RHOA_BOVIN Loading...

Transforming protein RhoA

Small GTPase which cycles between an active GTP-bound and an inactive GDP-bound state. Mainly associated with cytoskeleton organization, in active state binds to a variety of effector proteins to regulate cellular responses such as cytoskeletal dynamics, cell migration and cell cycle. Regulates a signal transduction pathway linking plasma membrane receptors to the assembly of focal adhesions and actin stress fibers. Involved in a microtubule-dependent signal that is required for the myosin contractile ring formation during cell cycle cytokinesis. Plays an essential role in cleavage furrow formation. Required for the apical junction formation of keratinocyte cell-cell adhesion. Essential for the SPATA13-mediated regulation of cell migration and adhesion assembly and disassembly. The MEMO1-RHOA-DIAPH1 signaling pathway plays an important role in ERBB2-dependent stabilization of microtubules at the cell cortex. It controls the localization of APC and CLASP2 to the cell membrane, via the regulation of GSK3B activity. In turn, membrane-bound APC allows the localization of the MACF1 to the cell membrane, which is required for microtubule capture and stabilization. Involved in the reorientation of endothelial cells and their actin stress fibers in response to cellular mechantransduction-mediated activation by ARHGEF40 (By similarity). Regulates KCNA2 potassium channel activity by reducing its location at the cell surface in response to CHRM1 activation; promotes KCNA2 endocytosis. Acts as an allosteric activator of guanine nucleotide exchange factor ECT2 by binding in its activated GTP-bound form to the PH domain of ECT2 which stimulates the release of PH inhibition and promotes the binding of substrate RHOA to the ECT2 catalytic center. May be an activator of PLCE1. In neurons, involved in the inhibition of the initial spine growth. Upon activation by CaMKII, modulates dendritic spine structural plasticity by relaying CaMKII transient activation to synapse-specific, long-term signaling. Acts as a regulator of platelet alpha-granule release during activation and aggregation of platelets (By similarity). When activated by DAAM1 may signal centrosome maturation and chromosomal segregation during cell division. May also be involved in contractile ring formation during cytokinesis.

AlphaFold DB , UniProt , Accession P61585, Species BOVIN (Bos taurus, Bovine), Gene RHOA, Length 193 aa.

Structure Viewer
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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
1M49.4Very low87.9Confident240 Ų24061.3 Ų61.3100%1.18233%0.334SS*.  0144.90-78.3-178-154.200107.8A3M1-A3 PolarHBondContact O-N 3.33Å
2A59.2Low88.8Confident100 Ų10056.2 Ų56.283%0.82631%0.306SS*.PPolyproline II helixtrans-62.7130.8170.200000108.8
3A76.3Confident89.5Confident63 Ų6353.5 Ų53.552%0.52129%0.292SS..PPolyproline II helixtrans-57.6140.4171.900000108.9M1 R5M1-A3 PolarHBondContact O-N 3.33Å; A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å
4I94.2Very high90Very high71 Ų7152.1 Ų52.136%0.36430%0.296SS..EExtended strand (participates in β ladder)trans-64.9118171.4-62.6170.9000105.8K6 K51 V53 E54 L179I4-K6 HydrophobicContact CG2-CG 4.34Å; I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; I4-E54 PolarHBondContact O-N 3.27Å; I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å
5R96.6Very high90.4Very high152 Ų15252.1 Ų52.157%0.57430%0.304SS*.EExtended strand (participates in β ladder)trans-102.5135.6177.2-170.4176.9176.6138.3-7.8110.2A3 E54A3-R5 PolarHBondContact O-N 2.99Å; A3-R5 VanDerWaalsContact O-N 3.13Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å
6K97.7Very high90.8Very high23 Ų2348.9 Ų48.910%0.129%0.286CS..EExtended strand (participates in β ladder)trans-131.8134.9177.7-70.1-64.3-179167.90111.2I4 V53 E54 L55 A56 D78 A178I4-K6 HydrophobicContact CG2-CG 4.34Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; K6-E54 PolarHBondContact N-O 2.76Å; K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; K6-A56 PolarHBondContact O-N 3.09Å; K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å
7K98.2Very high91.3Very high25 Ų2546.9 Ų46.911%0.10928%0.278CS..EExtended strand (participates in β ladder)trans-94.4123.1176177.6172170.9174.60110.4V9 A56 W58 S73 P75 D78 V79K7-V9 HydrophobicContact CG-CG2 4.44Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; K7-P75 PolarHBondContact NZ-O 3.32Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; K7-V79 PolarHBondContact O-N 3.13Å
8L98.7Very high91.7Very high0 Ų044.9 Ų44.90%027%0.266CS..EExtended strand (participates in β ladder)trans-112.9127.6174179.8158.5000108.4I10 L22 A56 L57 W58 V79 L81 F171 A174L8-I10 HydrophobicContact CD2-CB 4.43Å; L8-L22 HydrophobicContact CD2-CD2 4.4Å; L8-A56 PolarHBondContact N-O 2.74Å; L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L8-W58 PolarHBondContact O-N 3.14Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L8-A174 HydrophobicContact CD1-CB 3.91Å
9V98.8Very high92Very high0 Ų044.1 Ų44.10%026%0.261CS..EExtended strand (participates in β ladder)trans-111.5132.7170.9179.50000108.5K7 V11 W58 T60 S73 Y74 T77 V79 I80 L81K7-V9 HydrophobicContact CG-CG2 4.44Å; V9-V11 HydrophobicContact CG1-CG1 4.15Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; V9-T60 HydrophobicContact CG1-CG2 3.81Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V9-L81 PolarHBondContact O-N 3.13Å
10I98.8Very high92.3Very high0 Ų043.3 Ų43.30%026%0.257CS..EExtended strand (participates in β ladder)trans-104.2134.4176-168.1164.6000110.1L8 K18 L21 L22 W58 D59 T60 L81 C83L8-I10 HydrophobicContact CD2-CB 4.43Å; I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; I10-L21 HydrophobicContact CD1-CD2 4.13Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; I10-D59 HydrophobicContact CG2-CB 4.5Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; I10-C83 VanDerWaalsContact CD1-SG 3.56Å
11V98.8Very high92.6Very high0 Ų041.2 Ų41.20%025%0.245CC..EExtended strand (participates in β ladder)trans-137.5166.4-179.5-57.50000110.5V9 K18 Y74 I80 L81 M82 C83 W99 V103V9-V11 HydrophobicContact CG1-CG1 4.15Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; V11-L81 PolarHBondContact N-O 2.87Å; V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; V11-C83 PolarHBondContact O-N 2.85Å; V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; V11-V103 HydrophobicContact CG2-CG2 3.87Å
12G98.7Very high95Very high0 Ų029.8 Ų29.80%019%0.189CC..EExtended strand (participates in β ladder)trans135.7169-173.700000111.7K18 G62 C83 W99G12-K18 PolarHBondContact O-NZ 2.94Å; G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å
13D98.3Very high96.8Very high22 Ų2226.1 Ų26.112%0.11816%0.155CC..  trans-55.8159.9-173.8-78-1.8000114.7C16 K18 S91 N94 W99D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; D13-K18 PolarHBondContact O-NZ 3.18Å; D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; D13-N94 PolarHBondContact OD2-ND2 3.45Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å
14G95.8Very high97.8Very high34 Ų3423.4 Ų23.435%0.35113%0.132SC..THydrogen-bonded Turntrans-53143.1166.900000110.8C16 G62G14-C16 PolarHBondContact O-N 2.8Å; G14-G62 PolarHBondContact N-O 2.77Å
15A95.9Very high98Very high51 Ų5121.9 Ų21.942%0.42112%0.123SC..THydrogen-bonded Turntrans57.611.617800000117.1G17 Y34 K118A15-G17 PolarHBondContact O-N 3.02Å; A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å
16C98Very high98Very high2 Ų216.1 Ų16.11%0.01411%0.106CC..SBendtrans-76.7-0.1177.178.80000114.4D13 G14 K18 N117D13-C16 HydrophobicContact CB-CB 4.47Å; D13-C16 PolarHBondContact O-N 2.83Å; D13-C16 PolarHBondContact O-SG 2.7Å; G14-C16 PolarHBondContact O-N 2.8Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å
17G98.2Very high97.9Very high15 Ų1521 Ų2116%0.15513%0.127CC..SBendtrans97.911.317300000116.7A15 T19 C20 L21A15-G17 PolarHBondContact O-N 3.02Å; G17-T19 PolarHBondContact O-N 3.08Å; G17-C20 PolarHBondContact O-N 3.36Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å
18K98.5Very high97.7Very high11 Ų1125 Ų255%0.04815%0.15CC..Hα-helixtrans-50.8-56.4178.6-57.8-173.5-61.7-73.20113.1I10 V11 G12 D13 C16 C20 L21 L22 T60 C83I10-K18 HydrophobicContact CD1-CB 3.73Å; I10-K18 HydrophobicContact CD1-CG 4.07Å; I10-K18 HydrophobicContact CG1-CB 3.93Å; I10-K18 HydrophobicContact CG1-CD 4.04Å; I10-K18 HydrophobicContact CG1-CG 3.88Å; I10-K18 HydrophobicContact CG2-CB 4.15Å; I10-K18 HydrophobicContact CG2-CD 4.47Å; V11-K18 VanDerWaalsContact C-CD 3.48Å; G12-K18 PolarHBondContact O-NZ 2.94Å; D13-K18 PolarHBondContact O-NZ 3.18Å; C16-K18 VanDerWaalsContact SG-CG 3.58Å; K18-C20 PolarHBondContact O-N 3.1Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; K18-L22 PolarHBondContact O-N 2.8Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; K18-C83 HydrophobicContact CG-CB 4.11Å
19T98.1Very high97.5Very high29 Ų2931.4 Ų31.418%0.17818%0.179CC..Hα-helixtrans-62.7-43.7-177.6-52.30000111.9G17 L21 L22 I23 T37 D59G17-T19 PolarHBondContact O-N 3.08Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; T19-L22 PolarHBondContact O-N 3.19Å; T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; T19-T37 PolarHBondContact OG1-OG1 2.84Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å
20C98.2Very high97.3Very high28 Ų2835.2 Ų35.219%0.18920%0.196CC..Hα-helixtrans-59.7-42.2175.7-56.70000111.8G17 K18 I23 V24 F30 P31 A161G17-C20 PolarHBondContact O-N 3.36Å; K18-C20 PolarHBondContact O-N 3.1Å; C20-I23 PolarHBondContact O-N 2.8Å; C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; C20-P31 HydrophobicContact CB-CG 4.29Å; C20-A161 HydrophobicContact CB-CB 3.89Å
21L98.8Very high97Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-61.2-47.3177.6177.159.8000111.6I10 G17 K18 T19 F25 L81 V115 V167 V170 F171I10-L21 HydrophobicContact CD1-CD2 4.13Å; G17-L21 WeakPolarHBondContact O-CB 3.34Å; G17-L21 PolarHBondContact O-N 3.2Å; K18-L21 WeakPolarHBondContact O-CB 3.12Å; K18-L21 PolarHBondContact O-N 3.26Å; T19-L21 VanDerWaalsContact C-N 3.31Å; T19-L21 PolarHBondContact O-N 2.67Å; L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L21-V115 HydrophobicContact CD2-CG1 4.24Å; L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; L21-V170 HydrophobicContact CD2-CG1 4.38Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å
22L98.6Very high96.5Very high0 Ų045.8 Ų45.80%025%0.249CC..Hα-helixtrans-64.9-43.9178.5-66.1-176.1000112.6L8 I10 K18 T19 F25 S26 Y42 L57 D59 F171L8-L22 HydrophobicContact CD2-CD2 4.4Å; I10-L22 HydrophobicContact CD1-CD2 4.32Å; I10-L22 HydrophobicContact CD1-CG 4.31Å; I10-L22 HydrophobicContact CG2-CD1 3.63Å; I10-L22 HydrophobicContact CG2-CD2 4.4Å; I10-L22 HydrophobicContact CG2-CG 4.16Å; K18-L22 PolarHBondContact O-N 2.8Å; T19-L22 PolarHBondContact O-N 3.19Å; L22-F25 PolarHBondContact O-N 2.86Å; L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å
23I97.1Very high95.9Very high23 Ų2351.4 Ų51.412%0.11828%0.283CS..Hα-helixtrans-66.5-44.9-179.4-67.1175000110.4T19 C20 F25 S26 K27 Q29 P31 Y42T19-I23 HydrophobicContact CG2-CD1 3.68Å; T19-I23 HydrophobicContact CG2-CG1 4.29Å; T19-I23 WeakPolarHBondContact O-CB 3.48Å; T19-I23 VanDerWaalsContact O-CG1 3.28Å; T19-I23 WeakPolarHBondContact O-CG1 3.38Å; T19-I23 PolarHBondContact O-N 2.92Å; C20-I23 PolarHBondContact O-N 2.8Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å; I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; I23-P31 HydrophobicContact CD1-CG 4.18Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å
24V98.2Very high95.2Very high5 Ų556.8 Ų56.83%0.0330%0.302CS..Hα-helixtrans-62.9-41178.5170.40000110.8C20 D28 Q29 F30 A161 K164 V167C20-V24 WeakPolarHBondContact O-CB 3.43Å; C20-V24 VanDerWaalsContact O-CG2 3.24Å; C20-V24 WeakPolarHBondContact O-CG2 3.44Å; C20-V24 PolarHBondContact O-N 3.22Å; V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; V24-K164 HydrophobicContact CG1-CG 3.93Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å
25F98.3Very high94.8Very high39 Ų3960.1 Ų60.117%0.17132%0.315CS..Hα-helixtrans-66.1-45.5176.2173.5-113.4000113.1L21 L22 I23 A44 I46 L55 L57 V167 F171L21-F25 WeakPolarHBondContact O-CB 3.43Å; L21-F25 PolarHBondContact O-N 2.91Å; L21-F25 VanDerWaalsContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 2.86Å; I23-F25 VanDerWaalsContact C-N 3.31Å; I23-F25 PolarHBondContact O-N 2.85Å; F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å
26S96.2Very high94.5Very high32 Ų3260.5 Ų60.522%0.22431%0.314CS..Hα-helixtrans-83.8-27-17358.50000114.5L22 I23L22-S26 WeakPolarHBondContact O-CB 3.42Å; L22-S26 PolarHBondContact O-N 3.08Å; L22-S26 PolarHBondContact O-OG 2.85Å; I23-S26 PolarHBondContact O-N 2.83Å
27K95.1Very high94.2Very high126 Ų12661.2 Ų61.255%0.54832%0.318SS..Hα-helixtrans-126.4-1.5-172.6-57.3-173.9-176.5172.30114I23 Q29I23-K27 HydrophobicContact CG2-CB 4.39Å; I23-K27 HydrophobicContact CG2-CD 4.33Å; I23-K27 WeakPolarHBondContact O-CA 3.11Å; I23-K27 WeakPolarHBondContact O-CB 3.4Å; I23-K27 PolarHBondContact O-N 2.89Å; K27-Q29 PolarHBondContact O-N 3.42Å
28D94.7Very high93.7Very high109 Ų10964.1 Ų64.158%0.58333%0.333SS*.SBendtrans56.321.8-178.6-16045000114.9V24 K164V24-D28 WeakPolarHBondContact O-CA 3.4Å; V24-D28 PolarHBondContact O-N 2.86Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å
29Q94.1Very high93.3Very high133 Ų13367.4 Ų67.462%0.62135%0.347SS*.  trans-124.9133.3-177-173.317829.500110.9I23 V24 K27I23-Q29 WeakPolarHBondContact CG2-O 3.44Å; V24-Q29 VanDerWaalsContact CG2-O 3.32Å; V24-Q29 WeakPolarHBondContact CG2-O 3.49Å; K27-Q29 PolarHBondContact O-N 3.42Å
30F94.2Very high93.1Very high80 Ų8070.2 Ų70.235%0.35136%0.358SS..  trans-88.5125.3171.8-175.3-97.3000110.2C20 V24 A161 K162C20-F30 HydrophobicContact CB-CD2 4.39Å; C20-F30 HydrophobicContact CB-CE2 3.92Å; V24-F30 HydrophobicContact CG2-CB 4.03Å; V24-F30 HydrophobicContact CG2-CD2 3.95Å; V24-F30 HydrophobicContact CG2-CG 4.5Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å; F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å
31P92.2Very high93Very high35 Ų3573 Ų7323%0.22737%0.371CS..  trans-74.1127.2176.230.3-34.1000110.8C20 I23C20-P31 HydrophobicContact CB-CG 4.29Å; I23-P31 HydrophobicContact CD1-CG 4.18Å
32E88.6Confident92.8Very high188 Ų18874 Ų7488%0.87938%0.375SS*.SBendtrans-83.5-20.1179.3-63.2-171.9169.200113.4
33V87.7Confident92.7Very high117 Ų11777.8 Ų77.871%0.70940%0.398SS*.SBendtrans-107127.2-179.2-1780000109.6V35V33-V35 HydrophobicContact CG1-CG2 4.34Å
34Y83.3Confident92.6Very high136 Ų13677.2 Ų77.253%0.53340%0.397SS..  trans-86.1124.7173.4176.2-112.3000111.1A15 P36A15-Y34 HydrophobicContact CB-CE1 4.49Å; A15-Y34 HydrophobicContact CB-CE2 4.37Å; A15-Y34 PolarHBondContact N-OH 2.96Å; Y34-P36 HydrophobicContact CE1-CG 3.84Å
35V86.7Confident92.5Very high103 Ų10382.8 Ų82.862%0.62443%0.426SS*.  trans-126.9125.7169-179.20000107.3V33 T37V33-V35 HydrophobicContact CG1-CG2 4.34Å; V35-T37 PolarHBondContact O-N 3.16Å
36P90.5Very high92.5Very high59 Ų5981.2 Ų81.238%0.38342%0.42SS..  trans-60.7122.3175.3-22.632.3000111.9Y34 Q63Y34-P36 HydrophobicContact CE1-CG 3.84Å; P36-Q63 VanDerWaalsContact CB-NE2 3.26Å
37T90.7Very high92.4Very high17 Ų1784.4 Ų84.410%0.10443%0.431CS..  trans-75.6135.1-178.7-49.20000110.9T19 V35 E40 D59 A61T19-T37 PolarHBondContact OG1-OG1 2.84Å; V35-T37 PolarHBondContact O-N 3.16Å; T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å
38V88.5Confident92.5Very high77 Ų7778.6 Ų78.647%0.46741%0.406SS..SBendtrans-85.1-63166.3175.60000108.9A61 Y66V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å
39F90.1Very high92.4Very high80 Ų8078.5 Ų78.535%0.35141%0.406SS..EExtended strand (participates in β ladder)trans-166133.1177.2173-107.2000109.3N41 W58 D59 S73F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å
40E94Very high92.4Very high87 Ų8775.2 Ų75.241%0.40741%0.407SS..EExtended strand (participates in β ladder)trans-142.9153.9175.5-68.2-170.8-170.300111.3T37 Y42 D59T37-E40 HydrophobicContact CG2-CB 4.42Å; T37-E40 HydrophobicContact CG2-CG 4.06Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å
41N94.7Very high92.4Very high87 Ų8776.3 Ų76.347%0.46541%0.412SS..EExtended strand (participates in β ladder)trans-121.8136.5176.9-71.9-49.7000111F39 L57 W58F39-N41 WeakPolarHBondContact CE1-ND2 3.45Å; F39-N41 VanDerWaalsContact CZ-CG 3.46Å; F39-N41 WeakPolarHBondContact CZ-ND2 3.24Å; F39-N41 WeakPolarHBondContact CZ-OD1 3.16Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å
42Y95.5Very high92.6Very high22 Ų2279.9 Ų79.99%0.08643%0.425CS..EExtended strand (participates in β ladder)trans-126.2159.6173.3-53.9-100.9000109.8L22 I23 E40 L57 D59L22-Y42 HydrophobicContact CB-CD2 4.49Å; L22-Y42 HydrophobicContact CD1-CD2 4.3Å; L22-Y42 HydrophobicContact CD1-CE2 4.46Å; I23-Y42 HydrophobicContact CG1-CE1 3.94Å; I23-Y42 WeakPolarHBondContact CG1-OH 3.38Å; E40-Y42 HydrophobicContact CB-CE2 3.81Å; E40-Y42 VanDerWaalsContact OE2-CZ 3.3Å; E40-Y42 PolarHBondContact OE2-OH 3.35Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å
43V95.7Very high93Very high79 Ų7971 Ų7148%0.47938%0.384SS..EExtended strand (participates in β ladder)trans-125.4136.6169.4-178.40000107.6E54 L55V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å
44A96.4Very high93.5Very high11 Ų1167.8 Ų67.89%0.09136%0.361CS..EExtended strand (participates in β ladder)trans-143.7139.3174.900000109.9F25 L55 L57F25-A44 HydrophobicContact CD1-CB 4.03Å; F25-A44 HydrophobicContact CE1-CB 3.49Å; F25-A44 VanDerWaalsContact CE1-CB 3.49Å; F25-A44 HydrophobicContact CZ-CB 4.18Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; A44-L57 HydrophobicContact CB-CD1 4.08Å
45D96.1Very high94.2Very high121 Ų12161.3 Ų61.365%0.64734%0.336SS*.EExtended strand (participates in β ladder)trans-92137.7173.8-65.4-50.1000110.2
46I96.7Very high94.7Very high7 Ų756.7 Ų56.74%0.03631%0.309CS..EExtended strand (participates in β ladder)trans-141.6140175.8-167.2174.4000110.8F25 V48 V53 L55 F171 E172 T175F25-I46 HydrophobicContact CE2-CD1 4.07Å; F25-I46 HydrophobicContact CZ-CB 4.22Å; F25-I46 HydrophobicContact CZ-CD1 4.01Å; I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; I46-F171 HydrophobicContact CD1-CB 4Å; I46-E172 HydrophobicContact CD1-CG 3.8Å; I46-T175 HydrophobicContact CG2-CG2 4.14Å
47E95.5Very high95.1Very high99 Ų9953.9 Ų53.946%0.46329%0.29SS..EExtended strand (participates in β ladder)trans-98122.5170-170179.3162.200110K51 Q52E47-K51 WeakPolarHBondContact CA-O 3.3Å; E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å
48V95.9Very high95.5Very high3 Ų356.1 Ų56.12%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-132.6125.1176.9-179.70000109.7I46 G50 K51 E172 T175 R176I46-V48 HydrophobicContact CD1-CG2 3.97Å; I46-V48 HydrophobicContact CG1-CG2 3.97Å; I46-V48 HydrophobicContact CG2-CG2 4.33Å; V48-G50 PolarHBondContact O-N 3.42Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V48-R176 HydrophobicContact CG1-CB 4.24Å
49D94Very high95.9Very high108 Ų10852.4 Ų52.458%0.57827%0.274SS*.THydrogen-bonded Turntrans51.341.7178.7-50.4-24.8000112.3K51 R176D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å
50G93Very high96.3Very high63 Ų6348.7 Ų48.765%0.64926%0.258SS*.THydrogen-bonded Turntrans75.98.8-179.400000115.4V48V48-G50 PolarHBondContact O-N 3.42Å
51K94.1Very high96.4Very high104 Ų10444.7 Ų44.745%0.45224%0.24SC..EExtended strand (participates in β ladder)trans-109.5124.5178.7-63.4175.1-176.6171.50110.3I4 E47 V48 D49 V53 L179I4-K51 HydrophobicContact CD1-CB 4.3Å; I4-K51 HydrophobicContact CD1-CD 4.25Å; I4-K51 HydrophobicContact CD1-CG 4.48Å; E47-K51 WeakPolarHBondContact CA-O 3.3Å; V48-K51 PolarHBondContact N-O 3.06Å; V48-K51 WeakPolarHBondContact O-CB 3.33Å; V48-K51 PolarHBondContact O-N 2.97Å; D49-K51 VanDerWaalsContact C-N 3.31Å; D49-K51 PolarHBondContact O-N 3.24Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å
52Q96.2Very high96.3Very high110 Ų11041 Ų4151%0.51422%0.223SC..EExtended strand (participates in β ladder)trans-76.5122.6169.6-63.5-63.4-17.100109.8E47E47-Q52 VanDerWaalsContact CD-NE2 3.32Å; E47-Q52 PolarHBondContact OE2-NE2 3.01Å
53V97.6Very high96.1Very high1 Ų143.3 Ų43.31%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-126.1126.8-177.9-176.40000110.2I4 K6 I46 K51 L55 T175 L179I4-V53 HydrophobicContact CB-CG2 4.32Å; I4-V53 HydrophobicContact CG2-CG2 4.33Å; I4-V53 CarbonylContact O-C 3.59Å; I4-V53 VanDerWaalsContact O-CA 3.24Å; I4-V53 WeakPolarHBondContact O-CA 3.19Å; I4-V53 WeakPolarHBondContact O-CG1 3.22Å; K6-V53 HydrophobicContact CB-CG1 3.96Å; K6-V53 HydrophobicContact CG-CG1 3.82Å; I46-V53 HydrophobicContact CG2-CB 4.22Å; I46-V53 PolarHBondContact N-O 2.53Å; I46-V53 PolarHBondContact O-N 2.93Å; K51-V53 HydrophobicContact CB-CG2 4.47Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å
54E97.7Very high95.9Very high50 Ų5045.7 Ų45.723%0.23424%0.24CC..EExtended strand (participates in β ladder)trans-86114.8166.7-176.6-172.882.900108.2I4 R5 K6 V43I4-E54 PolarHBondContact O-N 3.27Å; R5-E54 CarbonylContact C-O 3.53Å; R5-E54 WeakPolarHBondContact CA-O 3.24Å; R5-E54 WeakPolarHBondContact CD-OE1 3.24Å; R5-E54 HydrophobicContact CG-CB 4.44Å; R5-E54 IonicContact CZ-OE1 3.99Å; R5-E54 IonicContact NE-OE1 3.77Å; R5-E54 PolarHBondContact NE-OE1 3.24Å; R5-E54 IonicContact NH1-OE1 2.77Å; R5-E54 PolarHBondContact NH1-OE1 2.98Å; K6-E54 PolarHBondContact N-O 2.76Å; V43-E54 HydrophobicContact CG1-CG 3.49Å; V43-E54 VanDerWaalsContact CG1-CG 3.49Å
55L98Very high95.8Very high0 Ų051.9 Ų51.90%027%0.272CS..EExtended strand (participates in β ladder)trans-90.1118.5173.6-70.4174000110.2K6 F25 V43 A44 I46 V53 L57 F171K6-L55 HydrophobicContact CB-CD2 3.96Å; K6-L55 CarbonylContact O-C 3.58Å; K6-L55 WeakPolarHBondContact O-CA 3.25Å; F25-L55 HydrophobicContact CE1-CD1 3.91Å; F25-L55 HydrophobicContact CZ-CD1 4.06Å; V43-L55 WeakPolarHBondContact CA-O 3.09Å; A44-L55 PolarHBondContact N-O 3.36Å; A44-L55 VanDerWaalsContact N-O 3.08Å; A44-L55 WeakPolarHBondContact O-CB 3.47Å; A44-L55 PolarHBondContact O-N 2.86Å; I46-L55 HydrophobicContact CG2-CD1 3.72Å; I46-L55 HydrophobicContact CG2-CG 3.99Å; V53-L55 HydrophobicContact CG1-CD2 4.3Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å
56A98.2Very high95.7Very high6 Ų649.1 Ų49.15%0.0525%0.253CS..EExtended strand (participates in β ladder)trans-86.2108.2162.700000108.4K6 K7 L8K6-A56 PolarHBondContact O-N 3.09Å; K7-A56 WeakPolarHBondContact CA-O 3.29Å; L8-A56 PolarHBondContact N-O 2.74Å
57L98.6Very high95.6Very high0 Ų051.6 Ų51.60%027%0.266CS..EExtended strand (participates in β ladder)trans-97.6121.6-174.7-51.4173.7000109.6L8 L22 F25 N41 Y42 A44 L55 F171L8-L57 HydrophobicContact CB-CD2 4.06Å; L8-L57 HydrophobicContact CD1-CD2 4.15Å; L8-L57 HydrophobicContact CD2-CD2 4.1Å; L8-L57 HydrophobicContact CG-CD2 4.35Å; L22-L57 HydrophobicContact CD2-CB 4.12Å; L22-L57 HydrophobicContact CD2-CD1 4.21Å; L22-L57 HydrophobicContact CD2-CD2 4.39Å; L22-L57 HydrophobicContact CD2-CG 4.48Å; F25-L57 HydrophobicContact CD1-CD1 3.89Å; F25-L57 HydrophobicContact CE1-CD1 4.17Å; N41-L57 WeakPolarHBondContact CA-O 3.4Å; Y42-L57 PolarHBondContact N-O 3.42Å; Y42-L57 PolarHBondContact O-N 2.89Å; A44-L57 HydrophobicContact CB-CD1 4.08Å; L55-L57 HydrophobicContact CB-CD2 3.74Å; L55-L57 HydrophobicContact CB-CG 4.29Å; L55-L57 HydrophobicContact CD1-CD2 4.24Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å
58W98.6Very high95.5Very high63 Ų6358 Ų5824%0.23929%0.286CS..EExtended strand (participates in β ladder)trans-110.4105-177.6-71.959.9000109.1K7 L8 V9 I10 F39 N41K7-W58 HydrophobicContact CD-CD2 4.49Å; K7-W58 VanDerWaalsContact CE-CE2 3.49Å; K7-W58 HydrophobicContact CG-CG 4.47Å; L8-W58 PolarHBondContact O-N 3.14Å; V9-W58 HydrophobicContact CB-CB 4.32Å; V9-W58 HydrophobicContact CG1-CB 4.42Å; V9-W58 HydrophobicContact CG2-CB 3.81Å; V9-W58 HydrophobicContact CG2-CG 4.2Å; I10-W58 WeakPolarHBondContact CG2-O 3.37Å; I10-W58 PolarHBondContact N-O 3.36Å; I10-W58 VanDerWaalsContact N-O 3.09Å; F39-W58 HydrophobicContact CE1-CE3 4.48Å; F39-W58 HydrophobicContact CE1-CZ3 4.32Å; F39-W58 HydrophobicContact CE2-CB 4.3Å; F39-W58 HydrophobicContact CE2-CD2 4.06Å; F39-W58 AromaticContact CE2-CE3 3.32Å; F39-W58 HydrophobicContact CE2-CE3 3.32Å; F39-W58 AromaticContact CE2-CZ3 3.88Å; F39-W58 HydrophobicContact CE2-CZ3 3.88Å; F39-W58 AromaticContact CZ-CD2 3.93Å; F39-W58 HydrophobicContact CZ-CD2 3.93Å; F39-W58 AromaticContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CE3 3.21Å; F39-W58 HydrophobicContact CZ-CH2 4.2Å; F39-W58 AromaticContact CZ-CZ3 3.36Å; F39-W58 HydrophobicContact CZ-CZ3 3.36Å; N41-W58 VanDerWaalsContact OD1-CD2 3.25Å
59D98.1Very high95.5Very high0 Ų062.5 Ų62.50%031%0.309CS..EExtended strand (participates in β ladder)trans-83.1136176.2-160.21.5000111I10 T19 L22 T37 F39 E40 Y42I10-D59 HydrophobicContact CG2-CB 4.5Å; T19-D59 VanDerWaalsContact CA-OD2 3.31Å; T19-D59 WeakPolarHBondContact CA-OD2 3.41Å; T19-D59 WeakPolarHBondContact CB-OD2 3.38Å; T19-D59 WeakPolarHBondContact CG2-OD2 3.44Å; T19-D59 PolarHBondContact OG1-OD2 3.13Å; L22-D59 HydrophobicContact CD1-CB 3.47Å; L22-D59 VanDerWaalsContact CD1-CB 3.47Å; T37-D59 HydrophobicContact CG2-CB 4.32Å; F39-D59 WeakPolarHBondContact CA-O 3.43Å; F39-D59 WeakPolarHBondContact CD2-O 3.49Å; E40-D59 HydrophobicContact CB-CB 4.19Å; E40-D59 PolarHBondContact N-O 2.87Å; E40-D59 PolarHBondContact O-N 3.23Å; Y42-D59 HydrophobicContact CE2-CB 4.27Å
60T97.8Very high95.6Very high2 Ų257.7 Ų57.71%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-127.7150.4-174.272.70000113V9 I10 K18 G62 R70V9-T60 HydrophobicContact CG1-CG2 3.81Å; I10-T60 WeakPolarHBondContact O-CG2 3.39Å; I10-T60 PolarHBondContact O-OG1 3.41Å; K18-T60 WeakPolarHBondContact CE-O 3.34Å; T60-G62 PolarHBondContact O-N 2.99Å; T60-R70 HydrophobicContact CG2-CG 4.18Å
61A95.9Very high95.8Very high3 Ų355.7 Ų55.73%0.02526%0.259CS..  trans-61.7133.3171.100000112.1T37 V38 Y66 R70T37-A61 WeakPolarHBondContact O-CA 3.36Å; T37-A61 WeakPolarHBondContact O-CB 3.49Å; V38-A61 WeakPolarHBondContact O-CB 3.41Å; V38-A61 PolarHBondContact O-N 3.16Å; V38-A61 VanDerWaalsContact O-N 3.16Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å
62G93Very high95.9Very high10 Ų1056.8 Ų56.810%0.10327%0.269CS..  trans-90.2-4.3171.700000114.6G12 G14 T60G12-G62 VanDerWaalsContact O-CA 3.25Å; G12-G62 WeakPolarHBondContact O-CA 3.33Å; G14-G62 PolarHBondContact N-O 2.77Å; T60-G62 PolarHBondContact O-N 2.99Å
63Q91.7Very high96Very high69 Ų6951.9 Ų51.932%0.32225%0.247SC..SBendtrans-84.7149.3179.7-62.6174.71000111.1P36 D65 Y66 R70P36-Q63 VanDerWaalsContact CB-NE2 3.26Å; Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; Q63-R70 PolarHBondContact O-NH2 2.69Å
64E90.8Very high96Very high130 Ų13052 Ų5261%0.60725%0.247SC*.G310 helixtrans-68.1-27.8-178.9-70.5178.5177.300113.3Y66 D67 K98E64-Y66 PolarHBondContact O-N 3.21Å; E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å
65D93.5Very high96Very high141 Ų14153.2 Ų53.275%0.75426%0.259SS*.G310 helixtrans-55.5-22.7175.6-62.8-34.8000112.8Q63Q63-D65 VanDerWaalsContact C-N 3.29Å; Q63-D65 PolarHBondContact O-N 2.56Å
66Y94.1Very high95.9Very high63 Ų6358.4 Ų58.425%0.24729%0.287CS..G310 helixtrans-104.28.3-179.9-61.6-85.7000113.9V38 A61 Q63 E64 R68 L69 R70V38-Y66 HydrophobicContact CB-CE1 4.14Å; V38-Y66 HydrophobicContact CG1-CD1 3.93Å; V38-Y66 HydrophobicContact CG1-CE1 3.49Å; V38-Y66 VanDerWaalsContact CG1-CE1 3.49Å; V38-Y66 HydrophobicContact CG2-CE1 3.89Å; V38-Y66 WeakPolarHBondContact CG2-OH 3.24Å; A61-Y66 HydrophobicContact CB-CD1 4.34Å; A61-Y66 HydrophobicContact CB-CD2 3.57Å; A61-Y66 HydrophobicContact CB-CE2 4.4Å; A61-Y66 HydrophobicContact CB-CG 3.53Å; Q63-Y66 HydrophobicContact CB-CD2 4.1Å; Q63-Y66 PolarHBondContact O-N 2.87Å; E64-Y66 PolarHBondContact O-N 3.21Å; Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å; Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; Y66-R70 PolarHBondContact O-N 3.32Å
67D94.7Very high95.9Very high59 Ų5958.7 Ų58.732%0.31629%0.288SS..THydrogen-bonded Turntrans-56.9-29.8-178.9-78-7.2000113E64 R70 P71E64-D67 VanDerWaalsContact O-CB 3.3Å; E64-D67 WeakPolarHBondContact O-CB 3.19Å; E64-D67 VanDerWaalsContact O-CG 3.23Å; E64-D67 PolarHBondContact O-N 3.48Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å
68R94.3Very high95.9Very high232 Ų23260 Ų6088%0.87530%0.295SS*.THydrogen-bonded Turntrans-81.2-23.3176.3-64.9-174.8179.1-177.10.9113.9Y66Y66-R68 PolarHBondContact O-N 3.49Å; Y66-R68 VanDerWaalsContact O-N 3.1Å
69L94.7Very high95.9Very high98 Ų9857 Ų5751%0.51328%0.284SS..THydrogen-bonded Turntrans-94.5-36.2-177.2-67.7176.9000112Y66 P71 L72Y66-L69 HydrophobicContact CD1-CD1 3.95Å; Y66-L69 HydrophobicContact CE1-CD1 4.47Å; Y66-L69 PolarHBondContact O-N 3.09Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å
70R96.9Very high95.9Very high7 Ų757 Ų573%0.02628%0.284CS..G310 helixtrans-49.7-42.2179.4-168.4-177.6-42.6106.94.8113.1T60 A61 Q63 Y66 D67 L72 S73 Y74 E102T60-R70 HydrophobicContact CG2-CG 4.18Å; A61-R70 PolarHBondContact O-NE 2.53Å; A61-R70 PolarHBondContact O-NH2 2.71Å; Q63-R70 PolarHBondContact O-NH2 2.69Å; Y66-R70 PolarHBondContact O-N 3.32Å; D67-R70 IonicContact OD1-CZ 3.56Å; D67-R70 VanDerWaalsContact OD1-CZ 3.24Å; D67-R70 IonicContact OD1-NH1 2.96Å; D67-R70 PolarHBondContact OD1-NH1 3.49Å; D67-R70 IonicContact OD1-NH2 2.73Å; D67-R70 PolarHBondContact OD1-NH2 3.31Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å
71P97.4Very high96Very high22 Ų2256.9 Ų56.914%0.14328%0.283CS..G310 helixtrans-62-20.2-179.5-26.937.5000115.6D67 L69 S73 Y74 P75 F106D67-P71 WeakPolarHBondContact O-CD 3.2Å; D67-P71 WeakPolarHBondContact O-CG 3.31Å; L69-P71 VanDerWaalsContact C-CD 3.4Å; L69-P71 VanDerWaalsContact C-N 3.29Å; P71-S73 PolarHBondContact O-N 3.44Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å
72L96.4Very high96.1Very high127 Ų12756.8 Ų56.867%0.66528%0.282SS*.G310 helixtrans-64.5-17.6173.8-57.5178000112.4L69 R70 P75L69-L72 HydrophobicContact CD2-CD1 4.16Å; L69-L72 VanDerWaalsContact O-CB 3.28Å; L69-L72 WeakPolarHBondContact O-CB 3.17Å; L69-L72 WeakPolarHBondContact O-CG 3.2Å; L69-L72 PolarHBondContact O-N 2.89Å; R70-L72 PolarHBondContact O-N 2.91Å; R70-L72 VanDerWaalsContact O-N 3.08Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å
73S97.5Very high96.4Very high6 Ų656.3 Ų56.34%0.04228%0.277CS..G310 helixtrans-81.7-18175.4-58.10000113.4K7 V9 F39 R70 P71K7-S73 WeakPolarHBondContact CE-O 3.39Å; K7-S73 PolarHBondContact NZ-O 2.73Å; V9-S73 WeakPolarHBondContact CG2-O 3.29Å; F39-S73 WeakPolarHBondContact CE2-OG 3.28Å; R70-S73 VanDerWaalsContact O-CB 3.28Å; R70-S73 WeakPolarHBondContact O-CB 3.4Å; R70-S73 PolarHBondContact O-N 3.23Å; R70-S73 PolarHBondContact O-OG 2.93Å; P71-S73 PolarHBondContact O-N 3.44Å
74Y98.3Very high96.8Very high5 Ų553 Ų532%0.0226%0.262CS..  trans-78.8-26.4-172.2-64.5-32.2000118V9 V11 R70 P71 D76 T77 I80 E102 F106V9-Y74 HydrophobicContact CG1-CD1 3.99Å; V9-Y74 HydrophobicContact CG1-CE1 3.84Å; V11-Y74 HydrophobicContact CG1-CE1 3.78Å; V11-Y74 WeakPolarHBondContact CG1-OH 3.47Å; R70-Y74 VanDerWaalsContact CD-OH 3.32Å; R70-Y74 WeakPolarHBondContact CD-OH 2.98Å; P71-Y74 VanDerWaalsContact CA-CD2 3.45Å; P71-Y74 HydrophobicContact CB-CD2 4.01Å; P71-Y74 HydrophobicContact CB-CE2 4.24Å; P71-Y74 HydrophobicContact CG-CE2 4.35Å; P71-Y74 PolarHBondContact O-N 2.96Å; P71-Y74 VanDerWaalsContact O-N 3.1Å; Y74-D76 PolarHBondContact O-N 3.3Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å
75P97.2Very high97.1Very high75 Ų7546.9 Ų46.949%0.48723%0.233SC..THydrogen-bonded Turntrans-53.3136.4178.9-29.336.3000112.7K7 P71 L72 T77K7-P75 PolarHBondContact NZ-O 3.32Å; P71-P75 WeakPolarHBondContact O-CD 3.32Å; L72-P75 WeakPolarHBondContact O-CD 3.31Å; P75-T77 PolarHBondContact O-N 3.32Å
76D96Very high97.4Very high108 Ų10840.1 Ų40.158%0.57820%0.197SC*.THydrogen-bonded Turntrans58.422.7179.2-59.4-62000115.5Y74Y74-D76 PolarHBondContact O-N 3.3Å
77T98.4Very high97.6Very high13 Ų1338.9 Ų38.98%0.0820%0.195CC..  trans-65.8133.7175-56.30000111.6V9 Y74 P75 V79 I80 V110V9-T77 HydrophobicContact CB-CG2 4.05Å; V9-T77 HydrophobicContact CG2-CG2 3.75Å; V9-T77 VanDerWaalsContact CG2-OG1 3.24Å; V9-T77 WeakPolarHBondContact CG2-OG1 3.28Å; Y74-T77 WeakPolarHBondContact O-CB 3.34Å; Y74-T77 PolarHBondContact O-N 3.03Å; Y74-T77 PolarHBondContact O-OG1 3.42Å; P75-T77 PolarHBondContact O-N 3.32Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å
78D98.4Very high97.8Very high27 Ų2738 Ų3814%0.14419%0.194CC..SBendtrans-96.5-27.4177.1-68-83.8000113.2K6 K7 P111 A178K6-D78 WeakPolarHBondContact CA-OD2 3.3Å; K6-D78 HydrophobicContact CB-CB 4.41Å; K6-D78 HydrophobicContact CD-CB 3.7Å; K6-D78 WeakPolarHBondContact CD-OD1 3.34Å; K6-D78 IonicContact NZ-OD1 3.2Å; K6-D78 PolarHBondContact NZ-OD1 3.01Å; K7-D78 PolarHBondContact N-OD2 2.87Å; K7-D78 WeakPolarHBondContact O-CA 3.24Å; K7-D78 WeakPolarHBondContact O-CB 3.08Å; K7-D78 PolarHBondContact O-N 2.91Å; D78-P111 WeakPolarHBondContact O-CD 3.38Å; D78-A178 HydrophobicContact CB-CB 4.04Å
79V98.8Very high98Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-153.8146.6176.261.60000111.1K7 L8 V9 T77 P111 I113 A174 A177 A178K7-V79 PolarHBondContact O-N 3.13Å; L8-V79 WeakPolarHBondContact CA-O 3.27Å; L8-V79 HydrophobicContact CB-CG1 3.85Å; L8-V79 HydrophobicContact CD1-CG1 4.04Å; L8-V79 HydrophobicContact CG-CG1 3.92Å; V9-V79 PolarHBondContact N-O 2.9Å; V9-V79 VanDerWaalsContact N-O 3.16Å; T77-V79 WeakPolarHBondContact CG2-O 3.32Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; V79-I113 HydrophobicContact CG2-CG1 4.16Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; V79-A177 HydrophobicContact CG2-CB 4.38Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å
80I98.9Very high98.2Very high0 Ų026.8 Ų26.80%015%0.152CC..EExtended strand (participates in β ladder)trans-107.2129.5174.2-63.6-75.8000109.4V9 V11 Y74 T77 M82 V103 V110 P111 I112 I113V9-I80 HydrophobicContact CB-CD1 3.98Å; V9-I80 HydrophobicContact CG1-CD1 4.48Å; V9-I80 WeakPolarHBondContact O-CA 3.38Å; V11-I80 HydrophobicContact CG2-CG2 3.99Å; Y74-I80 HydrophobicContact CD1-CD1 4.4Å; Y74-I80 HydrophobicContact CE1-CD1 4.44Å; T77-I80 HydrophobicContact CG2-CD1 3.84Å; T77-I80 HydrophobicContact CG2-CG1 4.26Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; I80-P111 PolarHBondContact N-O 2.64Å; I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; I80-I113 PolarHBondContact O-N 2.87Å
81L98.9Very high98.3Very high0 Ų026.5 Ų26.50%015%0.152CC..EExtended strand (participates in β ladder)trans-92.5116.4157.3-68.3-170.5000108.2L8 V9 I10 V11 L21 I113 V115 V170 F171 A174L8-L81 HydrophobicContact CD1-CD1 3.96Å; L8-L81 HydrophobicContact CD1-CD2 4.5Å; L8-L81 HydrophobicContact CD1-CG 3.88Å; L8-L81 HydrophobicContact CD2-CB 4.41Å; L8-L81 HydrophobicContact CD2-CD1 3.94Å; L8-L81 HydrophobicContact CD2-CG 3.89Å; L8-L81 HydrophobicContact CG-CD1 4.41Å; L8-L81 HydrophobicContact CG-CG 4.07Å; V9-L81 PolarHBondContact O-N 3.13Å; I10-L81 CarbonylContact C-O 3.44Å; I10-L81 VanDerWaalsContact CA-O 3.31Å; I10-L81 WeakPolarHBondContact CA-O 3.39Å; I10-L81 HydrophobicContact CB-CB 4.15Å; I10-L81 HydrophobicContact CD1-CB 4.22Å; I10-L81 HydrophobicContact CD1-CD1 4.22Å; I10-L81 HydrophobicContact CG1-CB 3.83Å; V11-L81 PolarHBondContact N-O 2.87Å; L21-L81 HydrophobicContact CD2-CD1 4.36Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; L81-A174 HydrophobicContact CD2-CB 3.78Å
82M98.9Very high98.3Very high0 Ų026.1 Ų26.10%015%0.148CC..EExtended strand (participates in β ladder)trans-106.6114.3176.4-170.3179-73.400108.1V11 I80 I95 W99 V103 I112 I113 L114 V115 I151V11-M82 HydrophobicContact CG2-CB 4.22Å; V11-M82 HydrophobicContact CG2-CE 4.49Å; V11-M82 HydrophobicContact CG2-CG 4.06Å; I80-M82 HydrophobicContact CG2-CB 4.26Å; M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; M82-I113 PolarHBondContact N-O 2.83Å; M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; M82-V115 PolarHBondContact O-N 2.93Å; M82-I151 HydrophobicContact SD-CD1 3.92Å
83C98.9Very high98.5Very high0 Ų025.2 Ų25.20%014%0.14CC..EExtended strand (participates in β ladder)trans-111.2136.4-167.2-66.40000112.4I10 V11 G12 K18 V115I10-C83 VanDerWaalsContact CD1-SG 3.56Å; V11-C83 PolarHBondContact O-N 2.85Å; G12-C83 VanDerWaalsContact CA-O 3.29Å; G12-C83 WeakPolarHBondContact CA-O 3.39Å; K18-C83 HydrophobicContact CG-CB 4.11Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å
84F98.9Very high98.5Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.6175.2159.871.8-85.2000108.8I86 S91 L92 I95 L114 V115 G116 N117 V139 Y156F84-I86 HydrophobicContact CE2-CG1 4.16Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; F84-G116 VanDerWaalsContact CZ-CA 3.41Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å
85S98.9Very high98.5Very high1 Ų126.9 Ų26.91%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-117133.3178.6-157.20000111.2D87 S88 S91 K118S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å
86I98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.134CC..THydrogen-bonded Turntrans-64.6-28.4-177-73.8162.5000112.1F84 S88 N117 K119 R122 P138 V139 E158F84-I86 HydrophobicContact CE2-CG1 4.16Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; I86-V139 PolarHBondContact O-N 3.43Å; I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å
87D98.6Very high98.7Very high37 Ų3726 Ų2620%0.19814%0.137CC..THydrogen-bonded Turntrans-81.33.9173.669.1-26000114.1S85 K118 L121 T127S85-D87 WeakPolarHBondContact CB-OD1 3.42Å; S85-D87 PolarHBondContact O-N 2.7Å; S85-D87 PolarHBondContact OG-OD1 2.86Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; D87-T127 HydrophobicContact CB-CG2 3.59Å
88S98.6Very high98.7Very high41 Ų4127.1 Ų27.129%0.28714%0.141SC..BIsolated β-bridgetrans-14089.4-178.2179.20000110.6S85 I86 D90 S91S85-S88 CarbonylContact O-C 3.58Å; S85-S88 PolarHBondContact O-N 2.77Å; S85-S88 VanDerWaalsContact O-O 3.09Å; I86-S88 VanDerWaalsContact C-N 3.27Å; I86-S88 PolarHBondContact O-N 3.26Å; S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å
89P98.7Very high98.7Very high19 Ų1925.9 Ų25.912%0.12313%0.134CC..Hα-helixtrans-54.6-39.8177.9-29.939.5000113.7S91 L92 E93 L131 Q136 E137 V139P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; P89-L131 HydrophobicContact CG-CD2 4.46Å; P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; P89-E137 WeakPolarHBondContact CG-O 3.49Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å
90D98.4Very high98.7Very high74 Ų7426.3 Ų26.340%0.39614%0.137SC..Hα-helixtrans-54.3-36.4175.9-56.6-0.5000112S88 L92 E93 N94 Q136S88-D90 VanDerWaalsContact C-N 3.27Å; S88-D90 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å
91S98.8Very high98.7Very high2 Ų229.7 Ų29.71%0.01416%0.159CC..Hα-helixtrans-68.5-23.2178.574.50000113.7D13 F84 S85 S88 P89 I95D13-S91 VanDerWaalsContact OD2-CA 3.28Å; D13-S91 WeakPolarHBondContact OD2-CA 3.33Å; D13-S91 WeakPolarHBondContact OD2-CB 3.32Å; F84-S91 WeakPolarHBondContact CB-O 3.3Å; S85-S91 PolarHBondContact N-OG 2.92Å; S85-S91 PolarHBondContact O-OG 2.94Å; S88-S91 WeakPolarHBondContact O-CB 3.46Å; S88-S91 PolarHBondContact O-N 2.78Å; S88-S91 PolarHBondContact O-OG 3.34Å; P89-S91 PolarHBondContact O-N 2.99Å; P89-S91 VanDerWaalsContact O-N 3.15Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å
92L98.9Very high98.6Very high13 Ų1330.9 Ų30.97%0.06817%0.165CC..Hα-helixtrans-77.5-40.7169.1-17870.3000110.7F84 P89 D90 N94 I95 P96 V139 E143 M147F84-L92 HydrophobicContact CB-CB 4.39Å; F84-L92 HydrophobicContact CD1-CD1 3.65Å; F84-L92 HydrophobicContact CD2-CB 3.97Å; F84-L92 HydrophobicContact CD2-CD1 4.04Å; F84-L92 HydrophobicContact CE1-CD1 3.66Å; F84-L92 HydrophobicContact CE2-CB 4.49Å; F84-L92 HydrophobicContact CE2-CD1 4.09Å; F84-L92 HydrophobicContact CG-CB 4.15Å; F84-L92 HydrophobicContact CG-CD1 3.83Å; F84-L92 HydrophobicContact CZ-CD1 3.89Å; P89-L92 WeakPolarHBondContact O-CA 3.42Å; P89-L92 WeakPolarHBondContact O-CB 3.16Å; P89-L92 PolarHBondContact O-N 3.42Å; D90-L92 VanDerWaalsContact C-N 3.25Å; D90-L92 PolarHBondContact O-N 3.49Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; L92-P96 WeakPolarHBondContact O-CD 3.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; L92-E143 HydrophobicContact CD2-CB 4.13Å; L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å
93E98.6Very high98.6Very high108 Ų10830.9 Ų30.951%0.50517%0.165SC..Hα-helixtrans-61.5-35.7177.7-64.3-178.9175.800111.9P89 D90 I95 P96 E97P89-E93 PolarHBondContact O-N 3.5Å; P89-E93 VanDerWaalsContact O-N 3.15Å; D90-E93 WeakPolarHBondContact O-CB 3.28Å; D90-E93 PolarHBondContact O-N 2.96Å; D90-E93 VanDerWaalsContact O-N 3.12Å; E93-I95 PolarHBondContact O-N 3.49Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; E93-E97 WeakPolarHBondContact O-CG 3.2Å
94N98.8Very high98.6Very high47 Ų4735.9 Ų35.925%0.25119%0.186SC..Hα-helixtrans-68-15.6175.6-72.5-27.9000113.9D13 D90 L92 E97 K98 W99D13-N94 PolarHBondContact OD2-ND2 3.45Å; D90-N94 PolarHBondContact O-N 3.46Å; D90-N94 PolarHBondContact O-ND2 3.08Å; L92-N94 VanDerWaalsContact C-N 3.26Å; L92-N94 PolarHBondContact O-N 2.91Å; N94-E97 PolarHBondContact O-N 2.91Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; N94-W99 PolarHBondContact O-N 3.28Å
95I98.8Very high98.5Very high0 Ų042.5 Ų42.50%022%0.217CC..Iπ-helixtrans-59.2-56.7-179.8-64.9-69.4000111.9M82 F84 S91 L92 E93 W99 T100 L114 M147 I151M82-I95 HydrophobicContact CG-CD1 3.73Å; M82-I95 HydrophobicContact SD-CD1 4.16Å; M82-I95 HydrophobicContact SD-CG2 3.74Å; F84-I95 HydrophobicContact CB-CD1 4.21Å; F84-I95 HydrophobicContact CB-CG1 4.22Å; S91-I95 WeakPolarHBondContact O-CG1 3.42Å; L92-I95 HydrophobicContact CD1-CG1 4.37Å; L92-I95 WeakPolarHBondContact O-CB 3.43Å; L92-I95 VanDerWaalsContact O-CG1 3.32Å; L92-I95 WeakPolarHBondContact O-CG1 3.49Å; L92-I95 PolarHBondContact O-N 2.85Å; L92-I95 VanDerWaalsContact O-N 3.07Å; E93-I95 PolarHBondContact O-N 3.49Å; I95-W99 PolarHBondContact O-N 3.37Å; I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å
96P98.6Very high98.5Very high24 Ų2447 Ų4716%0.15624%0.236CC..Iπ-helixtrans-76.4-25.3177.429.6-37.3000113.2L92 E93 P101 M147 I151L92-P96 WeakPolarHBondContact O-CD 3.42Å; E93-P96 WeakPolarHBondContact O-CD 3.49Å; E93-P96 WeakPolarHBondContact O-CG 3.42Å; P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; P96-I151 HydrophobicContact CB-CG2 4.33Å
97E97.8Very high98.4Very high140 Ų14047.3 Ų47.365%0.65424%0.239SC*.Iπ-helixtrans-82.4-36.3-173.8-64.9-172.3175.900113.1E93 N94E93-E97 WeakPolarHBondContact O-CG 3.2Å; N94-E97 PolarHBondContact O-N 2.91Å
98K97.9Very high98.2Very high37 Ų3749.8 Ų49.816%0.16126%0.257CS..Iπ-helixtrans-121.5-59.8-173.4178.5177.5-177.7169.50112.6E64 N94 P101 E102E64-K98 IonicContact OE1-NZ 3.76Å; E64-K98 PolarHBondContact OE1-NZ 3.46Å; N94-K98 WeakPolarHBondContact O-CB 3.49Å; N94-K98 PolarHBondContact O-N 3.22Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; K98-E102 PolarHBondContact O-N 3.36Å
99W98.7Very high97.9Very high0 Ų054.7 Ų54.70%028%0.28CS..Iπ-helixtrans-71.5-40.7-168-62109.5000113.1V11 G12 D13 M82 N94 I95 V103V11-W99 HydrophobicContact CB-CE3 3.88Å; V11-W99 HydrophobicContact CB-CZ3 4.13Å; V11-W99 HydrophobicContact CG2-CE3 4.25Å; G12-W99 WeakPolarHBondContact O-CH2 3.36Å; G12-W99 WeakPolarHBondContact O-CZ2 3.37Å; D13-W99 WeakPolarHBondContact OD1-CZ2 3.19Å; D13-W99 PolarHBondContact OD1-NE1 3.45Å; M82-W99 HydrophobicContact CE-CB 4.12Å; M82-W99 HydrophobicContact CG-CB 4.09Å; M82-W99 HydrophobicContact SD-CB 3.92Å; N94-W99 PolarHBondContact O-N 3.28Å; I95-W99 PolarHBondContact O-N 3.37Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å
100T98.7Very high97.9Very high10 Ų1055.2 Ų55.26%0.06128%0.283CS..Hα-helixtrans-66.5-48179.7-60.90000112.3I95 E102 V103 K104 I151I95-T100 WeakPolarHBondContact O-CB 3.35Å; I95-T100 PolarHBondContact O-N 3.06Å; I95-T100 PolarHBondContact O-OG1 3.18Å; T100-E102 PolarHBondContact O-N 2.99Å; T100-V103 PolarHBondContact O-N 3.34Å; T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å
101P98.4Very high97.9Very high70 Ų7052.6 Ų52.646%0.45527%0.27SS..Hα-helixtrans-56.4-45.8173.9-28.736.2000113.3P96 K98 K104 H105P96-P101 WeakPolarHBondContact O-CD 3.45Å; P96-P101 WeakPolarHBondContact O-CG 3.47Å; K98-P101 WeakPolarHBondContact O-CD 3.25Å; P101-K104 PolarHBondContact O-N 3.34Å; P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å
102E98.4Very high97.9Very high26 Ų2653.1 Ų53.112%0.12127%0.272CS..Hα-helixtrans-62.4-52.2179.3-173.4-177.1132.900111.5R70 Y74 K98 T100 K104 H105 F106R70-E102 WeakPolarHBondContact CD-OE1 3.48Å; R70-E102 IonicContact CZ-OE2 2.94Å; R70-E102 IonicContact NH1-OE1 3.79Å; R70-E102 PolarHBondContact NH1-OE1 3.49Å; R70-E102 IonicContact NH1-OE2 2.67Å; R70-E102 PolarHBondContact NH1-OE2 3.35Å; Y74-E102 HydrophobicContact CE2-CG 4.09Å; Y74-E102 WeakPolarHBondContact CE2-OE1 3.43Å; Y74-E102 PolarHBondContact OH-OE1 3.08Å; K98-E102 PolarHBondContact O-N 3.36Å; T100-E102 PolarHBondContact O-N 2.99Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å
103V98.5Very high97.9Very high0 Ų052.5 Ų52.50%027%0.269CS..Hα-helixtrans-62.7-41.8-179.6170.30000111.1V11 I80 M82 W99 T100 H105 F106 C107 I112V11-V103 HydrophobicContact CG2-CG2 3.87Å; I80-V103 HydrophobicContact CB-CG1 4.37Å; I80-V103 HydrophobicContact CD1-CG1 4.27Å; I80-V103 HydrophobicContact CG1-CG1 3.8Å; I80-V103 HydrophobicContact CG2-CG1 4.19Å; I80-V103 HydrophobicContact CG2-CG2 4.2Å; M82-V103 HydrophobicContact CE-CB 3.83Å; M82-V103 HydrophobicContact CE-CG1 4.26Å; M82-V103 HydrophobicContact CE-CG2 3.67Å; W99-V103 WeakPolarHBondContact O-CB 3.45Å; W99-V103 WeakPolarHBondContact O-CG2 3.42Å; W99-V103 PolarHBondContact O-N 3.41Å; T100-V103 PolarHBondContact O-N 3.34Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å; V103-F106 PolarHBondContact O-N 3.31Å; V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å
104K97.8Very high97.9Very high105 Ų10547.3 Ų47.346%0.45725%0.245SC..Hα-helixtrans-67.3-27.6177.8-73.8-175.6177.6175.30112.7T100 P101 E102 P108 I151T100-K104 HydrophobicContact CG2-CD 3.78Å; T100-K104 HydrophobicContact CG2-CG 4.22Å; T100-K104 VanDerWaalsContact O-CB 3.3Å; T100-K104 WeakPolarHBondContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CG 3.37Å; T100-K104 PolarHBondContact O-N 2.9Å; P101-K104 PolarHBondContact O-N 3.34Å; E102-K104 VanDerWaalsContact C-N 3.35Å; E102-K104 PolarHBondContact O-N 2.89Å; K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å
105H97.8Very high97.9Very high139 Ų13945.1 Ų45.164%0.64423%0.233SC*.Hα-helixtrans-68.7-49.2174.8-179.179.4000111.9P101 E102 V103P101-H105 WeakPolarHBondContact O-CB 3.39Å; P101-H105 PolarHBondContact O-N 2.95Å; E102-H105 WeakPolarHBondContact O-CB 3.2Å; E102-H105 PolarHBondContact O-N 3.42Å; E102-H105 VanDerWaalsContact O-N 3.13Å; V103-H105 VanDerWaalsContact C-N 3.26Å; V103-H105 PolarHBondContact O-N 2.95Å
106F98Very high97.9Very high94 Ų9445.1 Ų45.141%0.41223%0.233SC..Hα-helixtrans-90.5-26.1-174.9-65.8-73.1000114.4P71 Y74 E102 V103 P108P71-F106 HydrophobicContact CB-CD1 4.08Å; P71-F106 HydrophobicContact CB-CD2 4.1Å; P71-F106 HydrophobicContact CB-CE1 3.7Å; P71-F106 HydrophobicContact CB-CE2 3.73Å; P71-F106 HydrophobicContact CB-CG 4.28Å; P71-F106 HydrophobicContact CB-CZ 3.52Å; P71-F106 HydrophobicContact CG-CD2 4.23Å; P71-F106 HydrophobicContact CG-CE1 4.29Å; P71-F106 HydrophobicContact CG-CE2 3.55Å; P71-F106 HydrophobicContact CG-CZ 3.59Å; Y74-F106 HydrophobicContact CD2-CB 3.31Å; Y74-F106 HydrophobicContact CD2-CD1 4.41Å; Y74-F106 AromaticContact CD2-CD2 3.59Å; Y74-F106 HydrophobicContact CD2-CD2 3.59Å; Y74-F106 AromaticContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CD2-CG 3.53Å; Y74-F106 HydrophobicContact CE2-CB 4.12Å; Y74-F106 AromaticContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CD2 3.66Å; Y74-F106 HydrophobicContact CE2-CE2 4.43Å; Y74-F106 HydrophobicContact CE2-CG 4.11Å; Y74-F106 HydrophobicContact CG-CB 3.96Å; E102-F106 HydrophobicContact CG-CD2 3.96Å; E102-F106 HydrophobicContact CG-CE2 3.99Å; E102-F106 VanDerWaalsContact O-CD2 3.29Å; E102-F106 WeakPolarHBondContact O-CD2 3.49Å; E102-F106 PolarHBondContact O-N 2.92Å; E102-F106 VanDerWaalsContact O-N 3.14Å; V103-F106 PolarHBondContact O-N 3.31Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
107C97.2Very high97.9Very high7 Ų744.2 Ų44.25%0.04723%0.227CC..  trans-129.152.4-173.1-63.80000112.4V103 N109 V110V103-C107 HydrophobicContact CG1-CB 4.15Å; V103-C107 CarbonylContact O-C 3.53Å; V103-C107 VanDerWaalsContact O-CA 3.25Å; V103-C107 WeakPolarHBondContact O-CA 3.38Å; V103-C107 VanDerWaalsContact O-CB 3.24Å; V103-C107 WeakPolarHBondContact O-CB 3.42Å; V103-C107 PolarHBondContact O-N 2.81Å; C107-N109 PolarHBondContact O-N 2.8Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å
108P94.3Very high98Very high90 Ų9040.1 Ų40.158%0.58421%0.207SC*.THydrogen-bonded Turntrans-60.2-22.4-16622.8-35.4000116K104 F106K104-P108 WeakPolarHBondContact O-CA 3.24Å; K104-P108 WeakPolarHBondContact O-CB 3.36Å; F106-P108 VanDerWaalsContact C-CD 3.46Å
109N93.1Very high98Very high143 Ų14341.6 Ų41.677%0.76521%0.213SC*.THydrogen-bonded Turntrans-119.111.8-178-59.1-61.2000113.1C107C107-N109 PolarHBondContact O-N 2.8Å
110V98Very high98Very high30 Ų3044 Ų4418%0.18223%0.226CC..SBendtrans-89129.3-178.8-178.40000108.5T77 I80 C107T77-V110 HydrophobicContact CG2-CG1 4.01Å; T77-V110 WeakPolarHBondContact O-CG2 3.37Å; I80-V110 HydrophobicContact CG1-CB 4.48Å; I80-V110 HydrophobicContact CG1-CG1 3.87Å; C107-V110 HydrophobicContact CB-CB 3.83Å; C107-V110 HydrophobicContact CB-CG2 3.63Å; C107-V110 PolarHBondContact O-N 3.18Å; C107-V110 VanDerWaalsContact O-N 3.09Å
111P98.5Very high98Very high20 Ų2044.9 Ų44.913%0.1323%0.23CC..  trans-62.8138.9177.126.3-34.2000111D78 V79 I80 F154 A177 A181D78-P111 WeakPolarHBondContact O-CD 3.38Å; V79-P111 HydrophobicContact CB-CG 4.32Å; V79-P111 HydrophobicContact CG2-CG 4.24Å; I80-P111 PolarHBondContact N-O 2.64Å; P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; P111-A181 HydrophobicContact CG-CB 4.23Å
112I98.9Very high98Very high12 Ų1243.2 Ų43.26%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-107.4128.8176.6-62.1166.4000108.3I80 M82 V103 I151 A153 F154I80-I112 HydrophobicContact CB-CG1 4.13Å; I80-I112 HydrophobicContact CG2-CG1 4.38Å; I80-I112 HydrophobicContact CG2-CG2 4.48Å; M82-I112 HydrophobicContact CB-CG2 3.71Å; M82-I112 HydrophobicContact CE-CD1 3.99Å; M82-I112 HydrophobicContact CE-CG2 4.1Å; M82-I112 HydrophobicContact SD-CG2 4.29Å; V103-I112 HydrophobicContact CG1-CD1 3.77Å; V103-I112 HydrophobicContact CG1-CG1 4Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; I112-F154 PolarHBondContact O-N 3.15Å
113I98.9Very high98Very high0 Ų047.5 Ų47.50%024%0.239CC..EExtended strand (participates in β ladder)trans-100.9120.8162.6-48.6-54.2000107.2V79 I80 L81 M82 V115 F154 M173 A174 A177V79-I113 HydrophobicContact CG2-CG1 4.16Å; I80-I113 PolarHBondContact O-N 2.87Å; L81-I113 HydrophobicContact CD2-CB 3.71Å; L81-I113 HydrophobicContact CD2-CG1 4.09Å; L81-I113 HydrophobicContact CD2-CG2 4.25Å; M82-I113 PolarHBondContact N-O 2.83Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; I113-A177 HydrophobicContact CD1-CB 4.04Å
114L99Very high98Very high0 Ų050.3 Ų50.30%025%0.254CS..EExtended strand (participates in β ladder)trans-80.8129.9170.9-174.667.7000108.7M82 F84 I95 G144 M147 A148 I151 A153 G155 Y156 M157M82-L114 HydrophobicContact CB-CD1 4.47Å; M82-L114 HydrophobicContact CG-CD1 4.44Å; M82-L114 CarbonylContact O-C 3.59Å; M82-L114 WeakPolarHBondContact O-CA 3.4Å; M82-L114 WeakPolarHBondContact O-CD1 3.39Å; F84-L114 HydrophobicContact CD1-CD1 3.98Å; F84-L114 HydrophobicContact CD1-CG 4.19Å; F84-L114 HydrophobicContact CE1-CD1 4.31Å; F84-L114 HydrophobicContact CE1-CD2 4.16Å; F84-L114 HydrophobicContact CE1-CG 4.01Å; I95-L114 HydrophobicContact CD1-CD1 3.8Å; I95-L114 HydrophobicContact CG1-CD1 4.07Å; I95-L114 HydrophobicContact CG2-CD1 3.87Å; L114-G144 WeakPolarHBondContact CD2-O 3.12Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; L114-A153 HydrophobicContact CB-CB 4.35Å; L114-G155 PolarHBondContact N-O 2.96Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; L114-M157 PolarHBondContact O-N 2.89Å
115V99Very high98Very high0 Ų052.1 Ų52.10%026%0.264CS..EExtended strand (participates in β ladder)trans-125.1120.3-176.7-173.50000110.7L21 L81 M82 C83 F84 I113 N117 M157 V170L21-V115 HydrophobicContact CD2-CG1 4.24Å; L81-V115 HydrophobicContact CD2-CG2 3.97Å; M82-V115 PolarHBondContact O-N 2.93Å; C83-V115 WeakPolarHBondContact CA-O 3.34Å; F84-V115 WeakPolarHBondContact CD1-O 3.36Å; F84-V115 PolarHBondContact N-O 2.84Å; I113-V115 HydrophobicContact CG2-CG2 4.05Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å
116G99Very high98Very high0 Ų050.5 Ų50.50%026%0.256CS..EExtended strand (participates in β ladder)trans-87.5102.716800000110.7F84 M157 E158 C159F84-G116 VanDerWaalsContact CZ-CA 3.41Å; G116-M157 PolarHBondContact N-O 2.94Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; G116-C159 PolarHBondContact O-N 3.49Å
117N98.9Very high98Very high5 Ų546.9 Ų46.93%0.02724%0.242CC..EExtended strand (participates in β ladder)trans-80.8167.4178.3-72.8-23.7000112.1C16 F84 I86 V115 K119 C159C16-N117 WeakPolarHBondContact O-CB 3.49Å; C16-N117 PolarHBondContact O-ND2 2.88Å; F84-N117 WeakPolarHBondContact O-CB 3.13Å; F84-N117 PolarHBondContact O-N 2.96Å; I86-N117 WeakPolarHBondContact CB-O 3.3Å; I86-N117 WeakPolarHBondContact CG1-O 3.38Å; I86-N117 PolarHBondContact N-O 2.71Å; V115-N117 WeakPolarHBondContact CG1-OD1 3.42Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å
118K98.7Very high98.1Very high54 Ų5452.1 Ų52.124%0.23526%0.261CS..  trans58.240.9176.5-47.2-170.2-153.6152.40113.2A15 S85 D87 D120 L121 C159A15-K118 VanDerWaalsContact O-CE 3.3Å; A15-K118 WeakPolarHBondContact O-CE 3.34Å; A15-K118 PolarHBondContact O-NZ 2.78Å; A15-K118 VanDerWaalsContact O-NZ 3.14Å; S85-K118 WeakPolarHBondContact OG-CD 3.41Å; S85-K118 WeakPolarHBondContact OG-CE 3.3Å; S85-K118 WeakPolarHBondContact OG-CG 3.36Å; S85-K118 PolarHBondContact OG-NZ 3.21Å; S85-K118 VanDerWaalsContact OG-NZ 3.14Å; D87-K118 WeakPolarHBondContact OD1-CD 3.34Å; D87-K118 IonicContact OD1-NZ 3.24Å; D87-K118 PolarHBondContact OD1-NZ 3.46Å; D87-K118 IonicContact OD2-NZ 2.7Å; D87-K118 PolarHBondContact OD2-NZ 2.9Å; K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å
119K98.9Very high98.3Very high68 Ų6855 Ų5530%0.29626%0.26SS..G310 helixtrans-53.8-30.1178.7-175.6-174.3172.2-1630114I86 N117 L121 R122 E158 C159 D165I86-K119 VanDerWaalsContact CD1-CA 3.44Å; I86-K119 HydrophobicContact CD1-CB 3.8Å; I86-K119 HydrophobicContact CD1-CG 4.23Å; N117-K119 VanDerWaalsContact C-N 3.32Å; N117-K119 PolarHBondContact O-N 3.47Å; K119-L121 PolarHBondContact O-N 3.18Å; K119-R122 PolarHBondContact O-N 3.15Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å
120D98.5Very high98.5Very high51 Ų5152 Ų5227%0.27324%0.241SC..G310 helixtrans-59.2-27.517557.5-65.8000113.2K118 R122 S160 K162 T163K118-D120 PolarHBondContact O-N 2.8Å; K118-D120 VanDerWaalsContact O-N 3.11Å; D120-R122 PolarHBondContact O-N 2.83Å; D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; D120-T163 HydrophobicContact CB-CG2 3.99Å
121L98.7Very high98.6Very high29 Ų2951.3 Ų51.315%0.15224%0.236CC..G310 helixtrans-81.8-9.9-177.6-59.2-176.8000114.2D87 K118 K119 N123 D124 T127D87-L121 HydrophobicContact CB-CB 4.07Å; D87-L121 HydrophobicContact CB-CD1 3.75Å; D87-L121 VanDerWaalsContact OD2-CD1 3.29Å; D87-L121 WeakPolarHBondContact OD2-CD1 3.45Å; K118-L121 HydrophobicContact CB-CD1 3.88Å; K118-L121 HydrophobicContact CB-CG 4.15Å; K118-L121 HydrophobicContact CD-CD1 3.75Å; K118-L121 HydrophobicContact CG-CD1 4.45Å; K118-L121 WeakPolarHBondContact O-CB 3.44Å; K118-L121 PolarHBondContact O-N 2.91Å; K119-L121 PolarHBondContact O-N 3.18Å; L121-N123 PolarHBondContact O-N 2.93Å; L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; L121-T127 HydrophobicContact CB-CG2 4.18Å
122R98.5Very high98.5Very high35 Ų3553.2 Ų53.213%0.13225%0.254CS..G310 helixtrans-57.4-37.2178.3-176.3173.3-67.4125.1-4.1112.9I86 K119 D120 R128 P138 V139 E158I86-R122 VanDerWaalsContact CD1-NH2 3.29Å; I86-R122 HydrophobicContact CG2-CB 3.89Å; I86-R122 HydrophobicContact CG2-CG 4.46Å; K119-R122 PolarHBondContact O-N 3.15Å; D120-R122 PolarHBondContact O-N 2.83Å; R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; R122-P138 HydrophobicContact CG-CB 4.33Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å
123N97.3Very high98.5Very high116 Ų11659.2 Ų59.262%0.6228%0.28SS*.G310 helixtrans-1075.2-177.5-63.2-37.4000112.6L121 E125 R128L121-N123 PolarHBondContact O-N 2.93Å; N123-E125 PolarHBondContact O-N 3.17Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å
124D98.4Very high98.4Very high58 Ų5865.9 Ų65.931%0.3131%0.312SS..  trans-73.2123.7178.5176.162.8000110.7L121 H126 T127 R128L121-D124 HydrophobicContact CD2-CB 4.13Å; L121-D124 PolarHBondContact O-N 2.94Å; D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å
125E98.2Very high98.3Very high143 Ų14375.5 Ų75.567%0.66835%0.354SS*.Hα-helixtrans-66.3-32.4-175.6-66.6-173.6168.100112.6N123 R129N123-E125 PolarHBondContact O-N 3.17Å; E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å
126H98.4Very high98.3Very high106 Ų10678.4 Ų78.449%0.49137%0.368SS..Hα-helixtrans-68.4-51.2177.1179.157.9000110.5D124 R128 R129 E130D124-H126 VanDerWaalsContact C-N 3.29Å; D124-H126 PolarHBondContact O-N 3.25Å; D124-H126 WeakPolarHBondContact OD2-CB 3.48Å; D124-H126 PolarHBondContact OD2-N 2.67Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å
127T98.5Very high98.3Very high17 Ų1783.3 Ų83.310%0.10439%0.391CS..Hα-helixtrans-53.7-48.4176.2-58.60000111.6D87 L121 D124 R129 E130 L131 P138D87-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CB-CG2 4.18Å; D124-T127 PolarHBondContact O-N 3.14Å; D124-T127 WeakPolarHBondContact OD2-CB 3.47Å; D124-T127 PolarHBondContact OD2-N 3.15Å; D124-T127 PolarHBondContact OD2-OG1 3.47Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; T127-E130 PolarHBondContact O-N 3.31Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; T127-P138 HydrophobicContact CG2-CG 4.46Å
128R98.6Very high98.3Very high117 Ų11783.6 Ų83.644%0.44239%0.393SS..Hα-helixtrans-60.4-42.1177.3-74.3177.6173.7-166.1-2.8112.8R122 N123 D124 H126 A132 P138R122-R128 VanDerWaalsContact O-CZ 3.31Å; R122-R128 PolarHBondContact O-NE 2.89Å; R122-R128 PolarHBondContact O-NH2 3.01Å; N123-R128 PolarHBondContact OD1-NH2 2.89Å; D124-R128 WeakPolarHBondContact O-CG 3.39Å; D124-R128 PolarHBondContact O-N 3.41Å; H126-R128 VanDerWaalsContact C-N 3.33Å; H126-R128 PolarHBondContact O-N 2.89Å; R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R128-P138 HydrophobicContact CG-CG 3.91Å
129R98.5Very high98.3Very high150 Ų15081.1 Ų81.157%0.56638%0.382SS*.Hα-helixtrans-65.2-41.9177.2-77.9-177.9-64.4-171.91.3112.1E125 H126 T127 A132 K133E125-R129 WeakPolarHBondContact O-CB 3.28Å; E125-R129 VanDerWaalsContact O-CG 3.26Å; E125-R129 WeakPolarHBondContact O-CG 3.49Å; E125-R129 PolarHBondContact O-N 2.89Å; E125-R129 VanDerWaalsContact O-N 3.1Å; E125-R129 PolarHBondContact O-NE 2.75Å; H126-R129 PolarHBondContact O-N 3.42Å; H126-R129 VanDerWaalsContact O-N 3.09Å; T127-R129 VanDerWaalsContact C-N 3.35Å; T127-R129 PolarHBondContact O-N 3.03Å; R129-A132 PolarHBondContact O-N 3.35Å; R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å
130E98.3Very high98.3Very high80 Ų8081.3 Ų81.337%0.37438%0.383SS..Hα-helixtrans-66.2-45.9178.5-65.4-51.1125.800111.7H126 T127 A132 K133H126-E130 IonicContact CE1-OE1 3.52Å; H126-E130 IonicContact ND1-OE1 3.91Å; H126-E130 WeakPolarHBondContact O-CG 3.32Å; H126-E130 PolarHBondContact O-N 2.97Å; T127-E130 PolarHBondContact O-N 3.31Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å
131L98.4Very high98.3Very high16 Ų1681.3 Ų81.38%0.08439%0.386CS..Hα-helixtrans-62.6-38.5175.7-72.5170.6000112.2P89 T127 K133 M134 K135 Q136 P138P89-L131 HydrophobicContact CG-CD2 4.46Å; T127-L131 HydrophobicContact CG2-CD1 3.97Å; T127-L131 PolarHBondContact O-N 3.23Å; L131-K133 PolarHBondContact O-N 3.38Å; L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; L131-K135 PolarHBondContact O-N 3.15Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å
132A98.1Very high98.3Very high61 Ų6184.8 Ų84.850%0.50440%0.401SS..Hα-helixtrans-62.1-29.6178.500000112.9R128 R129 E130 M134 K135 Q136R128-A132 VanDerWaalsContact O-CB 3.25Å; R128-A132 WeakPolarHBondContact O-CB 3.43Å; R128-A132 PolarHBondContact O-N 2.99Å; R129-A132 PolarHBondContact O-N 3.35Å; E130-A132 VanDerWaalsContact C-N 3.32Å; E130-A132 PolarHBondContact O-N 3.27Å; A132-M134 PolarHBondContact O-N 3.39Å; A132-K135 PolarHBondContact O-N 3.5Å; A132-Q136 PolarHBondContact N-O 3.13Å
133K98.1Very high98.3Very high138 Ų13887 Ų8760%0.641%0.413SS*.Hα-helixtrans-60.3-30.2173-64.8173-169.5170.90111.9R129 E130 L131R129-K133 WeakPolarHBondContact O-CG 3.18Å; R129-K133 PolarHBondContact O-N 3.36Å; E130-K133 WeakPolarHBondContact O-CB 3.46Å; E130-K133 PolarHBondContact O-N 3.12Å; E130-K133 WeakPolarHBondContact OE1-CE 3.18Å; E130-K133 IonicContact OE1-NZ 2.66Å; E130-K133 PolarHBondContact OE1-NZ 2.95Å; E130-K133 WeakPolarHBondContact OE2-CE 3.37Å; E130-K133 IonicContact OE2-NZ 2.69Å; E130-K133 PolarHBondContact OE2-NZ 3.38Å; L131-K133 PolarHBondContact O-N 3.38Å
134M96.7Very high98.4Very high139 Ų13981.4 Ų81.469%0.68538%0.383SS*.THydrogen-bonded Turntrans-99.312.2177.4-54.8-47.9-61.700112.9L131 A132 Q136L131-M134 CarbonylContact O-C 3.41Å; L131-M134 WeakPolarHBondContact O-CA 3.45Å; L131-M134 PolarHBondContact O-N 2.88Å; A132-M134 PolarHBondContact O-N 3.39Å; M134-Q136 PolarHBondContact O-N 3.02Å
135K97.5Very high98.4Very high203 Ų20386 Ų8688%0.88340%0.397SS*.THydrogen-bonded Turntrans57.530.2-175.6-53.3178.7-179.4177.30113.5L131 A132L131-K135 PolarHBondContact O-N 3.15Å; A132-K135 PolarHBondContact O-N 3.5Å
136Q98.2Very high98.4Very high60 Ų6084 Ų8428%0.2839%0.39SS..  trans-109.1164.7175.5-73.7-176.3-24.200110.4P89 D90 L131 A132 M134P89-Q136 HydrophobicContact CG-CB 4.22Å; P89-Q136 HydrophobicContact CG-CG 4.46Å; D90-Q136 PolarHBondContact OD1-NE2 3.07Å; L131-Q136 CarbonylContact C-O 3.17Å; L131-Q136 HydrophobicContact CB-CB 4.09Å; L131-Q136 WeakPolarHBondContact CB-O 3.49Å; L131-Q136 HydrophobicContact CD2-CB 3.96Å; L131-Q136 PolarHBondContact O-N 3.07Å; A132-Q136 PolarHBondContact N-O 3.13Å; M134-Q136 PolarHBondContact O-N 3.02Å
137E98.3Very high98.4Very high104 Ų10479.9 Ų79.949%0.48637%0.372SS..  trans-136.3158.4170.961.5179.6160.300109.8P89 K140P89-E137 WeakPolarHBondContact CG-O 3.49Å; E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å
138P98.8Very high98.5Very high10 Ų1079.3 Ų79.37%0.06537%0.368CS..PPolyproline II helixtrans-58.5143.1175.5-22.732.3000112I86 R122 T127 R128 L131 K140I86-P138 HydrophobicContact CG2-CB 4.08Å; I86-P138 CarbonylContact O-C 3.55Å; I86-P138 VanDerWaalsContact O-CA 3.25Å; I86-P138 WeakPolarHBondContact O-CA 3.2Å; R122-P138 HydrophobicContact CG-CB 4.33Å; T127-P138 HydrophobicContact CG2-CG 4.46Å; R128-P138 HydrophobicContact CG-CG 3.91Å; L131-P138 HydrophobicContact CD1-CB 4.35Å; L131-P138 HydrophobicContact CD1-CG 3.79Å; P138-K140 PolarHBondContact O-N 3.35Å
139V98.8Very high98.5Very high2 Ų279.3 Ų79.31%0.01238%0.377CS..PPolyproline II helixtrans-58.6127.7-177.7178.70000111.3F84 I86 P89 L92 R122 E143F84-V139 HydrophobicContact CD2-CG2 4.39Å; F84-V139 HydrophobicContact CE2-CB 3.99Å; F84-V139 HydrophobicContact CE2-CG1 3.7Å; F84-V139 HydrophobicContact CE2-CG2 4.11Å; F84-V139 HydrophobicContact CZ-CG1 4.16Å; I86-V139 PolarHBondContact O-N 3.43Å; P89-V139 HydrophobicContact CB-CG2 4.46Å; P89-V139 HydrophobicContact CG-CG2 4.42Å; L92-V139 HydrophobicContact CB-CG2 4.39Å; L92-V139 HydrophobicContact CD2-CG1 3.77Å; L92-V139 HydrophobicContact CD2-CG2 4.35Å; R122-V139 PolarHBondContact NE-O 3.19Å; R122-V139 PolarHBondContact NH2-O 3.3Å; R122-V139 VanDerWaalsContact NH2-O 3.09Å; V139-E143 HydrophobicContact CG1-CB 4Å
140K98.7Very high98.5Very high73 Ų7380.7 Ų80.732%0.31738%0.382SS..PPolyproline II helixtrans-81.3152.5177.2-58.1175-172153.20111.4E137 P138 E142 E143 G144E137-K140 VanDerWaalsContact CD-CE 3.46Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.68Å; E137-K140 PolarHBondContact OE1-NZ 3.25Å; E137-K140 WeakPolarHBondContact OE2-CE 3.49Å; E137-K140 IonicContact OE2-NZ 3.66Å; P138-K140 PolarHBondContact O-N 3.35Å; K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; K140-G144 PolarHBondContact O-N 3.05Å
141P98.8Very high98.5Very high51 Ų5177.1 Ų77.133%0.33137%0.366SS..Hα-helixtrans-57.4-34-179.9-26.135.6000114.7R145 Y156 E158P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å
142E98.7Very high98.4Very high102 Ų10279.4 Ų79.448%0.47739%0.393SS..Hα-helixtrans-64.2-40.5175.955.8-88.1-154.100112.4K140 G144 R145 D146K140-E142 HydrophobicContact CB-CG 4.08Å; K140-E142 WeakPolarHBondContact CB-OE1 3.34Å; K140-E142 WeakPolarHBondContact CB-OE2 3.26Å; K140-E142 WeakPolarHBondContact CD-OE1 3.15Å; K140-E142 PolarHBondContact O-N 3.43Å; E142-G144 PolarHBondContact O-N 3.14Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å
143E98.8Very high98.5Very high80 Ų8077.5 Ų77.537%0.37438%0.377SS..Hα-helixtrans-65.5-43-179.9-63.2175.394.500111.3L92 V139 K140 R145 D146 M147L92-E143 HydrophobicContact CD2-CB 4.13Å; V139-E143 HydrophobicContact CG1-CB 4Å; K140-E143 HydrophobicContact CB-CG 4.28Å; K140-E143 VanDerWaalsContact CB-OE2 3.32Å; K140-E143 WeakPolarHBondContact CB-OE2 3.48Å; K140-E143 WeakPolarHBondContact CG-OE2 3.13Å; K140-E143 PolarHBondContact N-OE2 2.95Å; K140-E143 PolarHBondContact O-N 2.86Å; K140-E143 VanDerWaalsContact O-N 3.1Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å
144G98.8Very high98.5Very high0 Ų075.4 Ų75.40%037%0.368CS..Hα-helixtrans-64.6-37.6174.200000112.6L114 K140 E142 M147 A148L114-G144 WeakPolarHBondContact CD2-O 3.12Å; K140-G144 PolarHBondContact O-N 3.05Å; E142-G144 PolarHBondContact O-N 3.14Å; G144-M147 PolarHBondContact O-N 2.46Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å
145R98.8Very high98.5Very high155 Ų15569.5 Ų69.559%0.58534%0.343SS*.Hα-helixtrans-67.3-43.4175.9-171.2178.1-59.5-140.1-2.2112.1P141 E142 E143 M147 A148 N149 Y156P141-R145 WeakPolarHBondContact O-CB 3.35Å; P141-R145 PolarHBondContact O-N 2.98Å; P141-R145 VanDerWaalsContact O-N 3.1Å; E142-R145 WeakPolarHBondContact O-CB 3.29Å; E142-R145 PolarHBondContact O-N 3.09Å; E143-R145 VanDerWaalsContact C-N 3.34Å; E143-R145 PolarHBondContact O-N 3.38Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; R145-A148 PolarHBondContact O-N 2.64Å; R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å
146D98.9Very high98.6Very high101 Ų10161.4 Ų61.454%0.5431%0.307SS..Hα-helixtrans-63.7-39.1176.6-72.4-14.8000110.8E142 E143 N149 R150E142-D146 WeakPolarHBondContact O-CB 3.22Å; E142-D146 VanDerWaalsContact O-CG 3.26Å; E142-D146 PolarHBondContact O-N 3.38Å; E143-D146 PolarHBondContact O-N 2.56Å; D146-N149 PolarHBondContact O-N 3.47Å; D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å
147M98.8Very high98.6Very high19 Ų1960.6 Ų60.69%0.09430%0.304CS..Hα-helixtrans-64.1-44.3173.8-17158.176.100112.3L92 I95 P96 L114 E143 G144 R145 N149 R150 I151L92-M147 HydrophobicContact CD1-CB 3.79Å; L92-M147 HydrophobicContact CD1-CE 4.41Å; L92-M147 HydrophobicContact CD1-CG 3.75Å; L92-M147 HydrophobicContact CG-CB 4.47Å; L92-M147 HydrophobicContact CG-CE 4.07Å; L92-M147 HydrophobicContact CG-CG 4.41Å; I95-M147 HydrophobicContact CB-CG 4.22Å; I95-M147 HydrophobicContact CG2-CG 3.89Å; I95-M147 HydrophobicContact CG2-SD 4.34Å; P96-M147 HydrophobicContact CB-SD 4.26Å; P96-M147 VanDerWaalsContact CD-SD 3.5Å; P96-M147 HydrophobicContact CG-CE 3.82Å; P96-M147 HydrophobicContact CG-SD 3.76Å; L114-M147 HydrophobicContact CD2-CB 3.86Å; L114-M147 HydrophobicContact CD2-CG 3.9Å; E143-M147 WeakPolarHBondContact O-CB 2.98Å; E143-M147 PolarHBondContact O-N 2.8Å; G144-M147 PolarHBondContact O-N 2.46Å; R145-M147 VanDerWaalsContact C-N 3.29Å; R145-M147 PolarHBondContact O-N 2.88Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å
148A98.9Very high98.7Very high4 Ų456.8 Ų56.83%0.03329%0.286CS..Hα-helixtrans-58.9-42.7176.900000111.7L114 G144 R145 G152 A153 Y156L114-A148 HydrophobicContact CB-CB 4.15Å; L114-A148 HydrophobicContact CD2-CB 3.89Å; G144-A148 WeakPolarHBondContact O-CB 3.37Å; G144-A148 PolarHBondContact O-N 3.43Å; R145-A148 PolarHBondContact O-N 2.64Å; A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; A148-Y156 HydrophobicContact CB-CG 4.4Å
149N98.7Very high98.7Very high117 Ų11756.3 Ų56.363%0.62628%0.283SS*.Hα-helixtrans-62.4-46.4173.5-68.7-30.3000111.4R145 D146 M147 I151 G152R145-N149 PolarHBondContact O-N 2.96Å; R145-N149 PolarHBondContact O-ND2 3.27Å; D146-N149 PolarHBondContact O-N 3.47Å; M147-N149 VanDerWaalsContact C-N 3.29Å; M147-N149 PolarHBondContact O-N 3.01Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; N149-G152 PolarHBondContact O-N 3.02Å
150R98.6Very high98.7Very high179 Ų17956.2 Ų56.268%0.67528%0.282SS*.Hα-helixtrans-58-41.2-179.5179.7178.8177.1-174.1-2.8112.6D146 M147D146-R150 WeakPolarHBondContact O-CB 3.17Å; D146-R150 PolarHBondContact O-N 2.6Å; M147-R150 WeakPolarHBondContact O-CB 3.37Å; M147-R150 PolarHBondContact O-N 3.41Å; M147-R150 VanDerWaalsContact O-N 3.13Å; M147-R150 HydrophobicContact SD-CB 4.42Å
151I98.4Very high98.7Very high6 Ų653.3 Ų53.33%0.03127%0.272CS..Hα-helixtrans-86.6-10.8-178.371.1175.3000113.3M82 I95 P96 T100 K104 I112 L114 M147 N149 A153M82-I151 HydrophobicContact SD-CD1 3.92Å; I95-I151 HydrophobicContact CG2-CD1 3.81Å; I95-I151 HydrophobicContact CG2-CG2 4.07Å; P96-I151 HydrophobicContact CB-CG2 4.33Å; T100-I151 HydrophobicContact CG2-CB 3.99Å; T100-I151 HydrophobicContact CG2-CG2 4.14Å; T100-I151 WeakPolarHBondContact OG1-CG2 3.42Å; K104-I151 WeakPolarHBondContact CE-O 3.22Å; K104-I151 PolarHBondContact NZ-O 2.9Å; I112-I151 HydrophobicContact CG2-CD1 4.34Å; L114-I151 HydrophobicContact CD1-CD1 4.34Å; M147-I151 WeakPolarHBondContact O-CG1 3.29Å; M147-I151 PolarHBondContact O-N 2.75Å; M147-I151 HydrophobicContact SD-CG2 4.13Å; N149-I151 VanDerWaalsContact C-N 3.32Å; N149-I151 PolarHBondContact O-N 2.77Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å
152G97.7Very high98.6Very high63 Ų6357.4 Ų57.465%0.64928%0.284SS*.THydrogen-bonded Turntrans73.537.8-174.500000112.7A148 N149A148-G152 PolarHBondContact O-N 3.15Å; A148-G152 VanDerWaalsContact O-N 3.15Å; N149-G152 PolarHBondContact O-N 3.02Å
153A98.7Very high98.6Very high21 Ų2156.5 Ų56.517%0.17429%0.286CS..  trans-65.9150.317500000110.9I112 L114 A148 I151 G155I112-A153 HydrophobicContact CG2-CB 4.43Å; I112-A153 CarbonylContact O-C 3.46Å; I112-A153 WeakPolarHBondContact O-CA 3.29Å; I112-A153 WeakPolarHBondContact O-CB 3.3Å; L114-A153 HydrophobicContact CB-CB 4.35Å; A148-A153 HydrophobicContact CB-CB 4.06Å; A148-A153 PolarHBondContact O-N 3.3Å; I151-A153 HydrophobicContact CD1-CB 4.16Å; I151-A153 HydrophobicContact CG1-CB 3.96Å; A153-G155 PolarHBondContact O-N 3.42Å
154F98.1Very high98.6Very high94 Ų9457.1 Ų57.141%0.41229%0.288SS..SBendtrans-66.1-30.6173178.4-82000111.6P111 I112 I113 M173 A177P111-F154 HydrophobicContact CB-CB 4.1Å; P111-F154 HydrophobicContact CB-CD2 4.44Å; P111-F154 HydrophobicContact CB-CG 4.46Å; I112-F154 PolarHBondContact O-N 3.15Å; I113-F154 HydrophobicContact CD1-CB 3.92Å; I113-F154 HydrophobicContact CD1-CD1 3.6Å; I113-F154 HydrophobicContact CD1-CG 4.14Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å
155G98.3Very high98.5Very high15 Ų1560.6 Ų60.616%0.15531%0.306CS..EExtended strand (participates in β ladder)trans-168.6168.7175.800000112.9L114 A153L114-G155 PolarHBondContact N-O 2.96Å; A153-G155 PolarHBondContact O-N 3.42Å
156Y98.9Very high98.5Very high34 Ų3453.5 Ų53.513%0.13328%0.282CS..EExtended strand (participates in β ladder)trans-122.4132.6174.5175.2-124.7000109.8F84 L114 P141 R145 A148 E158F84-Y156 AromaticContact CE1-CE2 3.77Å; F84-Y156 HydrophobicContact CE1-CE2 3.77Å; F84-Y156 AromaticContact CZ-CE2 3.9Å; F84-Y156 HydrophobicContact CZ-CE2 3.9Å; L114-Y156 HydrophobicContact CB-CD2 4.19Å; L114-Y156 HydrophobicContact CD2-CD2 4.12Å; L114-Y156 HydrophobicContact CG-CD2 4.11Å; L114-Y156 WeakPolarHBondContact O-CA 3.24Å; L114-Y156 WeakPolarHBondContact O-CD2 3.08Å; P141-Y156 WeakPolarHBondContact O-CE1 3.41Å; R145-Y156 HydrophobicContact CB-CD1 4.08Å; A148-Y156 HydrophobicContact CB-CG 4.4Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å
157M98.9Very high98.5Very high43 Ų4349 Ų4921%0.21226%0.258CS..EExtended strand (participates in β ladder)trans-137.5153.7175.2-68-63.6-73.900110.7L114 V115 G116 E169 V170 M173L114-M157 PolarHBondContact O-N 2.89Å; V115-M157 CarbonylContact C-O 3.43Å; V115-M157 VanDerWaalsContact CA-O 3.3Å; V115-M157 WeakPolarHBondContact CA-O 3.32Å; G116-M157 PolarHBondContact N-O 2.94Å; M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å
158E98.9Very high98.5Very high23 Ų2354.9 Ų54.911%0.10728%0.279CS..EExtended strand (participates in β ladder)trans-122.7142.3172.3-63-178.6173.100109.9I86 G116 K119 R122 P141 Y156I86-E158 HydrophobicContact CD1-CB 4.34Å; I86-E158 HydrophobicContact CD1-CG 4.23Å; G116-E158 VanDerWaalsContact O-CA 3.29Å; G116-E158 WeakPolarHBondContact O-CA 3.4Å; K119-E158 HydrophobicContact CB-CB 4.49Å; K119-E158 HydrophobicContact CD-CB 3.87Å; K119-E158 HydrophobicContact CG-CB 4.28Å; R122-E158 IonicContact CZ-OE1 2.75Å; R122-E158 IonicContact CZ-OE2 2.89Å; R122-E158 VanDerWaalsContact CZ-OE2 3.23Å; R122-E158 IonicContact NH1-OE1 2.86Å; R122-E158 IonicContact NH1-OE2 3.23Å; R122-E158 PolarHBondContact NH1-OE2 2.92Å; R122-E158 IonicContact NH2-OE1 2.72Å; R122-E158 PolarHBondContact NH2-OE1 3.36Å; R122-E158 IonicContact NH2-OE2 3.92Å; R122-E158 PolarHBondContact NH2-OE2 3.42Å; P141-E158 VanDerWaalsContact CA-OE1 3.3Å; P141-E158 WeakPolarHBondContact CA-OE1 3.49Å; Y156-E158 HydrophobicContact CE1-CG 3.91Å; Y156-E158 HydrophobicContact CE2-CG 4.18Å; Y156-E158 VanDerWaalsContact CZ-CG 3.46Å; Y156-E158 VanDerWaalsContact OH-CD 3.25Å; Y156-E158 WeakPolarHBondContact OH-CG 3.43Å; Y156-E158 PolarHBondContact OH-OE1 3.49Å
159C98.9Very high98.5Very high0 Ų059 Ų590%030%0.297CS..  trans-148165.2178.868.90000112.4G116 N117 K118 K119 D165 V167 V170G116-C159 PolarHBondContact O-N 3.49Å; N117-C159 CarbonylContact C-O 3.46Å; N117-C159 PolarHBondContact OD1-SG 3.45Å; N117-C159 VanDerWaalsContact OD1-SG 3.41Å; K118-C159 PolarHBondContact N-O 2.76Å; K118-C159 VanDerWaalsContact N-O 3.09Å; K119-C159 VanDerWaalsContact CB-O 3.29Å; K119-C159 WeakPolarHBondContact CB-O 3.38Å; K119-C159 PolarHBondContact N-O 2.76Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; C159-V170 HydrophobicContact CB-CG2 4.05Å
160S98.8Very high98.5Very high1 Ų153.4 Ų53.41%0.00727%0.268CS..  trans-126.2114.2165.6175.30000109D120 K162 T163 K164 D165D120-S160 VanDerWaalsContact CG-OG 3.23Å; D120-S160 VanDerWaalsContact OD1-CB 3.22Å; D120-S160 WeakPolarHBondContact OD1-CB 3.35Å; D120-S160 PolarHBondContact OD1-OG 3.1Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å
161A98.6Very high98.5Very high12 Ų1244.9 Ų44.910%0.09924%0.235CC..THydrogen-bonded Turntrans-60.4-33.5169.100000111.3C20 V24 F30C20-A161 HydrophobicContact CB-CB 3.89Å; V24-A161 HydrophobicContact CB-CB 4.37Å; V24-A161 HydrophobicContact CG2-CB 3.98Å; V24-A161 WeakPolarHBondContact CG2-O 3.42Å; F30-A161 HydrophobicContact CD2-CB 4.04Å; F30-A161 HydrophobicContact CE2-CB 4.01Å
162K97.8Very high98.5Very high136 Ų13647 Ų4759%0.59125%0.245SC*.THydrogen-bonded Turntrans-66.8-42.4-177.9-172.8-179.5-179.2-177.80112.5F30 D120 S160F30-K162 HydrophobicContact CD2-CB 4.28Å; F30-K162 HydrophobicContact CE2-CB 3.95Å; F30-K162 HydrophobicContact CZ-CB 4.17Å; F30-K162 HydrophobicContact CZ-CG 4.46Å; D120-K162 WeakPolarHBondContact OD2-CD 3.25Å; S160-K162 PolarHBondContact O-N 3.2Å; S160-K162 PolarHBondContact OG-N 3.48Å
163T98Very high98.6Very high83 Ų8346 Ų4651%0.50922%0.224SC..THydrogen-bonded Turntrans-98.9-3.318068.60000113.4D120 S160 D165D120-T163 HydrophobicContact CB-CG2 3.99Å; S160-T163 VanDerWaalsContact CB-OG1 3.26Å; S160-T163 WeakPolarHBondContact CB-OG1 3.2Å; S160-T163 PolarHBondContact O-N 3.28Å; S160-T163 PolarHBondContact OG-N 3.48Å; S160-T163 VanDerWaalsContact OG-N 3.15Å; S160-T163 PolarHBondContact OG-OG1 3.11Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å
164K98.2Very high98.6Very high94 Ų9445 Ų4541%0.40922%0.216SC..  trans64.23.1-171.4-51-176.6176.9-175.40114.8V24 D28 S160 G166 V167V24-K164 HydrophobicContact CG1-CG 3.93Å; D28-K164 PolarHBondContact O-NZ 2.97Å; D28-K164 WeakPolarHBondContact OD1-CE 3.39Å; D28-K164 IonicContact OD1-NZ 2.93Å; D28-K164 PolarHBondContact OD1-NZ 2.92Å; D28-K164 IonicContact OD2-NZ 3.71Å; D28-K164 PolarHBondContact OD2-NZ 2.72Å; S160-K164 CarbonylContact O-C 3.47Å; S160-K164 WeakPolarHBondContact O-CA 3.32Å; S160-K164 PolarHBondContact O-N 2.72Å; K164-G166 PolarHBondContact O-N 3.27Å; K164-V167 PolarHBondContact O-N 3.24Å
165D98.7Very high98.6Very high72 Ų7240.5 Ų40.539%0.38520%0.196SC..THydrogen-bonded Turntrans-62.1126.3177.9179.838000111.1K119 C159 S160 T163 V167K119-D165 WeakPolarHBondContact CD-OD2 3.42Å; K119-D165 WeakPolarHBondContact CE-OD2 3.47Å; K119-D165 IonicContact NZ-OD1 3.7Å; K119-D165 IonicContact NZ-OD2 2.72Å; K119-D165 PolarHBondContact NZ-OD2 3.33Å; C159-D165 CarbonylContact C-O 3.55Å; C159-D165 WeakPolarHBondContact CA-O 3.48Å; C159-D165 VanDerWaalsContact CB-O 3.24Å; C159-D165 WeakPolarHBondContact CB-O 3.36Å; S160-D165 PolarHBondContact N-O 2.92Å; S160-D165 PolarHBondContact O-N 2.89Å; T163-D165 PolarHBondContact O-N 3.09Å; T163-D165 WeakPolarHBondContact OG1-CB 3.42Å; T163-D165 PolarHBondContact OG1-N 3.05Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å
166G98.7Very high98.6Very high7 Ų743.4 Ų43.47%0.07220%0.202CC..THydrogen-bonded Turntrans72.7-3.5176.100000116K164 E169 V170K164-G166 PolarHBondContact O-N 3.27Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å
167V98.8Very high98.5Very high7 Ų741.8 Ų41.84%0.04220%0.196CC..Hα-helixtrans-62.3-50.8-174.3170.20000110.5L21 V24 F25 C159 K164 D165 E169 V170 F171L21-V167 HydrophobicContact CD1-CB 4.32Å; L21-V167 HydrophobicContact CD1-CG1 3.91Å; L21-V167 HydrophobicContact CD1-CG2 3.99Å; V24-V167 HydrophobicContact CG1-CG1 4.25Å; V24-V167 HydrophobicContact CG1-CG2 4.27Å; F25-V167 HydrophobicContact CB-CG1 3.9Å; C159-V167 HydrophobicContact CB-CG2 4.38Å; K164-V167 PolarHBondContact O-N 3.24Å; D165-V167 PolarHBondContact O-N 3.1Å; D165-V167 VanDerWaalsContact O-N 3.15Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å
168R98.1Very high98.5Very high142 Ų14239.8 Ų39.854%0.53619%0.186SC..Hα-helixtrans-62.8-42.3-177.5-176.3177176.9118.12.1111.2V170 F171 E172R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å
169E98.7Very high98.4Very high90 Ų9040.6 Ų40.642%0.42119%0.191SC..Hα-helixtrans-63.3-34.1-177.7-62.984.8164.500112.2M157 G166 V167 E172 M173M157-E169 HydrophobicContact CE-CB 3.47Å; M157-E169 VanDerWaalsContact CE-CB 3.47Å; G166-E169 WeakPolarHBondContact CA-OE2 3.38Å; G166-E169 PolarHBondContact O-N 2.7Å; V167-E169 VanDerWaalsContact C-N 3.32Å; V167-E169 PolarHBondContact O-N 3.22Å; E169-E172 PolarHBondContact O-N 3Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å
170V98.9Very high98.1Very high0 Ų046.3 Ų46.30%022%0.218CC..Hα-helixtrans-58.8-49.1171.3168.30000110.8L21 L81 V115 M157 C159 G166 V167 R168 M173 A174L21-V170 HydrophobicContact CD2-CG1 4.38Å; L81-V170 HydrophobicContact CD1-CG1 3.9Å; L81-V170 HydrophobicContact CD2-CG1 3.94Å; V115-V170 HydrophobicContact CG1-CG1 4.35Å; V115-V170 HydrophobicContact CG1-CG2 4.01Å; V115-V170 HydrophobicContact CG2-CG1 3.81Å; V115-V170 HydrophobicContact CG2-CG2 4.49Å; M157-V170 HydrophobicContact CB-CG2 3.72Å; C159-V170 HydrophobicContact CB-CG2 4.05Å; G166-V170 WeakPolarHBondContact O-CG2 3.33Å; G166-V170 PolarHBondContact O-N 2.79Å; G166-V170 VanDerWaalsContact O-N 3.17Å; V167-V170 WeakPolarHBondContact O-CB 3.5Å; V167-V170 PolarHBondContact O-N 2.83Å; R168-V170 VanDerWaalsContact C-N 3.29Å; R168-V170 PolarHBondContact O-N 2.78Å; V170-M173 PolarHBondContact O-N 2.66Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å
171F98.8Very high97.4Very high0 Ų048 Ų480%023%0.232CC..Hα-helixtrans-74.2-30.7-178.7-68.4-84.7000112.8L8 L21 L22 F25 I46 L55 L57 L81 V167 R168 T175L8-F171 HydrophobicContact CD1-CD1 3.94Å; L8-F171 HydrophobicContact CD1-CE1 4.07Å; L21-F171 HydrophobicContact CD1-CE2 3.85Å; L21-F171 HydrophobicContact CD1-CZ 4.44Å; L21-F171 HydrophobicContact CG-CE2 3.95Å; L21-F171 HydrophobicContact CG-CZ 4.02Å; L22-F171 HydrophobicContact CD2-CE1 3.94Å; L22-F171 HydrophobicContact CD2-CZ 3.89Å; F25-F171 HydrophobicContact CB-CD2 3.7Å; F25-F171 HydrophobicContact CB-CE1 4.49Å; F25-F171 HydrophobicContact CB-CE2 3.28Å; F25-F171 HydrophobicContact CB-CG 4.49Å; F25-F171 HydrophobicContact CB-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CB 4.48Å; F25-F171 AromaticContact CD1-CD1 3.6Å; F25-F171 HydrophobicContact CD1-CD1 3.6Å; F25-F171 AromaticContact CD1-CD2 3.73Å; F25-F171 HydrophobicContact CD1-CD2 3.73Å; F25-F171 AromaticContact CD1-CE1 3.62Å; F25-F171 HydrophobicContact CD1-CE1 3.62Å; F25-F171 AromaticContact CD1-CE2 3.8Å; F25-F171 HydrophobicContact CD1-CE2 3.8Å; F25-F171 AromaticContact CD1-CG 3.65Å; F25-F171 HydrophobicContact CD1-CG 3.65Å; F25-F171 AromaticContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD1-CZ 3.73Å; F25-F171 HydrophobicContact CD2-CB 4.07Å; F25-F171 AromaticContact CD2-CD2 3.38Å; F25-F171 HydrophobicContact CD2-CD2 3.38Å; F25-F171 AromaticContact CD2-CE2 3.95Å; F25-F171 HydrophobicContact CD2-CE2 3.95Å; F25-F171 AromaticContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CD2-CG 3.74Å; F25-F171 HydrophobicContact CE1-CB 4.08Å; F25-F171 AromaticContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD1 3.59Å; F25-F171 HydrophobicContact CE1-CD2 4.19Å; F25-F171 HydrophobicContact CE1-CE1 4.05Å; F25-F171 AromaticContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE1-CG 3.67Å; F25-F171 HydrophobicContact CE2-CB 3.65Å; F25-F171 AromaticContact CE2-CD2 3.89Å; F25-F171 HydrophobicContact CE2-CD2 3.89Å; F25-F171 AromaticContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CE2-CG 3.77Å; F25-F171 HydrophobicContact CG-CB 4.47Å; F25-F171 HydrophobicContact CG-CD1 4.08Å; F25-F171 AromaticContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CD2 3.3Å; F25-F171 HydrophobicContact CG-CE1 4.13Å; F25-F171 AromaticContact CG-CE2 3.4Å; F25-F171 HydrophobicContact CG-CE2 3.4Å; F25-F171 AromaticContact CG-CG 3.68Å; F25-F171 HydrophobicContact CG-CG 3.68Å; F25-F171 AromaticContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CG-CZ 3.81Å; F25-F171 HydrophobicContact CZ-CB 3.66Å; F25-F171 HydrophobicContact CZ-CD1 4.09Å; F25-F171 HydrophobicContact CZ-CD2 4.27Å; F25-F171 AromaticContact CZ-CG 3.74Å; F25-F171 HydrophobicContact CZ-CG 3.74Å; I46-F171 HydrophobicContact CD1-CB 4Å; L55-F171 HydrophobicContact CD1-CB 4.5Å; L55-F171 HydrophobicContact CD1-CD1 4.19Å; L57-F171 HydrophobicContact CD2-CD1 4.31Å; L57-F171 HydrophobicContact CD2-CE1 3.97Å; L81-F171 HydrophobicContact CD1-CE1 3.98Å; L81-F171 HydrophobicContact CD1-CZ 4.2Å; V167-F171 HydrophobicContact CG1-CD2 4.4Å; V167-F171 HydrophobicContact CG1-CE2 4.17Å; V167-F171 WeakPolarHBondContact O-CD2 3.43Å; R168-F171 PolarHBondContact O-N 3.09Å; R168-F171 VanDerWaalsContact O-N 3.08Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å
172E98.6Very high95.9Very high50 Ų5058.7 Ų58.723%0.23427%0.269CS..Hα-helixtrans-63.8-44.8171-70.7-179177.200111.2I46 V48 R168 E169 T175 R176I46-E172 HydrophobicContact CD1-CG 3.8Å; V48-E172 HydrophobicContact CG2-CB 4.34Å; V48-E172 HydrophobicContact CG2-CG 4.17Å; R168-E172 HydrophobicContact CG-CG 4.23Å; R168-E172 IonicContact CZ-OE1 3.32Å; R168-E172 IonicContact NE-OE1 3.24Å; R168-E172 PolarHBondContact NE-OE1 3.38Å; R168-E172 IonicContact NH2-OE1 2.88Å; R168-E172 WeakPolarHBondContact O-CG 3.43Å; R168-E172 PolarHBondContact O-N 3.35Å; E169-E172 PolarHBondContact O-N 3Å; E172-T175 PolarHBondContact O-N 2.78Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å
173M98.7Very high94.1Very high41 Ų4161 Ų6120%0.20228%0.275CS..Hα-helixtrans-63.5-46.2175.5-176178.7-7200111.8I113 F154 M157 E169 V170 T175 R176 A177I113-M173 HydrophobicContact CD1-CG 3.84Å; I113-M173 HydrophobicContact CD1-SD 4.1Å; I113-M173 HydrophobicContact CG1-CG 4.47Å; I113-M173 HydrophobicContact CG2-CG 4.49Å; I113-M173 HydrophobicContact CG2-SD 3.92Å; F154-M173 HydrophobicContact CD1-CG 4.46Å; F154-M173 HydrophobicContact CE1-CG 4.44Å; M157-M173 HydrophobicContact CG-CE 3.52Å; M157-M173 HydrophobicContact CG-SD 3.56Å; M157-M173 VanDerWaalsContact CG-SD 3.56Å; M157-M173 HydrophobicContact SD-CE 3.36Å; M157-M173 WeakPolarHBondContact SD-CE 3.46Å; M157-M173 HydrophobicContact SD-SD 4.26Å; E169-M173 WeakPolarHBondContact O-CB 3.5Å; E169-M173 PolarHBondContact O-N 2.69Å; V170-M173 PolarHBondContact O-N 2.66Å; M173-T175 PolarHBondContact O-N 2.83Å; M173-R176 PolarHBondContact O-N 3.36Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å
174A98.7Very high92.1Very high0 Ų059.6 Ų59.60%028%0.277CS..Hα-helixtrans-61.8-43.8178.600000111.9L8 V79 L81 I113 V170 A177 A178L8-A174 HydrophobicContact CD1-CB 3.91Å; V79-A174 HydrophobicContact CG1-CB 4.24Å; V79-A174 HydrophobicContact CG2-CB 4.04Å; L81-A174 HydrophobicContact CD2-CB 3.78Å; I113-A174 HydrophobicContact CG1-CB 4.04Å; V170-A174 WeakPolarHBondContact O-CB 3.42Å; V170-A174 PolarHBondContact O-N 3.39Å; A174-A177 PolarHBondContact O-N 3.44Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å
175T98.4Very high89.6Confident0 Ų064.9 Ų64.90%030%0.3CS..Hα-helixtrans-63.8-43.8176.7-59.10000111.1I46 V48 V53 F171 E172 M173 A177 A178 L179I46-T175 HydrophobicContact CG2-CG2 4.14Å; V48-T175 HydrophobicContact CB-CG2 3.97Å; V48-T175 HydrophobicContact CG2-CG2 3.7Å; V53-T175 HydrophobicContact CB-CG2 3.99Å; V53-T175 HydrophobicContact CG1-CG2 4.06Å; V53-T175 HydrophobicContact CG2-CG2 3.81Å; F171-T175 WeakPolarHBondContact O-CB 3.37Å; F171-T175 PolarHBondContact O-N 2.94Å; F171-T175 PolarHBondContact O-OG1 3.41Å; E172-T175 PolarHBondContact O-N 2.78Å; M173-T175 PolarHBondContact O-N 2.83Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å
176R97.8Very high87.2Confident76 Ų7669.1 Ų69.129%0.28732%0.315SS..Hα-helixtrans-59.6-44.4175.8-172.3174.9-64.3109.8-0.7111.5V48 D49 E172 M173 L179 Q180V48-R176 HydrophobicContact CG1-CB 4.24Å; D49-R176 IonicContact OD1-CZ 3.91Å; D49-R176 IonicContact OD1-NE 3.05Å; D49-R176 IonicContact OD1-NH2 2.95Å; D49-R176 PolarHBondContact OD1-NH2 2.91Å; D49-R176 IonicContact OD2-CZ 2.85Å; D49-R176 IonicContact OD2-NE 2.9Å; D49-R176 PolarHBondContact OD2-NE 3.1Å; D49-R176 IonicContact OD2-NH2 3.68Å; E172-R176 VanDerWaalsContact O-CB 3.29Å; E172-R176 WeakPolarHBondContact O-CB 3.49Å; E172-R176 PolarHBondContact O-N 3.46Å; M173-R176 PolarHBondContact O-N 3.36Å; R176-L179 PolarHBondContact O-N 2.98Å; R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å
177A98.3Very high84.7Confident1 Ų178.5 Ų78.51%0.00835%0.353CS..Hα-helixtrans-61.4-46175.200000111.8V79 P111 I113 F154 M173 A174 T175 L179 Q180 A181V79-A177 HydrophobicContact CG2-CB 4.38Å; P111-A177 HydrophobicContact CB-CB 3.96Å; P111-A177 HydrophobicContact CG-CB 4Å; I113-A177 HydrophobicContact CD1-CB 4.04Å; F154-A177 HydrophobicContact CD1-CB 3.62Å; F154-A177 HydrophobicContact CD2-CB 4.03Å; F154-A177 HydrophobicContact CE1-CB 3.7Å; F154-A177 HydrophobicContact CE2-CB 4.1Å; F154-A177 HydrophobicContact CG-CB 3.8Å; F154-A177 HydrophobicContact CZ-CB 3.95Å; M173-A177 WeakPolarHBondContact O-CB 3.25Å; M173-A177 PolarHBondContact O-N 3.42Å; A174-A177 PolarHBondContact O-N 3.44Å; T175-A177 VanDerWaalsContact C-N 3.34Å; T175-A177 PolarHBondContact O-N 3.2Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å; A177-Q180 PolarHBondContact O-N 3.21Å; A177-A181 PolarHBondContact O-N 3.3Å
178A97.6Very high82.1Confident0 Ų084 Ų840%039%0.393CS..Hα-helixtrans-62-34.9178.200000113.1K6 D78 V79 A174 T175K6-A178 HydrophobicContact CB-CB 4.34Å; K6-A178 HydrophobicContact CD-CB 4Å; K6-A178 VanDerWaalsContact CE-O 3.27Å; K6-A178 WeakPolarHBondContact CE-O 3.45Å; K6-A178 HydrophobicContact CG-CB 4.13Å; K6-A178 PolarHBondContact NZ-O 3.41Å; D78-A178 HydrophobicContact CB-CB 4.04Å; V79-A178 HydrophobicContact CB-CB 3.94Å; V79-A178 HydrophobicContact CG1-CB 3.91Å; A174-A178 WeakPolarHBondContact O-CB 3.2Å; A174-A178 PolarHBondContact O-N 2.94Å; T175-A178 WeakPolarHBondContact O-CB 3.26Å; T175-A178 PolarHBondContact O-N 3.21Å
179L96.2Very high79.6Confident41 Ų4180.3 Ų80.322%0.21540%0.399CS..Hα-helixtrans-75.5-32.9177.4-72.4171.4000112.8I4 K51 V53 T175 R176 A177I4-L179 HydrophobicContact CD1-CD2 4.41Å; I4-L179 HydrophobicContact CG2-CD2 3.81Å; K51-L179 HydrophobicContact CD-CD1 4.16Å; K51-L179 HydrophobicContact CD-CD2 4.5Å; V53-L179 HydrophobicContact CG2-CD1 4.09Å; V53-L179 HydrophobicContact CG2-CD2 4.12Å; V53-L179 HydrophobicContact CG2-CG 4.45Å; T175-L179 HydrophobicContact CG2-CD1 3.95Å; T175-L179 HydrophobicContact CG2-CG 4.32Å; T175-L179 WeakPolarHBondContact O-CB 3.41Å; T175-L179 VanDerWaalsContact O-CG 3.24Å; T175-L179 WeakPolarHBondContact O-CG 3.49Å; T175-L179 PolarHBondContact O-N 2.96Å; R176-L179 PolarHBondContact O-N 2.98Å; A177-L179 VanDerWaalsContact C-N 3.3Å; A177-L179 PolarHBondContact O-N 3.22Å
180Q92.5Very high76.9Confident119 Ų11981.9 Ų81.956%0.55642%0.418SS*.Hα-helixtrans-80.3-26.7178-70.217818.300112.7R176 A177 R182R176-Q180 VanDerWaalsContact O-CG 3.3Å; R176-Q180 WeakPolarHBondContact O-CG 3.15Å; R176-Q180 PolarHBondContact O-N 3.29Å; A177-Q180 PolarHBondContact O-N 3.21Å; Q180-R182 PolarHBondContact O-N 3.02Å
181A85.4Confident74.2Confident36 Ų3689 Ų8930%0.29846%0.455SS..  trans-59.6109.5177.700000110.6P111 A177 R183P111-A181 HydrophobicContact CG-CB 4.23Å; A177-A181 PolarHBondContact O-N 3.3Å; A181-R183 PolarHBondContact O-N 2.92Å
182R67.7Low71.8Confident237 Ų23795.5 Ų95.589%0.89450%0.495SS*.  trans-64122.3166.8-74.7-179.2153-170-5.8106.9Q180 G184Q180-R182 PolarHBondContact O-N 3.02Å; R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å
183R59.7Low69.2Low185 Ų185103.8 Ų103.870%0.69854%0.54SS*.  trans-55.3106167.4-66.8-178.899.9161.97106.2A181 K185A181-R183 PolarHBondContact O-N 2.92Å; R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å
184G55Low67.7Low54 Ų54107 Ų10756%0.55756%0.556SS**  trans-48.8126.7170.800000106.3R182 K186R182-G184 VanDerWaalsContact C-N 3.35Å; R182-G184 PolarHBondContact O-N 3.23Å; G184-K186 PolarHBondContact O-N 2.92Å
185K46.4Very low66Low204 Ų204112.6 Ų112.689%0.88759%0.586SS**  trans-42.7115.5-179.6-75.3-179.5176.4178.60107.2R183 K187R183-K185 PolarHBondContact O-N 3.27Å; R183-K185 VanDerWaalsContact O-N 3.13Å; K185-K187 PolarHBondContact O-N 2.68Å
186K48.3Very low64.3Low161 Ų161118.8 Ų118.870%0.762%0.618SS**  trans-47.4121.9169.5-81.6-172.2173.7-173.40104.9G184 S188G184-K186 PolarHBondContact O-N 2.92Å; K186-S188 PolarHBondContact O-N 3.19Å
187K46.4Very low62.3Low204 Ų204121.4 Ų121.489%0.88764%0.638SS**  trans-6096.5167.3-79.1-173.9176.6-1800105.4K185 G189K185-K187 PolarHBondContact O-N 2.68Å; K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å
188S44.6Very low60Low124 Ų124128.9 Ų128.987%0.86768%0.677SS**  trans-66.994.6165.552.30000105.6K186K186-S188 PolarHBondContact O-N 3.19Å
189G44.4Very low57.5Low64 Ų64137.5 Ų137.566%0.6672%0.722SS**  trans159.377.2179.200000113.2K187K187-G189 VanDerWaalsContact C-N 3.27Å; K187-G189 PolarHBondContact O-N 3.42Å
190C41.8Very low54.8Low123 Ų123144.4 Ų144.483%0.83176%0.758SS**  trans-123.397133.6-153.50000105.9V192C190-V192 PolarHBondContact O-N 3.1Å
191L43.8Very low51.8Low149 Ų149146.3 Ų146.378%0.7877%0.774SS**  trans-64.4114.8161.4-124.582.5000105L193L191-L193 PolarHBondContact O-N 3.35Å
192V47Very low49.1Very low137 Ų137155.5 Ų155.583%0.8381%0.814SS**  trans-68.9113.9164.1-174.90000105.5C190C190-V192 PolarHBondContact O-N 3.1Å
193L43.6Very low47.4Very low224 Ų224148.1 Ų148.1100%1.17381%0.806SS**  trans-96.70158.3-80169.3000107.6L191L191-L193 PolarHBondContact O-N 3.35Å

Retrieved 193 of 193 residues in 40.6 ms (Link to these results)