X5J5P2_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5P2, 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
1P63.1Low89.3Confident144 Ų14480.8 Ų80.894%0.93547%0.467SS*.  0116.20-1430.7000109.5T102P1-T102 CarbonylContact C-O 3.37Å; P1-T102 VanDerWaalsContact CA-O 3.25Å; P1-T102 WeakPolarHBondContact CA-O 3.45Å; P1-T102 HydrophobicContact CB-CG2 4.4Å
2E79.2Confident89.9Confident90 Ų9074.8 Ų74.842%0.42143%0.431SS..EExtended strand (participates in β ladder)trans-93.8122.8177.7-163.3177.316400109V4 V10 T102 L103 T104E2-V4 HydrophobicContact CG-CG1 3.87Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å; E2-T102 PolarHBondContact N-O 3.29Å; E2-L103 HydrophobicContact CB-CD1 4.15Å; E2-T104 PolarHBondContact O-N 2.91Å
3L88.8Confident90.4Very high129 Ų12974.5 Ų74.568%0.67544%0.437SS*.EExtended strand (participates in β ladder)trans-97.5119.5174.8-179.765.9000108.7T104L3-T104 WeakPolarHBondContact CA-O 3.41Å; L3-T104 HydrophobicContact CD1-CG2 3.93Å
4V92Very high90.8Very high17 Ų1770.1 Ų70.110%0.10341%0.412CS..EExtended strand (participates in β ladder)trans-128.3153.4-176-590000111.3E2 L78 L103 T104 V105 S106E2-V4 HydrophobicContact CG-CG1 3.87Å; V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; V4-L103 HydrophobicContact CG1-CD1 4.05Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.48Å; V4-T104 PolarHBondContact N-O 2.62Å; V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.29Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.6Å; V4-V105 WeakPolarHBondContact O-CA 3.41Å; V4-S106 PolarHBondContact O-N 3.21Å; V4-S106 PolarHBondContact O-OG 2.87Å
5K92Very high91.2Very high162 Ų16276 Ų7670%0.70443%0.43SS*.  trans-81.2152.5176.6-63.5-178.4-179-179.50110.9A8K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.02Å
6P93.8Very high91.2Very high66 Ų6671.9 Ų71.943%0.42941%0.409SS..THydrogen-bonded Turntrans-52.2145.7168.1-28.135.9000112.3A8 L78 V105 S106P6-A8 PolarHBondContact O-N 3.25Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.26Å; P6-V105 HydrophobicContact CG-CG1 4.32Å; P6-S106 WeakPolarHBondContact CD-O 3.46Å; P6-S106 WeakPolarHBondContact CD-OG 3.24Å; P6-S106 WeakPolarHBondContact CG-O 3.31Å
7G92.8Very high91.2Very high53 Ų5373.8 Ų73.855%0.54643%0.428SS..THydrogen-bonded Turntrans77.7-13.7-178.700000114.7L78G7-L78 PolarHBondContact N-O 2.87Å
8A94.1Very high91Very high35 Ų3574.6 Ų74.629%0.28945%0.454SS..  trans-65.8164.817500000111.7K5 P6 S77 L78K5-A8 WeakPolarHBondContact O-CB 3.47Å; K5-A8 PolarHBondContact O-N 3.02Å; P6-A8 PolarHBondContact O-N 3.25Å; A8-S77 PolarHBondContact O-N 3.27Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.85Å
9S95.2Very high90.7Very high69 Ų6973.8 Ų73.848%0.48344%0.442SS..  trans-116.8143169.7-58.30000109.7L75 S76S9-L75 CarbonylContact C-O 3.49Å; S9-L75 WeakPolarHBondContact CA-O 3.23Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; S9-S76 WeakPolarHBondContact OG-CA 3.4Å
10V95.3Very high90.7Very high5 Ų573.1 Ų73.13%0.0345%0.445CS..EExtended strand (participates in β ladder)trans-126.6146.5177.969.80000110.2E2 I12 Q74 L75 L78 L103E2-V10 WeakPolarHBondContact OE1-CG2 3.41Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å; V10-I12 HydrophobicContact CG1-CG1 4.43Å; V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.89Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; V10-L103 HydrophobicContact CB-CD1 4.44Å; V10-L103 HydrophobicContact CG1-CD1 4.1Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.28Å
11K96.4Very high90.7Very high119 Ų11969.9 Ų69.952%0.51743%0.425SS..EExtended strand (participates in β ladder)trans-116.3110.9175.4-173.6175.8178.9179.50109.7Y72K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å
12I96.3Very high92.1Very high8 Ų865.8 Ų65.84%0.04140%0.4CS..EExtended strand (participates in β ladder)trans-93.4134.5177.3-53.9-178.2000108.3V10 W28 Y72 M73 L75 Y86 T101V10-I12 HydrophobicContact CG1-CG1 4.43Å; I12-W28 HydrophobicContact CB-CH2 4.38Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.08Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.3Å; I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.44Å; I12-M73 PolarHBondContact N-O 3.25Å; I12-M73 PolarHBondContact O-N 3.31Å; I12-L75 HydrophobicContact CD1-CD1 4.38Å; I12-Y86 HydrophobicContact CD1-CD1 4.49Å; I12-Y86 HydrophobicContact CD1-CD2 3.84Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å; I12-T101 HydrophobicContact CG2-CG2 4.4Å
13S96.7Very high92.7Very high72 Ų7264.6 Ų64.650%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-110.4149.8179.265.10000111.7A71 Y72S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å
14C96.2Very high92.8Very high13 Ų1359.5 Ų59.59%0.08838%0.376CS..EExtended strand (participates in β ladder)trans-138.6107.1173.4176.20000109.2W28 T70 A71 C88C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.35Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.39Å; C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.07Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.07Å
15K95.5Very high92.9Very high158 Ų15862.1 Ų62.169%0.68738%0.384SS*.EExtended strand (participates in β ladder)trans-86121.9177.8-172.2172.4-176.41770109.9
16A92.6Very high93.1Very high11 Ų1154.6 Ų54.69%0.09135%0.352CS..  trans-82.2147175.100000111.3Y19 F21 M26 S69A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 4.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.18Å; A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4Å; A16-M26 HydrophobicContact CB-CE 4.35Å; A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 2.99Å
17S90.6Very high93.2Very high104 Ų10452 Ų5273%0.72733%0.334SS*.  trans-146.9152.9174.159.90000110.2Y19S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 PolarHBondContact O-N 2.87Å
18G87.2Confident93.4Very high87 Ų8749.6 Ų49.690%0.89731%0.309SS*.SBendtrans77.411.4174.400000116.2
19Y85.8Confident93.5Very high60 Ų6048 Ų4824%0.23530%0.296CS..SBendtrans-157.6167.9172.867.9-80.9000111.6A16 S17 F21 M26 R90A16-Y19 HydrophobicContact CB-CE1 3.72Å; A16-Y19 HydrophobicContact CB-CE2 4.43Å; A16-Y19 VanDerWaalsContact CB-OH 3.22Å; A16-Y19 WeakPolarHBondContact CB-OH 3.18Å; S17-Y19 VanDerWaalsContact O-CD1 3.26Å; S17-Y19 WeakPolarHBondContact O-CD1 3.47Å; S17-Y19 PolarHBondContact O-N 2.87Å; Y19-F21 PolarHBondContact O-N 2.91Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.4Å; Y19-R90 VanDerWaalsContact CE2-CD 3.43Å
20A90.1Very high93.6Very high60 Ų6044.9 Ų44.950%0.49627%0.273SS..  trans-70.898.7172.300000110.6S22 S23A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 2.84Å; A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.24Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 3.09Å; A20-S23 VanDerWaalsContact O-OG 3.07Å
21F91.4Very high93.6Very high6 Ų648.1 Ų48.13%0.02629%0.288CS..G310 helixtrans-57.6-37.4-176.9175.2-114.1000113.3A16 Y19 S23 M26 P45 A64 S69 A71A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.07Å; A16-F21 HydrophobicContact CB-CG 4Å; Y19-F21 PolarHBondContact O-N 2.91Å; F21-S23 PolarHBondContact O-N 2.88Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.38Å; F21-P45 HydrophobicContact CE2-CG 3.62Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; F21-A64 HydrophobicContact CE1-CB 4.05Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; F21-A71 HydrophobicContact CE2-CB 4.09Å; F21-A71 HydrophobicContact CZ-CB 3.87Å
22S92.3Very high93.5Very high58 Ų5845.7 Ų45.741%0.40628%0.276SS..G310 helixtrans-70-10.6-179.752.80000115A20 G46A20-S22 VanDerWaalsContact C-N 3.27Å; A20-S22 PolarHBondContact O-N 2.84Å; S22-G46 WeakPolarHBondContact O-CA 3.32Å; S22-G46 PolarHBondContact O-N 3.25Å; S22-G46 VanDerWaalsContact O-N 3.13Å
23S91.2Very high93.2Very high64 Ų6451 Ų5145%0.44831%0.31SS..G310 helixtrans-113.317.8-177.665.90000113.9A20 F21 Y44A20-S23 WeakPolarHBondContact CB-OG 3.33Å; A20-S23 PolarHBondContact O-N 3.24Å; A20-S23 VanDerWaalsContact O-N 3.16Å; A20-S23 PolarHBondContact O-OG 3.09Å; A20-S23 VanDerWaalsContact O-OG 3.07Å; F21-S23 PolarHBondContact O-N 2.88Å; S23-Y44 VanDerWaalsContact C-CE2 3.49Å; S23-Y44 WeakPolarHBondContact CA-OH 3.3Å
24S91Very high92.9Very high22 Ų2251.7 Ų51.715%0.15433%0.329CS..SBendtrans-141.8139.5-176.3-71.10000112.4M26 P45S24-M26 PolarHBondContact O-N 3.18Å; S24-P45 WeakPolarHBondContact O-CD 3.4Å
25W94.1Very high92.8Very high73 Ų7357.8 Ų57.828%0.27735%0.354SS..PPolyproline II helixtrans-66.4127.8172.4-71.298.6000111.5R42 Y44 D49W25-R42 HydrophobicContact CD2-CG 4.26Å; W25-R42 HydrophobicContact CE3-CB 3.99Å; W25-R42 HydrophobicContact CE3-CG 3.45Å; W25-R42 VanDerWaalsContact CE3-CG 3.45Å; W25-R42 HydrophobicContact CZ3-CG 3.76Å; W25-Y44 AromaticContact CD1-CD2 3.92Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.3Å; W25-Y44 AromaticContact CE2-CD2 3.78Å; W25-Y44 HydrophobicContact CE3-CD2 4.5Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 AromaticContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CZ2-CD2 4.34Å; W25-Y44 HydrophobicContact CZ2-CG 4.23Å; W25-Y44 AromaticContact NE1-CD2 3.78Å; W25-D49 HydrophobicContact CH2-CB 3.93Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.35Å; W25-D49 WeakPolarHBondContact CZ3-O 3.41Å
26M95.8Very high92.6Very high4 Ų452.9 Ų52.92%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-98.7118.7167.8-17465.173.600109.4A16 Y19 F21 S24 R42 I43 A71 C88A16-M26 HydrophobicContact CB-CE 4.35Å; Y19-M26 VanDerWaalsContact OH-CE 3.27Å; Y19-M26 WeakPolarHBondContact OH-CE 3.4Å; F21-M26 HydrophobicContact CD2-CE 4.33Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; S24-M26 PolarHBondContact O-N 3.18Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.1Å; M26-R42 WeakPolarHBondContact O-CB 2.92Å; M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 2.93Å; M26-A71 HydrophobicContact CB-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.71Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.76Å
27N96.4Very high92.7Very high11 Ų1156.9 Ų56.96%0.05937%0.368CS..EExtended strand (participates in β ladder)trans-96149.4177.9-59.7-92.7000110.1W39 G41 R42 C88 A89 L92N27-W39 PolarHBondContact OD1-NE1 2.91Å; N27-W39 VanDerWaalsContact OD1-NE1 3.11Å; N27-G41 CarbonylContact C-O 3.49Å; N27-G41 WeakPolarHBondContact CA-O 3.35Å; N27-R42 HydrophobicContact CB-CB 4.48Å; N27-R42 WeakPolarHBondContact OD1-CB 3.41Å; N27-C88 CarbonylContact O-C 3.47Å; N27-C88 WeakPolarHBondContact O-CA 3.34Å; N27-A89 WeakPolarHBondContact CA-O 3.2Å; N27-A89 VanDerWaalsContact CB-O 3.3Å; N27-A89 WeakPolarHBondContact CB-O 3.02Å; N27-A89 PolarHBondContact N-O 3.44Å; N27-A89 PolarHBondContact ND2-O 3.31Å; N27-A89 PolarHBondContact O-N 3.07Å; N27-L92 HydrophobicContact CB-CD1 3.69Å; N27-L92 HydrophobicContact CB-CG 4.31Å
28W97.3Very high92.9Very high2 Ų253.8 Ų53.81%0.00834%0.342CS..EExtended strand (participates in β ladder)trans-119.4134.3172.6-69.292.1000109.8I12 C14 I40 G41 L62 A71 M73 F87 C88I12-W28 HydrophobicContact CB-CH2 4.38Å; I12-W28 HydrophobicContact CB-CZ3 4.14Å; I12-W28 HydrophobicContact CG2-CH2 4.08Å; I12-W28 HydrophobicContact CG2-CZ3 3.7Å; C14-W28 HydrophobicContact CB-CH2 3.74Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.01Å; W28-I40 PolarHBondContact O-N 2.81Å; W28-G41 PolarHBondContact N-O 3.44Å; W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; W28-A71 HydrophobicContact CZ2-CB 4.11Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.88Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.09Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.31Å; W28-F87 CarbonylContact C-O 3.57Å; W28-F87 WeakPolarHBondContact CA-O 3.5Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å
29V96.6Very high93.3Very high3 Ų353 Ų532%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-137.4135.5-172.9-176.10000109.2L37 E38 Y86 F87 L92 W97V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; V29-Y86 CarbonylContact O-C 3.35Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; V29-F87 PolarHBondContact N-O 2.81Å; V29-F87 PolarHBondContact O-N 3.1Å; V29-L92 HydrophobicContact CG2-CD1 4.28Å; V29-W97 HydrophobicContact CB-CH2 4.28Å; V29-W97 HydrophobicContact CB-CZ3 3.89Å; V29-W97 HydrophobicContact CG1-CH2 4.19Å; V29-W97 HydrophobicContact CG1-CZ3 4.1Å; V29-W97 HydrophobicContact CG2-CH2 3.9Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å
30K96Very high93.9Very high2 Ų250.2 Ų50.21%0.00930%0.301CS..EExtended strand (participates in β ladder)trans-102.1138.5174.6-177.7177.2-179.3175.40109.5E38 I40 F56 E81 D82 A84 Y86K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.66Å; K30-E38 PolarHBondContact O-N 3.13Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.11Å; K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; K30-E81 PolarHBondContact NZ-O 3.43Å; K30-D82 IonicContact NZ-OD1 3.71Å; K30-D82 PolarHBondContact NZ-OD1 2.93Å; K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.54Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.07Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å
31Q96.1Very high94.2Very high73 Ų7347.3 Ų47.334%0.34128%0.277SS..EExtended strand (participates in β ladder)trans-129.3115.6169.9-166.5-179.230.600110.2L37 A84 V85 F87Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 2.78Å; Q31-F87 HydrophobicContact CB-CD2 4.38Å; Q31-F87 HydrophobicContact CB-CE2 3.78Å
32R94.3Very high94.4Very high68 Ų6851.3 Ų51.326%0.25729%0.292SS..  trans-86.3149.1171.4-67.5174.6175149.7-14110.1G34 K35 E38 E81 A84R32-G34 PolarHBondContact O-N 2.98Å; R32-K35 HydrophobicContact CB-CB 3.97Å; R32-K35 HydrophobicContact CB-CG 3.94Å; R32-K35 PolarHBondContact O-N 3.47Å; R32-E38 IonicContact CZ-OE2 3.24Å; R32-E38 IonicContact NH1-OE2 2.69Å; R32-E38 PolarHBondContact NH1-OE2 2.86Å; R32-E81 PolarHBondContact NE-O 3.15Å; R32-E81 PolarHBondContact NH2-O 2.89Å; R32-E81 IonicContact NH2-OE2 3.39Å; R32-A84 HydrophobicContact CG-CB 4.17Å
33P90.3Very high94.7Very high119 Ų11948.8 Ų48.877%0.77327%0.274SS*.THydrogen-bonded Turntrans-52.7128.2172.9-25.334.4000111.3K35P33-K35 PolarHBondContact O-N 2.93Å
34G91Very high94.9Very high87 Ų8748.6 Ų48.690%0.89726%0.264SS*.THydrogen-bonded Turntrans69.710.4-179.700000115.7R32R32-G34 PolarHBondContact O-N 2.98Å
35K92.6Very high95.2Very high141 Ų14147.7 Ų47.761%0.61326%0.258SS*.SBendtrans-119.1161175.3-58.6-65.4-176.9-178.30111.2R32 P33R32-K35 HydrophobicContact CB-CB 3.97Å; R32-K35 HydrophobicContact CB-CG 3.94Å; R32-K35 PolarHBondContact O-N 3.47Å; P33-K35 PolarHBondContact O-N 2.93Å
36G92.3Very high95.2Very high55 Ų5545.4 Ų45.457%0.56726%0.257SS*.  trans-68.5173.9173.700000113.1
37L93.9Very high95.2Very high96 Ų9650.8 Ų50.850%0.50329%0.285SS..EExtended strand (participates in β ladder)trans-71.2128.6173.9-64.4173.7000110.4V29 Q31 W97V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.96Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.93Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.29Å
38E95.4Very high95.1Very high39 Ų3952.2 Ų52.218%0.18230%0.303CS..EExtended strand (participates in β ladder)trans-110.3111.5175.9-63.2-171.286.200109.4V29 K30 R32 I40 K55 F56V29-E38 CarbonylContact C-O 3.57Å; V29-E38 WeakPolarHBondContact CA-O 3.47Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.66Å; K30-E38 PolarHBondContact O-N 3.13Å; R32-E38 IonicContact CZ-OE2 3.24Å; R32-E38 IonicContact NH1-OE2 2.69Å; R32-E38 PolarHBondContact NH1-OE2 2.86Å; E38-I40 PolarHBondContact O-N 3.41Å; E38-K55 IonicContact OE1-NZ 3.72Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39W95.9Very high95.1Very high71 Ų7156.3 Ų56.327%0.26933%0.325SS..EExtended strand (participates in β ladder)trans-70.7126.9175.9-177.781.8000110.4N27 G41 R42 N51 N53N27-W39 PolarHBondContact OD1-NE1 2.91Å; N27-W39 VanDerWaalsContact OD1-NE1 3.11Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.87Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.8Å; W39-N51 HydrophobicContact CH2-CB 4.45Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.37Å; W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 2.82Å
40I97Very high95.1Very high0 Ų058.5 Ų58.50%034%0.338CS..EExtended strand (participates in β ladder)trans-91-48.2-176.9-59.7174.2000110.1W28 K30 E38 N53 F56 A60 M73 Y86W28-I40 HydrophobicContact CB-CB 4.16Å; W28-I40 HydrophobicContact CB-CD1 4.31Å; W28-I40 WeakPolarHBondContact O-CB 3.01Å; W28-I40 PolarHBondContact O-N 2.81Å; K30-I40 HydrophobicContact CB-CD1 3.97Å; K30-I40 HydrophobicContact CB-CG1 4.11Å; E38-I40 PolarHBondContact O-N 3.41Å; I40-N53 WeakPolarHBondContact O-CB 3.33Å; I40-N53 PolarHBondContact O-N 3.49Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.19Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; I40-A60 HydrophobicContact CG2-CB 3.75Å; I40-M73 HydrophobicContact CD1-CE 4.1Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41G96.9Very high95.2Very high0 Ų062 Ų620%036%0.357CS..EExtended strand (participates in β ladder)trans169.9-178.8-172.900000112N27 W28 W39 N51N27-G41 CarbonylContact C-O 3.49Å; N27-G41 WeakPolarHBondContact CA-O 3.35Å; W28-G41 PolarHBondContact N-O 3.44Å; W39-G41 VanDerWaalsContact CZ2-CA 3.42Å; W39-G41 PolarHBondContact NE1-O 2.87Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.47Å
42R96.9Very high95.2Very high90 Ų9061.1 Ų61.134%0.3435%0.351SS..EExtended strand (participates in β ladder)trans-145.1154.9174.767.4-176.3-174.5-167.2-0.3111.6W25 M26 N27 W39 T50 N51W25-R42 HydrophobicContact CD2-CG 4.26Å; W25-R42 HydrophobicContact CE3-CB 3.99Å; W25-R42 HydrophobicContact CE3-CG 3.45Å; W25-R42 VanDerWaalsContact CE3-CG 3.45Å; W25-R42 HydrophobicContact CZ3-CG 3.76Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.1Å; M26-R42 WeakPolarHBondContact O-CB 2.92Å; N27-R42 HydrophobicContact CB-CB 4.48Å; N27-R42 WeakPolarHBondContact OD1-CB 3.41Å; W39-R42 HydrophobicContact CZ2-CB 3.97Å; W39-R42 HydrophobicContact CZ2-CG 3.8Å; R42-T50 WeakPolarHBondContact O-CA 3.24Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 3.24Å; R42-N51 PolarHBondContact O-N 3.18Å
43I97.5Very high95.3Very high4 Ų460.2 Ų60.22%0.02135%0.351CS..EExtended strand (participates in β ladder)trans-126.8140173.6-176.6165.7000109.9M26 P45 D49 T50 L62 T63 A64M26-I43 HydrophobicContact CB-CG2 4.05Å; M26-I43 PolarHBondContact N-O 3.38Å; M26-I43 PolarHBondContact O-N 2.93Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.25Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.39Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; I43-T63 VanDerWaalsContact CD1-C 3.48Å; I43-A64 HydrophobicContact CD1-CB 3.92Å
44Y96.5Very high95.4Very high61 Ų6157.5 Ų57.524%0.23935%0.345CS..  trans-98.7106.9168.1-167-108.7000108.5S23 W25 G46 D47 G48 D49S23-Y44 VanDerWaalsContact C-CE2 3.49Å; S23-Y44 WeakPolarHBondContact CA-OH 3.3Å; W25-Y44 AromaticContact CD1-CD2 3.92Å; W25-Y44 AromaticContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CD2 3.88Å; W25-Y44 HydrophobicContact CD2-CG 4.3Å; W25-Y44 AromaticContact CE2-CD2 3.78Å; W25-Y44 HydrophobicContact CE3-CD2 4.5Å; W25-Y44 VanDerWaalsContact CE3-N 3.27Å; W25-Y44 AromaticContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CG-CD2 3.98Å; W25-Y44 HydrophobicContact CZ2-CD2 4.34Å; W25-Y44 HydrophobicContact CZ2-CG 4.23Å; W25-Y44 AromaticContact NE1-CD2 3.78Å; Y44-G46 PolarHBondContact O-N 3.03Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; Y44-D47 WeakPolarHBondContact CD1-OD1 3.19Å; Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 3.25Å; Y44-D49 PolarHBondContact N-O 3Å
45P95.9Very high95.5Very high3 Ų360.7 Ų60.72%0.01933%0.334CS..THydrogen-bonded Turntrans-65.9-17-172.5-23.235.4000114.4F21 S24 I43 A64 K66F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.08Å; F21-P45 HydrophobicContact CD2-CG 4.07Å; F21-P45 HydrophobicContact CE1-CB 3.47Å; F21-P45 VanDerWaalsContact CE1-CB 3.47Å; F21-P45 HydrophobicContact CE1-CG 3.65Å; F21-P45 HydrophobicContact CE2-CB 4.38Å; F21-P45 HydrophobicContact CE2-CG 3.62Å; F21-P45 HydrophobicContact CG-CB 4.45Å; F21-P45 HydrophobicContact CG-CG 4.3Å; F21-P45 HydrophobicContact CZ-CB 3.78Å; F21-P45 HydrophobicContact CZ-CG 3.4Å; F21-P45 WeakPolarHBondContact O-CG 3.4Å; S24-P45 WeakPolarHBondContact O-CD 3.4Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.1Å; P45-K66 VanDerWaalsContact O-CD 3.24Å; P45-K66 WeakPolarHBondContact O-CD 3.3Å; P45-K66 WeakPolarHBondContact O-CE 3.17Å; P45-K66 WeakPolarHBondContact O-CG 3.43Å
46G94.8Very high95.6Very high25 Ų2554.6 Ų54.626%0.25831%0.308SS..THydrogen-bonded Turntrans-60.8-54.5-179.300000112.8S22 Y44 K66S22-G46 WeakPolarHBondContact O-CA 3.32Å; S22-G46 PolarHBondContact O-N 3.25Å; S22-G46 VanDerWaalsContact O-N 3.13Å; Y44-G46 PolarHBondContact O-N 3.03Å; Y44-G46 VanDerWaalsContact O-N 3.1Å; G46-K66 PolarHBondContact O-NZ 3.29Å
47D95.3Very high95.5Very high116 Ų11659.9 Ų59.962%0.6232%0.315SS*.THydrogen-bonded Turntrans-113.7-10.1-17855.520.6000113.5Y44 D49Y44-D47 WeakPolarHBondContact CD1-OD1 3.19Å; D47-D49 VanDerWaalsContact OD1-CB 3.32Å; D47-D49 WeakPolarHBondContact OD1-CB 3.49Å; D47-D49 PolarHBondContact OD1-N 3.02Å
48G95.1Very high95.4Very high41 Ų4158.6 Ų58.642%0.42333%0.325SS..  trans83.811.3-178.200000114Y44Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.46Å; Y44-G48 PolarHBondContact O-N 3.25Å
49D96.8Very high95.4Very high89 Ų8958.7 Ų58.748%0.47633%0.325SS..  trans-60.6139.6177.2-172.523.4000110.9W25 I43 Y44 D47W25-D49 HydrophobicContact CH2-CB 3.93Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.35Å; W25-D49 WeakPolarHBondContact CZ3-O 3.41Å; I43-D49 CarbonylContact C-O 3.54Å; I43-D49 VanDerWaalsContact CA-O 3.3Å; I43-D49 WeakPolarHBondContact CA-O 3.25Å; Y44-D49 PolarHBondContact N-O 3Å; D47-D49 VanDerWaalsContact OD1-CB 3.32Å; D47-D49 WeakPolarHBondContact OD1-CB 3.49Å; D47-D49 PolarHBondContact OD1-N 3.02Å
50T97.5Very high95.4Very high49 Ų4955.5 Ų55.530%0.30131%0.313SS..EExtended strand (participates in β ladder)trans-132.6139.9-176.455.60000111.6R42 I43 Y52 L62R42-T50 WeakPolarHBondContact O-CA 3.24Å; I43-T50 HydrophobicContact CB-CG2 3.99Å; I43-T50 HydrophobicContact CD1-CG2 3.97Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.1Å; T50-L62 HydrophobicContact CG2-CB 4.1Å
51N96.4Very high95.4Very high74 Ų7458.8 Ų58.840%0.39633%0.334SS..EExtended strand (participates in β ladder)trans-130.5136.8171.9-177.7-131.6000109.9W39 G41 R42W39-N51 HydrophobicContact CH2-CB 4.45Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.37Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.47Å; R42-N51 HydrophobicContact CG-CB 4.15Å; R42-N51 PolarHBondContact N-O 3.24Å; R42-N51 PolarHBondContact O-N 3.18Å
52Y97Very high95.5Very high55 Ų5559.2 Ų59.222%0.21634%0.336CS..EExtended strand (participates in β ladder)trans-122.7148.6-173.9-65.5-91.7000110.5T50 A60 L62T50-Y52 WeakPolarHBondContact OG1-CE2 3.1Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 WeakPolarHBondContact CE1-O 3.35Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.69Å
53N95.7Very high95.5Very high49 Ų4957.8 Ų57.826%0.26234%0.337SS..  trans-70.7135.4158.2-178.3-22.7000108.8W39 I40 K55 F56 K57W39-N53 HydrophobicContact CE3-CB 3.78Å; W39-N53 HydrophobicContact CZ3-CB 3.96Å; W39-N53 WeakPolarHBondContact O-CB 2.99Å; W39-N53 PolarHBondContact O-ND2 2.82Å; I40-N53 WeakPolarHBondContact O-CB 3.33Å; I40-N53 PolarHBondContact O-N 3.49Å; N53-K55 PolarHBondContact O-N 2.98Å; N53-K55 PolarHBondContact OD1-N 3.19Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.69Å; N53-K57 PolarHBondContact O-N 2.94Å
54G93.9Very high95.5Very high62 Ų6259.3 Ų59.364%0.63935%0.35SS*.G310 helixtrans-51.6-34.5-178.600000113.8F56 K57G54-F56 PolarHBondContact O-N 3.35Å; G54-K57 PolarHBondContact O-N 3.11Å
55K91.8Very high95.5Very high155 Ų15559 Ų5967%0.67435%0.353SS*.G310 helixtrans-62-27.3177.6-67.4-175.2179.8-178.60114.4E38 N53E38-K55 IonicContact OE1-NZ 3.72Å; N53-K55 PolarHBondContact O-N 2.98Å; N53-K55 PolarHBondContact OD1-N 3.19Å
56F94.2Very high95.4Very high13 Ų1364.8 Ų64.86%0.05738%0.378CS..G310 helixtrans-110-1.6-174.5-62-85.8000112.7K30 E38 I40 N53 G54 G58 K59 A60K30-F56 HydrophobicContact CB-CZ 4.46Å; K30-F56 HydrophobicContact CD-CE1 3.89Å; K30-F56 HydrophobicContact CD-CZ 4.04Å; E38-F56 HydrophobicContact CB-CE2 4.42Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CD2 4.28Å; I40-F56 HydrophobicContact CB-CG 4.19Å; I40-F56 HydrophobicContact CG1-CD1 4.13Å; I40-F56 HydrophobicContact CG1-CD2 4.27Å; I40-F56 HydrophobicContact CG1-CE1 4.06Å; I40-F56 HydrophobicContact CG1-CE2 4.19Å; I40-F56 HydrophobicContact CG1-CG 4.23Å; I40-F56 HydrophobicContact CG1-CZ 4.08Å; I40-F56 HydrophobicContact CG2-CB 3.7Å; I40-F56 HydrophobicContact CG2-CD1 4.05Å; I40-F56 HydrophobicContact CG2-CD2 4.32Å; I40-F56 HydrophobicContact CG2-CG 3.77Å; N53-F56 HydrophobicContact CB-CD2 4.03Å; N53-F56 PolarHBondContact O-N 2.69Å; G54-F56 PolarHBondContact O-N 3.35Å; F56-G58 PolarHBondContact O-N 3.11Å; F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 2.82Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 3Å
57K91.9Very high95.3Very high165 Ų16568.7 Ų68.772%0.71740%0.401SS*.BIsolated β-bridgetrans-63124.8176.2-167.2174.3-177.5179.60109.1N53 G54 K59N53-K57 PolarHBondContact O-N 2.94Å; G54-K57 PolarHBondContact O-N 3.11Å; K57-K59 PolarHBondContact O-N 3.06Å
58G91.3Very high95.3Very high69 Ų6965 Ų6571%0.71138%0.384SS*.THydrogen-bonded Turntrans84.7-18.5-175.200000114.8F56F56-G58 PolarHBondContact O-N 3.11Å
59K94.5Very high95.4Very high42 Ų4264.9 Ų64.918%0.18338%0.377CS..THydrogen-bonded Turntrans-88.3-39.9173.9-174.769.8177.4-163.70112.3F56 K57 L75 S76 S77 D82F56-K59 WeakPolarHBondContact O-CB 3.44Å; F56-K59 PolarHBondContact O-N 2.82Å; K57-K59 PolarHBondContact O-N 3.06Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.41Å; K59-S76 PolarHBondContact NZ-O 2.77Å; K59-S76 PolarHBondContact O-N 3.13Å; K59-S76 PolarHBondContact O-OG 2.86Å; K59-S77 PolarHBondContact NZ-O 2.86Å; K59-D82 WeakPolarHBondContact CE-OD2 3.19Å; K59-D82 IonicContact NZ-OD2 3.95Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å
60A96.9Very high95.4Very high3 Ų361.1 Ų61.13%0.02536%0.357CS..EExtended strand (participates in β ladder)trans-110.7138.4-179.500000110.8I40 Y52 F56 M73 Q74 L75I40-A60 HydrophobicContact CG2-CB 3.75Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 WeakPolarHBondContact CE1-O 3.35Å; F56-A60 HydrophobicContact CB-CB 4.45Å; F56-A60 PolarHBondContact O-N 3Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.47Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; A60-L75 HydrophobicContact CB-CD2 3.91Å
61T97.8Very high95.4Very high70 Ų7058.8 Ų58.843%0.42934%0.343SS..EExtended strand (participates in β ladder)trans-120.3120.7169.5-59.50000108.9T63 M73 Q74T61-T63 HydrophobicContact CG2-CG2 4.4Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.86Å
62L98.1Very high95.4Very high9 Ų957.7 Ų57.75%0.04733%0.334CS..EExtended strand (participates in β ladder)trans-98.2132.8178.9-52.8-176000110.4W28 I43 T50 Y52 Y72 M73W28-L62 VanDerWaalsContact CD1-CD2 3.45Å; W28-L62 HydrophobicContact CG-CD2 3.97Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.39Å; I43-L62 HydrophobicContact CG2-CB 4.42Å; T50-L62 HydrophobicContact CG2-CB 4.1Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.68Å; Y52-L62 PolarHBondContact OH-N 2.69Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.34Å
63T97.6Very high95.5Very high60 Ų6055.1 Ų55.137%0.36832%0.324SS..EExtended strand (participates in β ladder)trans-139.2163.4175.354.70000110I43 T61 Y72I43-T63 VanDerWaalsContact CD1-C 3.48Å; T61-T63 HydrophobicContact CG2-CG2 4.4Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.8Å
64A97.3Very high95.6Very high36 Ų3656.8 Ų56.830%0.29833%0.33SS..EExtended strand (participates in β ladder)trans-143.914117700000110.9F21 I43 P45 T70F21-A64 HydrophobicContact CE1-CB 4.05Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; I43-A64 HydrophobicContact CD1-CB 3.92Å; P45-A64 HydrophobicContact CB-CB 3.76Å; P45-A64 HydrophobicContact CG-CB 4.1Å; A64-T70 WeakPolarHBondContact CA-O 2.98Å
65D96.1Very high95.7Very high55 Ų5553.9 Ų53.929%0.29430%0.3SS..EExtended strand (participates in β ladder)trans-108.8111.2169.8174.711.2000109.1S67 S68 S69 T70 Y72D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 2.83Å; D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 2.77Å; D65-S69 WeakPolarHBondContact O-CA 3.16Å; D65-S69 PolarHBondContact O-N 2.95Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.84Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å
66K94.1Very high95.8Very high123 Ų12348.1 Ų48.154%0.53528%0.279SS..THydrogen-bonded Turntrans-66.8-33.7-179.8-72.1-179.3-98.1-165.70112P45 G46 S69P45-K66 VanDerWaalsContact O-CD 3.24Å; P45-K66 WeakPolarHBondContact O-CD 3.3Å; P45-K66 WeakPolarHBondContact O-CE 3.17Å; P45-K66 WeakPolarHBondContact O-CG 3.43Å; G46-K66 PolarHBondContact O-NZ 3.29Å; K66-S69 PolarHBondContact O-N 2.97Å
67S92.9Very high95.9Very high108 Ų10851.2 Ų51.276%0.75530%0.302SS*.THydrogen-bonded Turntrans-68.3-41.6-175.871.20000111.8D65D65-S67 VanDerWaalsContact C-N 3.32Å; D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 WeakPolarHBondContact OD1-CB 3.38Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.49Å; D65-S67 PolarHBondContact OD2-OG 2.83Å
68S95.3Very high96Very high37 Ų3743.4 Ų43.426%0.25927%0.268SS..THydrogen-bonded Turntrans-92.30.2177.565.70000113.7D65 T70D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 VanDerWaalsContact OD2-CB 3.31Å; D65-S68 WeakPolarHBondContact OD2-CB 3.14Å; D65-S68 PolarHBondContact OD2-OG 2.77Å; S68-T70 PolarHBondContact O-N 3.04Å; S68-T70 PolarHBondContact O-OG1 2.91Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.86Å
69S95.8Very high96.1Very high40 Ų4043.1 Ų43.128%0.2825%0.253SS..THydrogen-bonded Turntrans50.241.4-172.5-64.20000113A16 F21 D65 K66A16-S69 WeakPolarHBondContact CB-O 3.41Å; A16-S69 PolarHBondContact N-O 2.99Å; F21-S69 VanDerWaalsContact CD1-CA 3.48Å; D65-S69 WeakPolarHBondContact O-CA 3.16Å; D65-S69 PolarHBondContact O-N 2.95Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 2.97Å
70T97.1Very high96Very high10 Ų1044.4 Ų44.46%0.06127%0.267CS..EExtended strand (participates in β ladder)trans-120125.6-173.8-56.10000110.9C14 A64 D65 S68 Y72C14-T70 WeakPolarHBondContact O-CA 3.35Å; A64-T70 WeakPolarHBondContact CA-O 2.98Å; D65-T70 PolarHBondContact N-O 2.95Å; D65-T70 PolarHBondContact O-N 2.84Å; S68-T70 PolarHBondContact O-N 3.04Å; S68-T70 PolarHBondContact O-OG1 2.91Å; S68-T70 VanDerWaalsContact O-OG1 3.04Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.86Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.19Å
71A97.3Very high95.8Very high0 Ų050.4 Ų50.40%030%0.295CS..EExtended strand (participates in β ladder)trans-90.8150.3167.800000109.8S13 C14 F21 M26 W28S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.29Å; C14-A71 PolarHBondContact N-O 2.8Å; C14-A71 PolarHBondContact O-N 3.39Å; F21-A71 HydrophobicContact CE2-CB 4.09Å; F21-A71 HydrophobicContact CZ-CB 3.87Å; M26-A71 HydrophobicContact CB-CB 4.19Å; M26-A71 HydrophobicContact CG-CB 3.71Å; W28-A71 HydrophobicContact CZ2-CB 4.11Å
72Y97.7Very high95.6Very high51 Ų5147.5 Ų47.520%0.228%0.277CS..EExtended strand (participates in β ladder)trans-131.9144.2176.5-53.8-86.4000111.1K11 I12 S13 L62 T63 D65 T70K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.25Å; I12-Y72 CarbonylContact O-C 3.55Å; I12-Y72 VanDerWaalsContact O-CA 3.23Å; I12-Y72 WeakPolarHBondContact O-CA 3.3Å; S13-Y72 VanDerWaalsContact CB-CD1 3.49Å; S13-Y72 VanDerWaalsContact CB-CE1 3.47Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 2.8Å; D65-Y72 HydrophobicContact CB-CE2 3.99Å; T70-Y72 HydrophobicContact CG2-CD1 4.18Å; T70-Y72 HydrophobicContact CG2-CD2 4.46Å; T70-Y72 HydrophobicContact CG2-CE1 3.56Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.19Å
73M97.8Very high95.5Very high0 Ų048.7 Ų48.70%029%0.286CS..EExtended strand (participates in β ladder)trans-121.2119.6166.9176.7-177.768.800108.3I12 W28 I40 A60 T61 L62 L75 Y86I12-M73 HydrophobicContact CB-CE 4.47Å; I12-M73 HydrophobicContact CD1-CE 3.78Å; I12-M73 HydrophobicContact CG1-CE 4.44Å; I12-M73 PolarHBondContact N-O 3.25Å; I12-M73 PolarHBondContact O-N 3.31Å; W28-M73 HydrophobicContact CB-SD 3.93Å; W28-M73 HydrophobicContact CD2-CB 3.61Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.11Å; W28-M73 HydrophobicContact CE3-CB 3.8Å; W28-M73 HydrophobicContact CE3-CE 3.88Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.15Å; W28-M73 HydrophobicContact CG-SD 4.09Å; W28-M73 HydrophobicContact CH2-CB 4.04Å; W28-M73 HydrophobicContact CZ2-CB 3.88Å; W28-M73 HydrophobicContact CZ3-CB 4.01Å; W28-M73 HydrophobicContact CZ3-CE 4.31Å; I40-M73 HydrophobicContact CD1-CE 4.1Å; I40-M73 HydrophobicContact CD1-SD 3.54Å; I40-M73 VanDerWaalsContact CD1-SD 3.54Å; I40-M73 HydrophobicContact CG2-SD 4.04Å; A60-M73 HydrophobicContact CB-CG 4.32Å; A60-M73 HydrophobicContact CB-SD 4.47Å; T61-M73 WeakPolarHBondContact O-CA 3.3Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.34Å; M73-L75 HydrophobicContact CE-CD1 3.88Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.4Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.06Å
74Q97.4Very high95.4Very high85 Ų8546.1 Ų46.140%0.39727%0.271SS..EExtended strand (participates in β ladder)trans-97.2123.7170.5-175.6173.2-4.300109.1V10 A60 T61V10-Q74 CarbonylContact O-C 3.49Å; V10-Q74 VanDerWaalsContact O-CA 3.28Å; V10-Q74 WeakPolarHBondContact O-CA 3.46Å; A60-Q74 CarbonylContact C-O 3.53Å; A60-Q74 WeakPolarHBondContact CA-O 3.34Å; T61-Q74 PolarHBondContact N-O 2.86Å; T61-Q74 PolarHBondContact O-N 2.86Å
75L96.3Very high95.4Very high0 Ų046.3 Ų46.30%027%0.268CS..EExtended strand (participates in β ladder)trans-102.9130172-64.2168.3000108.5S9 V10 I12 K59 A60 M73 L78 Y86 L103S9-L75 CarbonylContact C-O 3.49Å; S9-L75 WeakPolarHBondContact CA-O 3.23Å; S9-L75 WeakPolarHBondContact CB-O 3.36Å; V10-L75 HydrophobicContact CG1-CB 4.06Å; V10-L75 HydrophobicContact CG1-CD1 4.29Å; V10-L75 PolarHBondContact N-O 2.85Å; V10-L75 PolarHBondContact O-N 2.89Å; I12-L75 HydrophobicContact CD1-CD1 4.38Å; K59-L75 WeakPolarHBondContact O-CA 3.42Å; A60-L75 HydrophobicContact CB-CD2 3.91Å; M73-L75 HydrophobicContact CE-CD1 3.88Å; M73-L75 HydrophobicContact CE-CD2 4.25Å; M73-L75 HydrophobicContact CE-CG 3.99Å; M73-L75 HydrophobicContact CG-CD2 4.38Å; M73-L75 HydrophobicContact CG-CG 4.39Å; M73-L75 HydrophobicContact SD-CD2 4.11Å; M73-L75 HydrophobicContact SD-CG 4.4Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å
76S95.1Very high95.5Very high34 Ų3443.7 Ų43.724%0.23825%0.254CS..  trans-107158.8-179.656.60000112.4S9 K59 L78S9-S76 WeakPolarHBondContact OG-CA 3.4Å; K59-S76 VanDerWaalsContact CD-O 3.23Å; K59-S76 WeakPolarHBondContact CD-O 3.32Å; K59-S76 WeakPolarHBondContact CE-O 3.41Å; K59-S76 PolarHBondContact NZ-O 2.77Å; K59-S76 PolarHBondContact O-N 3.13Å; K59-S76 PolarHBondContact O-OG 2.86Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.02Å
77S94.6Very high95.6Very high78 Ų7839.3 Ų39.355%0.54524%0.235SC..SBendtrans49.548.4171.6-55.90000112.9A8 K59A8-S77 PolarHBondContact O-N 3.27Å; K59-S77 PolarHBondContact NZ-O 2.86Å
78L94.8Very high95.7Very high1 Ų134.8 Ų34.81%0.00520%0.203CC..  trans-57.8142.5-170.7-71.1172.4000112.7V4 P6 G7 A8 V10 L75 S76 D82 L103 V105V4-L78 HydrophobicContact CB-CD1 4.42Å; V4-L78 HydrophobicContact CG2-CD1 3.56Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.26Å; G7-L78 PolarHBondContact N-O 2.87Å; A8-L78 WeakPolarHBondContact O-CB 3.28Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.27Å; A8-L78 PolarHBondContact O-N 2.85Å; V10-L78 HydrophobicContact CB-CD1 4.1Å; V10-L78 HydrophobicContact CG1-CD1 3.81Å; L75-L78 HydrophobicContact CB-CD2 3.72Å; L75-L78 HydrophobicContact CD1-CD2 4.27Å; S76-L78 VanDerWaalsContact C-N 3.3Å; S76-L78 PolarHBondContact O-N 2.02Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; L78-L103 HydrophobicContact CD1-CD2 4.19Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; L78-V105 HydrophobicContact CB-CG1 4.23Å; L78-V105 HydrophobicContact CB-CG2 4.05Å; L78-V105 HydrophobicContact CD1-CG2 4.39Å
79T94.4Very high95.7Very high63 Ų6333.1 Ų33.139%0.38719%0.191SC..  trans-122.4167.9173.267.40000110.2E81 D82 V105T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.09Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-V105 WeakPolarHBondContact O-CB 3.22Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å
80S92.5Very high95.5Very high70 Ų7034.4 Ų34.449%0.4919%0.19SC..G310 helixtrans-53.4-31.3176.154.60000112.8D82 S83S80-D82 PolarHBondContact O-N 2.82Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.86Å
81E91.3Very high94.8Very high128 Ų12836.4 Ų36.460%0.59821%0.213SC*.G310 helixtrans-67.8-13.6176-62.2-168.5-176.500114.9K30 R32 T79 S83K30-E81 PolarHBondContact NZ-O 3.43Å; R32-E81 PolarHBondContact NE-O 3.15Å; R32-E81 PolarHBondContact NH2-O 2.89Å; R32-E81 IonicContact NH2-OE2 3.39Å; T79-E81 PolarHBondContact O-N 2.9Å; T79-E81 VanDerWaalsContact O-N 3.09Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82D94.2Very high93.8Very high10 Ų1039.1 Ų39.15%0.05323%0.227CC..G310 helixtrans-84.1-5.8174-64-46.3000113.2K30 K59 L78 T79 S80 A84 Y86 V105K30-D82 IonicContact NZ-OD1 3.71Å; K30-D82 PolarHBondContact NZ-OD1 2.93Å; K59-D82 WeakPolarHBondContact CE-OD2 3.19Å; K59-D82 IonicContact NZ-OD2 3.95Å; K59-D82 PolarHBondContact NZ-OD2 2.82Å; L78-D82 WeakPolarHBondContact CA-OD2 3.49Å; L78-D82 HydrophobicContact CD2-CB 3.69Å; T79-D82 PolarHBondContact N-OD2 2.85Å; T79-D82 WeakPolarHBondContact O-CB 3.48Å; T79-D82 PolarHBondContact O-N 2.92Å; S80-D82 PolarHBondContact O-N 2.82Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-A84 VanDerWaalsContact O-N 3.15Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.87Å; D82-V105 HydrophobicContact CB-CG2 4.15Å
83S95.7Very high92.1Very high34 Ų3442.4 Ų42.424%0.23826%0.255CS..  trans-63.8113.9171.4-570000110.5S80 E81 L103 V105S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.44Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.13Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L103 VanDerWaalsContact CA-O 3.3Å; S83-L103 WeakPolarHBondContact CA-O 3.43Å; S83-V105 PolarHBondContact OG-N 2.79Å; S83-V105 PolarHBondContact OG-O 3.25Å
84A96.4Very high90.9Very high6 Ų654.1 Ų54.15%0.0530%0.299CS..EExtended strand (participates in β ladder)trans-169.2172-172.400000111K30 Q31 R32 D82 Y86 L103K30-A84 HydrophobicContact CD-CB 4.21Å; K30-A84 HydrophobicContact CG-CB 3.54Å; Q31-A84 WeakPolarHBondContact O-CA 3.23Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 2.97Å; R32-A84 HydrophobicContact CG-CB 4.17Å; D82-A84 PolarHBondContact O-N 3.13Å; D82-A84 VanDerWaalsContact O-N 3.15Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; A84-L103 PolarHBondContact N-O 2.65Å; A84-L103 PolarHBondContact O-N 2.81Å
85V97.1Very high90.1Very high39 Ų3950.9 Ų50.924%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-93.9128.8161.4-169.60000108.5Q31 F87Q31-V85 PolarHBondContact N-O 3.05Å; Q31-V85 PolarHBondContact O-N 2.78Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.9Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.84Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å
86Y97.3Very high89.8Confident1 Ų159.1 Ų59.10%0.00432%0.32CS..EExtended strand (participates in β ladder)trans-107127.9178.8-68.2-88.2000109.9I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103I12-Y86 HydrophobicContact CD1-CD1 4.49Å; I12-Y86 HydrophobicContact CD1-CD2 3.84Å; I12-Y86 HydrophobicContact CD1-CG 3.75Å; V29-Y86 CarbonylContact O-C 3.35Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; K30-Y86 HydrophobicContact CB-CD1 4.12Å; K30-Y86 HydrophobicContact CB-CE1 3.88Å; K30-Y86 HydrophobicContact CD-CE1 3.88Å; K30-Y86 WeakPolarHBondContact CE-OH 3.07Å; K30-Y86 HydrophobicContact CG-CD1 4.27Å; K30-Y86 HydrophobicContact CG-CE1 3.72Å; I40-Y86 HydrophobicContact CD1-CD1 3.72Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.55Å; M73-Y86 HydrophobicContact CE-CE1 4.14Å; M73-Y86 HydrophobicContact CE-CG 4.06Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.64Å; L75-Y86 HydrophobicContact CD1-CE2 4.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.41Å; D82-Y86 PolarHBondContact O-OH 2.87Å; A84-Y86 HydrophobicContact CB-CD2 4.41Å; A84-Y86 HydrophobicContact CB-CE2 3.85Å; Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.35Å; Y86-T101 PolarHBondContact N-O 3.09Å; Y86-T101 PolarHBondContact O-N 2.86Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.71Å; Y86-L103 HydrophobicContact CE2-CG 4.38Å
87F96.6Very high89.7Confident30 Ų3062.5 Ų62.513%0.13233%0.328CS..EExtended strand (participates in β ladder)trans-116.5144.8-178.5-58.5-88.1000110.4W28 V29 Q31 V85 W97W28-F87 CarbonylContact C-O 3.57Å; W28-F87 WeakPolarHBondContact CA-O 3.5Å; V29-F87 PolarHBondContact N-O 2.81Å; V29-F87 PolarHBondContact O-N 3.1Å; Q31-F87 HydrophobicContact CB-CD2 4.38Å; Q31-F87 HydrophobicContact CB-CE2 3.78Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.9Å; V85-F87 HydrophobicContact CG1-CD2 4.25Å; V85-F87 HydrophobicContact CG1-CE1 3.84Å; V85-F87 HydrophobicContact CG1-CE2 3.54Å; V85-F87 HydrophobicContact CG1-CZ 3.31Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.22Å; F87-W97 HydrophobicContact CG-CZ3 4.41Å
88C95.8Very high89.6Confident14 Ų1460.1 Ų60.110%0.09532%0.315CS..EExtended strand (participates in β ladder)trans-99.6147.5159.961.60000110C14 M26 N27 W28 G98C14-C88 HydrophobicContact CB-CB 3.43Å; C14-C88 VanDerWaalsContact CB-CB 3.43Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.07Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 3.07Å; M26-C88 HydrophobicContact CG-CB 4.4Å; M26-C88 HydrophobicContact SD-CB 3.76Å; N27-C88 CarbonylContact O-C 3.47Å; N27-C88 WeakPolarHBondContact O-CA 3.34Å; W28-C88 HydrophobicContact CE3-CB 4.29Å; W28-C88 HydrophobicContact CH2-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.24Å; C88-G98 PolarHBondContact O-N 3Å
89A94.9Very high89.6Confident1 Ų169.8 Ų69.81%0.00836%0.361CS..EExtended strand (participates in β ladder)trans-149.5147.3179.700000113.6N27 L92 Y96 W97N27-A89 WeakPolarHBondContact CA-O 3.2Å; N27-A89 VanDerWaalsContact CB-O 3.3Å; N27-A89 WeakPolarHBondContact CB-O 3.02Å; N27-A89 PolarHBondContact N-O 3.44Å; N27-A89 PolarHBondContact ND2-O 3.31Å; N27-A89 PolarHBondContact O-N 3.07Å; A89-L92 HydrophobicContact CB-CD2 3.7Å; A89-L92 HydrophobicContact CB-CG 4.17Å; A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 WeakPolarHBondContact CA-O 3.27Å; A89-W97 HydrophobicContact CB-CD2 3.7Å; A89-W97 HydrophobicContact CB-CE3 3.74Å; A89-W97 HydrophobicContact CB-CG 4.2Å; A89-W97 HydrophobicContact CB-CH2 4.38Å; A89-W97 HydrophobicContact CB-CZ2 4.38Å; A89-W97 HydrophobicContact CB-CZ3 4.07Å
90R91.6Very high89.6Confident67 Ų6768.1 Ų68.125%0.25336%0.356SS..EExtended strand (participates in β ladder)trans-117.4130.8175.4-175.3-172.279.8128.9-3.7110.6Y19 G95 Y96Y19-R90 VanDerWaalsContact CE2-CD 3.43Å; R90-G95 CarbonylContact O-C 3.59Å; R90-G95 WeakPolarHBondContact O-CA 3.37Å; R90-Y96 PolarHBondContact N-O 3.29Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.26Å; R90-Y96 PolarHBondContact O-N 3.28Å
91G81.3Confident89.7Confident52 Ų5267.5 Ų67.554%0.53635%0.35SS..SBendtrans74.841.5172.400000114.4G95G91-G95 WeakPolarHBondContact O-CA 3.47Å; G91-G95 PolarHBondContact O-N 3.07Å; G91-G95 VanDerWaalsContact O-N 3.11Å
92L77.4Confident90Very high58 Ų5864.3 Ų64.330%0.30434%0.339SS..SBendtrans-55.4147176-68.2-179.2000112.2N27 V29 A89 W97N27-L92 HydrophobicContact CB-CD1 3.69Å; N27-L92 HydrophobicContact CB-CG 4.31Å; V29-L92 HydrophobicContact CG2-CD1 4.28Å; A89-L92 HydrophobicContact CB-CD2 3.7Å; A89-L92 HydrophobicContact CB-CG 4.17Å; L92-W97 HydrophobicContact CD2-CH2 3.73Å; L92-W97 HydrophobicContact CD2-CZ2 3.17Å
93P60.7Low90Very high120 Ų12064 Ų6478%0.77934%0.337SS*.SBendcis-90.5-21.9933.1-34.1000115.6G95P93-G95 PolarHBondContact O-N 3.16Å
94R73Confident90Very high246 Ų24665.1 Ų65.193%0.92834%0.342SS*.SBendtrans-93.233.3178.4-66.7-174.4177.1170-0.7112.7
95G81.3Confident89.8Confident16 Ų1665.1 Ų65.117%0.16534%0.342CS..  trans-77.1178.2-171.700000114.6R90 G91 P93R90-G95 CarbonylContact O-C 3.59Å; R90-G95 WeakPolarHBondContact O-CA 3.37Å; G91-G95 WeakPolarHBondContact O-CA 3.47Å; G91-G95 PolarHBondContact O-N 3.07Å; G91-G95 VanDerWaalsContact O-N 3.11Å; P93-G95 PolarHBondContact O-N 3.16Å
96Y90Very high89.4Confident174 Ų17465.3 Ų65.368%0.68235%0.345SS*.EExtended strand (participates in β ladder)trans-82.2133.4168.5-63.1-90.2000109.3A89 R90A89-Y96 CarbonylContact C-O 3.6Å; A89-Y96 WeakPolarHBondContact CA-O 3.27Å; R90-Y96 PolarHBondContact N-O 3.29Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.26Å; R90-Y96 PolarHBondContact O-N 3.28Å
97W93.2Very high88.5Confident104 Ų10473 Ų7339%0.39440%0.399SS..EExtended strand (participates in β ladder)trans-114.5141.9-178.6-67.680000110.8V29 L37 F87 A89 L92V29-W97 HydrophobicContact CB-CH2 4.28Å; V29-W97 HydrophobicContact CB-CZ3 3.89Å; V29-W97 HydrophobicContact CG1-CH2 4.19Å; V29-W97 HydrophobicContact CG1-CZ3 4.1Å; V29-W97 HydrophobicContact CG2-CH2 3.9Å; V29-W97 HydrophobicContact CG2-CZ3 3.84Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.29Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.9Å; F87-W97 HydrophobicContact CG-CE3 4.22Å; F87-W97 HydrophobicContact CG-CZ3 4.41Å; A89-W97 HydrophobicContact CB-CD2 3.7Å; A89-W97 HydrophobicContact CB-CE3 3.74Å; A89-W97 HydrophobicContact CB-CG 4.2Å; A89-W97 HydrophobicContact CB-CH2 4.38Å; A89-W97 HydrophobicContact CB-CZ2 4.38Å; A89-W97 HydrophobicContact CB-CZ3 4.07Å; L92-W97 HydrophobicContact CD2-CH2 3.73Å; L92-W97 HydrophobicContact CD2-CZ2 3.17Å
98G93.1Very high88.1Confident28 Ų2875.2 Ų75.229%0.28941%0.412SS..  trans-70.4164.3165.300000111.4C88 G100C88-G98 PolarHBondContact O-N 3Å; G98-G100 PolarHBondContact O-N 3.36Å; G98-G100 VanDerWaalsContact O-N 3.13Å
99Q93.2Very high87.7Confident205 Ų20578.4 Ų78.496%0.95843%0.429SS*.  trans-62.8-19.9179.4-66.3179.9-9.700113.6
100G94.3Very high87.3Confident28 Ų2882.7 Ų82.729%0.28945%0.452SS..  trans89.3153-17700000112.8Y86 G98Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.35Å; G98-G100 PolarHBondContact O-N 3.36Å; G98-G100 VanDerWaalsContact O-N 3.13Å
101T95.8Very high87Confident57 Ų5783.6 Ų83.635%0.3546%0.464SS..EExtended strand (participates in β ladder)trans-124.4117.9176.8-56.80000109.1I12 Y86 L103I12-T101 HydrophobicContact CG2-CG2 4.4Å; Y86-T101 PolarHBondContact N-O 3.09Å; Y86-T101 PolarHBondContact O-N 2.86Å; T101-L103 PolarHBondContact O-N 3.04Å
102T96.3Very high87.4Confident60 Ų6085.6 Ų85.637%0.36846%0.46SS..EExtended strand (participates in β ladder)trans-78.1119.8175.2-49.80000110.3P1 E2P1-T102 CarbonylContact C-O 3.37Å; P1-T102 VanDerWaalsContact CA-O 3.25Å; P1-T102 WeakPolarHBondContact CA-O 3.45Å; P1-T102 HydrophobicContact CB-CG2 4.4Å; E2-T102 PolarHBondContact N-O 3.29Å
103L94.9Very high88Confident3 Ų387.4 Ų87.42%0.01647%0.47CS..EExtended strand (participates in β ladder)trans-109.8129.8171.6-178.967.8000108.8E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105E2-L103 HydrophobicContact CB-CD1 4.15Å; V4-L103 HydrophobicContact CG1-CD1 4.05Å; V4-L103 HydrophobicContact CG2-CD1 3.83Å; V4-L103 HydrophobicContact CG2-CG 4.48Å; V10-L103 HydrophobicContact CB-CD1 4.44Å; V10-L103 HydrophobicContact CG1-CD1 4.1Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.28Å; L75-L103 HydrophobicContact CD1-CD2 4.14Å; L78-L103 HydrophobicContact CD1-CD2 4.19Å; L78-L103 HydrophobicContact CD2-CD2 4.04Å; S83-L103 VanDerWaalsContact CA-O 3.3Å; S83-L103 WeakPolarHBondContact CA-O 3.43Å; A84-L103 PolarHBondContact N-O 2.65Å; A84-L103 PolarHBondContact O-N 2.81Å; Y86-L103 HydrophobicContact CD2-CB 3.94Å; Y86-L103 HydrophobicContact CD2-CD2 4.41Å; Y86-L103 HydrophobicContact CE2-CB 3.77Å; Y86-L103 HydrophobicContact CE2-CD2 3.71Å; Y86-L103 HydrophobicContact CE2-CG 4.38Å; T101-L103 PolarHBondContact O-N 3.04Å; L103-V105 HydrophobicContact CG-CG2 4.44Å
104T95.2Very high90Very high58 Ų5885.1 Ų85.136%0.35645%0.448SS..EExtended strand (participates in β ladder)trans-119.8122.1174-50.30000108.5E2 L3 V4E2-T104 PolarHBondContact O-N 2.91Å; L3-T104 WeakPolarHBondContact CA-O 3.41Å; L3-T104 HydrophobicContact CD1-CG2 3.93Å; V4-T104 PolarHBondContact N-O 2.62Å
105V93.3Very high91.3Very high7 Ų772.7 Ų72.74%0.04241%0.411CS..EExtended strand (participates in β ladder)trans-101.3121.5174.5-170.90000107.6V4 P6 L78 T79 D82 S83 L103V4-V105 HydrophobicContact CG2-CB 4.23Å; V4-V105 HydrophobicContact CG2-CG1 4.29Å; V4-V105 HydrophobicContact CG2-CG2 3.74Å; V4-V105 CarbonylContact O-C 3.6Å; V4-V105 WeakPolarHBondContact O-CA 3.41Å; P6-V105 HydrophobicContact CG-CG1 4.32Å; L78-V105 HydrophobicContact CB-CG1 4.23Å; L78-V105 HydrophobicContact CB-CG2 4.05Å; L78-V105 HydrophobicContact CD1-CG2 4.39Å; T79-V105 WeakPolarHBondContact O-CB 3.22Å; T79-V105 WeakPolarHBondContact O-CG2 3.47Å; D82-V105 HydrophobicContact CB-CG2 4.15Å; S83-V105 PolarHBondContact OG-N 2.79Å; S83-V105 PolarHBondContact OG-O 3.25Å; L103-V105 HydrophobicContact CG-CG2 4.44Å
106S89Confident92.1Very high43 Ų4377.4 Ų77.430%0.30143%0.431SS..  trans-61.8144.3176.965.30000110V4 P6V4-S106 PolarHBondContact O-N 3.21Å; V4-S106 PolarHBondContact O-OG 2.87Å; P6-S106 WeakPolarHBondContact CD-O 3.46Å; P6-S106 WeakPolarHBondContact CD-OG 3.24Å; P6-S106 WeakPolarHBondContact CG-O 3.31Å
107S77.3Confident92.3Very high162 Ų16268.6 Ų68.6100%1.13341%0.409SS*.  trans-75.10171.644.60000112.4

Retrieved 107 of 107 residues in 35.6 ms (Link to these results)

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