophobicContact CG2-CB 4.34Å; V4-V106 HydrophobicContact CG2-CG1 4.45Å; V4-V106 HydrophobicContact CG2-CG2 3.81Å; V4-V106 WeakPolarHBondContact O-CA 3.1Å; P6-V106 HydrophobicContact CB-CG1 4.37Å; P6-V106 HydrophobicContact CG-CG1 4.15Å; L78-V106 HydrophobicContact CB-CG1 4.33Å; L78-V106 HydrophobicContact CB-CG2 3.91Å; L78-V106 HydrophobicContact CD1-CG2 4.18Å; T79-V106 WeakPolarHBondContact O-CB 3.16Å; T79-V106 WeakPolarHBondContact O-CG2 3.04Å; D82-V106 HydrophobicContact CB-CG2 4.35Å; S83-V106 PolarHBondContact OG-N 2.83Å; V104-V106 HydrophobicContact CG1-CG2 4.41Å
107S88.3Confident92.2Very high49 Ų4971.1 Ų71.134%0.34341%0.41SS..  trans-125.6143.6-179.466.80000111.1L3 V4 P6L3-S107 WeakPolarHBondContact CD1-OG 2.87Å; V4-S107 PolarHBondContact O-N 3.12Å; V4-S107 VanDerWaalsContact O-N 3.1Å; P6-S107 WeakPolarHBondContact CD-O 3.29Å
108A70.8Confident92.1Very high146 Ų14667.4 Ų67.4100%1.20741%0.408SS*.  trans-63.70170.300000111.5

Retrieved 108 of 108 residues in 81.6 ms (Link to these results)