X5J5A7_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5A7, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 104 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
1A79.4Confident92.5Very high117 Ų11791.6 Ų91.697%0.96749%0.488SS*.  0147.3000000108.3T100A1-T100 CarbonylContact C-O 3.51Å; A1-T100 WeakPolarHBondContact CA-O 3.31Å
2E88.2Confident92.9Very high69 Ų6984.3 Ų84.332%0.32245%0.449SS..EExtended strand (participates in β ladder)trans-130.3136.7-175.7-165.4156.8-167.400109.7V10 L12 T100 L101 T102E2-V10 HydrophobicContact CG-CG2 3.68Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 VanDerWaalsContact OE2-CG2 3.26Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.38Å; E2-L12 WeakPolarHBondContact OE2-CD2 3.39Å; E2-T100 PolarHBondContact N-O 3.43Å; E2-L101 HydrophobicContact CB-CD1 4.1Å; E2-L101 HydrophobicContact CG-CD1 4.32Å; E2-L101 CarbonylContact O-C 3.38Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; E2-T102 PolarHBondContact O-N 3.26Å
3L91.9Very high93.3Very high129 Ų12983.4 Ų83.468%0.67545%0.454SS*.EExtended strand (participates in β ladder)trans-114124.1180-178.465.9000108.3T102L3-T102 HydrophobicContact CD1-CG2 4.09Å
4A93.5Very high93.5Very high11 Ų1178.4 Ų78.49%0.09143%0.428CS..EExtended strand (participates in β ladder)trans-129.2149-177.500000111.3L78 L101 T102 V103 S104A4-L78 HydrophobicContact CB-CD1 3.46Å; A4-L78 VanDerWaalsContact CB-CD1 3.46Å; A4-L101 HydrophobicContact CB-CD1 4.06Å; A4-T102 PolarHBondContact N-O 2.96Å; A4-V103 WeakPolarHBondContact O-CA 3.47Å; A4-S104 PolarHBondContact O-N 3.41Å
5K92.6Very high93.7Very high162 Ų16283.7 Ų83.770%0.70445%0.445SS*.  trans-80.9151.4172.5-65.6-177.6-179.8-179.50110.2A8K5-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.15Å
6P93.8Very high93.8Very high68 Ų6879.2 Ų79.244%0.44242%0.423SS..THydrogen-bonded Turntrans-53.1146.9168.8-24.833.6000111.6A8 L78 V103 S104P6-A8 PolarHBondContact O-N 3.27Å; P6-A8 VanDerWaalsContact O-N 3.07Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; P6-V103 HydrophobicContact CG-CG1 4.24Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å
7R93.8Very high93.7Very high227 Ų22780.5 Ų80.586%0.85744%0.44SS*.THydrogen-bonded Turntrans65-6.2-174.8-54.2175.7176.2150.7-1.4115.6L78R7-L78 PolarHBondContact N-O 3.26Å
8A94.9Very high93.6Very high36 Ų3681 Ų8130%0.29847%0.467SS..  trans-70.7170.7172.400000111.2K5 P6 S77 L78K5-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.37Å; K5-A8 PolarHBondContact O-N 3.03Å; K5-A8 VanDerWaalsContact O-N 3.15Å; P6-A8 PolarHBondContact O-N 3.27Å; P6-A8 VanDerWaalsContact O-N 3.07Å; A8-S77 PolarHBondContact O-N 2.95Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 2.95Å; A8-L78 PolarHBondContact O-N 2.87Å
9S95.9Very high93.5Very high68 Ų6879.7 Ų79.748%0.47645%0.454SS..  trans-113.8150.2167.3-58.70000109.7L75S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 2.97Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å
10V96.6Very high93.6Very high7 Ų780.1 Ų80.14%0.04246%0.458CS..EExtended strand (participates in β ladder)trans-132.5144.6178.572.50000110.1E2 Q74 L75 L78 L101E2-V10 HydrophobicContact CG-CG2 3.68Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.49Å; E2-V10 VanDerWaalsContact OE2-CG2 3.26Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.38Å; V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 3.38Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; V10-L101 HydrophobicContact CB-CD1 4.45Å; V10-L101 HydrophobicContact CG1-CD1 4.06Å; V10-L101 HydrophobicContact CG1-CD2 3.8Å; V10-L101 HydrophobicContact CG2-CD1 4.15Å
11K97.2Very high93.7Very high114 Ų11476.6 Ų76.650%0.49644%0.437SS..EExtended strand (participates in β ladder)trans-119104.6179.9-173.9178.2178.5-178.30110.1Y72K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CB 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å
12L97.5Very high94.5Very high3 Ų373.4 Ų73.42%0.01641%0.406CS..EExtended strand (participates in β ladder)trans-82.9144.6174.9-58.2179.3000110.1E2 W28 Y72 M73 Y86 T99E2-L12 WeakPolarHBondContact OE2-CD2 3.39Å; L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4.03Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 3.26Å; L12-M73 PolarHBondContact O-N 2.91Å; L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 3.93Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; L12-T99 HydrophobicContact CD2-CG2 3.83Å
13S97.3Very high94.8Very high73 Ų7373.9 Ų73.951%0.5142%0.417SS..EExtended strand (participates in β ladder)trans-122.1148.8178.666.20000111.4A71S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å
14C96.9Very high94.9Very high14 Ų1471.5 Ų71.510%0.09540%0.4CS..EExtended strand (participates in β ladder)trans-138.1104.4174.7177.30000108.8W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; C14-T70 WeakPolarHBondContact O-CA 3.39Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 3.07Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å
15K96.4Very high95Very high158 Ų15876.3 Ų76.369%0.68742%0.416SS*.EExtended strand (participates in β ladder)trans-88.2124.3-179.8-173.6171.5-175.7176.80110.1T70K15-T70 HydrophobicContact CB-CG2 4.49Å
16A94.3Very high95.2Very high11 Ų1168.9 Ų68.99%0.09138%0.383CS..  trans-80.2146.4174.800000111.3Y19 F21 S69A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.15Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; A16-F21 HydrophobicContact CB-CB 4.05Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.98Å; A16-S69 WeakPolarHBondContact CB-O 3.29Å; A16-S69 PolarHBondContact N-O 2.8Å
17S92.8Very high95.4Very high101 Ų10166.1 Ų66.171%0.70637%0.365SS*.  trans-148.1145.8175.260.30000110.6Y19S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 3.07Å
18G92.3Very high95.7Very high90 Ų9055.6 Ų55.693%0.92833%0.325SS*.SBendtrans7715.2175.100000115.9
19Y91.6Very high95.8Very high57 Ų5753.9 Ų53.922%0.22431%0.311CS..SBendtrans-159.1165.3173.864.9-84.4000112.1A16 S17 F21 Y24 M26 R90A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.15Å; A16-Y19 VanDerWaalsContact CB-CZ 3.44Å; A16-Y19 WeakPolarHBondContact CB-OH 3.39Å; S17-Y19 WeakPolarHBondContact O-CD1 3.27Å; S17-Y19 PolarHBondContact O-N 3.07Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 3.22Å; Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.77Å; Y19-Y24 HydrophobicContact CD2-CE2 3.77Å; Y19-Y24 HydrophobicContact CD2-CG 4.39Å; Y19-Y24 AromaticContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CG 4.39Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.43Å; Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; Y19-R90 VanDerWaalsContact CE2-CD 3.48Å; Y19-R90 HydrophobicContact CE2-CG 4.29Å
20T95.1Very high95.9Very high87 Ų8750.8 Ų50.853%0.53429%0.289SS..  trans-69.8100172-52.40000110.2T22 S23 Y24T20-T22 PolarHBondContact O-N 3.01Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T20-S23 WeakPolarHBondContact CB-OG 3.17Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.4Å; T20-S23 WeakPolarHBondContact O-CB 3.25Å; T20-S23 PolarHBondContact O-N 3.27Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å
21F95.1Very high95.9Very high6 Ų653.7 Ų53.73%0.02630%0.302CS..G310 helixtrans-53.5-38.2-173.6174.9-123.7000113.9A16 Y19 S23 M26 P45 A64 A71A16-F21 HydrophobicContact CB-CB 4.05Å; A16-F21 HydrophobicContact CB-CD2 3.39Å; A16-F21 HydrophobicContact CB-CE2 4.1Å; A16-F21 HydrophobicContact CB-CG 3.98Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 3.22Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 2.98Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.84Å; F21-P45 HydrophobicContact CE2-CB 4.32Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.21Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.94Å
22T96.1Very high95.8Very high51 Ų5150.9 Ų50.931%0.31329%0.288SS..G310 helixtrans-72.7-13.1-178.551.30000114.5T20 Y24 S46 T66T20-T22 PolarHBondContact O-N 3.01Å; T20-T22 VanDerWaalsContact O-N 3.16Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 2.98Å; T22-S46 WeakPolarHBondContact O-CB 3.49Å; T22-T66 HydrophobicContact CG2-CG2 3.68Å
23S94.9Very high95.4Very high79 Ų7956.4 Ų56.455%0.55232%0.324SS*.G310 helixtrans-82.5-5.4-179.3-56.90000114T20 F21T20-S23 WeakPolarHBondContact CB-OG 3.17Å; T20-S23 VanDerWaalsContact CG2-OG 3.3Å; T20-S23 WeakPolarHBondContact CG2-OG 3.4Å; T20-S23 WeakPolarHBondContact O-CB 3.25Å; T20-S23 PolarHBondContact O-N 3.27Å; F21-S23 VanDerWaalsContact C-N 3.26Å; F21-S23 PolarHBondContact O-N 2.98Å
24Y94.3Very high95Very high79 Ų7957.4 Ų57.431%0.3135%0.346SS..SBendtrans-133.4150.3-171.5-62.5-87.1000112.2Y19 T20 T22 P45 R90 N91Y19-Y24 AromaticContact CD2-CD2 3.45Å; Y19-Y24 HydrophobicContact CD2-CD2 3.45Å; Y19-Y24 VanDerWaalsContact CD2-CD2 3.45Å; Y19-Y24 AromaticContact CD2-CE2 3.77Å; Y19-Y24 HydrophobicContact CD2-CE2 3.77Å; Y19-Y24 HydrophobicContact CD2-CG 4.39Å; Y19-Y24 AromaticContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CD2 3.81Å; Y19-Y24 HydrophobicContact CE2-CG 4.39Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.43Å; T20-Y24 WeakPolarHBondContact O-CD2 3.39Å; T22-Y24 VanDerWaalsContact C-N 3.31Å; T22-Y24 PolarHBondContact O-N 2.98Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å; Y24-R90 HydrophobicContact CD1-CG 3.88Å; Y24-R90 HydrophobicContact CD2-CG 4.5Å; Y24-R90 HydrophobicContact CG-CG 3.75Å; Y24-N91 WeakPolarHBondContact CD1-ND2 3.25Å
25W96.1Very high94.8Very high112 Ų11261.6 Ų61.642%0.42436%0.364SS..  trans-80.8137.6170.8-59.1-5.2000109.8Y42W25-Y42 HydrophobicContact CB-CD2 4.23Å; W25-Y42 HydrophobicContact CD2-CD2 4.11Å; W25-Y42 AromaticContact CD2-CE2 3.91Å; W25-Y42 HydrophobicContact CD2-CE2 3.91Å; W25-Y42 HydrophobicContact CE3-CD1 4.25Å; W25-Y42 AromaticContact CE3-CD2 3.98Å; W25-Y42 HydrophobicContact CE3-CD2 3.98Å; W25-Y42 HydrophobicContact CE3-CE1 4.01Å; W25-Y42 AromaticContact CE3-CE2 3.69Å; W25-Y42 HydrophobicContact CE3-CE2 3.69Å; W25-Y42 HydrophobicContact CE3-CG 4.28Å; W25-Y42 AromaticContact CE3-CZ 3.73Å; W25-Y42 HydrophobicContact CG-CD2 4.23Å; W25-Y42 HydrophobicContact CG-CE2 4.43Å; W25-Y42 HydrophobicContact CZ3-CE1 4.03Å; W25-Y42 HydrophobicContact CZ3-CE2 4.04Å; W25-Y42 AromaticContact CZ3-CZ 3.67Å
26M97.3Very high94.6Very high5 Ų556.6 Ų56.63%0.02536%0.358CS..EExtended strand (participates in β ladder)trans-100.6112174-172.36068.800109.5Y19 F21 Y42 I43 A71 C88Y19-M26 WeakPolarHBondContact OH-CE 3.33Å; F21-M26 HydrophobicContact CE2-CE 4.02Å; M26-Y42 CarbonylContact O-C 3.47Å; M26-Y42 WeakPolarHBondContact O-CA 3.39Å; M26-Y42 WeakPolarHBondContact O-CB 3.41Å; M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 2.91Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.64Å; M26-C88 HydrophobicContact CG-CB 4.35Å; M26-C88 HydrophobicContact SD-CB 3.71Å
27H98.1Very high94.6Very high11 Ų1160.7 Ų60.75%0.05138%0.377CS..EExtended strand (participates in β ladder)trans-88.5147176.7-66.3-101000110.5W39 G41 Y42 C88 A89 W92H27-W39 AromaticContact ND1-NE1 3.38Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; H27-G41 WeakPolarHBondContact CA-O 3.11Å; H27-Y42 AromaticContact CE1-CD1 3.63Å; H27-Y42 AromaticContact CE1-CG 3.96Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.43Å; H27-A89 HydrophobicContact CB-CB 4.35Å; H27-A89 WeakPolarHBondContact CB-O 3.42Å; H27-A89 PolarHBondContact N-O 2.95Å; H27-A89 PolarHBondContact O-N 3.29Å; H27-W92 HydrophobicContact CB-CH2 4.46Å; H27-W92 HydrophobicContact CB-CZ2 4.31Å; H27-W92 AromaticContact CE1-CE2 3.7Å; H27-W92 AromaticContact CE1-CZ2 3.92Å; H27-W92 AromaticContact CE1-NE1 3.29Å; H27-W92 PolarHBondContact CE1-NE1 2.82Å; H27-W92 VanDerWaalsContact CE1-NE1 3.29Å; H27-W92 AromaticContact CG-CE2 3.81Å; H27-W92 AromaticContact CG-CZ2 3.91Å; H27-W92 AromaticContact ND1-CE2 3.37Å; H27-W92 AromaticContact ND1-CZ2 3.25Å; H27-W92 VanDerWaalsContact ND1-CZ2 3.25Å; H27-W92 WeakPolarHBondContact ND1-CZ2 3.5Å; H27-W92 AromaticContact ND1-NE1 3.48Å; H27-W92 PolarHBondContact ND1-NE1 3.22Å; H27-W92 AromaticContact NE2-NE1 3.71Å
28W98.3Very high94.8Very high5 Ų557.4 Ų57.42%0.01935%0.351CS..EExtended strand (participates in β ladder)trans-119.2136.8171.9-71.390.6000110.2L12 C14 I40 G41 L62 A71 M73 Y87 C88L12-W28 HydrophobicContact CB-CH2 4.14Å; L12-W28 HydrophobicContact CB-CZ3 4.03Å; C14-W28 HydrophobicContact CB-CH2 3.8Å; C14-W28 HydrophobicContact CB-CZ2 3.93Å; W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.32Å; W28-I40 PolarHBondContact O-N 2.92Å; W28-G41 PolarHBondContact N-O 3.42Å; W28-L62 HydrophobicContact CB-CD2 4.46Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.1Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; W28-Y87 WeakPolarHBondContact CA-O 3.47Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å
29V98.1Very high95.1Very high1 Ų156.1 Ų56.11%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-139.5136.3-172.1-173.30000109.3L37 E38 Y86 Y87 W92 W95V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.16Å; V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.8Å; V29-W92 HydrophobicContact CG2-CH2 3.95Å; V29-W92 HydrophobicContact CG2-CZ3 3.57Å; V29-W95 HydrophobicContact CB-CH2 4.25Å; V29-W95 HydrophobicContact CB-CZ3 3.9Å; V29-W95 HydrophobicContact CG1-CH2 4.17Å; V29-W95 HydrophobicContact CG1-CZ3 4.08Å; V29-W95 HydrophobicContact CG2-CH2 3.8Å; V29-W95 HydrophobicContact CG2-CZ3 3.81Å
30K97.5Very high95.4Very high2 Ų253.4 Ų53.41%0.00931%0.308CS..EExtended strand (participates in β ladder)trans-103.1137.6174.2-178.4178.4-177.9174.40109.5E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.06Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; K30-E81 WeakPolarHBondContact CE-O 2.97Å; K30-E81 PolarHBondContact NZ-O 3.15Å; K30-D82 IonicContact NZ-OD1 3.27Å; K30-D82 PolarHBondContact NZ-OD1 3.45Å; K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.58Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å
31Q97.1Very high95.5Very high68 Ų6849.3 Ų49.332%0.31828%0.282SS..EExtended strand (participates in β ladder)trans-127.2116.3171.1-168.1-17928.900109.9L37 A84 V85 Y87Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.18Å; Q31-V85 PolarHBondContact N-O 3.17Å; Q31-V85 PolarHBondContact O-N 2.85Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å
32R94Very high95.6Very high55 Ų5550.1 Ų50.121%0.20829%0.285CS..  trans-89.5148.1171.1-69.2-177.7-178.1136.5-9110.4G34 Q35 E38 E81 A84R32-G34 PolarHBondContact O-N 2.83Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.09Å; R32-Q35 PolarHBondContact O-N 2.81Å; R32-E38 IonicContact CZ-OE2 3.99Å; R32-E38 IonicContact NH1-OE2 3.38Å; R32-E38 PolarHBondContact NH1-OE2 3.29Å; R32-E81 PolarHBondContact NE-O 3.36Å; R32-E81 PolarHBondContact NH2-O 3.48Å; R32-E81 IonicContact NH2-OE2 3.88Å; R32-A84 HydrophobicContact CG-CB 4.11Å
33P89.1Confident95.7Very high120 Ų12047.9 Ų47.978%0.77927%0.271SS*.THydrogen-bonded Turntrans-53.6127.7173.2-24.834.3000111.2Q35P33-Q35 PolarHBondContact O-N 2.89Å
34G90.1Very high95.9Very high93 Ų9345.4 Ų45.496%0.95925%0.252SS*.THydrogen-bonded Turntrans725.7-179.600000115.7R32R32-G34 PolarHBondContact O-N 2.83Å
35Q91.4Very high96Very high102 Ų10242 Ų4248%0.47724%0.24SC..SBendtrans-117.4162.4175.5-56.9-170.9-2.100111.5R32 P33R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.09Å; R32-Q35 PolarHBondContact O-N 2.81Å; P33-Q35 PolarHBondContact O-N 2.89Å
36G92.3Very high96Very high54 Ų5440.3 Ų40.356%0.55725%0.245SC*.  trans-68.8174.7174.600000113.3
37L95.4Very high96Very high96 Ų9643.8 Ų43.850%0.50327%0.269SS..EExtended strand (participates in β ladder)trans-72.1127.6173.7-64.5174000110.4V29 Q31 W95V29-L37 HydrophobicContact CG1-CB 3.81Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.82Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W95 HydrophobicContact CD1-CH2 3.87Å; L37-W95 HydrophobicContact CD1-CZ3 4.41Å
38E96.9Very high95.9Very high32 Ų3245.4 Ų45.415%0.1529%0.289CS..EExtended strand (participates in β ladder)trans-106.7111.9174.3-65.2-169.294.200109.8V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.55Å; V29-E38 WeakPolarHBondContact CA-O 3.48Å; K30-E38 HydrophobicContact CB-CB 4.33Å; K30-E38 PolarHBondContact N-O 2.94Å; K30-E38 PolarHBondContact O-N 3.06Å; R32-E38 IonicContact CZ-OE2 3.99Å; R32-E38 IonicContact NH1-OE2 3.38Å; R32-E38 PolarHBondContact NH1-OE2 3.29Å; E38-I40 PolarHBondContact O-N 2.9Å; E38-K55 IonicContact OE1-NZ 3.48Å; E38-K55 PolarHBondContact OE1-NZ 3.18Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.24Å
39W97.5Very high95.9Very high64 Ų6451.5 Ų51.524%0.24231%0.313CS..EExtended strand (participates in β ladder)trans-69.9127.1174.7178.959.5000110.9H27 G41 Y42 K51 N53 W92H27-W39 AromaticContact ND1-NE1 3.38Å; H27-W39 PolarHBondContact ND1-NE1 3.23Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact NE1-C 3.28Å; W39-G41 PolarHBondContact NE1-O 2.93Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CE1 4.17Å; W39-Y42 HydrophobicContact CZ2-CG 4.43Å; W39-K51 HydrophobicContact CH2-CD 4.34Å; W39-K51 HydrophobicContact CH2-CG 4.18Å; W39-N53 HydrophobicContact CE3-CB 3.93Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.24Å; W39-N53 PolarHBondContact O-ND2 2.67Å; W39-W92 HydrophobicContact CB-CH2 4.01Å; W39-W92 AromaticContact CD1-CH2 3.2Å; W39-W92 AromaticContact CD1-CZ2 3.49Å; W39-W92 VanDerWaalsContact CD1-CZ2 3.49Å; W39-W92 AromaticContact CG-CH2 3.71Å; W39-W92 HydrophobicContact CG-CH2 3.71Å; W39-W92 HydrophobicContact CG-CZ2 4.01Å; W39-W92 AromaticContact NE1-CH2 3.96Å; W39-W92 AromaticContact NE1-CZ2 3.78Å
40I98.1Very high95.9Very high0 Ų053.6 Ų53.60%033%0.326CS..EExtended strand (participates in β ladder)trans-91.1-48.9-178.6-60175.6000110.4W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.15Å; W28-I40 HydrophobicContact CB-CD1 4.32Å; W28-I40 WeakPolarHBondContact O-CB 3.32Å; W28-I40 PolarHBondContact O-N 2.92Å; K30-I40 HydrophobicContact CB-CD1 4.04Å; K30-I40 HydrophobicContact CB-CG1 4.21Å; E38-I40 PolarHBondContact O-N 2.9Å; I40-N53 PolarHBondContact O-N 2.81Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.25Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.3Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-CE 3.85Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.87Å
41G98Very high95.9Very high0 Ų058.5 Ų58.50%035%0.347CS..EExtended strand (participates in β ladder)trans170.7-179.8-171.400000112.5H27 W28 W39 K51H27-G41 WeakPolarHBondContact CA-O 3.11Å; W28-G41 PolarHBondContact N-O 3.42Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 VanDerWaalsContact CZ2-C 3.44Å; W39-G41 VanDerWaalsContact NE1-C 3.28Å; W39-G41 PolarHBondContact NE1-O 2.93Å; G41-K51 CarbonylContact C-O 3.57Å; G41-K51 WeakPolarHBondContact CA-O 3.13Å
42Y97.9Very high95.9Very high23 Ų2357.7 Ų57.79%0.0934%0.342CS..EExtended strand (participates in β ladder)trans-140.2160166.568.8-106.2000111.4W25 M26 H27 W39 Y49 T50 K51W25-Y42 HydrophobicContact CB-CD2 4.23Å; W25-Y42 HydrophobicContact CD2-CD2 4.11Å; W25-Y42 AromaticContact CD2-CE2 3.91Å; W25-Y42 HydrophobicContact CD2-CE2 3.91Å; W25-Y42 HydrophobicContact CE3-CD1 4.25Å; W25-Y42 AromaticContact CE3-CD2 3.98Å; W25-Y42 HydrophobicContact CE3-CD2 3.98Å; W25-Y42 HydrophobicContact CE3-CE1 4.01Å; W25-Y42 AromaticContact CE3-CE2 3.69Å; W25-Y42 HydrophobicContact CE3-CE2 3.69Å; W25-Y42 HydrophobicContact CE3-CG 4.28Å; W25-Y42 AromaticContact CE3-CZ 3.73Å; W25-Y42 HydrophobicContact CG-CD2 4.23Å; W25-Y42 HydrophobicContact CG-CE2 4.43Å; W25-Y42 HydrophobicContact CZ3-CE1 4.03Å; W25-Y42 HydrophobicContact CZ3-CE2 4.04Å; W25-Y42 AromaticContact CZ3-CZ 3.67Å; M26-Y42 CarbonylContact O-C 3.47Å; M26-Y42 WeakPolarHBondContact O-CA 3.39Å; M26-Y42 WeakPolarHBondContact O-CB 3.41Å; H27-Y42 AromaticContact CE1-CD1 3.63Å; H27-Y42 AromaticContact CE1-CG 3.96Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CD1 3.54Å; W39-Y42 HydrophobicContact CZ2-CE1 4.17Å; W39-Y42 HydrophobicContact CZ2-CG 4.43Å; Y42-Y49 HydrophobicContact CE2-CD1 4.01Å; Y42-Y49 HydrophobicContact CE2-CE1 4.01Å; Y42-T50 VanDerWaalsContact O-CA 3.32Å; Y42-T50 WeakPolarHBondContact O-CA 3.47Å; Y42-K51 HydrophobicContact CD1-CB 4.21Å; Y42-K51 HydrophobicContact CE1-CB 3.67Å; Y42-K51 HydrophobicContact CE1-CD 3.8Å; Y42-K51 HydrophobicContact CE1-CG 4.29Å; Y42-K51 HydrophobicContact CE2-CB 4.14Å; Y42-K51 PolarHBondContact N-O 3.1Å; Y42-K51 PolarHBondContact O-N 2.7Å
43I98.1Very high96.1Very high4 Ų457.3 Ų57.32%0.02134%0.344CS..EExtended strand (participates in β ladder)trans-123.9137.9168.9-174.6165.4000109.8M26 P45 Y49 T50 L62 T63 A64M26-I43 HydrophobicContact CB-CG2 4.03Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 2.91Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.34Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; I43-L62 HydrophobicContact CB-CB 4.16Å; I43-T63 VanDerWaalsContact CD1-C 3.5Å; I43-A64 HydrophobicContact CD1-CB 3.88Å
44N97.4Very high96.4Very high28 Ų2858.1 Ų58.115%0.1534%0.337CS..  trans-87.2110.1163-179.3-9.9000108.5S46 S47 G48 Y49N44-S46 VanDerWaalsContact CG-OG 3.27Å; N44-S46 PolarHBondContact ND2-OG 2.92Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 PolarHBondContact OD1-N 2.85Å; N44-S46 PolarHBondContact OD1-OG 2.88Å; N44-S47 PolarHBondContact ND2-OG 2.69Å; N44-S47 PolarHBondContact O-N 2.98Å; N44-G48 WeakPolarHBondContact O-CA 3.11Å; N44-G48 PolarHBondContact O-N 3.22Å; N44-Y49 PolarHBondContact N-O 3.24Å
45P96.8Very high96.6Very high7 Ų760.8 Ų60.85%0.04532%0.323CS..THydrogen-bonded Turntrans-65.6-21.1-177.2-19.232.9000114.1F21 Y24 I43 A64 T66F21-P45 HydrophobicContact CD1-CB 3.82Å; F21-P45 HydrophobicContact CD1-CG 4.26Å; F21-P45 HydrophobicContact CD2-CG 4.21Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.84Å; F21-P45 HydrophobicContact CE2-CB 4.32Å; F21-P45 HydrophobicContact CE2-CG 3.77Å; F21-P45 HydrophobicContact CG-CB 4.43Å; F21-P45 HydrophobicContact CG-CG 4.46Å; F21-P45 HydrophobicContact CZ-CB 3.73Å; F21-P45 HydrophobicContact CZ-CG 3.57Å; Y24-P45 WeakPolarHBondContact O-CD 2.97Å; I43-P45 WeakPolarHBondContact O-CD 2.98Å; P45-A64 HydrophobicContact CB-CB 3.96Å; P45-T66 VanDerWaalsContact O-CG2 3.25Å; P45-T66 WeakPolarHBondContact O-CG2 3.19Å
46S96.6Very high96.8Very high77 Ų7756.5 Ų56.554%0.53830%0.302SS..THydrogen-bonded Turntrans-73.8-38.1177.663.70000113.2T22 N44T22-S46 WeakPolarHBondContact O-CB 3.49Å; N44-S46 VanDerWaalsContact CG-OG 3.27Å; N44-S46 PolarHBondContact ND2-OG 2.92Å; N44-S46 PolarHBondContact O-N 2.85Å; N44-S46 PolarHBondContact OD1-N 2.85Å; N44-S46 PolarHBondContact OD1-OG 2.88Å
47S96.8Very high96.9Very high77 Ų7759.5 Ų59.554%0.53830%0.3SS..THydrogen-bonded Turntrans-111.7-11.9-174.165.60000114N44 Y49N44-S47 PolarHBondContact ND2-OG 2.69Å; N44-S47 PolarHBondContact O-N 2.98Å; S47-Y49 PolarHBondContact O-N 2.93Å; S47-Y49 VanDerWaalsContact OG-CB 3.31Å; S47-Y49 WeakPolarHBondContact OG-CB 3.39Å; S47-Y49 PolarHBondContact OG-N 3.24Å
48G96.4Very high96.9Very high45 Ų4561.7 Ų61.746%0.46431%0.312SS..  trans70.14-170.100000113.8N44 T50N44-G48 WeakPolarHBondContact O-CA 3.11Å; N44-G48 PolarHBondContact O-N 3.22Å; G48-T50 PolarHBondContact O-N 3.09Å
49Y97.7Very high96.9Very high133 Ų13362 Ų6252%0.52231%0.313SS..  trans-61.8129.8178.1177.1-94.3000110.5Y42 I43 N44 S47 K51Y42-Y49 HydrophobicContact CE2-CD1 4.01Å; Y42-Y49 HydrophobicContact CE2-CE1 4.01Å; I43-Y49 CarbonylContact C-O 3.53Å; I43-Y49 WeakPolarHBondContact CA-O 3.34Å; N44-Y49 PolarHBondContact N-O 3.24Å; S47-Y49 PolarHBondContact O-N 2.93Å; S47-Y49 VanDerWaalsContact OG-CB 3.31Å; S47-Y49 WeakPolarHBondContact OG-CB 3.39Å; S47-Y49 PolarHBondContact OG-N 3.24Å; Y49-K51 HydrophobicContact CE1-CB 4.26Å
50T98.2Very high96.9Very high46 Ų4659 Ų5928%0.28230%0.302SS..EExtended strand (participates in β ladder)trans-121.3144.318052.20000111.3Y42 I43 G48 Y52 L62Y42-T50 VanDerWaalsContact O-CA 3.32Å; Y42-T50 WeakPolarHBondContact O-CA 3.47Å; I43-T50 HydrophobicContact CB-CG2 3.93Å; I43-T50 HydrophobicContact CD1-CG2 3.9Å; I43-T50 HydrophobicContact CG1-CG2 3.78Å; G48-T50 PolarHBondContact O-N 3.09Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; T50-L62 HydrophobicContact CG2-CB 3.91Å
51K97.9Very high96.9Very high104 Ų10462.5 Ų62.545%0.45232%0.324SS..EExtended strand (participates in β ladder)trans-131.1137.4169.1-170.5179.5-179.31780108.8W39 G41 Y42 Y49W39-K51 HydrophobicContact CH2-CD 4.34Å; W39-K51 HydrophobicContact CH2-CG 4.18Å; G41-K51 CarbonylContact C-O 3.57Å; G41-K51 WeakPolarHBondContact CA-O 3.13Å; Y42-K51 HydrophobicContact CD1-CB 4.21Å; Y42-K51 HydrophobicContact CE1-CB 3.67Å; Y42-K51 HydrophobicContact CE1-CD 3.8Å; Y42-K51 HydrophobicContact CE1-CG 4.29Å; Y42-K51 HydrophobicContact CE2-CB 4.14Å; Y42-K51 PolarHBondContact N-O 3.1Å; Y42-K51 PolarHBondContact O-N 2.7Å; Y49-K51 HydrophobicContact CE1-CB 4.26Å
52Y98.3Very high96.9Very high52 Ų5262.9 Ų62.920%0.20433%0.326CS..EExtended strand (participates in β ladder)trans-118.5150.8-177.6-61.8-90.9000110.8T50 A60 L62T50-Y52 WeakPolarHBondContact OG1-CE2 3.43Å; Y52-A60 HydrophobicContact CE1-CB 4.4Å; Y52-A60 WeakPolarHBondContact CE1-O 2.98Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.76Å
53N97.3Very high96.9Very high46 Ų4664.7 Ų64.725%0.24634%0.339CS..  trans-71.1137.5155.5179.3-22000108.5W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.93Å; W39-N53 HydrophobicContact CZ3-CB 4.09Å; W39-N53 WeakPolarHBondContact O-CB 3.24Å; W39-N53 PolarHBondContact O-ND2 2.67Å; I40-N53 PolarHBondContact O-N 2.81Å; N53-K55 PolarHBondContact O-N 2.98Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.01Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.15Å; N53-K57 PolarHBondContact O-N 3.2Å
54Q96.1Very high96.9Very high137 Ų13766.1 Ų66.164%0.6435%0.352SS*.G310 helixtrans-53.8-34-176.1-169.360.428.900112.9F56Q54-F56 PolarHBondContact O-N 2.83Å
55K94Very high96.9Very high150 Ų15067.3 Ų67.365%0.65236%0.358SS*.G310 helixtrans-61-27.3177.2-69.4-176.3177.4-178.10114.2E38 N53E38-K55 IonicContact OE1-NZ 3.48Å; E38-K55 PolarHBondContact OE1-NZ 3.18Å; N53-K55 PolarHBondContact O-N 2.98Å; N53-K55 VanDerWaalsContact O-N 3.09Å; N53-K55 PolarHBondContact OD1-N 3.01Å
56F96Very high96.9Very high12 Ų1270.7 Ų70.75%0.05338%0.379CS..G310 helixtrans-114-2.4-171.5-61.5-82.3000113.4K30 E38 I40 N53 Q54 D58 K59 A60K30-F56 HydrophobicContact CD-CE1 3.99Å; K30-F56 HydrophobicContact CD-CZ 4.12Å; E38-F56 HydrophobicContact CB-CE2 4.33Å; E38-F56 HydrophobicContact CB-CZ 4.24Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.28Å; I40-F56 HydrophobicContact CG1-CD1 4.24Å; I40-F56 HydrophobicContact CG1-CD2 4.23Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.23Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.25Å; I40-F56 HydrophobicContact CG2-CB 3.74Å; I40-F56 HydrophobicContact CG2-CD1 4.3Å; I40-F56 HydrophobicContact CG2-CD2 4.39Å; I40-F56 HydrophobicContact CG2-CG 3.91Å; N53-F56 HydrophobicContact CB-CD2 4.1Å; N53-F56 PolarHBondContact O-N 3.15Å; Q54-F56 PolarHBondContact O-N 2.83Å; F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.28Å; F56-K59 PolarHBondContact O-N 2.97Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.07Å
57K94.5Very high96.8Very high116 Ų11672 Ų7250%0.50439%0.388SS..THydrogen-bonded Turntrans-56.5-38.6-173.2-170.8-179.5-179.5-175.20113.3N53N53-K57 PolarHBondContact O-N 3.2Å
58D94.8Very high96.8Very high143 Ų14370.2 Ų70.277%0.76538%0.375SS*.THydrogen-bonded Turntrans-94.6-2.2-179.4-53.6-41.4000112.8F56F56-D58 VanDerWaalsContact C-N 3.26Å; F56-D58 PolarHBondContact O-N 3.28Å
59K95.8Very high96.9Very high38 Ų3869.9 Ų69.917%0.16537%0.366CS..THydrogen-bonded Turntrans-107.3-37.2-173-170.572.2176.1-163.40112.7F56 L75 S76 S77 D82F56-K59 PolarHBondContact O-N 2.97Å; K59-L75 HydrophobicContact CG-CD2 4.3Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; K59-S76 VanDerWaalsContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.14Å; K59-S76 PolarHBondContact NZ-O 2.89Å; K59-S76 VanDerWaalsContact NZ-O 3.1Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.83Å; K59-S77 PolarHBondContact NZ-O 2.94Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD1 3.94Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å
60A97.7Very high96.9Very high2 Ų264 Ų642%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-113.6135.8-173.100000111I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.4Å; Y52-A60 WeakPolarHBondContact CE1-O 2.98Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 3.07Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.32Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.2Å; A60-L75 HydrophobicContact CB-CD2 3.96Å
61T98.3Very high96.9Very high73 Ų7361.8 Ų61.845%0.44833%0.33SS..EExtended strand (participates in β ladder)trans-117.2119.4169.2-57.10000108.9T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.37Å; T61-M73 WeakPolarHBondContact O-CA 3.01Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.94Å
62L98.4Very high96.9Very high8 Ų859.2 Ų59.24%0.04232%0.318CS..EExtended strand (participates in β ladder)trans-96.7131.9177.9-53.2-176.1000110.5W28 I43 T50 Y52 Y72 M73W28-L62 HydrophobicContact CB-CD2 4.46Å; W28-L62 VanDerWaalsContact CD1-CD2 3.48Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.16Å; T50-L62 HydrophobicContact CG2-CB 3.91Å; Y52-L62 HydrophobicContact CE1-CB 4.48Å; Y52-L62 HydrophobicContact CE1-CD1 4.07Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.76Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 4.1Å
63T98.2Very high96.9Very high60 Ų6056.7 Ų56.737%0.36831%0.308SS..EExtended strand (participates in β ladder)trans-137.8162175.554.70000110.2I43 T61 Y72I43-T63 VanDerWaalsContact CD1-C 3.5Å; T61-T63 HydrophobicContact CG2-CG2 4.37Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 2.02Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.21Å
64A97.8Very high96.9Very high35 Ų3558.6 Ų58.629%0.28932%0.315SS..EExtended strand (participates in β ladder)trans-140.4141.1176.300000109.9F21 I43 P45 T70F21-A64 HydrophobicContact CE1-CB 4.18Å; F21-A64 HydrophobicContact CZ-CB 4.21Å; I43-A64 HydrophobicContact CD1-CB 3.88Å; P45-A64 HydrophobicContact CB-CB 3.96Å; A64-T70 WeakPolarHBondContact CA-O 3.15Å
65D97.4Very high97Very high53 Ų5352.1 Ų52.128%0.28329%0.285SS..EExtended strand (participates in β ladder)trans-113109.4170.5174.66.7000108.1S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.32Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.81Å; D65-S68 WeakPolarHBondContact CB-OG 3.4Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.12Å; D65-S68 PolarHBondContact OD2-OG 3.15Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.87Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.85Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å
66T96.3Very high97.1Very high78 Ų7846.5 Ų46.548%0.47927%0.265SS..THydrogen-bonded Turntrans-73.2-26.4-177.854.90000112.2T22 P45 S69T22-T66 HydrophobicContact CG2-CG2 3.68Å; P45-T66 VanDerWaalsContact O-CG2 3.25Å; P45-T66 WeakPolarHBondContact O-CG2 3.19Å; T66-S69 PolarHBondContact O-N 3.03Å
67S95.5Very high97Very high105 Ų10549.7 Ų49.773%0.73429%0.288SS*.THydrogen-bonded Turntrans-69.1-40.6179.573.90000111.7D65D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 WeakPolarHBondContact OD1-CB 3.32Å; D65-S67 PolarHBondContact OD1-N 2.85Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.81Å
68S96.9Very high97.1Very high38 Ų3844.2 Ų44.227%0.26627%0.265SS..THydrogen-bonded Turntrans-94.71176.866.50000113.5D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.4Å; D65-S68 PolarHBondContact OD1-N 2.87Å; D65-S68 WeakPolarHBondContact OD2-CB 3.12Å; D65-S68 PolarHBondContact OD2-OG 3.15Å; S68-T70 PolarHBondContact O-N 3.3Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 PolarHBondContact OG-OG1 3.32Å
69S97.1Very high97.2Very high39 Ų3940.3 Ų40.327%0.27325%0.246SC..THydrogen-bonded Turntrans50.143.4-174.4-650000112.8A16 D65 T66A16-S69 WeakPolarHBondContact CB-O 3.29Å; A16-S69 PolarHBondContact N-O 2.8Å; D65-S69 WeakPolarHBondContact O-CA 3.33Å; D65-S69 PolarHBondContact O-N 2.87Å; T66-S69 PolarHBondContact O-N 3.03Å
70T98Very high97Very high8 Ų842.7 Ų42.75%0.04927%0.267CS..EExtended strand (participates in β ladder)trans-123.9126.2-173.7-56.60000111.1C14 K15 A64 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.39Å; K15-T70 HydrophobicContact CB-CG2 4.49Å; A64-T70 WeakPolarHBondContact CA-O 3.15Å; D65-T70 PolarHBondContact N-O 3Å; D65-T70 PolarHBondContact O-N 2.85Å; S68-T70 PolarHBondContact O-N 3.3Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 PolarHBondContact OG-OG1 3.32Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
71A97.8Very high96.8Very high0 Ų048.8 Ų48.80%030%0.296CS..EExtended strand (participates in β ladder)trans-90.2148.5167.700000109.9S13 C14 F21 M26 W28S13-A71 CarbonylContact C-O 3.53Å; S13-A71 WeakPolarHBondContact CA-O 3.42Å; C14-A71 PolarHBondContact N-O 2.79Å; C14-A71 PolarHBondContact O-N 3.07Å; F21-A71 HydrophobicContact CE2-CB 4.28Å; F21-A71 HydrophobicContact CZ-CB 3.94Å; M26-A71 HydrophobicContact CB-CB 4.11Å; M26-A71 HydrophobicContact CG-CB 3.64Å; W28-A71 HydrophobicContact CZ2-CB 4.26Å
72Y98.3Very high96.7Very high50 Ų5045.8 Ų45.820%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-131146.9177.1-55.1-86.4000111.1K11 L12 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.33Å; K11-Y72 VanDerWaalsContact CE-CB 3.47Å; K11-Y72 HydrophobicContact CG-CD1 4.31Å; L12-Y72 CarbonylContact O-C 3.6Å; L12-Y72 WeakPolarHBondContact O-CA 3.48Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 2.79Å; T63-Y72 PolarHBondContact O-N 2.02Å; T63-Y72 WeakPolarHBondContact OG1-CB 3.21Å; D65-Y72 HydrophobicContact CB-CE2 3.93Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.4Å; T70-Y72 HydrophobicContact CG2-CE1 3.57Å; T70-Y72 HydrophobicContact CG2-CE2 3.81Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.41Å
73M98.3Very high96.6Very high0 Ų047.1 Ų47.10%029%0.287CS..EExtended strand (participates in β ladder)trans-124.8120.9167.2177.3176.571.700108.7L12 W28 I40 A60 T61 L62 L75 Y86L12-M73 HydrophobicContact CD1-CE 3.66Å; L12-M73 PolarHBondContact N-O 3.26Å; L12-M73 PolarHBondContact O-N 2.91Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.67Å; W28-M73 HydrophobicContact CD2-CE 4.42Å; W28-M73 HydrophobicContact CD2-CG 4.48Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.89Å; W28-M73 HydrophobicContact CE3-CE 3.84Å; W28-M73 HydrophobicContact CE3-SD 4.13Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.1Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.1Å; W28-M73 HydrophobicContact CZ3-CE 4.33Å; I40-M73 HydrophobicContact CD1-CE 3.85Å; I40-M73 HydrophobicContact CD1-SD 3.53Å; I40-M73 VanDerWaalsContact CD1-SD 3.53Å; I40-M73 HydrophobicContact CG2-SD 3.93Å; A60-M73 HydrophobicContact CB-CG 4.31Å; A60-M73 HydrophobicContact CB-SD 4.32Å; T61-M73 WeakPolarHBondContact O-CA 3.01Å; L62-M73 HydrophobicContact CD2-CB 3.7Å; L62-M73 HydrophobicContact CD2-CG 3.6Å; L62-M73 HydrophobicContact CD2-SD 4.1Å; M73-L75 HydrophobicContact CE-CD1 3.97Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.13Å
74Q98.1Very high96.5Very high86 Ų8644.6 Ų44.640%0.40227%0.272SS..EExtended strand (participates in β ladder)trans-97.6124.4170.3-177.4174.6-1000109.4V10 A60 T61V10-Q74 CarbonylContact O-C 3.4Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.45Å; A60-Q74 CarbonylContact C-O 3.58Å; A60-Q74 WeakPolarHBondContact CA-O 3.2Å; T61-Q74 PolarHBondContact N-O 2.81Å; T61-Q74 PolarHBondContact O-N 2.94Å
75L97.3Very high96.5Very high0 Ų044.5 Ų44.50%027%0.268CS..EExtended strand (participates in β ladder)trans-102.2129.5171.1-65.4167.2000109S9 V10 K59 A60 M73 L78 Y86 L101S9-L75 CarbonylContact C-O 3.53Å; S9-L75 WeakPolarHBondContact CA-O 2.97Å; S9-L75 WeakPolarHBondContact CB-O 3.38Å; V10-L75 HydrophobicContact CG1-CB 4.01Å; V10-L75 HydrophobicContact CG1-CD1 4.31Å; V10-L75 PolarHBondContact N-O 3.38Å; V10-L75 PolarHBondContact O-N 2.89Å; K59-L75 HydrophobicContact CG-CD2 4.3Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.96Å; M73-L75 HydrophobicContact CE-CD1 3.97Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.04Å; M73-L75 HydrophobicContact CG-CD2 4.49Å; M73-L75 HydrophobicContact CG-CG 4.45Å; M73-L75 HydrophobicContact SD-CD2 4.22Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; L75-L101 HydrophobicContact CD1-CD2 4Å
76S96.1Very high96.6Very high33 Ų3342.1 Ų42.123%0.23126%0.255CS..  trans-104.9159.7-178.9620000112.4K59 L78K59-S76 VanDerWaalsContact CD-O 3.22Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.14Å; K59-S76 PolarHBondContact NZ-O 2.89Å; K59-S76 VanDerWaalsContact NZ-O 3.1Å; K59-S76 PolarHBondContact O-N 2.85Å; K59-S76 PolarHBondContact O-OG 2.83Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.95Å
77S95.4Very high96.7Very high78 Ų7840.6 Ų40.655%0.54524%0.241SC..SBendtrans47.850.5172.9-62.70000113.4A8 K59A8-S77 PolarHBondContact O-N 2.95Å; K59-S77 PolarHBondContact NZ-O 2.94Å
78L96.1Very high96.7Very high2 Ų236.2 Ų36.21%0.0121%0.21CC..  trans-56.7141.9-171.1-71170.7000113.2A4 P6 R7 A8 V10 L75 S76 D82 L101 V103A4-L78 HydrophobicContact CB-CD1 3.46Å; A4-L78 VanDerWaalsContact CB-CD1 3.46Å; P6-L78 WeakPolarHBondContact CA-O 3.27Å; R7-L78 PolarHBondContact N-O 3.26Å; A8-L78 VanDerWaalsContact O-CG 3.32Å; A8-L78 WeakPolarHBondContact O-CG 2.95Å; A8-L78 PolarHBondContact O-N 2.87Å; V10-L78 HydrophobicContact CB-CD1 3.95Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L78 HydrophobicContact CG1-CD2 4.24Å; L75-L78 HydrophobicContact CB-CD2 3.8Å; L75-L78 HydrophobicContact CD1-CD2 4.41Å; S76-L78 VanDerWaalsContact C-N 3.32Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; L78-V103 HydrophobicContact CB-CG1 4.07Å; L78-V103 HydrophobicContact CB-CG2 4.11Å; L78-V103 HydrophobicContact CD1-CG2 4.28Å; L78-V103 HydrophobicContact CD2-CG2 4.39Å
79T95.5Very high96.7Very high60 Ų6034.5 Ų34.537%0.36820%0.198SC..  trans-122.5167.6172.267.70000110E81 D82 V103T79-E81 PolarHBondContact O-N 3.01Å; T79-E81 VanDerWaalsContact O-N 3.15Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.34Å; T79-D82 PolarHBondContact OG1-OD2 3.37Å; T79-V103 WeakPolarHBondContact O-CB 3.35Å
80S93.6Very high96.6Very high88 Ų8834.3 Ų34.362%0.61519%0.191SC*.G310 helixtrans-55.6-31.5175.751.30000112.6D82 S83S80-D82 PolarHBondContact O-N 2.86Å; S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.27Å; S80-S83 VanDerWaalsContact O-N 3.07Å; S80-S83 PolarHBondContact O-OG 3.24Å
81E92.6Very high95.9Very high130 Ų13037.2 Ų37.261%0.60721%0.206SC*.G310 helixtrans-67.2-13.6176.6-59.8-173.6179.100114.4K30 R32 T79 S83K30-E81 WeakPolarHBondContact CE-O 2.97Å; K30-E81 PolarHBondContact NZ-O 3.15Å; R32-E81 PolarHBondContact NE-O 3.36Å; R32-E81 PolarHBondContact NH2-O 3.48Å; R32-E81 IonicContact NH2-OE2 3.88Å; T79-E81 PolarHBondContact O-N 3.01Å; T79-E81 VanDerWaalsContact O-N 3.15Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82D95.3Very high95.5Very high10 Ų1042.3 Ų42.35%0.05323%0.226CC..G310 helixtrans-82.3-8.2173.4-63.1-46.5000112.8K30 K59 L78 T79 S80 A84 Y86 V103K30-D82 IonicContact NZ-OD1 3.27Å; K30-D82 PolarHBondContact NZ-OD1 3.45Å; K59-D82 WeakPolarHBondContact CE-OD2 3.45Å; K59-D82 IonicContact NZ-OD1 3.94Å; K59-D82 IonicContact NZ-OD2 2.69Å; K59-D82 PolarHBondContact NZ-OD2 2.84Å; L78-D82 WeakPolarHBondContact CA-OD2 3.26Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; T79-D82 PolarHBondContact N-OD2 3.49Å; T79-D82 WeakPolarHBondContact O-CB 3.45Å; T79-D82 PolarHBondContact O-N 3.34Å; T79-D82 PolarHBondContact OG1-OD2 3.37Å; S80-D82 PolarHBondContact O-N 2.86Å; D82-A84 PolarHBondContact O-N 3.04Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 3.48Å; D82-V103 HydrophobicContact CB-CG2 4.19Å
83S96.6Very high95Very high37 Ų3745.7 Ų45.726%0.25925%0.247SC..  trans-64.8115.1171.9-56.20000110.4S80 E81 L101 V103S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.38Å; S80-S83 PolarHBondContact O-N 3.27Å; S80-S83 VanDerWaalsContact O-N 3.07Å; S80-S83 PolarHBondContact O-OG 3.24Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-L101 VanDerWaalsContact CA-O 3.27Å; S83-L101 WeakPolarHBondContact CA-O 3.42Å; S83-V103 PolarHBondContact OG-N 2.62Å
84A97.3Very high94.7Very high6 Ų652.6 Ų52.65%0.0527%0.274CS..EExtended strand (participates in β ladder)trans-170.2172.8-171.900000110.5K30 Q31 R32 D82 Y86 L101K30-A84 HydrophobicContact CD-CB 4.23Å; K30-A84 HydrophobicContact CG-CB 3.58Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.18Å; R32-A84 HydrophobicContact CG-CB 4.11Å; D82-A84 PolarHBondContact O-N 3.04Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; A84-L101 PolarHBondContact N-O 2.61Å; A84-L101 PolarHBondContact O-N 3.33Å
85V97.9Very high94.6Very high33 Ų3353.3 Ų53.320%0.227%0.273CS..EExtended strand (participates in β ladder)trans-93.4130.4161.9-1690000108.7Q31 Y87Q31-V85 PolarHBondContact N-O 3.17Å; Q31-V85 PolarHBondContact O-N 2.85Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 4Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å
86Y98.1Very high94.5Very high3 Ų354.7 Ų54.71%0.01229%0.287CS..EExtended strand (participates in β ladder)trans-109.5126.4179.1-69.4-88.7000110L12 V29 K30 I40 M73 L75 D82 A84 G98 T99 L101L12-Y86 HydrophobicContact CD1-CD1 4.31Å; L12-Y86 HydrophobicContact CD1-CD2 3.93Å; L12-Y86 HydrophobicContact CD1-CG 3.65Å; V29-Y86 CarbonylContact O-C 3.57Å; V29-Y86 WeakPolarHBondContact O-CA 3.16Å; K30-Y86 HydrophobicContact CB-CD1 4.09Å; K30-Y86 HydrophobicContact CB-CE1 3.84Å; K30-Y86 HydrophobicContact CD-CE1 3.9Å; K30-Y86 WeakPolarHBondContact CE-OH 3.22Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.71Å; I40-Y86 HydrophobicContact CD1-CD1 3.77Å; I40-Y86 HydrophobicContact CD1-CE1 3.87Å; M73-Y86 HydrophobicContact CE-CD1 3.52Å; M73-Y86 HydrophobicContact CE-CE1 4.06Å; M73-Y86 HydrophobicContact CE-CG 4.13Å; L75-Y86 HydrophobicContact CD1-CD1 4.32Å; L75-Y86 HydrophobicContact CD1-CE1 3.66Å; L75-Y86 HydrophobicContact CD1-CE2 4.17Å; D82-Y86 VanDerWaalsContact O-CE2 3.29Å; D82-Y86 WeakPolarHBondContact O-CE2 3.4Å; D82-Y86 PolarHBondContact O-OH 3.48Å; A84-Y86 HydrophobicContact CB-CD2 4.39Å; A84-Y86 HydrophobicContact CB-CE2 3.81Å; Y86-G98 CarbonylContact O-C 3.47Å; Y86-G98 VanDerWaalsContact O-CA 3.24Å; Y86-G98 WeakPolarHBondContact O-CA 3.36Å; Y86-T99 PolarHBondContact N-O 3Å; Y86-T99 PolarHBondContact O-N 3.16Å; Y86-L101 HydrophobicContact CD2-CB 3.84Å; Y86-L101 HydrophobicContact CD2-CD2 4.36Å; Y86-L101 HydrophobicContact CE2-CB 3.71Å; Y86-L101 HydrophobicContact CE2-CD2 3.68Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å
87Y98Very high94.4Very high46 Ų4662 Ų6218%0.1832%0.318CS..EExtended strand (participates in β ladder)trans-112.7145.6-179.1-60.6-87.6000110.4W28 V29 Q31 V85 W95 G96 G98W28-Y87 WeakPolarHBondContact CA-O 3.47Å; V29-Y87 PolarHBondContact N-O 3.48Å; V29-Y87 PolarHBondContact O-N 2.8Å; Q31-Y87 HydrophobicContact CB-CD2 4.35Å; Q31-Y87 HydrophobicContact CB-CE2 3.81Å; Q31-Y87 PolarHBondContact OE1-OH 2.86Å; V85-Y87 HydrophobicContact CB-CE2 3.76Å; V85-Y87 HydrophobicContact CG1-CD2 4.25Å; V85-Y87 HydrophobicContact CG1-CE1 4Å; V85-Y87 HydrophobicContact CG1-CE2 3.53Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.44Å; Y87-W95 HydrophobicContact CD1-CE3 4.44Å; Y87-W95 HydrophobicContact CG-CE3 4.1Å; Y87-W95 HydrophobicContact CG-CZ3 4.32Å; Y87-G96 WeakPolarHBondContact CD1-O 3.3Å; Y87-G98 VanDerWaalsContact CD1-CA 3.42Å
88C97.2Very high94.4Very high14 Ų1459.6 Ų59.610%0.09531%0.305CS..EExtended strand (participates in β ladder)trans-102.3146.7159.261.80000109.4C14 M26 H27 W28 G96C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.43Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.87Å; M26-C88 HydrophobicContact CG-CB 4.35Å; M26-C88 HydrophobicContact SD-CB 3.71Å; H27-C88 CarbonylContact O-C 3.55Å; H27-C88 WeakPolarHBondContact O-CA 3.43Å; W28-C88 HydrophobicContact CD2-CB 4.43Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.36Å; W28-C88 HydrophobicContact CZ2-CB 4.47Å; W28-C88 HydrophobicContact CZ3-CB 4.26Å; C88-G96 PolarHBondContact O-N 3.4Å
89A96.8Very high94.5Very high1 Ų161.6 Ų61.61%0.00832%0.317CS..EExtended strand (participates in β ladder)trans-140.1137.3177.500000112H27 Y94 W95H27-A89 HydrophobicContact CB-CB 4.35Å; H27-A89 WeakPolarHBondContact CB-O 3.42Å; H27-A89 PolarHBondContact N-O 2.95Å; H27-A89 PolarHBondContact O-N 3.29Å; A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 WeakPolarHBondContact CA-O 3.5Å; A89-W95 HydrophobicContact CB-CD2 3.81Å; A89-W95 HydrophobicContact CB-CE3 4.08Å; A89-W95 HydrophobicContact CB-CG 4.2Å; A89-W95 HydrophobicContact CB-CZ2 4.33Å; A89-W95 HydrophobicContact CB-CZ3 4.43Å
90R93.6Very high94.5Very high36 Ų3661.9 Ų61.914%0.13632%0.319CS..EExtended strand (participates in β ladder)trans-94.1117.1173.2-178.5-170.976.1176.53.5109Y19 Y24 W92 D93 Y94Y19-R90 VanDerWaalsContact CE2-CD 3.48Å; Y19-R90 HydrophobicContact CE2-CG 4.29Å; Y24-R90 HydrophobicContact CD1-CG 3.88Å; Y24-R90 HydrophobicContact CD2-CG 4.5Å; Y24-R90 HydrophobicContact CG-CG 3.75Å; R90-W92 PolarHBondContact O-N 3.01Å; R90-D93 PolarHBondContact O-N 2.78Å; R90-D93 VanDerWaalsContact O-N 3.15Å; R90-Y94 PolarHBondContact N-O 3.33Å; R90-Y94 VanDerWaalsContact NH2-CZ 3.26Å; R90-Y94 PolarHBondContact O-N 2.82Å
91N83.8Confident94.7Very high68 Ų6857.7 Ų57.736%0.36429%0.29SS..THydrogen-bonded Turntrans48.324.6-179.2-76.38.1000115Y24 D93Y24-N91 WeakPolarHBondContact CD1-ND2 3.25Å; N91-D93 PolarHBondContact O-N 2.63Å
92W89.2Confident94.9Very high108 Ų10854.5 Ų54.541%0.40928%0.279SS..THydrogen-bonded Turntrans65.4-10.1-173.4-53.2103.4000116.9H27 V29 W39 R90 W95H27-W92 HydrophobicContact CB-CH2 4.46Å; H27-W92 HydrophobicContact CB-CZ2 4.31Å; H27-W92 AromaticContact CE1-CE2 3.7Å; H27-W92 AromaticContact CE1-CZ2 3.92Å; H27-W92 AromaticContact CE1-NE1 3.29Å; H27-W92 PolarHBondContact CE1-NE1 2.82Å; H27-W92 VanDerWaalsContact CE1-NE1 3.29Å; H27-W92 AromaticContact CG-CE2 3.81Å; H27-W92 AromaticContact CG-CZ2 3.91Å; H27-W92 AromaticContact ND1-CE2 3.37Å; H27-W92 AromaticContact ND1-CZ2 3.25Å; H27-W92 VanDerWaalsContact ND1-CZ2 3.25Å; H27-W92 WeakPolarHBondContact ND1-CZ2 3.5Å; H27-W92 AromaticContact ND1-NE1 3.48Å; H27-W92 PolarHBondContact ND1-NE1 3.22Å; H27-W92 AromaticContact NE2-NE1 3.71Å; V29-W92 HydrophobicContact CG2-CH2 3.95Å; V29-W92 HydrophobicContact CG2-CZ3 3.57Å; W39-W92 HydrophobicContact CB-CH2 4.01Å; W39-W92 AromaticContact CD1-CH2 3.2Å; W39-W92 AromaticContact CD1-CZ2 3.49Å; W39-W92 VanDerWaalsContact CD1-CZ2 3.49Å; W39-W92 AromaticContact CG-CH2 3.71Å; W39-W92 HydrophobicContact CG-CH2 3.71Å; W39-W92 HydrophobicContact CG-CZ2 4.01Å; W39-W92 AromaticContact NE1-CH2 3.96Å; W39-W92 AromaticContact NE1-CZ2 3.78Å; R90-W92 PolarHBondContact O-N 3.01Å; W92-W95 HydrophobicContact CE3-CH2 4.02Å; W92-W95 AromaticContact CE3-CZ2 3.69Å; W92-W95 HydrophobicContact CE3-CZ2 3.69Å; W92-W95 AromaticContact CZ3-CH2 3.9Å; W92-W95 HydrophobicContact CZ3-CH2 3.9Å; W92-W95 HydrophobicContact CZ3-CZ2 4.05Å; W92-W95 PolarHBondContact O-NE1 3.07Å
93D87.7Confident94.9Very high121 Ų12154.4 Ų54.465%0.64728%0.279SS*.THydrogen-bonded Turntrans-84.4-29.9-178.6-57-46.7000112.7R90 N91R90-D93 PolarHBondContact O-N 2.78Å; R90-D93 VanDerWaalsContact O-N 3.15Å; N91-D93 PolarHBondContact O-N 2.63Å
94Y92.8Very high94.5Very high144 Ų14458 Ų5857%0.56530%0.304SS*.EExtended strand (participates in β ladder)trans-127.2124.7-175.4-59.3-95.3000110.7A89 R90A89-Y94 CarbonylContact C-O 3.59Å; A89-Y94 WeakPolarHBondContact CA-O 3.5Å; R90-Y94 PolarHBondContact N-O 3.33Å; R90-Y94 VanDerWaalsContact NH2-CZ 3.26Å; R90-Y94 PolarHBondContact O-N 2.82Å
95W95.8Very high94.4Very high102 Ų10260.7 Ų60.739%0.38632%0.317SS..EExtended strand (participates in β ladder)trans-113.3140.1-174.3-67.270.8000110.9V29 L37 Y87 A89 W92V29-W95 HydrophobicContact CB-CH2 4.25Å; V29-W95 HydrophobicContact CB-CZ3 3.9Å; V29-W95 HydrophobicContact CG1-CH2 4.17Å; V29-W95 HydrophobicContact CG1-CZ3 4.08Å; V29-W95 HydrophobicContact CG2-CH2 3.8Å; V29-W95 HydrophobicContact CG2-CZ3 3.81Å; L37-W95 HydrophobicContact CD1-CH2 3.87Å; L37-W95 HydrophobicContact CD1-CZ3 4.41Å; Y87-W95 HydrophobicContact CD1-CE3 4.44Å; Y87-W95 HydrophobicContact CG-CE3 4.1Å; Y87-W95 HydrophobicContact CG-CZ3 4.32Å; A89-W95 HydrophobicContact CB-CD2 3.81Å; A89-W95 HydrophobicContact CB-CE3 4.08Å; A89-W95 HydrophobicContact CB-CG 4.2Å; A89-W95 HydrophobicContact CB-CZ2 4.33Å; A89-W95 HydrophobicContact CB-CZ3 4.43Å; W92-W95 HydrophobicContact CE3-CH2 4.02Å; W92-W95 AromaticContact CE3-CZ2 3.69Å; W92-W95 HydrophobicContact CE3-CZ2 3.69Å; W92-W95 AromaticContact CZ3-CH2 3.9Å; W92-W95 HydrophobicContact CZ3-CH2 3.9Å; W92-W95 HydrophobicContact CZ3-CZ2 4.05Å; W92-W95 PolarHBondContact O-NE1 3.07Å
96G95.1Very high94.2Very high28 Ų2862.1 Ų62.129%0.28932%0.323SS..  trans-67.8164.3166.400000111.3Y87 C88 G98Y87-G96 WeakPolarHBondContact CD1-O 3.3Å; C88-G96 PolarHBondContact O-N 3.4Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-G98 VanDerWaalsContact O-N 3.07Å
97Q94.6Very high94Very high188 Ų18865.4 Ų65.488%0.87934%0.341SS*.  trans-60.6-20178.2-64.9-63.9-35.500113.5
98G95.4Very high93.8Very high26 Ų2666.5 Ų66.527%0.26835%0.35SS..  trans84.7150.9-175.600000112.4Y86 Y87 G96Y86-G98 CarbonylContact O-C 3.47Å; Y86-G98 VanDerWaalsContact O-CA 3.24Å; Y86-G98 WeakPolarHBondContact O-CA 3.36Å; Y87-G98 VanDerWaalsContact CD1-CA 3.42Å; G96-G98 PolarHBondContact O-N 3.04Å; G96-G98 VanDerWaalsContact O-N 3.07Å
99T96.9Very high93.5Very high45 Ų4569.8 Ų69.828%0.27637%0.366SS..EExtended strand (participates in β ladder)trans-121.1116.3176.1-60.40000109L12 Y86 L101L12-T99 HydrophobicContact CD2-CG2 3.83Å; Y86-T99 PolarHBondContact N-O 3Å; Y86-T99 PolarHBondContact O-N 3.16Å; T99-L101 PolarHBondContact O-N 3.38Å
100T97.4Very high93.3Very high65 Ų6574.4 Ų74.440%0.39939%0.39SS..EExtended strand (participates in β ladder)trans-69.6119.5170.3-48.80000109.5A1 E2A1-T100 CarbonylContact C-O 3.51Å; A1-T100 WeakPolarHBondContact CA-O 3.31Å; E2-T100 PolarHBondContact N-O 3.43Å
101L96.6Very high93.3Very high1 Ų177.1 Ų77.11%0.00541%0.408CS..EExtended strand (participates in β ladder)trans-105129168.9175.366000108.4E2 A4 V10 L75 L78 S83 A84 Y86 T99 V103E2-L101 HydrophobicContact CB-CD1 4.1Å; E2-L101 HydrophobicContact CG-CD1 4.32Å; E2-L101 CarbonylContact O-C 3.38Å; E2-L101 WeakPolarHBondContact O-CA 3.31Å; A4-L101 HydrophobicContact CB-CD1 4.06Å; V10-L101 HydrophobicContact CB-CD1 4.45Å; V10-L101 HydrophobicContact CG1-CD1 4.06Å; V10-L101 HydrophobicContact CG1-CD2 3.8Å; V10-L101 HydrophobicContact CG2-CD1 4.15Å; L75-L101 HydrophobicContact CD1-CD2 4Å; L78-L101 HydrophobicContact CD2-CD2 4.02Å; S83-L101 VanDerWaalsContact CA-O 3.27Å; S83-L101 WeakPolarHBondContact CA-O 3.42Å; A84-L101 PolarHBondContact N-O 2.61Å; A84-L101 PolarHBondContact O-N 3.33Å; Y86-L101 HydrophobicContact CD2-CB 3.84Å; Y86-L101 HydrophobicContact CD2-CD2 4.36Å; Y86-L101 HydrophobicContact CE2-CB 3.71Å; Y86-L101 HydrophobicContact CE2-CD2 3.68Å; Y86-L101 HydrophobicContact CE2-CG 4.3Å; T99-L101 PolarHBondContact O-N 3.38Å; L101-V103 HydrophobicContact CD2-CG2 4.39Å; L101-V103 HydrophobicContact CG-CG2 4.24Å
102T96.4Very high94Very high62 Ų6277.8 Ų77.838%0.3841%0.411SS..EExtended strand (participates in β ladder)trans-116.6129.5172.5-55.10000109.1E2 L3 A4E2-T102 PolarHBondContact O-N 3.26Å; L3-T102 HydrophobicContact CD1-CG2 4.09Å; A4-T102 PolarHBondContact N-O 2.96Å
103V95.1Very high94.4Very high9 Ų975.3 Ų75.36%0.05541%0.412CS..EExtended strand (participates in β ladder)trans-113.8111.7176.7-172.30000109A4 P6 L78 T79 D82 S83 L101A4-V103 WeakPolarHBondContact O-CA 3.47Å; P6-V103 HydrophobicContact CG-CG1 4.24Å; L78-V103 HydrophobicContact CB-CG1 4.07Å; L78-V103 HydrophobicContact CB-CG2 4.11Å; L78-V103 HydrophobicContact CD1-CG2 4.28Å; L78-V103 HydrophobicContact CD2-CG2 4.39Å; T79-V103 WeakPolarHBondContact O-CB 3.35Å; D82-V103 HydrophobicContact CB-CG2 4.19Å; S83-V103 PolarHBondContact OG-N 2.62Å; L101-V103 HydrophobicContact CD2-CG2 4.39Å; L101-V103 HydrophobicContact CG-CG2 4.24Å
104S89.6Confident95.1Very high113 Ų11371.2 Ų71.279%0.7939%0.39SS*.  trans-141.60-176.865.20000112.1A4 P6A4-S104 PolarHBondContact O-N 3.41Å; P6-S104 WeakPolarHBondContact CD-O 3.39Å

Retrieved 104 of 104 residues in 23.8 ms (Link to these results)

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