X5J4F3_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4F3, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 106 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1I96.4Very high93.2Very high65 Ų6564.5 Ų64.533%0.33341%0.41SS..  0136.90-58.3163.9000108.2W17 Y61 M62 L64 Y75 T96I1-W17 HydrophobicContact CB-CH2 4.24Å; I1-W17 HydrophobicContact CB-CZ3 3.99Å; I1-W17 HydrophobicContact CG2-CH2 3.87Å; I1-W17 HydrophobicContact CG2-CZ3 3.49Å; I1-W17 VanDerWaalsContact CG2-CZ3 3.49Å; I1-Y61 CarbonylContact O-C 3.57Å; I1-Y61 VanDerWaalsContact O-CA 3.29Å; I1-Y61 WeakPolarHBondContact O-CA 3.45Å; I1-M62 HydrophobicContact CD1-CE 3.68Å; I1-M62 PolarHBondContact N-O 3.05Å; I1-M62 PolarHBondContact O-N 2.93Å; I1-L64 HydrophobicContact CD1-CD1 4.14Å; I1-Y75 HydrophobicContact CD1-CD1 4.1Å; I1-Y75 HydrophobicContact CD1-CD2 4.03Å; I1-Y75 HydrophobicContact CD1-CG 3.64Å; I1-T96 HydrophobicContact CD1-CG2 4.31Å; I1-T96 HydrophobicContact CG1-CG2 4.23Å; I1-T96 HydrophobicContact CG2-CG2 3.73Å
2S97.8Very high93Very high80 Ų8061.9 Ų61.956%0.55941%0.405SS*.EExtended strand (participates in β ladder)trans-117.7148.7177.9550000110.7A60S2-A60 CarbonylContact C-O 3.58Å; S2-A60 WeakPolarHBondContact CA-O 3.28Å
3C97.3Very high92.8Very high18 Ų1862.8 Ų62.812%0.12240%0.396CS..EExtended strand (participates in β ladder)trans-137.7110.4175.9178.90000108.9W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.8Å; C3-W17 HydrophobicContact CB-CZ2 4.16Å; C3-T59 WeakPolarHBondContact O-CA 3.4Å; C3-A60 PolarHBondContact N-O 3.32Å; C3-A60 PolarHBondContact O-N 3Å; C3-C77 HydrophobicContact CB-CB 3.46Å; C3-C77 VanDerWaalsContact CB-CB 3.46Å; C3-C77 WeakPolarHBondContact CB-SG 3.47Å; C3-C77 WeakPolarHBondContact SG-CB 3.46Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.19Å
4K97Very high92.8Very high155 Ų15559.7 Ų59.767%0.67437%0.374SS*.EExtended strand (participates in β ladder)trans-92.3122.5-179.2-174.4173.8-177.6178.50110.1T59K4-T59 HydrophobicContact CB-CG2 4.47Å
5A93.9Very high93Very high10 Ų1056 Ų568%0.08335%0.35CS..  trans-74.1144.9172.800000110.8Y8 F10 S58A5-Y8 HydrophobicContact CB-CE1 3.8Å; A5-Y8 HydrophobicContact CB-CE2 4.02Å; A5-Y8 VanDerWaalsContact CB-CZ 3.41Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.43Å; A5-F10 HydrophobicContact CB-CB 4.07Å; A5-F10 HydrophobicContact CB-CD2 3.48Å; A5-F10 VanDerWaalsContact CB-CD2 3.48Å; A5-F10 HydrophobicContact CB-CE2 4.23Å; A5-F10 HydrophobicContact CB-CG 4.06Å; A5-S58 WeakPolarHBondContact CB-O 3.3Å; A5-S58 PolarHBondContact N-O 3.45Å
6S91.6Very high93.2Very high100 Ų10053.5 Ų53.570%0.69933%0.334SS*.  trans-147.8145.5174.364.50000110.2Y8S6-Y8 VanDerWaalsContact C-N 3.35Å; S6-Y8 WeakPolarHBondContact O-CD1 3.3Å; S6-Y8 PolarHBondContact O-N 2.92Å
7G89.1Confident93.4Very high92 Ų9250.5 Ų50.595%0.94831%0.314SS*.SBendtrans77.410.1177.300000116
8Y85.5Confident93.6Very high56 Ų5648.2 Ų48.222%0.2230%0.3CS..SBendtrans-153.9167.1174.865.7-86.9000112.6A5 S6 F10 Y13 M15 R79A5-Y8 HydrophobicContact CB-CE1 3.8Å; A5-Y8 HydrophobicContact CB-CE2 4.02Å; A5-Y8 VanDerWaalsContact CB-CZ 3.41Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.43Å; S6-Y8 VanDerWaalsContact C-N 3.35Å; S6-Y8 WeakPolarHBondContact O-CD1 3.3Å; S6-Y8 PolarHBondContact O-N 2.92Å; Y8-F10 PolarHBondContact O-N 3.17Å; Y8-F10 VanDerWaalsContact O-N 3.14Å; Y8-Y13 AromaticContact CD2-CD2 3.45Å; Y8-Y13 HydrophobicContact CD2-CD2 3.45Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.45Å; Y8-Y13 AromaticContact CD2-CE2 3.8Å; Y8-Y13 HydrophobicContact CD2-CE2 3.8Å; Y8-Y13 HydrophobicContact CD2-CG 4.22Å; Y8-Y13 AromaticContact CE2-CD2 3.86Å; Y8-Y13 HydrophobicContact CE2-CD2 3.86Å; Y8-Y13 HydrophobicContact CE2-CG 4.24Å; Y8-Y13 HydrophobicContact CG-CD2 4.47Å; Y8-Y13 HydrophobicContact CG-CE2 4.46Å; Y8-M15 WeakPolarHBondContact OH-CE 3.18Å; Y8-R79 VanDerWaalsContact CE2-CD 3.47Å; Y8-R79 HydrophobicContact CE2-CG 4.04Å; Y8-R79 VanDerWaalsContact CZ-CD 3.45Å
9S90.8Very high93.7Very high77 Ų7745.9 Ų45.954%0.53829%0.286SS..  trans-72.4100.3174.4-1770000110.4T11 G12 Y13S9-T11 PolarHBondContact O-N 3.39Å; S9-T11 VanDerWaalsContact O-N 3.14Å; S9-G12 PolarHBondContact O-N 2.79Å; S9-Y13 VanDerWaalsContact O-CD2 3.3Å; S9-Y13 WeakPolarHBondContact O-CD2 3.35Å
10F92.8Very high93.8Very high7 Ų747.5 Ų47.53%0.03129%0.289CS..G310 helixtrans-54.1-36.2-173.9176.3-124.9000113.9A5 Y8 G12 M15 P34 A53 S58 A60A5-F10 HydrophobicContact CB-CB 4.07Å; A5-F10 HydrophobicContact CB-CD2 3.48Å; A5-F10 VanDerWaalsContact CB-CD2 3.48Å; A5-F10 HydrophobicContact CB-CE2 4.23Å; A5-F10 HydrophobicContact CB-CG 4.06Å; Y8-F10 PolarHBondContact O-N 3.17Å; Y8-F10 VanDerWaalsContact O-N 3.14Å; F10-G12 VanDerWaalsContact C-N 3.27Å; F10-G12 PolarHBondContact O-N 3.17Å; F10-M15 HydrophobicContact CE2-CE 4.05Å; F10-P34 HydrophobicContact CD1-CB 3.8Å; F10-P34 HydrophobicContact CD1-CG 4.3Å; F10-P34 HydrophobicContact CD2-CB 4.48Å; F10-P34 HydrophobicContact CD2-CG 4.1Å; F10-P34 HydrophobicContact CE1-CB 3.45Å; F10-P34 VanDerWaalsContact CE1-CB 3.45Å; F10-P34 HydrophobicContact CE1-CG 3.89Å; F10-P34 HydrophobicContact CE2-CB 4.16Å; F10-P34 HydrophobicContact CE2-CG 3.64Å; F10-P34 HydrophobicContact CG-CB 4.33Å; F10-P34 HydrophobicContact CG-CG 4.42Å; F10-P34 HydrophobicContact CZ-CB 3.65Å; F10-P34 HydrophobicContact CZ-CG 3.53Å; F10-A53 HydrophobicContact CE1-CB 4.12Å; F10-A53 HydrophobicContact CZ-CB 4.07Å; F10-S58 VanDerWaalsContact CD1-CA 3.5Å; F10-A60 HydrophobicContact CE2-CB 4.25Å; F10-A60 HydrophobicContact CZ-CB 3.98Å
11T93.5Very high93.7Very high49 Ų4945.9 Ų45.930%0.30128%0.28SS..G310 helixtrans-77.8-7.1-179.455.90000114.2S9 Y35 K55S9-T11 PolarHBondContact O-N 3.39Å; S9-T11 VanDerWaalsContact O-N 3.14Å; T11-Y35 WeakPolarHBondContact O-CB 3.49Å; T11-K55 HydrophobicContact CG2-CD 4.42Å; T11-K55 HydrophobicContact CG2-CG 4.12Å
12G90.6Very high93Very high34 Ų3449.3 Ų49.335%0.35129%0.294SS..G310 helixtrans-903.2178.400000114.6S9 F10S9-G12 PolarHBondContact O-N 2.79Å; F10-G12 VanDerWaalsContact C-N 3.27Å; F10-G12 PolarHBondContact O-N 3.17Å
13Y90.1Very high92Very high74 Ų7450 Ų5029%0.2931%0.314SS..EExtended strand (participates in β ladder)trans-141.3147.3-171.4-63.6-91.1000111.1Y8 S9 P34 R79 E80Y8-Y13 AromaticContact CD2-CD2 3.45Å; Y8-Y13 HydrophobicContact CD2-CD2 3.45Å; Y8-Y13 VanDerWaalsContact CD2-CD2 3.45Å; Y8-Y13 AromaticContact CD2-CE2 3.8Å; Y8-Y13 HydrophobicContact CD2-CE2 3.8Å; Y8-Y13 HydrophobicContact CD2-CG 4.22Å; Y8-Y13 AromaticContact CE2-CD2 3.86Å; Y8-Y13 HydrophobicContact CE2-CD2 3.86Å; Y8-Y13 HydrophobicContact CE2-CG 4.24Å; Y8-Y13 HydrophobicContact CG-CD2 4.47Å; Y8-Y13 HydrophobicContact CG-CE2 4.46Å; S9-Y13 VanDerWaalsContact O-CD2 3.3Å; S9-Y13 WeakPolarHBondContact O-CD2 3.35Å; Y13-P34 WeakPolarHBondContact O-CD 3.43Å; Y13-R79 HydrophobicContact CD1-CG 3.76Å; Y13-R79 HydrophobicContact CG-CG 3.77Å; Y13-E80 WeakPolarHBondContact CA-O 3.4Å; Y13-E80 WeakPolarHBondContact CB-O 3.41Å
14F93.1Very high91.1Very high19 Ų1955 Ų558%0.08333%0.334CS..EExtended strand (participates in β ladder)trans-73.5144.9166.9-75.2-91.6000110.4R31 I32 N33 E80 D82F14-R31 HydrophobicContact CD1-CB 4.43Å; F14-R31 HydrophobicContact CD1-CG 3.85Å; F14-R31 HydrophobicContact CE1-CG 4.41Å; F14-I32 WeakPolarHBondContact CA-O 3.21Å; F14-N33 HydrophobicContact CD1-CB 3.85Å; F14-N33 HydrophobicContact CE1-CB 3.46Å; F14-N33 VanDerWaalsContact CE1-CB 3.46Å; F14-N33 HydrophobicContact CZ-CB 3.97Å; F14-E80 HydrophobicContact CB-CB 4.28Å; F14-E80 PolarHBondContact N-O 3.14Å; F14-E80 PolarHBondContact O-N 2.98Å; F14-D82 WeakPolarHBondContact CE2-OD1 2.96Å
15M95.5Very high90.7Very high4 Ų451.9 Ų51.92%0.0233%0.332CS..EExtended strand (participates in β ladder)trans-104.5113166.6-17264.367.600109.5Y8 F10 R31 I32 A60 C77Y8-M15 WeakPolarHBondContact OH-CE 3.18Å; F10-M15 HydrophobicContact CE2-CE 4.05Å; M15-R31 CarbonylContact O-C 3.58Å; M15-R31 WeakPolarHBondContact O-CA 2.99Å; M15-R31 WeakPolarHBondContact O-CB 3.33Å; M15-I32 HydrophobicContact CB-CG2 4.02Å; M15-I32 PolarHBondContact N-O 3.28Å; M15-I32 PolarHBondContact O-N 2.92Å; M15-A60 HydrophobicContact CB-CB 3.98Å; M15-A60 HydrophobicContact CG-CB 3.62Å; M15-C77 HydrophobicContact CG-CB 4.37Å; M15-C77 HydrophobicContact SD-CB 3.71Å
16N96.1Very high90.6Very high16 Ų1655.7 Ų55.79%0.08635%0.35CS..EExtended strand (participates in β ladder)trans-88.2147.5174.9-73.3-81.9000110.7W28 R31 C77 A78 E80N16-W28 PolarHBondContact OD1-NE1 3.45Å; N16-R31 WeakPolarHBondContact OD1-CB 3.3Å; N16-C77 CarbonylContact O-C 3.54Å; N16-C77 WeakPolarHBondContact O-CA 3.42Å; N16-A78 HydrophobicContact CB-CB 4.29Å; N16-A78 WeakPolarHBondContact CB-O 3.38Å; N16-A78 PolarHBondContact N-O 3.38Å; N16-A78 PolarHBondContact O-N 2.81Å; N16-E80 WeakPolarHBondContact ND2-CB 3.5Å; N16-E80 PolarHBondContact ND2-OE2 2.93Å
17W97.6Very high90.7Very high2 Ų252.8 Ų52.81%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-120.8133.4173.3-68.491.4000109.7I1 C3 I29 G30 L51 A60 M62 F76 C77I1-W17 HydrophobicContact CB-CH2 4.24Å; I1-W17 HydrophobicContact CB-CZ3 3.99Å; I1-W17 HydrophobicContact CG2-CH2 3.87Å; I1-W17 HydrophobicContact CG2-CZ3 3.49Å; I1-W17 VanDerWaalsContact CG2-CZ3 3.49Å; C3-W17 HydrophobicContact CB-CH2 3.8Å; C3-W17 HydrophobicContact CB-CZ2 4.16Å; W17-I29 HydrophobicContact CB-CB 4.13Å; W17-I29 HydrophobicContact CB-CD1 4.41Å; W17-I29 WeakPolarHBondContact O-CB 3.33Å; W17-I29 PolarHBondContact O-N 2.81Å; W17-G30 PolarHBondContact N-O 2.77Å; W17-L51 HydrophobicContact CG-CD2 4Å; W17-A60 HydrophobicContact CZ2-CB 4.15Å; W17-M62 HydrophobicContact CB-CE 4.42Å; W17-M62 HydrophobicContact CB-SD 3.81Å; W17-M62 HydrophobicContact CD2-CB 3.63Å; W17-M62 HydrophobicContact CD2-CE 4.16Å; W17-M62 HydrophobicContact CD2-CG 4.43Å; W17-M62 HydrophobicContact CD2-SD 4.01Å; W17-M62 HydrophobicContact CE3-CB 3.84Å; W17-M62 HydrophobicContact CE3-CE 3.62Å; W17-M62 HydrophobicContact CE3-SD 4.11Å; W17-M62 HydrophobicContact CG-CB 4.19Å; W17-M62 HydrophobicContact CG-SD 3.91Å; W17-M62 HydrophobicContact CH2-CB 4.04Å; W17-M62 HydrophobicContact CZ2-CB 3.85Å; W17-M62 HydrophobicContact CZ3-CB 4.05Å; W17-M62 HydrophobicContact CZ3-CE 4.25Å; W17-F76 WeakPolarHBondContact CA-O 3.48Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.41Å; W17-C77 HydrophobicContact CZ3-CB 4.17Å
18V96.2Very high91Very high9 Ų952.9 Ų52.96%0.05530%0.297CS..EExtended strand (participates in β ladder)trans-139.6142.9-173.8-176.70000108.5L26 E27 Y75 F76 W92V18-L26 HydrophobicContact CG1-CB 3.83Å; V18-L26 HydrophobicContact CG1-CD2 4.02Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.3Å; V18-Y75 CarbonylContact O-C 3.4Å; V18-Y75 WeakPolarHBondContact O-CA 3.36Å; V18-F76 PolarHBondContact N-O 3.09Å; V18-F76 PolarHBondContact O-N 2.84Å; V18-W92 HydrophobicContact CB-CH2 4.04Å; V18-W92 HydrophobicContact CB-CZ3 3.75Å; V18-W92 HydrophobicContact CG1-CH2 4.02Å; V18-W92 HydrophobicContact CG1-CZ3 3.98Å; V18-W92 HydrophobicContact CG2-CH2 3.7Å; V18-W92 HydrophobicContact CG2-CZ3 3.8Å
19M95.4Very high91.5Very high6 Ų650.2 Ų50.23%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-117.4152170.663178.6-69.300112.1S21 E27 I29 F45 A73 V74 Y75M19-S21 WeakPolarHBondContact CE-OG 3.44Å; M19-E27 HydrophobicContact CG-CB 3.99Å; M19-E27 PolarHBondContact N-O 3.01Å; M19-E27 PolarHBondContact O-N 2.85Å; M19-I29 HydrophobicContact CB-CD1 4.06Å; M19-I29 HydrophobicContact CG-CD1 4.23Å; M19-I29 HydrophobicContact CG-CG1 4.23Å; M19-F45 HydrophobicContact CG-CE1 4.38Å; M19-F45 HydrophobicContact CG-CZ 3.99Å; M19-F45 HydrophobicContact SD-CD1 4.47Å; M19-F45 HydrophobicContact SD-CE1 3.25Å; M19-F45 WeakPolarHBondContact SD-CE1 3.45Å; M19-F45 HydrophobicContact SD-CZ 3.3Å; M19-F45 WeakPolarHBondContact SD-CZ 3.4Å; M19-A73 HydrophobicContact CB-CB 4.22Å; M19-A73 HydrophobicContact CE-CB 3.55Å; M19-V74 CarbonylContact C-O 3.57Å; M19-V74 WeakPolarHBondContact CA-O 3.36Å; M19-Y75 HydrophobicContact CB-CD1 3.71Å; M19-Y75 HydrophobicContact CB-CE1 3.65Å; M19-Y75 HydrophobicContact CB-CG 4.4Å; M19-Y75 HydrophobicContact CG-CE1 4.45Å; M19-Y75 HydrophobicContact SD-CE1 4.18Å
20Q95.4Very high91.8Very high77 Ų7746.6 Ų46.636%0.3626%0.261SS..EExtended strand (participates in β ladder)trans-124.9103.2170-165.2177.829.600108.9K24 L26 A73 V74 F76Q20-K24 WeakPolarHBondContact CG-O 3.41Å; Q20-L26 HydrophobicContact CB-CD2 3.84Å; Q20-L26 HydrophobicContact CG-CD2 4.09Å; Q20-A73 WeakPolarHBondContact O-CA 3.3Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 3.25Å; Q20-V74 PolarHBondContact N-O 3.41Å; Q20-V74 PolarHBondContact O-N 2.9Å; Q20-F76 HydrophobicContact CB-CE2 3.87Å
21S91.4Very high92Very high13 Ų1349.2 Ų49.29%0.09127%0.271CS..EExtended strand (participates in β ladder)trans-66.6154.8169.4-59.10000110.2M19 G23 K24M19-S21 WeakPolarHBondContact CE-OG 3.44Å; S21-G23 PolarHBondContact O-N 3.47Å; S21-K24 PolarHBondContact O-N 3.38Å
22H83.5Confident92.1Very high137 Ų13747 Ų4763%0.63426%0.257SS*.THydrogen-bonded Turntrans-53.3116.1-177.3-64.9-171.5000111.3K24H22-K24 VanDerWaalsContact C-N 3.26Å; H22-K24 PolarHBondContact O-N 2.97Å
23G75.7Confident92.4Very high94 Ų9446.1 Ų46.197%0.96924%0.244SC*.THydrogen-bonded Turntrans71.79179.600000115.9S21S21-G23 PolarHBondContact O-N 3.47Å
24K79.4Confident92.7Very high124 Ų12442.7 Ų42.754%0.53923%0.231SC..SBendtrans-105.3166.9178.8-60.3-166.3-174.3171.70112.7Q20 S21 H22Q20-K24 WeakPolarHBondContact CG-O 3.41Å; S21-K24 PolarHBondContact O-N 3.38Å; H22-K24 VanDerWaalsContact C-N 3.26Å; H22-K24 PolarHBondContact O-N 2.97Å
25S87.2Confident92.8Very high90 Ų9049.1 Ų49.163%0.62926%0.256SS*.  trans-62.7160.7170.255.60000111.8
26L92.4Very high92.8Very high89 Ų8952.8 Ų52.847%0.46628%0.276SS..EExtended strand (participates in β ladder)trans-63.1132.8170.1-64.4173.5000110.6V18 Q20 F76 W92V18-L26 HydrophobicContact CG1-CB 3.83Å; V18-L26 HydrophobicContact CG1-CD2 4.02Å; V18-L26 HydrophobicContact CG1-CG 4.4Å; Q20-L26 HydrophobicContact CB-CD2 3.84Å; Q20-L26 HydrophobicContact CG-CD2 4.09Å; L26-F76 HydrophobicContact CD2-CD2 4.44Å; L26-F76 HydrophobicContact CD2-CE2 4.3Å; L26-W92 HydrophobicContact CD1-CH2 4.11Å
27E93.7Very high92.9Very high40 Ų4053.9 Ų53.919%0.18729%0.291CS..EExtended strand (participates in β ladder)trans-116.2117.5174.3-65.6-164.5-133.500109.8V18 M19 K44 F45V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.3Å; M19-E27 HydrophobicContact CG-CB 3.99Å; M19-E27 PolarHBondContact N-O 3.01Å; M19-E27 PolarHBondContact O-N 2.85Å; E27-K44 IonicContact OE2-NZ 2.77Å; E27-K44 PolarHBondContact OE2-NZ 3.26Å; E27-F45 HydrophobicContact CB-CE2 4.43Å; E27-F45 HydrophobicContact CB-CZ 4.4Å
28W94.8Very high92.8Very high94 Ų9457.9 Ų57.936%0.35631%0.313SS..EExtended strand (participates in β ladder)trans-72.1127.3175.9-177.981.5000110.8N16 R31 F40 N42N16-W28 PolarHBondContact OD1-NE1 3.45Å; W28-R31 HydrophobicContact CZ2-CB 4.02Å; W28-R31 HydrophobicContact CZ2-CG 3.99Å; W28-F40 HydrophobicContact CH2-CB 4.23Å; W28-N42 HydrophobicContact CE3-CB 3.79Å; W28-N42 HydrophobicContact CZ3-CB 4Å; W28-N42 VanDerWaalsContact O-CB 3.23Å; W28-N42 WeakPolarHBondContact O-CB 3.23Å; W28-N42 PolarHBondContact O-ND2 2.78Å
29I96.8Very high92.9Very high0 Ų060 Ų600%033%0.325CS..EExtended strand (participates in β ladder)trans-90.5-48-177.5-62.4173000110.2W17 M19 N42 F45 A49 M62 Y75W17-I29 HydrophobicContact CB-CB 4.13Å; W17-I29 HydrophobicContact CB-CD1 4.41Å; W17-I29 WeakPolarHBondContact O-CB 3.33Å; W17-I29 PolarHBondContact O-N 2.81Å; M19-I29 HydrophobicContact CB-CD1 4.06Å; M19-I29 HydrophobicContact CG-CD1 4.23Å; M19-I29 HydrophobicContact CG-CG1 4.23Å; I29-N42 PolarHBondContact O-N 2.79Å; I29-F45 HydrophobicContact CB-CD2 4.21Å; I29-F45 HydrophobicContact CB-CG 4.21Å; I29-F45 HydrophobicContact CG1-CD1 4.18Å; I29-F45 HydrophobicContact CG1-CD2 4.13Å; I29-F45 HydrophobicContact CG1-CE1 4.2Å; I29-F45 HydrophobicContact CG1-CE2 4.12Å; I29-F45 HydrophobicContact CG1-CG 4.15Å; I29-F45 HydrophobicContact CG1-CZ 4.16Å; I29-F45 HydrophobicContact CG2-CB 3.76Å; I29-F45 HydrophobicContact CG2-CD1 4.25Å; I29-F45 HydrophobicContact CG2-CD2 4.31Å; I29-F45 HydrophobicContact CG2-CG 3.84Å; I29-A49 HydrophobicContact CG2-CB 3.78Å; I29-M62 HydrophobicContact CD1-CE 3.76Å; I29-M62 HydrophobicContact CD1-SD 3.68Å; I29-M62 HydrophobicContact CG2-SD 3.89Å; I29-Y75 HydrophobicContact CD1-CD1 3.73Å; I29-Y75 HydrophobicContact CD1-CE1 3.73Å
30G96.7Very high92.9Very high0 Ų065 Ų650%035%0.347CS..EExtended strand (participates in β ladder)trans166.5177.4-172.300000112.2W17 F40W17-G30 PolarHBondContact N-O 2.77Å; G30-F40 CarbonylContact C-O 3.58Å; G30-F40 WeakPolarHBondContact CA-O 3.33Å
31R96.6Very high93Very high62 Ų6264.3 Ų64.323%0.23434%0.342CS..EExtended strand (participates in β ladder)trans-138.9156.2174.171.9-175.1-177.9-179.62.4112F14 M15 N16 W28 T39 F40 E80F14-R31 HydrophobicContact CD1-CB 4.43Å; F14-R31 HydrophobicContact CD1-CG 3.85Å; F14-R31 HydrophobicContact CE1-CG 4.41Å; M15-R31 CarbonylContact O-C 3.58Å; M15-R31 WeakPolarHBondContact O-CA 2.99Å; M15-R31 WeakPolarHBondContact O-CB 3.33Å; N16-R31 WeakPolarHBondContact OD1-CB 3.3Å; W28-R31 HydrophobicContact CZ2-CB 4.02Å; W28-R31 HydrophobicContact CZ2-CG 3.99Å; R31-T39 WeakPolarHBondContact O-CA 3.01Å; R31-F40 HydrophobicContact CG-CB 4.19Å; R31-F40 HydrophobicContact CG-CD2 4.48Å; R31-F40 PolarHBondContact N-O 3.03Å; R31-F40 PolarHBondContact O-N 3.25Å; R31-E80 IonicContact CZ-OE2 3.93Å; R31-E80 VanDerWaalsContact NH1-CD 3.26Å; R31-E80 IonicContact NH1-OE1 2.98Å; R31-E80 PolarHBondContact NH1-OE1 2.79Å; R31-E80 IonicContact NH1-OE2 2.89Å; R31-E80 PolarHBondContact NH1-OE2 2.88Å
32I97.3Very high93.1Very high4 Ų466 Ų662%0.02135%0.35CS..EExtended strand (participates in β ladder)trans-123.9137.8170.9-175.3165.5000109.9F14 M15 P34 D38 T39 L51 T52 A53F14-I32 WeakPolarHBondContact CA-O 3.21Å; M15-I32 HydrophobicContact CB-CG2 4.02Å; M15-I32 PolarHBondContact N-O 3.28Å; M15-I32 PolarHBondContact O-N 2.92Å; I32-P34 WeakPolarHBondContact O-CD 3.45Å; I32-D38 CarbonylContact C-O 3.55Å; I32-D38 WeakPolarHBondContact CA-O 3.01Å; I32-T39 HydrophobicContact CB-CG2 3.97Å; I32-T39 HydrophobicContact CD1-CG2 3.93Å; I32-T39 HydrophobicContact CG1-CG2 3.81Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CD1-CB 4.45Å; I32-L51 HydrophobicContact CG2-CB 4.48Å; I32-T52 VanDerWaalsContact CD1-C 3.46Å; I32-A53 HydrophobicContact CD1-CB 3.93Å
33N96.1Very high93.6Very high14 Ų1466.3 Ų66.38%0.07535%0.352CS..  trans-86110.3163.7-171.8-19.6000108.8F14 Y35 N36 G37 D38F14-N33 HydrophobicContact CD1-CB 3.85Å; F14-N33 HydrophobicContact CE1-CB 3.46Å; F14-N33 VanDerWaalsContact CE1-CB 3.46Å; F14-N33 HydrophobicContact CZ-CB 3.97Å; N33-Y35 PolarHBondContact O-N 3.13Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.11Å; N33-Y35 PolarHBondContact OD1-N 2.88Å; N33-N36 VanDerWaalsContact CB-OD1 3.29Å; N33-N36 WeakPolarHBondContact CB-OD1 3.33Å; N33-G37 VanDerWaalsContact O-CA 3.24Å; N33-G37 WeakPolarHBondContact O-CA 3.47Å; N33-G37 PolarHBondContact O-N 3.12Å; N33-D38 HydrophobicContact CB-CB 4.37Å; N33-D38 PolarHBondContact N-O 3.38Å
34P96.4Very high94.3Very high2 Ų268.4 Ų68.41%0.01333%0.334CS..THydrogen-bonded Turntrans-66.2-18.1178.7-19.134.1000113.6F10 Y13 I32 A53 K55F10-P34 HydrophobicContact CD1-CB 3.8Å; F10-P34 HydrophobicContact CD1-CG 4.3Å; F10-P34 HydrophobicContact CD2-CB 4.48Å; F10-P34 HydrophobicContact CD2-CG 4.1Å; F10-P34 HydrophobicContact CE1-CB 3.45Å; F10-P34 VanDerWaalsContact CE1-CB 3.45Å; F10-P34 HydrophobicContact CE1-CG 3.89Å; F10-P34 HydrophobicContact CE2-CB 4.16Å; F10-P34 HydrophobicContact CE2-CG 3.64Å; F10-P34 HydrophobicContact CG-CB 4.33Å; F10-P34 HydrophobicContact CG-CG 4.42Å; F10-P34 HydrophobicContact CZ-CB 3.65Å; F10-P34 HydrophobicContact CZ-CG 3.53Å; Y13-P34 WeakPolarHBondContact O-CD 3.43Å; I32-P34 WeakPolarHBondContact O-CD 3.45Å; P34-A53 HydrophobicContact CB-CB 4.02Å; P34-K55 WeakPolarHBondContact O-CE 3.48Å
35Y95.3Very high95Very high154 Ų15463.1 Ų63.160%0.60431%0.311SS*.THydrogen-bonded Turntrans-65.7-51.5178.3-179.8-111.8000112.5T11 N33 K55T11-Y35 WeakPolarHBondContact O-CB 3.49Å; N33-Y35 PolarHBondContact O-N 3.13Å; N33-Y35 WeakPolarHBondContact OD1-CB 3.11Å; N33-Y35 PolarHBondContact OD1-N 2.88Å; Y35-K55 WeakPolarHBondContact O-CE 3.42Å; Y35-K55 PolarHBondContact O-NZ 2.9Å
36N95.9Very high95.1Very high81 Ų8165.4 Ų65.443%0.43331%0.31SS..THydrogen-bonded Turntrans-117.9-8.1-17464.64000113.8N33 D38N33-N36 VanDerWaalsContact CB-OD1 3.29Å; N33-N36 WeakPolarHBondContact CB-OD1 3.33Å; N36-D38 VanDerWaalsContact C-N 3.34Å; N36-D38 VanDerWaalsContact CG-CG 3.48Å; N36-D38 VanDerWaalsContact ND2-CG 3.31Å; N36-D38 PolarHBondContact ND2-OD2 3.01Å; N36-D38 VanDerWaalsContact OD1-CB 3.32Å; N36-D38 WeakPolarHBondContact OD1-CB 2.98Å; N36-D38 VanDerWaalsContact OD1-CG 3.3Å; N36-D38 PolarHBondContact OD1-N 2.92Å; N36-D38 PolarHBondContact OD1-OD2 2.84Å
37G96.4Very high95.1Very high40 Ų4064.4 Ų64.441%0.41232%0.32SS..  trans83.36.7-178.800000114.2N33 T39N33-G37 VanDerWaalsContact O-CA 3.24Å; N33-G37 WeakPolarHBondContact O-CA 3.47Å; N33-G37 PolarHBondContact O-N 3.12Å; G37-T39 PolarHBondContact O-N 3Å
38D96.5Very high95.1Very high86 Ų8665.6 Ų65.646%0.4633%0.325SS..  trans-63.1135.4179.2-72.8-14.3000110.6I32 N33 N36I32-D38 CarbonylContact C-O 3.55Å; I32-D38 WeakPolarHBondContact CA-O 3.01Å; N33-D38 HydrophobicContact CB-CB 4.37Å; N33-D38 PolarHBondContact N-O 3.38Å; N36-D38 VanDerWaalsContact C-N 3.34Å; N36-D38 VanDerWaalsContact CG-CG 3.48Å; N36-D38 VanDerWaalsContact ND2-CG 3.31Å; N36-D38 PolarHBondContact ND2-OD2 3.01Å; N36-D38 VanDerWaalsContact OD1-CB 3.32Å; N36-D38 WeakPolarHBondContact OD1-CB 2.98Å; N36-D38 VanDerWaalsContact OD1-CG 3.3Å; N36-D38 PolarHBondContact OD1-N 2.92Å; N36-D38 PolarHBondContact OD1-OD2 2.84Å
39T97.4Very high95.2Very high52 Ų5261.3 Ų61.332%0.31931%0.309SS..EExtended strand (participates in β ladder)trans-123.7141.6-177.951.60000111.4R31 I32 G37 Y41 L51R31-T39 WeakPolarHBondContact O-CA 3.01Å; I32-T39 HydrophobicContact CB-CG2 3.97Å; I32-T39 HydrophobicContact CD1-CG2 3.93Å; I32-T39 HydrophobicContact CG1-CG2 3.81Å; G37-T39 PolarHBondContact O-N 3Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.22Å; T39-L51 HydrophobicContact CG2-CB 3.94Å
40F96.3Very high95.2Very high112 Ų11264.5 Ų64.549%0.49133%0.329SS..EExtended strand (participates in β ladder)trans-125.5137.5170.5-68.5-91.8000108.7W28 G30 R31W28-F40 HydrophobicContact CH2-CB 4.23Å; G30-F40 CarbonylContact C-O 3.58Å; G30-F40 WeakPolarHBondContact CA-O 3.33Å; R31-F40 HydrophobicContact CG-CB 4.19Å; R31-F40 HydrophobicContact CG-CD2 4.48Å; R31-F40 PolarHBondContact N-O 3.03Å; R31-F40 PolarHBondContact O-N 3.25Å
41Y96.6Very high95.3Very high63 Ų6364.9 Ų64.925%0.24733%0.331CS..EExtended strand (participates in β ladder)trans-123.9143.9-177.4-63.6-90.5000110.1T39 A49 L51T39-Y41 WeakPolarHBondContact OG1-CE2 3.22Å; Y41-A49 HydrophobicContact CE1-CB 4.35Å; Y41-A49 WeakPolarHBondContact CE1-O 3.37Å; Y41-L51 HydrophobicContact CE1-CD1 4.07Å; Y41-L51 HydrophobicContact CE1-CG 3.69Å; Y41-L51 PolarHBondContact OH-N 2.9Å
42N94.9Very high95.4Very high48 Ų4865.3 Ų65.326%0.25734%0.341SS..  trans-67.4137.3157-179.2-23.7000108.9W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.79Å; W28-N42 HydrophobicContact CZ3-CB 4Å; W28-N42 VanDerWaalsContact O-CB 3.23Å; W28-N42 WeakPolarHBondContact O-CB 3.23Å; W28-N42 PolarHBondContact O-ND2 2.78Å; I29-N42 PolarHBondContact O-N 2.79Å; N42-K44 PolarHBondContact O-N 3.12Å; N42-K44 VanDerWaalsContact O-N 3.12Å; N42-K44 PolarHBondContact OD1-N 2.93Å; N42-K44 VanDerWaalsContact OD1-N 3.12Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 PolarHBondContact O-N 3.17Å; N42-K46 PolarHBondContact O-N 2.85Å
43Q94.3Very high95.4Very high144 Ų14466.7 Ų66.767%0.67335%0.353SS*.G310 helixtrans-55.3-33.2-177.3-66.3-64.9-12.100113F45 K46Q43-F45 PolarHBondContact O-N 3.12Å; Q43-K46 PolarHBondContact O-N 2.83Å
44K90.4Very high95.5Very high137 Ų13768.7 Ų68.760%0.59636%0.364SS*.G310 helixtrans-59.5-30.6176.6-72-178.2173.7-178.60113.8E27 N42E27-K44 IonicContact OE2-NZ 2.77Å; E27-K44 PolarHBondContact OE2-NZ 3.26Å; N42-K44 PolarHBondContact O-N 3.12Å; N42-K44 VanDerWaalsContact O-N 3.12Å; N42-K44 PolarHBondContact OD1-N 2.93Å; N42-K44 VanDerWaalsContact OD1-N 3.12Å
45F92.3Very high95.5Very high13 Ų1374.2 Ų74.26%0.05739%0.388CS..G310 helixtrans-107.6-3.4-173.9-61.7-78.2000113.1M19 E27 I29 N42 Q43 G47 K48 A49M19-F45 HydrophobicContact CG-CE1 4.38Å; M19-F45 HydrophobicContact CG-CZ 3.99Å; M19-F45 HydrophobicContact SD-CD1 4.47Å; M19-F45 HydrophobicContact SD-CE1 3.25Å; M19-F45 WeakPolarHBondContact SD-CE1 3.45Å; M19-F45 HydrophobicContact SD-CZ 3.3Å; M19-F45 WeakPolarHBondContact SD-CZ 3.4Å; E27-F45 HydrophobicContact CB-CE2 4.43Å; E27-F45 HydrophobicContact CB-CZ 4.4Å; I29-F45 HydrophobicContact CB-CD2 4.21Å; I29-F45 HydrophobicContact CB-CG 4.21Å; I29-F45 HydrophobicContact CG1-CD1 4.18Å; I29-F45 HydrophobicContact CG1-CD2 4.13Å; I29-F45 HydrophobicContact CG1-CE1 4.2Å; I29-F45 HydrophobicContact CG1-CE2 4.12Å; I29-F45 HydrophobicContact CG1-CG 4.15Å; I29-F45 HydrophobicContact CG1-CZ 4.16Å; I29-F45 HydrophobicContact CG2-CB 3.76Å; I29-F45 HydrophobicContact CG2-CD1 4.25Å; I29-F45 HydrophobicContact CG2-CD2 4.31Å; I29-F45 HydrophobicContact CG2-CG 3.84Å; N42-F45 HydrophobicContact CB-CD2 4.04Å; N42-F45 PolarHBondContact O-N 3.17Å; Q43-F45 PolarHBondContact O-N 3.12Å; F45-G47 PolarHBondContact O-N 2.95Å; F45-K48 PolarHBondContact O-N 3.01Å; F45-A49 HydrophobicContact CB-CB 4.46Å; F45-A49 PolarHBondContact O-N 2.79Å
46K91.1Very high95.5Very high139 Ų13972 Ų7260%0.60440%0.395SS*.BIsolated β-bridgetrans-61.4122176.5-166.1174.9-176.9179.10109.2N42 Q43 K48N42-K46 PolarHBondContact O-N 2.85Å; Q43-K46 PolarHBondContact O-N 2.83Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 2.03Å
47G90.8Very high95.6Very high67 Ų6769.9 Ų69.969%0.69139%0.386SS*.THydrogen-bonded Turntrans85.9-13.5-176.400000115.3F45F45-G47 PolarHBondContact O-N 2.95Å
48K93.6Very high95.6Very high66 Ų6669.9 Ų69.929%0.28738%0.379SS..THydrogen-bonded Turntrans-92.6-36.4169.3-77.1-166.2169.5-157.50112.6F45 K46 L64 S65 D71F45-K48 PolarHBondContact O-N 3.01Å; K46-K48 VanDerWaalsContact C-N 3.29Å; K46-K48 PolarHBondContact O-N 2.03Å; K48-L64 WeakPolarHBondContact O-CA 3.35Å; K48-S65 PolarHBondContact O-N 2.8Å; K48-S65 PolarHBondContact O-OG 3.05Å; K48-D71 VanDerWaalsContact NZ-CG 3.35Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 2.97Å; K48-D71 IonicContact NZ-OD2 3.01Å; K48-D71 PolarHBondContact NZ-OD2 2.95Å
49A96.8Very high95.7Very high3 Ų366.2 Ų66.23%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-110.5138.9-179.300000111I29 Y41 F45 M62 Q63 L64I29-A49 HydrophobicContact CG2-CB 3.78Å; Y41-A49 HydrophobicContact CE1-CB 4.35Å; Y41-A49 WeakPolarHBondContact CE1-O 3.37Å; F45-A49 HydrophobicContact CB-CB 4.46Å; F45-A49 PolarHBondContact O-N 2.79Å; A49-M62 HydrophobicContact CB-CG 4.36Å; A49-M62 HydrophobicContact CB-SD 4.34Å; A49-Q63 CarbonylContact C-O 3.51Å; A49-Q63 WeakPolarHBondContact CA-O 3.5Å; A49-L64 HydrophobicContact CB-CD2 3.95Å
50T98.1Very high95.8Very high67 Ų6763.8 Ų63.841%0.41135%0.345SS..EExtended strand (participates in β ladder)trans-121.4121.8167.9-60.30000108.4T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.31Å; T50-M62 WeakPolarHBondContact O-CA 3.34Å; T50-Q63 PolarHBondContact N-O 2.86Å; T50-Q63 PolarHBondContact O-N 3.44Å
51L98.4Very high95.9Very high8 Ų862.3 Ų62.34%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-100.4133179.4-50.1-177.1000110.3W17 I32 T39 Y41 Y61 M62W17-L51 HydrophobicContact CG-CD2 4Å; I32-L51 HydrophobicContact CB-CB 4.12Å; I32-L51 HydrophobicContact CD1-CB 4.45Å; I32-L51 HydrophobicContact CG2-CB 4.48Å; T39-L51 HydrophobicContact CG2-CB 3.94Å; Y41-L51 HydrophobicContact CE1-CD1 4.07Å; Y41-L51 HydrophobicContact CE1-CG 3.69Å; Y41-L51 PolarHBondContact OH-N 2.9Å; L51-Y61 WeakPolarHBondContact CA-O 3.49Å; L51-M62 HydrophobicContact CD2-CB 3.77Å; L51-M62 HydrophobicContact CD2-CG 3.68Å; L51-M62 HydrophobicContact CD2-SD 4.02Å
52T98.4Very high95.9Very high71 Ų7159.4 Ų59.444%0.43633%0.326SS..EExtended strand (participates in β ladder)trans-138.9164.9175.165.50000110.8I32 T50 A60 Y61I32-T52 VanDerWaalsContact CD1-C 3.46Å; T50-T52 HydrophobicContact CG2-CG2 4.31Å; T52-A60 WeakPolarHBondContact O-CA 3.36Å; T52-Y61 PolarHBondContact N-O 3.25Å; T52-Y61 PolarHBondContact O-N 3.21Å
53A98.2Very high96.1Very high34 Ų3463.5 Ų63.528%0.28134%0.343SS..EExtended strand (participates in β ladder)trans-143138.5177.700000110.8F10 I32 P34 T59F10-A53 HydrophobicContact CE1-CB 4.12Å; F10-A53 HydrophobicContact CZ-CB 4.07Å; I32-A53 HydrophobicContact CD1-CB 3.93Å; P34-A53 HydrophobicContact CB-CB 4.02Å; A53-T59 WeakPolarHBondContact CA-O 3.45Å
54D97.9Very high96.2Very high56 Ų5658.1 Ų58.130%0.29932%0.319SS..EExtended strand (participates in β ladder)trans-108.5111.5169.5173.614.7000109.2S56 S57 S58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.3Å; D54-S56 PolarHBondContact O-N 2.99Å; D54-S56 WeakPolarHBondContact OD1-CB 3.25Å; D54-S56 PolarHBondContact OD1-N 2.82Å; D54-S56 PolarHBondContact OD1-OG 3.24Å; D54-S56 PolarHBondContact OD2-OG 2.87Å; D54-S57 VanDerWaalsContact CG-OG 3.24Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.39Å; D54-S57 PolarHBondContact OD2-N 2.89Å; D54-S57 PolarHBondContact OD2-OG 2.78Å; D54-S58 WeakPolarHBondContact O-CA 3.29Å; D54-S58 PolarHBondContact O-N 2.85Å; D54-S58 VanDerWaalsContact O-N 3.08Å; D54-T59 PolarHBondContact N-O 3.19Å; D54-T59 PolarHBondContact O-N 3Å; D54-Y61 HydrophobicContact CB-CE2 3.96Å
55K95.9Very high96.3Very high118 Ų11853.8 Ų53.851%0.51331%0.306SS..THydrogen-bonded Turntrans-65.6-35.1179.8-62.9173.8177.7174.40111.9T11 P34 Y35 S58T11-K55 HydrophobicContact CG2-CD 4.42Å; T11-K55 HydrophobicContact CG2-CG 4.12Å; P34-K55 WeakPolarHBondContact O-CE 3.48Å; Y35-K55 WeakPolarHBondContact O-CE 3.42Å; Y35-K55 PolarHBondContact O-NZ 2.9Å; K55-S58 PolarHBondContact O-N 2.9Å
56S95.9Very high96.2Very high108 Ų10858.3 Ų58.376%0.75534%0.339SS*.THydrogen-bonded Turntrans-68.2-39.3-174.172.20000111.9D54D54-S56 VanDerWaalsContact C-N 3.31Å; D54-S56 VanDerWaalsContact CG-OG 3.3Å; D54-S56 PolarHBondContact O-N 2.99Å; D54-S56 WeakPolarHBondContact OD1-CB 3.25Å; D54-S56 PolarHBondContact OD1-N 2.82Å; D54-S56 PolarHBondContact OD1-OG 3.24Å; D54-S56 PolarHBondContact OD2-OG 2.87Å
57S97.3Very high96.2Very high35 Ų3554.4 Ų54.425%0.24533%0.325CS..THydrogen-bonded Turntrans-93.7-3.4177.166.70000113.8D54 T59D54-S57 VanDerWaalsContact CG-OG 3.24Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.39Å; D54-S57 PolarHBondContact OD2-N 2.89Å; D54-S57 PolarHBondContact OD2-OG 2.78Å; S57-T59 VanDerWaalsContact C-N 3.26Å; S57-T59 PolarHBondContact O-N 2.98Å; S57-T59 PolarHBondContact O-OG1 2.96Å; S57-T59 WeakPolarHBondContact OG-CB 3.44Å; S57-T59 PolarHBondContact OG-OG1 3.38Å; S57-T59 VanDerWaalsContact OG-OG1 3.09Å
58S97.2Very high96.3Very high40 Ų4054.2 Ų54.228%0.2831%0.31SS..THydrogen-bonded Turntrans53.442.5-171.9-62.60000112.7A5 F10 D54 K55A5-S58 WeakPolarHBondContact CB-O 3.3Å; A5-S58 PolarHBondContact N-O 3.45Å; F10-S58 VanDerWaalsContact CD1-CA 3.5Å; D54-S58 WeakPolarHBondContact O-CA 3.29Å; D54-S58 PolarHBondContact O-N 2.85Å; D54-S58 VanDerWaalsContact O-N 3.08Å; K55-S58 PolarHBondContact O-N 2.9Å
59T98.3Very high96.2Very high10 Ų1054.3 Ų54.36%0.06132%0.319CS..EExtended strand (participates in β ladder)trans-120.9128.5-174.9-51.70000110.8C3 K4 A53 D54 S57 Y61C3-T59 WeakPolarHBondContact O-CA 3.4Å; K4-T59 HydrophobicContact CB-CG2 4.47Å; A53-T59 WeakPolarHBondContact CA-O 3.45Å; D54-T59 PolarHBondContact N-O 3.19Å; D54-T59 PolarHBondContact O-N 3Å; S57-T59 VanDerWaalsContact C-N 3.26Å; S57-T59 PolarHBondContact O-N 2.98Å; S57-T59 PolarHBondContact O-OG1 2.96Å; S57-T59 WeakPolarHBondContact OG-CB 3.44Å; S57-T59 PolarHBondContact OG-OG1 3.38Å; S57-T59 VanDerWaalsContact OG-OG1 3.09Å; T59-Y61 HydrophobicContact CG2-CD1 4.33Å; T59-Y61 HydrophobicContact CG2-CD2 4.37Å; T59-Y61 HydrophobicContact CG2-CE1 3.7Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å; T59-Y61 WeakPolarHBondContact O-CE2 3.5Å
60A98.1Very high95.8Very high0 Ų061.8 Ų61.80%035%0.354CS..EExtended strand (participates in β ladder)trans-94149.8167.400000110.1S2 C3 F10 M15 W17 T52S2-A60 CarbonylContact C-O 3.58Å; S2-A60 WeakPolarHBondContact CA-O 3.28Å; C3-A60 PolarHBondContact N-O 3.32Å; C3-A60 PolarHBondContact O-N 3Å; F10-A60 HydrophobicContact CE2-CB 4.25Å; F10-A60 HydrophobicContact CZ-CB 3.98Å; M15-A60 HydrophobicContact CB-CB 3.98Å; M15-A60 HydrophobicContact CG-CB 3.62Å; W17-A60 HydrophobicContact CZ2-CB 4.15Å; T52-A60 WeakPolarHBondContact O-CA 3.36Å
61Y98.5Very high95.5Very high82 Ų8259.2 Ų59.232%0.32234%0.337SS..EExtended strand (participates in β ladder)trans-131.1144.9178.8-54.6-93000110.8I1 L51 T52 D54 T59I1-Y61 CarbonylContact O-C 3.57Å; I1-Y61 VanDerWaalsContact O-CA 3.29Å; I1-Y61 WeakPolarHBondContact O-CA 3.45Å; L51-Y61 WeakPolarHBondContact CA-O 3.49Å; T52-Y61 PolarHBondContact N-O 3.25Å; T52-Y61 PolarHBondContact O-N 3.21Å; D54-Y61 HydrophobicContact CB-CE2 3.96Å; T59-Y61 HydrophobicContact CG2-CD1 4.33Å; T59-Y61 HydrophobicContact CG2-CD2 4.37Å; T59-Y61 HydrophobicContact CG2-CE1 3.7Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.37Å; T59-Y61 WeakPolarHBondContact O-CE2 3.5Å
62M98.3Very high95.3Very high2 Ų259.8 Ų59.81%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-123117.8166176.2170.570.300108.4I1 W17 I29 A49 T50 L51 L64 Y75I1-M62 HydrophobicContact CD1-CE 3.68Å; I1-M62 PolarHBondContact N-O 3.05Å; I1-M62 PolarHBondContact O-N 2.93Å; W17-M62 HydrophobicContact CB-CE 4.42Å; W17-M62 HydrophobicContact CB-SD 3.81Å; W17-M62 HydrophobicContact CD2-CB 3.63Å; W17-M62 HydrophobicContact CD2-CE 4.16Å; W17-M62 HydrophobicContact CD2-CG 4.43Å; W17-M62 HydrophobicContact CD2-SD 4.01Å; W17-M62 HydrophobicContact CE3-CB 3.84Å; W17-M62 HydrophobicContact CE3-CE 3.62Å; W17-M62 HydrophobicContact CE3-SD 4.11Å; W17-M62 HydrophobicContact CG-CB 4.19Å; W17-M62 HydrophobicContact CG-SD 3.91Å; W17-M62 HydrophobicContact CH2-CB 4.04Å; W17-M62 HydrophobicContact CZ2-CB 3.85Å; W17-M62 HydrophobicContact CZ3-CB 4.05Å; W17-M62 HydrophobicContact CZ3-CE 4.25Å; I29-M62 HydrophobicContact CD1-CE 3.76Å; I29-M62 HydrophobicContact CD1-SD 3.68Å; I29-M62 HydrophobicContact CG2-SD 3.89Å; A49-M62 HydrophobicContact CB-CG 4.36Å; A49-M62 HydrophobicContact CB-SD 4.34Å; T50-M62 WeakPolarHBondContact O-CA 3.34Å; L51-M62 HydrophobicContact CD2-CB 3.77Å; L51-M62 HydrophobicContact CD2-CG 3.68Å; L51-M62 HydrophobicContact CD2-SD 4.02Å; M62-L64 HydrophobicContact CE-CD1 4.29Å; M62-L64 HydrophobicContact CE-CD2 4.33Å; M62-L64 HydrophobicContact CE-CG 4.38Å; M62-L64 HydrophobicContact CG-CD2 4.15Å; M62-L64 HydrophobicContact CG-CG 4.31Å; M62-L64 HydrophobicContact SD-CD2 4.1Å; M62-Y75 HydrophobicContact CE-CD1 3.45Å; M62-Y75 VanDerWaalsContact CE-CD1 3.45Å; M62-Y75 HydrophobicContact CE-CE1 4.01Å; M62-Y75 HydrophobicContact CE-CG 4.22Å
63Q98Very high95.1Very high133 Ų13356.4 Ų56.462%0.62132%0.321SS*.EExtended strand (participates in β ladder)trans-94.2130.6168.7-176.8175.8-2.100108.5A49 T50A49-Q63 CarbonylContact C-O 3.51Å; A49-Q63 WeakPolarHBondContact CA-O 3.5Å; T50-Q63 PolarHBondContact N-O 2.86Å; T50-Q63 PolarHBondContact O-N 3.44Å
64L95.8Very high95.1Very high31 Ų3156.3 Ų56.316%0.16232%0.317CS..EExtended strand (participates in β ladder)trans-109.4138.3174.4-65.1171.5000109.1I1 K48 A49 M62 L67 Y75 L98I1-L64 HydrophobicContact CD1-CD1 4.14Å; K48-L64 WeakPolarHBondContact O-CA 3.35Å; A49-L64 HydrophobicContact CB-CD2 3.95Å; M62-L64 HydrophobicContact CE-CD1 4.29Å; M62-L64 HydrophobicContact CE-CD2 4.33Å; M62-L64 HydrophobicContact CE-CG 4.38Å; M62-L64 HydrophobicContact CG-CD2 4.15Å; M62-L64 HydrophobicContact CG-CG 4.31Å; M62-L64 HydrophobicContact SD-CD2 4.1Å; L64-L67 HydrophobicContact CB-CD1 4.11Å; L64-L67 HydrophobicContact CB-CD2 3.86Å; L64-L67 HydrophobicContact CB-CG 4.16Å; L64-L67 HydrophobicContact CD1-CD2 4.2Å; L64-Y75 HydrophobicContact CD1-CD1 4.33Å; L64-Y75 HydrophobicContact CD1-CE1 3.67Å; L64-Y75 HydrophobicContact CD1-CE2 4.23Å; L64-L98 HydrophobicContact CD1-CD2 3.72Å
65S93.9Very high95.1Very high46 Ų4653.9 Ų53.932%0.32230%0.304SS..  trans-127.5158.6178.653.40000111.4K48 L67K48-S65 PolarHBondContact O-N 2.8Å; K48-S65 PolarHBondContact O-OG 3.05Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.87Å
66S90.5Very high95.1Very high108 Ų10849.9 Ų49.976%0.75529%0.287SS*.SBendtrans52.642.8176-58.70000113.8
67L91.2Very high95.1Very high57 Ų5745.5 Ų45.530%0.29826%0.255SS..  trans-69.3140.8-177.7-69.3174.5000112L64 S65 D71 L98 V100L64-L67 HydrophobicContact CB-CD1 4.11Å; L64-L67 HydrophobicContact CB-CD2 3.86Å; L64-L67 HydrophobicContact CB-CG 4.16Å; L64-L67 HydrophobicContact CD1-CD2 4.2Å; S65-L67 VanDerWaalsContact C-N 3.26Å; S65-L67 PolarHBondContact O-N 2.87Å; L67-D71 WeakPolarHBondContact CA-OD2 3.19Å; L67-D71 HydrophobicContact CD2-CB 3.59Å; L67-L98 HydrophobicContact CD1-CD2 3.81Å; L67-V100 HydrophobicContact CB-CG1 4.19Å; L67-V100 HydrophobicContact CB-CG2 3.98Å; L67-V100 HydrophobicContact CD1-CG2 4.05Å
68T91.6Very high95Very high63 Ų6344 Ų4439%0.38725%0.246SC..  trans-115172.6169.571.20000110.5E70 D71 V100T68-E70 PolarHBondContact O-N 2.96Å; T68-E70 VanDerWaalsContact O-N 3.17Å; T68-E70 PolarHBondContact OG1-N 3Å; T68-D71 PolarHBondContact N-OD2 3.04Å; T68-D71 WeakPolarHBondContact O-CB 3.32Å; T68-D71 PolarHBondContact O-N 2.93Å; T68-V100 WeakPolarHBondContact O-CB 3.4Å; T68-V100 WeakPolarHBondContact O-CG1 2.87Å
69S91.6Very high94.7Very high68 Ų6844.1 Ų44.148%0.47624%0.24SC..G310 helixtrans-58-27.8176.452.30000113.5D71 S72 V100S69-D71 PolarHBondContact O-N 2.74Å; S69-S72 VanDerWaalsContact O-CB 3.3Å; S69-S72 WeakPolarHBondContact O-CB 3.18Å; S69-S72 PolarHBondContact O-N 2.87Å; S69-S72 PolarHBondContact O-OG 2.87Å; S69-V100 VanDerWaalsContact CA-O 3.3Å; S69-V100 WeakPolarHBondContact CA-O 3.19Å
70E88.5Confident94Very high161 Ų16146.6 Ų46.675%0.75225%0.251SS*.G310 helixtrans-68.3-22.2176.4-59.9-177.4167.700113.4T68 S72T68-E70 PolarHBondContact O-N 2.96Å; T68-E70 VanDerWaalsContact O-N 3.17Å; T68-E70 PolarHBondContact OG1-N 3Å; E70-S72 PolarHBondContact O-N 3.02Å
71D91.3Very high92.6Very high13 Ų1348.6 Ų48.67%0.0727%0.272CS..G310 helixtrans-80.21.1175.8-61-54.9000111.8K48 L67 T68 S69 A73 Y75K48-D71 VanDerWaalsContact NZ-CG 3.35Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 2.97Å; K48-D71 IonicContact NZ-OD2 3.01Å; K48-D71 PolarHBondContact NZ-OD2 2.95Å; L67-D71 WeakPolarHBondContact CA-OD2 3.19Å; L67-D71 HydrophobicContact CD2-CB 3.59Å; T68-D71 PolarHBondContact N-OD2 3.04Å; T68-D71 WeakPolarHBondContact O-CB 3.32Å; T68-D71 PolarHBondContact O-N 2.93Å; S69-D71 PolarHBondContact O-N 2.74Å; D71-A73 PolarHBondContact O-N 3.14Å; D71-Y75 PolarHBondContact O-OH 3.04Å
72S94.3Very high90.8Very high19 Ų1948 Ų4813%0.13327%0.274CS..  trans-65.1119.4173.3-59.80000111.2S69 E70 L98 V100S69-S72 VanDerWaalsContact O-CB 3.3Å; S69-S72 WeakPolarHBondContact O-CB 3.18Å; S69-S72 PolarHBondContact O-N 2.87Å; S69-S72 PolarHBondContact O-OG 2.87Å; E70-S72 PolarHBondContact O-N 3.02Å; S72-L98 VanDerWaalsContact CA-O 3.3Å; S72-L98 WeakPolarHBondContact CA-O 3.26Å; S72-V100 PolarHBondContact OG-N 2.69Å; S72-V100 PolarHBondContact OG-O 3.31Å
73A95.9Very high88.7Confident0 Ų057.3 Ų57.30%031%0.31CS..EExtended strand (participates in β ladder)trans-164.4170.4-171.500000112.2M19 Q20 D71 Y75 L98M19-A73 HydrophobicContact CB-CB 4.22Å; M19-A73 HydrophobicContact CE-CB 3.55Å; Q20-A73 WeakPolarHBondContact O-CA 3.3Å; Q20-A73 VanDerWaalsContact O-CB 3.28Å; Q20-A73 WeakPolarHBondContact O-CB 3.25Å; D71-A73 PolarHBondContact O-N 3.14Å; A73-Y75 HydrophobicContact CB-CD2 4.31Å; A73-Y75 HydrophobicContact CB-CE2 3.84Å; A73-L98 PolarHBondContact N-O 3.15Å; A73-L98 PolarHBondContact O-N 2.64Å
74V97.3Very high86.3Confident33 Ų3358.2 Ų58.220%0.232%0.319CS..EExtended strand (participates in β ladder)trans-90128.1161-170.20000108.6M19 Q20 F76 T96M19-V74 CarbonylContact C-O 3.57Å; M19-V74 WeakPolarHBondContact CA-O 3.36Å; Q20-V74 PolarHBondContact N-O 3.41Å; Q20-V74 PolarHBondContact O-N 2.9Å; V74-F76 HydrophobicContact CB-CE2 3.76Å; V74-F76 HydrophobicContact CB-CZ 3.86Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 3.86Å; V74-F76 HydrophobicContact CG1-CE2 3.57Å; V74-F76 HydrophobicContact CG1-CZ 3.31Å; V74-T96 CarbonylContact C-O 3.46Å; V74-T96 WeakPolarHBondContact CA-O 3.46Å
75Y97.3Very high84.1Confident4 Ų468.1 Ų68.12%0.01636%0.356CS..EExtended strand (participates in β ladder)trans-109129.5179.8-71-91.9000110.5I1 V18 M19 I29 M62 L64 D71 A73 G95 T96 L98I1-Y75 HydrophobicContact CD1-CD1 4.1Å; I1-Y75 HydrophobicContact CD1-CD2 4.03Å; I1-Y75 HydrophobicContact CD1-CG 3.64Å; V18-Y75 CarbonylContact O-C 3.4Å; V18-Y75 WeakPolarHBondContact O-CA 3.36Å; M19-Y75 HydrophobicContact CB-CD1 3.71Å; M19-Y75 HydrophobicContact CB-CE1 3.65Å; M19-Y75 HydrophobicContact CB-CG 4.4Å; M19-Y75 HydrophobicContact CG-CE1 4.45Å; M19-Y75 HydrophobicContact SD-CE1 4.18Å; I29-Y75 HydrophobicContact CD1-CD1 3.73Å; I29-Y75 HydrophobicContact CD1-CE1 3.73Å; M62-Y75 HydrophobicContact CE-CD1 3.45Å; M62-Y75 VanDerWaalsContact CE-CD1 3.45Å; M62-Y75 HydrophobicContact CE-CE1 4.01Å; M62-Y75 HydrophobicContact CE-CG 4.22Å; L64-Y75 HydrophobicContact CD1-CD1 4.33Å; L64-Y75 HydrophobicContact CD1-CE1 3.67Å; L64-Y75 HydrophobicContact CD1-CE2 4.23Å; D71-Y75 PolarHBondContact O-OH 3.04Å; A73-Y75 HydrophobicContact CB-CD2 4.31Å; A73-Y75 HydrophobicContact CB-CE2 3.84Å; Y75-G95 CarbonylContact O-C 3.51Å; Y75-G95 WeakPolarHBondContact O-CA 3.29Å; Y75-T96 PolarHBondContact N-O 3.48Å; Y75-T96 PolarHBondContact O-N 3.48Å; Y75-L98 HydrophobicContact CD2-CB 3.77Å; Y75-L98 HydrophobicContact CD2-CD2 4.31Å; Y75-L98 HydrophobicContact CE2-CB 3.66Å; Y75-L98 HydrophobicContact CE2-CD2 3.68Å; Y75-L98 HydrophobicContact CE2-CG 4.25Å
76F96.7Very high81.9Confident35 Ų3572.6 Ų72.615%0.15438%0.377CS..EExtended strand (participates in β ladder)trans-117.4152.3-177.8-54.5-92.5000110.6W17 V18 Q20 L26 V74 W92W17-F76 WeakPolarHBondContact CA-O 3.48Å; V18-F76 PolarHBondContact N-O 3.09Å; V18-F76 PolarHBondContact O-N 2.84Å; Q20-F76 HydrophobicContact CB-CE2 3.87Å; L26-F76 HydrophobicContact CD2-CD2 4.44Å; L26-F76 HydrophobicContact CD2-CE2 4.3Å; V74-F76 HydrophobicContact CB-CE2 3.76Å; V74-F76 HydrophobicContact CB-CZ 3.86Å; V74-F76 HydrophobicContact CG1-CD2 4.32Å; V74-F76 HydrophobicContact CG1-CE1 3.86Å; V74-F76 HydrophobicContact CG1-CE2 3.57Å; V74-F76 HydrophobicContact CG1-CZ 3.31Å; F76-W92 HydrophobicContact CB-CE3 3.65Å; F76-W92 HydrophobicContact CB-CZ3 3.82Å; F76-W92 HydrophobicContact CD1-CE3 4.46Å; F76-W92 HydrophobicContact CG-CE3 4.12Å; F76-W92 HydrophobicContact CG-CZ3 4.3Å
77C96.1Very high79.9Confident15 Ų1576.7 Ų76.710%0.10138%0.384CS..EExtended strand (participates in β ladder)trans-109.9147.1161.359.60000109.2C3 M15 N16 W17 W92 G93C3-C77 HydrophobicContact CB-CB 3.46Å; C3-C77 VanDerWaalsContact CB-CB 3.46Å; C3-C77 WeakPolarHBondContact CB-SG 3.47Å; C3-C77 WeakPolarHBondContact SG-CB 3.46Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.19Å; M15-C77 HydrophobicContact CG-CB 4.37Å; M15-C77 HydrophobicContact SD-CB 3.71Å; N16-C77 CarbonylContact O-C 3.54Å; N16-C77 WeakPolarHBondContact O-CA 3.42Å; W17-C77 HydrophobicContact CE3-CB 4.28Å; W17-C77 HydrophobicContact CH2-CB 4.41Å; W17-C77 HydrophobicContact CZ3-CB 4.17Å; C77-W92 WeakPolarHBondContact O-CA 3.32Å; C77-G93 PolarHBondContact O-N 3.33Å
78A94.1Very high77.8Confident5 Ų576.6 Ų76.64%0.04140%0.397CS..EExtended strand (participates in β ladder)trans-139.6140.8177.500000111.1N16 Y91 W92N16-A78 HydrophobicContact CB-CB 4.29Å; N16-A78 WeakPolarHBondContact CB-O 3.38Å; N16-A78 PolarHBondContact N-O 3.38Å; N16-A78 PolarHBondContact O-N 2.81Å; A78-Y91 WeakPolarHBondContact CA-O 3.45Å; A78-W92 HydrophobicContact CB-CD2 3.78Å; A78-W92 HydrophobicContact CB-CE3 3.98Å; A78-W92 HydrophobicContact CB-CG 4.25Å; A78-W92 HydrophobicContact CB-CH2 4.39Å; A78-W92 HydrophobicContact CB-CZ2 4.19Å; A78-W92 HydrophobicContact CB-CZ3 4.3Å
79R91.1Very high76.1Confident41 Ų4175.9 Ų75.916%0.15540%0.402CS..EExtended strand (participates in β ladder)trans-87.2131.2176.3-174.1-171.976173.98.4110.6Y8 Y13 Y91Y8-R79 VanDerWaalsContact CE2-CD 3.47Å; Y8-R79 HydrophobicContact CE2-CG 4.04Å; Y8-R79 VanDerWaalsContact CZ-CD 3.45Å; Y13-R79 HydrophobicContact CD1-CG 3.76Å; Y13-R79 HydrophobicContact CG-CG 3.77Å; R79-Y91 VanDerWaalsContact CZ-CD2 3.43Å; R79-Y91 PolarHBondContact N-O 3.46Å
80E83.2Confident74.9Confident62 Ų6277.4 Ų77.429%0.2941%0.405SS..EExtended strand (participates in β ladder)trans-121.4133.6173.2176.8-171.6-168.600110.2Y13 F14 N16 R31Y13-E80 WeakPolarHBondContact CA-O 3.4Å; Y13-E80 WeakPolarHBondContact CB-O 3.41Å; F14-E80 HydrophobicContact CB-CB 4.28Å; F14-E80 PolarHBondContact N-O 3.14Å; F14-E80 PolarHBondContact O-N 2.98Å; N16-E80 WeakPolarHBondContact ND2-CB 3.5Å; N16-E80 PolarHBondContact ND2-OE2 2.93Å; R31-E80 IonicContact CZ-OE2 3.93Å; R31-E80 VanDerWaalsContact NH1-CD 3.26Å; R31-E80 IonicContact NH1-OE1 2.98Å; R31-E80 PolarHBondContact NH1-OE1 2.79Å; R31-E80 IonicContact NH1-OE2 2.89Å; R31-E80 PolarHBondContact NH1-OE2 2.88Å
81G69.1Low74.7Confident43 Ų4377 Ų7744%0.44340%0.397SS..EExtended strand (participates in β ladder)trans-75.1144.817800000113.3
82D60.3Low74.7Confident68 Ų6881.4 Ų81.436%0.36441%0.413SS..SBendtrans-89.1-20.3-179.7-151.513.7000112.3F14F14-D82 WeakPolarHBondContact CE2-OD1 2.96Å
83Y54.6Low74.6Confident198 Ų19881.8 Ų81.878%0.77642%0.421SS*.SBendtrans-144.299.2-176.7-56.3-84.8000111.1
84D48.8Very low74.6Confident152 Ų15290.6 Ų90.681%0.81346%0.462SS*.  trans144.2125.4148.6-89.6-32.5000111.2D86D84-D86 PolarHBondContact O-N 2.81Å; D84-D86 VanDerWaalsContact O-N 3.17Å
85Y49.7Very low74.5Confident240 Ų24090.6 Ų90.694%0.94147%0.468SS*.SBendtrans-75.912-178.7-78.7-87000113.7
86D47.2Very low74.5Confident140 Ų14093.6 Ų93.675%0.74949%0.487SS*.SBendtrans-134.7113.6-179.5-83-44.4000110.6D84D84-D86 PolarHBondContact O-N 2.81Å; D84-D86 VanDerWaalsContact O-N 3.17Å
87E48.2Very low74.5Confident193 Ų19396.2 Ų96.290%0.90251%0.506SS*.  trans7232.9157.5-52.5-162.7166.400120.2G89E87-G89 PolarHBondContact O-N 3.2Å; E87-G89 VanDerWaalsContact O-N 3.13Å
88G47.9Very low74.4Confident55 Ų5597.9 Ų97.957%0.56751%0.514SS*.  trans-82.774.4164.900000112.2D90G88-D90 PolarHBondContact O-N 2.84Å; G88-D90 VanDerWaalsContact O-N 3.12Å
89G54.3Low74.5Confident49 Ų49102.5 Ų102.551%0.50554%0.541SS..  trans-43.6121.8179.900000111.8E87 Y91E87-G89 PolarHBondContact O-N 3.2Å; E87-G89 VanDerWaalsContact O-N 3.13Å; G89-Y91 WeakPolarHBondContact O-CD2 3.15Å; G89-Y91 WeakPolarHBondContact O-CE2 3.24Å; G89-Y91 PolarHBondContact O-N 2.98Å
90D66.4Low74.5Confident99 Ų99102 Ų10253%0.52954%0.542SS..  trans-57.6110.7-177.6-66.5-40.4000108.2G88 W92G88-D90 PolarHBondContact O-N 2.84Å; G88-D90 VanDerWaalsContact O-N 3.12Å; D90-W92 PolarHBondContact O-N 3.46Å
91Y84.3Confident74.8Confident152 Ų152103.6 Ų103.660%0.59656%0.561SS**EExtended strand (participates in β ladder)trans-82.5107.4174.3-73.6-94.6000107.4A78 R79 G89A78-Y91 WeakPolarHBondContact CA-O 3.45Å; R79-Y91 VanDerWaalsContact CZ-CD2 3.43Å; R79-Y91 PolarHBondContact N-O 3.46Å; G89-Y91 WeakPolarHBondContact O-CD2 3.15Å; G89-Y91 WeakPolarHBondContact O-CE2 3.24Å; G89-Y91 PolarHBondContact O-N 2.98Å
92W91.6Very high75.5Confident106 Ų106106.5 Ų106.540%0.40258%0.575SS.*EExtended strand (participates in β ladder)trans-91.7138177.2-67.679.9000110.8V18 L26 F76 C77 A78 D90V18-W92 HydrophobicContact CB-CH2 4.04Å; V18-W92 HydrophobicContact CB-CZ3 3.75Å; V18-W92 HydrophobicContact CG1-CH2 4.02Å; V18-W92 HydrophobicContact CG1-CZ3 3.98Å; V18-W92 HydrophobicContact CG2-CH2 3.7Å; V18-W92 HydrophobicContact CG2-CZ3 3.8Å; L26-W92 HydrophobicContact CD1-CH2 4.11Å; F76-W92 HydrophobicContact CB-CE3 3.65Å; F76-W92 HydrophobicContact CB-CZ3 3.82Å; F76-W92 HydrophobicContact CD1-CE3 4.46Å; F76-W92 HydrophobicContact CG-CE3 4.12Å; F76-W92 HydrophobicContact CG-CZ3 4.3Å; C77-W92 WeakPolarHBondContact O-CA 3.32Å; A78-W92 HydrophobicContact CB-CD2 3.78Å; A78-W92 HydrophobicContact CB-CE3 3.98Å; A78-W92 HydrophobicContact CB-CG 4.25Å; A78-W92 HydrophobicContact CB-CH2 4.39Å; A78-W92 HydrophobicContact CB-CZ2 4.19Å; A78-W92 HydrophobicContact CB-CZ3 4.3Å; D90-W92 PolarHBondContact O-N 3.46Å
93G93.6Very high76.1Confident28 Ų28111.6 Ų111.629%0.28960%0.596SS.*  trans-64.9159159.900000110.5C77 G95C77-G93 PolarHBondContact O-N 3.33Å; G93-G95 PolarHBondContact O-N 3.08Å
94Q94.9Very high76.5Confident185 Ų185107.2 Ų107.286%0.86459%0.594SS**  trans-62.8-12.4179.2-64.7-61.3-5000114
95G95.3Very high76.7Confident32 Ų32109 Ų10933%0.3360%0.598SS.*  trans82.6161.3-17400000112.5Y75 G93Y75-G95 CarbonylContact O-C 3.51Å; Y75-G95 WeakPolarHBondContact O-CA 3.29Å; G93-G95 PolarHBondContact O-N 3.08Å
96T97.1Very high76.8Confident67 Ų67106.3 Ų106.341%0.41161%0.614SS.*EExtended strand (participates in β ladder)trans-135.6137.7171.7-171.60000109.8I1 V74 Y75I1-T96 HydrophobicContact CD1-CG2 4.31Å; I1-T96 HydrophobicContact CG1-CG2 4.23Å; I1-T96 HydrophobicContact CG2-CG2 3.73Å; V74-T96 CarbonylContact C-O 3.46Å; V74-T96 WeakPolarHBondContact CA-O 3.46Å; Y75-T96 PolarHBondContact N-O 3.48Å; Y75-T96 PolarHBondContact O-N 3.48Å
97T96.6Very high78.2Confident91 Ų91104.7 Ų104.756%0.55861%0.608SS**EExtended strand (participates in β ladder)trans-84.1127.3178-57.90000109.2
98L94.9Very high79.8Confident50 Ų50100 Ų10026%0.26259%0.592SS.*EExtended strand (participates in β ladder)trans-113.4122168.6178.166.2000108L64 L67 S72 A73 Y75 V100L64-L98 HydrophobicContact CD1-CD2 3.72Å; L67-L98 HydrophobicContact CD1-CD2 3.81Å; S72-L98 VanDerWaalsContact CA-O 3.3Å; S72-L98 WeakPolarHBondContact CA-O 3.26Å; A73-L98 PolarHBondContact N-O 3.15Å; A73-L98 PolarHBondContact O-N 2.64Å; Y75-L98 HydrophobicContact CD2-CB 3.77Å; Y75-L98 HydrophobicContact CD2-CD2 4.31Å; Y75-L98 HydrophobicContact CE2-CB 3.66Å; Y75-L98 HydrophobicContact CE2-CD2 3.68Å; Y75-L98 HydrophobicContact CE2-CG 4.25Å; L98-V100 HydrophobicContact CG-CG2 4.29Å
99T94.8Very high81.6Confident101 Ų101102.5 Ų102.562%0.6259%0.593SS**  trans-112.9128.6175-54.90000108.8
100V92.3Very high83.2Confident30 Ų30105.6 Ų105.618%0.18260%0.599CS.*  trans-116.9115.3177.5-174.40000106.9L67 T68 S69 S72 L98L67-V100 HydrophobicContact CB-CG1 4.19Å; L67-V100 HydrophobicContact CB-CG2 3.98Å; L67-V100 HydrophobicContact CD1-CG2 4.05Å; T68-V100 WeakPolarHBondContact O-CB 3.4Å; T68-V100 WeakPolarHBondContact O-CG1 2.87Å; S69-V100 VanDerWaalsContact CA-O 3.3Å; S69-V100 WeakPolarHBondContact CA-O 3.19Å; S72-V100 PolarHBondContact OG-N 2.69Å; S72-V100 PolarHBondContact OG-O 3.31Å; L98-V100 HydrophobicContact CG-CG2 4.29Å
101S89.6Confident84.3Confident97 Ų97106.1 Ų106.168%0.67860%0.603SS**  trans-112.8136.2177.153.40000109.9
102S83.1Confident84.3Confident104 Ų104103 Ų10373%0.72760%0.603SS**  trans-77.7120163.651.80000108.6S104S102-S104 PolarHBondContact O-N 2.88Å
103E72.4Confident83.7Confident175 Ų175102.8 Ų102.882%0.81862%0.618SS**  trans-75.2119.8161.3-85.6-179.4164.800108.5Q105E103-Q105 PolarHBondContact O-N 2.74Å
104S63.9Low83Confident106 Ų106108.5 Ų108.574%0.74164%0.643SS**  trans-75.1109.5156.151.90000106.9S102 S106S102-S104 PolarHBondContact O-N 2.88Å; S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.71Å
105Q52.1Low82Confident189 Ų189102.2 Ų102.288%0.88363%0.625SS**  trans-64.4102.2161.5-72.5-179.216.100106.8E103E103-Q105 PolarHBondContact O-N 2.74Å
106S51.7Low80.8Confident184 Ų184108.5 Ų108.5100%1.28765%0.652SS**  trans-78.80165.758.90000110.3S104S104-S106 VanDerWaalsContact C-N 3.33Å; S104-S106 PolarHBondContact O-N 2.71Å

Retrieved 106 of 106 residues in 52.1 ms (Link to these results)

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