X5J5C2_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C2, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 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
1M95.5Very high93.1Very high63 Ų6366.5 Ų66.531%0.3141%0.414SS..  0148.9058.8-172.877.500109.7W17 Y61 M62 L64 Y75M1-W17 HydrophobicContact CB-CH2 4.38Å; M1-W17 HydrophobicContact CB-CZ3 4.29Å; M1-W17 HydrophobicContact CG-CE3 4.1Å; M1-W17 HydrophobicContact CG-CH2 3.63Å; M1-W17 HydrophobicContact CG-CZ2 4.49Å; M1-W17 HydrophobicContact CG-CZ3 3.41Å; M1-W17 VanDerWaalsContact CG-CZ3 3.41Å; M1-W17 HydrophobicContact SD-CE3 3.56Å; M1-W17 VanDerWaalsContact SD-CE3 3.56Å; M1-W17 HydrophobicContact SD-CH2 4.15Å; M1-W17 HydrophobicContact SD-CZ3 3.29Å; M1-W17 WeakPolarHBondContact SD-CZ3 3.31Å; M1-Y61 VanDerWaalsContact O-CA 3.26Å; M1-Y61 WeakPolarHBondContact O-CA 3.49Å; M1-M62 HydrophobicContact CE-CE 3.35Å; M1-M62 HydrophobicContact CG-CB 3.74Å; M1-M62 HydrophobicContact CG-CE 4.21Å; M1-M62 VanDerWaalsContact CG-O 3.32Å; M1-M62 WeakPolarHBondContact CG-O 3.29Å; M1-M62 PolarHBondContact N-O 3.47Å; M1-M62 PolarHBondContact O-N 2.84Å; M1-M62 HydrophobicContact SD-CB 4.22Å; M1-M62 HydrophobicContact SD-CE 3.2Å; M1-M62 WeakPolarHBondContact SD-CE 3.26Å; M1-L64 HydrophobicContact CE-CD1 3.5Å; M1-L64 VanDerWaalsContact CE-CD1 3.5Å; M1-L64 HydrophobicContact CE-CG 4.16Å; M1-Y75 HydrophobicContact CE-CD1 3.93Å; M1-Y75 HydrophobicContact CE-CD2 4.34Å; M1-Y75 HydrophobicContact CE-CG 3.75Å; M1-Y75 HydrophobicContact SD-CD1 4.5Å; M1-Y75 HydrophobicContact SD-CG 4.32Å
2S97.1Very high92.9Very high80 Ų8065.8 Ų65.856%0.55941%0.414SS*.EExtended strand (participates in β ladder)trans-121147.5-178.855.10000110.6A60 Y61S2-A60 CarbonylContact C-O 3.55Å; S2-A60 WeakPolarHBondContact CA-O 3.46Å; S2-Y61 VanDerWaalsContact CB-CE1 3.47Å
3C96.6Very high92.7Very high17 Ų1766 Ų6612%0.11540%0.402CS..EExtended strand (participates in β ladder)trans-134.2104.1177-178.60000108.3W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.59Å; C3-W17 HydrophobicContact CB-CZ2 3.83Å; C3-W17 HydrophobicContact CB-CZ3 4.41Å; C3-T59 WeakPolarHBondContact O-CA 3.45Å; C3-A60 PolarHBondContact N-O 3Å; C3-A60 PolarHBondContact O-N 3.24Å; C3-C77 HydrophobicContact CB-CB 3.47Å; C3-C77 VanDerWaalsContact CB-CB 3.47Å; C3-C77 WeakPolarHBondContact CB-SG 3.41Å; C3-C77 WeakPolarHBondContact SG-CB 3.42Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.4Å
4K96.3Very high92.8Very high157 Ų15766.4 Ų66.468%0.68339%0.393SS*.EExtended strand (participates in β ladder)trans-90.5124.2-179.7-173.5173.6-176.6177.30110T59K4-T59 HydrophobicContact CB-CG2 4.46Å
5A93.2Very high93Very high11 Ų1162.1 Ų62.19%0.09137%0.367CS..  trans-79.1148.9175.200000111.6Y8 F10 S58A5-Y8 HydrophobicContact CB-CE1 3.83Å; A5-Y8 HydrophobicContact CB-CE2 4.09Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.45Å; A5-F10 HydrophobicContact CB-CB 4.12Å; A5-F10 HydrophobicContact CB-CD2 3.25Å; A5-F10 HydrophobicContact CB-CE2 3.86Å; A5-F10 HydrophobicContact CB-CG 3.97Å; A5-S58 PolarHBondContact N-O 2.83Å
6S91.1Very high93.2Very high104 Ų10458.2 Ų58.273%0.72734%0.344SS*.  trans-148.9147.4172.662.50000110.2Y8S6-Y8 VanDerWaalsContact O-CD1 3.22Å; S6-Y8 WeakPolarHBondContact O-CD1 3.24Å; S6-Y8 PolarHBondContact O-N 3.26Å
7G89Confident93.4Very high90 Ų9055.1 Ų55.193%0.92833%0.325SS*.SBendtrans77.812175.500000116.3
8Y86.5Confident93.6Very high60 Ų6052.2 Ų52.224%0.23531%0.308CS..SBendtrans-155.9166174.164-87.4000112.6A5 S6 F10 Y13 I15 R79A5-Y8 HydrophobicContact CB-CE1 3.83Å; A5-Y8 HydrophobicContact CB-CE2 4.09Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.45Å; S6-Y8 VanDerWaalsContact O-CD1 3.22Å; S6-Y8 WeakPolarHBondContact O-CD1 3.24Å; S6-Y8 PolarHBondContact O-N 3.26Å; Y8-F10 HydrophobicContact CE2-CD2 4.35Å; Y8-F10 PolarHBondContact O-N 3.02Å; 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 3.86Å; Y8-Y13 HydrophobicContact CD2-CE2 3.86Å; Y8-Y13 HydrophobicContact CD2-CG 4.3Å; Y8-Y13 AromaticContact CE2-CD2 3.9Å; Y8-Y13 HydrophobicContact CE2-CD2 3.9Å; Y8-Y13 HydrophobicContact CE2-CG 4.38Å; Y8-Y13 HydrophobicContact CG-CD2 4.42Å; Y8-Y13 HydrophobicContact CG-CE2 4.46Å; Y8-I15 WeakPolarHBondContact OH-CD1 3.43Å; Y8-R79 HydrophobicContact CE2-CG 4.17Å
9T91.8Very high93.8Very high88 Ų8849.4 Ų49.454%0.5429%0.292SS..  trans-70.695.6173.7-51.80000110.2T11 S12 Y13T9-T11 PolarHBondContact O-N 2.81Å; T9-T11 VanDerWaalsContact O-N 3.12Å; T9-S12 WeakPolarHBondContact CG2-OG 3.27Å; T9-S12 PolarHBondContact O-N 2.94Å; T9-Y13 WeakPolarHBondContact O-CD2 3.44Å
10F92.9Very high93.9Very high6 Ų650.2 Ų50.23%0.02629%0.292CS..G310 helixtrans-53.2-35.3-174.1178.3-120.1000114.3A5 Y8 S12 I15 P34 V53 S58 A60A5-F10 HydrophobicContact CB-CB 4.12Å; A5-F10 HydrophobicContact CB-CD2 3.25Å; A5-F10 HydrophobicContact CB-CE2 3.86Å; A5-F10 HydrophobicContact CB-CG 3.97Å; Y8-F10 HydrophobicContact CE2-CD2 4.35Å; Y8-F10 PolarHBondContact O-N 3.02Å; F10-S12 PolarHBondContact O-N 2.79Å; F10-I15 HydrophobicContact CD2-CD1 4.06Å; F10-I15 HydrophobicContact CD2-CG1 4.37Å; F10-I15 HydrophobicContact CE2-CD1 3.68Å; F10-I15 HydrophobicContact CE2-CG1 3.6Å; F10-I15 HydrophobicContact CZ-CG1 4.25Å; F10-P34 HydrophobicContact CD1-CB 3.81Å; F10-P34 HydrophobicContact CD1-CG 4.12Å; F10-P34 HydrophobicContact CD2-CG 4.19Å; F10-P34 HydrophobicContact CE1-CB 3.6Å; F10-P34 HydrophobicContact CE1-CG 3.75Å; F10-P34 HydrophobicContact CE2-CG 3.83Å; F10-P34 HydrophobicContact CG-CB 4.39Å; F10-P34 HydrophobicContact CG-CG 4.35Å; F10-P34 HydrophobicContact CZ-CB 3.99Å; F10-P34 HydrophobicContact CZ-CG 3.59Å; F10-P34 WeakPolarHBondContact O-CG 3.46Å; F10-V53 HydrophobicContact CE1-CG2 3.31Å; F10-V53 HydrophobicContact CZ-CG2 3.58Å; F10-S58 VanDerWaalsContact CD1-CA 3.45Å; F10-A60 HydrophobicContact CE2-CB 4.37Å; F10-A60 HydrophobicContact CZ-CB 3.96Å
11T94.1Very high94Very high56 Ų5650.4 Ų50.434%0.34429%0.288SS..G310 helixtrans-73.4-4.7-179.251.80000115.3T9 Y33 G35 T55T9-T11 PolarHBondContact O-N 2.81Å; T9-T11 VanDerWaalsContact O-N 3.12Å; T11-Y33 PolarHBondContact O-OH 3.46Å; T11-G35 WeakPolarHBondContact O-CA 3.2Å; T11-G35 PolarHBondContact O-N 3.35Å; T11-T55 HydrophobicContact CG2-CG2 3.94Å
12S91.2Very high93.8Very high58 Ų5853.1 Ų53.141%0.40631%0.311SS..G310 helixtrans-105.12-176.7-54.60000114.4T9 F10T9-S12 WeakPolarHBondContact CG2-OG 3.27Å; T9-S12 PolarHBondContact O-N 2.94Å; F10-S12 PolarHBondContact O-N 2.79Å
13Y90.5Very high93.6Very high68 Ų6853.8 Ų53.827%0.26733%0.33SS..SBendtrans-136145-174.8-62.1-86.7000111.8Y8 T9 P34 R79Y8-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 3.86Å; Y8-Y13 HydrophobicContact CD2-CE2 3.86Å; Y8-Y13 HydrophobicContact CD2-CG 4.3Å; Y8-Y13 AromaticContact CE2-CD2 3.9Å; Y8-Y13 HydrophobicContact CE2-CD2 3.9Å; Y8-Y13 HydrophobicContact CE2-CG 4.38Å; Y8-Y13 HydrophobicContact CG-CD2 4.42Å; Y8-Y13 HydrophobicContact CG-CE2 4.46Å; T9-Y13 WeakPolarHBondContact O-CD2 3.44Å; Y13-P34 WeakPolarHBondContact O-CD 3.38Å; Y13-R79 HydrophobicContact CD1-CG 4.26Å; Y13-R79 HydrophobicContact CG-CG 4.05Å
14W93.6Very high93.5Very high72 Ų7257.8 Ų57.827%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-71.5139.5170-67.385.3000110.4D31 I32 Y33 S38 N40 W80W14-D31 HydrophobicContact CE3-CB 3.96Å; W14-D31 WeakPolarHBondContact CZ3-OD1 3.41Å; W14-I32 VanDerWaalsContact CE3-C 3.4Å; W14-Y33 AromaticContact CD1-CD2 3.68Å; W14-Y33 AromaticContact CD2-CD2 3.94Å; W14-Y33 HydrophobicContact CD2-CD2 3.94Å; W14-Y33 HydrophobicContact CD2-CG 4.24Å; W14-Y33 AromaticContact CE2-CD2 3.81Å; W14-Y33 VanDerWaalsContact CE3-N 3.27Å; W14-Y33 AromaticContact CG-CD2 3.87Å; W14-Y33 HydrophobicContact CG-CD2 3.87Å; W14-Y33 HydrophobicContact CZ2-CD2 4.48Å; W14-Y33 HydrophobicContact CZ2-CG 4.26Å; W14-Y33 AromaticContact NE1-CD2 3.61Å; W14-S38 WeakPolarHBondContact CZ3-O 3.45Å; W14-N40 WeakPolarHBondContact CH2-ND2 3.5Å; W14-N40 WeakPolarHBondContact CZ3-ND2 3.37Å; W14-W80 HydrophobicContact CB-CB 3.98Å; W14-W80 PolarHBondContact O-N 3.04Å
15I95.6Very high93.4Very high1 Ų152.9 Ų52.91%0.00534%0.341CS..EExtended strand (participates in β ladder)trans-105.4114.8170.7-49.1-60.4000107.8Y8 F10 D31 I32 P34 A60 C77Y8-I15 WeakPolarHBondContact OH-CD1 3.43Å; F10-I15 HydrophobicContact CD2-CD1 4.06Å; F10-I15 HydrophobicContact CD2-CG1 4.37Å; F10-I15 HydrophobicContact CE2-CD1 3.68Å; F10-I15 HydrophobicContact CE2-CG1 3.6Å; F10-I15 HydrophobicContact CZ-CG1 4.25Å; I15-D31 CarbonylContact O-C 3.57Å; I15-D31 WeakPolarHBondContact O-CA 3.26Å; I15-D31 WeakPolarHBondContact O-CB 3.46Å; I15-I32 HydrophobicContact CB-CG2 4.17Å; I15-I32 PolarHBondContact N-O 2.82Å; I15-I32 PolarHBondContact O-N 3.19Å; I15-P34 HydrophobicContact CG1-CG 3.88Å; I15-A60 HydrophobicContact CB-CB 4.04Å; I15-A60 HydrophobicContact CG1-CB 4.1Å; I15-A60 HydrophobicContact CG2-CB 3.82Å; I15-C77 HydrophobicContact CG2-CB 4.33Å
16T95.9Very high93.4Very high0 Ų056.9 Ų56.90%036%0.361CS..EExtended strand (participates in β ladder)trans-97.9140.8-177.6-59.30000110.7V18 C77 A78 M89T16-V18 HydrophobicContact CG2-CG2 3.89Å; T16-C77 CarbonylContact O-C 3.54Å; T16-C77 VanDerWaalsContact O-CA 3.22Å; T16-C77 WeakPolarHBondContact O-CA 3.43Å; T16-A78 PolarHBondContact N-O 3.12Å; T16-A78 PolarHBondContact O-N 2.89Å; T16-M89 HydrophobicContact CG2-CE 3.83Å; T16-M89 HydrophobicContact CG2-SD 4.42Å
17W97.5Very high93.6Very high5 Ų553.6 Ų53.62%0.01933%0.334CS..EExtended strand (participates in β ladder)trans-111.1135.6172.7-65.692.2000110.7M1 C3 I29 G30 L51 A60 M62 Y76 C77M1-W17 HydrophobicContact CB-CH2 4.38Å; M1-W17 HydrophobicContact CB-CZ3 4.29Å; M1-W17 HydrophobicContact CG-CE3 4.1Å; M1-W17 HydrophobicContact CG-CH2 3.63Å; M1-W17 HydrophobicContact CG-CZ2 4.49Å; M1-W17 HydrophobicContact CG-CZ3 3.41Å; M1-W17 VanDerWaalsContact CG-CZ3 3.41Å; M1-W17 HydrophobicContact SD-CE3 3.56Å; M1-W17 VanDerWaalsContact SD-CE3 3.56Å; M1-W17 HydrophobicContact SD-CH2 4.15Å; M1-W17 HydrophobicContact SD-CZ3 3.29Å; M1-W17 WeakPolarHBondContact SD-CZ3 3.31Å; C3-W17 HydrophobicContact CB-CH2 3.59Å; C3-W17 HydrophobicContact CB-CZ2 3.83Å; C3-W17 HydrophobicContact CB-CZ3 4.41Å; W17-I29 HydrophobicContact CB-CB 4.2Å; W17-I29 HydrophobicContact CB-CD1 4.32Å; W17-I29 WeakPolarHBondContact O-CB 3.48Å; W17-I29 PolarHBondContact O-N 3.25Å; W17-G30 PolarHBondContact N-O 3.17Å; W17-L51 VanDerWaalsContact CD1-CD2 3.49Å; W17-L51 HydrophobicContact CG-CD2 4.15Å; W17-A60 HydrophobicContact CZ2-CB 4.46Å; W17-M62 HydrophobicContact CB-CE 4.29Å; W17-M62 HydrophobicContact CB-SD 3.86Å; W17-M62 HydrophobicContact CD2-CB 3.74Å; W17-M62 HydrophobicContact CD2-CE 4.32Å; W17-M62 HydrophobicContact CD2-SD 4.26Å; W17-M62 HydrophobicContact CE3-CB 4.13Å; W17-M62 HydrophobicContact CE3-CE 4.06Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.46Å; W17-M62 HydrophobicContact CG-SD 3.96Å; W17-M62 HydrophobicContact CH2-CB 4.33Å; W17-M62 HydrophobicContact CZ2-CB 3.96Å; W17-M62 HydrophobicContact CZ3-CB 4.42Å; W17-Y76 WeakPolarHBondContact CA-O 3.24Å; W17-C77 HydrophobicContact CD2-CB 4.25Å; W17-C77 HydrophobicContact CE3-CB 3.92Å; W17-C77 HydrophobicContact CH2-CB 4.07Å; W17-C77 HydrophobicContact CZ2-CB 4.38Å; W17-C77 HydrophobicContact CZ3-CB 3.81Å
18V96.9Very high94Very high3 Ų353.1 Ų53.12%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-136.9138.1-174.2-175.30000109.6T16 L26 E27 Y75 Y76 M89 W92T16-V18 HydrophobicContact CG2-CG2 3.89Å; V18-L26 HydrophobicContact CG1-CB 3.69Å; V18-L26 HydrophobicContact CG1-CD2 3.81Å; V18-L26 HydrophobicContact CG1-CG 4.23Å; V18-E27 CarbonylContact C-O 3.45Å; V18-E27 WeakPolarHBondContact CA-O 3.46Å; V18-E27 WeakPolarHBondContact CG1-O 3.32Å; V18-Y75 CarbonylContact O-C 3.58Å; V18-Y75 WeakPolarHBondContact O-CA 3.37Å; V18-Y76 PolarHBondContact N-O 2.94Å; V18-Y76 PolarHBondContact O-N 2.95Å; V18-M89 HydrophobicContact CG2-SD 4.35Å; V18-W92 HydrophobicContact CB-CH2 4.18Å; V18-W92 HydrophobicContact CB-CZ3 3.93Å; V18-W92 HydrophobicContact CG1-CH2 4.19Å; V18-W92 HydrophobicContact CG1-CZ3 4.2Å; V18-W92 HydrophobicContact CG2-CH2 3.83Å; V18-W92 HydrophobicContact CG2-CZ3 3.95Å
19K96.4Very high94.5Very high0 Ų050.3 Ų50.30%029%0.293CS..EExtended strand (participates in β ladder)trans-104.8140.4174.4-177.3-177.4177.3-172.50109.7E27 I29 F45 E70 D71 A73 Y75K19-E27 HydrophobicContact CB-CB 4.39Å; K19-E27 PolarHBondContact N-O 3.09Å; K19-E27 PolarHBondContact O-N 3.2Å; K19-I29 HydrophobicContact CB-CD1 3.94Å; K19-I29 HydrophobicContact CB-CG1 4.13Å; K19-F45 HydrophobicContact CD-CE1 3.91Å; K19-F45 HydrophobicContact CD-CZ 3.99Å; K19-E70 PolarHBondContact NZ-O 2.95Å; K19-D71 IonicContact NZ-OD1 3.46Å; K19-D71 PolarHBondContact NZ-OD1 2.64Å; K19-A73 HydrophobicContact CD-CB 4.06Å; K19-A73 HydrophobicContact CG-CB 3.4Å; K19-A73 VanDerWaalsContact CG-CB 3.4Å; K19-Y75 HydrophobicContact CB-CD1 4.18Å; K19-Y75 HydrophobicContact CB-CE1 3.97Å; K19-Y75 HydrophobicContact CD-CE1 3.98Å; K19-Y75 WeakPolarHBondContact CE-OH 3.25Å; K19-Y75 HydrophobicContact CG-CD1 4.32Å; K19-Y75 HydrophobicContact CG-CE1 3.81Å; K19-Y75 HydrophobicContact CG-CE2 4.47Å
20Q97.2Very high94.7Very high64 Ų6446.1 Ų46.130%0.29927%0.267SS..EExtended strand (participates in β ladder)trans-131.3117.2171.5-165.9-177.827.400110.4L26 A73 V74 Y76Q20-L26 HydrophobicContact CB-CD2 3.9Å; Q20-L26 HydrophobicContact CG-CD2 3.98Å; Q20-A73 WeakPolarHBondContact O-CA 3.46Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.36Å; Q20-V74 PolarHBondContact N-O 2.88Å; Q20-V74 PolarHBondContact O-N 3.19Å; Q20-Y76 HydrophobicContact CB-CD2 4.43Å; Q20-Y76 HydrophobicContact CB-CE2 3.75Å; Q20-Y76 PolarHBondContact OE1-OH 3.02Å
21R95.6Very high94.8Very high56 Ų5646.8 Ų46.821%0.21127%0.271CS..  trans-84.5150.8169.7-59.5-164.8-170.585.62.2110.4G23 Q24 E27 E70 A73R21-G23 PolarHBondContact O-N 3.06Å; R21-Q24 HydrophobicContact CB-CB 4.01Å; R21-Q24 HydrophobicContact CB-CG 4.03Å; R21-Q24 PolarHBondContact O-N 2.86Å; R21-E27 IonicContact CZ-OE1 3.47Å; R21-E27 IonicContact NH1-OE1 3.99Å; R21-E27 PolarHBondContact NH1-OE1 3Å; R21-E27 IonicContact NH2-OE1 2.98Å; R21-E70 PolarHBondContact NE-O 2.81Å; R21-E70 PolarHBondContact NH2-O 2.89Å; R21-A73 HydrophobicContact CG-CB 4.25Å
22P91.6Very high95Very high120 Ų12044.2 Ų44.278%0.77926%0.255SS*.THydrogen-bonded Turntrans-52.2127.1172.3-25.634.7000111.4Q24P22-Q24 PolarHBondContact O-N 3.24Å
23G92.7Very high95.2Very high94 Ų9444.6 Ų44.697%0.96925%0.248SC*.THydrogen-bonded Turntrans72.14.7-179.500000115.7R21R21-G23 PolarHBondContact O-N 3.06Å
24Q93.9Very high95.5Very high100 Ų10041.6 Ų41.647%0.46724%0.237SC..SBendtrans-113.2161.8176.4-59.3-171.7-5.900111.9R21 P22R21-Q24 HydrophobicContact CB-CB 4.01Å; R21-Q24 HydrophobicContact CB-CG 4.03Å; R21-Q24 PolarHBondContact O-N 2.86Å; P22-Q24 PolarHBondContact O-N 3.24Å
25G93.4Very high95.5Very high55 Ų5540.4 Ų40.457%0.56725%0.248SC*.  trans-67.6174.6173.200000113.1
26L94.6Very high95.5Very high94 Ų9444 Ų4449%0.49227%0.273SS..EExtended strand (participates in β ladder)trans-72.9130.2173.6-66.1173.5000110.3V18 Q20 W92V18-L26 HydrophobicContact CG1-CB 3.69Å; V18-L26 HydrophobicContact CG1-CD2 3.81Å; V18-L26 HydrophobicContact CG1-CG 4.23Å; Q20-L26 HydrophobicContact CB-CD2 3.9Å; Q20-L26 HydrophobicContact CG-CD2 3.98Å; L26-W92 HydrophobicContact CD1-CH2 3.76Å; L26-W92 HydrophobicContact CD1-CZ2 4.28Å; L26-W92 HydrophobicContact CD1-CZ3 4.41Å
27E95.8Very high95.5Very high35 Ų3545.7 Ų45.716%0.16429%0.29CS..EExtended strand (participates in β ladder)trans-110.6114.9174.7-69.4-173.2-100.100109.9V18 K19 R21 I29 F45V18-E27 CarbonylContact C-O 3.45Å; V18-E27 WeakPolarHBondContact CA-O 3.46Å; V18-E27 WeakPolarHBondContact CG1-O 3.32Å; K19-E27 HydrophobicContact CB-CB 4.39Å; K19-E27 PolarHBondContact N-O 3.09Å; K19-E27 PolarHBondContact O-N 3.2Å; R21-E27 IonicContact CZ-OE1 3.47Å; R21-E27 IonicContact NH1-OE1 3.99Å; R21-E27 PolarHBondContact NH1-OE1 3Å; R21-E27 IonicContact NH2-OE1 2.98Å; E27-I29 PolarHBondContact O-N 3.19Å; E27-F45 HydrophobicContact CB-CE2 4.49Å; E27-F45 HydrophobicContact CB-CZ 4.49Å
28W95.6Very high95.4Very high81 Ų8148.2 Ų48.231%0.30731%0.309SS..EExtended strand (participates in β ladder)trans-68.1129.3174.3178.678000110.7G30 D31 N40 Y41 N42W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; W28-D31 WeakPolarHBondContact CZ2-OD2 2.99Å; W28-N40 HydrophobicContact CH2-CB 3.97Å; W28-N40 HydrophobicContact CZ2-CB 4.11Å; W28-Y41 VanDerWaalsContact CH2-C 3.46Å; W28-Y41 VanDerWaalsContact CZ3-C 3.4Å; W28-N42 HydrophobicContact CE3-CB 3.61Å; W28-N42 HydrophobicContact CZ3-CB 3.73Å; W28-N42 VanDerWaalsContact O-CB 3.26Å; W28-N42 WeakPolarHBondContact O-CB 3.36Å; W28-N42 PolarHBondContact O-ND2 2.92Å
29I97.1Very high95.4Very high0 Ų050.7 Ų50.70%032%0.324CS..EExtended strand (participates in β ladder)trans-96.2-46.5-179.2-57.9176000110.3W17 K19 E27 N42 F45 A49 M62 Y75W17-I29 HydrophobicContact CB-CB 4.2Å; W17-I29 HydrophobicContact CB-CD1 4.32Å; W17-I29 WeakPolarHBondContact O-CB 3.48Å; W17-I29 PolarHBondContact O-N 3.25Å; K19-I29 HydrophobicContact CB-CD1 3.94Å; K19-I29 HydrophobicContact CB-CG1 4.13Å; E27-I29 PolarHBondContact O-N 3.19Å; I29-N42 WeakPolarHBondContact O-CB 3.37Å; I29-N42 PolarHBondContact O-N 2.99Å; I29-F45 HydrophobicContact CB-CD2 4.38Å; I29-F45 HydrophobicContact CB-CG 4.3Å; I29-F45 HydrophobicContact CG1-CD1 4.33Å; I29-F45 HydrophobicContact CG1-CD2 4.34Å; I29-F45 HydrophobicContact CG1-CE1 4.37Å; I29-F45 HydrophobicContact CG1-CE2 4.35Å; I29-F45 HydrophobicContact CG1-CG 4.32Å; I29-F45 HydrophobicContact CG1-CZ 4.37Å; I29-F45 HydrophobicContact CG2-CB 3.65Å; I29-F45 HydrophobicContact CG2-CD1 4.18Å; I29-F45 HydrophobicContact CG2-CD2 4.36Å; I29-F45 HydrophobicContact CG2-CG 3.82Å; I29-A49 HydrophobicContact CG2-CB 3.85Å; I29-M62 HydrophobicContact CB-SD 4.48Å; I29-M62 HydrophobicContact CD1-CE 3.6Å; I29-M62 HydrophobicContact CD1-SD 3.9Å; I29-M62 HydrophobicContact CG2-SD 3.75Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.81Å
30G96.3Very high95.4Very high0 Ų054.4 Ų54.40%034%0.343CS..EExtended strand (participates in β ladder)trans167.8173.6-171.800000111.4W17 W28 N40W17-G30 PolarHBondContact N-O 3.17Å; W28-G30 VanDerWaalsContact CZ2-CA 3.42Å; G30-N40 CarbonylContact C-O 3.6Å; G30-N40 WeakPolarHBondContact CA-O 3.43Å
31D95.9Very high95.4Very high20 Ų2054 Ų5411%0.10734%0.34CS..EExtended strand (participates in β ladder)trans-141.9159.3173.354.747.7000111.7W14 I15 W28 T39 N40 L51W14-D31 HydrophobicContact CE3-CB 3.96Å; W14-D31 WeakPolarHBondContact CZ3-OD1 3.41Å; I15-D31 CarbonylContact O-C 3.57Å; I15-D31 WeakPolarHBondContact O-CA 3.26Å; I15-D31 WeakPolarHBondContact O-CB 3.46Å; W28-D31 WeakPolarHBondContact CZ2-OD2 2.99Å; D31-T39 CarbonylContact O-C 3.6Å; D31-T39 VanDerWaalsContact O-CA 3.25Å; D31-T39 WeakPolarHBondContact O-CA 3.41Å; D31-N40 PolarHBondContact N-O 2.91Å; D31-N40 PolarHBondContact O-N 3.47Å; D31-N40 VanDerWaalsContact OD1-CB 3.3Å; D31-N40 WeakPolarHBondContact OD1-CB 3.12Å; D31-N40 PolarHBondContact OD1-ND2 2.87Å; D31-L51 WeakPolarHBondContact O-CD1 3.03Å
32I96.9Very high95.4Very high3 Ų353.3 Ų53.32%0.01534%0.34CS..EExtended strand (participates in β ladder)trans-132.1135.1175.9-174.7163.8000109.6W14 I15 P34 S38 T39 L51 V53 A60W14-I32 VanDerWaalsContact CE3-C 3.4Å; I15-I32 HydrophobicContact CB-CG2 4.17Å; I15-I32 PolarHBondContact N-O 2.82Å; I15-I32 PolarHBondContact O-N 3.19Å; I32-P34 WeakPolarHBondContact O-CD 3.43Å; I32-S38 CarbonylContact C-O 3.5Å; I32-S38 WeakPolarHBondContact CA-O 3.2Å; I32-T39 HydrophobicContact CB-CG2 3.96Å; I32-T39 HydrophobicContact CD1-CG2 3.8Å; I32-T39 HydrophobicContact CG1-CG2 3.75Å; I32-L51 HydrophobicContact CB-CB 4.21Å; I32-L51 HydrophobicContact CB-CD1 4.48Å; I32-L51 HydrophobicContact CD1-CB 4.35Å; I32-V53 HydrophobicContact CD1-CB 3.95Å; I32-V53 HydrophobicContact CD1-CG1 3.89Å; I32-A60 HydrophobicContact CG2-CB 4.28Å
33Y96Very high95.6Very high65 Ų6554 Ų5426%0.25533%0.333SS..EExtended strand (participates in β ladder)trans-94.7107.3171.8-169.4-110.7000109.6T11 W14 G35 S36 G37 S38T11-Y33 PolarHBondContact O-OH 3.46Å; W14-Y33 AromaticContact CD1-CD2 3.68Å; W14-Y33 AromaticContact CD2-CD2 3.94Å; W14-Y33 HydrophobicContact CD2-CD2 3.94Å; W14-Y33 HydrophobicContact CD2-CG 4.24Å; W14-Y33 AromaticContact CE2-CD2 3.81Å; W14-Y33 VanDerWaalsContact CE3-N 3.27Å; W14-Y33 AromaticContact CG-CD2 3.87Å; W14-Y33 HydrophobicContact CG-CD2 3.87Å; W14-Y33 HydrophobicContact CZ2-CD2 4.48Å; W14-Y33 HydrophobicContact CZ2-CG 4.26Å; W14-Y33 AromaticContact NE1-CD2 3.61Å; Y33-G35 PolarHBondContact O-N 2.97Å; Y33-G35 VanDerWaalsContact O-N 3.14Å; Y33-S36 WeakPolarHBondContact CD1-OG 3.42Å; Y33-S36 PolarHBondContact O-N 3.3Å; Y33-G37 WeakPolarHBondContact O-CA 3.22Å; Y33-G37 PolarHBondContact O-N 2.87Å; Y33-S38 PolarHBondContact N-O 2.63Å
34P96Very high95.6Very high6 Ų656.4 Ų56.44%0.03932%0.317CS..THydrogen-bonded Turntrans-61-27.5-174.9-27.439.4000114.2F10 Y13 I15 I32 S36 V53 T55F10-P34 HydrophobicContact CD1-CB 3.81Å; F10-P34 HydrophobicContact CD1-CG 4.12Å; F10-P34 HydrophobicContact CD2-CG 4.19Å; F10-P34 HydrophobicContact CE1-CB 3.6Å; F10-P34 HydrophobicContact CE1-CG 3.75Å; F10-P34 HydrophobicContact CE2-CG 3.83Å; F10-P34 HydrophobicContact CG-CB 4.39Å; F10-P34 HydrophobicContact CG-CG 4.35Å; F10-P34 HydrophobicContact CZ-CB 3.99Å; F10-P34 HydrophobicContact CZ-CG 3.59Å; F10-P34 WeakPolarHBondContact O-CG 3.46Å; Y13-P34 WeakPolarHBondContact O-CD 3.38Å; I15-P34 HydrophobicContact CG1-CG 3.88Å; I32-P34 WeakPolarHBondContact O-CD 3.43Å; P34-S36 VanDerWaalsContact C-N 3.34Å; P34-S36 PolarHBondContact O-N 3.03Å; P34-V53 HydrophobicContact CB-CG2 3.7Å; P34-V53 HydrophobicContact CG-CG2 4.07Å; P34-T55 HydrophobicContact CB-CG2 4.47Å; P34-T55 WeakPolarHBondContact O-CG2 3.22Å
35G95Very high95.7Very high47 Ų4752 Ų5249%0.48530%0.296SS..THydrogen-bonded Turntrans-69.4-26.2-179.100000114.7T11 Y33T11-G35 WeakPolarHBondContact O-CA 3.2Å; T11-G35 PolarHBondContact O-N 3.35Å; Y33-G35 PolarHBondContact O-N 2.97Å; Y33-G35 VanDerWaalsContact O-N 3.14Å
36S95.4Very high95.7Very high76 Ų7654.7 Ų54.753%0.53129%0.292SS..THydrogen-bonded Turntrans-124.3-13.6179.965.80000113.9Y33 P34 S38Y33-S36 WeakPolarHBondContact CD1-OG 3.42Å; Y33-S36 PolarHBondContact O-N 3.3Å; P34-S36 VanDerWaalsContact C-N 3.34Å; P34-S36 PolarHBondContact O-N 3.03Å; S36-S38 PolarHBondContact O-N 2.96Å; S36-S38 VanDerWaalsContact OG-CB 3.27Å; S36-S38 WeakPolarHBondContact OG-CB 3.29Å; S36-S38 PolarHBondContact OG-N 2.93Å; S36-S38 VanDerWaalsContact OG-N 3.16Å; S36-S38 PolarHBondContact OG-OG 3.11Å
37G95.6Very high95.7Very high36 Ų3655 Ų5537%0.37130%0.302SS..THydrogen-bonded Turntrans72.37.5-169.100000114Y33Y33-G37 WeakPolarHBondContact O-CA 3.22Å; Y33-G37 PolarHBondContact O-N 2.87Å
38S96.3Very high95.7Very high58 Ų5855.5 Ų55.541%0.40630%0.304SS..EExtended strand (participates in β ladder)trans-61.9139.2176.7-61.30000110.6W14 I32 Y33 S36W14-S38 WeakPolarHBondContact CZ3-O 3.45Å; I32-S38 CarbonylContact C-O 3.5Å; I32-S38 WeakPolarHBondContact CA-O 3.2Å; Y33-S38 PolarHBondContact N-O 2.63Å; S36-S38 PolarHBondContact O-N 2.96Å; S36-S38 VanDerWaalsContact OG-CB 3.27Å; S36-S38 WeakPolarHBondContact OG-CB 3.29Å; S36-S38 PolarHBondContact OG-N 2.93Å; S36-S38 VanDerWaalsContact OG-N 3.16Å; S36-S38 PolarHBondContact OG-OG 3.11Å
39T97.1Very high95.8Very high54 Ų5451.8 Ų51.833%0.33129%0.29SS..EExtended strand (participates in β ladder)trans-128.6142.6-178.550.30000111.2D31 I32 Y41 L51D31-T39 CarbonylContact O-C 3.6Å; D31-T39 VanDerWaalsContact O-CA 3.25Å; D31-T39 WeakPolarHBondContact O-CA 3.41Å; I32-T39 HydrophobicContact CB-CG2 3.96Å; I32-T39 HydrophobicContact CD1-CG2 3.8Å; I32-T39 HydrophobicContact CG1-CG2 3.75Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.18Å; T39-L51 HydrophobicContact CG2-CB 4.02Å
40N96.3Very high95.8Very high78 Ų7855 Ų5542%0.41731%0.31SS..EExtended strand (participates in β ladder)trans-119.7150.1165.5-54.9-64.6000109.5W14 W28 G30 D31W14-N40 WeakPolarHBondContact CH2-ND2 3.5Å; W14-N40 WeakPolarHBondContact CZ3-ND2 3.37Å; W28-N40 HydrophobicContact CH2-CB 3.97Å; W28-N40 HydrophobicContact CZ2-CB 4.11Å; G30-N40 CarbonylContact C-O 3.6Å; G30-N40 WeakPolarHBondContact CA-O 3.43Å; D31-N40 PolarHBondContact N-O 2.91Å; D31-N40 PolarHBondContact O-N 3.47Å; D31-N40 VanDerWaalsContact OD1-CB 3.3Å; D31-N40 WeakPolarHBondContact OD1-CB 3.12Å; D31-N40 PolarHBondContact OD1-ND2 2.87Å
41Y96.7Very high95.9Very high56 Ų5655.4 Ų55.422%0.2231%0.312CS..EExtended strand (participates in β ladder)trans-132.9147.1-179.4-68.2-87.8000110.9W28 T39 K46 A49 L51W28-Y41 VanDerWaalsContact CH2-C 3.46Å; W28-Y41 VanDerWaalsContact CZ3-C 3.4Å; T39-Y41 WeakPolarHBondContact OG1-CE2 3.18Å; Y41-K46 HydrophobicContact CG-CB 4.47Å; Y41-K46 HydrophobicContact CG-CG 4.25Å; Y41-A49 HydrophobicContact CE1-CB 4.42Å; Y41-A49 VanDerWaalsContact CE1-O 3.24Å; Y41-A49 WeakPolarHBondContact CE1-O 3.41Å; Y41-L51 HydrophobicContact CE1-CD1 4.08Å; Y41-L51 HydrophobicContact CE1-CG 3.73Å; Y41-L51 PolarHBondContact OH-N 2.03Å
42N95.7Very high96Very high42 Ų4257.9 Ų57.923%0.22533%0.328CS..  trans-74.1130.8156.6-176.4-27.4000108.2W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.61Å; W28-N42 HydrophobicContact CZ3-CB 3.73Å; W28-N42 VanDerWaalsContact O-CB 3.26Å; W28-N42 WeakPolarHBondContact O-CB 3.36Å; W28-N42 PolarHBondContact O-ND2 2.92Å; I29-N42 WeakPolarHBondContact O-CB 3.37Å; I29-N42 PolarHBondContact O-N 2.99Å; N42-K44 PolarHBondContact O-N 2.71Å; N42-K44 PolarHBondContact OD1-N 3.08Å; N42-K44 VanDerWaalsContact OD1-N 3.08Å; N42-F45 HydrophobicContact CB-CD2 3.96Å; N42-F45 PolarHBondContact O-N 3.07Å; N42-K46 PolarHBondContact O-N 3.47Å; N42-K46 VanDerWaalsContact O-N 3.1Å
43E95.4Very high96.1Very high133 Ų13359.8 Ų59.862%0.62134%0.339SS*.THydrogen-bonded Turntrans-55.2-29.4-178.3-68.9-61.4150.100112.8F45 K46E43-F45 PolarHBondContact O-N 3.05Å; E43-K46 IonicContact OE1-NZ 2.71Å; E43-K46 PolarHBondContact OE1-NZ 3.1Å; E43-K46 VanDerWaalsContact OE2-CD 3.28Å; E43-K46 WeakPolarHBondContact OE2-CD 3.07Å; E43-K46 IonicContact OE2-NZ 2.99Å; E43-K46 PolarHBondContact OE2-NZ 2.87Å
44K92.9Very high96.1Very high146 Ų14659.2 Ų59.264%0.63534%0.341SS*.THydrogen-bonded Turntrans-62.1-27.4174.7-67.9-175.6-179.5-179.50114.2N42N42-K44 PolarHBondContact O-N 2.71Å; N42-K44 PolarHBondContact OD1-N 3.08Å; N42-K44 VanDerWaalsContact OD1-N 3.08Å
45F94.9Very high96.2Very high8 Ų862.5 Ų62.54%0.03536%0.361CS..THydrogen-bonded Turntrans-113.6-10.2-172.2-64.5-82.1000113.4K19 E27 I29 N42 E43 S47 K48 A49K19-F45 HydrophobicContact CD-CE1 3.91Å; K19-F45 HydrophobicContact CD-CZ 3.99Å; E27-F45 HydrophobicContact CB-CE2 4.49Å; E27-F45 HydrophobicContact CB-CZ 4.49Å; I29-F45 HydrophobicContact CB-CD2 4.38Å; I29-F45 HydrophobicContact CB-CG 4.3Å; I29-F45 HydrophobicContact CG1-CD1 4.33Å; I29-F45 HydrophobicContact CG1-CD2 4.34Å; I29-F45 HydrophobicContact CG1-CE1 4.37Å; I29-F45 HydrophobicContact CG1-CE2 4.35Å; I29-F45 HydrophobicContact CG1-CG 4.32Å; I29-F45 HydrophobicContact CG1-CZ 4.37Å; I29-F45 HydrophobicContact CG2-CB 3.65Å; I29-F45 HydrophobicContact CG2-CD1 4.18Å; I29-F45 HydrophobicContact CG2-CD2 4.36Å; I29-F45 HydrophobicContact CG2-CG 3.82Å; N42-F45 HydrophobicContact CB-CD2 3.96Å; N42-F45 PolarHBondContact O-N 3.07Å; E43-F45 PolarHBondContact O-N 3.05Å; F45-S47 PolarHBondContact O-N 3.26Å; F45-S47 VanDerWaalsContact O-N 3.11Å; F45-K48 CarbonylContact O-C 3.57Å; F45-K48 PolarHBondContact O-N 3.12Å; F45-A49 HydrophobicContact CB-CB 4.42Å; F45-A49 WeakPolarHBondContact O-CB 3.3Å; F45-A49 PolarHBondContact O-N 2.81Å
46K93.9Very high96.2Very high111 Ų11165.3 Ų65.348%0.48337%0.373SS..THydrogen-bonded Turntrans-55.9-30.1-176.2-167.2175.7-172175.80114.4Y41 N42 E43Y41-K46 HydrophobicContact CG-CB 4.47Å; Y41-K46 HydrophobicContact CG-CG 4.25Å; N42-K46 PolarHBondContact O-N 3.47Å; N42-K46 VanDerWaalsContact O-N 3.1Å; E43-K46 IonicContact OE1-NZ 2.71Å; E43-K46 PolarHBondContact OE1-NZ 3.1Å; E43-K46 VanDerWaalsContact OE2-CD 3.28Å; E43-K46 WeakPolarHBondContact OE2-CD 3.07Å; E43-K46 IonicContact OE2-NZ 2.99Å; E43-K46 PolarHBondContact OE2-NZ 2.87Å
47S94.8Very high96.3Very high99 Ų9963.4 Ų63.469%0.69236%0.36SS*.THydrogen-bonded Turntrans-88.3-14.1175.859.10000114.3F45F45-S47 PolarHBondContact O-N 3.26Å; F45-S47 VanDerWaalsContact O-N 3.11Å
48K95.4Very high96.3Very high47 Ų4763.6 Ų63.620%0.20436%0.356CS..THydrogen-bonded Turntrans-108-24.6-175.1-65.8-172.7175.2-1720113.3F45 L64 S65 D71F45-K48 CarbonylContact O-C 3.57Å; F45-K48 PolarHBondContact O-N 3.12Å; K48-L64 CarbonylContact O-C 3.45Å; K48-L64 VanDerWaalsContact O-CA 3.26Å; K48-L64 WeakPolarHBondContact O-CA 3.35Å; K48-S65 PolarHBondContact O-N 2.98Å; K48-S65 PolarHBondContact O-OG 3.46Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 2.84Å; K48-D71 IonicContact NZ-OD2 3.42Å; K48-D71 PolarHBondContact NZ-OD2 2.88Å
49A97.4Very high96.4Very high3 Ų361.3 Ų61.33%0.02534%0.339CS..EExtended strand (participates in β ladder)trans-116.5133.5-173.100000111.2I29 Y41 F45 M62 Q63 L64I29-A49 HydrophobicContact CG2-CB 3.85Å; Y41-A49 HydrophobicContact CE1-CB 4.42Å; Y41-A49 VanDerWaalsContact CE1-O 3.24Å; Y41-A49 WeakPolarHBondContact CE1-O 3.41Å; F45-A49 HydrophobicContact CB-CB 4.42Å; F45-A49 WeakPolarHBondContact O-CB 3.3Å; F45-A49 PolarHBondContact O-N 2.81Å; A49-M62 HydrophobicContact CB-CG 4.35Å; A49-M62 HydrophobicContact CB-SD 4.09Å; A49-Q63 CarbonylContact C-O 3.49Å; A49-Q63 WeakPolarHBondContact CA-O 2.96Å; A49-L64 HydrophobicContact CB-CD2 3.98Å
50T98.2Very high96.4Very high66 Ų6658.7 Ų58.741%0.40532%0.323SS..EExtended strand (participates in β ladder)trans-118.9122.7168.8-57.10000108.6T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.22Å; T50-M62 CarbonylContact O-C 3.58Å; T50-M62 WeakPolarHBondContact O-CA 3.32Å; T50-Q63 PolarHBondContact N-O 2.77Å; T50-Q63 PolarHBondContact O-N 2.82Å
51L98.4Very high96.5Very high9 Ų958.8 Ų58.85%0.04732%0.318CS..EExtended strand (participates in β ladder)trans-99.8130.4178.2-53.1-175.1000110.5W17 D31 I32 T39 Y41 Y61 M62W17-L51 VanDerWaalsContact CD1-CD2 3.49Å; W17-L51 HydrophobicContact CG-CD2 4.15Å; D31-L51 WeakPolarHBondContact O-CD1 3.03Å; I32-L51 HydrophobicContact CB-CB 4.21Å; I32-L51 HydrophobicContact CB-CD1 4.48Å; I32-L51 HydrophobicContact CD1-CB 4.35Å; T39-L51 HydrophobicContact CG2-CB 4.02Å; Y41-L51 HydrophobicContact CE1-CD1 4.08Å; Y41-L51 HydrophobicContact CE1-CG 3.73Å; Y41-L51 PolarHBondContact OH-N 2.03Å; L51-Y61 WeakPolarHBondContact CA-O 3.41Å; L51-M62 HydrophobicContact CD2-CB 3.66Å; L51-M62 HydrophobicContact CD2-CG 3.58Å; L51-M62 HydrophobicContact CD2-SD 3.86Å
52T98.3Very high96.6Very high73 Ų7356.2 Ų56.245%0.44831%0.308SS..EExtended strand (participates in β ladder)trans-138.3169.9176.465.20000111T50 Y61T50-T52 HydrophobicContact CG2-CG2 4.22Å; T52-Y61 PolarHBondContact N-O 3.42Å; T52-Y61 PolarHBondContact O-N 3.11Å
53V97.8Very high96.7Very high42 Ų4260.5 Ų60.526%0.25533%0.327SS..EExtended strand (participates in β ladder)trans-146.9142.7-176.7640000111.4F10 I32 P34 T55F10-V53 HydrophobicContact CE1-CG2 3.31Å; F10-V53 HydrophobicContact CZ-CG2 3.58Å; I32-V53 HydrophobicContact CD1-CB 3.95Å; I32-V53 HydrophobicContact CD1-CG1 3.89Å; P34-V53 HydrophobicContact CB-CG2 3.7Å; P34-V53 HydrophobicContact CG-CG2 4.07Å; V53-T55 HydrophobicContact CG2-CG2 4.37Å
54D97.6Very high96.8Very high53 Ų5355.8 Ų55.828%0.28331%0.306SS..EExtended strand (participates in β ladder)trans-117.7105167.3174.310.3000108.4S56 S57 S58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 WeakPolarHBondContact OD1-CB 3.28Å; D54-S56 PolarHBondContact OD1-N 2.78Å; D54-S56 PolarHBondContact OD1-OG 2.83Å; D54-S56 PolarHBondContact OD2-OG 2.81Å; D54-S57 PolarHBondContact OD1-N 2.79Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.25Å; D54-S57 PolarHBondContact OD2-OG 3.08Å; D54-S58 PolarHBondContact O-N 3.1Å; D54-S58 VanDerWaalsContact O-N 3.1Å; D54-T59 PolarHBondContact N-O 2.88Å; D54-T59 PolarHBondContact O-N 3.18Å; D54-Y61 HydrophobicContact CB-CE2 3.86Å
55T96.2Very high96.9Very high75 Ų7551.2 Ų51.246%0.4629%0.292SS..THydrogen-bonded Turntrans-72-25.2-178.953.60000112.2T11 P34 V53 S58T11-T55 HydrophobicContact CG2-CG2 3.94Å; P34-T55 HydrophobicContact CB-CG2 4.47Å; P34-T55 WeakPolarHBondContact O-CG2 3.22Å; V53-T55 HydrophobicContact CG2-CG2 4.37Å; T55-S58 PolarHBondContact O-N 2.94Å
56S95.7Very high96.7Very high106 Ų10655.7 Ų55.774%0.74133%0.325SS*.THydrogen-bonded Turntrans-68.6-37.5179.375.80000112D54D54-S56 VanDerWaalsContact C-N 3.29Å; D54-S56 PolarHBondContact O-N 2.95Å; D54-S56 WeakPolarHBondContact OD1-CB 3.28Å; D54-S56 PolarHBondContact OD1-N 2.78Å; D54-S56 PolarHBondContact OD1-OG 2.83Å; D54-S56 PolarHBondContact OD2-OG 2.81Å
57S96.9Very high96.7Very high37 Ų3753.1 Ų53.126%0.25932%0.316SS..THydrogen-bonded Turntrans-96.30176.268.10000113.8D54 T59D54-S57 PolarHBondContact OD1-N 2.79Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.25Å; D54-S57 PolarHBondContact OD2-OG 3.08Å; S57-T59 VanDerWaalsContact C-N 3.27Å; S57-T59 PolarHBondContact O-N 2.8Å; S57-T59 PolarHBondContact O-OG1 2.82Å; S57-T59 WeakPolarHBondContact OG-CB 2.97Å; S57-T59 PolarHBondContact OG-OG1 2.87Å; S57-T59 VanDerWaalsContact OG-OG1 3.13Å
58S96.9Very high96.6Very high40 Ų4051.3 Ų51.328%0.2830%0.301SS..THydrogen-bonded Turntrans52.643.7-173.1-62.20000113.1A5 F10 D54 T55A5-S58 PolarHBondContact N-O 2.83Å; F10-S58 VanDerWaalsContact CD1-CA 3.45Å; D54-S58 PolarHBondContact O-N 3.1Å; D54-S58 VanDerWaalsContact O-N 3.1Å; T55-S58 PolarHBondContact O-N 2.94Å
59T98Very high96.5Very high9 Ų952.4 Ų52.46%0.05531%0.314CS..EExtended strand (participates in β ladder)trans-123.2126.6-174.9-52.20000111C3 K4 D54 S57 Y61C3-T59 WeakPolarHBondContact O-CA 3.45Å; K4-T59 HydrophobicContact CB-CG2 4.46Å; D54-T59 PolarHBondContact N-O 2.88Å; D54-T59 PolarHBondContact O-N 3.18Å; S57-T59 VanDerWaalsContact C-N 3.27Å; S57-T59 PolarHBondContact O-N 2.8Å; S57-T59 PolarHBondContact O-OG1 2.82Å; S57-T59 WeakPolarHBondContact OG-CB 2.97Å; S57-T59 PolarHBondContact OG-OG1 2.87Å; S57-T59 VanDerWaalsContact OG-OG1 3.13Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.35Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.34Å; T59-Y61 WeakPolarHBondContact O-CE2 3.44Å
60A97.9Very high96.2Very high0 Ų058.8 Ų58.80%034%0.344CS..EExtended strand (participates in β ladder)trans-94.9149168.200000109.8S2 C3 F10 I15 W17 I32S2-A60 CarbonylContact C-O 3.55Å; S2-A60 WeakPolarHBondContact CA-O 3.46Å; C3-A60 PolarHBondContact N-O 3Å; C3-A60 PolarHBondContact O-N 3.24Å; F10-A60 HydrophobicContact CE2-CB 4.37Å; F10-A60 HydrophobicContact CZ-CB 3.96Å; I15-A60 HydrophobicContact CB-CB 4.04Å; I15-A60 HydrophobicContact CG1-CB 4.1Å; I15-A60 HydrophobicContact CG2-CB 3.82Å; W17-A60 HydrophobicContact CZ2-CB 4.46Å; I32-A60 HydrophobicContact CG2-CB 4.28Å
61Y98.4Very high95.9Very high79 Ų7955.9 Ų55.931%0.3133%0.326SS..EExtended strand (participates in β ladder)trans-129.7146.3-179.5-56.4-91.9000110.8M1 S2 L51 T52 D54 T59M1-Y61 VanDerWaalsContact O-CA 3.26Å; M1-Y61 WeakPolarHBondContact O-CA 3.49Å; S2-Y61 VanDerWaalsContact CB-CE1 3.47Å; L51-Y61 WeakPolarHBondContact CA-O 3.41Å; T52-Y61 PolarHBondContact N-O 3.42Å; T52-Y61 PolarHBondContact O-N 3.11Å; D54-Y61 HydrophobicContact CB-CE2 3.86Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.35Å; T59-Y61 HydrophobicContact CG2-CE1 3.69Å; T59-Y61 HydrophobicContact CG2-CE2 3.73Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.34Å; T59-Y61 WeakPolarHBondContact O-CE2 3.44Å
62M98.2Very high95.8Very high2 Ų257 Ų571%0.0133%0.334CS..EExtended strand (participates in β ladder)trans-123.3123.9164.3177.917074.600108.7M1 W17 I29 A49 T50 L51 L64 Y75M1-M62 HydrophobicContact CE-CE 3.35Å; M1-M62 HydrophobicContact CG-CB 3.74Å; M1-M62 HydrophobicContact CG-CE 4.21Å; M1-M62 VanDerWaalsContact CG-O 3.32Å; M1-M62 WeakPolarHBondContact CG-O 3.29Å; M1-M62 PolarHBondContact N-O 3.47Å; M1-M62 PolarHBondContact O-N 2.84Å; M1-M62 HydrophobicContact SD-CB 4.22Å; M1-M62 HydrophobicContact SD-CE 3.2Å; M1-M62 WeakPolarHBondContact SD-CE 3.26Å; W17-M62 HydrophobicContact CB-CE 4.29Å; W17-M62 HydrophobicContact CB-SD 3.86Å; W17-M62 HydrophobicContact CD2-CB 3.74Å; W17-M62 HydrophobicContact CD2-CE 4.32Å; W17-M62 HydrophobicContact CD2-SD 4.26Å; W17-M62 HydrophobicContact CE3-CB 4.13Å; W17-M62 HydrophobicContact CE3-CE 4.06Å; W17-M62 HydrophobicContact CG-CB 4.15Å; W17-M62 HydrophobicContact CG-CE 4.46Å; W17-M62 HydrophobicContact CG-SD 3.96Å; W17-M62 HydrophobicContact CH2-CB 4.33Å; W17-M62 HydrophobicContact CZ2-CB 3.96Å; W17-M62 HydrophobicContact CZ3-CB 4.42Å; I29-M62 HydrophobicContact CB-SD 4.48Å; I29-M62 HydrophobicContact CD1-CE 3.6Å; I29-M62 HydrophobicContact CD1-SD 3.9Å; I29-M62 HydrophobicContact CG2-SD 3.75Å; A49-M62 HydrophobicContact CB-CG 4.35Å; A49-M62 HydrophobicContact CB-SD 4.09Å; T50-M62 CarbonylContact O-C 3.58Å; T50-M62 WeakPolarHBondContact O-CA 3.32Å; L51-M62 HydrophobicContact CD2-CB 3.66Å; L51-M62 HydrophobicContact CD2-CG 3.58Å; L51-M62 HydrophobicContact CD2-SD 3.86Å; M62-L64 HydrophobicContact CE-CD1 4.1Å; M62-L64 HydrophobicContact CE-CD2 3.99Å; M62-L64 HydrophobicContact CE-CG 4.08Å; M62-L64 HydrophobicContact CG-CD2 4.29Å; M62-L64 HydrophobicContact CG-CG 4.4Å; M62-L64 HydrophobicContact SD-CD2 4.07Å; M62-Y75 HydrophobicContact CE-CD1 3.7Å; M62-Y75 HydrophobicContact CE-CE1 4.26Å
63Q98Very high95.8Very high133 Ų13353.9 Ų53.962%0.62132%0.315SS*.EExtended strand (participates in β ladder)trans-97.8131.9168.1-172.9175.917.200108.4A49 T50A49-Q63 CarbonylContact C-O 3.49Å; A49-Q63 WeakPolarHBondContact CA-O 2.96Å; T50-Q63 PolarHBondContact N-O 2.77Å; T50-Q63 PolarHBondContact O-N 2.82Å
64L96.3Very high95.8Very high34 Ų3453.9 Ų53.918%0.17832%0.315CS..EExtended strand (participates in β ladder)trans-108.8137.8173.8-68.3172.7000109.5M1 K48 A49 M62 L67 Y75M1-L64 HydrophobicContact CE-CD1 3.5Å; M1-L64 VanDerWaalsContact CE-CD1 3.5Å; M1-L64 HydrophobicContact CE-CG 4.16Å; K48-L64 CarbonylContact O-C 3.45Å; K48-L64 VanDerWaalsContact O-CA 3.26Å; K48-L64 WeakPolarHBondContact O-CA 3.35Å; A49-L64 HydrophobicContact CB-CD2 3.98Å; M62-L64 HydrophobicContact CE-CD1 4.1Å; M62-L64 HydrophobicContact CE-CD2 3.99Å; M62-L64 HydrophobicContact CE-CG 4.08Å; M62-L64 HydrophobicContact CG-CD2 4.29Å; M62-L64 HydrophobicContact CG-CG 4.4Å; M62-L64 HydrophobicContact SD-CD2 4.07Å; L64-L67 HydrophobicContact CB-CD1 3.99Å; L64-L67 HydrophobicContact CB-CD2 3.84Å; L64-L67 HydrophobicContact CB-CG 4.13Å; L64-L67 HydrophobicContact CD1-CD1 4.4Å; L64-L67 HydrophobicContact CD1-CD2 4.29Å; L64-L67 HydrophobicContact CG-CD2 4.45Å; L64-Y75 HydrophobicContact CD1-CD1 4.13Å; L64-Y75 HydrophobicContact CD1-CE1 3.63Å; L64-Y75 HydrophobicContact CD1-CE2 4.39Å
65S95.1Very high95.8Very high50 Ų5051.5 Ų51.535%0.3530%0.303SS..  trans-132.3161.1178.161.80000110.7K48 L67K48-S65 PolarHBondContact O-N 2.98Å; K48-S65 PolarHBondContact O-OG 3.46Å; S65-L67 PolarHBondContact O-N 2.96Å
66S92.1Very high95.9Very high102 Ų10250.1 Ų50.171%0.71329%0.289SS*.SBendtrans52.541.3176.3-550000113.5
67L92.6Very high95.9Very high56 Ų5645.8 Ų45.829%0.29326%0.259SS..  trans-72.5142.2-177.7-65.5-176.3000111.6L64 S65 D71 V98 V100L64-L67 HydrophobicContact CB-CD1 3.99Å; L64-L67 HydrophobicContact CB-CD2 3.84Å; L64-L67 HydrophobicContact CB-CG 4.13Å; L64-L67 HydrophobicContact CD1-CD1 4.4Å; L64-L67 HydrophobicContact CD1-CD2 4.29Å; L64-L67 HydrophobicContact CG-CD2 4.45Å; S65-L67 PolarHBondContact O-N 2.96Å; L67-D71 HydrophobicContact CB-CB 4.31Å; L67-D71 HydrophobicContact CD2-CB 3.73Å; L67-V98 HydrophobicContact CD1-CG1 4.37Å; L67-V100 HydrophobicContact CB-CG1 4.26Å; L67-V100 HydrophobicContact CB-CG2 3.95Å; L67-V100 HydrophobicContact CD1-CG2 3.98Å
68T93.3Very high95.8Very high62 Ų6244.2 Ų44.238%0.3825%0.248SC..  trans-113.6173.6170.966.80000110.6E70 D71 V100T68-E70 PolarHBondContact O-N 2.92Å; T68-D71 PolarHBondContact N-OD2 3.4Å; T68-D71 WeakPolarHBondContact O-CA 3.35Å; T68-D71 WeakPolarHBondContact O-CB 3.33Å; T68-D71 PolarHBondContact O-N 3.02Å; T68-V100 WeakPolarHBondContact O-CB 3.43Å; T68-V100 WeakPolarHBondContact O-CG1 3.43Å
69S92.9Very high95.6Very high70 Ų7043.9 Ų43.949%0.4924%0.241SC..G310 helixtrans-57-30.8176.352.50000113.2D71 S72 V100S69-D71 PolarHBondContact O-N 2.74Å; S69-S72 VanDerWaalsContact O-CB 3.31Å; S69-S72 WeakPolarHBondContact O-CB 3.26Å; S69-S72 PolarHBondContact O-N 2.86Å; S69-S72 VanDerWaalsContact O-N 3.09Å; S69-S72 PolarHBondContact O-OG 2.87Å; S69-V100 WeakPolarHBondContact CA-O 3.45Å
70E90.6Very high94.8Very high137 Ų13747.1 Ų47.164%0.6425%0.252SS*.G310 helixtrans-66.7-11.7173.7-58.1-178.4170.500113.9K19 R21 T68 S72K19-E70 PolarHBondContact NZ-O 2.95Å; R21-E70 PolarHBondContact NE-O 2.81Å; R21-E70 PolarHBondContact NH2-O 2.89Å; T68-E70 PolarHBondContact O-N 2.92Å; E70-S72 VanDerWaalsContact C-N 3.33Å
71D93.8Very high93.3Very high5 Ų547.3 Ų47.33%0.02725%0.254CS..G310 helixtrans-86.6-3.9173.5-64.1-47.8000114.2K19 K48 L67 T68 S69 A73 Y75K19-D71 IonicContact NZ-OD1 3.46Å; K19-D71 PolarHBondContact NZ-OD1 2.64Å; K48-D71 IonicContact NZ-OD1 2.84Å; K48-D71 PolarHBondContact NZ-OD1 2.84Å; K48-D71 IonicContact NZ-OD2 3.42Å; K48-D71 PolarHBondContact NZ-OD2 2.88Å; L67-D71 HydrophobicContact CB-CB 4.31Å; L67-D71 HydrophobicContact CD2-CB 3.73Å; T68-D71 PolarHBondContact N-OD2 3.4Å; T68-D71 WeakPolarHBondContact O-CA 3.35Å; T68-D71 WeakPolarHBondContact O-CB 3.33Å; T68-D71 PolarHBondContact O-N 3.02Å; S69-D71 PolarHBondContact O-N 2.74Å; D71-A73 PolarHBondContact O-N 2.97Å; D71-Y75 WeakPolarHBondContact O-CE2 3.49Å; D71-Y75 PolarHBondContact O-OH 3.15Å
72S96Very high91.3Very high33 Ų3346.5 Ų46.523%0.23127%0.27CS..  trans-64119.7172.7-56.30000111.1S69 E70 V98 V100S69-S72 VanDerWaalsContact O-CB 3.31Å; S69-S72 WeakPolarHBondContact O-CB 3.26Å; S69-S72 PolarHBondContact O-N 2.86Å; S69-S72 VanDerWaalsContact O-N 3.09Å; S69-S72 PolarHBondContact O-OG 2.87Å; E70-S72 VanDerWaalsContact C-N 3.33Å; S72-V98 CarbonylContact C-O 3.58Å; S72-V98 VanDerWaalsContact CA-O 3.24Å; S72-V98 WeakPolarHBondContact CA-O 3.36Å; S72-V100 PolarHBondContact OG-N 3.49Å; S72-V100 PolarHBondContact OG-O 2.84Å
73A97.3Very high89.2Confident6 Ų650.2 Ų50.25%0.0529%0.29CS..EExtended strand (participates in β ladder)trans-169.6172.1-17200000111.3K19 Q20 R21 D71 Y75 V98K19-A73 HydrophobicContact CD-CB 4.06Å; K19-A73 HydrophobicContact CG-CB 3.4Å; K19-A73 VanDerWaalsContact CG-CB 3.4Å; Q20-A73 WeakPolarHBondContact O-CA 3.46Å; Q20-A73 VanDerWaalsContact O-CB 3.29Å; Q20-A73 WeakPolarHBondContact O-CB 3.36Å; R21-A73 HydrophobicContact CG-CB 4.25Å; D71-A73 PolarHBondContact O-N 2.97Å; A73-Y75 HydrophobicContact CB-CD2 4.3Å; A73-Y75 HydrophobicContact CB-CE2 3.77Å; A73-V98 PolarHBondContact N-O 3.02Å; A73-V98 PolarHBondContact O-N 2.96Å
74V98.1Very high87Confident42 Ų4248.2 Ų48.226%0.25529%0.288SS..EExtended strand (participates in β ladder)trans-91131.5160.4-171.10000108.6Q20 Y76Q20-V74 PolarHBondContact N-O 2.88Å; Q20-V74 PolarHBondContact O-N 3.19Å; V74-Y76 HydrophobicContact CB-CE2 3.82Å; V74-Y76 HydrophobicContact CG1-CD1 4.44Å; V74-Y76 HydrophobicContact CG1-CD2 4.29Å; V74-Y76 HydrophobicContact CG1-CE1 3.77Å; V74-Y76 HydrophobicContact CG1-CE2 3.63Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.46Å
75Y98.1Very high85.1Confident4 Ų453.7 Ų53.72%0.01631%0.313CS..EExtended strand (participates in β ladder)trans-110127.2179.2-69.4-97.4000109.5M1 V18 K19 I29 M62 L64 D71 A73 G95 T96 V98M1-Y75 HydrophobicContact CE-CD1 3.93Å; M1-Y75 HydrophobicContact CE-CD2 4.34Å; M1-Y75 HydrophobicContact CE-CG 3.75Å; M1-Y75 HydrophobicContact SD-CD1 4.5Å; M1-Y75 HydrophobicContact SD-CG 4.32Å; V18-Y75 CarbonylContact O-C 3.58Å; V18-Y75 WeakPolarHBondContact O-CA 3.37Å; K19-Y75 HydrophobicContact CB-CD1 4.18Å; K19-Y75 HydrophobicContact CB-CE1 3.97Å; K19-Y75 HydrophobicContact CD-CE1 3.98Å; K19-Y75 WeakPolarHBondContact CE-OH 3.25Å; K19-Y75 HydrophobicContact CG-CD1 4.32Å; K19-Y75 HydrophobicContact CG-CE1 3.81Å; K19-Y75 HydrophobicContact CG-CE2 4.47Å; I29-Y75 HydrophobicContact CD1-CD1 3.67Å; I29-Y75 HydrophobicContact CD1-CE1 3.81Å; M62-Y75 HydrophobicContact CE-CD1 3.7Å; M62-Y75 HydrophobicContact CE-CE1 4.26Å; L64-Y75 HydrophobicContact CD1-CD1 4.13Å; L64-Y75 HydrophobicContact CD1-CE1 3.63Å; L64-Y75 HydrophobicContact CD1-CE2 4.39Å; D71-Y75 WeakPolarHBondContact O-CE2 3.49Å; D71-Y75 PolarHBondContact O-OH 3.15Å; A73-Y75 HydrophobicContact CB-CD2 4.3Å; A73-Y75 HydrophobicContact CB-CE2 3.77Å; Y75-G95 CarbonylContact O-C 3.48Å; Y75-G95 WeakPolarHBondContact O-CA 3.26Å; Y75-T96 PolarHBondContact N-O 3.13Å; Y75-T96 PolarHBondContact O-N 2.59Å; Y75-V98 HydrophobicContact CD2-CB 3.87Å; Y75-V98 HydrophobicContact CD2-CG2 3.65Å; Y75-V98 HydrophobicContact CE2-CB 3.73Å; Y75-V98 HydrophobicContact CE2-CG1 4.46Å; Y75-V98 HydrophobicContact CE2-CG2 3.96Å
76Y97.6Very high83.1Confident46 Ų4659.4 Ų59.418%0.1833%0.328CS..EExtended strand (participates in β ladder)trans-115.2148.5-179.2-55.2-90.2000110W17 V18 Q20 V74 W92W17-Y76 WeakPolarHBondContact CA-O 3.24Å; V18-Y76 PolarHBondContact N-O 2.94Å; V18-Y76 PolarHBondContact O-N 2.95Å; Q20-Y76 HydrophobicContact CB-CD2 4.43Å; Q20-Y76 HydrophobicContact CB-CE2 3.75Å; Q20-Y76 PolarHBondContact OE1-OH 3.02Å; V74-Y76 HydrophobicContact CB-CE2 3.82Å; V74-Y76 HydrophobicContact CG1-CD1 4.44Å; V74-Y76 HydrophobicContact CG1-CD2 4.29Å; V74-Y76 HydrophobicContact CG1-CE1 3.77Å; V74-Y76 HydrophobicContact CG1-CE2 3.63Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.46Å; Y76-W92 HydrophobicContact CG-CE3 4.17Å; Y76-W92 HydrophobicContact CG-CZ3 4.31Å
77C96.5Very high81.5Confident15 Ų1563 Ų6310%0.10133%0.327CS..EExtended strand (participates in β ladder)trans-103148.615764.10000109.3C3 I15 T16 W17 G93C3-C77 HydrophobicContact CB-CB 3.47Å; C3-C77 VanDerWaalsContact CB-CB 3.47Å; C3-C77 WeakPolarHBondContact CB-SG 3.41Å; C3-C77 WeakPolarHBondContact SG-CB 3.42Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.4Å; I15-C77 HydrophobicContact CG2-CB 4.33Å; T16-C77 CarbonylContact O-C 3.54Å; T16-C77 VanDerWaalsContact O-CA 3.22Å; T16-C77 WeakPolarHBondContact O-CA 3.43Å; W17-C77 HydrophobicContact CD2-CB 4.25Å; W17-C77 HydrophobicContact CE3-CB 3.92Å; W17-C77 HydrophobicContact CH2-CB 4.07Å; W17-C77 HydrophobicContact CZ2-CB 4.38Å; W17-C77 HydrophobicContact CZ3-CB 3.81Å; C77-G93 PolarHBondContact O-N 3.1Å
78A94.6Very high80.1Confident4 Ų462.4 Ų62.43%0.03333%0.33CS..EExtended strand (participates in β ladder)trans-138.8150174.100000110.6T16 M89 Y91 W92T16-A78 PolarHBondContact N-O 3.12Å; T16-A78 PolarHBondContact O-N 2.89Å; A78-M89 HydrophobicContact CB-CB 4.07Å; A78-M89 HydrophobicContact CB-CG 4.32Å; A78-M89 HydrophobicContact CB-SD 4.28Å; A78-Y91 CarbonylContact C-O 3.59Å; A78-Y91 WeakPolarHBondContact CA-O 3.38Å; A78-Y91 WeakPolarHBondContact CB-O 3.4Å; A78-W92 HydrophobicContact CB-CD2 3.73Å; A78-W92 HydrophobicContact CB-CE3 3.96Å; A78-W92 HydrophobicContact CB-CG 4.12Å; A78-W92 HydrophobicContact CB-CH2 4.43Å; A78-W92 HydrophobicContact CB-CZ2 4.26Å; A78-W92 HydrophobicContact CB-CZ3 4.3Å
79R91.6Very high79.2Confident33 Ų3361.9 Ų61.913%0.12532%0.324CS..EExtended strand (participates in β ladder)trans-87.2127.1170-171.2-166.578174.68.5108.7Y8 Y13 M89 D90 Y91Y8-R79 HydrophobicContact CE2-CG 4.17Å; Y13-R79 HydrophobicContact CD1-CG 4.26Å; Y13-R79 HydrophobicContact CG-CG 4.05Å; R79-M89 CarbonylContact O-C 3.58Å; R79-M89 WeakPolarHBondContact O-CA 3.47Å; R79-D90 IonicContact CZ-OD2 2.64Å; R79-D90 IonicContact NH2-OD2 3.88Å; R79-D90 PolarHBondContact NH2-OD2 3.25Å; R79-D90 PolarHBondContact O-N 3.23Å; R79-Y91 VanDerWaalsContact CZ-CE2 3.48Å; R79-Y91 PolarHBondContact N-O 2.74Å; R79-Y91 VanDerWaalsContact NH2-CE2 3.26Å
80W82.1Confident78.5Confident76 Ų7662.1 Ų62.129%0.28832%0.32SS..EExtended strand (participates in β ladder)trans-90124.3170.5-172.5-80.3000110.3W14 Y87 M89W14-W80 HydrophobicContact CB-CB 3.98Å; W14-W80 PolarHBondContact O-N 3.04Å; W80-Y87 AromaticContact CZ2-CD1 3.84Å; W80-Y87 HydrophobicContact CZ2-CD1 3.84Å; W80-Y87 HydrophobicContact CZ2-CG 4.27Å; W80-M89 HydrophobicContact CE3-CE 3.88Å; W80-M89 HydrophobicContact CE3-CG 3.74Å; W80-M89 HydrophobicContact CZ3-CE 3.6Å; W80-M89 HydrophobicContact CZ3-CG 4.07Å
81G66.3Low78.4Confident5 Ų562.6 Ų62.65%0.05232%0.316CS..PPolyproline II helixtrans-72.5127.517900000112.2N83 A88 D90G81-N83 PolarHBondContact O-N 2.8Å; G81-N83 VanDerWaalsContact O-N 3.1Å; G81-A88 PolarHBondContact N-O 2.8Å; G81-A88 VanDerWaalsContact N-O 3.17Å; G81-D90 WeakPolarHBondContact CA-OD2 3.35Å
82G55.5Low78.4Confident62 Ų6267.2 Ų67.264%0.63933%0.334SS*.  trans-7719.7-176.200000116.3P84G82-P84 WeakPolarHBondContact O-CD 3.36Å
83N54.4Low78.3Confident80 Ų8067 Ų6743%0.42834%0.337SS..  trans-84.8118.8176.6-166.9-30.6000109.4G81 H85 Y86G81-N83 PolarHBondContact O-N 2.8Å; G81-N83 VanDerWaalsContact O-N 3.1Å; N83-H85 PolarHBondContact O-N 2.82Å; N83-H85 PolarHBondContact OD1-N 3.38Å; N83-H85 VanDerWaalsContact OD1-N 3.08Å; N83-Y86 PolarHBondContact O-N 3.14Å; N83-Y86 VanDerWaalsContact O-N 3.11Å
84P52.9Low78.2Confident90 Ų9075.7 Ų75.758%0.58438%0.376SS*.THydrogen-bonded Turntrans-61.5-10.4-179.924-33.1000114G82G82-P84 WeakPolarHBondContact O-CD 3.36Å
85H55Low78.1Confident150 Ų15075 Ų7569%0.69438%0.377SS*.THydrogen-bonded Turntrans-100.6-10.2179-62.8-66.9000114.8N83N83-H85 PolarHBondContact O-N 2.82Å; N83-H85 PolarHBondContact OD1-N 3.38Å; N83-H85 VanDerWaalsContact OD1-N 3.08Å
86Y53.4Low78Confident170 Ų17078.5 Ų78.567%0.66740%0.399SS*.  trans-139.796.6-178.7-62.3-77.5000110.7N83 A88N83-Y86 PolarHBondContact O-N 3.14Å; N83-Y86 VanDerWaalsContact O-N 3.11Å; Y86-A88 PolarHBondContact O-N 3.3Å
87Y58.4Low78Confident178 Ų17880.4 Ų80.470%0.69842%0.419SS*.  trans-78.764.3178.5-59.4-70.6000111.6W80W80-Y87 AromaticContact CZ2-CD1 3.84Å; W80-Y87 HydrophobicContact CZ2-CD1 3.84Å; W80-Y87 HydrophobicContact CZ2-CG 4.27Å
88A64Low78Confident42 Ų4281.3 Ų81.335%0.34742%0.424SS..  trans-114.7140.3-177.300000112.6G81 Y86 D90G81-A88 PolarHBondContact N-O 2.8Å; G81-A88 VanDerWaalsContact N-O 3.17Å; Y86-A88 PolarHBondContact O-N 3.3Å; A88-D90 WeakPolarHBondContact CB-OD1 3.44Å; A88-D90 PolarHBondContact O-N 3.16Å
89M75.3Confident78.1Confident51 Ų5186.6 Ų86.625%0.25146%0.456SS..EExtended strand (participates in β ladder)trans-82.889165.9-65.8175-167.800107.6T16 V18 A78 R79 W80 Y91 W92T16-M89 HydrophobicContact CG2-CE 3.83Å; T16-M89 HydrophobicContact CG2-SD 4.42Å; V18-M89 HydrophobicContact CG2-SD 4.35Å; A78-M89 HydrophobicContact CB-CB 4.07Å; A78-M89 HydrophobicContact CB-CG 4.32Å; A78-M89 HydrophobicContact CB-SD 4.28Å; R79-M89 CarbonylContact O-C 3.58Å; R79-M89 WeakPolarHBondContact O-CA 3.47Å; W80-M89 HydrophobicContact CE3-CE 3.88Å; W80-M89 HydrophobicContact CE3-CG 3.74Å; W80-M89 HydrophobicContact CZ3-CE 3.6Å; W80-M89 HydrophobicContact CZ3-CG 4.07Å; M89-Y91 PolarHBondContact O-N 3.38Å; M89-W92 HydrophobicContact CB-CZ2 3.77Å; M89-W92 HydrophobicContact CG-CZ2 4.17Å; M89-W92 PolarHBondContact O-NE1 3.36Å; M89-W92 HydrophobicContact SD-CH2 3.6Å; M89-W92 VanDerWaalsContact SD-CH2 3.6Å; M89-W92 HydrophobicContact SD-CZ2 3.27Å; M89-W92 WeakPolarHBondContact SD-CZ2 3.27Å
90D77.9Confident78.1Confident76 Ų7686.6 Ų86.641%0.40646%0.46SS..EExtended strand (participates in β ladder)trans-70.9-29.1-167.9-56.4-30.1000113.5R79 G81 A88R79-D90 IonicContact CZ-OD2 2.64Å; R79-D90 IonicContact NH2-OD2 3.88Å; R79-D90 PolarHBondContact NH2-OD2 3.25Å; R79-D90 PolarHBondContact O-N 3.23Å; G81-D90 WeakPolarHBondContact CA-OD2 3.35Å; A88-D90 WeakPolarHBondContact CB-OD1 3.44Å; A88-D90 PolarHBondContact O-N 3.16Å
91Y87.6Confident78.5Confident146 Ų14687.9 Ų87.957%0.57348%0.48SS*.EExtended strand (participates in β ladder)trans-136.9132.6-175.9-68.7-89.4000110.6A78 R79 M89A78-Y91 CarbonylContact C-O 3.59Å; A78-Y91 WeakPolarHBondContact CA-O 3.38Å; A78-Y91 WeakPolarHBondContact CB-O 3.4Å; R79-Y91 VanDerWaalsContact CZ-CE2 3.48Å; R79-Y91 PolarHBondContact N-O 2.74Å; R79-Y91 VanDerWaalsContact NH2-CE2 3.26Å; M89-Y91 PolarHBondContact O-N 3.38Å
92W93.3Very high79.4Confident103 Ų10392.8 Ų92.839%0.3951%0.514SS..EExtended strand (participates in β ladder)trans-118.6139.7-179.5-69.673.7000110.7V18 L26 Y76 A78 M89V18-W92 HydrophobicContact CB-CH2 4.18Å; V18-W92 HydrophobicContact CB-CZ3 3.93Å; V18-W92 HydrophobicContact CG1-CH2 4.19Å; V18-W92 HydrophobicContact CG1-CZ3 4.2Å; V18-W92 HydrophobicContact CG2-CH2 3.83Å; V18-W92 HydrophobicContact CG2-CZ3 3.95Å; L26-W92 HydrophobicContact CD1-CH2 3.76Å; L26-W92 HydrophobicContact CD1-CZ2 4.28Å; L26-W92 HydrophobicContact CD1-CZ3 4.41Å; Y76-W92 HydrophobicContact CG-CE3 4.17Å; Y76-W92 HydrophobicContact CG-CZ3 4.31Å; A78-W92 HydrophobicContact CB-CD2 3.73Å; A78-W92 HydrophobicContact CB-CE3 3.96Å; A78-W92 HydrophobicContact CB-CG 4.12Å; A78-W92 HydrophobicContact CB-CH2 4.43Å; A78-W92 HydrophobicContact CB-CZ2 4.26Å; A78-W92 HydrophobicContact CB-CZ3 4.3Å; M89-W92 HydrophobicContact CB-CZ2 3.77Å; M89-W92 HydrophobicContact CG-CZ2 4.17Å; M89-W92 PolarHBondContact O-NE1 3.36Å; M89-W92 HydrophobicContact SD-CH2 3.6Å; M89-W92 VanDerWaalsContact SD-CH2 3.6Å; M89-W92 HydrophobicContact SD-CZ2 3.27Å; M89-W92 WeakPolarHBondContact SD-CZ2 3.27Å
93G94.3Very high80.2Confident29 Ų2997.9 Ų97.930%0.29952%0.521SS..  trans-68.9162.2163.700000111.1C77 G95C77-G93 PolarHBondContact O-N 3.1Å; G93-G95 PolarHBondContact O-N 3.42Å; G93-G95 VanDerWaalsContact O-N 3.12Å
94Q95.1Very high80.9Confident188 Ų18899 Ų9988%0.87954%0.535SS*.  trans-64-17-179.8-64.4-60.7-4700113.8
95G95.9Very high81.1Confident26 Ų26101.5 Ų101.527%0.26854%0.539SS..  trans84.4155.2-176.400000113.1Y75 G93Y75-G95 CarbonylContact O-C 3.48Å; Y75-G95 WeakPolarHBondContact O-CA 3.26Å; G93-G95 PolarHBondContact O-N 3.42Å; G93-G95 VanDerWaalsContact O-N 3.12Å
96T97.1Very high81.5Confident78 Ų7899.9 Ų99.948%0.47954%0.544SS..EExtended strand (participates in β ladder)trans-127.4124177.4-60.90000109Y75Y75-T96 PolarHBondContact N-O 3.13Å; Y75-T96 PolarHBondContact O-N 2.59Å
97S97.1Very high81.7Confident86 Ų86103.9 Ų103.960%0.60157%0.566SS**EExtended strand (participates in β ladder)trans-73.6129.4172.6-174.60000110.1
98V96.3Very high82.9Confident35 Ų35100.2 Ų100.221%0.21256%0.559CS.*EExtended strand (participates in β ladder)trans-120125.5170.6178.50000107.2L67 S72 A73 Y75 V100L67-V98 HydrophobicContact CD1-CG1 4.37Å; S72-V98 CarbonylContact C-O 3.58Å; S72-V98 VanDerWaalsContact CA-O 3.24Å; S72-V98 WeakPolarHBondContact CA-O 3.36Å; A73-V98 PolarHBondContact N-O 3.02Å; A73-V98 PolarHBondContact O-N 2.96Å; Y75-V98 HydrophobicContact CD2-CB 3.87Å; Y75-V98 HydrophobicContact CD2-CG2 3.65Å; Y75-V98 HydrophobicContact CE2-CB 3.73Å; Y75-V98 HydrophobicContact CE2-CG1 4.46Å; Y75-V98 HydrophobicContact CE2-CG2 3.96Å; V98-V100 HydrophobicContact CG1-CG2 4.17Å
99T95.9Very high83.9Confident114 Ų114103.2 Ų103.270%0.69957%0.57SS**  trans-116129.2175.9-57.60000108.7
100V93.6Very high84.4Confident34 Ų34106.1 Ų106.121%0.20659%0.588CS.*  trans-120.6115.3178.9-1740000107.4L67 T68 S69 S72 V98L67-V100 HydrophobicContact CB-CG1 4.26Å; L67-V100 HydrophobicContact CB-CG2 3.95Å; L67-V100 HydrophobicContact CD1-CG2 3.98Å; T68-V100 WeakPolarHBondContact O-CB 3.43Å; T68-V100 WeakPolarHBondContact O-CG1 3.43Å; S69-V100 WeakPolarHBondContact CA-O 3.45Å; S72-V100 PolarHBondContact OG-N 3.49Å; S72-V100 PolarHBondContact OG-O 2.84Å; V98-V100 HydrophobicContact CG1-CG2 4.17Å
101S90.4Very high84.8Confident102 Ų102107.9 Ų107.971%0.71360%0.599SS**  trans-111.1136.6176.652.80000109.9
102S83.4Confident84.6Confident108 Ų108105.5 Ų105.576%0.75560%0.6SS**  trans-78.2118.5165.551.70000108.6
103E73.6Confident84Confident170 Ų170105.7 Ų105.779%0.79461%0.614SS**  trans-96.2112167.9-165.9170-149.800108.2Q105E103-Q105 PolarHBondContact O-N 2.61Å
104S67.8Low83.3Confident102 Ų102111.1 Ų111.171%0.71364%0.637SS**  trans-84.3104.9166.648.30000107.6S106S104-S106 PolarHBondContact O-N 3.43Å
105Q58.3Low82.4Confident143 Ų143105.2 Ų105.267%0.66862%0.618SS**  trans-63111.5166.1-71.1-175.5-0.400107.2E103 F107E103-Q105 PolarHBondContact O-N 2.61Å; Q105-F107 HydrophobicContact CB-CE2 4.36Å; Q105-F107 PolarHBondContact O-N 3.47Å
106S63.3Low81.2Confident116 Ų116111.8 Ų111.881%0.81165%0.647SS**  trans-75.5111.8171.3-47.20000105.9S104S104-S106 PolarHBondContact O-N 3.43Å
107F58Low79.8Confident254 Ų254114.9 Ų114.9100%1.11466%0.663SS**  trans-85.90167.5-73-79.6000110Q105Q105-F107 HydrophobicContact CB-CE2 4.36Å; Q105-F107 PolarHBondContact O-N 3.47Å

Retrieved 107 of 107 residues in 22.2 ms (Link to these results)

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