X5J4T6_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4T6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 102 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
1L97.3Very high95.1Very high57 Ų5763.6 Ų63.630%0.29840%0.401SS..  0139.40-68.1157.8000108.6W17 Y61 M62 L64 Y75 T96 V98L1-W17 HydrophobicContact CB-CH2 3.95Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; L1-Y61 VanDerWaalsContact O-CA 3.3Å; L1-Y61 WeakPolarHBondContact O-CA 3.44Å; L1-M62 HydrophobicContact CB-CB 4.47Å; L1-M62 HydrophobicContact CD1-CE 3.38Å; L1-M62 PolarHBondContact N-O 3.23Å; L1-M62 PolarHBondContact O-N 2.78Å; L1-L64 HydrophobicContact CD1-CD1 3.93Å; L1-Y75 HydrophobicContact CD1-CD1 3.99Å; L1-Y75 HydrophobicContact CD1-CD2 4.35Å; L1-Y75 HydrophobicContact CD1-CG 3.73Å; L1-T96 HydrophobicContact CD2-CG2 3.66Å; L1-V98 HydrophobicContact CD1-CG2 4.41Å; L1-V98 HydrophobicContact CD2-CG2 4.02Å
2S97.8Very high94.8Very high84 Ų8465.1 Ų65.159%0.58740%0.403SS*.EExtended strand (participates in β ladder)trans-124.4146.6178.157.70000110.4A60 Y61S2-A60 CarbonylContact C-O 3.6Å; S2-A60 WeakPolarHBondContact CA-O 3.45Å; S2-Y61 VanDerWaalsContact CB-CE1 3.48Å
3C97.6Very high94.5Very high18 Ų1863.8 Ų63.812%0.12239%0.387CS..EExtended strand (participates in β ladder)trans-135.3103.7177.6179.90000108.6W17 T59 A60 C77C3-W17 HydrophobicContact CB-CH2 3.78Å; C3-W17 HydrophobicContact CB-CZ2 3.99Å; C3-T59 WeakPolarHBondContact O-CA 3.07Å; C3-A60 PolarHBondContact N-O 3.25Å; C3-A60 PolarHBondContact O-N 3.01Å; C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.24Å; C3-C77 WeakPolarHBondContact SG-CB 3.25Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.03Å
4K97.3Very high94.5Very high156 Ų15663.8 Ų63.868%0.67838%0.377SS*.EExtended strand (participates in β ladder)trans-90.1124.6180-173.9174.1-177.8178.40110.1T59K4-T59 HydrophobicContact CB-CG2 4.43Å
5A94.9Very high94.6Very high14 Ų1459.7 Ų59.712%0.11635%0.352CS..  trans-77.5149176.200000111.8Y8 F10 S58A5-Y8 HydrophobicContact CB-CE1 3.7Å; A5-Y8 HydrophobicContact CB-CE2 4.22Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.49Å; A5-F10 HydrophobicContact CB-CB 4.04Å; A5-F10 HydrophobicContact CB-CD2 3.34Å; A5-F10 HydrophobicContact CB-CE2 4.02Å; A5-F10 HydrophobicContact CB-CG 3.98Å; A5-S58 WeakPolarHBondContact CB-O 3.43Å; A5-S58 PolarHBondContact N-O 3.16Å
6S93.8Very high94.8Very high102 Ų10257.4 Ų57.471%0.71334%0.337SS*.  trans-149.1146.4173.560.90000110.3Y8S6-Y8 WeakPolarHBondContact O-CD1 3.3Å; S6-Y8 PolarHBondContact O-N 2.95Å
7G92.5Very high95Very high89 Ų8954.3 Ų54.392%0.91832%0.318SS*.SBendtrans77.312.1175.500000116.2
8Y90.8Very high95.1Very high53 Ų5351.4 Ų51.421%0.20830%0.301CS..SBendtrans-157.2165.3174.167-84000112.2A5 S6 F10 Y13 I15 R79A5-Y8 HydrophobicContact CB-CE1 3.7Å; A5-Y8 HydrophobicContact CB-CE2 4.22Å; A5-Y8 VanDerWaalsContact CB-CZ 3.46Å; A5-Y8 VanDerWaalsContact CB-OH 3.25Å; A5-Y8 WeakPolarHBondContact CB-OH 3.49Å; S6-Y8 WeakPolarHBondContact O-CD1 3.3Å; S6-Y8 PolarHBondContact O-N 2.95Å; Y8-F10 HydrophobicContact CE2-CD2 4.43Å; Y8-F10 PolarHBondContact O-N 2.93Å; Y8-Y13 AromaticContact CD2-CD2 3.39Å; Y8-Y13 HydrophobicContact CD2-CD2 3.39Å; Y8-Y13 AromaticContact CD2-CE2 3.72Å; Y8-Y13 HydrophobicContact CD2-CE2 3.72Å; Y8-Y13 HydrophobicContact CD2-CG 4.18Å; Y8-Y13 AromaticContact CE2-CD2 3.73Å; Y8-Y13 HydrophobicContact CE2-CD2 3.73Å; Y8-Y13 HydrophobicContact CE2-CE2 4.48Å; Y8-Y13 HydrophobicContact CE2-CG 4.13Å; Y8-Y13 HydrophobicContact CG-CD2 4.45Å; Y8-Y13 HydrophobicContact CG-CE2 4.43Å; Y8-I15 WeakPolarHBondContact OH-CD1 3.42Å; Y8-R79 VanDerWaalsContact CD2-NH1 3.32Å; Y8-R79 VanDerWaalsContact CZ-CD 3.49Å
9T94.1Very high95.2Very high81 Ų8148.7 Ų48.750%0.49729%0.286SS..  trans-7198172.7-51.20000110.4T11 N12 Y13T9-T11 PolarHBondContact O-N 2.84Å; T9-T11 VanDerWaalsContact O-N 3.15Å; T9-N12 WeakPolarHBondContact O-CB 3.49Å; T9-N12 PolarHBondContact O-N 2.79Å; T9-Y13 WeakPolarHBondContact O-CD2 3.17Å
10F94.5Very high95.3Very high6 Ų649.7 Ų49.73%0.02629%0.287CS..G310 helixtrans-50.8-40.3-174.2176.8-121.9000114.2A5 Y8 N12 Y13 I15 P34 V53 S58 A60A5-F10 HydrophobicContact CB-CB 4.04Å; A5-F10 HydrophobicContact CB-CD2 3.34Å; A5-F10 HydrophobicContact CB-CE2 4.02Å; A5-F10 HydrophobicContact CB-CG 3.98Å; Y8-F10 HydrophobicContact CE2-CD2 4.43Å; Y8-F10 PolarHBondContact O-N 2.93Å; F10-N12 PolarHBondContact O-N 2.79Å; F10-Y13 PolarHBondContact O-N 3.04Å; F10-I15 HydrophobicContact CD2-CD1 4.17Å; F10-I15 HydrophobicContact CD2-CG1 4.44Å; F10-I15 HydrophobicContact CE2-CD1 3.78Å; F10-I15 HydrophobicContact CE2-CG1 3.66Å; F10-I15 HydrophobicContact CZ-CG1 4.3Å; F10-P34 HydrophobicContact CD1-CB 3.79Å; F10-P34 HydrophobicContact CD1-CG 4.17Å; F10-P34 HydrophobicContact CD2-CG 4.2Å; F10-P34 HydrophobicContact CE1-CB 3.45Å; F10-P34 VanDerWaalsContact CE1-CB 3.45Å; F10-P34 HydrophobicContact CE1-CG 3.77Å; F10-P34 HydrophobicContact CE2-CB 4.42Å; F10-P34 HydrophobicContact CE2-CG 3.82Å; F10-P34 HydrophobicContact CG-CB 4.42Å; F10-P34 HydrophobicContact CG-CG 4.39Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.58Å; F10-V53 HydrophobicContact CZ-CG1 4.41Å; F10-S58 VanDerWaalsContact CD1-CA 3.47Å; F10-A60 HydrophobicContact CE2-CB 4.39Å; F10-A60 HydrophobicContact CZ-CB 4.02Å
11T95.1Very high95.4Very high40 Ų4050.1 Ų50.125%0.24528%0.284CS..G310 helixtrans-67.9-13.4-177.751.90000114.6T9 N35T9-T11 PolarHBondContact O-N 2.84Å; T9-T11 VanDerWaalsContact O-N 3.15Å; T11-N35 WeakPolarHBondContact O-CB 3.26Å
12N92.2Very high95.1Very high81 Ų8153 Ų5343%0.43331%0.306SS..G310 helixtrans-88-8.9-176.5-66.72.4000113.2T9 F10 Y82T9-N12 WeakPolarHBondContact O-CB 3.49Å; T9-N12 PolarHBondContact O-N 2.79Å; F10-N12 PolarHBondContact O-N 2.79Å; N12-Y82 WeakPolarHBondContact O-CE2 3.17Å; N12-Y82 PolarHBondContact O-OH 3.17Å
13Y90.9Very high94.9Very high48 Ų4853.5 Ų53.519%0.18832%0.324CS..SBendtrans-127.3140.3-169.1-65.1-96.4000111.9Y8 T9 F10 P34 P80 Y82Y8-Y13 AromaticContact CD2-CD2 3.39Å; Y8-Y13 HydrophobicContact CD2-CD2 3.39Å; Y8-Y13 AromaticContact CD2-CE2 3.72Å; Y8-Y13 HydrophobicContact CD2-CE2 3.72Å; Y8-Y13 HydrophobicContact CD2-CG 4.18Å; Y8-Y13 AromaticContact CE2-CD2 3.73Å; Y8-Y13 HydrophobicContact CE2-CD2 3.73Å; Y8-Y13 HydrophobicContact CE2-CE2 4.48Å; Y8-Y13 HydrophobicContact CE2-CG 4.13Å; Y8-Y13 HydrophobicContact CG-CD2 4.45Å; Y8-Y13 HydrophobicContact CG-CE2 4.43Å; T9-Y13 WeakPolarHBondContact O-CD2 3.17Å; F10-Y13 PolarHBondContact O-N 3.04Å; Y13-P34 WeakPolarHBondContact O-CD 3.37Å; Y13-P80 WeakPolarHBondContact CD1-O 3.45Å; Y13-Y82 AromaticContact CD1-CD2 3.75Å; Y13-Y82 HydrophobicContact CD1-CD2 3.75Å; Y13-Y82 AromaticContact CD1-CE2 3.55Å; Y13-Y82 HydrophobicContact CD1-CE2 3.55Å; Y13-Y82 AromaticContact CE1-CD2 3.27Å; Y13-Y82 HydrophobicContact CE1-CD2 3.27Å; Y13-Y82 AromaticContact CE1-CE2 3.56Å; Y13-Y82 HydrophobicContact CE1-CE2 3.56Å; Y13-Y82 HydrophobicContact CE1-CG 4.44Å; Y13-Y82 HydrophobicContact CG-CE2 4.11Å; Y13-Y82 AromaticContact CZ-CD2 3.78Å
14W94.1Very high94.8Very high64 Ų6457.3 Ų57.324%0.24234%0.34CS..  trans-64.5139.1165-69.889000110.7M31 I32 H33 S38 P80W14-M31 HydrophobicContact CD2-CE 4.34Å; W14-M31 HydrophobicContact CD2-CG 4.41Å; W14-M31 HydrophobicContact CD2-SD 4.16Å; W14-M31 HydrophobicContact CE3-CB 4.07Å; W14-M31 HydrophobicContact CE3-CE 4.04Å; W14-M31 HydrophobicContact CE3-CG 3.53Å; W14-M31 HydrophobicContact CE3-SD 3.84Å; W14-M31 HydrophobicContact CH2-CE 4.31Å; W14-M31 HydrophobicContact CZ3-CE 4.02Å; W14-M31 HydrophobicContact CZ3-CG 3.85Å; W14-M31 HydrophobicContact CZ3-SD 4.35Å; W14-I32 VanDerWaalsContact CE3-C 3.42Å; W14-H33 AromaticContact CD1-CD2 3.74Å; W14-H33 HydrophobicContact CD2-CB 3.7Å; W14-H33 AromaticContact CD2-CD2 3.91Å; W14-H33 AromaticContact CE2-CD2 3.71Å; W14-H33 AromaticContact CE2-CG 3.94Å; W14-H33 HydrophobicContact CE3-CB 3.61Å; W14-H33 VanDerWaalsContact CE3-N 3.28Å; W14-H33 AromaticContact CG-CD2 3.94Å; W14-H33 HydrophobicContact CH2-CB 3.63Å; W14-H33 HydrophobicContact CZ2-CB 3.69Å; W14-H33 HydrophobicContact CZ3-CB 3.59Å; W14-H33 AromaticContact NE1-CD2 3.57Å; W14-S38 VanDerWaalsContact CZ3-O 3.24Å; W14-S38 WeakPolarHBondContact CZ3-O 3.15Å; W14-P80 WeakPolarHBondContact O-CD 3.38Å
15I96.3Very high94.6Very high2 Ų252.5 Ų52.51%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-108.8117.7172.4-51.2-60000107.9Y8 F10 M31 I32 P34 A60 C77 R79Y8-I15 WeakPolarHBondContact OH-CD1 3.42Å; F10-I15 HydrophobicContact CD2-CD1 4.17Å; F10-I15 HydrophobicContact CD2-CG1 4.44Å; F10-I15 HydrophobicContact CE2-CD1 3.78Å; F10-I15 HydrophobicContact CE2-CG1 3.66Å; F10-I15 HydrophobicContact CZ-CG1 4.3Å; I15-M31 CarbonylContact O-C 3.48Å; I15-M31 WeakPolarHBondContact O-CA 3.35Å; I15-M31 WeakPolarHBondContact O-CB 3.35Å; I15-I32 HydrophobicContact CB-CG2 4.42Å; I15-I32 PolarHBondContact N-O 2.75Å; I15-I32 PolarHBondContact O-N 3.17Å; I15-P34 HydrophobicContact CG1-CG 3.88Å; I15-A60 HydrophobicContact CB-CB 4.13Å; I15-A60 HydrophobicContact CG1-CB 4.2Å; I15-A60 HydrophobicContact CG2-CB 3.81Å; I15-C77 HydrophobicContact CG2-CB 4.3Å; I15-R79 HydrophobicContact CD1-CB 4.35Å
16H97.1Very high94.7Very high23 Ų2356.5 Ų56.511%0.10635%0.354CS..EExtended strand (participates in β ladder)trans-95.4147.3178.9-63.4-105.9000110.1W28 G30 M31 C77 A78 M89H16-W28 AromaticContact ND1-NE1 3.28Å; H16-W28 PolarHBondContact ND1-NE1 3.09Å; H16-G30 WeakPolarHBondContact CA-O 3.47Å; H16-M31 PolarHBondContact CE1-SD 3.2Å; H16-C77 CarbonylContact O-C 3.6Å; H16-C77 WeakPolarHBondContact O-CA 3.36Å; H16-A78 PolarHBondContact N-O 2.82Å; H16-A78 PolarHBondContact O-N 2.8Å; H16-M89 HydrophobicContact CB-CE 3.92Å; H16-M89 HydrophobicContact CB-SD 3.88Å; H16-M89 WeakPolarHBondContact ND1-CE 3.38Å
17W98.1Very high94.8Very high5 Ų553.4 Ų53.42%0.01933%0.328CS..EExtended strand (participates in β ladder)trans-116.8135.3171.9-68.491.8000109.9L1 C3 I29 G30 L51 A60 M62 Y76 C77L1-W17 HydrophobicContact CB-CH2 3.95Å; L1-W17 HydrophobicContact CB-CZ3 3.74Å; C3-W17 HydrophobicContact CB-CH2 3.78Å; C3-W17 HydrophobicContact CB-CZ2 3.99Å; W17-I29 HydrophobicContact CB-CB 4.14Å; W17-I29 HydrophobicContact CB-CD1 4.3Å; W17-I29 WeakPolarHBondContact O-CB 3.26Å; W17-I29 PolarHBondContact O-N 3.23Å; W17-G30 PolarHBondContact N-O 2.89Å; W17-L51 VanDerWaalsContact CD1-CD2 3.45Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; W17-A60 HydrophobicContact CZ2-CB 4.31Å; W17-M62 HydrophobicContact CB-CE 4.23Å; W17-M62 HydrophobicContact CB-SD 3.76Å; W17-M62 HydrophobicContact CD2-CB 3.69Å; W17-M62 HydrophobicContact CD2-CE 4.04Å; W17-M62 HydrophobicContact CD2-CG 4.48Å; W17-M62 HydrophobicContact CD2-SD 4.02Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.58Å; W17-M62 HydrophobicContact CE3-SD 4.2Å; W17-M62 HydrophobicContact CG-CB 4.2Å; W17-M62 HydrophobicContact CG-CE 4.34Å; W17-M62 HydrophobicContact CG-SD 3.85Å; W17-M62 HydrophobicContact CH2-CB 4.12Å; W17-M62 HydrophobicContact CZ2-CB 3.88Å; W17-M62 HydrophobicContact CZ3-CB 4.17Å; W17-M62 HydrophobicContact CZ3-CE 4.25Å; W17-Y76 WeakPolarHBondContact CA-O 3.16Å; W17-C77 HydrophobicContact CD2-CB 4.47Å; W17-C77 HydrophobicContact CE3-CB 4.23Å; W17-C77 HydrophobicContact CH2-CB 4.37Å; W17-C77 HydrophobicContact CZ3-CB 4.18Å
18V97.8Very high95Very high3 Ų352.5 Ų52.52%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-138.7139.2-173.5-176.40000109.4L26 E27 Y75 Y76 M89 W92V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.81Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; V18-E27 CarbonylContact C-O 3.5Å; V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.47Å; V18-Y75 CarbonylContact O-C 3.55Å; V18-Y75 WeakPolarHBondContact O-CA 3.4Å; V18-Y76 PolarHBondContact N-O 3.44Å; V18-Y76 PolarHBondContact O-N 3.15Å; V18-M89 HydrophobicContact CG2-SD 4.05Å; V18-W92 HydrophobicContact CB-CH2 4.08Å; V18-W92 HydrophobicContact CB-CZ3 3.81Å; V18-W92 HydrophobicContact CG1-CH2 4.02Å; V18-W92 HydrophobicContact CG1-CZ3 3.99Å; V18-W92 HydrophobicContact CG2-CH2 3.77Å; V18-W92 HydrophobicContact CG2-CZ3 3.89Å
19K96.9Very high95.3Very high0 Ų050 Ų500%029%0.287CS..EExtended strand (participates in β ladder)trans-107.4143.2175.5-175.4-177.1177-1700109.8E27 I29 F45 E70 D71 A73 V74 Y75K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 3.45Å; K19-E27 PolarHBondContact O-N 2.8Å; K19-I29 HydrophobicContact CB-CD1 4.03Å; K19-I29 HydrophobicContact CB-CG1 4.25Å; K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.16Å; K19-E70 PolarHBondContact NZ-O 3.01Å; K19-D71 WeakPolarHBondContact CE-O 3.19Å; K19-D71 IonicContact NZ-OD1 2.74Å; K19-D71 PolarHBondContact NZ-OD1 2.87Å; K19-D71 VanDerWaalsContact NZ-OD1 3.09Å; K19-A73 HydrophobicContact CD-CB 4.04Å; K19-A73 VanDerWaalsContact CE-CB 3.48Å; K19-A73 HydrophobicContact CG-CB 3.38Å; K19-V74 CarbonylContact C-O 3.59Å; K19-Y75 HydrophobicContact CB-CD1 4.22Å; K19-Y75 HydrophobicContact CB-CE1 4.06Å; K19-Y75 HydrophobicContact CD-CE1 4.08Å; K19-Y75 HydrophobicContact CG-CD1 4.34Å; K19-Y75 HydrophobicContact CG-CE1 3.89Å; K19-Y75 HydrophobicContact CG-CE2 4.43Å
20Q97.6Very high95.5Very high67 Ų6746.1 Ų46.131%0.31326%0.263SS..EExtended strand (participates in β ladder)trans-134116.8170.2-166.2-177.622.300110.4L26 A73 V74 Y76Q20-L26 HydrophobicContact CB-CD2 3.96Å; Q20-L26 HydrophobicContact CG-CD2 4.1Å; Q20-A73 WeakPolarHBondContact O-CA 3.39Å; Q20-A73 VanDerWaalsContact O-CB 3.25Å; Q20-A73 WeakPolarHBondContact O-CB 3.47Å; Q20-V74 PolarHBondContact N-O 3.2Å; Q20-V74 PolarHBondContact O-N 2.85Å; Q20-Y76 HydrophobicContact CB-CD2 4.48Å; Q20-Y76 HydrophobicContact CB-CE2 3.73Å; Q20-Y76 PolarHBondContact OE1-OH 3.18Å
21R95.9Very high95.6Very high59 Ų5947.7 Ų47.722%0.22327%0.271CS..  trans-83.1152170.9-67.3-178.4-179.6134.6-9.9110.5G23 Q24 E27 E70 A73R21-G23 PolarHBondContact O-N 2.9Å; R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4.02Å; R21-Q24 PolarHBondContact O-N 3.17Å; R21-E27 IonicContact CZ-OE1 3.09Å; R21-E27 IonicContact NH1-OE1 3.48Å; R21-E27 PolarHBondContact NH1-OE1 2.92Å; R21-E70 VanDerWaalsContact CZ-O 3.24Å; R21-E70 PolarHBondContact NE-O 2.81Å; R21-E70 PolarHBondContact NH2-O 2.88Å; R21-A73 HydrophobicContact CG-CB 4.15Å
22P92.9Very high95.7Very high119 Ų11946 Ų4677%0.77326%0.261SS*.THydrogen-bonded Turntrans-52.5126.3172.6-25.634.8000111.3Q24P22-Q24 PolarHBondContact O-N 3.04Å
23G93.3Very high95.9Very high93 Ų9343.5 Ų43.596%0.95925%0.246SC*.THydrogen-bonded Turntrans71.94.9-179.900000115.8R21R21-G23 PolarHBondContact O-N 2.9Å
24Q94.3Very high96.2Very high99 Ų9941.2 Ų41.246%0.46324%0.237SC..SBendtrans-113163.2176.2-57.2-168.6300112.1R21 P22R21-Q24 HydrophobicContact CB-CB 4.02Å; R21-Q24 HydrophobicContact CB-CG 4.02Å; R21-Q24 PolarHBondContact O-N 3.17Å; P22-Q24 PolarHBondContact O-N 3.04Å
25G94.4Very high96.2Very high54 Ų5442.6 Ų42.656%0.55725%0.249SC*.  trans-69176173.800000113.3
26L95.6Very high96.2Very high98 Ų9846.2 Ų46.251%0.51328%0.275SS..EExtended strand (participates in β ladder)trans-73.8129.4174.5-66170.1000110.4V18 Q20 Y76 W92V18-L26 HydrophobicContact CG1-CB 3.78Å; V18-L26 HydrophobicContact CG1-CD2 3.81Å; V18-L26 HydrophobicContact CG1-CG 4.3Å; Q20-L26 HydrophobicContact CB-CD2 3.96Å; Q20-L26 HydrophobicContact CG-CD2 4.1Å; L26-Y76 HydrophobicContact CD2-CE2 4.47Å; L26-W92 HydrophobicContact CD1-CH2 3.84Å; L26-W92 HydrophobicContact CD1-CZ2 4.34Å; L26-W92 HydrophobicContact CD1-CZ3 4.43Å; L26-W92 HydrophobicContact CD2-CH2 4.49Å; L26-W92 HydrophobicContact CD2-CZ3 4.38Å
27E96.4Very high96.2Very high37 Ų3747 Ų4717%0.17329%0.289CS..EExtended strand (participates in β ladder)trans-109.7114.9174.7-64.7-171.2-95.400109.8V18 K19 R21 I29 F45V18-E27 CarbonylContact C-O 3.5Å; V18-E27 WeakPolarHBondContact CA-O 3.41Å; V18-E27 WeakPolarHBondContact CG1-O 3.47Å; K19-E27 HydrophobicContact CB-CB 4.38Å; K19-E27 PolarHBondContact N-O 3.45Å; K19-E27 PolarHBondContact O-N 2.8Å; R21-E27 IonicContact CZ-OE1 3.09Å; R21-E27 IonicContact NH1-OE1 3.48Å; R21-E27 PolarHBondContact NH1-OE1 2.92Å; E27-I29 PolarHBondContact O-N 2.57Å; E27-F45 HydrophobicContact CB-CE2 4.4Å; E27-F45 HydrophobicContact CB-CZ 4.3Å
28W96.6Very high96.1Very high71 Ų7149.7 Ų49.727%0.26931%0.308SS..EExtended strand (participates in β ladder)trans-71.7127.5175.6-178.270.6000110.9H16 G30 M31 N40 N42H16-W28 AromaticContact ND1-NE1 3.28Å; H16-W28 PolarHBondContact ND1-NE1 3.09Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 PolarHBondContact NE1-O 3.24Å; W28-G30 VanDerWaalsContact NE1-O 3.08Å; W28-M31 HydrophobicContact CZ2-CB 4Å; W28-M31 HydrophobicContact CZ2-CG 3.84Å; W28-M31 HydrophobicContact CZ2-SD 4.19Å; W28-N40 HydrophobicContact CH2-CB 4.3Å; W28-N42 HydrophobicContact CE3-CB 3.83Å; W28-N42 HydrophobicContact CZ3-CB 4.03Å; W28-N42 WeakPolarHBondContact O-CB 3.4Å; W28-N42 PolarHBondContact O-ND2 2.99Å
29I97.6Very high96.1Very high0 Ų052 Ų520%033%0.325CS..EExtended strand (participates in β ladder)trans-91.7-48.3-179.2-65.5166.9000110.7W17 K19 E27 N42 F45 A49 M62 Y75W17-I29 HydrophobicContact CB-CB 4.14Å; W17-I29 HydrophobicContact CB-CD1 4.3Å; W17-I29 WeakPolarHBondContact O-CB 3.26Å; W17-I29 PolarHBondContact O-N 3.23Å; K19-I29 HydrophobicContact CB-CD1 4.03Å; K19-I29 HydrophobicContact CB-CG1 4.25Å; E27-I29 PolarHBondContact O-N 2.57Å; I29-N42 PolarHBondContact O-N 2.74Å; I29-F45 HydrophobicContact CB-CD2 4.37Å; I29-F45 HydrophobicContact CB-CG 4.31Å; I29-F45 HydrophobicContact CG1-CD1 4.14Å; I29-F45 HydrophobicContact CG1-CD2 4.18Å; I29-F45 HydrophobicContact CG1-CE1 4.25Å; I29-F45 HydrophobicContact CG1-CE2 4.27Å; I29-F45 HydrophobicContact CG1-CG 4.11Å; I29-F45 HydrophobicContact CG1-CZ 4.3Å; I29-F45 HydrophobicContact CG2-CB 3.8Å; I29-F45 HydrophobicContact CG2-CG 4.06Å; I29-A49 HydrophobicContact CG2-CB 3.8Å; I29-M62 HydrophobicContact CB-SD 4.48Å; I29-M62 HydrophobicContact CD1-CE 3.65Å; I29-M62 HydrophobicContact CD1-SD 3.74Å; I29-M62 HydrophobicContact CG2-SD 3.79Å; I29-Y75 HydrophobicContact CD1-CD1 3.69Å; I29-Y75 HydrophobicContact CD1-CE1 3.75Å
30G97.2Very high96Very high0 Ų056.1 Ų56.10%035%0.347CS..EExtended strand (participates in β ladder)trans171.1178-170.400000112.3H16 W17 W28 N40H16-G30 WeakPolarHBondContact CA-O 3.47Å; W17-G30 PolarHBondContact N-O 2.89Å; W28-G30 VanDerWaalsContact CE2-C 3.5Å; W28-G30 PolarHBondContact NE1-O 3.24Å; W28-G30 VanDerWaalsContact NE1-O 3.08Å; G30-N40 CarbonylContact C-O 3.54Å; G30-N40 WeakPolarHBondContact CA-O 3.37Å
31M97Very high96Very high39 Ų3955 Ų5519%0.19234%0.34CS..EExtended strand (participates in β ladder)trans-146.2154.2174.868.1-173-175.800111.4W14 I15 H16 W28 S39 N40W14-M31 HydrophobicContact CD2-CE 4.34Å; W14-M31 HydrophobicContact CD2-CG 4.41Å; W14-M31 HydrophobicContact CD2-SD 4.16Å; W14-M31 HydrophobicContact CE3-CB 4.07Å; W14-M31 HydrophobicContact CE3-CE 4.04Å; W14-M31 HydrophobicContact CE3-CG 3.53Å; W14-M31 HydrophobicContact CE3-SD 3.84Å; W14-M31 HydrophobicContact CH2-CE 4.31Å; W14-M31 HydrophobicContact CZ3-CE 4.02Å; W14-M31 HydrophobicContact CZ3-CG 3.85Å; W14-M31 HydrophobicContact CZ3-SD 4.35Å; I15-M31 CarbonylContact O-C 3.48Å; I15-M31 WeakPolarHBondContact O-CA 3.35Å; I15-M31 WeakPolarHBondContact O-CB 3.35Å; H16-M31 PolarHBondContact CE1-SD 3.2Å; W28-M31 HydrophobicContact CZ2-CB 4Å; W28-M31 HydrophobicContact CZ2-CG 3.84Å; W28-M31 HydrophobicContact CZ2-SD 4.19Å; M31-S39 CarbonylContact O-C 3.59Å; M31-S39 WeakPolarHBondContact O-CA 3.11Å; M31-S39 WeakPolarHBondContact O-CB 3.21Å; M31-N40 HydrophobicContact CE-CB 4.06Å; M31-N40 HydrophobicContact CG-CB 4.32Å; M31-N40 PolarHBondContact N-O 3.17Å; M31-N40 PolarHBondContact O-N 3.12Å
32I97.6Very high96.1Very high5 Ų554.3 Ų54.33%0.02634%0.341CS..EExtended strand (participates in β ladder)trans-134.5136.6175.4-173.5158.5000110.3W14 I15 P34 S38 L51 V53W14-I32 VanDerWaalsContact CE3-C 3.42Å; I15-I32 HydrophobicContact CB-CG2 4.42Å; I15-I32 PolarHBondContact N-O 2.75Å; I15-I32 PolarHBondContact O-N 3.17Å; I32-P34 WeakPolarHBondContact O-CD 3.49Å; I32-S38 CarbonylContact C-O 3.53Å; I32-S38 WeakPolarHBondContact CA-O 3.48Å; I32-L51 HydrophobicContact CB-CB 4.08Å; I32-L51 HydrophobicContact CB-CD1 4.29Å; I32-L51 HydrophobicContact CD1-CB 4.07Å; I32-L51 WeakPolarHBondContact CD1-O 3.38Å; I32-L51 HydrophobicContact CG2-CB 4.27Å; I32-V53 HydrophobicContact CD1-CG1 3.88Å; I32-V53 HydrophobicContact CD1-CG2 4.47Å; I32-V53 HydrophobicContact CG1-CG1 3.95Å; I32-V53 HydrophobicContact CG2-CG1 3.79Å
33H96.4Very high96.2Very high27 Ų2754.8 Ų54.813%0.12533%0.333CS..  trans-92.9112.3174.7-169-109.5000109.4W14 N35 S36 G37 S38W14-H33 AromaticContact CD1-CD2 3.74Å; W14-H33 HydrophobicContact CD2-CB 3.7Å; W14-H33 AromaticContact CD2-CD2 3.91Å; W14-H33 AromaticContact CE2-CD2 3.71Å; W14-H33 AromaticContact CE2-CG 3.94Å; W14-H33 HydrophobicContact CE3-CB 3.61Å; W14-H33 VanDerWaalsContact CE3-N 3.28Å; W14-H33 AromaticContact CG-CD2 3.94Å; W14-H33 HydrophobicContact CH2-CB 3.63Å; W14-H33 HydrophobicContact CZ2-CB 3.69Å; W14-H33 HydrophobicContact CZ3-CB 3.59Å; W14-H33 AromaticContact NE1-CD2 3.57Å; H33-N35 VanDerWaalsContact C-N 3.26Å; H33-N35 PolarHBondContact O-N 3.46Å; H33-S36 WeakPolarHBondContact CB-OG 3.39Å; H33-S36 PolarHBondContact ND1-N 2.73Å; H33-S36 PolarHBondContact ND1-OG 3.23Å; H33-S36 PolarHBondContact O-N 2.9Å; H33-G37 WeakPolarHBondContact O-CA 3.2Å; H33-G37 PolarHBondContact O-N 2.86Å; H33-S38 PolarHBondContact N-O 2.83Å
34P96.5Very high96.2Very high0 Ų057.4 Ų57.40%032%0.318CS..THydrogen-bonded Turntrans-65.5-25.7-170.3-21.232.7000114.2F10 Y13 I15 I32 V53 K55F10-P34 HydrophobicContact CD1-CB 3.79Å; F10-P34 HydrophobicContact CD1-CG 4.17Å; F10-P34 HydrophobicContact CD2-CG 4.2Å; F10-P34 HydrophobicContact CE1-CB 3.45Å; F10-P34 VanDerWaalsContact CE1-CB 3.45Å; F10-P34 HydrophobicContact CE1-CG 3.77Å; F10-P34 HydrophobicContact CE2-CB 4.42Å; F10-P34 HydrophobicContact CE2-CG 3.82Å; F10-P34 HydrophobicContact CG-CB 4.42Å; F10-P34 HydrophobicContact CG-CG 4.39Å; F10-P34 HydrophobicContact CZ-CB 3.8Å; F10-P34 HydrophobicContact CZ-CG 3.58Å; Y13-P34 WeakPolarHBondContact O-CD 3.37Å; I15-P34 HydrophobicContact CG1-CG 3.88Å; I32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-V53 HydrophobicContact CB-CB 4.39Å; P34-V53 HydrophobicContact CB-CG1 4.07Å; P34-V53 HydrophobicContact CG-CG1 4.25Å; P34-K55 WeakPolarHBondContact O-CE 3.4Å
35N95.8Very high96.2Very high93 Ų9353.2 Ų53.250%0.49730%0.298SS..THydrogen-bonded Turntrans-71.9-51.5176.7-170.324.3000112.5T11 H33 K55T11-N35 WeakPolarHBondContact O-CB 3.26Å; H33-N35 VanDerWaalsContact C-N 3.26Å; H33-N35 PolarHBondContact O-N 3.46Å; N35-K55 PolarHBondContact O-NZ 2.85Å
36S96.1Very high96.2Very high79 Ų7956.1 Ų56.155%0.55230%0.295SS*.THydrogen-bonded Turntrans-91.8-16.1-172.454.60000113.6H33 S38H33-S36 WeakPolarHBondContact CB-OG 3.39Å; H33-S36 PolarHBondContact ND1-N 2.73Å; H33-S36 PolarHBondContact ND1-OG 3.23Å; H33-S36 PolarHBondContact O-N 2.9Å; S36-S38 PolarHBondContact O-N 2.9Å; S36-S38 PolarHBondContact OG-N 3.09Å
37G95.4Very high96.1Very high38 Ų3856.3 Ų56.339%0.39231%0.305SS..  trans70.12.2-171.300000113.7H33 S39H33-G37 WeakPolarHBondContact O-CA 3.2Å; H33-G37 PolarHBondContact O-N 2.86Å; G37-S39 PolarHBondContact O-N 3.48Å
38S96.6Very high96Very high62 Ų6256.8 Ų56.843%0.43431%0.306SS..  trans-61.1135.7175.8-177.40000109.5W14 I32 H33 S36W14-S38 VanDerWaalsContact CZ3-O 3.24Å; W14-S38 WeakPolarHBondContact CZ3-O 3.15Å; I32-S38 CarbonylContact C-O 3.53Å; I32-S38 WeakPolarHBondContact CA-O 3.48Å; H33-S38 PolarHBondContact N-O 2.83Å; S36-S38 PolarHBondContact O-N 2.9Å; S36-S38 PolarHBondContact OG-N 3.09Å
39S97Very high96.1Very high51 Ų5153.5 Ų53.536%0.35729%0.294SS..EExtended strand (participates in β ladder)trans-134.3151.5179.455.20000111.3M31 G37 Y41M31-S39 CarbonylContact O-C 3.59Å; M31-S39 WeakPolarHBondContact O-CA 3.11Å; M31-S39 WeakPolarHBondContact O-CB 3.21Å; G37-S39 PolarHBondContact O-N 3.48Å; S39-Y41 WeakPolarHBondContact OG-CE2 3Å
40N96.6Very high96.1Very high87 Ų8756.7 Ų56.747%0.46531%0.314SS..EExtended strand (participates in β ladder)trans-134149.1171.6-165.94.7000108.9W28 G30 M31W28-N40 HydrophobicContact CH2-CB 4.3Å; G30-N40 CarbonylContact C-O 3.54Å; G30-N40 WeakPolarHBondContact CA-O 3.37Å; M31-N40 HydrophobicContact CE-CB 4.06Å; M31-N40 HydrophobicContact CG-CB 4.32Å; M31-N40 PolarHBondContact N-O 3.17Å; M31-N40 PolarHBondContact O-N 3.12Å
41Y97.5Very high96.1Very high43 Ų4357.2 Ų57.217%0.16932%0.317CS..EExtended strand (participates in β ladder)trans-130.9150.1-173.5-65.6-95000110.3S39 K46 A49 L51S39-Y41 WeakPolarHBondContact OG-CE2 3Å; Y41-K46 HydrophobicContact CG-CG 4.37Å; Y41-A49 HydrophobicContact CE1-CB 4.45Å; Y41-A49 WeakPolarHBondContact CE1-O 3.21Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.66Å; Y41-L51 PolarHBondContact OH-N 2.92Å
42N96.4Very high96.2Very high46 Ų4658.6 Ų58.625%0.24633%0.327CS..  trans-73.7131.3156.9-179-23.6000108.4W28 I29 K44 F45 K46W28-N42 HydrophobicContact CE3-CB 3.83Å; W28-N42 HydrophobicContact CZ3-CB 4.03Å; W28-N42 WeakPolarHBondContact O-CB 3.4Å; W28-N42 PolarHBondContact O-ND2 2.99Å; I29-N42 PolarHBondContact O-N 2.74Å; N42-K44 PolarHBondContact O-N 2.95Å; N42-K44 PolarHBondContact OD1-N 3.23Å; N42-K44 VanDerWaalsContact OD1-N 3.16Å; N42-F45 HydrophobicContact CB-CD2 4.02Å; N42-F45 PolarHBondContact O-N 2.88Å; N42-K46 PolarHBondContact O-N 3.16Å; N42-K46 VanDerWaalsContact O-N 3.16Å
43E95.6Very high96.2Very high129 Ų12960.2 Ų60.260%0.60334%0.337SS*.THydrogen-bonded Turntrans-54.3-30.9-176.5-70.1-60.8149.400112.8F45 K46E43-F45 PolarHBondContact O-N 3.08Å; E43-K46 IonicContact OE1-NZ 3.45Å; E43-K46 PolarHBondContact OE1-NZ 3.19Å; E43-K46 VanDerWaalsContact OE2-CD 3.24Å; E43-K46 WeakPolarHBondContact OE2-CD 3.42Å; E43-K46 IonicContact OE2-NZ 3.91Å; E43-K46 PolarHBondContact OE2-NZ 2.83Å
44K93Very high96.3Very high147 Ų14761.4 Ų61.464%0.63935%0.345SS*.THydrogen-bonded Turntrans-60.1-28.9175.1-68.3-176.8178.1-179.50114.2N42N42-K44 PolarHBondContact O-N 2.95Å; N42-K44 PolarHBondContact OD1-N 3.23Å; N42-K44 VanDerWaalsContact OD1-N 3.16Å
45F94.9Very high96.2Very high12 Ų1266.6 Ų66.65%0.05337%0.367CS..THydrogen-bonded Turntrans-112.1-8.4-173-61.6-81.6000113.4K19 E27 I29 N42 E43 S47 K48 A49K19-F45 HydrophobicContact CD-CE1 3.98Å; K19-F45 HydrophobicContact CD-CZ 4.16Å; E27-F45 HydrophobicContact CB-CE2 4.4Å; E27-F45 HydrophobicContact CB-CZ 4.3Å; I29-F45 HydrophobicContact CB-CD2 4.37Å; I29-F45 HydrophobicContact CB-CG 4.31Å; I29-F45 HydrophobicContact CG1-CD1 4.14Å; I29-F45 HydrophobicContact CG1-CD2 4.18Å; I29-F45 HydrophobicContact CG1-CE1 4.25Å; I29-F45 HydrophobicContact CG1-CE2 4.27Å; I29-F45 HydrophobicContact CG1-CG 4.11Å; I29-F45 HydrophobicContact CG1-CZ 4.3Å; I29-F45 HydrophobicContact CG2-CB 3.8Å; I29-F45 HydrophobicContact CG2-CG 4.06Å; N42-F45 HydrophobicContact CB-CD2 4.02Å; N42-F45 PolarHBondContact O-N 2.88Å; E43-F45 PolarHBondContact O-N 3.08Å; F45-S47 PolarHBondContact O-N 2.89Å; F45-S47 VanDerWaalsContact O-N 3.15Å; F45-K48 PolarHBondContact O-N 2.03Å; F45-A49 HydrophobicContact CB-CB 4.42Å; F45-A49 PolarHBondContact O-N 2.87Å
46K93.6Very high96.2Very high114 Ų11467.5 Ų67.550%0.49638%0.381SS..THydrogen-bonded Turntrans-57.9-30.6-175-167.6177.1-172.4176.10114Y41 N42 E43Y41-K46 HydrophobicContact CG-CG 4.37Å; N42-K46 PolarHBondContact O-N 3.16Å; N42-K46 VanDerWaalsContact O-N 3.16Å; E43-K46 IonicContact OE1-NZ 3.45Å; E43-K46 PolarHBondContact OE1-NZ 3.19Å; E43-K46 VanDerWaalsContact OE2-CD 3.24Å; E43-K46 WeakPolarHBondContact OE2-CD 3.42Å; E43-K46 IonicContact OE2-NZ 3.91Å; E43-K46 PolarHBondContact OE2-NZ 2.83Å
47S94.2Very high96.3Very high102 Ų10265.4 Ų65.471%0.71337%0.366SS*.THydrogen-bonded Turntrans-87.2-14.2175.758.60000114.3F45F45-S47 PolarHBondContact O-N 2.89Å; F45-S47 VanDerWaalsContact O-N 3.15Å
48K94.9Very high96.4Very high47 Ų4765.6 Ų65.620%0.20436%0.361CS..THydrogen-bonded Turntrans-108.1-25.6-174.5-68.5-171.9172-169.50113.6F45 L64 S65 D71F45-K48 PolarHBondContact O-N 2.03Å; K48-L64 CarbonylContact O-C 3.58Å; K48-L64 VanDerWaalsContact O-CA 3.28Å; K48-L64 WeakPolarHBondContact O-CA 3.46Å; K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.8Å; K48-D71 IonicContact NZ-OD1 3.38Å; K48-D71 PolarHBondContact NZ-OD1 2.99Å; K48-D71 IonicContact NZ-OD2 2.83Å; K48-D71 PolarHBondContact NZ-OD2 3.05Å
49A97.3Very high96.5Very high2 Ų263 Ų632%0.01734%0.343CS..EExtended strand (participates in β ladder)trans-116.7131.9-172.800000111.1I29 Y41 F45 M62 Q63 L64I29-A49 HydrophobicContact CG2-CB 3.8Å; Y41-A49 HydrophobicContact CE1-CB 4.45Å; Y41-A49 WeakPolarHBondContact CE1-O 3.21Å; F45-A49 HydrophobicContact CB-CB 4.42Å; F45-A49 PolarHBondContact O-N 2.87Å; A49-M62 HydrophobicContact CB-CG 4.37Å; A49-M62 HydrophobicContact CB-SD 4.28Å; A49-Q63 CarbonylContact C-O 3.46Å; A49-Q63 WeakPolarHBondContact CA-O 3.44Å; A49-L64 HydrophobicContact CB-CD2 4Å
50T98.1Very high96.5Very high68 Ų6860.5 Ų60.542%0.41733%0.326SS..EExtended strand (participates in β ladder)trans-118121.9170-58.10000108.7T52 M62 Q63T50-T52 HydrophobicContact CG2-CG2 4.26Å; T50-M62 WeakPolarHBondContact O-CA 2.97Å; T50-Q63 PolarHBondContact N-O 2.97Å; T50-Q63 PolarHBondContact O-N 2.92Å
51L98.4Very high96.6Very high10 Ų1060.2 Ų60.25%0.05232%0.319CS..EExtended strand (participates in β ladder)trans-98131.3178.1-53.5-175.8000110.7W17 I32 Y41 Y61 M62W17-L51 VanDerWaalsContact CD1-CD2 3.45Å; W17-L51 HydrophobicContact CG-CD2 4.05Å; I32-L51 HydrophobicContact CB-CB 4.08Å; I32-L51 HydrophobicContact CB-CD1 4.29Å; I32-L51 HydrophobicContact CD1-CB 4.07Å; I32-L51 WeakPolarHBondContact CD1-O 3.38Å; I32-L51 HydrophobicContact CG2-CB 4.27Å; Y41-L51 HydrophobicContact CE1-CD1 4.02Å; Y41-L51 HydrophobicContact CE1-CG 3.66Å; Y41-L51 PolarHBondContact OH-N 2.92Å; L51-Y61 WeakPolarHBondContact CA-O 3.5Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.67Å; L51-M62 HydrophobicContact CD2-SD 3.97Å
52T98.3Very high96.6Very high68 Ų6858.3 Ų58.342%0.41731%0.311SS..EExtended strand (participates in β ladder)trans-137.5166.8175.663.90000110.8T50 Y61T50-T52 HydrophobicContact CG2-CG2 4.26Å; T52-Y61 PolarHBondContact N-O 2.79Å; T52-Y61 PolarHBondContact O-N 3.45Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.25Å
53V98.1Very high96.7Very high39 Ų3962.4 Ų62.424%0.23633%0.329CS..EExtended strand (participates in β ladder)trans-138.1143.6179.2-67.40000110.6F10 I32 P34 A60F10-V53 HydrophobicContact CZ-CG1 4.41Å; I32-V53 HydrophobicContact CD1-CG1 3.88Å; I32-V53 HydrophobicContact CD1-CG2 4.47Å; I32-V53 HydrophobicContact CG1-CG1 3.95Å; I32-V53 HydrophobicContact CG2-CG1 3.79Å; P34-V53 HydrophobicContact CB-CB 4.39Å; P34-V53 HydrophobicContact CB-CG1 4.07Å; P34-V53 HydrophobicContact CG-CG1 4.25Å; V53-A60 HydrophobicContact CG1-CB 4.23Å
54D97.6Very high96.8Very high53 Ų5357.9 Ų57.928%0.28331%0.309SS..EExtended strand (participates in β ladder)trans-114.5108.6164.5174.79.4000108.5S56 S57 S58 T59 Y61D54-S56 VanDerWaalsContact C-N 3.3Å; D54-S56 PolarHBondContact O-N 3.16Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.08Å; D54-S56 PolarHBondContact OD2-OG 3.28Å; D54-S57 PolarHBondContact OD1-N 2.86Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.45Å; D54-S57 PolarHBondContact OD2-OG 2.83Å; D54-S58 PolarHBondContact O-N 3.21Å; D54-S58 VanDerWaalsContact O-N 3.14Å; D54-T59 PolarHBondContact N-O 3.15Å; D54-T59 PolarHBondContact O-N 2.88Å; D54-Y61 HydrophobicContact CB-CE2 3.81Å
55K95.8Very high96.9Very high109 Ų10953.2 Ų53.247%0.47429%0.294SS..THydrogen-bonded Turntrans-67.7-32.9-179.1-56.9-176.3-169.7-166.30111.6P34 N35 S58P34-K55 WeakPolarHBondContact O-CE 3.4Å; N35-K55 PolarHBondContact O-NZ 2.85Å; K55-S58 PolarHBondContact O-N 3.05Å
56S95.6Very high96.8Very high111 Ų11157.5 Ų57.578%0.77633%0.326SS*.THydrogen-bonded Turntrans-68.2-40.5-174.972.50000111.8D54D54-S56 VanDerWaalsContact C-N 3.3Å; D54-S56 PolarHBondContact O-N 3.16Å; D54-S56 WeakPolarHBondContact OD1-CB 3.49Å; D54-S56 PolarHBondContact OD1-N 3.27Å; D54-S56 PolarHBondContact OD1-OG 3.08Å; D54-S56 PolarHBondContact OD2-OG 3.28Å
57S97.1Very high96.8Very high36 Ų3654.9 Ų54.925%0.25232%0.317SS..THydrogen-bonded Turntrans-91.6-1.8176.566.70000113.9D54 T59D54-S57 PolarHBondContact OD1-N 2.86Å; D54-S57 VanDerWaalsContact OD2-CB 3.26Å; D54-S57 WeakPolarHBondContact OD2-CB 3.45Å; D54-S57 PolarHBondContact OD2-OG 2.83Å; S57-T59 VanDerWaalsContact C-N 3.29Å; S57-T59 PolarHBondContact O-N 2.91Å; S57-T59 PolarHBondContact O-OG1 3.38Å; S57-T59 WeakPolarHBondContact OG-CB 3.24Å; S57-T59 PolarHBondContact OG-OG1 2.83Å
58S97.4Very high96.8Very high41 Ų4153 Ų5329%0.28730%0.302SS..THydrogen-bonded Turntrans53.444.8-172.4-640000112.8A5 F10 D54 K55A5-S58 WeakPolarHBondContact CB-O 3.43Å; A5-S58 PolarHBondContact N-O 3.16Å; F10-S58 VanDerWaalsContact CD1-CA 3.47Å; D54-S58 PolarHBondContact O-N 3.21Å; D54-S58 VanDerWaalsContact O-N 3.14Å; K55-S58 PolarHBondContact O-N 3.05Å
59T98.3Very high96.8Very high7 Ų754.3 Ų54.34%0.04332%0.317CS..EExtended strand (participates in β ladder)trans-121.8129.9-174.4-50.90000111C3 K4 D54 S57 Y61C3-T59 WeakPolarHBondContact O-CA 3.07Å; K4-T59 HydrophobicContact CB-CG2 4.43Å; D54-T59 PolarHBondContact N-O 3.15Å; D54-T59 PolarHBondContact O-N 2.88Å; S57-T59 VanDerWaalsContact C-N 3.29Å; S57-T59 PolarHBondContact O-N 2.91Å; S57-T59 PolarHBondContact O-OG1 3.38Å; S57-T59 WeakPolarHBondContact OG-CB 3.24Å; S57-T59 PolarHBondContact OG-OG1 2.83Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.29Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.68Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.21Å
60A98.2Very high96.5Very high0 Ų060.5 Ų60.50%035%0.345CS..EExtended strand (participates in β ladder)trans-95147.2166.300000109.8S2 C3 F10 I15 W17 V53S2-A60 CarbonylContact C-O 3.6Å; S2-A60 WeakPolarHBondContact CA-O 3.45Å; C3-A60 PolarHBondContact N-O 3.25Å; C3-A60 PolarHBondContact O-N 3.01Å; F10-A60 HydrophobicContact CE2-CB 4.39Å; F10-A60 HydrophobicContact CZ-CB 4.02Å; I15-A60 HydrophobicContact CB-CB 4.13Å; I15-A60 HydrophobicContact CG1-CB 4.2Å; I15-A60 HydrophobicContact CG2-CB 3.81Å; W17-A60 HydrophobicContact CZ2-CB 4.31Å; V53-A60 HydrophobicContact CG1-CB 4.23Å
61Y98.5Very high96.4Very high81 Ų8157.5 Ų57.532%0.31833%0.327SS..EExtended strand (participates in β ladder)trans-127.6147.5178.7-58-90.5000110.9L1 S2 L51 T52 D54 T59L1-Y61 VanDerWaalsContact O-CA 3.3Å; L1-Y61 WeakPolarHBondContact O-CA 3.44Å; S2-Y61 VanDerWaalsContact CB-CE1 3.48Å; L51-Y61 WeakPolarHBondContact CA-O 3.5Å; T52-Y61 PolarHBondContact N-O 2.79Å; T52-Y61 PolarHBondContact O-N 3.45Å; T52-Y61 WeakPolarHBondContact OG1-CB 3.25Å; D54-Y61 HydrophobicContact CB-CE2 3.81Å; T59-Y61 HydrophobicContact CG2-CD1 4.31Å; T59-Y61 HydrophobicContact CG2-CD2 4.29Å; T59-Y61 HydrophobicContact CG2-CE1 3.71Å; T59-Y61 HydrophobicContact CG2-CE2 3.68Å; T59-Y61 WeakPolarHBondContact CG2-OH 3.21Å
62M98.3Very high96.3Very high2 Ų258.6 Ų58.61%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-126117.7166.1177.3169.570.300108.3L1 W17 I29 A49 T50 L51 L64 Y75L1-M62 HydrophobicContact CB-CB 4.47Å; L1-M62 HydrophobicContact CD1-CE 3.38Å; L1-M62 PolarHBondContact N-O 3.23Å; L1-M62 PolarHBondContact O-N 2.78Å; W17-M62 HydrophobicContact CB-CE 4.23Å; W17-M62 HydrophobicContact CB-SD 3.76Å; W17-M62 HydrophobicContact CD2-CB 3.69Å; W17-M62 HydrophobicContact CD2-CE 4.04Å; W17-M62 HydrophobicContact CD2-CG 4.48Å; W17-M62 HydrophobicContact CD2-SD 4.02Å; W17-M62 HydrophobicContact CE3-CB 3.96Å; W17-M62 HydrophobicContact CE3-CE 3.58Å; W17-M62 HydrophobicContact CE3-SD 4.2Å; W17-M62 HydrophobicContact CG-CB 4.2Å; W17-M62 HydrophobicContact CG-CE 4.34Å; W17-M62 HydrophobicContact CG-SD 3.85Å; W17-M62 HydrophobicContact CH2-CB 4.12Å; W17-M62 HydrophobicContact CZ2-CB 3.88Å; W17-M62 HydrophobicContact CZ3-CB 4.17Å; W17-M62 HydrophobicContact CZ3-CE 4.25Å; I29-M62 HydrophobicContact CB-SD 4.48Å; I29-M62 HydrophobicContact CD1-CE 3.65Å; I29-M62 HydrophobicContact CD1-SD 3.74Å; I29-M62 HydrophobicContact CG2-SD 3.79Å; A49-M62 HydrophobicContact CB-CG 4.37Å; A49-M62 HydrophobicContact CB-SD 4.28Å; T50-M62 WeakPolarHBondContact O-CA 2.97Å; L51-M62 HydrophobicContact CD2-CB 3.72Å; L51-M62 HydrophobicContact CD2-CG 3.67Å; L51-M62 HydrophobicContact CD2-SD 3.97Å; M62-L64 HydrophobicContact CE-CD1 4.33Å; M62-L64 HydrophobicContact CE-CD2 4.29Å; M62-L64 HydrophobicContact CE-CG 4.41Å; M62-L64 HydrophobicContact CG-CD2 4.21Å; M62-L64 HydrophobicContact CG-CG 4.34Å; M62-L64 HydrophobicContact SD-CD2 4.17Å; M62-Y75 HydrophobicContact CE-CD1 3.55Å; M62-Y75 HydrophobicContact CE-CE1 4.12Å; M62-Y75 HydrophobicContact CE-CG 4.38Å
63Q98.1Very high96.3Very high132 Ų13255.6 Ų55.662%0.61732%0.317SS*.EExtended strand (participates in β ladder)trans-92.2132.9168.6-175.3175.19.400108.3A49 T50A49-Q63 CarbonylContact C-O 3.46Å; A49-Q63 WeakPolarHBondContact CA-O 3.44Å; T50-Q63 PolarHBondContact N-O 2.97Å; T50-Q63 PolarHBondContact O-N 2.92Å
64L96.8Very high96.3Very high35 Ų3555.8 Ų55.818%0.18332%0.319CS..EExtended strand (participates in β ladder)trans-111.6136.1175.1-66.7169.8000109L1 K48 A49 M62 L67 Y75L1-L64 HydrophobicContact CD1-CD1 3.93Å; K48-L64 CarbonylContact O-C 3.58Å; K48-L64 VanDerWaalsContact O-CA 3.28Å; K48-L64 WeakPolarHBondContact O-CA 3.46Å; A49-L64 HydrophobicContact CB-CD2 4Å; M62-L64 HydrophobicContact CE-CD1 4.33Å; M62-L64 HydrophobicContact CE-CD2 4.29Å; M62-L64 HydrophobicContact CE-CG 4.41Å; M62-L64 HydrophobicContact CG-CD2 4.21Å; M62-L64 HydrophobicContact CG-CG 4.34Å; M62-L64 HydrophobicContact SD-CD2 4.17Å; L64-L67 HydrophobicContact CB-CD1 3.94Å; L64-L67 HydrophobicContact CB-CD2 3.89Å; L64-L67 HydrophobicContact CB-CG 4.07Å; L64-L67 HydrophobicContact CD1-CD1 4.48Å; L64-L67 HydrophobicContact CD1-CD2 4.21Å; L64-L67 HydrophobicContact CG-CD2 4.48Å; L64-Y75 HydrophobicContact CD1-CD1 4.29Å; L64-Y75 HydrophobicContact CD1-CE1 3.71Å; L64-Y75 HydrophobicContact CD1-CE2 4.38Å
65S95.4Very high96.3Very high48 Ų4853.5 Ų53.534%0.33631%0.306SS..  trans-127.5158.4178.257.40000111K48 L67K48-S65 PolarHBondContact O-N 2.86Å; K48-S65 PolarHBondContact O-OG 2.8Å; S65-L67 VanDerWaalsContact C-N 3.25Å; S65-L67 PolarHBondContact O-N 2.87Å
66S92.9Very high96.4Very high103 Ų10350.4 Ų50.472%0.7229%0.291SS*.SBendtrans52.143.1176.2-53.10000113.4
67L93.5Very high96.5Very high59 Ų5945.9 Ų45.931%0.30926%0.26SS..  trans-71140.9-178-71175.4000111.5L64 S65 D71 V100L64-L67 HydrophobicContact CB-CD1 3.94Å; L64-L67 HydrophobicContact CB-CD2 3.89Å; L64-L67 HydrophobicContact CB-CG 4.07Å; L64-L67 HydrophobicContact CD1-CD1 4.48Å; L64-L67 HydrophobicContact CD1-CD2 4.21Å; L64-L67 HydrophobicContact CG-CD2 4.48Å; S65-L67 VanDerWaalsContact C-N 3.25Å; S65-L67 PolarHBondContact O-N 2.87Å; L67-D71 HydrophobicContact CB-CB 4.46Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; L67-V100 HydrophobicContact CB-CG1 4.28Å; L67-V100 HydrophobicContact CB-CG2 4.01Å; L67-V100 HydrophobicContact CD1-CG2 4.13Å
68T94.6Very high96.5Very high63 Ų6344.4 Ų44.439%0.38725%0.25SC..  trans-115.7173.1171.766.60000110.6E70 D71 V100T68-E70 PolarHBondContact O-N 2.95Å; T68-D71 PolarHBondContact N-OD2 3.44Å; T68-D71 VanDerWaalsContact N-OD2 3.12Å; T68-D71 WeakPolarHBondContact O-CA 3.42Å; T68-D71 WeakPolarHBondContact O-CB 3.3Å; T68-D71 PolarHBondContact O-N 3.36Å; T68-V100 WeakPolarHBondContact O-CB 3.11Å; T68-V100 WeakPolarHBondContact O-CG1 3.43Å
69S94.7Very high96.2Very high74 Ų7444 Ų4452%0.51724%0.242SC..G310 helixtrans-56.7-30.9176.554.50000113.2D71 S72 V100S69-D71 PolarHBondContact O-N 2.94Å; S69-S72 VanDerWaalsContact O-CB 3.3Å; S69-S72 WeakPolarHBondContact O-CB 2.9Å; S69-S72 PolarHBondContact O-N 2.94Å; S69-S72 VanDerWaalsContact O-N 3.09Å; S69-S72 PolarHBondContact O-OG 2.99Å; S69-V100 WeakPolarHBondContact CA-O 3.4Å
70E91.7Very high95.7Very high132 Ų13244.5 Ų44.562%0.61725%0.246SC*.G310 helixtrans-66.5-12.9173.8-58.8-175.9173.800113.8K19 R21 T68 S72K19-E70 PolarHBondContact NZ-O 3.01Å; R21-E70 VanDerWaalsContact CZ-O 3.24Å; R21-E70 PolarHBondContact NE-O 2.81Å; R21-E70 PolarHBondContact NH2-O 2.88Å; T68-E70 PolarHBondContact O-N 2.95Å; E70-S72 VanDerWaalsContact C-N 3.32Å
71D94.6Very high94.7Very high5 Ų546 Ų463%0.02725%0.254CS..G310 helixtrans-84.7-7.3173.9-65.3-49000113.7K19 K48 L67 T68 S69 A73 Y75K19-D71 WeakPolarHBondContact CE-O 3.19Å; K19-D71 IonicContact NZ-OD1 2.74Å; K19-D71 PolarHBondContact NZ-OD1 2.87Å; K19-D71 VanDerWaalsContact NZ-OD1 3.09Å; K48-D71 IonicContact NZ-OD1 3.38Å; K48-D71 PolarHBondContact NZ-OD1 2.99Å; K48-D71 IonicContact NZ-OD2 2.83Å; K48-D71 PolarHBondContact NZ-OD2 3.05Å; L67-D71 HydrophobicContact CB-CB 4.46Å; L67-D71 HydrophobicContact CD2-CB 3.48Å; L67-D71 VanDerWaalsContact CD2-CB 3.48Å; T68-D71 PolarHBondContact N-OD2 3.44Å; T68-D71 VanDerWaalsContact N-OD2 3.12Å; T68-D71 WeakPolarHBondContact O-CA 3.42Å; T68-D71 WeakPolarHBondContact O-CB 3.3Å; T68-D71 PolarHBondContact O-N 3.36Å; S69-D71 PolarHBondContact O-N 2.94Å; D71-A73 PolarHBondContact O-N 2.98Å; D71-A73 VanDerWaalsContact O-N 3.17Å; D71-Y75 PolarHBondContact O-OH 2.9Å
72S96.9Very high93.2Very high32 Ų3248.8 Ų48.822%0.22427%0.266CS..  trans-60.2118.8173.6-58.40000111.5S69 E70 V98 V100S69-S72 VanDerWaalsContact O-CB 3.3Å; S69-S72 WeakPolarHBondContact O-CB 2.9Å; S69-S72 PolarHBondContact O-N 2.94Å; S69-S72 VanDerWaalsContact O-N 3.09Å; S69-S72 PolarHBondContact O-OG 2.99Å; E70-S72 VanDerWaalsContact C-N 3.32Å; S72-V98 VanDerWaalsContact CA-O 3.26Å; S72-V98 WeakPolarHBondContact CA-O 3.26Å; S72-V100 PolarHBondContact OG-N 2.64Å; S72-V100 PolarHBondContact OG-O 2.88Å
73A97.6Very high91.2Very high6 Ų657.9 Ų57.95%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-170169.6-172.400000111.4K19 Q20 R21 D71 Y75 V98K19-A73 HydrophobicContact CD-CB 4.04Å; K19-A73 VanDerWaalsContact CE-CB 3.48Å; K19-A73 HydrophobicContact CG-CB 3.38Å; Q20-A73 WeakPolarHBondContact O-CA 3.39Å; Q20-A73 VanDerWaalsContact O-CB 3.25Å; Q20-A73 WeakPolarHBondContact O-CB 3.47Å; R21-A73 HydrophobicContact CG-CB 4.15Å; D71-A73 PolarHBondContact O-N 2.98Å; D71-A73 VanDerWaalsContact O-N 3.17Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.86Å; A73-Y75 WeakPolarHBondContact O-CD2 3.44Å; A73-V98 PolarHBondContact N-O 2.76Å; A73-V98 PolarHBondContact O-N 3.48Å
74V98.4Very high88.9Confident43 Ų4356.3 Ų56.326%0.26131%0.305SS..EExtended strand (participates in β ladder)trans-88.1130.2161.6-171.50000108.6K19 Q20 Y76 T96K19-V74 CarbonylContact C-O 3.59Å; Q20-V74 PolarHBondContact N-O 3.2Å; Q20-V74 PolarHBondContact O-N 2.85Å; V74-Y76 HydrophobicContact CB-CE2 3.85Å; V74-Y76 HydrophobicContact CG1-CD1 4.41Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.73Å; V74-Y76 HydrophobicContact CG1-CE2 3.66Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.28Å; V74-T96 WeakPolarHBondContact CA-O 3.49Å
75Y98.4Very high86.8Confident5 Ų562.9 Ų62.92%0.0234%0.34CS..EExtended strand (participates in β ladder)trans-109.4129.3178.6-71-97.4000110.1L1 V18 K19 I29 M62 L64 D71 A73 G95 T96 V98L1-Y75 HydrophobicContact CD1-CD1 3.99Å; L1-Y75 HydrophobicContact CD1-CD2 4.35Å; L1-Y75 HydrophobicContact CD1-CG 3.73Å; V18-Y75 CarbonylContact O-C 3.55Å; V18-Y75 WeakPolarHBondContact O-CA 3.4Å; K19-Y75 HydrophobicContact CB-CD1 4.22Å; K19-Y75 HydrophobicContact CB-CE1 4.06Å; K19-Y75 HydrophobicContact CD-CE1 4.08Å; K19-Y75 HydrophobicContact CG-CD1 4.34Å; K19-Y75 HydrophobicContact CG-CE1 3.89Å; K19-Y75 HydrophobicContact CG-CE2 4.43Å; I29-Y75 HydrophobicContact CD1-CD1 3.69Å; I29-Y75 HydrophobicContact CD1-CE1 3.75Å; M62-Y75 HydrophobicContact CE-CD1 3.55Å; M62-Y75 HydrophobicContact CE-CE1 4.12Å; M62-Y75 HydrophobicContact CE-CG 4.38Å; L64-Y75 HydrophobicContact CD1-CD1 4.29Å; L64-Y75 HydrophobicContact CD1-CE1 3.71Å; L64-Y75 HydrophobicContact CD1-CE2 4.38Å; D71-Y75 PolarHBondContact O-OH 2.9Å; A73-Y75 HydrophobicContact CB-CD2 4.32Å; A73-Y75 HydrophobicContact CB-CE2 3.86Å; A73-Y75 WeakPolarHBondContact O-CD2 3.44Å; Y75-G95 CarbonylContact O-C 3.44Å; Y75-G95 WeakPolarHBondContact O-CA 3.48Å; Y75-T96 PolarHBondContact N-O 2.91Å; Y75-T96 PolarHBondContact O-N 3.33Å; Y75-V98 HydrophobicContact CD2-CB 3.86Å; Y75-V98 HydrophobicContact CD2-CG2 3.66Å; Y75-V98 HydrophobicContact CE2-CB 3.75Å; Y75-V98 HydrophobicContact CE2-CG1 4.48Å; Y75-V98 HydrophobicContact CE2-CG2 3.99Å
76Y98.3Very high84.8Confident43 Ų4363.7 Ų63.717%0.16935%0.346CS..EExtended strand (participates in β ladder)trans-116.8148.7-178.5-54.1-89.7000110.4W17 V18 Q20 L26 V74 W92W17-Y76 WeakPolarHBondContact CA-O 3.16Å; V18-Y76 PolarHBondContact N-O 3.44Å; V18-Y76 PolarHBondContact O-N 3.15Å; Q20-Y76 HydrophobicContact CB-CD2 4.48Å; Q20-Y76 HydrophobicContact CB-CE2 3.73Å; Q20-Y76 PolarHBondContact OE1-OH 3.18Å; L26-Y76 HydrophobicContact CD2-CE2 4.47Å; V74-Y76 HydrophobicContact CB-CE2 3.85Å; V74-Y76 HydrophobicContact CG1-CD1 4.41Å; V74-Y76 HydrophobicContact CG1-CD2 4.33Å; V74-Y76 HydrophobicContact CG1-CE1 3.73Å; V74-Y76 HydrophobicContact CG1-CE2 3.66Å; V74-Y76 WeakPolarHBondContact CG1-OH 3.28Å; Y76-W92 HydrophobicContact CD1-CE3 4.48Å; Y76-W92 HydrophobicContact CG-CE3 4.08Å; Y76-W92 HydrophobicContact CG-CZ3 4.26Å
77C97.4Very high83.4Confident17 Ų1769.4 Ų69.412%0.11535%0.353CS..EExtended strand (participates in β ladder)trans-102.6148.7156.962.10000109.5C3 I15 H16 W17 G93C3-C77 HydrophobicContact CB-CB 3.43Å; C3-C77 VanDerWaalsContact CB-CB 3.43Å; C3-C77 WeakPolarHBondContact CB-SG 3.24Å; C3-C77 WeakPolarHBondContact SG-CB 3.25Å; C3-C77 CovalentContact SG-SG 2.03Å; C3-C77 PolarHBondContact SG-SG 3.03Å; I15-C77 HydrophobicContact CG2-CB 4.3Å; H16-C77 CarbonylContact O-C 3.6Å; H16-C77 WeakPolarHBondContact O-CA 3.36Å; W17-C77 HydrophobicContact CD2-CB 4.47Å; W17-C77 HydrophobicContact CE3-CB 4.23Å; W17-C77 HydrophobicContact CH2-CB 4.37Å; W17-C77 HydrophobicContact CZ3-CB 4.18Å; C77-G93 PolarHBondContact O-N 3.48Å
78A96.2Very high82.3Confident5 Ų568.3 Ų68.34%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-144.5160.917700000111.6H16 M89 Y91 W92H16-A78 PolarHBondContact N-O 2.82Å; H16-A78 PolarHBondContact O-N 2.8Å; A78-M89 HydrophobicContact CB-CB 4.05Å; A78-M89 HydrophobicContact CB-CG 4.36Å; A78-M89 HydrophobicContact CB-SD 4.03Å; A78-Y91 CarbonylContact C-O 3.58Å; A78-Y91 WeakPolarHBondContact CA-O 3.32Å; A78-Y91 WeakPolarHBondContact CB-O 3.39Å; A78-W92 HydrophobicContact CB-CD2 3.7Å; A78-W92 HydrophobicContact CB-CE3 3.91Å; A78-W92 HydrophobicContact CB-CG 4.12Å; A78-W92 HydrophobicContact CB-CH2 4.37Å; A78-W92 HydrophobicContact CB-CZ2 4.19Å; A78-W92 HydrophobicContact CB-CZ3 4.25Å
79R92.2Very high81.7Confident31 Ų3167.9 Ų67.912%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-136.5150.8171.667.4163.4-175.2147.10.3111.5Y8 I15 D90 Y91Y8-R79 VanDerWaalsContact CD2-NH1 3.32Å; Y8-R79 VanDerWaalsContact CZ-CD 3.49Å; I15-R79 HydrophobicContact CD1-CB 4.35Å; R79-D90 PolarHBondContact O-N 3.03Å; R79-Y91 HydrophobicContact CG-CD2 3.97Å; R79-Y91 HydrophobicContact CG-CG 4.28Å; R79-Y91 PolarHBondContact N-O 3.14Å; R79-Y91 PolarHBondContact O-N 3.31Å
80P86.3Confident81.2Confident19 Ų1967.7 Ų67.712%0.12334%0.34CS..EExtended strand (participates in β ladder)trans-79.5160.617233.3-34.7000112.5Y13 W14 A88Y13-P80 WeakPolarHBondContact CD1-O 3.45Å; W14-P80 WeakPolarHBondContact O-CD 3.38Å; P80-A88 VanDerWaalsContact CA-O 3.26Å; P80-A88 WeakPolarHBondContact CA-O 3.49Å; P80-A88 WeakPolarHBondContact CB-O 3.5Å
81T77.7Confident81.2Confident30 Ų3067.2 Ų67.218%0.18433%0.334CS..  trans-86.9156157.9620000110.9Y83 D90 Y91T81-Y83 VanDerWaalsContact C-N 3.32Å; T81-D90 WeakPolarHBondContact CB-OD2 3.48Å; T81-D90 HydrophobicContact CG2-CB 3.64Å; T81-D90 WeakPolarHBondContact CG2-OD2 3.49Å; T81-D90 PolarHBondContact N-OD2 3.2Å; T81-D90 PolarHBondContact OG1-OD2 3.45Å; T81-Y91 HydrophobicContact CG2-CD2 4.08Å; T81-Y91 HydrophobicContact CG2-CE2 3.33Å
82Y67.9Low81.2Confident141 Ų14171.7 Ų71.755%0.55335%0.35SS*.  trans-89.815.1174.3-86.1-73000113.9N12 Y13 S84N12-Y82 WeakPolarHBondContact O-CE2 3.17Å; N12-Y82 PolarHBondContact O-OH 3.17Å; Y13-Y82 AromaticContact CD1-CD2 3.75Å; Y13-Y82 HydrophobicContact CD1-CD2 3.75Å; Y13-Y82 AromaticContact CD1-CE2 3.55Å; Y13-Y82 HydrophobicContact CD1-CE2 3.55Å; Y13-Y82 AromaticContact CE1-CD2 3.27Å; Y13-Y82 HydrophobicContact CE1-CD2 3.27Å; Y13-Y82 AromaticContact CE1-CE2 3.56Å; Y13-Y82 HydrophobicContact CE1-CE2 3.56Å; Y13-Y82 HydrophobicContact CE1-CG 4.44Å; Y13-Y82 HydrophobicContact CG-CE2 4.11Å; Y13-Y82 AromaticContact CZ-CD2 3.78Å; Y82-S84 PolarHBondContact O-N 3.36Å; Y82-S84 VanDerWaalsContact O-N 3.16Å
83Y56.7Low81.2Confident192 Ų19271.4 Ų71.475%0.75335%0.353SS*.SBendtrans-83.5100.5-178.1-73.7-78000110.7T81T81-Y83 VanDerWaalsContact C-N 3.32Å
84S49.7Very low81.2Confident99 Ų9980 Ų8069%0.69239%0.392SS*.THydrogen-bonded Turntrans49.898.7162.859.90000116.7Y82 S86Y82-S84 PolarHBondContact O-N 3.36Å; Y82-S84 VanDerWaalsContact O-N 3.16Å; S84-S86 PolarHBondContact O-N 2.82Å
85N50.8Low81.1Confident174 Ų17479.1 Ų79.193%0.9339%0.391SS*.THydrogen-bonded Turntrans50.110.4162.3-68.9-8.6000118.3
86S54.3Low81.1Confident65 Ų6582.6 Ų82.646%0.45541%0.413SS..  trans-105.7117.7179.6174.20000109.5S84 A88S84-S86 PolarHBondContact O-N 2.82Å; S86-A88 PolarHBondContact O-N 2.86Å; S86-A88 WeakPolarHBondContact OG-CB 3.21Å
87Y63.5Low81Confident223 Ų22384.4 Ų84.488%0.87543%0.432SS*.  trans-83.527.4175.3-63.1-84.2000112.5
88A70.8Confident81Confident36 Ų3685 Ų8530%0.29844%0.435SS..  trans-69.2135.9-178.600000110.6P80 S86 D90P80-A88 VanDerWaalsContact CA-O 3.26Å; P80-A88 WeakPolarHBondContact CA-O 3.49Å; P80-A88 WeakPolarHBondContact CB-O 3.5Å; S86-A88 PolarHBondContact O-N 2.86Å; S86-A88 WeakPolarHBondContact OG-CB 3.21Å; A88-D90 WeakPolarHBondContact CB-OD1 3.41Å; A88-D90 PolarHBondContact O-N 3.49Å
89M82Confident81.1Confident53 Ų5390.3 Ų90.326%0.26147%0.467SS..EExtended strand (participates in β ladder)trans-81.694.6167.9-66-177.2-16000107.4H16 V18 A78 W92H16-M89 HydrophobicContact CB-CE 3.92Å; H16-M89 HydrophobicContact CB-SD 3.88Å; H16-M89 WeakPolarHBondContact ND1-CE 3.38Å; V18-M89 HydrophobicContact CG2-SD 4.05Å; A78-M89 HydrophobicContact CB-CB 4.05Å; A78-M89 HydrophobicContact CB-CG 4.36Å; A78-M89 HydrophobicContact CB-SD 4.03Å; M89-W92 HydrophobicContact CB-CZ2 3.71Å; M89-W92 HydrophobicContact CG-CZ2 4.45Å; M89-W92 PolarHBondContact O-NE1 3.45Å; M89-W92 HydrophobicContact SD-CH2 4.13Å; M89-W92 HydrophobicContact SD-CZ2 3.96Å
90D84.4Confident81.2Confident71 Ų7190.3 Ų90.338%0.3847%0.47SS..EExtended strand (participates in β ladder)trans-87.5-29.6-170.5-56.9-61.6000113.1R79 T81 A88R79-D90 PolarHBondContact O-N 3.03Å; T81-D90 WeakPolarHBondContact CB-OD2 3.48Å; T81-D90 HydrophobicContact CG2-CB 3.64Å; T81-D90 WeakPolarHBondContact CG2-OD2 3.49Å; T81-D90 PolarHBondContact N-OD2 3.2Å; T81-D90 PolarHBondContact OG1-OD2 3.45Å; A88-D90 WeakPolarHBondContact CB-OD1 3.41Å; A88-D90 PolarHBondContact O-N 3.49Å
91Y91.3Very high81.5Confident122 Ų12294.5 Ų94.548%0.47850%0.5SS..EExtended strand (participates in β ladder)trans-115.4127.1-179.2-59.3-81.2000110.9A78 R79 T81A78-Y91 CarbonylContact C-O 3.58Å; A78-Y91 WeakPolarHBondContact CA-O 3.32Å; A78-Y91 WeakPolarHBondContact CB-O 3.39Å; R79-Y91 HydrophobicContact CG-CD2 3.97Å; R79-Y91 HydrophobicContact CG-CG 4.28Å; R79-Y91 PolarHBondContact N-O 3.14Å; R79-Y91 PolarHBondContact O-N 3.31Å; T81-Y91 HydrophobicContact CG2-CD2 4.08Å; T81-Y91 HydrophobicContact CG2-CE2 3.33Å
92W95.6Very high81.7Confident98 Ų98101.6 Ų101.637%0.37155%0.551SS.*EExtended strand (participates in β ladder)trans-121.2141.5-178-67.673.7000111V18 L26 Y76 A78 M89V18-W92 HydrophobicContact CB-CH2 4.08Å; V18-W92 HydrophobicContact CB-CZ3 3.81Å; V18-W92 HydrophobicContact CG1-CH2 4.02Å; V18-W92 HydrophobicContact CG1-CZ3 3.99Å; V18-W92 HydrophobicContact CG2-CH2 3.77Å; V18-W92 HydrophobicContact CG2-CZ3 3.89Å; L26-W92 HydrophobicContact CD1-CH2 3.84Å; L26-W92 HydrophobicContact CD1-CZ2 4.34Å; L26-W92 HydrophobicContact CD1-CZ3 4.43Å; L26-W92 HydrophobicContact CD2-CH2 4.49Å; L26-W92 HydrophobicContact CD2-CZ3 4.38Å; Y76-W92 HydrophobicContact CD1-CE3 4.48Å; Y76-W92 HydrophobicContact CG-CE3 4.08Å; Y76-W92 HydrophobicContact CG-CZ3 4.26Å; A78-W92 HydrophobicContact CB-CD2 3.7Å; A78-W92 HydrophobicContact CB-CE3 3.91Å; A78-W92 HydrophobicContact CB-CG 4.12Å; A78-W92 HydrophobicContact CB-CH2 4.37Å; A78-W92 HydrophobicContact CB-CZ2 4.19Å; A78-W92 HydrophobicContact CB-CZ3 4.25Å; M89-W92 HydrophobicContact CB-CZ2 3.71Å; M89-W92 HydrophobicContact CG-CZ2 4.45Å; M89-W92 PolarHBondContact O-NE1 3.45Å; M89-W92 HydrophobicContact SD-CH2 4.13Å; M89-W92 HydrophobicContact SD-CZ2 3.96Å
93G96.2Very high82.4Confident27 Ų2799.6 Ų99.628%0.27855%0.551SS.*  trans-69161.916200000110.9C77 G95C77-G93 PolarHBondContact O-N 3.48Å; G93-G95 PolarHBondContact O-N 2.59Å; G93-G95 VanDerWaalsContact O-N 3.08Å
94Q96.6Very high83.8Confident187 Ų18794.7 Ų94.787%0.87454%0.54SS*.  trans-63.5-16.2-180-63.7-59.9-49.600113.9
95G97.1Very high85.7Confident24 Ų2494.5 Ų94.525%0.24753%0.532CS..  trans86.5159.9-175.800000112.7Y75 G93Y75-G95 CarbonylContact O-C 3.44Å; Y75-G95 WeakPolarHBondContact O-CA 3.48Å; G93-G95 PolarHBondContact O-N 2.59Å; G93-G95 VanDerWaalsContact O-N 3.08Å
96T97.8Very high87.7Confident77 Ų7789.8 Ų89.847%0.47251%0.508SS..EExtended strand (participates in β ladder)trans-135.4127174.3-73.70000109.1L1 V74 Y75L1-T96 HydrophobicContact CD2-CG2 3.66Å; V74-T96 WeakPolarHBondContact CA-O 3.49Å; Y75-T96 PolarHBondContact N-O 2.91Å; Y75-T96 PolarHBondContact O-N 3.33Å
97S97.8Very high89.8Confident81 Ų8191.4 Ų91.457%0.56651%0.511SS*.EExtended strand (participates in β ladder)trans-72.5127.1173.1-169.80000109.6
98V97.2Very high91.6Very high31 Ų3182.6 Ų82.619%0.18849%0.487CS..EExtended strand (participates in β ladder)trans-115.4123.5167.9179.20000106.7L1 S72 A73 Y75 V100L1-V98 HydrophobicContact CD1-CG2 4.41Å; L1-V98 HydrophobicContact CD2-CG2 4.02Å; S72-V98 VanDerWaalsContact CA-O 3.26Å; S72-V98 WeakPolarHBondContact CA-O 3.26Å; A73-V98 PolarHBondContact N-O 2.76Å; A73-V98 PolarHBondContact O-N 3.48Å; Y75-V98 HydrophobicContact CD2-CB 3.86Å; Y75-V98 HydrophobicContact CD2-CG2 3.66Å; Y75-V98 HydrophobicContact CE2-CB 3.75Å; Y75-V98 HydrophobicContact CE2-CG1 4.48Å; Y75-V98 HydrophobicContact CE2-CG2 3.99Å; V98-V100 HydrophobicContact CG1-CG2 4.23Å
99T96.9Very high93Very high115 Ų11585.9 Ų85.971%0.70650%0.501SS*.  trans-114.8128.9177.4-55.10000108.5
100V95.7Very high93.9Very high31 Ų3188.5 Ų88.519%0.18852%0.519CS..  trans-121.3114178.7-173.50000106.9L67 T68 S69 S72 V98L67-V100 HydrophobicContact CB-CG1 4.28Å; L67-V100 HydrophobicContact CB-CG2 4.01Å; L67-V100 HydrophobicContact CD1-CG2 4.13Å; T68-V100 WeakPolarHBondContact O-CB 3.11Å; T68-V100 WeakPolarHBondContact O-CG1 3.43Å; S69-V100 WeakPolarHBondContact CA-O 3.4Å; S72-V100 PolarHBondContact OG-N 2.64Å; S72-V100 PolarHBondContact OG-O 2.88Å; V98-V100 HydrophobicContact CG1-CG2 4.23Å
101S92.3Very high94.7Very high107 Ų10789.9 Ų89.975%0.74853%0.531SS*.  trans-103.8148.1173.955.40000110
102S81.9Confident95Very high179 Ų17987 Ų87100%1.25254%0.536SS*.  trans-70.60170.356.50000112.4

Retrieved 102 of 102 residues in 22.9 ms (Link to these results)

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